smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(CCSCCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1	1682503	MVUSQRSHLJVFDR-KOZSXFMUSA-N	520.269	5.414	50	40	KKGB	
COc1ccc(-n2c(NNC(=O)c3ccncc3Br)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1	1822133	LBHLSRFJPBHIPA-UHFFFAOYSA-N	586.490	5.581	50	40	KKGB	
COc1ccccc1/C=N/NC(=O)[C@H](C)Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1	2096862	GXEJHPVZCRUNNN-JNIZBEHLSA-N	536.661	5.672	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	8429881	NFGMGWBIXJNURP-MHZLTWQESA-N	530.600	5.980	50	40	KKGB	
CCn1c(SCC(=O)N/N=C\c2c3ccccc3cc3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1	9046841	FECLFLRXCUPTDU-MZFJOGFUSA-N	521.690	6.811	50	40	KKGB	
CC1(C)O[C@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)CN1C(=O)CI	12657162	RWFLLQUFBKGYBI-AONLGMNESA-N	513.504	6.188	50	40	KKGB	biogenic
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)s1	16944569	BNIWWVBCJLQPMX-DHRITJCHSA-N	512.016	5.189	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(=O)O)cc2)=C(C#N)[C@@H]1c1cccs1	17466019	JMXFVENWHKJJRD-RUZDIDTESA-N	560.657	5.161	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	19948607	ZOMUUIIRNPRHKG-JFLMPSFJSA-N	504.439	5.462	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2cc(Cl)ccc2C)cc1	20206982	JEKDGSLFYVHHDW-UHFFFAOYSA-N	504.096	5.861	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)cc(Br)c1O	33354740	ZMFSUELLKAZATB-BBUXEPKYSA-N	667.556	7.664	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccccc1F	59333325	VJBKPGLAKQGFGJ-OOAXWGSJSA-N	525.624	5.788	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Br)cc1F	59336330	IXYWCXNVQAKKPS-DHDCSXOGSA-N	507.190	6.848	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	59417176	JSBPFVQOWYFUSJ-MUXKCCDJSA-N	503.433	5.577	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2cccc(Cl)c2C)cc1	59647382	MKLGQIVHZOGBPJ-FABQOPTDSA-N	623.106	5.459	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccccc3)cc2)cc1	59884524	DNCAQEDXFQBQFU-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2Br)c1C	97962717	MBVMJYJLGHUKHJ-XKJRVUDJSA-N	653.165	6.648	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240890	TXKAWGRWMKGDOD-BIZUNTBRSA-N	623.087	5.572	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1	101408647	ZPJGJSJRHLMJFI-MTGNXKKESA-N	594.584	5.283	50	40	KKGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	103873796	UVLWAOMWRSMENQ-AUEPDCJTSA-N	544.652	6.138	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)cc1	103883974	COFYJFMTESRFKX-KQWNVCNZSA-N	536.459	6.227	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1c(Cl)cccc1Cl	104898937	AOCYBKNLJQXEBO-PNQUVVCRSA-N	540.325	5.689	50	40	KKGB	
C[C@]12CC[C@@H](OC(=O)N(CCCl)CCCl)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)N(CCCl)CCCl)CC[C@@H]12	118935686	RWHNPJRLKOXYHE-SZIXCRECSA-N	628.509	7.599	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)c3cccc(NC(=O)[C@H]4[C@H]5C(=O)O[C@H]6[C@@H]5C[C@H]4[C@H]6Br)c3)cc2)c1	138562544	PBAYJYPOUPXKQF-BHIGGBACSA-N	603.513	6.673	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1C	150644019	CAKRPKCEGCIXGY-XODNFHPESA-N	658.705	6.438	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795404	BDFJPLJASNYKDT-KBPBESRZSA-N	886.222	12.211	50	40	KKGB	
CCN(CC)C(=O)C12C[C@@H]3C[C@H](C1)CC(P(=O)(Cl)C14C[C@H]5C[C@H](CC(C(=O)N(CC)CC)(C5)C1)C4)(C3)C2	195528731	SJTXNEPPGHDOAF-QSHPGPLESA-N	551.152	6.918	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408545560	ZWEUCUHEADZEAR-USHMODERSA-N	562.670	5.647	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c(C(=O)OCC)c1C	408547479	XMEWDNGDWADRGC-PXLXIMEGSA-N	599.665	6.348	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551364	KLDDCJLZOKAPNW-PXNMLYILSA-N	681.270	6.468	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551997	QVDVFGIWDKBFHB-GIJQJNRQSA-N	735.341	6.531	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552550	QSXFKKFGJYZAOD-AAPHRLRXSA-N	554.352	6.192	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408553721	PGWDDJLDBMIDSK-WGOQTCKBSA-N	557.679	6.902	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(F)cc1	408567487	FGSHJCHCJQHZOO-FJEPWZHXSA-N	652.551	6.416	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3c(F)cccc3Cl)CC2=O)cc1	408609428	RGZGEBUVGQJMLA-OAHLLOKOSA-N	518.372	5.216	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408610993	VHZZYKLNFZOPLK-GOSISDBHSA-N	514.409	5.467	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OCc1c(F)cccc1Cl	408612127	XOMHYIFESMGOJO-OAHLLOKOSA-N	518.372	5.216	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408645569	SLWSZHWWVAUOJJ-BAGSCIOBSA-N	570.300	6.306	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408685683	PYACCIDSDGYTFI-FPCVCCKLSA-N	634.108	5.381	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1cccs1	408722081	DEOOABLTRCLDEM-JULXIFHMSA-N	538.028	5.368	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408747243	KZTOFXOPNJDVJB-KYHGBAKBSA-N	584.297	6.721	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1	408760952	BITAQIRBGGQTNU-FYJGNVAPSA-N	517.810	7.380	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408783329	NJXPARZYNQNHMN-MWAVMZGNSA-N	526.102	5.990	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccccc1Cl	408784090	RFPXPEPKYPIRIR-YNFMAFFXSA-N	555.778	6.863	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1F	408799597	ZWCHYOFTZMRYSH-RQZCQDPDSA-N	562.766	6.217	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c(OC)cc1Cl	408823165	DAFXJZSRQCMIKQ-DEDYPNTBSA-N	577.862	7.398	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(Cl)c1	408825742	FJWYYVQGBABZQE-QNGOZBTKSA-N	566.466	6.523	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1	408826869	DJJGAYTTWOSRSZ-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408834421	ZOXVWMSLCMHRGA-KEGTUQKMSA-N	788.175	7.323	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408836116	ZHQQNFVUAKSQSB-LPYMAVHISA-N	687.215	9.222	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408837968	AZWKUOSTWRSUPZ-QNVXDBMFSA-N	691.991	8.019	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	408838101	RKGJKAFSZFMNFE-FDAWAROLSA-N	609.060	5.181	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408844645	DWDBWKXXHXREDW-XODNFHPESA-N	552.252	6.506	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccco2)cc1	408845123	OREYAHLJVKDNLC-DAIMOMPDSA-N	558.388	5.677	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845729	RILVTOQFMQNLFZ-ODQASSKESA-N	630.988	9.281	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408863585	POEAGOKDOIZRJO-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c(OC)c1	408865469	CPPREJOOIZPCRC-FSJBWODESA-N	547.438	6.966	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408867476	LAZMIEDUENTPOA-OPBLDSPXSA-N	649.169	5.341	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1ccccc1Cl	408871199	YTGQGOZCEAQLIY-YBFXNURJSA-N	500.223	7.201	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408872666	NTXBVDCCTPCTBB-QNKGDIEWSA-N	571.699	5.627	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1	408874787	AUFJHHIUCGYYEY-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC	408876965	RKBBHRJXPCBVIH-LQKURTRISA-N	550.464	5.136	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408882803	OBRVKBWDOWNFET-CNCDYAKUSA-N	633.941	6.028	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408884240	YBWBQMAYJYJWIV-MZJWZYIUSA-N	581.872	5.106	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1cccc(Cl)c1	408886913	JUTSMLZFJXYRLO-UZWMFBFFSA-N	515.009	5.704	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)o1	408887412	OBAMGGZQWZPJHA-KVSWJAHQSA-N	545.499	5.775	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1	408895785	VSZOBZNFORZKFK-YBFXNURJSA-N	574.258	7.057	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1ccc(I)cc1	408899895	RNZJBLZSVNURBO-LICLKQGHSA-N	549.195	6.723	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1cccc(C)c1	408921370	APIOEXCCZJQXLX-CCVNUDIWSA-N	554.466	6.119	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(OC)c1	408923080	JADOWGQVWHXMST-PGELQFCNSA-N	720.404	6.064	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)cc1	408924861	PAOWJUHMJLOBDA-UZWMFBFFSA-N	566.720	5.846	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(F)cc1	408942166	FWZIREQQTZNENA-MHZLTWQESA-N	734.442	5.815	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccc(Br)cc1	408948887	PYOWGODWXFLLML-HHHXNRCGSA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c(OC)c1	408951275	IHQKKVZZPDZHIL-UIGQDENISA-N	762.985	5.261	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(CC)CC)cc1OCc1ccc(Cl)c(Cl)c1	408954365	ZATHTIBJHKVXSZ-YTTGMZPUSA-N	698.673	6.304	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(I)cc1	408984530	RTIJEFBFAKLHGM-ZDLGFXPLSA-N	637.699	7.149	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccccc3Cl)cc2I)cc1	408995772	NHJXLZWGKCOUQK-KBKYJPHKSA-N	660.633	5.590	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	408997916	PEUZQTXKYOKUCS-ROPCREHHSA-N	645.724	7.645	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1	409005301	HLZLWIFXGWEDMK-RRVKPBQCSA-N	603.856	6.704	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	409006510	OIEPFVUBDAPIMV-LOJUMUKGSA-N	610.619	5.323	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc(OC)c1OC	409019631	KAPHIKNBOOEPFZ-QJOVDYFFSA-N	665.699	5.909	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccccc2)cc1	409027431	CHIDDFKPJXXRLV-AJBULDERSA-N	528.678	5.311	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1	409052711	AALIWKZWCHFOMV-CXUHLZMHSA-N	548.181	6.614	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(OCc2ccc(I)cc2)c1	409063322	KOFGVPZLSXCIJT-JEPNHJGPSA-N	658.540	6.335	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OS(=O)(=O)c1ccccc1	409074583	NBNWVHILLMEXJD-LFIBNONCSA-N	594.814	5.267	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccc(Cl)cc1Cl	409105515	IFFBNXJWCAJAME-DEOSSOPVSA-N	637.257	6.523	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1OCc1cccc(Cl)c1	409119910	UXHXEVVWWZHYBH-XZYGTATASA-N	654.116	5.574	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)cc1Cl	409141844	JECBDXLQOCYUHS-QHCPKHFHSA-N	624.306	6.306	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Br)cc1	409143231	MBMNXQXAFKIBGN-JOCHJYFZSA-N	558.226	5.723	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	409161700	AJTOPXKFOFDDKC-WCMJOSRZSA-N	585.444	5.063	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1Cl	409175800	VBVUHVKRJMALFG-PNQUVVCRSA-N	673.266	5.242	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4C#N)c(I)c3)cc2c1	409187662	SXPPNGBBXMRAOI-FDVSRXAVSA-N	565.367	5.651	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)NCCCc1ccccc1	409246921	LAJMHUQXTLFQQW-JWGURIENSA-N	518.411	5.123	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br	409261307	CSSVMTPRBBXLAY-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1	409272728	RXEBPRHNYMHXOH-FABQOPTDSA-N	596.112	7.297	50	40	KKGB	
CC(=O)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2cc3cc(Cl)ccc3o2)nc2ccccc2c1=O	409286204	YFOTVTMIFILYTF-UHFFFAOYSA-N	502.870	5.179	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)ccc1OC	409305596	WCYYRGBPIWAPPQ-QDTIIGTASA-N	507.801	6.397	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	409312337	KVAXJFUHDDRSFN-MUXKCCDJSA-N	547.833	5.861	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)cc1OCC	409314484	KRBCYFSYCIXVMJ-UHBFCERESA-N	633.337	6.181	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)cc1OCC	409323727	PLFHEIYKWQWZRC-LQNQUEJISA-N	566.452	5.502	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OCC)c2)cc1OC	409326310	JSCIDVZWPNMMKL-UHBFCERESA-N	604.416	5.745	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409361903	DUQLJMUGCPFYFG-UDWIEESQSA-N	566.427	6.167	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	409365583	YUNARCHCPRBAQZ-FJEPWZHXSA-N	506.375	5.883	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(C#N)cc1	409368675	HHKOPKGXEKMNNI-OCKHKDLRSA-N	573.082	7.489	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OCc1ccc(Br)cc1	409369404	MOOQKWRCERSWPV-WYMPLXKRSA-N	569.193	5.388	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccco1	409394756	FLYISVVGPSSBCF-UHFFFAOYSA-N	755.044	9.005	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)cc1OCC	409396083	WFKSZBHAOOYKNZ-UHFFFAOYSA-N	735.429	8.149	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC	409401492	HFLATKZFVONCNE-LJUMEUDFSA-N	627.479	6.432	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1cccc2ccccc12	409407044	YPSMAXVNFPXDMN-GLJXUZQSSA-N	644.684	7.679	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	1529545904	BUAOOEINCYMFMB-RGPUIQDNSA-N	608.720	5.304	50	40	KKGB	
CN([C@@H](c1ccc(C(C)(C)C)cc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C	1857795086	LDRFSVNOZYUAIR-SCAVLVJOSA-N	541.741	7.226	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OS(=O)(=O)c1ccc(C)cc1	2730365	OEKUYGZCNBHQOP-NBVRZTHBSA-N	516.497	5.336	50	40	KKGB	
O=C(CCCl)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@@H]1c1ccccc1	6446814	QJZZYMGDGNXTJA-HSZRJFAPSA-N	534.841	6.264	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2	14152245	JCJYAESGEKHQEW-XDHOZWIPSA-N	518.436	6.386	50	40	KKGB	
N#C/C(=C\c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1	34864708	MAXLONKLLILKKB-XDJHFCHBSA-N	512.551	5.503	50	40	KKGB	
C[C@@H](Oc1nnc(-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc12)c1ccccc1	59228265	CRRMWTXRDGJNLJ-HHHXNRCGSA-N	560.637	8.348	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(C)(=O)=O)cc2)cc1	59883779	FJJRXCKIJUGYGY-AMVVHIIESA-N	553.990	5.163	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1Cl	97951870	XRKYQFQYLTZWEY-VWLOTQADSA-N	540.085	5.523	50	40	KKGB	
CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)c3cccc(Cl)c3n2)cc1	97965727	TUMKZIIAMGYLEB-PTZDRTPLSA-N	603.166	8.821	50	40	KKGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CC(C)(C)C3)c1	98006215	DPTWKHKVOPHQEH-DEOSSOPVSA-N	627.714	6.807	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl	100118566	VOQFDABQSXKAJL-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343405	VXDVJHOBRBUXGZ-FDAWAROLSA-N	609.546	5.519	50	40	KKGB	
COC(=O)CSC(SCC(=O)OC)=C(NC(=O)c1ccc(C)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102579663	MAKNRZCMMOVKBD-UHFFFAOYSA-O	630.748	5.658	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	102807425	PMNBWAYWEGUZSX-HHHXNRCGSA-N	563.510	7.008	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3c(C)cc(C)cc3C)=C(C)N2)cc1	102808361	PIUHDSSQTKBCQZ-SSEXGKCCSA-N	568.743	7.254	50	40	KKGB	
COc1cccc(N/C(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)=C(\C#N)c2nc3ccccc3s2)c1	102930964	UTJZVUQTADTNMU-IUQJTFSOSA-N	553.694	6.864	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1	103741325	UGWJYIFRDDCDFS-MZOFLMDJSA-N	556.009	6.144	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	150385580	HSGRJMKXAREFEI-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	150554919	WYZKAMDMQRAWBP-KBKYJPHKSA-N	736.098	5.918	50	40	KKGB	
Cc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c(C)c1	245241806	PSSXLCREZXGFSL-JEBQAFNWSA-N	508.092	5.928	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3C(F)(F)F)cc2Cl)ccc1OCc1ccccc1	408540478	SHIYPNLMWKDASR-HTVDVWKISA-N	603.424	7.943	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543661	RYEVBCYTHZYLPK-ULJHMMPZSA-N	530.024	6.099	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553463	WPTONTODTXGMMU-ZDLGFXPLSA-N	603.300	7.026	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2Br)cc1	408570430	UYZZPRRVOMLKIW-WKULSOCRSA-N	600.560	5.783	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408611291	VTKUACQJYLQOCX-SFHVURJKSA-N	514.409	5.386	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408661492	XEKKYHXFOZVKRA-ZBWQPJPKSA-N	531.823	5.038	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1	408681530	FMXFFTOJHRGUJV-QXGSTGNESA-N	602.696	5.321	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1cccc(Cl)c1	408710847	PNWUIYIGBSSXGI-XODNFHPESA-N	552.252	6.506	50	40	KKGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)OCc1ccccc1	408738910	WZAJYQYBEBWNIP-CSEMMHHASA-N	798.419	6.944	50	40	KKGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)OCc1ccccc1	408739318	ZLOCRAGZIGDKNE-CSEMMHHASA-N	704.419	7.260	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408747404	NJYLNSXNPJEXNT-KQWNVCNZSA-N	544.424	7.120	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(C)cc1	408750449	NBNRMRLSHJNGSY-BIZUNTBRSA-N	606.460	5.573	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)Nc1ccc(Br)cc1	408753917	LDAWDJGHHYLWEP-OGLMXYFKSA-N	517.383	5.021	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)c1	408757581	AHTVQBBEVABYAW-KGENOOAVSA-N	509.522	5.744	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408763998	VKBHSHJNIGHGEX-DPNNOFEESA-N	690.613	6.517	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Br)cc1Br	408771840	JLYWBCHNUVZXJF-YVLHZVERSA-N	576.672	6.998	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1	408788411	JYAKZGPTAMJHPK-LPYMAVHISA-N	593.430	5.847	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc(F)c3)cc2Br)cc1	408792205	JMMGGMWXBAZLFO-YBFXNURJSA-N	539.357	5.508	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1cccc2ccccc12	408795265	UYAVOXOIPXZJNH-BUVRLJJBSA-N	585.454	6.912	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1	408814101	RKZYJMPMTMHZCE-QHDYCIAZSA-N	529.640	7.113	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1	408814871	HYWFVUFCIVFRJS-IXLGETPNSA-N	554.090	6.342	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1	408817395	VVKUARSRWPRTBF-ICUTVXMZSA-N	608.536	7.957	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408823361	FCPDJQISOOVPCW-ZVHZXABRSA-N	662.924	8.113	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(F)cc2)cc1	408827892	HVKCQXRXZIARAO-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408829645	LOECHHBPWSDBQF-QNVXDBMFSA-N	766.454	6.914	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408837421	FBFOKKXKQNFJSQ-MWBNBJEGSA-N	685.040	6.961	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408837946	AWFGRWRDSXCZLR-AMVVHIIESA-N	555.874	7.290	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408838223	CWBXLOCTQPSLAK-PMCRKUBMSA-N	792.347	10.728	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)o2)Cc2ccc(Cl)cc2Cl)cc1	408838365	VLJZTKYTITZGKZ-IWIPYMOSSA-N	608.547	7.448	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1cccc(C)c1	408839731	VWZIMZDXAHOFLE-ODNPBWNPSA-N	655.618	8.675	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408841298	FGGNKVRDFKKOTC-KKMKTNMSSA-N	547.261	6.987	50	40	KKGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408847861	VMMZKFOGRVOMPI-VFLNYLIXSA-N	555.443	6.176	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408849071	UXVAKDJKGBKKLH-WBIBEUCMSA-N	816.275	8.767	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408861925	GSJRHGHEDSOBBA-KXQYEYADSA-N	526.829	5.210	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1Cc1ccccc1Cl	408866307	HHDCAKPUFNLMLU-GIJQJNRQSA-N	577.249	7.052	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408870886	XDXZLTJTPMFOPD-BIZUNTBRSA-N	622.541	5.691	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12	408888343	UJQPODMXEYJKPT-WKULSOCRSA-N	537.797	6.004	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2Cl)cc1	408891666	ULLLLDLMZYCMHQ-LDADJPATSA-N	501.391	5.924	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OC(=O)c1ccccc1	408896965	VBEKQVPYOOSERW-LICLKQGHSA-N	603.210	5.827	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(Br)c1OCc1ccccc1Cl	408923100	JFCIWXMDKIHBFC-UIGQDENISA-N	715.985	5.419	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408923567	JOHAYQZEUYPZPI-CJLVFECKSA-N	541.585	5.120	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	408926239	WKOWLKZGGDRSLT-LYBHJNIJSA-N	518.594	6.615	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1	408949434	QYOOESBSCWFBHZ-MUUNZHRXSA-N	716.010	5.295	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(I)o1)c1cc2cc(Br)cc(Br)c2o1	408949542	BISAMKBRRBCCBS-PTXOJBNSSA-N	616.829	5.682	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccc(I)cc1	408951132	LOSGWWGZBGZJRQ-ONUIUJJFSA-N	631.514	6.745	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4cccc(F)c4)cc3)c2C)c(OC)c1	408952557	KRUYWDVNKIZWLF-ZHOFXBFXSA-N	683.737	5.541	50	40	KKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)o1	408961608	SXUSMNYVWIMYBV-GUBAARJWSA-N	565.629	7.842	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccccc1Cl	408981253	AINZKYBKNJHYLH-ZDLGFXPLSA-N	593.248	7.040	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1cccc(C)c1	408983417	MAAPUJIUAHXHJB-JMIUGGIZSA-N	525.830	6.853	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccc(I)c(O)c1	408998564	BIZRGUPRUXDDKO-UFFVCSGVSA-N	543.180	5.267	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	409009288	CVPGRRZQTHXZMR-LJHVUWIPSA-N	658.110	7.503	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409014875	LVZMSMSWYLBZIS-PPDIBHTLSA-N	609.645	6.796	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2cccc(C)c2C)cc1	409027900	VCKZENVXBDUIDH-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409040287	SVGVERZVWPAEPR-ZSNJKBEMSA-N	633.571	8.812	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl	409041149	IPWYFVAJCOETHE-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1cccc(F)c1	409046601	RSSWENFWEFMXAQ-GXBUFBABSA-N	519.576	6.783	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)c1ccccc1	409092057	SNUGBMRAOIHGJY-OVCLIPMQSA-N	568.143	7.995	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(F)cc1	409133870	QUSXRXOPUNLXER-SANMLTNESA-N	645.513	5.791	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409139180	AZWDCVHNWBIWOH-KPGMTVGESA-N	648.521	5.633	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409163384	QSHLZPYLNVOZSI-IBBHUPRXSA-N	587.460	5.206	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	409177321	DMWAUOMIIAGLDW-PKXDCDSOSA-N	607.022	5.223	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cccc(Cl)c1	409196109	XBWOHBRCPPLALT-XODNFHPESA-N	575.865	6.749	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(C)=O	409222945	FQQJVITWSKDKLH-QHNLZNBJSA-N	622.590	5.164	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409224997	NVMGSNDDJNXXDF-UHFFFAOYSA-N	532.383	6.229	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409254982	GNUNMKIMTCRUJK-UNOMPAQXSA-N	568.855	6.373	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C	409255918	LWVGCHNQLVYMMW-KMUKQRDJSA-N	605.720	6.961	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(Br)c2)c1	409262667	GKFFBTUFFZJMEK-LICLKQGHSA-N	603.698	6.737	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409270425	FUXQRWFZFSEULD-XKZIYDEJSA-N	562.464	6.336	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409311625	GKRIKPIBUPLMCS-OHUYPAJKSA-N	589.486	6.697	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1OCC	409315599	JHVYAXKACDKAFP-MWLSYYOVSA-N	545.861	6.633	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)ccc1OCc1ccccc1	409317893	WNAMPHFRTHOXQK-CLHYIUPASA-N	599.514	8.467	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409318754	ZJJKGNBYLPAMQY-FDVSRXAVSA-N	604.295	6.137	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1OCC	409325502	ZEZUBRXXWKHTIV-NUJZUDFISA-N	505.373	6.273	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	409326154	HMHUYOHOVJBGGX-CPDSRJINSA-N	604.885	5.608	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409364107	NBLBYVKRKRIZIP-IPBVOBEMSA-N	680.111	6.344	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1O	409368556	BRDRVKQEVAXTLZ-QPEQYQDCSA-N	517.104	5.064	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409372333	VPQJXANPZDWBRI-MFOYZWKCSA-N	526.318	5.587	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCC(=O)Nc1ccccc1	409374035	XLUZDIOEQCFRKZ-KBVAKVRCSA-N	576.447	5.791	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccccc1Cl	409390981	GMYNARXRNJOEMW-CAQPMQTCSA-N	610.879	6.814	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395269	LUEADFCHYUIZLC-UHFFFAOYSA-N	738.622	9.442	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409395771	ROFZAXUOLKSEEA-UHFFFAOYSA-N	788.820	7.864	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)[nH]c12	409395937	UELMUVGNVUDQJW-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc(Cl)cc1	409396189	WYVQGWDSMDWSDW-UHFFFAOYSA-N	562.840	7.778	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396446	QSXNSZWIBGQTDP-UHFFFAOYSA-N	684.896	8.651	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396833	BSMSGJNLEAEJKD-UHFFFAOYSA-N	541.966	6.619	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409396947	DGUROEVVVATBEC-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1cccc(F)c1	409399976	AQDXWMXZVVCPME-CLHYIUPASA-N	624.669	6.585	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(O[C@@H](C)C(=O)O)c(Cl)c3)o2)cc1	409404962	RNMXEFMUNSKPPU-UEGXWDRTSA-N	535.984	5.535	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	1529544628	KLMNMDICXGJKRM-NKFQWXKNSA-N	587.485	5.138	50	40	KKGB	
Cc1c(/C=N/NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1	2186722	VSIGBZCCRMMREQ-VFLNYLIXSA-N	500.813	6.487	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	2188863	JYJCFRLNZPPLMI-QHCPKHFHSA-N	546.649	5.653	50	40	KKGB	
Cc1cc(SCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c2ccccc2n1	4091509	KUFHALDMWAQKQD-RWPZCVJISA-N	520.452	6.127	50	40	KKGB	
O=[N+]([O-])c1ccc(N/N=C(/N=N/c2ccc(N(CCCl)CCCl)cc2)c2ccc([N+](=O)[O-])cc2)cc1	4707368	PPMNYIVABFDDCZ-OCBWGVNKSA-N	530.372	6.345	50	40	KKGB	
O=C(CCC/C(CC(=O)c1ccc(Cl)cc1)=N\NC(=O)c1cc2ccccc2cc1O)Nc1cccc([N+](=O)[O-])c1	5811510	VPNAIQGDXKCXIY-IWBSIUBASA-N	573.005	6.275	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCC)c(OCC)c3)cc2)sc2c1CCCC2	6167469	NRAAXQQZENPZHO-DQKNBXDWSA-N	607.729	5.771	50	40	KKGB	
COc1c(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc(C)cc1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1	8426927	RFCAMFWNGAQDPB-DBMXBCQFSA-N	626.713	6.396	50	40	KKGB	
CC[C@H](c1ccc(OC(C)=O)cc1)[C@@H](CC)c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1	8453692	UTYWUJACSUMZTA-JSOSNVBQSA-N	570.557	7.731	50	40	KKGB	
N#CC1=C(N)OC2=C(CN(C(=O)OCc3ccccc3)C/C2=C\c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1	8733586	GYSRQUVOKYQRFD-SDYGVVLCSA-N	511.528	5.763	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@@H]1c1ccco1	9068925	CAUJHPWYJDWDBJ-RUZDIDTESA-N	503.555	5.378	50	40	KKGB	
Cc1ccc(-c2csc(N3C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)n2)cc1	9591768	OXDMWHOFRYGEAL-RXVVDRJESA-N	500.979	5.034	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1F	12250857	PIXFJKWSSZFLPR-SANMLTNESA-N	520.029	6.756	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OCc1ccccc1	13659529	OGYFWIGEQFQXKK-FYJGNVAPSA-N	503.421	7.224	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2cc3ccccc3oc2=O)N1	97951866	MJSUPSHGBUPOHB-MHZLTWQESA-N	538.581	5.441	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)NC(C)=C2C(=O)Nc2ccccc2)cc1	97952089	PHVKYNRSCWUUEJ-GDLZYMKVSA-N	538.673	6.100	50	40	KKGB	
C/C(CC(=O)Nc1ccc(Cl)cc1C)=N/NC(=O)COc1cc(C)c(Br)cc1Br	100030150	YYTYVXGIOPJCMY-MXAYSNPKSA-N	545.659	5.382	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	100366408	WDJLBRXHMMQFDO-HIWRWHBISA-N	611.429	5.915	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3nccs3)NC(C)=C2C(=O)Nc2ccccc2)cc1	100952196	GEOZOVXUDLQSFM-DEOSSOPVSA-N	531.663	5.248	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(Br)cc2)cc1	100989393	NDUZOJOKJWMBQF-YDYXIROLSA-N	563.433	5.731	50	40	KKGB	
C=CCn1c(SCC(=O)NC2=C(C#N)C3(CCCC3)Cc3ccccc32)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2	101229244	YMXFLVBLOFFETP-UHFFFAOYSA-N	602.804	7.114	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)cc(Cl)c2)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	101273169	GYLCDASZTXWWJW-JGCGQSQUSA-N	630.166	7.033	50	40	KKGB	
CC(C)(C)c1ccc(OCP(=O)(c2ccccc2)c2ccccc2)c(P(=O)(c2ccccc2)c2ccccc2)c1	102400586	FQQXGRIJHHLJKD-UHFFFAOYSA-N	564.602	6.974	50	40	KKGB	
CCOP(=O)(OCC)C(C#N)=C(SCn1c(=O)oc2cc(Cl)ccc21)SCn1c(=O)oc2cc(Cl)ccc21	102403252	KLUMUTFGVHCHSV-UHFFFAOYSA-N	616.441	6.850	50	40	KKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1	102621549	ZMBQOGNSOSHSDM-OLIAQGHGSA-N	591.737	6.243	50	40	KKGB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(COc4ccccc4-c4ccccc4)cc3)cc2)C1	103041834	AMVXTENZQVKNON-JWQCQUIFSA-N	597.737	5.674	50	40	KKGB	
FC(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528954	MVFLVKVULQOKDL-UWTATZPHSA-N	592.002	7.117	50	40	KKGB	
O=C(O)[C@H]1C[C@H]2[C@]3(Cl)C(Cl)=C(Cl)[C@H](Cl)[C@@]2(C[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl	150384417	VVRWPUJXBANEPU-IPORIJRXSA-N	641.114	6.671	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	150385231	BWFLPUPZHIPMCY-FDALDRLYSA-N	645.612	7.869	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)cc(Br)c3O)nnc2-c2cccnc2)cc1	150415004	WJTLKVUBPILKMN-XODNFHPESA-N	632.338	5.201	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	150490541	UBOXKVMIACTVIZ-ATZGPIRCSA-N	642.565	5.714	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164700153	AZTZRDBAKLJXNK-STZFKDTASA-N	709.753	6.384	50	40	KKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1OC	209529743	RUUHTEVCQUOOOV-DLDHGHKKSA-N	558.654	6.561	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1	408539156	UICGULBWMBHLSC-JFLMPSFJSA-N	613.508	6.848	50	40	KKGB	
COc1cc(COc2ccc(/C=N\NC(=O)Cc3cccc4ccccc34)cc2)ccc1OCc1ccccc1	408541365	ZGXZZDQZYOMJDS-QHDYCIAZSA-N	530.624	6.699	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543750	STWDDVIBYUXOFH-ULJHMMPZSA-N	574.475	6.208	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552103	HIGPVQQQVTZDGM-VIZOYTHASA-N	598.792	7.237	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408553323	NVZFTYFLAOROEU-NVNXTCNLSA-N	535.214	6.863	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408568481	JQJHOZYUUUZOPA-IPPBACCNSA-N	607.979	6.698	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	408580114	AIAOHJMZXPOISN-QGMBQPNBSA-N	504.797	7.316	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	408611629	RHBQORSSPRHYEL-AMVVHIIESA-N	516.400	5.925	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408641629	KSGGDEGRFOMWFC-XLIFZOOWSA-N	610.730	5.281	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408642769	NVDQBUDEYWGOKY-FYEGEREBSA-N	631.148	5.544	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1Cl	408642810	FGALARMSKCQUEJ-IUOSPEFCSA-N	698.022	6.318	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2)cc1	408718273	QFAZUABLAQONDJ-OCSSWDANSA-N	587.386	5.593	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	408723492	WIQSCHXJXMLHAH-VIEDFXLDSA-N	580.471	5.889	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408724553	FORPUDQDTZUWGP-YVLHZVERSA-N	524.327	5.196	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1ccccc1	408741410	IQQYBKPINYPXFU-IUXPMGMMSA-N	556.210	6.065	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1ccc(Br)cc1	408743809	VLMLMOCLVIYUCT-JCMHNJIXSA-N	503.396	6.311	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408744581	MEMBKQBLESOIRB-PXNMLYILSA-N	611.117	7.652	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2I)cc1	408745914	WJHBBDPQNJQNEY-JAIQZWGSSA-N	587.255	6.795	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408746066	QOXFZMHOVLPJPG-HMAPJEAMSA-N	550.873	8.179	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2I)cc1)C(=O)Nc1ccc(I)cc1	408760613	BSKOGUDCBWSIGJ-LGMDPLHJSA-N	649.226	5.459	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408762645	FLOHBCLXFUDBGG-PXNMLYILSA-N	591.643	6.898	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1	408765548	MBKSBERHKMPHJQ-HYARGMPZSA-N	596.421	5.991	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(Cl)cc1Cl	408773991	UUCISMGFIKHIQK-MOSHPQCFSA-N	510.421	6.583	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	408778632	JDQKCMLYSCOPHY-HNSNBQBZSA-N	581.572	5.270	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(F)cc1	408792061	HEOXGBFOXHLARP-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408792200	JLJCJEBXRLEBCG-RGVLZGJSSA-N	583.382	6.031	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408797291	RCTYPFUJNKOFFQ-CAOOACKPSA-N	536.242	7.824	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408799478	ZGHAVWRFBOCOGQ-PCLIKHOPSA-N	535.556	6.307	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OCC	408815617	SULDDYHOAHKJDC-LDADJPATSA-N	501.377	5.359	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)c2C)cc1C	408824855	AQISYQVIHXSGIR-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1cccc(C)c1	408828837	WFKWVPYFCXLFIK-ZMOGYAJESA-N	607.921	8.668	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cc(C)ccc2C)cc1	408829451	JSUWSYZHENAHKU-STBIYBPSSA-N	546.605	5.126	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccc(C(C)C)cc2)cc1	408829630	LMCFVNOGXYEERY-JEPNHJGPSA-N	616.715	5.621	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(C)c1	408846993	KWPZHVKTQVWBDL-NUJZUDFISA-N	586.280	7.008	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(C)c1OCc1ccc(Br)cc1	408848814	VWIXDEKMVUWPAD-YBFXNURJSA-N	530.249	7.497	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408862279	DYEFIQLKQHDOTF-PPOKSSTKSA-N	601.725	5.717	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1	408866736	IJLSAMJMFKUPFD-SEBMTOOBSA-N	652.729	5.143	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(C)(=O)=O)cc1	408872989	QIJKUAUJWYSCLJ-WKULSOCRSA-N	624.941	5.005	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408873806	XDKJXBXVGUHSHD-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1cccc2ccccc12	408886204	FEUXKSZYLUFHEM-LTGZKZEYSA-N	541.401	6.766	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2OC)cc1	408889437	GZRNMLWKYWPCCV-CXUHLZMHSA-N	576.230	6.538	50	40	KKGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCc1ccccc1Cl	408899517	PYXGJVLVDPLCTQ-ZCTHSVRISA-N	500.982	5.314	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(OC)c1	408923717	KSRBVWQVAJFCMW-RZNGARSMSA-N	685.959	5.410	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408962346	HPZKQMSGDJWMBB-KVSWJAHQSA-N	556.176	6.573	50	40	KKGB	
COc1ccc(COc2ccc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)cc2OC)cc1	408980660	RYZPEJYRRIKJTR-VNXYKSSOSA-N	537.616	5.294	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCC	408981327	AIMVDJACFLNJPD-NVNXTCNLSA-N	510.759	5.596	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)o2)n1	408992562	SKVOPPSIIVSREQ-SFQUDFHCSA-N	551.609	5.902	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409064044	BGLKNIWMPAURBT-XSFVSMFZSA-N	510.999	5.669	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2o1	409077835	AILJFNMCCBDWOJ-NTUHNPAUSA-N	609.152	8.136	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl	409109596	HZDXPHZVMDUTEU-KVAAJVFYSA-N	687.558	6.152	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409121800	XYXUJSKHKFAKMD-UVHMKAGCSA-N	508.402	5.095	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc1	409223389	FFWYQBVSBIOKLU-ISEVBUBHSA-N	722.346	6.763	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1	409224248	JICHUAFHRKSHOP-QGOAFFKASA-N	510.377	5.955	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1ccccc1	409235801	BRWVRZBFVWPARN-IWEBCOIVSA-N	666.151	7.180	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1	409255828	JAGBMXPIDXGVAO-ODLFYWEKSA-N	582.838	5.761	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409260013	JELVUZVLACQPPE-CIAFOILYSA-N	503.986	5.837	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2C)c(C)c1	409260985	ZJVQYBWNUODTRW-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409264227	PWANLDPSLXDPSI-ODLFYWEKSA-N	568.855	6.291	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)c(C)c1	409264672	PAIVLSZOJDIPHC-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409316258	LVVNSEATJUZTID-VYYCAZPPSA-N	603.382	5.628	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OC	409319114	AIQNUFOBRGENJU-APTWKGOFSA-N	547.051	7.032	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OC	409320192	AIRASGRAIHNMNJ-LQNQUEJISA-N	602.469	6.139	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1OC	409320402	AQPMCEZWKSCZHC-MBTHVWNTSA-N	513.363	5.505	50	40	KKGB	
C=C(/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)N(Cc1ccccc1Cl)c1ccccc1N	409335152	NXGBUABBEZMASB-PCLIKHOPSA-N	583.950	9.359	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc2c(c1)OCO2	409366860	ZODHIEUFFLQKCQ-LSCVHKIXSA-N	607.185	6.268	50	40	KKGB	
Cc1cccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1	409368984	WEDMDBIRNCNNKK-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)[nH]c2c1	409374316	MFKVFOMBRAATBD-JLPGSUDCSA-N	537.461	7.685	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409383785	HHTKYCBJBVSUON-YBFXNURJSA-N	568.474	7.601	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409386058	NXNXQJWYSXYLAD-RPPGKUMJSA-N	585.392	5.832	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12	409397800	OELDYRFBWBKPNY-UHFFFAOYSA-N	522.004	7.034	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409399423	IPLFMWBESSLXRK-ADJDCTSUSA-N	697.413	8.687	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn([C@H](C)C(=O)O)c4ccccc34)o2)cc1	409407423	ZSSOHFAJAZKMPS-GDFVXLMNSA-N	524.577	5.630	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(OC)c1	1529547560	MFQRWKAXPGXMBH-DMFIQNIRSA-N	749.027	5.417	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc(Br)cc1	1901252	LTSSGBUCJRNAPP-VULFUBBASA-N	532.895	6.109	50	40	KKGB	
NC(=O)N/N=C(/Cc1nc2ccccc2nc1C/C(=N/NC(N)=O)c1cccc2ccccc12)c1cccc2ccccc12	5568004	JEGUKKYEDLCLGI-LDIFZFAOSA-N	580.652	5.166	50	40	KKGB	
CCCCCCOc1ccc(/C=N/NC(=O)COCC(=O)N/N=C/c2ccc(OCCCCCC)cc2)cc1	6471958	CWXCYNBMMUGPCB-RWRHWQIFSA-N	538.689	5.222	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C2CCCCCCCCCCC2)cc1	8443198	KVZOFLVUGVIKKA-UHFFFAOYSA-N	559.776	7.781	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1	13388031	RWVUVCLAXFPDIP-WOJGMQOQSA-N	508.328	5.491	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c(C#N)c1C	33401398	DWNAJJTVFRLAQA-CIAFOILYSA-N	514.559	5.101	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1	59222094	WSBRTLOPWTVHTF-JWGURIENSA-N	530.365	6.569	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccc(F)cc1	59921864	AQDBEKCNDDHCIL-VULFUBBASA-N	518.326	5.172	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(O)c(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	96933944	NFNZRVARHNFWMY-LJAQVGFWSA-N	554.672	5.670	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2-c2ccccc2)cc1	97960930	UBJQUGGNFIQIHN-RGOUMVRGSA-N	730.868	10.877	50	40	KKGB	
CCCCCCCCCCCCOc1ccc(/C=N/NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1	97984653	QYTCXJYGLQYEMD-ZCTHSVRISA-N	507.597	6.317	50	40	KKGB	
CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1	98048482	NLAKDEDSYZSUHM-SANMLTNESA-N	560.075	6.315	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(I)cc1	100065253	FSOAXSJLALKPCX-JVWAILMASA-N	616.308	5.642	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)c1	100124814	FVTATCWEKQUOAK-FABQOPTDSA-N	582.648	6.075	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100126972	GTSAADRELIALPH-STBIYBPSSA-N	566.039	5.001	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1)c1cccc(Cl)c1Cl	100379210	NQSQLWCGSNOPGU-IPPBACCNSA-N	561.878	5.925	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1OC	100852815	ANCYBMZNVWBZLH-QQXSKIMKSA-N	524.693	5.633	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	101043897	SWGHYTCSVZYUBF-RMWKRFJVSA-N	519.736	7.793	50	40	KKGB	
Cn1/c(=N/[P+](Cl)(/N=c2\sc3ccccc3n2C)/N=c2\sc3ccccc3n2C)sc2ccccc21	102314379	DSJJMBSVFYVACI-UVNMGKMLSA-N	556.102	6.365	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)ccc1I	103878182	SONDZYMKRSWFJT-RPPGKUMJSA-N	576.232	6.280	50	40	KKGB	
CN(C)CCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCC[N+](C)(C)Cc2ccc(CCl)cc2)cc1	104196022	WQOZSEFCSCNHLM-UHFFFAOYSA-N	504.227	5.197	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	105509660	ZCVGZOCHPYOUMO-XODNFHPESA-N	552.252	6.045	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	150433623	KEWIAALNQULLAC-DPNNOFEESA-N	645.634	6.867	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	150438510	IXOUFGMIXATOMJ-VWOOYDPRSA-N	625.990	7.759	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1c(Cl)cccc1Cl	210369293	FYOVNVRUSPQHLW-XODNFHPESA-N	546.501	6.823	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]4[C@@]34C=C[C@@]2(C1)[C@@H]1C(=O)OC(=O)[C@@H]14	257348127	BPXYDBBZMNFAEY-AHXIEEJASA-N	536.753	6.907	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccccc1	408538851	CLZGTILSRJECEN-PCLIKHOPSA-N	560.875	8.333	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1cccc2ccccc12	408542299	IGCHQEYJFVMAMU-ZVHZXABRSA-N	552.472	8.137	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408542789	NWVBGBUJDDMSPW-GRSHGNNSSA-N	613.364	5.421	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Cc1sc(C(=O)OCC)c(C)c1C(=O)OCC	408547008	QGXUCTKCIPHCKC-HMMYKYKNSA-N	515.587	5.294	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc(Cl)ccc2OC(C)C)c(C(=O)OCC)c1C	408547026	QNJLRLQPDQVBRG-YVLHZVERSA-N	504.004	5.569	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551762	MKOUMTGZTUCZSZ-GRSHGNNSSA-N	664.327	7.177	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc2ccccc2c1	408566957	BWSWHWNBRJFTTH-NHDPSOOVSA-N	575.381	7.112	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Cl)cc1	408567772	PSFRRUYQJBLWOT-WKULSOCRSA-N	576.862	6.232	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1Cl	408610405	UDQOXGOCZARYAK-KKMKTNMSSA-N	535.225	5.732	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1	408637906	NWPRFOVBQVMOOA-NGQVCNFZSA-N	572.032	7.062	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638111	BWSYEHRHXSRKON-IMWYJMLKSA-N	738.493	7.678	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1	408642652	NQSJQPKJTFGDOX-FATVKVNYSA-N	732.809	5.730	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1	408745563	NYBGLDKTUNVWLY-ZDLGFXPLSA-N	556.800	6.534	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccccc1F	408759700	JZXKTWYKXPOFNT-ZDLGFXPLSA-N	574.244	6.874	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)ccc1OS(=O)(=O)c1ccc(C)cc1	408760753	FMAWHSBAOUFVMI-QGOAFFKASA-N	527.396	5.080	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2C)cc1	408761092	HQZVRGQQLNCHEA-RCCKNPSSSA-N	576.531	7.368	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1I	408763571	PUQXKGVOJMDXDK-LGMDPLHJSA-N	602.226	5.617	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	408765558	YQOFBQWUSTWYBJ-ATVHPVEESA-N	531.815	5.724	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1	408781100	AAOXVDOSRHFBRV-KQWNVCNZSA-N	580.910	6.336	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789815	MAJJVEJYHUKVNX-WSDLNYQXSA-N	781.215	8.906	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2I)c1	408791834	DEQPFTCJCDATFK-GIJQJNRQSA-N	665.225	6.237	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)c1C	408798606	WIPQFDCPYTWALC-VXLYETTFSA-N	760.151	7.242	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Br)cc1	408798635	WFEBULONNSLLGN-RQZCQDPDSA-N	587.224	6.253	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408827783	UVLACNDMLUOEEL-XLNRJJMWSA-N	610.519	6.922	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC	408833935	XIPQANXHEVOXTP-LQKURTRISA-N	592.899	5.022	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc(OC)c1OC	408838554	GCPALXHDFIUYAY-ODQASSKESA-N	767.998	7.487	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408842372	JOTJPSLOBOEHJC-JAVCYFNSSA-N	847.350	10.091	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408843070	REOLFNUEQWSNDQ-XAZZYMPDSA-N	657.414	6.383	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1F	408849019	XQVYNZJQJMJVEW-KULFSUQXSA-N	635.548	8.741	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Br)cc3)cc2)cc1	408849435	YMNOZRHLYIFCPP-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408862585	GPWSJYNBNATACQ-QLQYKETESA-N	628.150	6.735	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408863883	VCTXUEABSCSJRB-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408865131	BDPMWVWUJWMVKZ-XKJRVUDJSA-N	649.778	5.913	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c2cc(Cl)cc(Cl)c2)cc1	408869234	PXNZMNMJMUKHCG-ZSNJKBEMSA-N	653.588	5.385	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1Cc1ccccc1Cl	408872905	KZSTUJPKIKXUMR-GIJQJNRQSA-N	530.249	7.209	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408881027	JXZWZRIVYWJFRC-YBFXNURJSA-N	555.812	6.324	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccccc1Cl	408881819	MHIOCTMNQDOGFQ-DPNNOFEESA-N	656.986	6.420	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408882449	PDCXKLZJFXPMNH-SFQUDFHCSA-N	522.311	5.131	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1cccc(Cl)c1	408882802	QYJJVMVJUOCCCL-ALQBTCKLSA-N	551.127	7.311	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(C)cc1	408884774	VMXRWHVUYCEQIA-LGJNPRDNSA-N	532.232	5.872	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccccc1F	408887471	OQYZQRZMBMRCDX-WOJGMQOQSA-N	528.321	5.564	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2c[nH]c3ccc(OCc4ccccc4)cc23)c(Br)c1	408893002	DWNXFDVMQSVKPG-WOJGMQOQSA-N	565.265	7.126	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	408896936	UXXROJKWSKETJD-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408897334	ROADDJUNWIAQFU-UDWIEESQSA-N	518.356	7.179	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)c2ccc(Cl)cc2)cc1	408922524	OUYKXQFEFUGCKN-QNKGDIEWSA-N	591.089	5.337	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924843	OVGIHHPJWIJTLF-QXUDOOCXSA-N	623.772	5.805	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408925824	UBMRRLRSTHDPSV-CXUHLZMHSA-N	547.192	6.789	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408946724	ZNUDKRVTGALERO-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1	408959790	FZDSIBLWWPKJKN-ZRGSRPPYSA-N	562.214	5.018	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccc(C)cc1	408967584	RCCMRVBNVBGPJV-IPPBACCNSA-N	510.363	5.510	50	40	KKGB	
Cc1ccc(OCCOCCOc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Cl)cc1	408970046	ZEWBRPRZXRNOIS-PXLXIMEGSA-N	525.432	6.630	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br	408981939	FCWXNHMKBUJIKP-NSIKDUERSA-N	512.187	5.552	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(F)cc1	408983564	MJHWNKSGJXJXSS-GRSHGNNSSA-N	543.820	7.073	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409011637	GRCHFQFXZHBIHM-YLLPRZTDSA-N	723.525	8.847	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	409013454	KLQRINQNTUKCLM-CEQOLTJDSA-N	550.486	6.748	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409016696	VLICLQSQWSSOGR-OPVMPGTRSA-N	682.932	6.654	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21	409016757	ROQAUGWESJMFCO-JXVUHZBQSA-N	623.537	5.465	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12	409037778	NPZPJXMFPLEZRR-DPNNOFEESA-N	615.325	7.770	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OCc1ccc(Br)cc1	409042261	LYFFHSIMUBJIIS-OPEKNORGSA-N	626.201	5.019	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1	409046640	KUNCMGRXHFYLAK-CPNJWEJPSA-N	550.409	5.420	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409091136	PPQPLFWQFIBGAN-MHWRWJLKSA-N	542.426	6.258	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(I)c1OCc1ccccc1Cl	409135815	ZZKGLYVIGMAMKZ-HXUWFJFHSA-N	562.795	5.172	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409157789	QHJYSKYPAUIIJY-VFLNYLIXSA-N	563.825	5.152	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1cccc2ccccc12	409181421	CFRWMLSDNDCHAY-YJJOPYADSA-N	592.611	5.715	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409222620	CQNWZZLMVVENEN-CXUHLZMHSA-N	632.798	5.425	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	409224922	NSHMZIOQFXEKPI-DLCNMLRHSA-N	663.039	5.518	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccccc1	409248791	QRFLCPKFRYSJKD-MKYLKIGJSA-N	504.384	5.251	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409249997	KWMLQESLYABVND-FYJGNVAPSA-N	595.437	5.870	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	409251798	WHSKCKOVIRXWES-PPDIBHTLSA-N	510.190	6.167	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1	409259312	YRUIDOLIRPVEIY-XDHOZWIPSA-N	613.306	6.482	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409264623	QJLMJUIRLJPSBP-WKIKZPBSSA-N	622.257	5.152	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)cc1Cl	409272148	OZRJPMVFJDUQGA-PPDIBHTLSA-N	535.225	5.846	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)ccc1OCc1ccccc1	409272555	ZXIPTZQYJAXXNE-KMUKQRDJSA-N	693.538	6.367	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OC)c2)ccc1OCc1ccccc1	409313310	BLFYFXNRUWOTEB-NTFVMDSBSA-N	527.415	5.598	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409319991	OHZDYWINBHSPET-UHBFCERESA-N	622.887	6.484	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1OCC	409326508	LHINPDVRGADUFL-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccccc1	409327199	RFARMBNPXUSZCR-DICXZTSXSA-N	513.388	5.208	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OCC	409335849	PHZVRVCAZZSVTC-CNCDYAKUSA-N	592.907	6.924	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1	409367872	ISIWHMIKRBSISZ-STKMKYKTSA-N	501.586	6.592	50	40	KKGB	
CSc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409368441	VWCFGWDTJZVYHW-NUJZUDFISA-N	564.560	5.982	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccccc1C#N	409373211	FWSBUXXLVGWRFG-NHDPSOOVSA-N	513.395	6.547	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1cccc(F)c1	409374175	ZPXDCKGYDMPDKU-WCMJOSRZSA-N	551.412	6.492	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Br)c1OCc1cccc2ccccc12	409381830	WLLWEVTVCZLFRM-KBVAKVRCSA-N	538.486	5.952	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OCc1ccccc1	409391186	HQLUCZMQKKMMLH-OKCVXOCRSA-N	565.411	5.594	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)cc1OCC	409394418	AEVYHHDLKOJYEQ-UHFFFAOYSA-N	789.908	9.947	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409397104	GFVLOPNBGLYFHV-UHFFFAOYSA-N	507.977	6.780	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409398263	SAGHPAWZKYWWOD-UHFFFAOYSA-N	585.582	7.462	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409399216	YKILLGFFJKTJBO-UHFFFAOYSA-N	566.057	7.487	50	40	KKGB	
Cc1cccc(COc2cccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2)c1	409402810	LCPHDMOCFKYKMD-GXBUFBABSA-N	533.628	6.917	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2C#N)c(OCC)c1	1529549228	WEGGCGXQDYVTKZ-POABAVLKSA-N	662.168	5.074	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccc(Cl)cc2)cc1	1779130	KTKVDLLCKTVKCT-CCVNUDIWSA-N	571.446	5.790	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1	1837521	PUPYFDVDKIEIMR-JVWAILMASA-N	535.471	5.005	50	40	KKGB	
N#C/C(=C\Nc1ccc(I)cc1)c1nc(-c2ccc(Br)cc2)cs1	2288569	OBGMRDMYSLXLKE-JLHYYAGUSA-N	508.182	6.154	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2	3143791	GMNFFOOJCWBFBL-OKCVXOCRSA-N	538.456	5.591	50	40	KKGB	
C[C@@]12CC[C@@H]3c4ccc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)cc4CC[C@@H]3[C@@H]1CCC2=O	4823728	SFOHURGDKAWENM-HOSLJWMQSA-N	528.520	6.544	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	6445634	SQGCIXUYPNCNFP-HQFBCKHPSA-N	561.041	5.189	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3ccccc3Cl)Nc3c(Cl)cc(Cl)cc3[C@H]2[C@H]1Cl	8425540	MFHGWWLWCZKEAZ-AJBGWJBCSA-N	540.299	8.594	50	40	KKGB	
COc1ccc(/C=C/C(=N/NC(=O)c2ccccc2)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc2C)cc1OC	8663792	SIZCKXICDRTWFS-KSWMGWTLSA-N	543.605	5.968	50	40	KKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1	9076281	ONQDQCVABYAXLX-OAUQLRMZSA-N	516.066	6.748	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	9310782	WOQYKEHJSNYFOL-ATVHPVEESA-N	504.455	5.248	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	19904922	PXQDZTSZSZXNAU-DEOSSOPVSA-N	510.059	6.058	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC	28217854	RSQKXXYZEOFWLE-MZJWZYIUSA-N	513.388	5.126	50	40	KKGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1SSc1ccccc1C(=O)N/N=C\c1ccc(Cl)cc1Cl	49802083	SUXMNCJNEVPTAT-IPYSUTSPSA-N	648.424	8.627	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OC(=O)c1ccc(C)cc1	97961795	ITTREXNTQJYQBH-MZJWZYIUSA-N	560.242	5.441	50	40	KKGB	
CCc1c/c(=N/NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3	97971102	CDMIRRJXRZLJEW-ZTHAASSQSA-N	545.680	6.221	50	40	KKGB	
CC1(C)Cc2cccc(OCC(=O)OCC(=O)N(/N=C/c3ccccc3)c3cccc(C(F)(F)F)c3)c2O1	97981069	LBHCOACHSQMNJT-KPGMTVGESA-N	526.511	5.408	50	40	KKGB	
N#C/C(=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)c1nnc(NC(=O)c2ccccc2)s1	100754627	LDYVWEDGXPRPTJ-ZDLGFXPLSA-N	541.847	7.394	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)c1cccc(Br)c1	100853783	WBOFAEQHAGBCTD-DICXZTSXSA-N	586.313	5.487	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	101087542	ZVBOBPMDGLSPLR-NZCCEVMUSA-N	521.708	7.184	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1Cl	101558513	UFVUJAQPZXJPFH-RUZDIDTESA-N	608.945	6.871	50	40	KKGB	
CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528435	KCTZYWGNLHRKIL-CQSZACIVSA-N	542.308	8.959	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(I)cc1	103886674	OFUJJUOFUWJROD-WQRHYEAKSA-N	551.222	5.356	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	105140112	ASSVRYIWGKBCDF-RQZCQDPDSA-N	546.794	7.078	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1	112254297	FJRZPASQIKJAQJ-VPBLMEEESA-N	621.049	5.152	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI	150341972	AXKCKILDTKIEOJ-UHFFFAOYSA-N	924.061	11.268	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342335	VNNZYQFRNMPRGW-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
CCCCN(CCCC)S(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N(CCCC)CCCC)cc1[N+](=O)[O-])C2=C(C#N)C#N	150350980	LNLTVJPJKQHAFG-UHFFFAOYSA-N	700.840	6.514	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	163875841	YMZCNKNQNSQEMK-MUFRIFMGSA-N	646.266	6.321	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OCC)c2)cc1	408538986	DBDVPKFLSGENCE-GMEAVFFOSA-N	566.698	7.358	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408568164	IEQYXMPGXUWGPU-MFOYZWKCSA-N	539.304	5.648	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408569206	MIHMAUKTBXBOAD-IUXPMGMMSA-N	584.345	6.257	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc(Br)cc2)c1	408579586	IEZWKVFZVNIWOT-VCHYOVAHSA-N	605.124	7.364	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408583882	YFJJTJNGHBJQDO-RGVLZGJSSA-N	539.382	6.416	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Cl)c3)CC2=O)cc1	408605993	KQKREVMFIGTPQU-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(I)cc2)cc1	408711759	JFOJWIUSTFOPHR-JFLMPSFJSA-N	548.808	5.615	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408726988	WSHNCVMRQSVBLY-YVLHZVERSA-N	513.775	5.941	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1OCc1cccc2ccccc12	408727684	WZKWEJLNRTWZEN-LQKURTRISA-N	527.415	5.183	50	40	KKGB	
O=C(N/N=C(\COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1	408734099	JAQXJZKNDHIUKO-IGIMMJHKSA-N	570.733	6.990	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408746442	SSAODDRJAHIIIL-MFOYZWKCSA-N	511.759	5.956	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(I)cc1	408748142	ZBTKEGQDBFVSHX-JAIQZWGSSA-N	603.254	5.865	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(I)c1OCc1ccccc1Cl	408785017	FIOURYWKZWCYFE-JCMHNJIXSA-N	629.926	7.314	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	408794583	JSNSFKFJJIWXCK-VCHYOVAHSA-N	654.673	6.982	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(I)cc1	408798998	XNSCINKWGOEIML-CIAFOILYSA-N	586.857	7.085	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC	408805410	JWQXHNMAHIBGSO-OVCLIPMQSA-N	510.759	5.596	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1cccc(Cl)c1	408819629	YDGBWQDTDXTNAG-RGVLZGJSSA-N	525.830	6.934	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408838586	GLHFKZUSHCBFOA-PTEHHBOZSA-N	701.813	8.859	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408838674	GZUBOCLXLWRRDF-MSEDBIDCSA-N	647.323	6.847	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2ccccc2o1	408842705	APEXYUZSMISQMK-BCHBDCPOSA-N	527.758	5.920	50	40	KKGB	
N#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408844147	OQHTYEPXAJWOAT-VVEOGCPPSA-N	645.764	7.398	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845212	PNNKJHZSOGEWFI-PUHLOBNQSA-N	741.849	8.983	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc2c(c1)OCO2	408845257	LSLBQROMCZHWOK-NUJZUDFISA-N	533.378	5.995	50	40	KKGB	
Cc1cccc(COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1	408847509	SKJTTXYTTKUTOW-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408854329	COGBMCXMSXATAI-GXHWNICQSA-N	574.102	6.417	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OCC	408855865	FJIQOAXQYDRIKZ-WEMUVCOSSA-N	557.672	5.643	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1Cc1ccccc1Br	408866417	FSDZECRRXZWSRV-PCLIKHOPSA-N	601.928	8.217	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1Cc1ccccc1Cl	408869222	PTYNSRWRTWNXKR-YBFXNURJSA-N	591.276	7.442	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1)Nc1cccc(Cl)c1	408879010	ADNDQKOZERZXGZ-FADJLKOXSA-N	582.104	5.444	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408881061	KBCLRRYYXOPAOP-XMHGGMMESA-N	576.244	7.130	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(Br)c1	408900909	YZVXCJRSJNESCV-FMIVXFBMSA-N	555.053	7.633	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)c(F)c1	408966882	NXXDDORZGGYYSG-IPBVOBEMSA-N	568.173	5.952	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1ccc(Br)s1	408996999	FVYIHLLVWDWPHN-YXSASFKJSA-N	548.054	5.113	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409031002	GFJSRAHCFFOTAE-SAEPALGJSA-N	623.565	9.357	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1cccc(Cl)c1	409040839	YUWYLHKPVJGQID-XJECJHNESA-N	709.009	8.472	50	40	KKGB	
CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409050553	WXNDNQPNJNELOE-MBTHVWNTSA-N	508.803	6.480	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1	409073335	MKXOKJZUOYDEAG-GZTJUZNOSA-N	576.266	5.833	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(C)cc1	409135076	PQKQPYHYMUFXOJ-DEOSSOPVSA-N	509.400	5.550	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409160069	PMYMLEUZMHODPK-PNQUVVCRSA-N	689.721	5.756	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409234498	LCQOKTCRFIJNMO-WGARJPEWSA-N	543.633	8.126	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409259244	XPYFIQNYEUCSHV-NUJZUDFISA-N	558.860	5.899	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1	409266360	YFHLRFGXGSNFFQ-ZRGSRPPYSA-N	521.198	5.537	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409309077	BBJLEBBFPDEUOV-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)ccc1OCc1ccccc1	409310087	QBOUAGDSGUVBJG-DXJNIWACSA-N	509.562	5.056	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)ccc1OC	409313789	DDZHQECVPPWHHJ-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1OC	409321385	HJESDVXQVAPGBO-MNBJERMJSA-N	545.433	6.519	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1OC	409321802	JSNAWJVPGNBWDL-UHBFCERESA-N	514.981	6.018	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Br)c2)ccc1OCc1ccccc1	409327177	QRHSWWOBMVIDTN-KYHGBAKBSA-N	563.423	6.519	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409366851	ZMIZZTGYQZOGHO-VYVUJPJFSA-N	714.556	6.997	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409369660	DPOGZEXMJVSOJU-KKMKTNMSSA-N	651.714	5.501	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OCC)c1OCc1ccc(Cl)cc1Cl	409371007	CIEUXAAPZIJDAV-UHBFCERESA-N	542.419	6.301	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409372080	FGAHGOVHRJPXMS-KPGMTVGESA-N	641.437	5.772	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	409373688	SSHSCKBQUKIWQC-KCSSXMTESA-N	539.429	7.107	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387141	UDJRHJRKRMZYEG-DHRITJCHSA-N	557.369	5.757	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(Br)cc1	409393372	QPVHXTXJORPHRY-NVMNQCDNSA-N	564.192	6.845	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1	409393746	ZVHGNMMLTOWBQL-RGXNXFOYSA-N	543.461	6.709	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409394727	FEFDSHBWRFAULI-UHFFFAOYSA-N	679.296	7.211	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396263	IMBIRAQIEIMLKZ-UHFFFAOYSA-N	673.997	8.908	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc(Br)cc1	409396675	AARJMYBXADDVNX-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397168	HBBNWMCORLDZFJ-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409407318	ZJRZXQSOZYSKOW-KWQVAVEISA-N	746.602	7.359	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@@H]2c1ccc(Br)s1	2187788	WXCNYJBUSDVALK-LJQANCHMSA-N	556.835	7.124	50	40	KKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	2225748	YUTRFSWAZHGHHB-MIXNUDJGSA-N	522.457	6.675	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)ccc1OCc1ccccc1Cl	2267087	OZASUKDGWSEASY-ORBVJSQLSA-N	528.223	6.019	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1I	3254396	ALQNNHKDOSWGFP-GZTJUZNOSA-N	549.195	6.723	50	40	KKGB	
O=C(COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)NNC(=O)c1ccc(Cl)cc1	3294435	VNVYBGOUSFQXBN-UHFFFAOYSA-N	505.930	5.016	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cn3)C3=C2C(=O)CC(C)(C)C3)cc1COc1ccc([N+](=O)[O-])c(C)c1	8456121	JGHPJONXRHPZHG-LJAQVGFWSA-N	644.526	6.589	50	40	KKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)cc1	10059575	CMJLCZBOWNLXLN-FIMAPBLQSA-N	509.404	6.613	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)SC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	19816551	ATTTXACFHDEILL-OAQYLSRUSA-N	511.072	5.611	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1	59856605	LFERNVWJZRIBGN-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(O)c(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	96933945	NFNZRVARHNFWMY-GDLZYMKVSA-N	554.672	5.670	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	97939496	GNODMOUEKADGEP-UHBFCERESA-N	563.083	6.344	50	40	KKGB	
N#CC1=CN2[C@H](C(=O)C3CC3)[C@H](c3ccc(Br)cc3)[C@H](C(=C(C#N)C#N)c3ccccc3)[C@@H]2C=C1	97949522	ZMPYJEBDZFLRSN-WHENYANWSA-N	521.418	5.659	50	40	KKGB	
OCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100046946	JOBQGMQWGMDRPL-SCSAIBSYSA-N	518.051	5.301	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccc(I)cc2)c1	100063248	WFJJRFWLENKVAT-AFUMVMLFSA-N	549.206	5.326	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122342	QKXVHDHMMFRTDH-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl	100124484	NZHCUOGFJGWDKE-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1	100227856	FNGQDJZLLUMMEP-ODLFYWEKSA-N	560.775	6.895	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	100336174	XAQYZTCKFIACHM-OCKHKDLRSA-N	560.275	7.506	50	40	KKGB	
O=C(Nc1ccccc1[N+](=O)[O-])/C(NC(=O)c1ccccc1)=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1	102606293	OETGACAJOOQJSH-QNEJGDQOSA-N	587.572	6.346	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(C)c1	103890814	JRVSBSCPCJDSEQ-BKUYFWCQSA-N	556.287	7.918	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(Cl)cc1Cl	150425626	QODUWOTVGMTKPY-CAOOACKPSA-N	664.352	7.543	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c(C#N)c1C	150606782	VRADKPKUVBWSHQ-DJKKODMXSA-N	660.917	6.669	50	40	KKGB	
O=C1N(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)CCCN1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1	263605255	PNAULPKXJPIJAW-UHFFFAOYSA-N	652.759	6.482	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCc1cccc2ccccc12	408527933	GTCIPIISRDHLJL-UCQKPKSFSA-N	563.289	8.407	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)Cc3cccc4ccccc34)cc2Br)ccc1OCc1ccccc1	408539904	KKNXYWCAJFBCCD-CLHYIUPASA-N	688.416	8.224	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1ccc(C(=O)O)cc1	408542365	LGXMJMHACYXMJV-NVMNQCDNSA-N	531.175	6.692	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccccc1C#N	408542820	LHOWMSSOEDFXQB-UKWGHVSLSA-N	532.350	5.152	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)c(C#N)c1C	408546483	KBASOCFOMOWPAI-FYJGNVAPSA-N	525.605	6.274	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551107	BFIYFZQSDGCQLD-UHBFCERESA-N	506.389	5.857	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553522	ZSVYMFPKLVDJPM-RQZCQDPDSA-N	631.777	7.802	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(Br)cc1	408566521	HGDKNLHGWXSGGM-OKCVXOCRSA-N	588.340	6.790	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OCC)c1OCc1ccc(Br)cc1	408567431	NGROQAMIDPBGPI-BKUYFWCQSA-N	532.413	7.235	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408568615	KQHBDAHKJFFCAE-DPNNOFEESA-N	575.731	6.820	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1OC(F)F	408602680	DECSVKSNHKOCRR-DEDYPNTBSA-N	532.547	6.262	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408637843	BHKVXHMPPPJHLN-HNNXBMFYSA-N	671.550	8.280	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)cc1	408639293	FMYVYYLIUJPWQV-VPBXCIAMSA-N	751.255	6.683	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408639560	FYJVLEJSESFHBC-FZDBZEDMSA-N	662.118	5.064	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408643609	PVFXCBBSVVXGNH-LUKWVAJMSA-N	754.215	6.856	50	40	KKGB	
O=C(NNC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccc(Br)cc1	408650967	GDJPOXGZMOVAKJ-VERLUNMRSA-N	689.393	5.415	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1OC	408741777	RXZZDFSLMLWPBG-LGJNPRDNSA-N	551.812	5.523	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(I)cc1	408742815	CCORSZJBUAFCID-ODLFYWEKSA-N	603.254	6.495	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745534	NMJMDMAXAXBZON-MFOYZWKCSA-N	546.204	6.579	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(I)c2)cc1	408746468	SUHRNHOUCFPPKW-WQRHYEAKSA-N	528.321	5.564	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1cccc2ccccc12	408748533	DQVPGWSLHANLCT-IBBHUPRXSA-N	619.286	7.493	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC)c(OCC)c2)c1	408762750	MBWLLDIEJPKAIT-MHWRWJLKSA-N	506.340	5.033	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc2ccccc2c1	408792590	BDILXKRCEBEIAW-WSDLNYQXSA-N	596.308	8.432	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408799507	ZJCKNLQFSOQMBI-XIEYBQDHSA-N	505.530	6.298	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OCc2c(C)ccc3ccccc23)c1	408821361	GPCUINOIESZIBM-TURZUDJPSA-N	633.542	8.623	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408826223	BTLCJRHICKAPNB-STBIYBPSSA-N	538.025	5.097	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OCc4cccc(Cl)c4)ccc4ccccc34)cc2)cc1	408836306	PWFDYWZGEGIXPH-VFCFBJKWSA-N	559.065	8.505	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408837373	DLXJCNCZHRMILY-FDAWAROLSA-N	580.062	5.431	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408837836	ORMCKJYVQOLMCM-QXUDOOCXSA-N	698.661	6.503	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(-c5ccccc5)n(-c5ccc(Br)cc5)c4-c4ccccc4)cc3)cs2)cc1	408840050	APUFJVBAJMUYEA-QYXAQCCZSA-N	708.685	10.513	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408840829	CAXZYESZKZXWNQ-YSYOEVFLSA-N	710.481	9.673	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408843426	MOHMGBVRRDRWAY-PUHLOBNQSA-N	756.816	8.223	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccccc1C#N	408843791	NTWNTMBTBFSMLY-HBHSWBPBSA-N	600.022	6.711	50	40	KKGB	
N#CCOc1c(I)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408845045	DXUGYFIVTGYLHC-AQHIEDMUSA-N	650.008	5.071	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408846931	RWZIPCKJBZFMFL-AABVJFSESA-N	652.401	8.966	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cccc2ccccc12	408859385	SZBJNAFIBUALFA-UZWMFBFFSA-N	537.641	5.488	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	408861135	NTWGRUMUYKLRMQ-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1	408861835	DQAZURFUULNRMX-XODNFHPESA-N	615.333	5.260	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccc(C)c(Cl)c2)cc1	408862186	XJCIKXLXMBSHNP-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccc(C)cc2)cc1Br	408862826	MRGWQQKSDPTFBJ-UVHMKAGCSA-N	585.307	5.419	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1	408863008	KATDRUYMOSWDKC-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408865133	BRMYCGJIJUFSJP-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c(OC)c1	408874301	BAQNHTSRMJVRRI-DJKKODMXSA-N	515.368	5.952	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408880412	JSGDMLGKTSHZNC-VZUCSPMQSA-N	519.020	6.463	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1	408882398	MYGIOYZTBNSSMQ-JVWAILMASA-N	537.059	7.681	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OCc1ccc(Cl)cc1	408885528	BKKAUCXILPEBBS-LZYBPNLTSA-N	624.218	6.639	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1Cl	408890517	UZOPUJSFGVBCFS-KKMKTNMSSA-N	532.474	6.433	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)cc1	408893153	FWRQAOZHQQESPY-GZTJUZNOSA-N	541.785	5.885	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1Cl	408896085	MSRFDNDKWQTXSG-VCHYOVAHSA-N	579.800	7.645	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccccc2OCc2ccc(I)cc2)ccc1Br	408905164	UNPIAWHMFCAHMG-MXAYSNPKSA-N	564.221	6.097	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OCC)c1OCc1cccc2ccccc12	408905391	YIEGNWSUFZNHIO-APTWKGOFSA-N	572.503	7.773	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(Cl)c(Cl)c1	408913388	TYZDSKDMZHBWIA-OKCVXOCRSA-N	556.471	5.642	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408944476	MPCKBDQXIUGUDJ-DBSPGSINSA-N	651.561	7.314	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c(OC)c1	408955922	PQKKYTSRVLPNNQ-YGRCFMMQSA-N	720.006	6.353	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408969075	GXUMTBQLXSWSDY-DVAMMYLFSA-N	556.490	5.941	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)cc(OC)c1OC	409003516	SKTFDAGVLSIOAH-KVAAJVFYSA-N	711.363	6.473	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409003720	UKNBFYZBXRXYPE-BIZUNTBRSA-N	566.570	5.537	50	40	KKGB	
CC(C)C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1	409014080	LYNNBVRVYZACRA-BLTJSFDWSA-N	598.325	5.498	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409016894	UDQSRXYHNLAXBB-KULFSUQXSA-N	711.451	7.175	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1O	409018428	UYYQLYHZHVTSKZ-XJEOFYLJSA-N	550.483	5.275	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1	409031975	HSMXTNCQVUKYAI-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409046861	LAQSCUIVPWFMQR-OHUYPAJKSA-N	658.452	6.766	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409063993	FOLGIVVQXUEHKG-SFQUDFHCSA-N	517.390	5.705	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(I)c1OCc1ccc2ccccc2c1	409089150	HJYOZWOZSHWDHU-MWLSYYOVSA-N	551.384	5.581	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409123337	GFMPMMPWBUVZAC-VWLOTQADSA-N	510.009	5.441	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCc4cccc(Cl)c4)cc3)cc2)cc1	409126482	ONCGOCQHCXFSLS-ZCTHSVRISA-N	548.064	5.816	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)ccc1OCc1ccc(Cl)c(Cl)c1	409130808	NLKMOMQXKUDOQG-XAZZYMPDSA-N	534.399	5.845	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409142827	BNVJKXCFJVOMHE-FQEVSTJZSA-N	550.240	5.983	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)cc2c1	409186991	KOVWLUWTCKSROU-OHUYPAJKSA-N	525.580	6.721	50	40	KKGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1	409188466	ZKSLHTOZVQYQEZ-ZMFRSBBQSA-N	548.231	5.328	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2Cl)cc1	409220105	YGCBOBSXRDGTID-MBTHVWNTSA-N	522.945	5.216	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc(OC)c1OC	409220402	YTTUQQWLJOLYLI-UHFFFAOYSA-N	701.357	7.017	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)cc1	409254805	FTABJQYZBBKPIB-QGOAFFKASA-N	554.828	6.064	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	409257242	PJOUCGKAEXXSHQ-APTWKGOFSA-N	558.034	6.099	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccccc1	409259547	ANBHVAXJXZCRON-DPNNOFEESA-N	582.085	6.989	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(Br)cc3)c2)cc1Cl	409260598	SQJYOFIDHJAXBK-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1OCC	409312498	LUKJKARBFOBRNB-MWLSYYOVSA-N	527.390	5.895	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409313278	PDRKXOOEKWQFDO-AQLQTECXSA-N	581.931	6.629	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OC	409313437	PXMSRCCEPSUZPL-FDVSRXAVSA-N	530.408	5.572	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(I)c1OCc1ccc(Br)cc1	409342328	BGXDYKIJBQJWOS-KVSWJAHQSA-N	612.237	5.343	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)cc1	409362519	HEYYTDWCQZZXNK-LQKURTRISA-N	521.402	5.549	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1c(F)cccc1Cl	409370559	ANRAHAPGWVPODR-FXMZOFOKSA-N	607.716	5.890	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2O)cc(I)c1OCc1ccc(Br)cc1	409370569	AIJUAMMUNDEPLE-LGJNPRDNSA-N	595.231	5.501	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409372736	IEXSGELKBHFJHG-AMVVHIIESA-N	741.161	7.163	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(OC)c1	409372750	IUXKTWXVUYKYQO-FJEPWZHXSA-N	584.385	5.944	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCc1ccccc1Cl	409380128	IPCJIHPIZUKYTE-JAIQZWGSSA-N	528.834	6.176	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12	409393665	YWQMUHPMKUEBFZ-WCMJOSRZSA-N	558.423	6.010	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409394609	CTDNEHLOIWIHNJ-UHFFFAOYSA-N	685.294	8.362	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccccc1	409394766	FPNXDHRMDFSTPG-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(ccc5ccccc54)c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396231	HSFACZHTVZIMOR-UHFFFAOYSA-N	676.169	8.821	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396454	RLCVIWOOIYGMSX-UHFFFAOYSA-N	684.896	8.651	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396456	RQFRTCOOQCVFPH-UHFFFAOYSA-N	563.610	6.234	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409398772	VQOMKYVVIKWFPA-UHFFFAOYSA-N	563.610	6.234	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409400981	FVMJFBHJHKXSDJ-DBSPGSINSA-N	634.689	7.254	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC(=O)Nc1cccc(F)c1	409403164	LZBHCYRUWPXJJB-BOABNOFISA-N	664.734	7.314	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(N)=O)c(Cl)c3)o2)cc1	409405105	SCOJGYIUNJYSOR-AAPHRLRXSA-N	555.418	5.201	50	40	KKGB	
Cc1ccc(-n2cccc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1C	409407825	IFIYNOCWHVBPES-MZFJOGFUSA-N	506.606	6.438	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)cc1	1815130	ULYMWMCMKUKWHR-JFLMPSFJSA-N	537.001	5.137	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	2188797	YHZRXEVLJIHDRU-QHCPKHFHSA-N	546.649	5.653	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccco1	2205991	VFSZVBDGTMXTMJ-HSZRJFAPSA-N	503.555	5.187	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3)nc3sc4c(c3c2=O)CCCC4)cc1	2218066	JVEZJGCOSVTUSQ-CCVNUDIWSA-N	523.083	5.530	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)sc(C(C)=O)c1C	2351889	JMPGUOGUEZFIIN-ZROIWOOFSA-N	506.436	6.843	50	40	KKGB	
Cc1ccccc1N1C(=O)[C@H](Cc2c(Cl)cccc2Cl)S/C1=C(/C#N)C(=O)Nc1ccccc1	2371776	WDIVLBRZDYIKGQ-OWJYGESUSA-N	508.430	6.367	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	2670794	LTSAHMIGMXRJKE-MHWRWJLKSA-N	514.821	7.500	50	40	KKGB	
COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)c2)cc(OC)c1OC	6074285	OVRSTRRVADPWAH-ALQBTCKLSA-N	576.690	6.175	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1	6089745	GXHWSRRTMXSNFV-KCSSXMTESA-N	550.571	5.191	50	40	KKGB	
O=C(CCCl)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1	6446808	SDVYTLPZLUBDGF-HSZRJFAPSA-N	579.838	6.172	50	40	KKGB	
O=C(N/N=C/c1cc(Cc2ccccc2)cc(/C=N/NC(=O)c2cccc(Br)c2)c1O)c1cccc(Br)c1	8399393	CUEUQBBBSDJKCO-NIRJMVPRSA-N	634.328	6.036	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1	8457128	HYAGGROAYXSWTE-WXVUHYIUSA-N	629.544	6.980	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3)n2-c2ccccc2)cc1OC	9271726	DJTIJSIOVYMJQA-QRQIAZFYSA-N	522.030	5.237	50	40	KKGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccco2)cc1	36040326	BDTPACHQOZSPKC-HTMTZWDRSA-N	509.400	5.813	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965744	VDVLGGHBGPBPIT-DVRIZHICSA-N	577.460	6.222	50	40	KKGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br	98001730	QQAYAUSHXMAFIN-VPUKRXIYSA-N	656.100	5.213	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)=C(C#N)[C@@H]1c1ccc(Cl)cc1	98048675	HCBKLURPLVYYFE-QFIPXVFZSA-N	561.845	5.668	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048771	WBXKAOWVAACFPK-HHHXNRCGSA-N	561.063	5.761	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	100239808	MNWOIICTDPUYHS-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
Cc1cc(Cn2ccc(C(F)(F)F)n2)c(C)c([C@H]2C(C#N)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CCC3)c1	100250943	SRGQFYCBOQHXKS-MHZLTWQESA-N	566.027	6.834	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1)c1ccncc1	100474785	ILJBSOOHXKRLDW-FJEPWZHXSA-N	572.603	5.906	50	40	KKGB	
CCOc1ccccc1/C=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3	100852459	ZRRASVPNXWXWFB-MWLSYYOVSA-N	532.691	5.276	50	40	KKGB	
N#C/C(C(=O)Nc1cccc(Cl)c1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	100889035	JBJMIZBJOBUGMB-UTDQILSNSA-N	528.848	6.712	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1	100989478	KZLFMZZYLMZXGN-JSIHEXFSSA-N	573.299	6.821	50	40	KKGB	
N#Cc1c(SSc2nc3c(c(C(F)(F)F)c2C#N)CCc2occc2-3)nc2c(c1C(F)(F)F)CCc1occc1-2	101023554	AGDMBXKXTRAXIX-UHFFFAOYSA-N	590.530	7.774	50	40	KKGB	
N#C/C(=C/c1ccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1)c1nc(-c2ccc(F)cc2)cs1	101047586	IQPQCPADHKVDID-NQGGHMMCSA-N	534.616	8.340	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1	103880040	XISBYQVBBSNHFL-LLWBAHTNSA-N	606.814	9.092	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCc1ccccc1Cl	108343749	BNZUZJCNDXBIGK-KBVAKVRCSA-N	598.868	6.768	50	40	KKGB	
O=C(CCl)Nc1ccc(-c2ccc(S(=O)(=O)c3ccc(-c4ccc(NC(=O)CCl)cc4)cc3)cc2)cc1	113482033	WPDBRGSTNIBSPL-UHFFFAOYSA-N	553.467	6.208	50	40	KKGB	
C[C@H](CCC(=O)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	118914441	IDKDEJKAOLGAAX-OMANRIADSA-N	604.619	6.173	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc2ccccc12	150365079	JYDQJKQCTHWKQW-BKUYFWCQSA-N	643.308	8.275	50	40	KKGB	
O=C1[C@H]2C[C@H](Cl)[C@H](SS[C@@H]3C[C@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@@H]3Cl)C[C@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl	150399418	BCRRQTMYMQMOAZ-XRVFDCEDSA-N	833.172	8.276	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccc(F)cc1	408540775	BOXPNKONXOHMGX-GRSHGNNSSA-N	539.357	5.810	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(F)cc1	408541086	DQORVXTYUIPKBK-GRSHGNNSSA-N	539.357	5.810	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccccc1Cl	408544099	RVYQORKEBGSOKX-GIJQJNRQSA-N	541.785	5.934	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551564	NQIKIFZEZMVAPB-RQZCQDPDSA-N	634.326	7.535	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Br)cc1	408565749	ABOLCQIOVPALBS-ZMFRSBBQSA-N	624.229	5.704	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccc(Br)cc1	408569279	MSFJRHARPOEGJQ-PXNMLYILSA-N	557.217	6.879	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1Cl	408581655	YLRVCGPAHKXDRB-LZYBPNLTSA-N	570.641	7.903	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)CC2=O)cc1	408601918	CGVPCRXAIYZQAI-LJQANCHMSA-N	528.436	5.640	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)CC2=O)cc1	408603309	GGZZTQZGVQEVPS-QGZVFWFLSA-N	530.408	5.086	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(Cl)cccc1Cl	408609173	JNXYAAIJPBPCBA-FJEPWZHXSA-N	528.436	5.795	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1	408637234	HWWANPZUAWLXNK-UKJJDJLKSA-N	614.113	7.720	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408644084	GVGPNUUNVKDBFP-HSPNGBHYSA-N	709.621	6.148	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408649654	YVBQPBVZOPPRTM-BDXSIMOUSA-N	647.147	5.164	50	40	KKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCc1ccc(Br)cc1	408691944	ZHVAJWSUDVKIND-GRSHGNNSSA-N	553.254	6.756	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2I)c1C	408710765	JPVWRQSFNXNJSP-WYMPLXKRSA-N	552.210	5.234	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)c1	408743616	BNKFTQHUANSKRT-NHDPSOOVSA-N	532.394	5.853	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1	408753482	JBUDLNFMIQKILO-JVWAILMASA-N	533.656	5.460	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1)Nc1ccc(Br)cc1	408759140	YLEFMJABGVWBNL-LQKURTRISA-N	502.368	5.384	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1ccc(I)cc1	408779474	FGSQFTBFPLXRPQ-YSURURNPSA-N	617.079	5.693	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc2ccccc12	408781137	ADIQUTYGCFEDAG-HFTWOUSFSA-N	517.629	6.073	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789292	IOGWRCAEWXLUIP-TURZUDJPSA-N	636.489	8.148	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408791614	ZNXSAXAGSGAEPC-GIDUJCDVSA-N	673.088	7.393	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1Cl	408793152	DEQWAWRYVCESAC-WOJGMQOQSA-N	590.699	7.388	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408795679	VWCHPCGYYYLLDF-WGOQTCKBSA-N	506.558	6.150	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408807675	DIVPWAPJIQCJHI-KMUKQRDJSA-N	688.376	8.229	50	40	KKGB	
COCCCNC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408811627	VZKRMDYMMHLAKK-UDWIEESQSA-N	652.270	5.688	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1	408814428	PLGBRHROQDMDDE-YBFXNURJSA-N	525.786	6.014	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1cccc(F)c1	408814494	HCDRTELJFDLDOI-MFOYZWKCSA-N	546.311	5.703	50	40	KKGB	
Cc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408829946	PBKSJJNYNZTEJU-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC	408831736	HFUCNBKOIJVGAU-DEDYPNTBSA-N	509.389	6.691	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCc1ccc(F)cc1	408835031	VVXXCXLYTRQLQG-GIJQJNRQSA-N	636.845	6.624	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838087	BZWVOYOSKFKULB-BHGWPJFGSA-N	501.793	6.327	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1	408840586	ZKASOIVVRVRULU-ZZWNKLDXSA-N	638.145	7.897	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5C#N)c(Br)c4)cc3)cs2)cc1	408841249	DVEDBMZSRSXFHL-MWBNBJEGSA-N	622.548	7.839	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccccc1F	408843501	LTCKCJHXEVGNPA-KULFSUQXSA-N	679.999	8.850	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccc(C)cc1	408855763	DFZHSFXUMCLYHR-GOJREDGKSA-N	607.732	6.472	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1Cl	408856982	IWJSKEJWASPXOX-PUHLOBNQSA-N	642.402	8.297	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc2c(c1)OCO2	408857927	NREPUBZMXFLXMR-BIKKEBSBSA-N	599.687	7.261	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408859688	PAVXDVGSNJMGQK-KVAAJVFYSA-N	691.431	7.074	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408862475	KAQJSOQLISUZMN-CCVNUDIWSA-N	568.320	6.976	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c2cc(Cl)ccc2OC)cc1OC	408867943	MPBWLOYAZPBRPX-KULFSUQXSA-N	767.482	6.715	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1	408868755	BEBOTMGJDLIXTI-FMFFXOCNSA-N	576.118	6.135	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408885847	FVXGXTLTIKDQQZ-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl	408899841	RATCOMYCZKSPSF-LDADJPATSA-N	566.238	7.674	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OCc1ccc(F)cc1	408926228	WHADLYGAIBSUOO-MWBNBJEGSA-N	569.117	7.450	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)cc1	408943555	LPOZRIUJAKFFHU-GXBUFBABSA-N	515.617	5.723	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1	408954493	XEVSHTMGTGUQCZ-RHKOWXKBSA-N	580.644	7.857	50	40	KKGB	
Cc1cccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c1	408954854	NPTQCRLNPUCPJV-YNQHOAAXSA-N	580.471	6.268	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408956472	XEMCYETXOPDLLU-BKUYFWCQSA-N	561.013	5.642	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(C)cc1	408961706	DLVWQNQLETUUTL-UVHMKAGCSA-N	538.354	5.763	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(Br)cc1	408968556	XEZQQSHTBDGBJN-KVSWJAHQSA-N	516.754	5.465	50	40	KKGB	
CCCCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408968964	DSBDJJUJUFRKQU-DCUKZYAVSA-N	665.412	6.589	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	408969146	IBVOXQABYDIPAB-PARITGQJSA-N	518.828	5.292	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1I	408981898	DMUDVEMRHFSXEF-ZSOIEALJSA-N	602.597	5.415	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1cccc(C)c1	408984520	RRZNJBVGVGXWNX-CIAFOILYSA-N	586.857	7.085	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1	408991627	OOLJQNDBOHRJEL-IQIUKSJCSA-N	761.282	7.822	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408997528	HAQLLXRLANQPKY-ORBVJSQLSA-N	621.540	7.523	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1F)c1cc2cc(Br)cc(I)c2o1	409009875	AGMIZGQDKGWWRP-IPBVOBEMSA-N	672.086	7.044	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC	409012109	HOADQWAYPAFNFA-KWWOKKGBSA-N	661.380	5.813	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc2OC)cc1	409026383	NMRLGFGXWAZLTO-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl	409026426	OMMSLXOFNPILTE-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
Cc1ccc2c(c1)c(/C=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)c(C)n2Cc1ccccc1	409034195	MSHAWEFSNVXWSC-IPHFVPNQSA-N	508.625	7.286	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409044426	CBGBMEMMBIGYFS-LZYBPNLTSA-N	614.643	8.008	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1	409047214	NTTNTVMGYWHTIE-VCHYOVAHSA-N	514.173	6.763	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccccc1F	409068598	UJPIKNGNMWQMCH-FYJGNVAPSA-N	510.487	6.706	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409075641	SOOFWVHUNZPMAG-VCHYOVAHSA-N	505.324	5.940	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	409082340	PSXPMDCLEGFMKD-CXUHLZMHSA-N	552.883	5.290	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1	409118104	SKQUOEMDDSESNK-GATIEOLUSA-N	510.786	6.235	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1Cl	409146461	RXLMIDKRGHCMGJ-XKJRVUDJSA-N	627.262	5.997	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc21	409149653	MHADHUOGTBHJHC-VPBLMEEESA-N	621.049	5.152	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	409184483	LKFWFKJPVVHBLB-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccc(Cl)cc2)cc1	409219255	OVGALOCWKFDKEF-DNBSRKPQSA-N	572.448	6.557	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccccc1F	409220598	BYOYDJZZRSISNV-CTPANLQCSA-N	556.375	5.802	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409225879	RYYJUHYZFUNHCE-UHFFFAOYSA-N	517.925	5.177	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1ccccc1	409232562	REKZOOWQJCRXSV-VYZAVGSRSA-N	505.368	5.511	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409247532	CWPRCWMFBXXIRM-UDWIEESQSA-N	538.431	6.572	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccccc1	409247928	IQFBLVKYCLHMNX-VBNMEBLOSA-N	668.700	6.913	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1C	409257610	STPPUHBQEMMJOT-HCXDNJAASA-N	510.421	5.692	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409257975	VQERYOWZZILBDI-WSDLNYQXSA-N	518.013	6.145	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409260761	VVOAZKIEUBJZFU-LPYMAVHISA-N	518.013	6.227	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)ccc1OCc1ccccc1	409266662	KTIOMOLMGOITLH-APTWKGOFSA-N	558.034	6.099	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)ccc1OCc1ccccc1	409317438	QOZQPIWHXUWMAJ-KYHGBAKBSA-N	579.878	7.033	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC	409317865	WKVNOHJQLMXWEW-MNDYBZJGSA-N	558.418	5.357	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OCC	409320512	QFBVXHMLHBTULS-YKQZZPSBSA-N	518.566	5.090	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)ccc1OC	409337590	ZLPCBFJMASZYDJ-MBTHVWNTSA-N	567.447	5.331	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409381503	MRNHWBDBPNPSGQ-KKMKTNMSSA-N	557.714	5.816	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386710	RMVBIZCPVDKVJL-LUOAPIJWSA-N	717.710	7.015	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl	409394692	DRSOFOQOIKWIPA-UHFFFAOYSA-N	763.213	8.501	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395725	QZYCOVXVJQIGOO-UHFFFAOYSA-N	704.177	8.789	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12	409397487	KJMDYWJKXMCDDE-UHFFFAOYSA-N	507.977	6.780	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409405684	UNJWQMKPEUGZHA-RODHXAHZSA-N	707.965	7.942	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c([N+](=O)[O-])c1	1529548131	AILNMHFNXFNKGC-ROKSKZBTSA-N	716.998	5.475	50	40	KKGB	
Cc1cc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccccc1Br	650789	DLBDLBHVWLPIGV-QFQXNSOFSA-N	513.439	6.239	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/C(C)=C/c3ccco3)nnc2-c2ccc(Cl)cc2)cc1	1764104	HFDRZYUTENTASD-UGADMOPASA-N	522.030	5.877	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(=O)OC)cc3)nnc2-c2ccc(Cl)cc2)cc1	1820626	XQPVUVJSXQZFSJ-MUFRIFMGSA-N	550.040	5.015	50	40	KKGB	
N#C/C(=C\Nc1ccccc1I)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	1902788	YDMWFCSXQPNANZ-JLHYYAGUSA-N	576.213	6.260	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1O	2097267	HDNZUOQCYDTACH-RPHGZPOOSA-N	557.079	6.023	50	40	KKGB	
CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CCCBr)c2ccccc12	2173049	LFHVJJRATHKHCV-UHFFFAOYSA-N	504.468	7.813	50	40	KKGB	
Cn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1ccc(Br)cc1	2335454	XCRFQCQYCXODPS-JFLMPSFJSA-N	536.455	5.066	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)ccc1OCc1ccc(C)cc1	2335889	ASQCEAXSIADIKU-OCSSWDANSA-N	527.581	5.198	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2F)c1OCc1c(F)cccc1Cl	2407883	LSIIZHTZMHCKIE-MHDJOFBISA-N	549.961	6.222	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)nnc2-c2cccnc2)cc1	2698171	DYTOGGWYIACFLM-CCVNUDIWSA-N	527.437	5.277	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)c1ccn(Cc2ccc(Cl)cc2)n1	2738952	KSUBUTZDPWIOFI-VTNSRFBWSA-N	573.878	6.843	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1c(Br)cc(Br)cc1OC	3113067	WFUNUWVCCGISNP-BRJLIKDPSA-N	536.220	5.301	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OCC(=O)c1ccccc1	6906917	WWAYLEGJTNQKOC-MTJSOVHGSA-N	531.431	6.907	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1	8400388	CGBRVUXWIGEGFH-FMFFXOCNSA-N	576.118	6.388	50	40	KKGB	
Cc1cc(OCC(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)cc(C)c1Cl	59222248	GMHKPBNXRSMELB-GEVRCRHISA-N	569.475	5.479	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	59646738	BZXSGNOUPGCUGZ-QNKGDIEWSA-N	528.077	7.180	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1Cl	83306386	KZZNGHULPAJYBV-UCMJSZAQSA-N	510.424	7.882	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	100029940	DNCQFCGLLFCLDK-FMFFXOCNSA-N	608.116	5.672	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1	100063198	STQLJVMMIOWTPJ-LGJNPRDNSA-N	536.651	6.137	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccc2c(c1)OCO2	100178554	AAVHDAGBXWGPFM-IAWLAYCDSA-N	576.008	5.035	50	40	KKGB	
Oc1ccc2ccccc2c1/C=N\c1ccc(SSc2ccc(/N=C\c3c(O)ccc4ccccc34)cc2)cc1	100889920	OYYWMKMEJOQZFW-XEMPJQOTSA-N	556.712	9.705	50	40	KKGB	
N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1	100902345	XIDDZGSJPXGNSY-ZYGWBPEKSA-N	528.848	6.712	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)n2)cc(OC)c1OC	101389699	CRHUKCPGDBLGMB-LPEPFOFCSA-N	581.576	5.958	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	101701099	FBWZWBYJNXCYSD-ZDLGFXPLSA-N	527.205	6.752	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cc(Cl)ccc3OC)=C(C#N)[C@@H]2c2ccco2)cc1	102513421	GFSINWRALIMWGU-HHHXNRCGSA-N	607.088	5.825	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	103883849	HDGWSDFUWUAFCZ-PLRJNAJWSA-N	592.612	5.959	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1CCC(=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1	104614451	JODWIKLPMKKDBJ-OKILXGFUSA-N	574.292	6.053	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	105410311	XUZHIUVWUCQOSM-RUMWWMSVSA-N	605.514	5.437	50	40	KKGB	
N#C/C(=C(/C=C(\CC(=O)c1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	150339940	DJWDGZLINXMBMC-DFNITTPMSA-N	628.320	8.911	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	150385243	WWZMNNIXFVVDHZ-QLQYKETESA-N	631.585	7.560	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795429	NAMXYIYFDXSAPT-IYBDPMFKSA-N	814.262	11.721	50	40	KKGB	
COC(=O)C1=C(C(=O)OC)C(C)(C)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=C[C@H]1O[C@@H](C)c1ccccc1	195796023	NKNDDTLCCIYPFN-SUYBVONHSA-N	612.839	6.318	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)c1nc2ccccc2[nH]1	408554138	ZSVNRWILISNDAO-VGOFMYFVSA-N	621.116	7.476	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(Cl)c1OCc1ccccc1Cl	408607671	NPCGZOCSQWFOBW-INIZCTEOSA-N	518.372	5.216	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)c1	408640700	BNHWLQAKPMKJRR-NCPQUSJXSA-N	779.265	6.239	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1-c1cccc2ccccc12	408724142	GIMXIBZOGLOKMZ-SEBMTOOBSA-N	615.531	8.106	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1	408746087	XFCYXWOEUXGBMS-NVMNQCDNSA-N	638.218	6.468	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1	408752844	CSCACGZSAVUSRB-CCVNUDIWSA-N	555.372	5.237	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc2ccccc12	408765330	XURUTPJYTWRVDX-FYJGNVAPSA-N	596.308	8.432	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(I)cc1	408767964	RPZMKTPZPZVSTM-KQWNVCNZSA-N	672.361	6.287	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1c(Cl)cccc1Cl	408777685	FXQNEAZDFMFQNR-UNOMPAQXSA-N	621.302	7.684	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1ccc(C(F)(F)F)cc1	408784614	VXPQXRSVVWIFQV-DHDCSXOGSA-N	512.793	8.142	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccc(F)cc1	408786291	OLGQPOWOVFRMDJ-JAIQZWGSSA-N	509.375	6.338	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(F)c1	408790428	WCTQVGUZPGHEAO-KEBDBYFISA-N	509.375	6.338	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cccc(C)c1	408790712	XVATZLQSCCUAFZ-GIJQJNRQSA-N	593.248	7.040	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1	408791998	GJDCVAPMAVLDIL-XDHOZWIPSA-N	525.786	6.014	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2Br)cc1	408793571	PNEVPIWIDPPNFZ-RGVLZGJSSA-N	540.255	6.953	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408794781	JXRZGQFTHGUYPQ-GIJQJNRQSA-N	588.785	5.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(C)cc1	408795176	LLOTXOMQDSRNHM-UDWIEESQSA-N	617.281	6.886	50	40	KKGB	
CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408799206	YKSYERVJKVBBIZ-KGENOOAVSA-N	535.394	5.516	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1c(C)ccc2ccccc12	408804215	DHQVPOIPDJEAOE-RGVLZGJSSA-N	643.308	8.193	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408809342	RLOVTKIREWNDFD-ZVHZXABRSA-N	580.466	6.994	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1OCC	408813989	GKHUHEDXZGNVMC-RBVAJZFBSA-N	546.067	5.174	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c2cc(C)cc(C)c2)cc1OC	408832574	RHYVMDUMBATRJU-YSYOEVFLSA-N	765.510	7.323	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1ccc(F)cc1	408839764	ADCRTMHMLSLMHQ-XAZZYMPDSA-N	528.531	6.316	50	40	KKGB	
Cc1ccccc1NC(=O)N/N=C\c1c(Br)c(C)n(-c2ccc(Br)cc2)c1C	408852768	NDNAMBGWHOHUBE-MSXFZWOLSA-N	504.226	6.083	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1C#N	408853229	QBOJMKWVFZFGRW-DBFSUHOCSA-N	583.236	6.181	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)cc1	408867458	KZCUIQROSUADOD-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccc(C)cc2)cc1	408869540	SHELFXLABYBMDK-AJBULDERSA-N	559.713	5.642	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408878769	AXFOQSNEBCINDS-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408889779	HBGWRLDNJXMQDG-LDADJPATSA-N	520.925	5.210	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1c(Cl)cccc1Cl	408890691	XSSMFSWTYJMQIH-QGOAFFKASA-N	566.238	7.674	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OS(=O)(=O)c1ccccc1	408891507	RPFFGQVZDIVVGN-MHWRWJLKSA-N	643.286	6.310	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccc(Cl)cc1Cl	408893026	DSYPMFKNJJQJTK-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2Cl)cc1	408897862	UJGAYYYINMAANO-RPPGKUMJSA-N	527.813	5.252	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924826	ORJGFILFAUMZGT-GZTJUZNOSA-N	560.415	5.274	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)c(OC)c1	408947574	BBVYXQBBQAGOAW-SXWOMVPGSA-N	762.985	5.261	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1cccc(F)c1	408967543	QTXYFTOPCWNVKI-VFLNYLIXSA-N	514.326	5.341	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1O	408969117	HOBONFMALUJINS-IAJWJZDXSA-N	584.500	5.471	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(Br)cc1	408979181	POUQCDKOOBPVCD-KGENOOAVSA-N	540.421	6.131	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408981249	VNUBPFMJHBECJI-BXPUGBIQSA-N	542.976	5.068	50	40	KKGB	
N#C/C(=C\c1ccc(SCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1	408991677	OVIOONHUNYFFGD-HYARGMPZSA-N	508.559	6.024	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409048532	RQTKKTWHQGFCFM-LPYMAVHISA-N	595.437	5.239	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc(Br)c1OCc1ccc(Cl)cc1	409141393	HUOCPRMIZMKDAH-XJECJHNESA-N	718.985	5.946	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	409183036	AAIODPVWIXYZFT-KVAAJVFYSA-N	732.009	6.261	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(I)cc3)cc2c1	409186802	IABZCDCWVHUIQV-MUXKCCDJSA-N	619.253	6.542	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409188519	ZVAALYIBRKKQBQ-UKWGHVSLSA-N	562.265	6.799	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12	409210522	JHTVMWSAQYLXDM-RWPZCVJISA-N	505.983	6.223	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1	409219907	RNPZTEFSDGNYFG-PPDIBHTLSA-N	536.260	5.359	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409224093	IYJVWEBRXFTTKT-LQNQUEJISA-N	542.935	5.484	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)o2)c(Br)c1	409238881	OESSSRDPPZZZSK-NUGSKGIGSA-N	557.036	6.012	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	409254114	HRNXGWGYDWRHIH-QDYAICPJSA-N	561.263	5.838	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2)c1C	409254834	IXLPTORWOJCQMU-MWBNBJEGSA-N	610.139	7.605	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409271992	XFUACSIMYGDLMK-MUXKCCDJSA-N	569.412	5.154	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1	409273287	WXAURBKBAUIROA-CCVNUDIWSA-N	563.823	5.485	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	409310586	VXIKJESJEUNZOE-CAQPMQTCSA-N	577.475	6.751	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2Cl)ccc1OCc1ccccc1	409311441	GMLCMQVNCRVHOQ-DLCNMLRHSA-N	672.801	8.186	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1OC	409313516	CFOLRIFRDQRFJX-NVJOKUIPSA-N	625.701	5.664	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)ccc1OCc1ccccc1	409315582	WARSDVNUNLKCKN-FZPRHHONSA-N	667.354	6.581	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1OC	409321907	HUJFZWQEGYSQGK-UHBFCERESA-N	557.416	5.903	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409337269	XOFNIJSUQCTURB-FDVSRXAVSA-N	674.795	6.584	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1Cl	409366836	ZCVMMJAOFNJMIE-FMQZQXMHSA-N	580.205	6.978	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1	409373099	QUEUVECJVRJHMH-NTFVMDSBSA-N	518.367	5.782	50	40	KKGB	
O=C(NNC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409378358	OQPCLOJULUUTKD-FTJBHMTQSA-N	698.899	5.196	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccccc1C#N	409385251	ITXACUGVVDRDSW-XODNFHPESA-N	612.405	5.637	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409395028	IZEYHRHYLFFVQM-UHFFFAOYSA-N	668.897	8.815	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1	409395350	MNXPRMJYIQPMGF-UHFFFAOYSA-N	760.664	8.768	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)c1	409397627	MBGQBVCJMJHIIG-UHFFFAOYSA-N	542.422	7.433	50	40	KKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409402978	XZEARMJXQNGHNF-MUKWFXSPSA-N	515.610	6.216	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OC(C)C)o2)cc1	409403961	OUHPWDFIQPCXQH-MNBJERMJSA-N	514.626	5.883	50	40	KKGB	
C=CCOC(=O)NCCCC[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	575431803	ZFWAEVQMHYNGJL-ACHIHNKUSA-N	747.802	5.716	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccccc1F	1529548516	ICXQZQRFJKPMSX-BTEHTESLSA-N	646.741	5.027	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	1088385	MNFYTNKBFSKSBC-SANMLTNESA-N	514.676	6.072	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CC[C@H](C)C2	1783408	LECQRYMNQNEDKK-LUYJPIOASA-N	529.445	7.162	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1OCc1c(F)cccc1Cl	1784297	FMVAYPLMOYTDOT-ZHSUKTGHSA-N	577.037	5.655	50	40	KKGB	
O=C(Nc1ccc(Cl)cc1)NN(C(=O)Nc1ccc(Cl)cc1)c1nc(-c2cccc(O)c2)cs1	8754406	BFVVRAHQYQIEPV-UHFFFAOYSA-N	514.394	6.598	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccccc1C(F)(F)F	9379638	FHFKKKPCZYXPRD-IPPBACCNSA-N	521.996	6.365	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)c1ccc(I)cc1	10118665	OKLHCXDDAVBIAH-LGJNPRDNSA-N	513.766	5.712	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)c2cc(C)n(C3CCCC3)c2C)c(C)n1-c1cc(C(F)(F)F)ccc1Cl	12560829	PHJCELNOSGLPCF-FYJGNVAPSA-N	513.991	8.090	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C/c1cccc2ccccc12)N/N=C/c1cccc2ccccc12	16990615	QOXULTXUMQBZSL-IENBMRAWSA-N	506.650	6.714	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3Cl)c2C)c1	20243657	ZISXIQYQVHFKAA-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1F	20348436	RNOQZICPWGSEDT-RUZDIDTESA-N	505.615	5.548	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1Cl	22823376	UNKSNHXLRFAUTE-ZCTHSVRISA-N	500.982	5.314	50	40	KKGB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C\c3ccc(OC(F)F)cc3)c2C)c1	33691998	KJHCSNUDJKZETE-JMIUGGIZSA-N	508.477	5.059	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	36080543	ZKWCVFYJMKLLSH-PBSQBQITSA-N	513.663	6.163	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(C)cc2)cc1	59881815	RTULBRBNVJNWGP-UZWMFBFFSA-N	537.641	5.656	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1F	100119243	CYWFUXVKCJKOQT-KBVAKVRCSA-N	553.059	5.617	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	100124249	XBPIEFHLWUMBCN-STBIYBPSSA-N	610.490	5.110	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)cc1	100196342	NFYGZYCCZSTADY-RCCKNPSSSA-N	553.531	6.257	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240136	OUAOBOKTCNSUEG-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cc(C)cc(C)c2)cc1OC	100304308	BQWRNSHXRGVVSN-DPNNOFEESA-N	592.693	5.213	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)ccc1OCc1ccccc1	100852687	YRRWHXNCGMQQBP-FMFFXOCNSA-N	569.731	6.589	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528942	SUHZKSAMHAWFTN-UWTATZPHSA-N	592.002	7.117	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\C[C@@H](C)/N=C\c1ccc(N(CCCl)CCCl)cc1C	104077259	KWDFAEPQSXAGLR-SZGQTDNUSA-N	558.425	6.798	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1Br	104804889	RMVFXADXULHUFY-DNTJNYDQSA-N	515.252	5.072	50	40	KKGB	
FC(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341981	UQKPUIZKFUNQKP-UWTATZPHSA-N	642.009	7.752	50	40	KKGB	
Cc1noc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N/c4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3O)cc2)c1C	150398574	CLWFVZOMHLWLGS-JUVGSLAESA-N	826.701	8.930	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	150468855	UFXJPWBXIMGOQQ-KBVAKVRCSA-N	629.964	5.864	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2I)c1	150473561	VGTSDEIBQBEWAO-DJKKODMXSA-N	664.237	6.027	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccccc1	150496501	CDUGMSFSXFOGQR-YVLHZVERSA-N	685.097	6.783	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)oc12	223505699	SBKWMWAJUKDXTG-IPPBACCNSA-N	524.459	6.687	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539795	JTSMYROKELRQLF-AEVGBRMKSA-N	613.032	7.688	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550314	CPKWCRWYLFEZEY-AQLQTECXSA-N	583.497	6.605	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccn1-c1cccc(Br)c1	408568883	LJQCMBDCSVFQOU-ZVHZXABRSA-N	502.459	5.248	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(C)cc1	408578805	BBYPFQVHMNOZLH-RGVLZGJSSA-N	560.229	7.014	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c(C)n1-c1ccccc1Br	408586881	CVFIFJIVEILPFK-BRJLIKDPSA-N	551.226	5.023	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)ccc1OCc1c(Cl)cccc1Cl	408612299	YCTQUGPALRCPFC-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408672638	OHOWYWSZFPUGMZ-ZYGGUILKSA-N	554.666	5.327	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(I)c1OCc1ccccc1	408710695	VYCKREJOOAVJFA-JFLMPSFJSA-N	560.388	5.050	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	408725529	JQMWEYLXAGIBCX-MOSHPQCFSA-N	555.856	7.025	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)OCc1ccccc1	408736559	CNYDNBVXMUWOPQ-RLBQRJEFSA-N	546.627	5.735	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408741299	IGBVFFQUQLBDNS-MFOYZWKCSA-N	579.221	6.731	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Br)c2)c1	408746460	STEIZUJOSGMPFS-JAIQZWGSSA-N	525.830	6.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408757162	VDTICYWTYVSFPK-WOJGMQOQSA-N	714.319	5.916	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1Br	408759100	XUTPYNUODNBGSM-LFIBNONCSA-N	516.178	6.521	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C	408775862	VTYBPXRLOATYSN-WYMPLXKRSA-N	552.210	5.234	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccc(Cl)cc1Cl	408778275	RYNHKKPXURBRKO-MTJSOVHGSA-N	525.432	7.304	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1cccc2ccccc12	408792767	CCISQLNUVLNWMU-KOEQRZSOSA-N	506.558	6.150	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408793905	GOUXQQCRHVEECL-UDWIEESQSA-N	600.384	5.740	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408796576	PIKBYSQFHGBULP-FRKPEAEDSA-N	536.198	7.123	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408798704	WRGNUSGMRWDKEK-QGMBQPNBSA-N	556.800	6.452	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2ccc(Br)cc2)c1	408806483	NILTWYZAAWJYTQ-XDHOZWIPSA-N	511.803	6.544	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)cc1	408817160	XFYBODNUSVBZCH-JAIQZWGSSA-N	541.829	5.922	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408826394	GIJNVNYRDYDTEW-RQXXSLPSSA-N	719.285	6.016	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2cccc(C(F)(F)F)c2)cc1	408832720	ZSRKGTPYRAEUHP-KVAAJVFYSA-N	586.611	5.906	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1cccc(C)c1	408838983	LHMXLUOEEZEIQP-XZYGTATASA-N	597.140	8.257	50	40	KKGB	
O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408839295	QGMQAQPCBVROSV-KBKYJPHKSA-N	544.814	5.745	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc2ccccc12	408851094	IESKSEQYLKODGE-LJUMEUDFSA-N	543.417	7.090	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2c(c1)OCO2	408853030	YDLZXNWURRPKPQ-APSNUPSMSA-N	576.230	6.618	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408857505	HLIVBIIAJWQSTM-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408861972	GYZQUQOAMHOPOZ-FMFFXOCNSA-N	571.699	5.545	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)Nc1cccc(Cl)c1	408863338	RIFKWHOWPRHJQT-JHGCKGDJSA-N	599.112	5.896	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccccc1OCc1ccccc1	408868955	QSKQUDLWDRDXMN-XODNFHPESA-N	543.432	5.777	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408885997	CKZTUSADYMAPQH-OQLLNIDSSA-N	548.360	5.224	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Br	408888666	YPXTVZBFRLEBEA-RQZCQDPDSA-N	587.224	6.253	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OS(=O)(=O)c1ccccc1	408892834	CRVMWGFOUKBPQP-LDADJPATSA-N	541.969	5.269	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1ccc(Cl)cc1	408894336	HUPSJWHIEIQWSG-FOKLQQMPSA-N	519.695	5.475	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)c1cccc([N+](=O)[O-])c1	408924912	QPWDCDBHLBDQLO-HPNXWYHWSA-N	593.599	6.855	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)c(OC)c1	408925483	UAYSGANPADCBHN-FUQSLGPRSA-N	716.383	5.129	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccccc1Cl	408945373	KOHJBAUNPZMQBH-HHHXNRCGSA-N	797.897	6.171	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c(OC)c1	408950819	HRGCYWCGFNDPLX-HVJLQFNCSA-N	720.404	6.064	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccc(N(CC)CC)cc2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408957775	VVWFXWUEPNWONE-SFDGNUHUSA-N	712.631	6.147	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCc1ccc(Cl)cc1Cl	408962551	TUPDJYGMRCUUQQ-AMVVHIIESA-N	554.386	6.728	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccccc1	408964221	CCBXHFZNDRGIOP-VFLNYLIXSA-N	505.880	5.149	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	408974333	XYPQXDAWWVGXJD-KDQZMZPHSA-N	727.483	7.687	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c2ccccc2)cc1	408978797	KGNOEOPPOVDFHR-SXFMDCDQSA-N	656.602	7.050	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408991157	NAFJKHPVTUCJIU-QDCCHXAWSA-N	594.631	5.592	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)ccc1OCC(=O)Nc1ccccc1C	409008827	LGPSZWYYJVIQGQ-UHIZKJEFSA-N	670.358	6.014	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)ccc1OCC(=O)Nc1ccccc1OC	409011200	MTSYOULPOBTICF-UHFFFAOYSA-N	575.065	5.936	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC	409014135	FIYSWNDNVLCDSO-GBMSSTRVSA-N	789.794	6.592	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1)Nc1ccc(F)cc1	409020599	QXQRYNHUXNQGRE-KVSWJAHQSA-N	636.215	5.720	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)cc2)S(C)(=O)=O)cc1	409028046	IXMVVWTYSMLDJU-AJBULDERSA-N	527.646	5.304	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)Cc3ccccc3)c3ccccc32)cc1	409030746	FDJWLECMDNUBAN-SRTMVKMUSA-N	569.661	5.371	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccc(O)cc1	409046503	KYWICEMNHDIHRH-LZYBPNLTSA-N	562.645	6.695	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1	409050177	ZXOBCCQYGFPAAS-WOJGMQOQSA-N	512.349	6.425	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)c1ccc([N+](=O)[O-])cc1	409055981	KHRAGPXLTKYNAS-RQZCQDPDSA-N	532.163	6.902	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	409071443	OJZMKEODLNZJCC-RCCKNPSSSA-N	506.555	5.185	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(Br)c2)c(Br)cc1OCc1cccc2ccccc12	409078008	GIHFQSTZCCSWQJ-FDVSRXAVSA-N	568.265	6.716	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409079835	BQEXJAIOHWXCSN-BCHBDCPOSA-N	587.095	6.870	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1	409111295	BKDFLWYGTQVKJB-WPWMEQJKSA-N	564.889	5.237	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	409162910	JLICGQAMQISOCP-OOHCFEELSA-N	566.395	5.216	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	409180430	SNSJZEVNPGUAAL-LMTOVYBFSA-N	579.631	5.874	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1ccc(F)cc1	409187183	NDAINYZZDGMWQG-CAQPMQTCSA-N	516.569	6.441	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409200922	KJWSDBLDXFFNJH-IPBVOBEMSA-N	635.738	7.081	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409224054	IQMTVZISTBCYQZ-XDHOZWIPSA-N	520.383	5.329	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1	409228207	VXWZXKDDJAQMQF-JCMHNJIXSA-N	509.831	6.337	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc2ccccc2c1	409250203	WKKACIJKQQANTR-VEILYXNESA-N	616.499	7.078	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409257308	PZIHAGABTLXOAK-YVLHZVERSA-N	636.273	6.560	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1	409259808	FVEFIMJIBJWWFF-NVNXTCNLSA-N	624.116	7.082	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1	409260678	UMJKTSZVOXAARX-VHFSBPNMSA-N	709.435	7.588	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409262965	GKJYHZKZUVMUDL-DZMLMSFMSA-N	554.474	6.091	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409264414	FQGHIZZBHVWPST-CIAFOILYSA-N	503.986	5.837	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409267767	WFVQJMCPKJAJDJ-WQRHYEAKSA-N	601.828	5.825	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc3ccccc23)cc1OC	409311838	BPSPXUZWIIVIKY-MNBJERMJSA-N	547.449	6.743	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1OCC	409321681	UQINWJPFVUIEEE-MNDYBZJGSA-N	535.855	7.177	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OC	409325115	WZUOWBFZVQVAGS-QDTIIGTASA-N	517.365	5.442	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409361911	DVEVHLSKRBTCJS-GZTJUZNOSA-N	619.818	6.046	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(Cl)cc1	409365643	RELDQOHAAFKLGW-FDVSRXAVSA-N	517.409	5.681	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)c1C	409366206	YWMGTJBRQLSLBJ-UNOMPAQXSA-N	522.374	5.768	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	409373133	MLSKMBNOEQMYBD-WKULSOCRSA-N	507.359	6.093	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409373644	RSQIDOIGIVJAHD-VWJSQJICSA-N	649.312	7.501	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409394130	WDHGHEBEGOJZGN-IUXPMGMMSA-N	507.186	7.547	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409396719	AKHJXWSWPXPSNK-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(I)cccc4c3-c3ccccc3)cc2OC)cc1OCC	409397943	PQYUOMSDYYOZIP-UHFFFAOYSA-N	703.533	7.229	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)OC(C)C	409398224	CASOBXFWYYJSCO-BJUCDSOZSA-N	638.515	6.132	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409398946	WVMLIBITPFZAOL-UHFFFAOYSA-N	698.344	8.128	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCC(=O)N4CCOCC4)ccc4ccccc34)o2)cc1	409405413	TZOOJMUTHOMLBU-IDWIKUEFSA-N	606.679	5.421	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)O)c(Br)c3)o2)cc1	409406991	YKIKNEIYXUOUCE-YNFMAFFXSA-N	645.304	6.018	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc3ccccc3c2)cc1Br	1529546678	GMFFFXJSYGCNSJ-MTYJQCMISA-N	717.642	6.075	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1	1529547499	LHILXQDQCCIQRM-XINRNAFCSA-N	842.348	6.280	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(F)cc1	1529549027	RXPNPOCZOVHFEL-RSIBHDLFSA-N	646.741	5.027	50	40	KKGB	
CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)cc1	1250176	VXCIOTCGOIIRIE-WJOKGBTCSA-N	563.679	7.109	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccccc3F)cc2)sc2c1CCCC2	1785189	BOVZYSHYWZVMSK-YEVVNVGGSA-N	537.613	5.113	50	40	KKGB	
CCOC(=O)c1c(CN=C=S)n(-c2ccccc2)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc12	2074906	VDOCFFOFGCOLDQ-UHFFFAOYSA-N	506.605	5.486	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1	2219514	HQTUHZFBCVRIEG-HVBJHMBASA-N	508.430	6.367	50	40	KKGB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	6445768	VIKSXUJRLQLIDG-JCTDHXFVSA-N	516.406	7.195	50	40	KKGB	
Cc1ccccc1/N=C1\NC(=S)N(c2ccc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)cc2)C12CCC(C(C)(C)C)CC2	8445535	AJFREABXGPGQBX-QJOVZPHJSA-N	620.650	8.466	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)/C(=C/c1cccs1)NC(=O)c1ccccc1	15134260	JBOHHXYXZNUWFY-SJOBBXTASA-N	510.402	6.236	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	20059466	GKPIGRTZPDWQKK-JBASAIQMSA-N	513.619	5.245	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)ccc1OCc1ccc(Cl)cc1	59646916	GKPHSAUNVGMUGI-DPNNOFEESA-N	543.088	7.271	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)cc1	59647067	JCGLPCDWHRQOIB-JYNCRIJLSA-N	539.701	6.382	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@H]1c1ccccc1	97950451	LVUFHGMTWLPEHY-GDLZYMKVSA-N	538.673	6.019	50	40	KKGB	
CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cn(CCOc4ccccc4Cl)c4ccccc34)sc2c1	97964271	VWAHOYHPELOHNV-NBVRZTHBSA-N	577.087	5.933	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2OC(C)C)nc2ccccc12)c1ccc(NC(=O)c2cccc(C)c2)cc1	97965847	PUNTZSVJHCKAAM-RQXXSLPSSA-N	556.666	7.404	50	40	KKGB	
COc1ccc(CC(=O)Nc2cccc(/C(C)=N/NC(=O)c3cc(-c4ccc(OC(C)C)cc4)nc4ccccc34)c2)cc1	97972260	YLUXWACNWCMZNV-HZQMBONKSA-N	586.692	7.033	50	40	KKGB	
CCOc1ccc(OCCOc2ccc(/C=N/NC(=O)c3cccc(S(=O)(=O)Nc4ccc(OC)cc4)c3)cc2OCC)cc1	97980722	GCPUJONXOCUZKT-PPFNPFNJSA-N	633.723	5.515	50	40	KKGB	
Cc1ccc(-n2c(P(=Nc3cccc(C)c3C)(c3ccccc3)c3ccccc3)nnc2P(=Nc2cccc(C)c2C)(c2ccccc2)c2ccccc2)cc1C	97983471	UMJKYKQAXYDAFH-UHFFFAOYSA-N	779.909	10.736	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(C)C)cc2)=C(C#N)[C@@H]1c1ccco1	98048660	CKKCVQNZSFWHBS-GDLZYMKVSA-N	554.716	6.980	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)c2C)c1	100119828	KIWUXAHCPYKABB-HNSNBQBZSA-N	556.732	6.058	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1ccc(Br)cc1	100120367	DOGYIMLRHZSYJG-QNKGDIEWSA-N	570.535	5.943	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccccc1	100123033	OSJBCCLPBVMNFX-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccccc1	100220778	REPZPUPROMCBTC-ZCTHSVRISA-N	609.546	5.601	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	100239826	DHJIZFZPUBRBDH-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	100476140	DGJSVOLHMSIFHH-KVSWJAHQSA-N	575.352	5.266	50	40	KKGB	
Cc1ccccc1C(=O)CN1C(=O)[C@@H](NC(=O)Oc2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)c2ccccc21	100947594	PXWRBBVRJCMFES-GDLZYMKVSA-N	548.555	5.085	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc(F)cc1	102436918	MZDUWYDSBYOHEH-DXRBVMPTSA-N	600.461	5.254	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1F	102719270	QPGDKIXJDWEOGX-MHZLTWQESA-N	528.609	5.541	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\C[C@@H](C)CC(C)(C)C3)cc2)c(Br)c1	102978997	LRKBRAIBXIMEBL-DVCOJHHCSA-N	536.308	7.031	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889510	VQDGZJFLLAADHF-JAIQZWGSSA-N	586.700	8.687	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)c(C(=O)OCC)c1C	109117924	FREVQRVSVBJBRZ-KGENOOAVSA-N	535.593	5.847	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	150420258	XTPBNHBSTVYWLF-ZGGQCMCWSA-N	625.468	5.797	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1	169619031	JLYYHAXYIRGYLC-HPRPSTAPSA-N	609.358	7.087	50	40	KKGB	
C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	195772615	JJNHXXXGXRHCFL-SVXHESJVSA-N	696.049	6.948	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	216044576	PSWPGRSANVJKMQ-CPDSRJINSA-N	564.307	7.043	50	40	KKGB	
C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O[Si](C)(O[C@@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)O[C@@H]3CC[C@@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)CC[C@H]12	263596782	GAXCSAJQPMKJSH-GWROXOKNSA-N	905.390	13.306	50	40	KKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	408537431	FBMAACUFTGQQCT-OHUYPAJKSA-N	581.569	8.892	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OCC)c2)cc1	408538518	OCPOYZJVGMAEAM-TURZUDJPSA-N	578.665	7.196	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551125	BRAVYSUZMCQPKF-OVCLIPMQSA-N	527.795	6.613	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1C	408554155	QMWXWBGAIXFVGP-WOJGMQOQSA-N	501.568	5.369	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408567345	CZDMRIOPEADHFV-KPGMTVGESA-N	766.464	7.636	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(C)cc1	408570938	ZQQUNPKZFCSINE-NVMNQCDNSA-N	539.348	6.267	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(F)cc1	408581640	YGAUDLAHLVGWKR-RQZCQDPDSA-N	521.213	7.937	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCc1cccc2ccccc12	408586040	AXJVOYVYCSTSFG-WKULSOCRSA-N	570.814	6.449	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1OC(F)F	408606174	OZOJAHJZTSDFBS-QGOAFFKASA-N	504.493	5.645	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1ccc(N2CCCC2)cc1	408676404	IJTJCCUZJLZBLP-LQKURTRISA-N	543.380	5.373	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408677885	FHBYYVSYGFWRIN-BQLFOJHWSA-N	566.677	5.183	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408681441	JLNQAXFQBPQLAM-JYUSNPHGSA-N	586.202	5.240	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408725992	NVUSPHSCFRHXOY-OCKHKDLRSA-N	607.275	7.348	50	40	KKGB	
COc1ccccc1/C=N/NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1	408728646	QNKANTDFYQTOOF-ZCTHSVRISA-N	548.064	5.816	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)cc1	408743938	CQDIDQIMMQQHQN-WQRHYEAKSA-N	527.802	6.244	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(I)cc1	408744784	HDZGPHAFNBXWOM-YVLHZVERSA-N	579.221	6.731	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745744	OSSBLMQPOAEXDI-WQRHYEAKSA-N	511.759	5.925	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1O	408752122	BVCXTAGPCIHLFB-ZCTHSVRISA-N	581.691	5.746	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1O	408762766	QNXXVALQTJQECY-RWPZCVJISA-N	566.480	5.779	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc(C(C)(C)C)c1O	408767392	WRMFHWPAJLKSES-FABQOPTDSA-N	644.448	8.174	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1c(Cl)cccc1Cl	408776221	VNQAKQCHTJBYOB-YVLHZVERSA-N	593.248	7.040	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1c(Cl)cccc1Cl	408779614	GIEVZVCBEAANRS-ZDLGFXPLSA-N	560.275	7.506	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1	408788209	JCYNAZVDFWSQLD-CAOOACKPSA-N	642.118	7.794	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(I)c2)c(C)c1	408792453	AAMARFMIDQEMGA-FYJGNVAPSA-N	508.359	6.033	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc2ccccc2c1	408794923	JQETZUCWCZZOKJ-FSJBWODESA-N	517.412	7.588	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	408798144	USRNOUFMPPSENJ-FYJGNVAPSA-N	583.866	6.803	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408821652	JTNZTATVNMNHKR-MFKUBSTISA-N	662.378	8.232	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1	408839551	AMQZHTJFWSEJRJ-IPPBACCNSA-N	608.942	5.223	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841646	GCDINIILDPDXIV-AABVJFSESA-N	699.401	8.808	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1	408842081	NWUXCCKWNBNRST-BBUXEPKYSA-N	671.175	6.096	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1)S(=O)(=O)c1ccccc1	408843350	SYWCSHLARYYCTB-KPGMTVGESA-N	640.943	6.299	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408845171	PFTYPSXFVBHVOJ-NOPDUFPGSA-N	757.902	10.074	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408847637	TWEMYQGHVGQHKK-PNQUVVCRSA-N	678.790	7.048	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408852452	KZOUNQYNBBMCLU-FTCYSYDXSA-N	641.143	8.006	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc12	408860048	RGRWUOIKRZXNDV-XKJRVUDJSA-N	559.475	6.386	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408861205	PIABWUNUVZJVGT-XKJRVUDJSA-N	649.778	5.913	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1Cc1ccccc1Br	408873101	MXQFSSWSNMTFOX-FYJGNVAPSA-N	615.309	7.151	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408878955	DIZSVFMIGUMJAF-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OCc1ccccc1	408881640	LVHLKCTWOUQAHP-YBFXNURJSA-N	558.803	6.468	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	408882020	MUOGZXAPZRRBKH-LUOAPIJWSA-N	520.825	6.609	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1cc(C)cc(C)c1	408885603	CSZDVORRRNMMNS-SSDVNMTOSA-N	600.884	7.393	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408888653	YJODQVHNCBRZIM-VULFUBBASA-N	598.846	5.183	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc(C(C)(C)C)c1O	408889297	BMTSJEZXOWWGDA-FABQOPTDSA-N	738.448	7.858	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1cccc2ccccc12	408889468	HFTPBTQOQVAUKY-KGENOOAVSA-N	513.937	6.535	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OC(=O)c1ccccc1	408890350	RSROYXGBJVVBEN-WOJGMQOQSA-N	617.237	6.217	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OC(=O)c1cccc(F)c1	408890551	VNHCHJIIDXUSLH-GZTJUZNOSA-N	542.304	5.204	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	408892666	BQERBFYEKWGPDR-RVDKCFQWSA-N	613.876	8.138	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1cccc(F)c1	408904167	FURCSNYTYKHKET-PPDIBHTLSA-N	542.317	5.594	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(OCC)c1	408939711	BHHNNPOMEMKXIX-GDLZYMKVSA-N	807.505	5.916	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(OCC)c1	408944164	INZQZAXDMIBWLU-LJAQVGFWSA-N	716.054	5.965	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1c(F)cccc1Cl	409009274	CSSRMTURRXIBDF-CCVNUDIWSA-N	542.847	5.170	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc1ccc(Cl)cc1Cl	409015917	PLQKYEHABHDFFC-DVCVSJLKSA-N	597.337	5.608	50	40	KKGB	
CCOc1c(I)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1I	409021639	RISXFKQFMSIEDS-AFPJDJCSSA-N	594.574	5.458	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OCc1ccc(C(=O)O)cc1	409051870	NSGCHIXVGZDMFL-XODNFHPESA-N	545.817	5.851	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409085884	OUVNDIJDQWZNLV-FYJGNVAPSA-N	514.494	5.256	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)cc2c1	409187803	UMPRFOMKXZHWKW-NUJZUDFISA-N	541.373	6.085	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c2)cc1	409223202	FXJDCMHLRXTHTG-UHFFFAOYSA-N	651.311	6.456	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)ccc1OC(=O)c1cccc(C)c1	409223948	JLGMNGJTILUOLX-UHFFFAOYSA-N	609.635	5.563	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)/C=C/c1ccccc1	409226447	WHIRCRPJPGIPEM-JKDNYCPDSA-N	612.480	6.483	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)c1	409259327	YJYHCHHELZOFCN-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1OC	409311453	ZWHVTQWXXHKZKG-NUJZUDFISA-N	503.357	6.049	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc3ccccc23)cc1OC	409311460	GEHDFBFVDAELBC-MWLSYYOVSA-N	519.395	5.962	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2F)cc1OC	409311691	HDGRTCQVUCZUSW-MBTHVWNTSA-N	513.363	5.505	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OCC	409315028	MEYHZZXZIPCRST-MIXAMLLLSA-N	519.554	5.300	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1OC	409321548	GSXMOKBQLSRYNS-CPDSRJINSA-N	564.853	6.226	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	409362375	JEOOEDDEQBZFPI-VYYCAZPPSA-N	515.791	5.146	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(I)c1OCc1ccc(Br)cc1	409364713	YGPHMFLDFGMGFT-VFLNYLIXSA-N	626.264	5.733	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	409394192	WYKYKUZIVAJQLX-LSCVHKIXSA-N	568.213	7.779	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1	409396327	XSOZDOBHYRUJRI-UHFFFAOYSA-N	645.351	7.960	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397387	JGPIEKLQLHWBLY-UHFFFAOYSA-N	602.430	6.862	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409398448	TUXUTFUDKGBFKK-UHFFFAOYSA-N	670.869	8.261	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409400490	DKQJDBFBYHGADD-AEUUOICLSA-N	720.520	7.130	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1cccc2ccccc12	409407449	ZUPJERGJPOXWOT-BOABNOFISA-N	739.610	8.766	50	40	KKGB	
CC(C)(C)[Si](C)(C)Oc1cc(/C=C\c2ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c2)cc(O[Si](C)(C)C(C)(C)C)c1	575416816	FCLDJGPIIMYYFJ-DQRAZIAOSA-N	701.302	13.393	50	40	KKGB	in-vitro
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1	1529548628	KHSZKRXXIAZNLI-JYALLGCPSA-N	763.452	5.518	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc(Cl)cc1	1529549449	ZHTHLYVHFQRWSO-JKYKOXDNSA-N	844.897	6.013	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	1769425	CZFDLCSKHHKNTJ-XMHGGMMESA-N	527.558	6.614	50	40	KKGB	
COc1ccccc1-n1c(NNC(=O)c2ccccc2Br)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2	1872366	SVPWDEMXAMQMSZ-UHFFFAOYSA-N	585.502	6.186	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1	2709690	NRTZUSTZKMUORI-MUFRIFMGSA-N	549.498	5.632	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1	2801008	MUXQFAOGOQKUAY-GIDUJCDVSA-N	512.746	7.619	50	40	KKGB	
Cc1ccc(/N=N/C(=N/NC(=O)c2cc(Cl)ccc2C(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1	5580226	ZLQPWYDRPWCDQZ-ZITNTDKESA-N	616.125	7.697	50	40	KKGB	
N#C[C@H](C(=O)/C(=N/NC(=O)c1ccccc1O)[C@H](C#N)c1ccc(Br)cc1)c1ccc(Br)cc1	8653143	JRHDLKYYKPTMNO-WERCCWLOSA-N	580.236	5.187	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccccc1	14166520	ISYPIBVXEUYQLB-OCSSWDANSA-N	518.038	5.246	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(F)cc1	28217254	DOYJSOJEWNKDRR-FADJLKOXSA-N	522.668	6.452	50	40	KKGB	
CC(C)c1ccc(N2C(=O)/C(=C/NNC(=O)c3sc4ccccc4c3Cl)c3ccccc3C2=O)cc1	37203893	CDMHRWBJMIMDKP-PXLXIMEGSA-N	516.022	6.141	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1	58925975	WWQKTQQQLJQDDG-UHFFFAOYSA-N	518.123	6.697	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	59117027	PEEXVDOZGGIZMI-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
CCCCCCCCCCCCCCCCCCNCC(C)(C)SSC(C)(C)CNCCCCCCCCCCCCCCCCCC	95676851	XPRDKOZGEVEHDT-UHFFFAOYSA-N	713.368	15.627	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)N1	98048715	WPKSQEBQLWQINS-NDEPHWFRSA-N	589.073	6.368	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1	100123116	LDTQPDWINPAMGE-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
COc1ccccc1OCCOc1ccc(Br)cc1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccccc2C)s1	100314645	BTDMRMGCRFZVHM-OCSSWDANSA-N	624.517	5.021	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)C(O)(c1ccccc1)c1ccccc1	100451139	WSLZCCAONJPFFV-VTNSRFBWSA-N	523.391	6.098	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(C)cc2)cc1	100925292	LGJQQSYKEZBXKG-OGCOBRASSA-N	522.457	6.675	50	40	KKGB	
O=c1[nH]c(SC[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](Cl)c2ccccc2)nc2sc3c(c12)CCCC3	101096285	MQJHBAZFFKXSAD-RBBKRZOGSA-N	544.123	7.005	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	101710677	IETZFQWZOSEGAB-LFVJCYFKSA-N	571.471	7.524	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1cccc2ccccc12	101751642	MWXYTLFGWXQHRT-FZPRHHONSA-N	525.992	6.158	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528828	LNUWHMGDMVMTMA-UWTATZPHSA-N	541.995	6.481	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c2cccc(C(F)(F)F)c2)cc1	103897470	AGZYNFOEYPSKEE-ATZGPIRCSA-N	605.635	5.080	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N/CCCC/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1	104057259	XVDFNYAOWFVBEG-RWRHWQIFSA-N	544.398	6.573	50	40	KKGB	
O=C(N/N=C/CCC1CCCCC1)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C/CCC3CCCCC3)cc2)cc1	104815415	QQOSHFXBYTVNPT-BBPZUTFUSA-N	632.802	6.996	50	40	KKGB	
O=C(N/N=C/c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12	150386818	KROQSHALYUVBMU-FACWOHEBSA-N	664.718	6.678	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	150413096	XJKAAOFZZGSFPX-DLCNMLRHSA-N	671.559	5.551	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	209605900	BCKMZDQZONMSOC-ROTLSHHCSA-N	641.203	5.455	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1)N2	245232554	XLQGIDCCNPDMRP-ASDZUOGYSA-N	516.044	5.281	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408538954	RYYNNVYXMCCIEJ-QFEZKATASA-N	614.054	7.359	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c(C#N)c1C	408546725	OCGVQUZCJXAZFL-VXLYETTFSA-N	567.436	6.304	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2F)o1	408568619	KQJBSGVGPKCYHT-BRJLIKDPSA-N	521.433	5.856	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)c3ccc(Br)cc3)cc2Br)cc1	408579043	CLUWNWYRYNXNDL-VXLYETTFSA-N	562.099	7.926	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1OCc1c(F)cccc1Cl	408603952	HPJZHBVAITZMQN-KVSWJAHQSA-N	504.345	5.117	50	40	KKGB	
O=C(COC(=O)CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)NNC(=O)c1ccc(Cl)cc1	408664540	CFUQZMGDZZNPSG-UHFFFAOYSA-N	564.809	5.162	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408711586	AHFROFGKTGDWHW-DICXZTSXSA-N	542.386	5.036	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccc(Cl)cc1Cl	408722224	FIXUAPOJMPYWGY-NSXLFHFSSA-N	566.444	5.960	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(OCC)c2)c1	408754163	MFKFSKXUNCMPRQ-WOJGMQOQSA-N	616.446	5.468	50	40	KKGB	
COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408789560	KCJRBQQQWGYUND-UDWIEESQSA-N	551.393	5.134	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc2ccccc2c1	408792068	HHHMWYGAYLAZSC-OEAKJJBVSA-N	653.314	7.730	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	408792142	IQDUCCXPYPQTKD-YBFXNURJSA-N	574.700	7.552	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408796384	NYBUUVWHUWSPON-LZYBPNLTSA-N	611.636	6.971	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408796894	QMAKLRDJJRFVCG-CXUHLZMHSA-N	567.185	6.862	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408799391	YYGSXRNGDLECGQ-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1c(C)ccc2ccccc12	408801592	UUTUTZLHJNCNKS-FYJGNVAPSA-N	517.412	7.588	50	40	KKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408803227	MRJIPHHVFLFTPK-JHAUMMSCSA-N	626.276	6.077	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408808173	DNRZGWRJRQDHOS-MTJSOVHGSA-N	566.408	5.567	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1	408808401	GGEHVRRFFBOOOJ-OCKHKDLRSA-N	574.244	6.162	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccccc1F	408809663	IFPUWMCDVRGUBB-MFOYZWKCSA-N	529.749	6.064	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2I)cc1	408817400	NHRZXUOTHOASAZ-ZDLGFXPLSA-N	638.218	6.468	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408824070	GURDEIGLSJTUMO-HZHRSRAPSA-N	618.871	7.714	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408825173	RPLPFLHOTZJIFG-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cccc(Br)c2)cc1	408826589	FFTIGPBDTLPOGV-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1)S(=O)(=O)c1ccc(C)cc1	408828166	LIJREIJVTJVGGG-JGRMKTMXSA-N	584.698	5.382	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccc(C)c(Cl)c2)cc1	408830919	UGQGXSINJXOHEH-FABQOPTDSA-N	623.106	5.459	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408830992	ZEEVTFWAKCNCMN-ZMOGYAJESA-N	607.921	8.668	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408846311	IKDMNTSFCQFDNQ-SGFZWYBVSA-N	604.150	8.576	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408846690	YKHCOFDHKVBQEA-QNVXDBMFSA-N	639.497	8.093	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1O	408847485	MZSNTOYLUHRSJG-RHANQZHGSA-N	565.411	5.926	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1	408854813	BSNAKUQWTXHTSD-OJYCWLPVSA-N	582.473	7.697	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408857326	LXYIVXRYCZQJGK-OPVMPGTRSA-N	650.061	5.268	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408864297	VFWMBLLAVOUBOB-MWBNBJEGSA-N	618.959	7.012	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408870161	VPOUDIYTOCGONR-VCHYOVAHSA-N	590.352	6.899	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccc(Br)cc2)cc1	408876441	PEEYRLHKGUVMMF-UHFFFAOYSA-N	534.520	5.661	50	40	KKGB	
N#C/C(=C\c1c(Cc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccccc1Cl	408879207	BGDLDZZDDMPTFZ-LTGZKZEYSA-N	501.811	7.392	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1Br	408881232	KJKMWYSSGDEELI-XSFVSMFZSA-N	507.384	5.981	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)cc(I)c1OCc1cccc2ccccc12	408882094	PPZNVIDIRQOCQF-FDVSRXAVSA-N	551.384	5.581	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OS(=O)(=O)c1ccccc1	408884527	ZQKCAJAVYWLCTN-OQLLNIDSSA-N	548.360	5.224	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC	408884761	VLCPIGBCRKEEIL-IURWMYGYSA-N	648.885	5.793	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccc(Cl)cc1	408886436	HKNXSTQNUATYQU-VXLYETTFSA-N	570.827	6.843	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408889136	DZFVMCHYOGJKDO-WOJGMQOQSA-N	637.699	7.230	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3C#N)c2)c(Br)c1	408890772	YXWWYBITXJDOAH-RQZCQDPDSA-N	582.208	6.638	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Br)c(OC)c2)cc1	408897140	WBASORFVTDKTLA-UDWIEESQSA-N	569.839	6.412	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(Br)cc1OCc1ccccc1C#N	408913405	QPBJXPIJOIIJND-XODNFHPESA-N	528.790	5.091	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1cccc2ccccc12	408945549	KZZUDIRFDMMXJE-BHVANESWSA-N	692.838	6.431	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(I)cc1	408946473	AJKNYCSXNGISDE-KGENOOAVSA-N	534.401	5.446	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2)cc1	408950729	UENYIBFVKQUUHE-QHDYCIAZSA-N	542.639	6.543	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccccc1	408964511	HKSUGLNQACZDQO-MZJWZYIUSA-N	538.354	5.845	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1	408971672	LHGVGRGVSGNVKW-FCMSKLJNSA-N	713.456	7.379	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1	408991722	OZJFPVGYUPNMBI-GSERBOKHSA-N	620.112	6.464	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408995726	DKVXBDFRCBMWCJ-DPNNOFEESA-N	576.436	6.628	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)/C=C/c1ccccc1	408996349	HRSGUBXQYYSIAS-KXLJIPBPSA-N	515.569	5.721	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(Br)cc1	409002487	NTXQMEIVFHHJRO-XZYGTATASA-N	676.520	6.109	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)sc2c1CCCC2	409002841	WSHQDTONUHHHDE-CCVNUDIWSA-N	514.047	5.394	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c2ccccc2)cc1	409002961	QKFXPCOGHXGLAN-RTQNPRDOSA-N	570.759	6.260	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OCc1ccccc1	409039991	SACCPWAIOFCYRL-QHDYCIAZSA-N	527.624	6.982	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F	409165278	VSQUZMMIGDXZCO-KLPHOBTLSA-N	627.801	5.236	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1	409168644	NLCWWYGCVXFWQP-WCMJOSRZSA-N	551.043	5.024	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1cccc2ccccc12	409180409	RGLVCWDYWPXRER-TYRBNLMUSA-N	592.611	5.715	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)c1	409218014	CCCPTEMGRXBNRF-UHFFFAOYSA-N	679.321	6.484	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1C#N	409221082	KPQGXUBGPHYMEY-RIMPEIONSA-N	530.422	6.083	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)c2)ccc1OC(C)=O	409226594	VEQONDBOOCZRNS-UHFFFAOYSA-N	565.582	5.164	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)n1	409241118	IUEDRHGGZRLULD-NSKAYECMSA-N	643.199	6.202	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)n1	409245307	QRCLZFGCHVOVTG-NSKAYECMSA-N	601.297	5.826	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409249472	IPUCOWPMRBUDCH-UDWIEESQSA-N	627.333	6.790	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409254734	YDMUNDZAUKASDC-VXLYETTFSA-N	557.956	6.547	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409256807	NLSUTMKAEYCYRW-IBBHUPRXSA-N	533.883	7.225	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409263028	GPUHRUQUTWVDEL-AEUUOICLSA-N	717.589	7.257	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)cc1	409268062	XYLPAIJPEOBPJI-XQNSMLJCSA-N	513.594	5.664	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Br)c1C	409271814	NJKVOOUCIGJUFA-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/C#N)c2cccc3ccccc23)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409319065	ZQFGQQAHNHMTOT-ULJHMMPZSA-N	520.589	6.676	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OCC	409325315	XTHMWDQVZTWOCA-LQNQUEJISA-N	582.451	5.203	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)ccc1OCc1ccccc1	409325996	FISRYXAPNNBQIZ-KMUKQRDJSA-N	593.507	7.713	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OCC	409330570	BNFKWUKJNPYGTC-MNDYBZJGSA-N	580.306	7.286	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1OC	409362835	KHBWVIMPTWZQHR-FJEPWZHXSA-N	510.421	6.015	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Br)cc1	409367638	GUQSBCOOZYYWKE-ODLFYWEKSA-N	639.125	7.858	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409394486	AZHXYRJKLONAES-UHFFFAOYSA-N	810.080	9.321	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1	409394564	CFIRDHMMEYYFSH-UHFFFAOYSA-N	750.658	9.312	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409394729	FEPUOTPMQDHQFU-UHFFFAOYSA-N	624.388	7.738	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395038	JDCXBCFPXPPQKL-UHFFFAOYSA-N	757.794	8.069	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccccc1	409395782	RRFIULHRHMIZTR-UHFFFAOYSA-N	743.193	7.948	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396452	RBEYGLMFIKJKLV-UHFFFAOYSA-N	599.609	7.798	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397163	GZMQDKHSLHCFRC-UHFFFAOYSA-N	659.970	8.518	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397441	JXAUJEXGFQRLDI-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)c1	409397964	PUEUSPQSDQQSQH-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)c(-c3ccccc3)c2c1	409398310	SLYDPBLOIXBCPO-UHFFFAOYSA-N	578.581	6.134	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3cccc4ccccc34)o2)cc1	409403597	NMFVUXLIHZSTSG-KWQVAVEISA-N	649.103	8.324	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OCc1ccc(Cl)cc1	2370285	KOUYCQYQJGGBQB-XMMPIXPASA-N	500.938	5.642	50	40	KKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)s2)cc1Cl	2670883	RPVSAMVNIOKHKK-MHWRWJLKSA-N	528.848	7.808	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1cccc(I)c1	4047933	LQYYQUPYJYVHBR-XKZIYDEJSA-N	517.370	6.398	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1cccs1	6015265	OAPWLGIVOQHEIU-VWLOTQADSA-N	501.633	5.707	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc([N+](=O)[O-])cc1)=N/NC(=O)c1cc(Cl)ccc1O	8665772	JEJHIQISUMSFHM-UTMIZZEPSA-N	558.986	5.771	50	40	KKGB	
CCCCCCc1ccc(OCCOc2ccc(Cl)cc2/C=N/NC(=O)Cc2nnc(N)s2)cc1	9425656	RDQJCWLORMYLNZ-OGLMXYFKSA-N	516.067	5.047	50	40	KKGB	
O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	12562173	PSOIUHUJPWEUCH-UHFFFAOYSA-N	518.038	5.712	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1cccs1	20028785	WPMGMGBVEJWEQJ-JOCHJYFZSA-N	500.045	5.507	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)cc3)c2C)cc1	20243635	QUMMPKQUZNPUGX-LGJNPRDNSA-N	500.462	5.557	50	40	KKGB	
Cc1cccc(-c2nc(CN(Cc3noc(-c4cccc(C)c4)n3)C[C@H](CCl)n3cc(C)cn3)no2)c1	69571076	VTTQGIZDYLIJIH-QHCPKHFHSA-N	518.021	5.391	50	40	KKGB	
O=C(CC(=O)Nc1ccccc1Cl)NN[C@@H](Sc1ccccc1)c1cc(/N=N/c2ccc(Br)cc2)ccc1O	82191615	XXVOSMFYUWWEIL-JAVXYERYSA-N	624.948	7.664	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	97939488	CDWGNODUQCBVBO-FSGOGVSDSA-N	558.664	5.781	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	98048598	FXPQKMYPMMMFBX-RUZDIDTESA-N	533.053	6.256	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100220793	PIOKFBCMHQGVIH-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	100343562	PKALCKIUSHVQSX-KBVAKVRCSA-N	610.092	5.318	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(SC)cc2)cc1	100351315	PBZHMCVGGNJZCY-TWKHWXDSSA-N	545.686	5.577	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	100351423	RJESRDODOPGREB-APTWKGOFSA-N	613.567	5.793	50	40	KKGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCCCCCC)c(OC)c2)c(OC)c1	101089307	WPOFEAUDGGSHFV-MUPYBJATSA-N	543.620	5.385	50	40	KKGB	
COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(Br)c1OCc1ccccc1	102909617	CFFBCJFRZUHQQF-MOHJPFBDSA-N	588.310	8.417	50	40	KKGB	
CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528492	KEUKKLBYPYKBIC-HNNXBMFYSA-N	606.342	9.985	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(I)cc1)c1ccccc1Br	104402109	YUVXLYOSBXIXAO-BRJLIKDPSA-N	569.624	6.050	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	104699959	HFZJQNDSXXVTRC-HKWNJFHFSA-N	582.144	8.752	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c(C(=O)OCC)c1C	109687996	LMHOJSZEKPRWSX-OEAKJJBVSA-N	565.651	6.003	50	40	KKGB	
CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)N/N=C/c2cc(/N=N\c3cccc(Br)c3)ccc2O)c(Br)c1	150588473	CCPJEFKFRKWCQE-OMLZQCSXSA-N	723.304	9.338	50	40	KKGB	
CCc1cccc(CC)c1-n1c(SCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)nnc1-c1ccc(OC)cc1	159118974	GJMUNMLYMBDJIS-GLJXUZQSSA-N	670.235	7.551	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	164249455	GLDKIHPMYYAGPU-ALQBTCKLSA-N	629.953	6.635	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795274	IAPGYSNDNDIXDV-PHDIDXHHSA-N	774.006	9.090	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)ccc1OCc1ccccc1	408538962	SBAQMHIGEGAWKC-WBFBQHAKSA-N	709.655	9.791	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(C(=O)O)cc1	408540778	BPXPUBOLCGXDSA-GRSHGNNSSA-N	513.185	6.553	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408544515	ULJICWWXMMADDB-FDAWAROLSA-N	536.028	5.083	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(C(=O)O)cc1	408544801	XNPDWZKHRZFRCM-IDUWFGFVSA-N	676.075	7.544	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(Cl)cc1	408549896	BBONPWWVASJIAB-CFRMEGHHSA-N	565.838	8.140	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408554261	RBVCZQRPSAUBTQ-RAWMCFOBSA-N	566.195	5.446	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1	408578870	BGYFZDSGOZDAAF-LFIBNONCSA-N	553.659	6.697	50	40	KKGB	
COC(=O)c1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2OC)cc1	408602658	DBFYKVHKAUHKEX-FYJGNVAPSA-N	510.550	5.057	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408640087	HGCCKOAKTIZMLG-JLTFKRJCSA-N	610.730	5.199	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408643955	QJNJWWMNQRTFKZ-TYZHSBRISA-N	663.165	5.639	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408648285	JYDKTKUKMRUWQW-ITXIHOPLSA-N	739.200	5.824	50	40	KKGB	
O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1CC(=O)N(c1ccccc1)c1ccc2ccccc2c1	408669372	GRBUWNSELMFTJL-LUKWVAJMSA-N	570.281	5.427	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408671403	KWMFUVPXUBVJNN-SRABZTEZSA-N	574.191	5.384	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408675766	AIKDQOQYVBQKLK-WKULSOCRSA-N	683.182	6.759	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408745602	UAYNCSUSNGHPBL-MFOYZWKCSA-N	719.144	7.726	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12	408756662	TWAAZTWQJNXSHO-RWPZCVJISA-N	581.366	5.704	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408768061	SMXHBNZRMFTHEN-RZNTYIFUSA-N	547.074	6.529	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccc(C)cc1	408771754	IOHJCRFVCRQZMQ-QNKGDIEWSA-N	551.668	6.046	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2cccc(Cl)c2)cc1	408778952	NKAADARKNPKMMG-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)ccc1I	408781372	BXQZGELOWWVSQW-ODLFYWEKSA-N	529.809	6.515	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccccc1F	408788085	IEHWQFSCRBJGJE-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Cl)cc1	408788361	CKRNJBNFPKWXBX-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408788986	NPZHABIPWDUSRA-WOJGMQOQSA-N	511.759	5.925	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(C(=O)O)cc1	408792725	BRCQUGJFMJSNEU-WSDLNYQXSA-N	549.421	6.288	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1	408798935	XOUWGFKVNPXQJO-QGMBQPNBSA-N	520.243	8.042	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408804424	FVRFGHCZCVOBIY-CPNJWEJPSA-N	508.836	7.812	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408830397	OGHUKGKKYJTMQZ-BUVRLJJBSA-N	607.921	8.749	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OCC	408831636	ZXPQWAMTHNFEIY-HZHRSRAPSA-N	502.998	6.737	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1	408840147	XZKRVBRVJZSJEY-AABVJFSESA-N	691.947	7.769	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccccc1	408842576	AUBYJWYPDIUKRQ-VULFUBBASA-N	544.427	5.577	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5ccc(Cl)c(Cl)c5)c(I)c4)cc3)cs2)cc1	408843023	LGDJVUIQFYXQNI-IRWBXMRWSA-N	839.324	9.721	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCC(=O)O	408843095	LOTITAUHWCOJIT-VFLNYLIXSA-N	595.475	5.861	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408844823	WTUMNYSCJVABFC-MWBNBJEGSA-N	676.511	6.401	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4ccc(F)cc4)c3C)sc3c2CCCC3)cc1	408852204	DFJSEGYALIVMRH-KYHGBAKBSA-N	543.668	6.890	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(C)c1OCc1ccc(Br)cc1	408854294	BTTNGGYHSPXJRZ-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc2)CC1	408861146	NYOLGBASZHRQCT-PPFNPFNJSA-N	534.660	5.360	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(Cl)cc2C)cc1	408861537	CVMCNFHCFSIUGD-QLQYKETESA-N	612.151	7.035	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2cc(Cl)ccc2OC)cc1OC	408861965	CAKUXDKUFGYPNX-HNSNBQBZSA-N	624.115	5.290	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12	408862434	YUZPSUZXTNXJQU-ZLZXEHKWSA-N	578.090	5.384	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1OCc1ccccc1	408868333	NYRFSLJBSCSXGD-SBHFZBBVSA-N	565.695	6.202	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OCc1cccc2ccccc12	408887555	RPIQIQCXWNXRTD-WSDLNYQXSA-N	527.964	6.843	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1	408888701	ZHQISSNUWGNLDK-CAPFRKAQSA-N	547.430	6.224	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1Br	408900111	SSQRRBYMEKRXCF-NYYWCZLTSA-N	576.028	6.537	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1cccc(F)c1	408904850	PMIJQUUUWIFMDM-QDTIIGTASA-N	534.813	6.683	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)cc1	408921338	AKGSYSQLDYDJSN-DEDYPNTBSA-N	568.449	5.338	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2C#N)c(OCC)c1	408947461	NSFAIGWTSVEELB-SSEXGKCCSA-N	706.619	5.183	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1O[C@@H](C)CC	408956142	YUPAWMOTNQVKMC-PPTANMRCSA-N	574.519	7.555	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)c(F)c1	408967951	SYIUCXHQYUKJIO-XAZZYMPDSA-N	581.239	6.718	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	408970043	ZEGFLFFLKGKXFD-RXFQHFAFSA-N	620.533	6.226	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408982025	XIISTELTVATHEF-QRGYCXFASA-N	522.561	5.185	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CSc2nc(C)cc(COC)c2C#N)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409005615	FOSKBOMNYMTGHQ-CAHBVUMWSA-N	733.483	6.209	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1cccc(C(=O)O)c1	409021450	ILTIAPZSRZPQCR-NVJOKUIPSA-N	557.784	5.898	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409039030	QKHCOKFZFFOJTO-XICOUIIWSA-N	554.675	8.050	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(F)cc1	409042596	YNGBMBDRSHSDTP-FABQOPTDSA-N	584.445	7.155	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409043539	RQTHOXYLXCGNMQ-LZYBPNLTSA-N	598.188	7.494	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccccc1	409048540	RSKJWKJJWLDQTA-UDWIEESQSA-N	581.410	5.480	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1	409048865	UHVKKMAMAQXECK-LICLKQGHSA-N	546.646	6.990	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409053360	CBANWTGUNIVDPY-XKJRVUDJSA-N	570.698	7.459	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409062413	UJTZOUVPANWFPR-KVAAJVFYSA-N	630.525	6.061	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	409073810	ISEMMRDKLGBMMZ-GZTJUZNOSA-N	550.942	6.071	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409078096	GONANZOYLSKVLU-CXUHLZMHSA-N	508.874	5.811	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCc1ccccc1	409085072	NSOHLTAMUPLTEY-LICLKQGHSA-N	523.299	5.281	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)NCc1ccccc1	409087144	GMRHVKIHQMYLJY-LZYBPNLTSA-N	602.195	6.044	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1ccccc1C(F)(F)F	409163040	KZXHEVUXIORYGG-ODQASSKESA-N	710.491	5.616	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2cc(Cl)cc(Cl)c2)cc1	409185939	SXPXDOACLVMKAE-ZSNJKBEMSA-N	632.569	7.380	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	409188744	ACFSSYHWXGUPCE-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)nnc1-c1cccc(Cl)c1	409190098	KQKJXDNJFDOBQF-DEDYPNTBSA-N	545.024	6.532	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409223002	FWJHQUVNMUYKMF-IXXCKBAZSA-N	637.317	7.391	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	409226359	VINHHCOFKNMTON-KYHGBAKBSA-N	562.409	6.237	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409248618	HKEJSKGQZXCGKX-SYERDGIWSA-N	552.400	5.399	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)cc1	409268694	XSOWDVYOPRRHMD-MOSHPQCFSA-N	534.410	5.638	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1	409268972	CCAGFXKKMDAODA-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCc1ccccc1	409309845	NFKSXTJTXWNTOM-APTWKGOFSA-N	545.035	6.669	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC	409310206	SBVPTTHPOMGPQO-UHBFCERESA-N	540.016	5.236	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OC	409317113	ODLMQQQMTKPDHE-MUXKCCDJSA-N	560.832	5.291	50	40	KKGB	
C=C(/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N	409331904	DXCRKCMIYOXHBX-RGVLZGJSSA-N	510.421	6.729	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(Br)c1OCc1cccc2ccccc12	409366287	ZTLHNUOJOYKWMA-MZFJOGFUSA-N	545.477	6.835	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(C(=O)O)c1	409371386	IEWRNEUVFZATFQ-OCKHKDLRSA-N	556.312	5.549	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)cc1	409394843	GONURIAWWBGCTM-UHFFFAOYSA-N	614.927	8.159	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c(-c3ccccc3)c2c1	409395410	NGFGPUKZSOCZIW-UHFFFAOYSA-N	635.312	7.553	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409395481	OBZCSRMQBUZAND-UHFFFAOYSA-N	600.900	7.796	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409396862	CCLSAHZHBLETAL-UHFFFAOYSA-N	555.993	6.928	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409397864	OVRRCPOBMHBSLV-UHFFFAOYSA-N	687.843	8.095	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)c1	409398619	UWFARMVUHUKPAO-UHFFFAOYSA-N	574.036	7.633	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1	1529548003	VGCHHFPEHOLEAR-GQZAJMAYSA-N	734.616	5.908	50	40	KKGB	
Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1	2676292	WZIWIMQGEFPDSO-OKCVXOCRSA-N	502.954	5.315	50	40	KKGB	
O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1cc(Br)c(O)c(Br)c1O	3092323	ANERQIPOOABQEY-IPBDZQFASA-N	547.414	5.112	50	40	KKGB	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12	3207325	CLQZTVJUHLIZHW-NDZAJKAJSA-N	506.635	5.822	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	4045441	WRUFOXMXKOKLQP-YTYJXIDUSA-N	612.042	5.455	50	40	KKGB	
CC(=O)Oc1c(C)c(C)c2c(c1C)[C@@H](I)C[C@@](C)(CC[C@@H](C)CC[C@@H](C)CCC(C)C)O2	5663144	BGDSBNWZQBGEIF-HGBBHKOVSA-N	556.569	8.823	50	40	KKGB	
O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1	6144164	WANUOCNMOOBJJB-YDZHTSKRSA-N	518.045	5.166	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/CC)c3ccc(O)cc3)nnc2-c2ccccc2)cc1	9273058	UWMMZJAGHLYIRA-COOPMVRXSA-N	501.612	5.061	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1Cl	12419414	VIZGMKNHBIDKNE-YBFXNURJSA-N	516.388	6.285	50	40	KKGB	
Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)s2)cc1	13801099	ICIDJHZEOYJCTD-RPPGKUMJSA-N	514.394	5.358	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccccc1	28217204	UBQUJJYOFLHSRM-STKMKYKTSA-N	505.666	5.176	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)Cc2ccc(Cl)cc2)cc1	59222173	ZXJFKVBBRYWQOE-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	59336191	LALJAMRHQWMRRD-NVNXTCNLSA-N	510.179	7.564	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3c(Br)cc(Br)cc3Br)o2)cc1	97961033	DZSTVDWKGRUGLE-KBKYJPHKSA-N	629.099	5.940	50	40	KKGB	
C/C(=N\NC(=O)c1cc(C2CC2)nc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965730	LHPVIKRHMJHUGE-JAVXJAORSA-N	540.439	6.038	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CC(=O)N/N=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1	98001263	UIOMGZWZVTWVEB-FQMUTUERSA-N	748.839	6.136	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1	98048696	SUFRPBPHNVJHCA-LJAQVGFWSA-N	552.700	6.327	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccc(Cl)cc1	100063692	AXLLTPNWUZLTFY-JFLMPSFJSA-N	524.857	5.767	50	40	KKGB	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4[nH]3)c2)C[C@@H](C)O1	100900635	CJNBMBXOVCPPPN-DCISRPNSSA-N	564.671	5.278	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCc3cc4c(cc3Cl)OCO4)NC3=C2C(=O)CC(C)(C)C3)cc1	101096961	NULALUJHXRMCAQ-XMMPIXPASA-N	509.027	6.076	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)ccc1OCc1ccccc1	101513825	CFRDSYPLWQRDOR-SEBMTOOBSA-N	619.791	7.370	50	40	KKGB	
CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528475	YDTUEYHHSNEWRE-HNNXBMFYSA-N	506.328	8.714	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	103895875	TXTGOFUEGAVICB-QXUDOOCXSA-N	546.498	7.472	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	104704961	GTXNKNAZFZEYFL-PPOKSSTKSA-N	605.116	5.727	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2O)cc(Br)c1OCc1ccc(Cl)cc1Cl	105986404	SBHAUQPTNNLOFC-KKMKTNMSSA-N	538.225	6.203	50	40	KKGB	
C=C(C)[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@H]1SSc1nc2ccccc2s1	150392081	XIWJNWWOPFNDHF-MUZHKWOHSA-N	681.861	7.046	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCCC[C@H](I)CC(F)(F)F	169795410	NNVOPKBQBXNSJG-GJZGRUSLSA-N	600.207	8.790	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]12	170621498	KQIHYMLPAWUVKD-HHNBWTQHSA-N	503.605	7.054	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C	253531125	ZODHPXNJFNZLJV-DFYZIJLCSA-N	597.722	9.946	50	40	KKGB	biogenic
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2OCC)ccc1OCc1ccccc1	408539474	WNLFQOMINHFZBC-WGOQTCKBSA-N	599.083	7.547	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccccc1C#N	408550312	FVINNORETXHTJI-ZMFRSBBQSA-N	556.403	7.358	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2c(Cl)cccc2Cl)cc1	408608780	IOGFVWMOSKVCDS-WKULSOCRSA-N	528.392	5.235	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408642839	FHWIWUYUXLWKAL-CYJHHTLLSA-N	638.051	5.864	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1Cl	408646903	JBJCVUXGRGDAJZ-PHARUCHRSA-N	698.022	6.318	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1	408676840	ALAGPWURFSGYIS-YYWQKNRZSA-N	614.707	5.177	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	408723488	WIQSCHXJXMLHAH-NCORDJIRSA-N	580.471	5.889	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c1	408743997	DAWOPHLGKCCVFB-QJOMJCCJSA-N	538.629	7.098	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408746050	WVUQRSSOYAPQPZ-NVMNQCDNSA-N	546.248	7.198	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408746287	RLTRYUTYWLLZRT-SXGWCWSVSA-N	564.636	7.129	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1Br	408746336	YMNSMZPGVIYRBN-XNTDXEJSSA-N	506.194	5.721	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCc1ccccc1F	408746516	DYRYZRUFCCHSCX-MZJWZYIUSA-N	548.352	5.181	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I	408753893	KXCYCYWRKCBHBA-QPEQYQDCSA-N	588.037	5.927	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1	408789633	QNNBROCXGQSBJS-UDWIEESQSA-N	556.375	6.126	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1	408798205	VBWQWMCPWOOZOX-YBFXNURJSA-N	666.151	7.503	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1F	408798599	VXZIPILZRHUIPC-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1C#N	408798874	XLCHIEJDKVQNOM-KEBDBYFISA-N	536.813	6.498	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)cc1Cl	408821284	FPZCUYMQSNRGHS-CAOOACKPSA-N	547.822	6.797	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OC(C)C)c1	408826367	BZDHIDUGCLHJDU-KGENOOAVSA-N	521.411	6.370	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)NC1CCCCC1	408826497	GXMHTCRJRLEXHY-HSASTMCKSA-N	570.715	5.052	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2cc(Br)ccc2o1	408847217	QASQYJIBCFYHCG-BCHBDCPOSA-N	607.642	6.862	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1	408847945	VYOHARHJYGFIAF-IRWBXMRWSA-N	765.393	8.698	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)n1-c1ccc(-c2ccccc2)cc1	408848208	QTKOMXIBHINLFI-MHDJOFBISA-N	606.535	7.272	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1Cc1ccccc1Cl	408867223	JOHJNKPKZLOCQL-RGVLZGJSSA-N	556.831	6.707	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(OC)c1OCc1ccccc1C#N	408868822	PASLIWUJRJLONX-VULFUBBASA-N	523.589	5.115	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408873847	XMLQCHKATQLFSY-LGUSAWBASA-N	734.126	5.528	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	408878579	CACHSTMCKZEDRU-WKULSOCRSA-N	582.248	6.357	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408879578	FIOLXWZJUXGTFT-RQZCQDPDSA-N	595.118	7.952	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	408882810	RBBXHLBZKGBHGJ-LUOAPIJWSA-N	536.893	7.078	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccc(F)cc1	408887313	NNZBCMOLEWOUDB-LICLKQGHSA-N	607.217	6.326	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OC(=O)c2cccc3ccccc23)c(OC)c1	408890412	SQQGXZAVIKIVLY-FJEPWZHXSA-N	612.274	6.365	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2cccc(Cl)c2)cc1	408894442	QLIZZJAAHGUWCT-MUFRIFMGSA-N	556.475	5.142	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	408898070	KFDFDUFWXPGIDV-GZTJUZNOSA-N	528.348	6.043	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1cccc2ccccc12	408904734	NTPBPBSYBSVEKH-ACXHZZMFSA-N	588.414	6.998	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1C	408921825	CGHYPRZNMXZEQZ-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c(OC)c1	408923069	IXNVZRNFFMANKC-RZNGARSMSA-N	730.410	5.519	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc(Cl)cc1	408968829	ZPRJMCVHQVNACA-VFLNYLIXSA-N	530.781	5.855	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408971351	IPOAHRNZQZUWBY-ZPOCZLHOSA-N	573.315	5.603	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408972358	RVYSIAABZOHIEX-OUQXRLOJSA-N	664.368	5.844	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	409001055	GGNVCACRGNJKLR-PDCOQUBPSA-N	696.998	5.988	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl	409006543	OTGGTCVEQFAUTF-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409008468	WPESZYMNYUWOJE-YNFMAFFXSA-N	682.207	6.771	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409021051	XHKMSAWHNGUGKP-BIZUNTBRSA-N	524.621	5.583	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409024965	OIJLBUARUPYUHS-QLQYKETESA-N	682.195	6.079	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	409041451	ACUQUURGUWNKPS-MHWRWJLKSA-N	521.809	6.269	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	409065905	JKADEWIBIVHOJQ-LFVJCYFKSA-N	516.619	5.662	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)OCO3	409101027	OQFFNHZMKABHBS-JOCHJYFZSA-N	601.207	5.646	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409124270	AONBCMCXUJWAEN-JOCHJYFZSA-N	611.263	6.390	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1	409143203	ZOFXLVQDQFKSPS-HSZRJFAPSA-N	542.861	5.810	50	40	KKGB	
O=C(COc1ccccc1I)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1	409188078	WTFHFCRVWBJMKU-JJFYIABZSA-N	512.756	5.218	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)nnc1-c1ccncc1	409189880	JSGSFAOVAMXQOP-UVHMKAGCSA-N	542.408	5.490	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1	409222879	DOADJXRBOIPAMS-MNBJERMJSA-N	511.965	5.884	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409227651	ZXELGEPKRQJXLI-UHFFFAOYSA-N	601.273	7.536	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl	409227754	WGFHQEWTSMJNPW-LFIBNONCSA-N	545.220	6.319	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2C)cc1	409247195	BQXWVZMACNGOSO-UYRXBGFRSA-N	520.383	5.329	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409252021	RGVAJIIMPHRJHU-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl	409254473	DSKBKYYTXITNHU-LICLKQGHSA-N	514.796	6.518	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409330577	BOYHEZSCEWTQEQ-CNCDYAKUSA-N	640.409	7.128	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OC	409332818	MXGUQLUNZAANFT-UHBFCERESA-N	632.451	5.528	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl	409363107	KYJHHGBBOHPIQT-VFLNYLIXSA-N	506.817	6.187	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(OC)cc(OC)c2)cc(OCC)c1OCc1ccccc1Cl	409369781	XEMOXIQQYREMKK-LQNQUEJISA-N	509.002	5.827	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409371986	CVUUIIOHHFVQDP-IPPBACCNSA-N	568.811	6.515	50	40	KKGB	
Cc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)c1	409373478	WOSVIDJMYQDZSI-WKIKZPBSSA-N	569.308	5.406	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c(OC)c1	409383743	DLRCFIAWFFEMJI-KKMKTNMSSA-N	627.127	6.334	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	409392557	QQUGMEAAYJKNFY-ICUTVXMZSA-N	640.521	7.704	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccccc1	409395036	JCLPSMZPMMQZSA-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396348	MYOKZRZCZJYRIM-UHFFFAOYSA-N	693.925	7.483	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409396875	CHTXIIFCIMUXLY-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409397624	LZXYJLMMBHUYCY-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409398294	SFQZCXSVWDTCMN-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc(Br)cc1	409398904	WHYXGFRNKHOGBQ-UHFFFAOYSA-N	556.391	6.720	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)o2)cc1	409410618	YORZTXSPYAMLSN-MWBNBJEGSA-N	646.925	7.665	50	40	KKGB	
C=C1/C(=C/C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C[C@@H]2CCC(=O)C2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	642811127	VUNSKLXNHPLZTO-RBMWEJIKSA-N	641.142	11.582	50	40	KKGB	
CO[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	2049251883	DFPLCHVNJPFGLA-TUHMCKECSA-N	606.744	6.014	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1	939457	QUZGNDQFDRRNCP-SFQUDFHCSA-N	508.372	6.441	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1	1839647	AKLLUHOPEBTYSH-ALQBTCKLSA-N	598.128	6.726	50	40	KKGB	
O=C(N/N=C/c1ccc(I)cc1)c1ccc(OCc2cccc(Br)c2)cc1	2147992	WKFVRHZWQWKXNC-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1	2654940	LKWQZDUMFSRJJV-UHFFFAOYSA-N	506.587	5.713	50	40	KKGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3cc4c(C)nn(-c5cccc(C(F)(F)F)c5)c4s3)ccc21	3299857	UAJWIBYLVMANNN-UHFFFAOYSA-N	526.544	5.167	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c(Br)cc1OCc1ccccc1	4196435	LAWMZLWTTJILRU-VTNSRFBWSA-N	592.559	7.148	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9057370	MFWJWMXFVUXYPA-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccs3)nnc2-c2ccc(Cl)cc2)cc1	9273063	TXBIZZVDGVJYDQ-QQXSKIMKSA-N	512.060	5.680	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1	20197712	KFLLWWOVRKXESK-MFKUBSTISA-N	501.368	5.251	50	40	KKGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccccc2Cl)cc1	20348311	ZIIZAEZJFWXKBV-XMMPIXPASA-N	502.039	6.134	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	58915466	OSTWVDBNWZOGCL-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	59105200	YYZTUNMOISGKMR-JAIQZWGSSA-N	508.380	6.459	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc(C)c1	59333032	MXELIUTURCOWPK-JLPGSUDCSA-N	502.014	5.492	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1F	59333218	GHJYUHIGUXEYQK-KQWNVCNZSA-N	520.004	5.713	50	40	KKGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	59646803	LDEMWXBMGVNAKB-NDZAJKAJSA-N	538.585	5.247	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Cl)[C@@H](Cl)c2ccc([C@H](Cl)[C@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	68563488	LYNBJUDBJRYFET-MYGLTJDJSA-N	604.186	7.839	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	97951790	NVQSNSDVWWEQBP-PMERELPUSA-N	538.669	6.633	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c(OC)c1	97957889	VQHVLHBKGGXPHO-MUXKCCDJSA-N	542.448	5.501	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1ccc(C)cc1	97958985	GVPFKWRQYIFYOS-FDAWAROLSA-N	545.433	6.221	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	98043583	LFSKDZUPBUQISP-WJOKGBTCSA-N	580.109	7.304	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1)S(=O)(=O)c1ccccc1	100103089	XEWBUBUJDNUYAM-DPNNOFEESA-N	606.169	6.302	50	40	KKGB	
Cc1cc(Cn2ccc(C(F)(F)F)n2)c(C)c([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c1	100250958	OZPRFYNVQNQCBH-MHZLTWQESA-N	563.599	6.647	50	40	KKGB	
COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1Cn1nc(C)c(Br)c1C	100292237	OECOHMGXJWJVOH-NSKAYECMSA-N	540.245	5.155	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332183	QFKGDFQMMBHUKB-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
N#C/C(=C(/NC(=O)c1ccccc1)SCc1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl	100739382	NTMUGDRRYNWZRE-WABZQMDPSA-N	537.084	7.795	50	40	KKGB	
Cn1/c(=N\NC(=O)c2ccc(Oc3ccc(C(=O)N/N=c4/sc5ccccc5n4C)cc3)cc2)sc2ccccc21	100811671	KFERIGRJPGFUEJ-BNRZXNFUSA-N	580.695	5.077	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	101094983	YDYXGQMPJQRNPF-GPSDDGMOSA-N	536.426	5.962	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl	102078833	TZLPWZSETLUYLS-OAQYLSRUSA-N	563.304	6.557	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3OC)=C(C#N)[C@@H]2c2ccco2)cc1	102513504	AVMZIYHBCKGSNG-HHHXNRCGSA-N	572.643	5.171	50	40	KKGB	
O=CN/C(=C(\S)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102618781	KVSPBHWEDWXAFZ-RQZHXJHFSA-O	507.040	6.229	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cc(Cl)ccc2C)N=C2CCCC(O)=C21	102873640	XACYDQYRUYGNQU-VWLOTQADSA-N	508.043	6.688	50	40	KKGB	
CCN(CC)P1(N(CC)CC)=N[P@](N)(N(CC)CC)=N[P@](N=P(Cl)(Cl)Cl)(N(CC)CC)=N1	102938143	GJBMUCBPZCAGHW-JSOSNVBQSA-N	590.830	8.827	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)cc1	103887444	WLGWDEZBNFLKHE-XKZIYDEJSA-N	531.837	7.689	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C(=O)OCC)c1C	109662249	KPTVVHHEDQBIQS-UDWIEESQSA-N	586.493	7.015	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12	112255478	AEKKGHMYEUUSNV-VFAVGRHPSA-N	575.668	6.125	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3Br)C2=O)SC1=S)NNC(=O)c1ccccc1Br	150454201	OHHGSXSHYBRRDK-OCEACIFDSA-N	884.720	5.487	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	164587595	UCLRMIZZYWGTBK-UVHMKAGCSA-N	660.677	6.291	50	40	KKGB	
O=C(OC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	195996459	PMNQBQXKNGOCHF-ZXZARUISSA-N	642.083	6.126	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2OC)ccc1OCc1ccccc1	408536703	AKUWORPNZZXKII-ZVHZXABRSA-N	615.480	6.876	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(OCc3ccccc3)c(OC)c2)cc1	408537970	IRRZWXKVXHFKNY-UQQQWYQISA-N	555.030	7.061	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(C)cc1	408547808	AAWADLGKPLNZOY-MXAYSNPKSA-N	531.393	7.405	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(Cl)c1	408552438	IKLFAMGQSKXUQB-OHUIHDMLSA-N	589.195	6.556	50	40	KKGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)c1	408568514	KCDARXUTZIALSH-RWPZCVJISA-N	523.680	5.197	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc2ccccc2c1	408570148	RZSQDOLALTXQKI-UUYOSTAYSA-N	542.408	7.660	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCc3c(Cl)cccc3Cl)CC2=O)cc1	408606888	MNFUECBZTKIYHV-SFHVURJKSA-N	528.436	5.640	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	408610919	OYTKHIWUIMBDJG-XODNFHPESA-N	520.800	5.713	50	40	KKGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	408612422	VHHBUUNNYRXOQR-KVSWJAHQSA-N	533.799	5.062	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408647212	UUBJBKVLZUMRDU-YCAMKHIRSA-N	747.780	5.630	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408649846	LPSNJPOGDIKRND-GHMQEZDJSA-N	828.135	6.993	50	40	KKGB	
O=C(NNC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccc(Br)cc1	408650960	GDJPOXGZMOVAKJ-MHWVZRRTSA-N	689.393	5.415	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc(N2CCCC2)cc1	408677043	OPOCZKPYJBVYPB-AMVVHIIESA-N	537.274	7.243	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3cnc4sc5c(c4c3=O)CCCC5)cc2)cc1Br	408729679	BXBQTUJYWJGETI-XKJRVUDJSA-N	616.335	5.624	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccn3)c2-c2ccccc2)cc1	408741977	TZILCBPVYLIAKA-PPOKSSTKSA-N	514.585	6.147	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1Br	408744499	YFPANAFRAZMVAF-QXUDOOCXSA-N	629.352	8.109	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408760584	BEVZHNNOHHYRLL-BOPFTXTBSA-N	608.841	5.575	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(C)cc1	408771732	BTNUWEUWRPDNCQ-UQQQWYQISA-N	560.492	5.991	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408772827	FZMNJCDGRRZSGM-JJKYIXSRSA-N	505.684	5.645	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(I)cc1	408778076	AGKGREUQYZFYMF-WQRHYEAKSA-N	544.776	6.078	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)NCc1ccccc1	408778913	ZPABSIPFLRJBBU-YVLHZVERSA-N	501.848	6.283	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408789353	PCWXCMZETRDTPD-RGVLZGJSSA-N	627.391	5.509	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)c1	408792086	HOXRZPXGDOXCTH-VXLYETTFSA-N	605.245	6.934	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408792331	ATGRSSCJDLSDJX-CAOOACKPSA-N	699.670	6.891	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2I)cc1	408796520	OLIRXVQZPHMFKF-SRZZPIQSSA-N	648.282	6.946	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1cccc(C)c1	408797443	RQCIVHKDZANHEA-LPYMAVHISA-N	549.421	6.068	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408833698	UNYHGEARLBPFLX-IBBHUPRXSA-N	574.461	6.189	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408838325	DNSXPYCDOBMGAP-IRWBXMRWSA-N	724.003	9.220	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408838840	JDTGIMYQGVCUNE-HZTVMEOHSA-N	737.086	10.019	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)cc3)cs2)cc1	408839427	SBDSUJSVJLAVEM-AABVJFSESA-N	768.431	8.480	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCC(=O)O)c(Br)c4)cc3)cs2)cc1	408846502	SRPFUGQJTHPJLW-XKJRVUDJSA-N	644.345	6.614	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1	408854131	YFYZEHWUCNBTIH-CIAFOILYSA-N	525.830	6.304	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(Br)c2)cc1	408858985	VEXAGFRXUZECML-MBTHVWNTSA-N	508.803	6.338	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408861533	CRMFLUHDWSNABY-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408866356	GYFZAOLOWFXNJM-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408871706	ZFZSTJGEOXPPBD-CLHYIUPASA-N	691.593	6.645	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1	408883384	QZUDZOWBJVBGST-FYJGNVAPSA-N	503.385	7.280	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1Cc1ccccc1Cl	408883935	SHHVNVUMAKPEHH-UDWIEESQSA-N	600.840	6.266	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccc(Br)cc1	408885632	DDJYMSRPFMBHQS-CPNJWEJPSA-N	603.254	6.577	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OCc1ccccc1Cl	408887911	SBNWPQSYFZNOML-VCHYOVAHSA-N	593.248	7.121	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408903863	ANLOMLXHSMSUCX-MBTHVWNTSA-N	553.413	6.137	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)ccc1Br	408905637	ZZRVHQAABIRYAK-NUJZUDFISA-N	563.412	6.416	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1	408925101	MBMKNMKKOWYXSL-UHFFFAOYSA-N	515.985	5.771	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408926174	VSVJOCHNDLDCRI-GZTJUZNOSA-N	649.317	5.492	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)c(OC)c1	408938975	ATFCIQDVKZSYIJ-MGBGTMOVSA-N	638.746	5.312	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1	408941568	DWLJERHVVDMSTM-LJAQVGFWSA-N	773.606	5.062	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccccc2F)cc1Br	408953856	YKFYQHXVBYDEFQ-LJAQVGFWSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)c(OC)c1	408954183	NEGFYNOCKHFPFC-SNWGEUDMSA-N	674.552	5.181	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408955915	VFFDOSOCSQLWCV-OCKHKDLRSA-N	559.280	7.626	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O	408969141	IAJOZXLYAXDESV-WVMIMECUSA-N	623.331	5.505	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1	408978569	JDWHABZFOBTMAK-MLLNQDGASA-N	507.590	5.286	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(F)cc1	408982344	GOMJUAAHWNKQTM-VCHYOVAHSA-N	529.793	6.683	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Br)cc1	408990344	XBQUSGURQXFXKT-OCKHKDLRSA-N	574.700	7.607	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408991917	RMOBLVFVYZYLKF-GJIJCKQHSA-N	610.498	5.682	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccccc2)cc1	408998625	BPUQXBRXGDHNMW-FUGGPRTCSA-N	542.705	5.579	50	40	KKGB	
O=C(O)c1cccc(COc2ccccc2/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1	409011429	NJJNIJRCHPUMSZ-KKMKTNMSSA-N	619.209	5.841	50	40	KKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1C	409012611	QWRZMFJNAAWMCB-LUOAPIJWSA-N	610.677	6.933	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	409013404	KENQNUAYXHCMOT-NAWFDXIMSA-N	560.434	5.400	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OC)c1OCC	409018751	YZQISDHLSAHLLF-BRJLIKDPSA-N	583.220	5.700	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409034708	QUBXYIZKSLQQNA-OHUYPAJKSA-N	570.874	7.661	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1	409039781	DMCREOJXLDUSAZ-CPNJWEJPSA-N	567.383	5.253	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cc([N+](=O)[O-])ccc1O	409044330	BXEXJPWJTCMMRB-XODNFHPESA-N	599.235	6.322	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409073271	LSBYZIKBEYWAOE-XMHGGMMESA-N	543.428	6.044	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)c1nc2ccccc2[nH]1	409081324	KJWHKFXBCDRHBW-NTEUORMPSA-N	529.272	7.109	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409180236	QJSBHRDJDXXZPE-GHIMHLSJSA-N	659.758	6.547	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)C(=O)Nc1cccnc1	409192265	CALIUHOQOCWEER-RIYZIHGNSA-N	538.376	5.779	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409192828	CCZVUTJGUGPMAZ-MLEMOKSJSA-N	509.591	5.911	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1ccc(Cl)cc1	409193797	MOJUNBOHMFXSLN-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1	409219641	OQXOKCUYONIMMO-UHFFFAOYSA-N	601.413	5.901	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409223607	IUYLYNONPBCJGA-MHWRWJLKSA-N	534.321	6.575	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)n1	409238944	XIWQEMYOBWTIHH-NSKAYECMSA-N	690.199	6.044	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)ccc1OCc1ccccc1	409253640	UXPDNNANBRDJIX-RGXNXFOYSA-N	523.589	5.446	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(F)cc1	409254913	YJPLQDOARTZYRE-HMAPJEAMSA-N	570.402	5.674	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(N)=O	409258998	WWZAZPWAJGURJD-IURWMYGYSA-N	628.936	5.996	50	40	KKGB	
O=C(NN[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)[C@H]1NC2(CCCCC2)Cc2ccccc21	409283916	QQUKJORCIKKYGI-FTJBHMTQSA-N	503.046	5.231	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409315500	VUGWEYJIJYUOHL-YUMHPJSZSA-N	538.513	5.255	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)ccc1OCc1ccccc1	409325692	ZRLPPSMSTYDUBA-FZPRHHONSA-N	593.449	6.527	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)ccc1OCc1ccccc1	409335012	NTUGFUXNHFKOCC-DBSPGSINSA-N	639.546	7.932	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OCc1ccc(Cl)cc1Cl	409362757	KBEFLHMKISUQPX-RPPGKUMJSA-N	625.381	6.612	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OCC)c1OCc1ccc(Br)cc1	409371086	AXKKAXCCIJTRDA-HAHDFKILSA-N	528.450	7.404	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccc(Cl)cc1Cl	409372572	LUMDSJSKEFUIOX-QDTIIGTASA-N	581.250	6.335	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409377522	HVLCHZVZGQOKRA-QDTIIGTASA-N	548.796	5.422	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409394842	GOMDRMGUCNWBCZ-UHFFFAOYSA-N	739.808	7.971	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409395865	SOSXMDJQGNVZFB-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397883	PAGNVEKONJKTFA-UHFFFAOYSA-N	660.424	6.339	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1O[C@@H](C)C(=O)OC	409404258	PPIMGEVODSFOSV-UNBWNHLBSA-N	672.960	6.785	50	40	KKGB	
CCOc1ccc(-n2cccc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409409396	OQYMIBRKBLKYBG-RGXNXFOYSA-N	522.605	6.219	50	40	KKGB	
C[C@H](CCC(=O)N/N=C/c1ccccc1O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	2033240040	BXTRCTCQZGWSNF-MVWCUDHQSA-N	510.719	5.249	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	1438104	NCZSKLUSVIVSGS-SANMLTNESA-N	514.676	6.017	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1	2219511	HQTUHZFBCVRIEG-GFPZRUSRSA-N	508.430	6.367	50	40	KKGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CC(C)(C)C3)c(OC)c1	8456017	GTBCOQQIQWYGCY-HSZRJFAPSA-N	538.988	5.215	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	12250716	PWYBQIRPDLIZOJ-AREMUKBSSA-N	514.676	5.441	50	40	KKGB	
O[C@H]1CCCC[C@H]1Nc1cc(Cl)ccc1SSc1ccc(Cl)cc1N[C@H]1CCCC[C@H]1O	16385180	BSRKUWPLOROVET-MTIDIVMFSA-N	513.556	7.224	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	19940195	YKVGDVVNTHRCPN-HHHXNRCGSA-N	512.635	5.911	50	40	KKGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	19949821	LKCDRPLCPOFYLJ-UHFFFAOYSA-N	514.648	5.567	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl	34762855	KEPTXQDSSKLOCH-ATVHPVEESA-N	502.398	5.375	50	40	KKGB	
CCCCCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccc(Cl)cc3)c3ccccc32)cc1	46085108	XEAYDASEQFILAQ-QVTSOHHYSA-N	506.002	5.355	50	40	KKGB	
C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	58917743	PLBSMNKEFBGTFM-DNDVPWARSA-N	502.083	7.189	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	59856353	QSPQSSLXGPELFX-JWHWKPFMSA-N	588.173	7.495	50	40	KKGB	
N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(OC(F)F)cc3)cc2)cc1	97984145	CUTZNQMGPARVGW-QFFDILLMSA-N	690.631	6.814	50	40	KKGB	
COc1cccc([C@H]2C(C#N)=C(N)N(c3nnc(SCc4ccccc4Cl)s3)C3=C2C(=O)CCC3)c1OC	98006250	GNHWNYIQKWDOON-QFIPXVFZSA-N	566.108	5.806	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccccc1	100100126	DIQPSGBKENCYEF-KCSSXMTESA-N	541.493	6.179	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OCC	100228965	GWDMNOJZFGIREW-VTNSRFBWSA-N	596.027	5.668	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(I)ccc2O)cc(Br)c1OCc1ccccc1Cl	100326030	HLOTVPBSSOZQBH-KBKYJPHKSA-N	615.649	5.764	50	40	KKGB	
N#C/C(C(=O)Nc1cccc(Cl)c1)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	102077035	CFXTYOHRRFSZPO-XKCZREFCSA-N	528.848	6.712	50	40	KKGB	
CCOC(=O)O/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1	102930037	ZKBZXONLPPXEAA-SLMZUGIISA-N	532.394	6.915	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl	103889042	CIECULKYHXZAJY-HKOYGPOVSA-N	568.891	9.317	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	164729265	YVFQBUIDAVVVSZ-CHHVJCJISA-N	648.111	8.038	50	40	KKGB	
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCN[P@@](=O)(N(CCCl)CCCl)O1	301054506	XHETZCWARGANIQ-GHIGKWGRSA-N	515.462	6.188	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)ccc1OCc1ccccc1	408537952	IMGQPRZVCYIHHX-MFKUBSTISA-N	573.476	8.096	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(OCc3ccccc3)c(OC)c2)cc1	408538310	KTGKELKUJIOEOX-DIBXZPPDSA-N	548.595	6.185	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408541107	DTPHGGLRSXHNEH-BWAHOGKJSA-N	501.627	5.256	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(C(=O)O)cc1	408541443	CQVFXJVOWIEKIQ-IDUWFGFVSA-N	537.624	7.751	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408542324	KQFZCSHEJLEVFE-NVMNQCDNSA-N	552.337	5.189	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408543728	SMYAAGQYKGSBDO-ZDLGFXPLSA-N	629.382	5.090	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1c(Cl)cccc1Cl	408606006	KVBVZJRWBHXRQG-SFHVURJKSA-N	528.436	5.694	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408640276	HTZPYLOTVBFPQI-XBTSVGFCSA-N	553.845	5.791	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccccc1	408678456	ZGZYDOJWMJPPHW-RDRPBHBLSA-N	522.443	5.791	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408685684	PYACCIDSDGYTFI-FZKCQIBNSA-N	634.108	5.381	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	408718056	FYNSXYXRLVLMGL-OPEKNORGSA-N	537.153	5.647	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3)cc2Br)cc1	408743795	HLVKNOPEVGTJCE-MOSHPQCFSA-N	507.384	5.981	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)ccc1I	408746131	BRTKWVZFKSIGIU-RPPGKUMJSA-N	691.101	6.010	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408747436	NWZHIPPHWCSCOR-ZMGVVAQMSA-N	685.312	5.748	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1cccc2ccccc12	408749317	FRBJKPURKSJTEH-XICOUIIWSA-N	595.493	6.576	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc(C(C)(C)C)c1O	408759142	YMSICFBMOKTCNC-ALQBTCKLSA-N	564.126	6.741	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1	408763371	NIHVDFDXNRBPHG-XSFVSMFZSA-N	569.433	5.248	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(Cl)cc1	408788885	MUNOILVMTNZDAU-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408789005	HAGWOCVAGIBVET-YBFXNURJSA-N	530.249	7.443	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408789110	OATBXLCIUBHSPQ-VXLYETTFSA-N	555.812	6.324	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408792423	JXMQEXAJKSFANB-DJKKODMXSA-N	570.827	6.843	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2I)cc1	408795140	KHDFHZWKLGGDNM-DJKKODMXSA-N	621.700	7.449	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408811895	BQCKEYTWTNRMSC-RQZCQDPDSA-N	517.796	6.789	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3c(C)ccc4ccccc34)c(OCC)c2)cc1	408819567	XUCCUQXSGKIELR-PCLIKHOPSA-N	613.508	7.611	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Br)c2)cc1	408820254	UVVNUAAVQBAXFF-NHDPSOOVSA-N	525.830	6.222	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3Cl)cc2)cc1	408836369	QOXGZMXSBVIFDL-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccccc3/C=N/NC(=O)c3ccc(NC(=O)c4ccco4)cc3)sc2c1	408841011	FBVDWYJPGFTJOS-WCMJOSRZSA-N	558.015	6.692	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408842446	OZXLWOGPMQXUHP-JBFMKSPFSA-N	651.188	7.450	50	40	KKGB	
O=C(N/N=C/c1cccc(Br)c1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408847673	UDGPKPMNKZRPCB-KKMKTNMSSA-N	591.712	7.096	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1cccc(C)c1	408851887	GZLDSDWCKZPIGR-UDWIEESQSA-N	556.375	6.262	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1	408857624	LIINKOHRPXNTOO-XAYXJRQQSA-N	550.464	5.136	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)OCCO1	408875328	JMHABDWCIZNDMO-BHGWPJFGSA-N	591.094	5.156	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2OC)cc1	408887250	NEXRVOZTKGFOOR-KKMKTNMSSA-N	552.208	5.756	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1Br	408887821	RJUUXIBHNFIVFC-UDWIEESQSA-N	617.281	6.886	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)c(Br)c1	408896196	QBJWLKHSQCYNFG-RIYZIHGNSA-N	681.091	7.437	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1	408906241	DHUQKALNUWVWMK-LQKURTRISA-N	509.937	5.095	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2Br)c1	408922764	GLBZJJJCUYZQCU-LPYMAVHISA-N	576.288	7.798	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Br)cc1	408939602	BAPCVQFYLXOBPN-HKBQPEDESA-N	707.647	5.650	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1cccc2ccccc12	408940842	DASPKGPHGARRQW-JGCGQSQUSA-N	717.642	6.075	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)c(OC)c1	408953000	LFMIUGPGGMHHFG-PDQWDMBESA-N	856.306	6.124	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(I)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	408960594	HCMKLASKCUDRLJ-KVSWJAHQSA-N	692.207	5.765	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c(F)c1	408966941	OCXFXYWXLLXLGA-XAZZYMPDSA-N	581.239	6.718	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1Br	408971005	CJUKGUWSVLNBTL-VOZXZEHESA-N	595.332	5.145	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)OCC)CCCC3)c1C)c1ccccc1	408982808	ZEAJUIUPBYIQKP-FIMPJCGCSA-N	564.708	5.539	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(SCC(=O)Nc3ccc4ccccc4c3)c([N+](=O)[O-])c2)c1	408989965	JPGJPVIYCHGESV-OEAKJJBVSA-N	522.586	6.333	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(N(C)C)cc1	409011268	FWJWVVZZTMMKDO-UVHMKAGCSA-N	605.274	6.037	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1nc2ccccc2[nH]1	409046634	KSOSOOCNOYYUBJ-CXUHLZMHSA-N	588.097	7.494	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409153703	MFXOKNPTHHKFIR-WCMJOSRZSA-N	551.043	5.024	50	40	KKGB	
CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(-c2cccc(C(=O)OC(C)C)c2)o1	409155832	DFUTUTANLKHFKW-KNFLVYKJSA-N	558.462	6.113	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)nnc1-c1ccccc1	409191431	HFTHZOSNQMPJNN-MBTHVWNTSA-N	546.996	6.188	50	40	KKGB	
Cc1c(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Br)cc1	409210735	MGACKHGAOHONHP-CCVNUDIWSA-N	526.887	6.656	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	409218100	HEYXWGVCYJVKLB-UHFFFAOYSA-N	511.965	5.884	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	409221719	ACIRDNFCLOPVSJ-LQNQUEJISA-N	567.514	5.047	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1	409223188	FQMOFKGFMATYPP-VKZMPMKFSA-N	578.581	5.547	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC	409223676	JGUIYJSJMDOCNB-HQDYHJHZSA-N	602.043	5.910	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)c2)cc1OCC	409223790	HWEMVGUGWCPFQG-UHFFFAOYSA-N	571.586	5.321	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1cccc(F)c1	409233693	HJQPDNCINAWTBC-HMAPJEAMSA-N	523.402	5.832	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OCC)c1OCc1ccccc1Cl	409236396	FSZWYXDWHHFTQQ-WKULSOCRSA-N	525.074	5.695	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccccc1	409242832	PGTDPTPISFKGDW-CSMVZQPBSA-N	552.412	6.053	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409251582	PTZLNPWIHMAMIJ-IUXPMGMMSA-N	646.825	5.733	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1F	409252377	XMJIFDKTUXQYMG-CTPANLQCSA-N	509.375	5.960	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	409255822	ZTXSRFXKGDPNNE-MNDYBZJGSA-N	570.256	6.776	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409264410	KBCLMZAJUSLLBF-WSDLNYQXSA-N	609.464	6.097	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OC	409302148	HQSNOGBDPONUPR-UHBFCERESA-N	540.016	5.236	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC	409313170	HWIWYWMBJMRRBC-MWLSYYOVSA-N	570.440	5.037	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCCC)c(Br)c2)cc1OC	409321845	HNYFKKSTUWEUHJ-CFRMEGHHSA-N	528.241	5.562	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	409326261	JCHVMDIEXODVFZ-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCc1cccc(F)c1	409335872	PTHWGVWAOPNIRJ-HQDYHJHZSA-N	563.025	6.808	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)[C@H](O)c1ccccc1	409354308	BUNYXSKLJUOQKX-KWCFBIRBSA-N	508.199	5.519	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	409362904	KJSQAIDXUPRPLE-KKMKTNMSSA-N	507.215	5.897	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccc(F)cc1	409363761	NEJLRQBADUGXOD-QNVXDBMFSA-N	634.520	7.781	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(Br)cc1	409368684	HTULNDANBXFCNM-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409380904	BUFXWTLOGYPXJT-MOSHPQCFSA-N	519.985	5.619	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409385998	NCWWKENAYSVGOH-LUOAPIJWSA-N	623.710	7.331	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)cc1	409388219	SWIDWXONBOOSAI-CPNJWEJPSA-N	580.435	5.428	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1cccc(F)c1	409393837	SQCCUKAFXRWLRC-LSCVHKIXSA-N	531.175	6.692	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)cc1OCC	409395154	KLPIDFSANHJZMF-UHFFFAOYSA-N	739.848	8.794	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409395824	SDROMFCSPWJJLY-UHFFFAOYSA-N	507.977	6.780	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396250	ICYQBBMERNNXIS-UHFFFAOYSA-N	555.993	7.009	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396792	BFQQAHUUMDJSMZ-UHFFFAOYSA-N	714.343	7.747	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12	409397155	GYAMUNHXRMYCOD-UHFFFAOYSA-N	556.449	7.687	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409397704	NAYYFPFZTKVGKL-UHFFFAOYSA-N	647.323	7.352	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409398664	VBPIBKCRSGENMS-UHFFFAOYSA-N	566.057	7.487	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc([N+](=O)[O-])cc1	409398676	FTQSXOKENASXLI-UHFFFAOYSA-N	594.624	6.526	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1O[C@H](C)C(=O)O	409406167	WCHXKOASGXPKJU-XVIDZLOXSA-N	580.037	5.934	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C	1529548854	SKPSQDQABQOTJQ-ZMYPREITSA-N	720.679	6.865	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)nnc2-c2ccccc2)cc1	1817310	PQWKUOZRKPGHIK-RWPZCVJISA-N	526.449	5.882	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccc(Br)cc1	3116276	ZHKKLTGLSZVWLZ-STBIYBPSSA-N	517.379	5.523	50	40	KKGB	
O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)NN=C(c1ccccc1)c1ccccc1	3339845	BRWCGIVOSJEYFZ-UHFFFAOYSA-N	519.988	6.281	50	40	KKGB	
O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(-c2ccccc2)cc1	4175124	PETLOKXHNUUKMQ-ZQFXIUIWSA-N	637.324	5.676	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	6500888	WFVVGCWKDFISFW-FADJLKOXSA-N	620.171	6.995	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1	20198049	GVFIIYFYENTKDP-STBIYBPSSA-N	525.443	6.288	50	40	KKGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1C	20243757	JRMKXPSMTIAZPZ-ROCQKPIASA-N	504.881	6.449	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	20347862	HLUBTLOFFIRDAG-VWLOTQADSA-N	502.571	5.434	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(NC(C)=O)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	29747690	HDEDVXRQIJVMEO-MHZLTWQESA-N	587.101	6.067	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	59484057	GXPMEGDCWQEBSK-XKZIYDEJSA-N	505.412	6.589	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	59856663	LRYNZPGIFJUAEK-RWPZCVJISA-N	528.417	5.198	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCCOc1ccc(C)cc1	97959028	SWKQSMUNCBSYNS-HYARGMPZSA-N	538.438	6.695	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cccc12)c1cccc(NC(=O)C(F)(F)F)c1	97965752	RCYZSNJZEDOUQJ-MJXLXAJKSA-N	524.930	6.518	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C\c1c(Br)cc(Br)c(O)c1Br	97972323	DCFWDJZTAXYAPV-OPVMPGTRSA-N	556.052	5.395	50	40	KKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(c2nc3ccccc3s2)=C(c2ccccc2)N1	97984532	GSVNDDAKZOUNSG-PMERELPUSA-N	605.188	8.621	50	40	KKGB	
Cc1ccc(CSc2nnc(N3C(N)=C(C#N)[C@@H](c4ccc(Cl)cc4Cl)C4=C3CCCC4=O)s2)cc1	98006216	XTVGFGHKRMJIAC-JOCHJYFZSA-N	554.528	6.750	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccccc1F)c1ccccc12	98008180	WFTZPYHOEHJFIR-UMSFTDKQSA-N	558.588	6.471	50	40	KKGB	
CCCCCCCCCC(=O)Oc1ccccc1N1C(=O)[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C1=O	98050465	MDPZZBPTEDDDCX-INDMIFKZSA-N	557.323	6.159	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1	100062883	QEXCWYWJYYFUQV-DICXZTSXSA-N	546.259	5.882	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)cc1C	100124735	WBBJDQYQIIEHQY-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1Cl	100232794	WVNHSFLRVGQPID-MTJSOVHGSA-N	539.857	7.243	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332282	CHCRTIFSJDJVGM-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
N#C/C(C(=O)Nc1cccc(Cl)c1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	100889034	JBJMIZBJOBUGMB-AEPTXUNZSA-N	528.848	6.712	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)OC(N)=C(C#N)[C@@H]1c1ccccc1F	100986179	OKXCWOSRQGEGSN-VWLOTQADSA-N	553.615	6.565	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	100991357	UJRQDKYJSGAQHE-GFPZRUSRSA-N	542.875	7.020	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1	102571657	RXYVYSACHBNDFE-RUZDIDTESA-N	520.098	7.488	50	40	KKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2n1Cc1ccc(Cl)cc1Cl	112258208	ICRKKTDIGOPLMW-XDHOZWIPSA-N	545.495	7.662	50	40	KKGB	
FC(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341881	NLMCTJLWRIPRTP-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)Cc2ccccc2)cc1OC	150474576	PDQSGPCJUYWZOI-CAQPMQTCSA-N	639.572	5.215	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	164820150	QIZWZTIUHSVOHE-JEPNHJGPSA-N	634.541	7.421	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	207150622	OFKQMTCFNNWRKA-LICLKQGHSA-N	535.747	7.246	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(Br)cc1	408543157	PSNYJLWUJMLIJO-JAIQZWGSSA-N	604.238	6.794	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550418	DROSBQLKERJLMU-AEVGBRMKSA-N	674.610	8.349	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(N2CCCC2)cc1	408675823	BLIZZDZGFVJZGY-WKULSOCRSA-N	547.280	6.699	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408677546	ROLJNDPKLSFGDU-FMFFXOCNSA-N	528.052	6.835	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408724471	DZLHIRFTSJRYJJ-PXNMLYILSA-N	595.220	6.437	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1OCc1cccc2ccccc12	408725760	JSIIMGXLMYFYRZ-XAZZYMPDSA-N	562.420	5.481	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2-c2ccccc2)cc1	408740790	MLQXQCDFIJBAHM-IHELAITMSA-N	606.726	8.159	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	408744978	OHUDYSAUAUSOAO-XKZIYDEJSA-N	531.837	7.689	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1	408756261	QXILMNSFUJXAJH-JVWAILMASA-N	533.656	5.460	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408763052	QZNVBCZPQFVAKE-WOJGMQOQSA-N	575.868	6.123	50	40	KKGB	
CC1=CC(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1	408784171	TXPLJXJMEXLNSH-UOZQHNDTSA-N	515.657	6.424	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408789237	HSSGFHYNIJNYSY-CAOOACKPSA-N	639.127	7.430	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I	408792265	ACDWSXQAUQRXLQ-WUXMJOGZSA-N	531.575	5.651	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(I)cc1	408793693	GDBYOEDXHJFYEN-CIAFOILYSA-N	586.857	7.085	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(Cl)cc1Cl	408795179	LLXDILHINIEFDK-LZYBPNLTSA-N	566.666	7.543	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408798968	XLSQYRZSGZXSGV-UDWIEESQSA-N	598.393	5.521	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)c1Cl	408807610	CYBQOWHEKZFPEH-JQIJEIRASA-N	526.420	7.350	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408815358	HLIXHUURHYCLCM-JWGURIENSA-N	599.554	7.595	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1c(C)ccc2ccccc12	408816501	UXBCDBHDGRIDBC-MFKUBSTISA-N	525.048	7.942	50	40	KKGB	
CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408821858	KXIOXLZHFVTUQA-HAVVHWLPSA-N	541.445	7.514	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408825832	ARNWOMYZTNUAAN-JEPNHJGPSA-N	643.980	6.943	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408829247	OTCUXUOACUBPME-FDALDRLYSA-N	617.649	6.783	50	40	KKGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	408831740	VFKFYQOSFJYYNT-MLPAPPSSSA-N	551.308	5.406	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1	408837731	MKHGXSVQFINICA-UZWMFBFFSA-N	562.091	5.827	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408837777	NJDMQFZBFIBROJ-FJEPWZHXSA-N	622.969	5.730	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OC	408840924	GMINLGCLGVXTNP-LUOAPIJWSA-N	604.392	5.610	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408841666	GMBWDAUYMVFRAW-XJECJHNESA-N	644.561	8.658	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OC	408844125	OPBPORKOXPYJGG-IPPBACCNSA-N	632.911	6.983	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408849404	YHPUOKUTLLXSCJ-XJECJHNESA-N	707.006	8.619	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc([N+](=O)[O-])c1	408852685	HPVKAUDVQSWJSU-VYYCAZPPSA-N	538.354	5.845	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408858612	UMNZETYNIUWWSG-CAQPMQTCSA-N	590.474	5.930	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1F	408859417	XDBDWWLEDHLMNJ-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408864086	SQGMSKATDLKMDI-VVEOGCPPSA-N	643.387	5.877	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OC(=O)c1cccc2ccccc12	408879494	DTMLRBKSTOZRBN-HMMYKYKNSA-N	574.374	6.218	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccc(F)cc1	408880313	JGMFSMABQQYAQW-VCHYOVAHSA-N	529.793	6.683	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c([N+](=O)[O-])c1	408880711	KNLKXHAHVJMFBL-LZYBPNLTSA-N	715.669	6.591	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408888704	ZIQKCCDFMFERBX-LZYBPNLTSA-N	612.349	6.219	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccccc1Cl	408891211	MYRZDXBDUONRKC-XODNFHPESA-N	574.884	6.464	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1cc(C)cc(C)c1	408892242	YEELWHKKUMUBGG-ZMOGYAJESA-N	580.466	7.048	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OCc1ccccc1C	408922194	DXFBCFVCAUCGGQ-CIAFOILYSA-N	586.857	7.085	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)c(OC)c1	408957988	WTTZTVSXGHQVGC-WLCOTJRJSA-N	691.568	6.454	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1C#N	408961125	AGDFCPYMMCTZNT-XAZZYMPDSA-N	593.343	5.923	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cccc(C(F)(F)F)c1	408965572	VZNYPXJWBZJMIV-HIWRWHBISA-N	606.236	7.727	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408970694	CBDBCEQYHLOZSM-BSGWMZRRSA-N	795.329	8.331	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc2n1Cc1ccccc1C#N	409014451	PVCYVFAAGMRRAQ-XAZZYMPDSA-N	637.275	6.747	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccccc1	409039198	BXBIMUMWYWPVJP-GZTJUZNOSA-N	587.801	5.516	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1	409119682	PYWPCCHXVSVVJU-AQLQTECXSA-N	587.967	6.404	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409153881	IUAKKVOMIZEQLM-WKULSOCRSA-N	563.279	6.594	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409213626	QBCJAMUZESYIPF-WQRHYEAKSA-N	561.173	6.605	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409218019	CDBZVJJOSISPAW-FYJGNVAPSA-N	595.437	5.870	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	409219259	OWATVEYJSHBCOQ-XMHGGMMESA-N	505.958	5.310	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3cccc(C(F)(F)F)c3)cc2)c1	409222399	CQNZWUAKYWXLAV-DLCNMLRHSA-N	590.514	6.157	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1	409225750	OOGUARSRQXHKBN-UHFFFAOYSA-N	720.201	7.762	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409226010	RFBYUBMHNCJHMX-FTAAKWODSA-N	608.607	5.637	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1ccccc1	409247636	DZAAEVZXWNVXPT-ILRHRSLTSA-N	501.413	7.510	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409255325	HGSZGYPOAQCVAI-RODHXAHZSA-N	705.034	8.068	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409256294	NERBQBKAKYWASB-OCSSWDANSA-N	609.420	6.023	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409267288	UKJAQYFOJWFLGY-YSYOEVFLSA-N	766.061	8.219	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409310655	BZILXKQIGKWHFO-MBTHVWNTSA-N	662.393	5.636	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409322079	WGCSAMZSFCMPPZ-FDVSRXAVSA-N	559.844	6.027	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Br)cc1	409356557	HMLGWMCFVXUXCE-OPEKNORGSA-N	612.072	6.225	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409361209	AVJDQIQBBHALIN-PPDIBHTLSA-N	579.220	5.141	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	409361240	BMCFVAFOZNDKRQ-LFIBNONCSA-N	528.765	5.805	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccccc2)cc1	409368251	QGFUYHFQNAVMSK-CAQPMQTCSA-N	626.960	6.023	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1C#N	409371742	MDBGZPCTMDVXEZ-FBHDLOMBSA-N	504.340	6.271	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	409373621	RKYFJMDUXRIECN-MXAYSNPKSA-N	502.752	5.283	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OCC	409387250	VJTMPDGWBHEVEU-FSJBWODESA-N	504.362	5.299	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	409389776	ABXIICZQOPVING-FJEPWZHXSA-N	661.281	6.190	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)[nH]c12	409394795	FXVUTIZNXVAKKQ-UHFFFAOYSA-N	631.324	7.651	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)cc1OCC	409394858	GUKRSLSKHLFUCO-UHFFFAOYSA-N	831.299	8.745	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccccc1	409395030	IZONJIXVOQWDGE-UHFFFAOYSA-N	743.193	7.948	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)cc1OCC	409396304	XOFSUXMRVGPVNU-UHFFFAOYSA-N	729.842	9.338	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397474	KFRBXXDPMNNGKA-UHFFFAOYSA-N	627.311	8.440	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)c(-c3ccccc3)c2c1	409398123	QUJMEKBRXWEGLJ-UHFFFAOYSA-N	523.545	5.818	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(C)=O	409398511	UCOFSLWLMRTRIP-UHFFFAOYSA-N	547.567	5.752	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1O[C@@H](C)C(=O)OC	409402265	JMXYUZOBTZOIAA-UNBWNHLBSA-N	717.411	6.894	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1	409404931	RJYGXMDFIOUYMR-APTWKGOFSA-N	564.598	6.517	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	1529549456	ZOCFTCCJOXIMFT-JYALLGCPSA-N	672.001	5.567	50	40	KKGB	
O=C(CCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)COCC(=O)OCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12	2060993674	IUCJKAFPIXIZLF-UHFFFAOYSA-N	690.662	5.750	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C/c3ccc(OCc4ccccc4)cc3)c2=O)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)cc1	2594718	FDEIFTLCDWDBER-AJXYAIDJSA-N	594.696	5.019	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCc1ccccc1	2672731	IBTKZQMUGRFDPC-ZXVVBBHZSA-N	545.042	6.995	50	40	KKGB	
C=CCN1C(c2ccc(Br)cc2)=CS/C1=C(/C#N)c1nnc(N2CCOCC2)n1-c1ccccc1	3190785	RPPDOGWFJZOEQX-LVWGJNHUSA-N	547.482	5.292	50	40	KKGB	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	4174425	YLBUNEVLWJEHOD-IAQLINMISA-N	569.334	5.731	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccccc1	4196431	CPVDBRTXRXFBGI-ZCTHSVRISA-N	545.433	5.423	50	40	KKGB	
O=C(N[C@H](O)C(Cl)(Cl)Cl)O[C@H](c1ccc(Cl)cc1Cl)P(=O)(OCCCl)OCCCl	8386631	FXXZPJHMJNRCPS-NWDGAFQWSA-N	572.420	6.111	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1	9427557	PNPRASLSLYBLTC-TWKHWXDSSA-N	529.666	5.754	50	40	KKGB	
CC(C)(C)c1ccc(/C(CCC(=O)O)=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	25422736	PSIZBFLCXDCFDL-QCWLDUFUSA-N	509.071	6.929	50	40	KKGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)S(C)(=O)=O)cc1	59884104	NZYBDEXWLGFLIK-PJLCQNFYSA-N	574.099	5.021	50	40	KKGB	
COc1ccc(-c2nn(Cc3c(Cl)cccc3Cl)cc2/C=N/NC(=O)c2cc(O)cc(O)c2)cc1OC	97965880	DFDWSPKRFRWEID-XKJRVUDJSA-N	541.391	5.098	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048730	QAHLTLRKAYWTFD-MHZLTWQESA-N	526.618	5.107	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1)S(=O)(=O)c1ccccc1	100104503	XCUYNMSPSLWXDZ-VTNSRFBWSA-N	586.928	7.115	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125318	SJABEEAVHNDSRG-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)cc2)cc1	100141952	GZGHVUIRVHTKBK-MWBNBJEGSA-N	616.061	6.592	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1	100220733	STQRIYHFUFRAQP-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	100351212	CZBFJSIXXONFEI-HPNXWYHWSA-N	627.166	6.916	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C#N	100544492	DRKGEOMZEFFTQO-OXUBWTJQSA-N	552.212	5.267	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(C)cc1	103890627	BDUBIJDZXTYGNT-ODLFYWEKSA-N	560.275	7.588	50	40	KKGB	
Cc1ccc(N[C@H](c2cc(Br)ccc2O)P(=O)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	104168731	WRBAKNLILATWPU-SANMLTNESA-N	537.350	6.496	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	105576012	XSIDHSXSEQEWJB-ORBVJSQLSA-N	595.675	5.735	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)[C@@H](c3ccc(Br)cc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)[C@H]2c1ccc(Br)cc1	150410763	FVPZZKMLJFRKIA-LOYHVIPDSA-N	776.620	9.424	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)c(C#N)c1C	150607524	RVERGSWQHQCOJB-DJKKODMXSA-N	644.462	6.155	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	162500853	UXIWMKMMNSYOEL-SAEPALGJSA-N	663.505	7.000	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCc1ccccc1Cl	216044838	XDLLLOUVAYHGBU-FDVSRXAVSA-N	576.862	6.232	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	216045102	JKSUAKKDWJKVTI-MBTHVWNTSA-N	587.414	5.487	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408534545	VYGBAWCHYTWLQA-XKJRVUDJSA-N	598.268	6.056	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br	408538190	KAQJBZIOWJQVGJ-ZHZULCJRSA-N	548.319	7.805	50	40	KKGB	
COc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)ccc1OCc1ccccc1	408538406	MIPNURKVVTYHQY-FZKWRIDDSA-N	563.679	7.049	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408599299	SEBMTVIYSOAZIL-AMVVHIIESA-N	513.808	7.152	50	40	KKGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408608143	GOAAQSJZIZCMRC-XKJRVUDJSA-N	525.219	5.646	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408645196	HSZAUWXEWJRGHF-LGJOHJSGSA-N	766.226	6.712	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1C	408650656	MOTKSGAKQPMETB-ONOFXPIZSA-N	657.186	5.628	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1)NNC(=O)c1ccc(Cl)cc1	408665949	MVXGYNBGGXANRA-UHFFFAOYSA-N	560.006	5.399	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)Cn1cnc2ccccc21	408691574	FQZKGPRZGLMDBI-NVMNQCDNSA-N	696.124	7.194	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408745530	NKUDSDVQUUULTF-SXGWCWSVSA-N	611.636	6.971	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(I)c2)cc1	408747103	ZNVKGKJGACCHMT-UYRXBGFRSA-N	510.331	5.424	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408761158	BWUPLJLQNPQQIB-ZDLGFXPLSA-N	601.251	6.643	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(F)cc1	408789373	PIVJTBSGYSALLE-VCHYOVAHSA-N	540.345	6.020	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1C	408792299	ANYPVRZMCQKGKW-RGVLZGJSSA-N	587.255	6.795	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408794039	REUHNZTZWMTGQD-FRKPEAEDSA-N	672.100	7.183	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1C#N	408816519	LROKXHVSUQZGGD-QFEZKATASA-N	542.433	5.860	50	40	KKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408818526	XDDGIDYIKHLGFF-QPOZXBEKSA-N	532.276	6.392	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408823106	CNXTUVYQPILYAG-HZHRSRAPSA-N	591.864	7.945	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408834555	VJDASNBBDRLUED-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1cccc(C)c1	408846122	QRLRXBSWWFJVFU-FABQOPTDSA-N	583.113	7.867	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)Cc1ccccc1	408849377	YBKHQQIUAQFBOZ-STKMKYKTSA-N	535.600	5.179	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	408851236	WQBACYDCEIMTKI-OJYCWLPVSA-N	598.928	8.212	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408851303	XMIBLCBBRALCMV-ZRGSRPPYSA-N	620.197	6.051	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1	408854730	APENVQCXADITOC-WKIKZPBSSA-N	513.775	6.200	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OC	408857492	OQEXSBAEDOJHAZ-DXJNIWACSA-N	528.450	6.716	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(Cl)cc1	408857901	PSPUNSJIZHFSKP-OKCVXOCRSA-N	537.841	6.997	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)cc2)cc1	408863625	PUDZVZYTSJJSGX-QXUDOOCXSA-N	598.725	5.359	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)c3ccccc32)c1	408864415	ZYVLLEIQBCCGJF-HIWRWHBISA-N	594.524	6.818	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1	408864465	WANHXNGMZVYSQI-BIZUNTBRSA-N	591.089	5.088	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc2)cc1	408864730	YSTMJMBHQDKWAK-MUFRIFMGSA-N	558.443	5.608	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1Cc1ccccc1F	408872754	IEPWBSRSTHXSAB-PCLIKHOPSA-N	632.473	7.544	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1Cc1ccccc1F	408877939	YMRQRYRZJDFHNN-RQZCQDPDSA-N	533.319	6.752	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2ccc(C)c(C)c2)cc1	408878842	CHORAZUEBVBPCY-UBJCUSJWSA-N	612.752	5.214	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br	408879826	HJCNQLKGJAERQJ-ONNFQVAWSA-N	515.545	5.327	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	408881524	NSRPBRINJMBSIF-OVCLIPMQSA-N	546.750	6.328	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1Cc1cc(C)cc(C)c1	408882027	MWALYKKUWWXMLY-DJKKODMXSA-N	591.276	7.360	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408884261	WLUONHUZMQNAQC-VZUCSPMQSA-N	507.673	6.269	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)c([N+](=O)[O-])c1	408886864	MSLDTQOEANTWSS-CIAFOILYSA-N	543.963	6.543	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408887311	NNQLPTWHUCGSKB-RQZCQDPDSA-N	595.118	7.952	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1F	408889144	FBBDVZSKEFBHTL-GIDUJCDVSA-N	595.208	6.936	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl	408907786	RRZKHTMOGKJYGQ-XKJRVUDJSA-N	564.800	6.011	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408926313	WZWCPBJNAGDRPY-XZYGTATASA-N	702.668	6.567	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1	408969784	UNLAOPFHUNGLIY-KVBGEWAISA-N	610.549	5.714	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408973236	XRVGPPPOPVXNDJ-SXMPYHCESA-N	522.045	5.287	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(C)n1-c1cccc(Cl)c1	408977040	CJAWSHKFFFZZHK-QUCVJYLXSA-N	525.049	5.308	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408979593	NBZNRURYAPVBCW-ICSRMJQJSA-N	506.389	6.265	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cccc(C(F)(F)F)c1	408992714	BFJBZQOZBKFNFR-UNOMPAQXSA-N	505.277	6.953	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408998671	RUAKIKBBUGRTRW-DPNNOFEESA-N	620.887	6.737	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409022007	HRBJNCIVNDWYIV-MNDYBZJGSA-N	579.407	5.412	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1cccc(Cl)c1	409035288	RXPLPEVJWSAKCW-HNSNBQBZSA-N	522.004	6.907	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409039754	DHMVYDVIVXHSNJ-VCHYOVAHSA-N	601.828	5.825	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409073849	NTQCCLMPMGDRPW-LFIBNONCSA-N	519.760	5.843	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409075786	XZEWTBLBQBBHFZ-XNTDXEJSSA-N	612.804	5.406	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409075948	ZFJYAZPUDYJPPS-LFIBNONCSA-N	533.389	5.411	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409113702	GBGFOKVMLVBMED-BIZUNTBRSA-N	576.074	5.522	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1cccc(Oc2ccccc2)c1	409114689	ICGJWYYFUYAUGQ-FDAWAROLSA-N	568.482	6.127	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	409135500	ROCFEYOFTUSEFT-HXUWFJFHSA-N	548.206	5.744	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)cc1	409150214	ASXNDYWENPOCRU-WCMJOSRZSA-N	587.460	5.287	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1	409159339	SYVCRBCBEBQDED-OKCVXOCRSA-N	557.434	5.279	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409168219	LMIAPSDRQGCPCS-JJKQSNDFSA-N	597.377	5.517	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc([N+](=O)[O-])cc1	409199469	CYOYMCLVRYTZGA-APSNUPSMSA-N	677.063	7.754	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Br)cc1	409202498	RGYPAKYOHFCDHQ-ODLFYWEKSA-N	513.775	7.053	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	409219273	KSKKJEAXJLBABT-ZSFSDMFMSA-N	756.791	7.417	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cccc2[N+](=O)[O-])cc1	409220361	XWNZXULOROLSIZ-LVKQWWEQSA-N	598.999	5.892	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409224181	JQAIYUCGGHQBHS-MRRNBRRISA-N	656.091	6.308	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409224753	LPZLIZDPZRGTQN-FDVSRXAVSA-N	522.344	5.822	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1	409226896	XTADGDPKOCCZJI-YBFXNURJSA-N	627.289	5.870	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1	409248036	JPOVEWJTNMTYKA-FPJJECCMSA-N	539.857	6.865	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1	409258923	WCDVJCLXFJALHZ-GLYGWYKASA-N	512.393	5.084	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2C)cc1	409263565	HSRWUXKXCMNBAB-JAIQZWGSSA-N	641.316	6.178	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409264710	PNVSQJZJCDHHNO-BKUYFWCQSA-N	548.437	6.028	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)ccc1OCc1ccccc1	409315880	WKWXTANLAYKCKT-OHUYPAJKSA-N	593.905	7.423	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	409318341	VSRJQYHEJBMAOL-CAQPMQTCSA-N	622.459	6.369	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372148	SLZLGVVQILAASZ-JJFYIABZSA-N	564.233	7.916	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCC(=O)Nc1ccccc1	409373511	PXRDKRGMHGTTHZ-OKCVXOCRSA-N	562.420	5.401	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	409375493	LOOKOVVQNYWKOY-GZTJUZNOSA-N	574.353	6.040	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(Br)c2)ccc1OCc1ccccc1	409382874	WUTDWKQQDOAHPI-FZKWRIDDSA-N	632.511	6.217	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3F)c(OCC)c2)cc1	409383511	ZFPPVDVDCLVKEH-HMMYKYKNSA-N	503.530	5.186	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(Cl)ccc3OC)[nH]c12	409394794	FXLXCWUPMCQRIS-UHFFFAOYSA-N	665.371	8.458	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395326	MHJHZYJGGRUNHY-UHFFFAOYSA-N	691.332	7.080	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)cc1	409396027	VMNVDOXWNUXDSW-UHFFFAOYSA-N	760.664	8.768	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397234	HQYVXSWAVJZJBV-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409397939	PQWAXYVADFAGTD-UHFFFAOYSA-N	568.427	6.589	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C(F)(F)F)c4)c(OC)c3)[nH]c12	409399296	ZCKHJEAUMRURTB-UHFFFAOYSA-N	620.027	8.061	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(OCC)c1	409410596	YEHNVALNIKIWPB-YKQZZPSBSA-N	501.583	5.827	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C	1529546160	DBUHUFYEFQJQDX-HYCVJYALSA-N	698.827	6.039	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1	1529546378	FTSGGXLNZUUERI-AHKFIOAWSA-N	722.061	6.720	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl	1529546799	HRGVXIFWUNFWCF-LAXCASJBSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(F)cc3)cc2)sc2c1CC[C@@H](C)C2	1785638	QCHLFPQGOZQWGV-RZQDWPBMSA-N	551.640	5.359	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCCOc2ccc(C(C)(C)C)cc2)c(OCC)c1	2308462	KLZYSWQNXIPWLB-XMHGGMMESA-N	516.432	6.073	50	40	KKGB	
COc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	2946145	DSFNNDDGKWXLRB-UVHMKAGCSA-N	533.806	5.228	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@H]2c1ccc(Cl)cc1	3663503	HAFCBMLMNYJCNJ-OAQYLSRUSA-N	506.355	6.953	50	40	KKGB	
COc1ccc(OCc2cccc(Br)c2)c(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)c1	3664059	VVHXDFGDGUNBFJ-WKULSOCRSA-N	525.443	5.998	50	40	KKGB	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	8456305	WISBUVKUQSLBOF-CCVNUDIWSA-N	583.236	6.158	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(F)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9031517	LZXKXNHWQJCTCK-OCSSWDANSA-N	517.630	5.622	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(=O)OC(C)(C)C)=C(C)N2)cc1	19939548	DTGILNAZVBQBEI-RUZDIDTESA-N	524.086	6.312	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	20214618	IENYQJKRIBAFSW-AFUMVMLFSA-N	508.452	5.061	50	40	KKGB	
c1ccc([P+](Cc2ccc3c(c2)OCCOCCOCCOCCO3)(c2ccccc2)c2ccccc2)cc1	95682025	FUDPAAHWXNBHTK-UHFFFAOYSA-N	543.620	5.002	50	40	KKGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	97945998	XIDBNPKMVCXSTR-WKULSOCRSA-N	580.262	6.050	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CCC3)cc1COc1ccc(Cl)cc1Cl	97959815	REFCLWXXGCWFAC-MUUNZHRXSA-N	591.451	6.794	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CC(C)(C)C2	98007240	NIGBJKMTIJAWEQ-QHCPKHFHSA-N	545.738	5.782	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc1	100025583	WJOOHWAGBDIACM-VKIJTMRCSA-N	550.590	5.032	50	40	KKGB	
Cc1ccccc1CN1c2ccccc2C2=C([C@@H](c3ccc(Br)cc3)C(C#N)=C(N)O2)S1(=O)=O	100032600	AZIWJSSWADCSTN-QHCPKHFHSA-N	534.435	5.284	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1Cl	100119199	YZXDOYCZFOFLNR-KPGMTVGESA-N	603.959	6.784	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1Cl	100128204	KNDPRUOEJMJMST-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	100366373	KWPBBBNVYRQIDY-FJEPWZHXSA-N	587.485	5.213	50	40	KKGB	
O=c1c2c3c(sc2[n+]2c(n1-c1ccccc1)CC[C@H](I)[C@@H]2c1ccccc1)CCCC3	101365980	UUKZGBARWOSNLT-RDPSFJRHSA-N	539.462	5.558	50	40	KKGB	
C(=C(\N=C(\c1ccccc1)N1CCOCC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1	102300824	SYLVMIYJIQAHIC-UDVBAEILSA-N	553.666	6.758	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	102808528	DAGJNZINZYAKEN-XMMPIXPASA-N	567.440	5.888	50	40	KKGB	
CC(C)OC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	102809323	FIVGSUDPCSZUGY-SXOMAYOGSA-N	576.074	6.021	50	40	KKGB	
O=C(N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	102982559	DITRLUBKNBYJPL-SFJGOQPCSA-N	532.021	5.799	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2I)cc(I)c1OCC	103003947	PIVJMIMCWLZEJF-NTEUORMPSA-N	588.183	5.239	50	40	KKGB	
COc1cc(-c2nnc(SCC(=O)N/N=C\c3c4ccccc4cc4ccccc34)n2-c2ccccc2)cc(OC)c1OC	103442091	ULZXOJOIYLUIOP-OJYCWLPVSA-N	603.704	6.509	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1	103754410	QSWBBXSFIDGMJJ-HWLOXFRGSA-N	593.712	7.602	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(Sc3nnc(Cc4cccc5ccccc45)n3-c3ccccc3)o2)cc1	103754435	PPQKWHRVQNKDCG-QNKGDIEWSA-N	559.651	6.528	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Br)cc1	103755046	REXFIIWWPWSEPS-JAIQZWGSSA-N	570.281	6.962	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cccs1	103857836	KQUHBCKEIKLFPB-AUEPDCJTSA-N	606.198	5.439	50	40	KKGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	104225844	MVUPDJCPQYKZLY-LQNQUEJISA-N	581.308	7.140	50	40	KKGB	
O=C(N[C@@H](c1nnc(Nc2ccccc2)s1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104478886	FLAUTOULSDJBEN-JGCGQSQUSA-O	571.666	6.704	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1	105583401	DWTRUYMQKPRCGF-LGJNPRDNSA-N	526.829	5.001	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)SCCS1	106548768	OVRHVBKHPCBMBN-ZMOGYAJESA-N	535.476	5.331	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C\c1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118916520	NSYXTAJIOOWVSE-NNUDTLKESA-N	533.757	6.025	50	40	KKGB	
CC(C)C[C@@H]1N=C(NN=C(CCl)CCl)O[P@]1(=O)NCCCCCCN[P@]1(=O)OC(NN=C(CCl)CCl)=N[C@H]1CC(C)C	150420332	FYIAEBHMNQKKSA-PVPWHSAZSA-N	712.428	6.475	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)N4CCCCC4)cc3)c(OC)c2)cc1	408542407	LLMWVZBSDNMWTR-DIBXZPPDSA-N	523.633	6.008	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(I)cc1	408608855	WZWMHSPBKILPAZ-DEDYPNTBSA-N	592.437	6.265	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408646938	JCVZBPDEXMPRRR-XBTCUYDUSA-N	643.159	5.400	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2Br)c1	408676750	NBVCEFOVYMKSQP-MUFRIFMGSA-N	571.313	6.463	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	408686447	SMSDMBVMBXAYDH-VTAJJLHNSA-N	586.202	5.240	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C\c1cocc1-c1ccc(Cl)c([N+](=O)[O-])c1	408736604	DPTDWRXNEIYNPQ-LWBMBWMASA-N	559.022	5.931	50	40	KKGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	408736854	JHZULPYCWOYJHO-CSPQHYJGSA-N	562.670	6.344	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408745008	ORAXUHAZWLETNJ-WQRHYEAKSA-N	648.251	6.485	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1	408745418	RYIHOFWVTJZXRZ-WQRHYEAKSA-N	574.244	6.874	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1	408746003	WLRATGMGFRSVTK-PTNGSMBKSA-N	509.272	5.603	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408747606	QGJAIVBIFLEMBT-OCSSWDANSA-N	668.400	5.295	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408760128	SDGAQEMZCOJQJG-KKMKTNMSSA-N	551.224	5.546	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408765132	ZPJMUWJABKQTSV-ZHZULCJRSA-N	605.392	6.340	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408778949	ZYQOLTANQSEVHI-YVLHZVERSA-N	573.318	5.472	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1	408789316	IXFZPVGQBHHCND-GIDUJCDVSA-N	662.536	8.139	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I	408789836	RXHWDJNZYXHJMV-VGOFMYFVSA-N	511.157	5.225	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(OCC)c2)cc1	408790149	UGGITVCSFUCGFS-PXLXIMEGSA-N	596.421	5.991	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Br	408791703	BCUBHXVZEKUVMM-LZYBPNLTSA-N	536.220	5.316	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1	408792269	ADHFABIATMPHRI-XDHOZWIPSA-N	664.237	5.807	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1	408793557	FSWGNDDXKRKGRF-UDWIEESQSA-N	536.382	6.053	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408794738	SQMCKJSGSWKSMY-VCHYOVAHSA-N	607.673	7.140	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408796439	OETCATZYJMSKMF-RQZCQDPDSA-N	672.144	7.884	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1	408799344	YQEKOCQRMNEZIH-KEBDBYFISA-N	551.238	6.516	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccccc1F	408813929	FCXYOXDDKRUHCE-PXNMLYILSA-N	575.188	6.384	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)cc2)cc1	408823370	FFIIROOVOJKBTM-PCLIKHOPSA-N	598.453	7.369	50	40	KKGB	
CCOc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841997	HQEHJJHGFKLQGD-VFLNYLIXSA-N	545.879	7.677	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408843742	MYTGIMCWLXSDFL-SAEPALGJSA-N	623.565	9.357	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(F)c1	408853033	PFXLKWSVGCZULQ-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)cc1	408859493	XISKITWUVTVPGV-WBIBEUCMSA-N	616.918	8.351	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)o2)cc1	408860007	QOYGOZDZQAQADZ-FDAWAROLSA-N	580.062	5.431	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	408862400	HERYPKWXSKVMIJ-OKCVXOCRSA-N	620.953	5.638	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	408864392	UYFNGQIOTIASNI-NQDWYVKHSA-N	571.702	6.957	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1	408865057	ALEGNXWKTXKAHE-FDAWAROLSA-N	593.061	5.481	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1Cc1ccccc1F	408871505	ZDCYIDJVSPTGKK-FYJGNVAPSA-N	554.403	6.528	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(F)cc1	408876238	KFUOEHXLXKWTTE-VCHYOVAHSA-N	518.894	7.021	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408879861	FUPBYVFWYXGMEY-VIZOYTHASA-N	688.283	6.137	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Cl)cc1Cl	408948509	PGEMMSLVKGBHHL-HKBQPEDESA-N	697.641	6.195	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21	408970438	HTUJXMXALUVQDF-XXKGPSAHSA-N	589.520	5.268	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408974124	XMIDYPDUFMHPLG-DMAPFLRVSA-N	685.446	7.937	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c2ccccc2)cc1	408980672	SCTKYBDJTDTSOO-BUSZIJHZSA-N	567.023	5.377	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1Cl	408983873	NVJXXRNIKATCOI-FMQZQXMHSA-N	698.682	6.711	50	40	KKGB	
COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993421	CSCGLGYSAMBKTI-ISTKXOAZSA-N	676.196	7.314	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1Cl	408997314	MQNFCGNOXIPGAF-VTNSRFBWSA-N	512.396	7.316	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12	409004841	FHLQSFHASOKIFD-AMVVHIIESA-N	576.889	5.847	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCc1cccc2ccccc12	409010916	DQQKLJIUBSHMLX-HIWRWHBISA-N	734.182	8.067	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(F)cc1)c1cc2cc(Cl)ccc2o1	409018459	VWSMZOFNUCJBID-PPDIBHTLSA-N	501.739	6.331	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	409044279	VFGPGEBIIGQKRE-RQZCQDPDSA-N	532.163	6.902	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccc(Cl)cc4Cl)(c4ccccc43)[C@@H]2C1=O	409048272	NXWUIZGCTSVGLI-QXKSOOLNSA-N	641.467	5.877	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(Br)c2)c(Br)cc1OCc1ccccc1F	409079930	CKIGJDJTXWSHCI-ZRGSRPPYSA-N	536.195	5.702	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409141111	HMJNSODKJWSQSO-RUZDIDTESA-N	570.915	6.064	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409180005	SXZJHKWYVJDSAF-KKMKTNMSSA-N	643.117	5.957	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	409236368	FKCRCHGXFOJOIT-HAHDFKILSA-N	533.525	7.377	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)c(C)c1	409248871	HMVDDZNYRAPJMW-NVJOKUIPSA-N	504.801	6.045	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409252834	UEDDYHLBXRIBBZ-WSDLNYQXSA-N	595.437	5.158	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)cc1C	409256233	KUJVMZIYUGQJMU-XDHOZWIPSA-N	522.374	5.768	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409260038	JQZWVKNROXSNJH-VHFSBPNMSA-N	731.616	7.565	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)ccc4OCC(=O)Nc4cc(C)ccc4C)cc3)cs2)cc1	409262137	FKLXMGPOBUEOSA-VHFSBPNMSA-N	624.166	7.914	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3CC)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409323684	PDCNWWDRDKQPLF-FCHUYYIVSA-N	655.398	6.135	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC	409325776	AXWOPIVEMLLBKL-CPDSRJINSA-N	551.905	6.621	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1	409372033	DOGXPHNHVPXDAT-AMVVHIIESA-N	586.255	6.855	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2Br)cc1	409384662	FDRBFFMCFJROLY-UVHMKAGCSA-N	567.421	5.662	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387476	WSFMQWJMNCITKF-KBKYJPHKSA-N	545.360	6.367	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409397589	LNYBPGVXIGOAED-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409398129	QWYHQPHHZXESCT-UHFFFAOYSA-N	653.860	7.068	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409398428	SXYOZRYZMRXERQ-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc34)o2)cc1	409405428	UACFFPIEQQWCTB-GLJXUZQSSA-N	604.106	8.416	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Cl)cc1Cl	409406880	XVLMMXCQRRRFHS-UHFFFAOYSA-N	652.962	8.578	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)c(OCc2ccc(C(=O)OCC)cc2)c(OCC)c1	1529548375	DYDHBARYSCQDED-OPKXNULSSA-N	709.221	5.379	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(OCC)c1	1529548539	INZQZAXDMIBWLU-RNMNIPMUSA-N	716.054	5.965	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)cc1	1278792	RKGDMEULJVIFTK-HKBQPEDESA-N	578.694	6.865	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1	2310200	OJYNXWQQHRXJEQ-HSZRJFAPSA-N	531.987	6.468	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1Cl	2807626	PZGBSYFACOIEQU-XODNFHPESA-N	546.501	6.823	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CC(C)(C)C3)cc1	3669706	MCJQFZUEIVKIAX-XMMPIXPASA-N	512.679	6.117	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc3ccccc13)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136368	JNMUAUICUSPDBY-FMRGWPDSSA-N	562.047	7.703	50	40	KKGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1	9345441	YUFVKIYZIMMJAV-JJIBRWJFSA-N	513.619	5.740	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	12250867	YXKQHPVLWWIQQI-NDEPHWFRSA-N	526.637	5.518	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	14361451	HLAMYPODVHXWJG-OAISXNBJSA-N	515.532	5.333	50	40	KKGB	
CCCCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	33355302	UVONIVQZBVBQJC-LJAQVGFWSA-N	572.756	6.942	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	58916537	QFNHUCZEZWJGAN-VFCFBJKWSA-N	514.047	5.059	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1	97958000	LHTRZCTUFSVHRW-CQFWSYKGSA-N	578.798	6.776	50	40	KKGB	
O=C(N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	97964210	QKYZDQOIBOIHAA-YIGABXNDSA-N	583.604	6.611	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c2cc(Cl)ccc2OC)cc1OC	97971185	GNIWVOZXBRXZMU-YLYVUXRMSA-N	801.927	7.368	50	40	KKGB	
O=P(Cc1ccccc1COc1ccccc1P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	98045900	PEYLWLAVJUCCNC-UHFFFAOYSA-N	598.619	7.419	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1C	100118426	KTXAKGAABKAPPV-GOJREDGKSA-N	590.749	6.870	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(=O)(=O)c1ccccc1	100287708	SZNRSWHBEPJYHB-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1Cl	100336161	QYZMQMTYWFKLMR-JAIQZWGSSA-N	525.830	6.853	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	100336709	PETMXYZSDSIZDB-ZDLGFXPLSA-N	557.300	5.759	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccccc2)cc1	100350233	GQGUOIVNQSKKDX-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(OC)c(OC)c3)nnc2-c2ccc(Cl)cc2)cc1	101506957	NMHHZRSWOZXIHW-UXHLAJHPSA-N	566.083	5.636	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528741	CBYUDQGCKMIVEC-JOCHJYFZSA-N	604.517	11.445	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	103895461	MOUGVSOZRFCGFP-AJBULDERSA-N	549.693	5.428	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1	103900533	AXBIQWWWRYHCMR-RMLRFSFXSA-N	544.073	5.100	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1	108298472	FINXFMAJISJIDP-OKCVXOCRSA-N	537.841	6.997	50	40	KKGB	
CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341406	WOMWXWJECJHRES-SECBINFHSA-N	922.236	12.727	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1cc(Br)ccc1O	150420708	WFRPSBLLPWZOGY-VJJHSDPTSA-N	637.446	5.030	50	40	KKGB	
CC(C)OP(=O)(OC(C)C)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)P(=O)(OC(C)C)OC(C)C)NC(=O)C(F)(F)F	150509148	MATHCOUFSUCJHW-ZRNYENFQSA-N	814.742	5.473	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795354	CDKSTDXUTRBKJP-PHIMTYICSA-N	744.127	9.770	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408526171	ATRWUODGHMCIJN-IUXPMGMMSA-N	523.641	8.061	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2OC)ccc1OCc1ccccc1	408538679	PALJEKZAKQGHCU-NTFVMDSBSA-N	641.562	8.177	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539225	GAVTVRJQHZURFO-CVKSISIWSA-N	571.029	7.878	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(C(=O)O)cc1	408542023	JDDGSJKLCIFUKZ-NVMNQCDNSA-N	513.731	6.352	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1ccc(C(=O)O)cc1	408543927	QUFZAFMAMSTHRF-ODLFYWEKSA-N	560.185	6.395	50	40	KKGB	
CCOc1cc(Br)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCC	408567457	FABNLHDZKMJPRL-ZMOGYAJESA-N	525.490	5.254	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408578658	AFXOMHNYHDIHCG-LICLKQGHSA-N	614.288	7.137	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1OC	408581531	ITBMQGYLGIRSTB-GIJQJNRQSA-N	547.218	7.011	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408614899	JMGSQBKTAQZOKO-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408643980	GQNXNXLUQSWAJK-QVWZKCLOSA-N	549.813	5.177	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)cc2)cc1	408671086	SOXZWFYZOZSUOB-UHFFFAOYSA-N	596.478	5.262	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408671414	KYEPZKRZKIWPGU-ZRNYENFQSA-N	562.302	5.490	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408711807	LMOSFBGBZKAWEG-DICXZTSXSA-N	501.808	5.773	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1	408718089	ITNVYHMZUVIKCY-KPGMTVGESA-N	611.279	6.991	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408741296	IFUYQHZJWKGIEY-SNDAAJCPSA-N	725.470	10.232	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)ccc1I	408747889	VIAQLUKIDKWJCO-KKMKTNMSSA-N	660.221	5.395	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408748022	XDFUXDVCAPOVON-SXGWCWSVSA-N	730.094	6.691	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccccc1	408757362	YYUUJEOJQWEDKL-XDHOZWIPSA-N	510.331	5.424	50	40	KKGB	
C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1cccc(Br)c1	408766364	CNLWIINOLKRUKM-JOWQQVNMSA-N	508.441	5.377	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)c1	408779782	KIESGLQAIYZQIB-STZFKDTASA-N	553.531	6.257	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(I)cc1	408787483	ARLBVBLCUYPBEM-VCHYOVAHSA-N	603.800	6.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408788565	DNHNNYZYVGSGGC-PCLIKHOPSA-N	628.479	7.460	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)cc1	408791607	ZKUNXRMOABMBDN-RCCKNPSSSA-N	505.368	5.750	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(F)cc3)cc2Br)cc1	408792171	IZWKJYNLJJOGMR-DEDYPNTBSA-N	539.401	6.510	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408792490	KGIRGAILDDNBJZ-WGOQTCKBSA-N	583.040	7.141	50	40	KKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	408801335	AAGQXWCLRLYUCZ-IREQLNLFSA-N	569.237	5.463	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1I	408809795	JESPDQBOLFKYBZ-GHXNOFRVSA-N	515.120	5.137	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1	408829660	PPXLWSCEIXLQFO-FDAWAROLSA-N	593.061	5.481	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408830098	RETPASQRIJZGMZ-KCSSXMTESA-N	626.504	5.521	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OCc2cccc3ccccc23)c1	408836618	SZSSUPFIMCSVRI-WPWMEQJKSA-N	609.509	8.859	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)cc3)cs2)cc1	408838242	CYDNPUHLKAMBCH-SEBMTOOBSA-N	581.745	8.701	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1cccc(F)c1	408838334	DPCHROATFRPHSS-KULFSUQXSA-N	679.999	8.850	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(I)c(C)c5)c4C)cc3)cs2)cc1	408840273	ACTYFPYHYPQUGA-ATZGPIRCSA-N	645.570	7.947	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5cc(C)cc(C)c5)c4C)cc3)cs2)cc1	408848055	WTOLNCMCCTWRSA-DPNNOFEESA-N	533.701	7.650	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1ccc(Br)cc1	408850832	RWYALOCWEPZVIF-YCPBAFNGSA-N	648.975	6.614	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1	408863787	QBDJKKRERVECOO-QXUDOOCXSA-N	619.143	5.827	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408871947	ZYNXLVSKTQSWDZ-VEDIRDOVSA-N	526.829	5.210	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408871993	IVLJQVRLHAXCTP-UVHMKAGCSA-N	533.875	6.074	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1Cc1ccccc1F	408875872	LUYYFQBNGAIAMO-RQZCQDPDSA-N	557.319	5.484	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1C	408880100	IZGGLUPTXDSIHB-YBFXNURJSA-N	560.275	7.588	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)c2C)cc1C	408880374	IPSPXRZRDLFJDX-VVEOGCPPSA-N	555.022	5.299	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408883529	VOJDHPMZVYOXHZ-RIYZIHGNSA-N	554.269	5.512	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	408900107	SRRDLIPESSUVQF-LUOAPIJWSA-N	587.095	6.870	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OCC)c1	408907852	PINMDZSCMCPJQC-XDRVCWSLSA-N	568.468	5.234	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1cccc(F)c1	408948763	GLNJCAVPDVTFMJ-MTJSOVHGSA-N	548.412	5.923	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc2ccccc2c1	408951122	LLDPMXFYILWTSD-YUMHPJSZSA-N	594.509	7.327	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c2ccccc2)cc1	408980952	UOBKCAVQHUCQQZ-JBIOKXMTSA-N	566.035	5.167	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c2ccccc2)cc1	408982468	XZDMQJNNAWFLIS-AWLRXGSOSA-N	606.542	5.897	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)ccc1I	408994605	GSVHZRJLCPZLHT-DANHRZQXSA-N	743.017	7.483	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)/C=C/c1ccccc1	408999984	WKZYNRCKHNISEG-HOKQKXSGSA-N	578.581	5.629	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	409002909	QDAYEPHYKGFXHE-BKZXGXTDSA-N	673.960	5.564	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)cc(OCC)c1OCc1ccccc1Cl	409010216	BGGUYICLGMHSJR-KRSSLAFTSA-N	654.207	6.920	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1cccc(Cl)c1	409046449	KFRCZGMLWATJKY-XZYGTATASA-N	597.140	8.257	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1Cl	409052056	PUDICLQCHLUYHH-ORBVJSQLSA-N	605.541	7.823	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409056037	MAVUANBNKAKJHI-LQKURTRISA-N	576.900	5.009	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2ccc(I)cc2)c1	409062777	AQXATYBWWSOMST-CJLVFECKSA-N	551.428	6.262	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1	409086385	VHQJLUZTZUOAMY-AWNIVKPZSA-N	544.263	6.056	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409091035	OQPDATPZFWFTKE-RIYZIHGNSA-N	529.292	6.156	50	40	KKGB	
CCOc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccc(Cl)cc1	409116833	MXJZQNZZFBULBT-UHFFFAOYSA-N	520.095	5.643	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(I)c1OCc1ccc(Cl)cc1Cl	409139588	OGZVCXMTQYEYCS-FQEVSTJZSA-N	597.240	5.825	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1	409175469	RPCJNGGOOGYEEI-ROPCREHHSA-N	721.390	5.278	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409182094	ITZFLUMZZYUYQG-XKJRVUDJSA-N	577.253	6.163	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1	409226440	WEWHYGPYTFGYRO-IXXCKBAZSA-N	706.347	7.063	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409231826	MQFLYFFAMSFPGZ-LSCVHKIXSA-N	516.306	7.009	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cccc(OCC(=O)Nc5ccccc5Cl)c4)cc3)cs2)cc1	409263184	AXTFOAWAXCVDDN-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	409268350	SJEGCYAVIDCLQJ-ODQASSKESA-N	753.904	8.822	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409313825	POTLYPYSFPBRAE-DBFSUHOCSA-N	537.878	6.231	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OCC	409316718	ZLKDGPHYGJELOR-BVMLUPFRSA-N	565.881	7.186	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1	409324943	WSQGKEKCEQGMHU-MUXKCCDJSA-N	547.833	5.861	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccccc1	409359208	ACQLOZJBMBHHBK-ZDLGFXPLSA-N	642.072	7.301	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409365699	VXKPJCCEYLWBHR-GZTJUZNOSA-N	554.372	5.256	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409368017	PURVLJMLMCAAJA-RQZCQDPDSA-N	524.242	6.263	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1cccc(C)c1	409373315	GXHUTQSYDPSFPC-JAIQZWGSSA-N	535.385	6.436	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409394513	BKHFTSKMNLFKMR-UHFFFAOYSA-N	631.870	7.451	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409396301	XNUFHSVDXPFPJG-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)cc1OCC	409398697	VFNJDNUKPSYBIW-UHFFFAOYSA-N	577.637	6.624	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccccc1C#N	409399949	ALPWWDGRZBXAKH-KOKCXWAISA-N	653.533	7.252	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(Br)c3)o2)cc1	409406890	XWUMVGQZDGZPIG-RODHXAHZSA-N	676.951	7.723	50	40	KKGB	
CC(C)c1cc(C(C)C)c([C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@](=O)C(C)(C)C)c(C(C)C)c1	1857795033	HVYVKRIMWAYKQQ-BVXKYASOSA-N	611.876	9.298	50	40	KKGB	
CN([C@@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)c1cccc2ccccc12)[S@](=O)C(C)(C)C	1857795057	JJQYEZQPZNFFOF-KCWZFZKISA-N	667.855	9.513	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1	648525	VUSQZOHRPYPIRE-QHCPKHFHSA-N	501.384	5.176	50	40	KKGB	
C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2C(N)=O)C1	1750135	MIXDNBVPUFKCTR-ZMTLZGASSA-N	510.959	5.339	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	2205605	JMLJSRNGGZLQDM-LJAQVGFWSA-N	535.625	6.244	50	40	KKGB	
Cc1cc(Br)c(NC(=S)P(=O)(c2ccccc2)c2ccccc2)c(Br)c1	2561304	FIBLKDTZBFMKNR-UHFFFAOYSA-N	509.203	6.231	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)cc1	2665804	BKVLRTWUSJDGIS-HKOYGPOVSA-N	506.606	6.579	50	40	KKGB	
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)NNC(=O)c3ccc(C)cc3)n2)cc1	8446355	OHGMIWKKKICHNC-UHFFFAOYSA-N	508.603	5.158	50	40	KKGB	
CCOC(=O)C1=C(C)NC(SCC(=O)N2CCCc3ccccc32)=C(C#N)[C@@H]1c1ccccc1Cl	20131708	KHZWLFBKYHKNKY-VWLOTQADSA-N	508.043	5.312	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	97960848	FDQIEIFYNCXVMX-ROPCREHHSA-N	551.392	7.482	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)cc(Br)c1OCc1ccc(F)cc1	97965029	HOZMEAMNBINWTG-YBFXNURJSA-N	565.424	6.344	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(CC)cc3)=C(C)N2)sc2c1CCCC2	98048638	CCZRAAWXWYLTFI-MUUNZHRXSA-N	630.792	6.666	50	40	KKGB	
CCOC(=O)c1c(C)nc(=O)[nH]c1-c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(OC)c1	100304978	RIPZMKMWCMYQKY-ZHSUKTGHSA-N	626.497	5.174	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3ccccc3nc2-c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccccc1F	100986187	ZHRZILJABSGFQG-VWLOTQADSA-N	538.604	5.853	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100991312	LTZHCCLVMABVHU-BDPHVXEFSA-N	587.326	7.129	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc1	102512648	QPLKZPTUMFSLFP-WELLZUMNSA-N	548.010	5.936	50	40	KKGB	
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3cc(OC)ccc3OC)=C(C)N2)c1	102808445	SOUFRDWWJBUIMV-NDEPHWFRSA-N	590.658	5.021	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1	102933441	RCCPBAROUNRZOM-LICLKQGHSA-N	589.773	5.986	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	103148866	UDBFSSWSUPTNFK-TZBSWOFLSA-N	612.482	6.599	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc2ccccc12	103700839	OKTYEHNZRQCOEU-LJUMEUDFSA-N	543.417	7.090	50	40	KKGB	
CC(C)(C)N[P@@]1(Cl)=NP(Cl)(Cl)=N[P@](Cl)(NC(C)(C)C)=NP(Cl)(Cl)=N1	104382646	UJKDWFLDZNKOKW-RQNOJGIXSA-N	536.904	9.994	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)cc1	104403224	TYPJXZCHYUPHTN-RWPZCVJISA-N	578.834	6.085	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CCSc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104700086	FWKNQPHBXFNQTK-RGMHEACTSA-N	560.119	6.976	50	40	KKGB	
Cc1ccc(COc2ccc(C(=O)N/N=C/c3c(OCc4ccccc4Cl)ccc4ccccc34)cc2)cc1	105305367	OYUOFIAYRFUJGV-JEPNHJGPSA-N	535.043	7.724	50	40	KKGB	
CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CC[C@H](C)C(C)C)[C@@H]2CC[C@H]3CC(=O)[C@H](Br)C[C@]3(C)[C@H]21	123272796	GXFFJSAUBRBFMJ-SYEUYMQSSA-N	537.623	7.838	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c(C#N)c1C	150573239	RWGISTQVOKLUHQ-OVVQPSECSA-N	626.694	7.857	50	40	KKGB	
OP1(=S)Oc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3ccccc3c2-c2c(c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3ccccc23)O1	169807615	MXHPEAFAFDFKGJ-UHFFFAOYSA-N	788.546	13.057	50	40	KKGB	
C[Si](C)(C)O[C@@](CC(=O)c1ccccc1Br)(c1nc2ccccc2s1)C(F)(F)F	195568264	QIXSVPFIGXADMM-IBGZPJMESA-N	502.428	6.941	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	408539933	KQUOAZCDEUMQDP-KYHGBAKBSA-N	579.878	7.033	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)cc2)c(C(=O)OCC)c1C	408546297	GFKCRGDXQWGWMZ-LPYMAVHISA-N	610.526	6.779	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1	408579927	LNCHSSZJWNBPRR-XDHOZWIPSA-N	558.803	6.425	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1	408607405	CPFCWTMRVQWFLC-CCVNUDIWSA-N	500.382	5.368	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408643837	GMVHKDSXSIIQPX-WFXMLNOXSA-N	554.257	5.836	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408646932	JCVZBPDEXMPRRR-WOVUGTGXSA-N	643.159	5.400	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408725021	GAMFRSWCHSISPJ-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408740278	AUWUANVNJSQFQK-ZDLGFXPLSA-N	508.328	5.491	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2	408740954	FNXOAJDDZGWKRI-NVMNQCDNSA-N	507.340	5.311	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(I)c2)c1	408744860	NRKMIMJVUXSRIF-ZDLGFXPLSA-N	591.218	6.626	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)c1	408745747	OUOQMUSYACOQAK-QRVIBDJDSA-N	517.412	7.670	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)ccc1OCc1ccc(Cl)cc1	408775275	RZKDIQVEJJCOMI-QJOMJCCJSA-N	504.030	6.710	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)cc1	408789692	RBPDZNJXMZXGLP-DEDYPNTBSA-N	523.358	5.890	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408791593	ZFFBTVPYFDLWME-LICLKQGHSA-N	528.200	6.042	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1F	408791671	ANYGWHOSVSFADI-RQZCQDPDSA-N	573.318	5.472	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408792593	BDPIVBIAYKGZDG-CAOOACKPSA-N	512.305	5.724	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCC#N)c(I)c1	408793440	OSCYYWXEFXFTCA-AWNIVKPZSA-N	603.585	5.306	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408799848	IKXSVKNTSURJCH-RGVLZGJSSA-N	506.787	6.407	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408807188	OKQDMJNISHLKPO-XQNSMLJCSA-N	537.446	8.733	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC	408826323	JCDUAHGIKVAKSN-VGOFMYFVSA-N	554.768	5.081	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)c1	408828714	NSBDBJCIWVBOOA-OCSSWDANSA-N	568.051	5.105	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	408829691	PYFILURMYYCONL-MWBNBJEGSA-N	651.107	5.532	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408831470	QPKFHQYWFWJBSN-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)c(C)c1	408831779	RYELRTCTPDZKRP-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1	408837284	BOJDAXSPRPRAIA-JJKQSNDFSA-N	662.912	5.934	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408837737	MNRVVWFYNQDSIC-MWBNBJEGSA-N	717.038	6.361	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1cccc2ccccc12	408839149	NUVVBFKRJVQBGH-HASSKWOGSA-N	619.146	8.712	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1Cl	408839517	AEEIUWXHNZUTEM-FABQOPTDSA-N	687.012	6.353	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(I)o4)cc3)cs2)cc1	408848377	VZXDVVDBUZLTGA-WYMPLXKRSA-N	528.375	5.824	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2	408850303	KYECNGRIMFTGNZ-CLHYIUPASA-N	652.545	7.686	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)c2C)sc2c1CCCC2	408850553	BWNVCZMWBRKPPI-JJKQSNDFSA-N	662.621	6.722	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(C)c1	408851416	YZDKFVAUXXQNMM-NUJZUDFISA-N	633.280	6.850	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1	408852841	JGJDSFONQRULHO-JNKLXYNLSA-N	569.514	5.608	50	40	KKGB	
O=C(N/N=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1cc2cc(Br)ccc2o1	408853441	SJLVBJHGDHXOMX-WKIKZPBSSA-N	517.339	5.870	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408882789	OABCEQQIBLJBOI-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408883138	RQBDWGUGYQWEFF-LZYBPNLTSA-N	702.310	6.527	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OC(=O)c1cccc2ccccc12	408886675	LFTJNPUNWOWZBW-XDHOZWIPSA-N	576.392	7.218	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	408889432	GWGVAPCYSVCEFG-JJKQSNDFSA-N	623.882	7.593	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)c1C	408921136	FAMBEMJMRFCSBU-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(OCC)c1	408944615	JDVOAVZHOIKVST-PMERELPUSA-N	725.618	5.041	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc3ccccc3c2)c(OC)c1	408944897	JWNWMLZNAVUJHW-JGCGQSQUSA-N	764.642	5.917	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)c(OC)c1	408956213	PXILUWJVIDGKNE-SAPJXHNFSA-N	729.968	5.139	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)c(OC)c1	408957163	SNTAKXXNYVLFHZ-ZHOFXBFXSA-N	700.192	6.055	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2F)c(OC)c1	408957511	UTDHDWMHLUKCPA-VVYBVRPNSA-N	659.498	5.440	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OCC	408969204	JCLVUGFLXQHTHH-ZMRKYAEKSA-N	562.505	5.005	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(I)c2)cc1Cl	408982137	GFGCQSHYJMXVNJ-LSCVHKIXSA-N	572.786	6.106	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(I)cc1	408985347	APQBXFSHZAEHII-BKUYFWCQSA-N	647.738	7.869	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)o2)cc1Cl	408993817	WXWNMMUKZVRKIX-SFQUDFHCSA-N	597.077	7.349	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1	409002135	MHBMPRFZWSRQFP-KCSSXMTESA-N	586.442	6.002	50	40	KKGB	
O=C(COc1cccc2ccccc12)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	409002158	YJHIDQKIFYCMFS-CPDSRJINSA-N	706.274	5.855	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	409005680	JMFKMIHRZZVZRC-IPBVOBEMSA-N	579.720	6.295	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21	409016759	ROQAUGWESJMFCO-TXFWMTPSSA-N	623.537	5.465	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1O	409018430	UYYQLYHZHVTSKZ-YOCRSQMJSA-N	550.483	5.275	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020048	LQPUPTZGLNNDSY-HASSKWOGSA-N	660.609	7.106	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1	409046069	IMSCMHQCQNXFKA-VIZOYTHASA-N	615.536	8.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409064014	BFEMFNUMBDSMJB-LFIBNONCSA-N	559.825	6.474	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409086411	ZMMXIEHSCDWJID-VGOFMYFVSA-N	607.295	6.631	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)cc2)cc1	409120099	RPMAHQQSVAMGNS-KBVAKVRCSA-N	569.514	6.298	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccccc1F	409130734	UNIFWZJBSUICBY-SANMLTNESA-N	645.513	5.791	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	409141044	LGZKLASKEVSMKF-LGJNPRDNSA-N	536.651	6.137	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1Cl	409153277	MNUHRJVTKHRXLC-VYVUJPJFSA-N	588.662	6.060	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1ccccc1Cl	409164437	ILTPAEMQJALVRW-IPBVOBEMSA-N	598.668	5.516	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc(Br)cc1	409191993	RXGHKGLSVCCRJH-WQRHYEAKSA-N	595.275	5.997	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1	409226190	PMAWGGGZRFRMFS-HJMLNSDNSA-N	616.899	7.046	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(C)=O	409226245	QDHYJHLNQRRHNM-VHFSBPNMSA-N	676.078	5.535	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(NC(=O)c4ccc(Cl)cc4)c3)cc2OC)cc1	409226415	VXSQYTRUTHLBKX-UHFFFAOYSA-N	557.990	5.593	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)c1ccccc1	409238966	XRBCYQHKBDUDHP-WBRURWICSA-N	634.255	6.259	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1	409253106	VVEKDWWEWFRXIZ-NDENLUEZSA-N	533.968	5.007	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409261866	FMRIVZNMFPTSQO-CIAFOILYSA-N	595.437	5.788	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1	409305320	VKRKGCZUBNXAOL-FZPRHHONSA-N	565.504	6.757	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1OC	409309134	BYZJAYIBBYLWJT-VYYCAZPPSA-N	501.352	5.338	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409311571	AVEWCWJUTMVERQ-MWLSYYOVSA-N	625.925	5.830	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1OCC	409313224	OXMQAWPTVRVMIM-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C)cc(C)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409313971	RGRBRLWSOIHORY-FCHUYYIVSA-N	562.475	5.119	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OC	409318513	WDMMLPJLKRGPFL-NUJZUDFISA-N	530.408	5.491	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)SCCS1	409360742	FSRFYPGHQFVRKX-BHGWPJFGSA-N	717.230	6.274	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OCc1cccc2ccccc12	409366542	VWXROHRZANTLFN-KPGMTVGESA-N	613.883	6.638	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	409373558	UTJCFRXAWNQWBK-LQNQUEJISA-N	516.985	5.928	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(I)c1OCc1cccc2ccccc12	409383975	SLAHYSLMOYWAEO-KBVAKVRCSA-N	610.448	6.203	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409392569	QXPYQSOPDURORS-MNBJERMJSA-N	574.431	6.227	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409395789	RUOWIYSCYIRDFI-UHFFFAOYSA-N	612.436	6.318	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)cc1	409396092	WJGFQHJRWUUSFO-UHFFFAOYSA-N	503.558	6.135	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(N(C)C)cc2c1-c1ccccc1	409397139	GTIWWHOBTQBFLK-UHFFFAOYSA-N	567.045	6.546	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)c1	409397152	GXMNMNRWADTJLN-UHFFFAOYSA-N	552.428	6.889	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397841	OOAPLHQABXESCJ-UHFFFAOYSA-N	513.937	6.073	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409398134	RAWFUJYEHZMHLC-UHFFFAOYSA-N	629.454	6.740	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4Br)c(I)c3)o2)cc1	409403858	OIVTXCGLKAPGFI-RODHXAHZSA-N	803.289	8.739	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3ccccc3Cl)o2)cc1	409406054	VWKNJSSUJLUBRG-RODHXAHZSA-N	667.387	8.678	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	1767589	DUCGWLPEYDJQHQ-XNTDXEJSSA-N	559.272	7.609	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1776359	TUJGDHREBWWUSK-STBIYBPSSA-N	544.637	5.391	50	40	KKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	1824892	OOSSSSWZIRDUMT-XMHGGMMESA-N	513.531	6.306	50	40	KKGB	
Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)ccc1Cl	1874144	MRQDQRUQORBADM-DEDYPNTBSA-N	570.852	5.858	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1Br	2187837	OAGHOLCRUDVHPL-QDCCHXAWSA-N	546.259	6.237	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccncc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	2216316	VNNAMXAAPPIILV-KBKYJPHKSA-N	509.187	5.502	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3OC)n2-c2ccc(Cl)cc2)cc1	2351837	LQKBZXDRJTYPNN-UOFJPCGLSA-N	534.041	5.512	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C	2366565	PWUNBRGMNJJPPD-VBKFSLOCSA-N	530.071	6.942	50	40	KKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1	3091744	KEJKBIQFCOPOQI-CQFWSYKGSA-N	528.616	5.117	50	40	KKGB	
Cc1cccc(NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)c1	3116304	GDPXDJGEWWJFMU-KVSWJAHQSA-N	563.221	5.441	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1cccc(Cl)c1	8811158	RINMOBYPAATQJI-CCVNUDIWSA-N	503.382	5.752	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12	9204236	AVEZQIUVOYJUPM-MUFRIFMGSA-N	507.815	6.528	50	40	KKGB	
O=C(CC(c1ccccc1)c1ccccc1)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-]	12528899	PMRFMWBBJLXSIV-UHFFFAOYSA-N	516.579	5.061	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccccc3C(F)(F)F)cc2)S(C)(=O)=O)cc1C	20232528	JWCHJXHNZYSQIK-WKULSOCRSA-N	503.546	5.052	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1)NC1CCCCC1	28214733	UTKJFRMXZRGKII-NDZAJKAJSA-N	501.652	5.571	50	40	KKGB	
COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1	40476957	BQOQLHZYUMVLBE-RVDMUPIBSA-N	508.353	5.442	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1	58853668	PAWSMJDZPDBILL-RDRPBHBLSA-N	521.042	5.337	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)c4cccc(Cl)c4)c3C)sc3c2CCCC3)cc1	59301886	OFQRXLNPQICXBF-JLPGSUDCSA-N	526.105	8.313	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	59417056	QIFSEAHCJWCRJT-RPPGKUMJSA-N	500.363	5.596	50	40	KKGB	
c1ccc([PH](CC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	72283137	WDTAKLSLSSTQOJ-UHFFFAOYSA-N	554.654	6.439	50	40	KKGB	in-vitro
O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	97960880	IRQYJYKXFFVJJS-BYKQSKGBSA-N	561.645	8.696	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	100129878	GMNIVOQOCZIWMM-HWIUFGAZSA-N	556.732	5.403	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(C)cc2)cc1	100242887	ZNVIQUVMOFUQIY-FMFFXOCNSA-N	572.731	5.764	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303153	QJZCNAVWPMIZSW-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303704	YBEGMMGWNVHDGL-HNSNBQBZSA-N	608.116	5.590	50	40	KKGB	
N#CC(NC(=O)c1ccccc1)=C(Sc1ccc(Br)cc1)Sc1ccc(Br)cc1	102584182	LUSNYRREHBTORF-UHFFFAOYSA-N	546.309	7.219	50	40	KKGB	
CCCC(C)(C)OOC(C)(C)C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	118920931	MQGVLLQFFLTSOQ-DNGXLBMWSA-N	558.800	7.572	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Br)o2)cc1	150386650	BHXPUEDHPIHRSL-CNCDYAKUSA-N	678.392	6.137	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408539378	WEFQRCJTISDDMD-NJNWQDHISA-N	763.714	9.564	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2OC)ccc1OCc1ccccc1	408540426	RQWDTVYBEHQVLI-FZPRHHONSA-N	609.904	7.042	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OCc1ccc(F)cc1	408551111	BFXMTTHSZVWMAB-HYARGMPZSA-N	527.621	6.499	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408570007	RKOZKPMTQJHFRB-WKULSOCRSA-N	505.640	5.836	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1	408610552	OCSZPUODOWHNMS-FJEPWZHXSA-N	528.436	5.795	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1Cl	408646896	JBJCVUXGRGDAJZ-FWVXSKAISA-N	698.022	6.318	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)c1	408745994	PXTWUSISRZUFEW-JAIQZWGSSA-N	525.830	6.934	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccccc1	408773085	GBLWAZCSLOOKOO-BIZUNTBRSA-N	558.059	6.001	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1cccc(F)c1	408788064	AQVFVOWNMBAZHO-RGVLZGJSSA-N	509.375	6.420	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccccc1C#N	408793826	GWMRTWMGVWATOF-YDZHTSKRSA-N	577.422	6.249	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2I)cc1	408794002	HNBQPYNFCKYOEF-FYJGNVAPSA-N	508.359	6.033	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)c1cc2ccccc2o1	408807681	DLGQUWWPVQIIQM-ZMFRSBBQSA-N	622.200	5.985	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl	408818101	ZGEDSXHQJBLKEY-UCQKPKSFSA-N	507.417	6.533	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1	408824053	PEPVNVCTNCEFIN-FBHDLOMBSA-N	675.264	5.578	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408824498	QPCGMGKMNAQKRG-YDZHTSKRSA-N	733.817	9.354	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408834511	WJHOHCLOYGKZQG-JVWAILMASA-N	597.509	7.778	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c2ccccc12	408838937	KLWJKQDKGPFCBU-KBVAKVRCSA-N	527.049	7.523	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1ccc(C)cc1	408840445	YWDHXIKMZVNMQB-HNSNBQBZSA-N	600.469	6.392	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408843491	LRHWKELJKBPFAQ-SAEPALGJSA-N	668.016	9.466	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)cc3)cs2)cc1	408844167	OSNQQVBKHHUPSZ-AABVJFSESA-N	721.431	8.638	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408860815	FTHSCPYKCIOGLU-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408868588	NTQYTEXJXRIARC-LJTYIHQBSA-N	660.818	5.409	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1	408879468	DPPNDYNGKNFLQQ-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1Cc1ccccc1Br	408881641	LKNRBOBWTIJCGF-VCHYOVAHSA-N	621.700	7.161	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccc2ccccc12	408886341	GITOIPSLFXJNLN-CPNJWEJPSA-N	517.368	6.920	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408886754	LVDXIZNNFDSVOL-FRKPEAEDSA-N	636.242	7.096	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408888902	CQKAGTYFKPZKCI-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1OCc1cccc2ccccc12	408891397	QBBLRDULWSHORP-KGENOOAVSA-N	513.937	6.535	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	408892613	BMLYGTVOIBPZCP-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1	408895816	OGDUUHSRLWTWES-KBKYJPHKSA-N	527.366	5.760	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OCc1ccccc1Cl	408898870	YBIXTLRKVWMFBO-VCHYOVAHSA-N	593.248	7.040	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(I)cc1	408904081	DKLKONSATBFOTG-ZMFRSBBQSA-N	571.327	5.297	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(OCC)c1	408944163	INZQZAXDMIBWLU-GDLZYMKVSA-N	716.054	5.965	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	408953234	XEQNWYZUAVDQKO-HHHXNRCGSA-N	645.540	5.597	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2cccc3ccccc23)c(OC)c1	408957862	WNCKYIHENIVLOF-AEDYYIHTSA-N	736.019	6.563	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408996086	OCELYFNLDIMVOW-MNBJERMJSA-N	549.543	6.620	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1	409010625	CUXDPKWKEFNZBO-PIMODXEOSA-N	567.492	6.739	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409011104	MAWVVYFWBZVEMY-OAQMXIGCSA-N	671.021	7.670	50	40	KKGB	
CC(C)C[C@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1	409014082	LYNNBVRVYZACRA-XLBLDCAYSA-N	598.325	5.498	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCC(=O)Nc1ccccc1	409022327	KBTJVJLSVNDQOD-QDTIIGTASA-N	556.800	5.639	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	409024207	BOYXRHGFAPAZJA-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409026605	UERSUEAECPSITE-WBILBPDKSA-N	506.411	5.091	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl	409028097	KATFWJFSRLBKLA-LUOAPIJWSA-N	562.306	5.624	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1	409038639	PUUQFXNFRWEZQS-LSWWMUDKSA-N	596.470	5.969	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	409047038	MFIXIDREZRZCGD-DEDYPNTBSA-N	611.436	5.570	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(O)cc1	409082289	SBENDUNAQJAMFG-NTEUORMPSA-N	548.271	6.420	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409086212	YRIOSGPGGVTIFA-OVCLIPMQSA-N	599.871	8.022	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	409195126	TZPOSLBHGVFUQS-BRJLIKDPSA-N	513.366	5.602	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1	409217950	GAVFZQZWKFTLDN-YWQXHRGXSA-N	593.552	5.446	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	409219392	PWXABOKNNDHNTA-HINCVVRHSA-N	614.916	6.542	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2)c1	409222548	DUENYTOVUUXLDJ-QYDGHPSQSA-N	647.323	6.847	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1	409223858	GBJYXWNMCKQHDH-LZAZYHHXSA-N	534.410	5.260	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409232898	IXTXLKIGASQJKA-OBLBUWMUSA-N	607.275	6.970	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	409244259	AGZHELACZNLLAZ-CFKHXJFWSA-N	519.439	6.520	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409251485	QSFVXGNENLJSIR-ODLFYWEKSA-N	538.829	6.283	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1OCC	409313888	PUDDMTLDHINIPZ-UHBFCERESA-N	604.339	7.050	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OCC	409317995	TZOBWXYRTQYYQN-DXJNIWACSA-N	531.609	5.139	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)ccc1OCc1ccccc1	409324104	SEJHUVKEFDKCBF-KYHGBAKBSA-N	579.878	7.033	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc([N+](=O)[O-])c1	409371329	HDPYCUAKCNPOBZ-SOFYXZRVSA-N	583.063	8.070	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)[nH]c2c1	409391273	ITVHXTJRJJFORK-MFOYZWKCSA-N	505.328	5.885	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)[nH]c12	409397905	PIPGVGHSSDBKOW-UHFFFAOYSA-N	513.937	6.073	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4cc(Cl)cc(Cl)c4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409398280	SDSWGBRMKIXVNJ-UHFFFAOYSA-N	646.483	7.067	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccccc1F	409401244	RSVMRSSLKAMTER-UHFFFAOYSA-N	567.617	6.757	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(C)C)o2)cc1	409403930	ONWQYDCMHQQEEW-UHBFCERESA-N	506.002	6.471	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)sc2c1CC[C@H](C)C2	1829578	MBORIWWEWWWVIQ-XOAFGZPJSA-N	539.451	6.618	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1OC	2589236	JEPMOWBWYJGSSS-BIZUNTBRSA-N	557.720	6.190	50	40	KKGB	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1cc(-c2ccccn2)nc2ccccc12	6182586	VCZTWXNAYBPWAJ-UZWMFBFFSA-N	501.594	5.155	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1Cl	9288121	YJILKFVVGZBEOD-VULFUBBASA-N	501.764	5.484	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc(Br)ccc2OCc2cccc(F)c2)[C@@H]2CCCC=C12	23381021	LXKKKJGDAAOZOH-HYBUGGRVSA-N	503.375	5.761	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	33390810	OEEUBDILXPDVCV-PDGQHHTCSA-N	508.328	5.448	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	33445455	PMPUFIQLOWEQIX-RPPGKUMJSA-N	500.363	6.459	50	40	KKGB	
CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21	46084982	FSTRPUQVLFFMNZ-BVNFUTIRSA-N	527.665	5.999	50	40	KKGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	59473157	MBKHGCFQZWOAEX-MUFRIFMGSA-N	511.043	6.117	50	40	KKGB	
C[C@]12CC[C@H](OC(=O)COc3ccc(N(CCCl)CCCl)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12	95670472	YMLNFFIBJFJMPJ-XJCVPRNJSA-N	579.609	6.173	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)c1	97960792	LQJXHIPIAOIOLA-NDENLUEZSA-N	521.367	5.671	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OCc1cccc2ccccc12	100956174	NEHLAYIQHHWDEC-CNCDYAKUSA-N	623.447	5.713	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cc1	100988410	KBWUJVCHEQDSKR-YDYXIROLSA-N	597.332	6.585	50	40	KKGB	
O=C(/C=C\c1ccco1)NC(=S)Nc1ccc(SSc2ccc(NC(=S)NC(=O)/C=C/c3ccco3)cc2)cc1	102043429	LHMWVIRWEARZFE-CKOAPEAFSA-N	606.776	6.725	50	40	KKGB	
CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528523	KBCXUMKMWJNGJN-MRXNPFEDSA-N	520.355	9.104	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	103610286	FMHJOEQILIVSKK-VCHYOVAHSA-N	545.901	6.790	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	103895780	GOJOBQLIRXGMEO-FABQOPTDSA-N	602.034	6.283	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)[C@@H](Br)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C	118932027	OQIQFVJQPICULU-SOJVWZAHSA-N	523.596	7.592	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCc1ccc(Br)cc1	150427565	MGUYSYJABDNFEG-MUXKCCDJSA-N	672.155	6.487	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCC[C@H](I)CC(F)(F)C(F)(F)F	169795305	SGSBRPZTEMQATO-YUMQZZPRSA-N	602.032	7.329	50	40	KKGB	
Cc1cc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)c(C)cc1Br	226385256	NMRCQAZVYBNJKU-GCIOHYTISA-N	619.192	5.343	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2OCC)ccc1OCc1ccccc1	408541335	ZDEPOXZMVMSPDB-JVWAILMASA-N	629.507	8.377	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCC)c(I)c2)c(C(=O)OCC)c1C	408546731	OFPYLYJMFYTRNC-OVCLIPMQSA-N	707.324	5.737	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552631	RSCGMJCJKSYJMW-PPDIBHTLSA-N	506.773	5.437	50	40	KKGB	
Cc1nc(-c2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cs1	408553861	PZMGXPVTZXDCAX-FTCYSYDXSA-N	618.340	6.969	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccccc1C#N	408570754	YDJBPXARPDKZBJ-OCSSWDANSA-N	533.675	5.544	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408570963	ZVXUXUNBDFWVPI-APSNUPSMSA-N	516.787	7.704	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)cc1	408580652	QHGOFKUHUGISHQ-RGVLZGJSSA-N	515.778	6.905	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1OC	408582992	QMGGJJMNPDSVPU-WSDLNYQXSA-N	579.288	8.025	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCc1ccc(Br)cc1	408590633	QAQHLLILCXRORI-UVHMKAGCSA-N	613.677	6.449	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408639374	FRHFIFUOQYRZEB-NDBXHCKUSA-N	787.310	6.232	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408641292	JVPSGCAGFXNTCV-LWSSLDFYSA-N	816.124	7.137	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O	408650121	ZMZYRBINVXPTAO-NRFANRHFSA-N	515.780	5.527	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408689706	YWJLSERXWOVPBM-VPZWPZHPSA-N	646.119	5.237	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccccc1Cl	408724357	CQCHUZYAMUHFMF-WQRHYEAKSA-N	574.802	6.174	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1	408744473	LJFCDJNQSNCMNR-UNOMPAQXSA-N	552.381	5.889	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2C#N)c(I)c1	408745751	VHSGUFHJGRBUHP-JMIUGGIZSA-N	645.238	6.201	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408746494	ZPQUKSGFRCNRIM-UCQKPKSFSA-N	653.314	7.730	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NCc1ccccc1	408747499	OVIMCVKLCKKQEB-GRSHGNNSSA-N	516.222	6.558	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)ccc1I	408747530	PGVVKRAUNBZKFU-KKMKTNMSSA-N	569.226	6.258	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408761897	HTEIUXFPRIFBDF-OVCLIPMQSA-N	592.811	5.333	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408763277	IQFNTZVEWMOXGF-GDNBJRDFSA-N	548.360	5.224	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(I)cc1	408781124	AAZUOIRTYMEMIQ-OVVQPSECSA-N	595.890	5.297	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408798234	VKLPXCRWAGZGKB-YBFXNURJSA-N	574.700	7.552	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	408805305	FZVSTJAXGVRDNJ-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408823194	MZJOKBKUUFCVKX-UXHLAJHPSA-N	531.634	5.060	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408825979	BVSVDWKOXTZUJO-QNVXDBMFSA-N	725.876	7.727	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408835203	NDBZNVNKQJKRCV-MJXLXAJKSA-N	633.048	5.740	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccccc2Cl)cc1	408837944	PSKMQHNDONQSMW-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(Cl)cc1	408840625	DRZCFWAQNVJNRZ-IIHBXENTSA-N	653.908	7.602	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	408848297	VQDHHUOCINUBMI-VTNSRFBWSA-N	590.861	6.646	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1O	408849289	ZILDXNKXPBJCLL-KKMKTNMSSA-N	513.406	6.339	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1Cl	408851404	YUEKZFQTCUQWTE-UVHMKAGCSA-N	537.241	6.889	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408852058	HLCODLJRHFPCRS-JAIQZWGSSA-N	599.312	7.091	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408855765	DHZYWOKZCDQQTQ-JEPNHJGPSA-N	618.542	7.071	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(=O)(=O)c1ccccc1	408861211	PMYUDHHMQVHQFK-MWBNBJEGSA-N	721.457	7.088	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cc(Br)ccc1O	408866664	HRQMRSKNDGCXST-GATIEOLUSA-N	583.074	6.023	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	408871548	YUTVMTQYMXHAMJ-JJIBRWJFSA-N	536.553	8.445	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(C(C)C)cc2)cc1	408872086	KFBLASUSQVXHSQ-QXUDOOCXSA-N	590.145	6.696	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)cc2Cl)cc1	408882364	QXGANUDMRYGPSK-SFQUDFHCSA-N	558.759	5.718	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OCc1c(Cl)cccc1Cl	408887648	QBOCNUWJUPRRCY-MWBNBJEGSA-N	585.572	7.965	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OCC	408904291	HNMDJTKGJVOPHE-FMCGGJTJSA-N	558.214	5.481	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2OC)cc1	408921600	BGXARGJFOHNWKQ-FOWTUZBSSA-N	533.389	5.324	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	408922069	CYUYNIANJAIXGH-XSFVSMFZSA-N	513.937	6.535	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c(OC)c1	408949062	DRJVQOHWDUXLFJ-PDQWDMBESA-N	809.306	6.282	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)c(OC)c1	408950872	HSSUZKQWFAXYQN-OLDUKCEXSA-N	655.535	5.610	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(I)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408955640	XYTFLEDKASRNBY-CLTKARDFSA-N	511.928	5.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCc2cccc3ccccc23)c(OC)c1	408957183	SSFJXWXRLLEXQU-SFDGNUHUSA-N	778.600	5.761	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408973158	ZGVACSBPTZMIHP-RNWXLMEFSA-N	584.500	5.602	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408982333	XQXZJYHVNNATNT-VVPZTHSTSA-N	527.624	6.430	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccc(Cl)cc1Cl	408987712	GKANRLSTJATDOE-CIAFOILYSA-N	541.862	7.817	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	409006853	RBQMURHEQYUSOQ-GOEQXXANSA-N	554.986	5.951	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409016766	VPUGIWXTJKWQLQ-ALQBTCKLSA-N	553.659	5.650	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409024641	LURSAICIHFNHQI-WKULSOCRSA-N	567.882	5.206	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)o2)cc1	409026500	QVABEJFFHKQAFB-NIKULWCKSA-N	575.643	5.220	50	40	KKGB	
CCOC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2OC)cc1	409031781	BCZHELZIYJPBLW-XICOUIIWSA-N	559.622	6.430	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1	409040023	FFWRXKUNMCHLLQ-CPNJWEJPSA-N	505.958	5.310	50	40	KKGB	
CC[C@H](C)n1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc23)c2cccc(C)c21	409048427	WNCUFYJODXYLGC-BLRUWBNVSA-N	523.080	8.170	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409067728	PPHSBHWSEDBWJF-XNTDXEJSSA-N	562.785	5.324	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409083383	SPLBBZHOKLWYNP-LICLKQGHSA-N	611.361	5.789	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C2=C1CCCC2=O	409124988	CZKIGAPLAWOFFT-AREMUKBSSA-N	514.423	5.911	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(F)cc1	409163583	UMASBQLXZBMKGG-MUFRIFMGSA-N	542.405	5.435	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1	409168642	NKRQAMXSZSRRAT-MHDJOFBISA-N	629.939	5.409	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409221737	ANOMEFPXNVAIJN-MHWRWJLKSA-N	555.772	5.574	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2)c1	409227959	YCSOLFCBESFXKM-XHUYUCAKSA-N	568.427	6.084	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)c1	409249030	GHHHOHZZZILWIA-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409254729	IMSMHZNLCINWGU-YLQRHQPKSA-N	590.518	5.967	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Br)c2)cc1	409255731	MVBMEJRQDHJDCE-PDGQHHTCSA-N	568.811	5.452	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409262814	HQEDUUFVMWJXNN-AEVGBRMKSA-N	698.643	8.031	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	409269399	ISRNYUZPLVOKSE-OJYCWLPVSA-N	646.538	6.607	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)ccc1OCc1ccccc1	409310636	BRLJUOKSEUBCLJ-DLCNMLRHSA-N	628.350	8.077	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)ccc1OCc1ccccc1	409327893	XTFFMNRQWMXKHG-OHUYPAJKSA-N	549.454	7.314	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)ccc1OCc1ccccc1	409369940	HYQOUMCRUQXTOI-HQDYHJHZSA-N	576.024	6.238	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Br)cc1	409370673	CCCCNOHZKKHDEO-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409395120	KCQDCVXFSBUNPE-UHFFFAOYSA-N	553.405	6.996	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(OC)cc3)c(-c3ccccc3)c2c1	409395279	LXDRGWKPWQVIQQ-UHFFFAOYSA-N	612.480	6.988	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)cc1OCC	409395338	MKDJIZANTVGWGT-UHFFFAOYSA-N	769.874	8.802	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395624	PYIIBJUJXRGLNC-UHFFFAOYSA-N	630.398	6.331	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409396343	XVKQJWIQXJRAOS-UHFFFAOYSA-N	799.528	10.066	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409397507	KOMBMHYODIZXLA-UHFFFAOYSA-N	616.855	6.963	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)c1	409398144	RDNHDUKYGARHKZ-UHFFFAOYSA-N	568.427	6.589	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc5c(c4)OCO5)c(OC)c3)c(-c3ccccc3Cl)c2c1	409399005	XHXSFVUZXCWHMU-UHFFFAOYSA-N	612.038	6.607	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(Br)cc1	409405670	UMJKFPJSLRIXJW-WBIBEUCMSA-N	658.549	7.389	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)o2)c(Br)c1	409409071	MMYLZJIBCIOUTL-KYHGBAKBSA-N	572.459	7.361	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1	1529544196	ACPLSVPJWFPGAG-LNZKYNOCSA-N	702.027	5.575	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)ccc1OC(C)C	2195690	WFDNEYKNCWHIAW-MUFRIFMGSA-N	536.057	5.626	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1	2221886	WDEFUQCNPONWGR-LGJNPRDNSA-N	527.831	5.044	50	40	KKGB	
Cc1ccc(O)c(C(=O)[C@H](Br)[C@H](Br)c2cc(Br)cc3c2OCOC3)c1	2300474	RICORXCBDXQHPC-HZPDHXFCSA-N	535.026	5.412	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	3990180	JYOQCYKHHYMIBJ-AREMUKBSSA-N	515.591	5.248	50	40	KKGB	
CC[C@]12C=C(S(=O)(=O)c3ccc(Cl)cc3)[C@H](Br)[C@@]1(C)C=C(S(=O)(=O)c1ccc(Cl)cc1)[C@@H]2Br	4277139	GBBGNNCYWHQNMX-MYDTUXCISA-N	655.257	6.966	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)cc2)cc1	6166437	UORNLKVOFKYBPL-PXCUGIRXSA-N	514.651	5.182	50	40	KKGB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	9164770	SJTCDLHZSZFKSG-XYGWBWBKSA-N	506.052	6.643	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC	13174423	MEYWUAHAWUQOKJ-AREMUKBSSA-N	517.651	5.449	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@@H]1c1ccccc1OC	19901130	GKMXMXOFDMYGNM-SANMLTNESA-N	503.624	5.109	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3OCC)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	33354535	SDYVNNOLRDOOGI-PMERELPUSA-N	568.699	6.191	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	59885718	FJVOMWAMEPDJST-IBBHUPRXSA-N	606.966	5.873	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	98000178	UMAOTJJAOGRUHJ-HSZRJFAPSA-N	559.913	6.756	50	40	KKGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1	98001715	KFSQNBTYNVBWMZ-VPUKRXIYSA-N	672.555	5.727	50	40	KKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5Cl)cc4)CC(=O)N3C2)cc1	98048455	DWUWTYMWUYOWAW-HHHXNRCGSA-N	544.120	7.481	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C)S(=O)(=O)c1ccccc1	100123309	GTCRPTWGVNXTON-DPNNOFEESA-N	568.621	5.767	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccccc2F)cc1	100124046	FDLUGFQGPLDXRA-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)c1	100124874	AKLMHLKARLLDTJ-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303179	JLYRLYSRXNFRFT-KCSSXMTESA-N	595.121	5.419	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	100336269	NIVSPWZQWMSKEA-MFOYZWKCSA-N	542.773	6.144	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1	100891818	KIOICZFXGIZPIR-IVYNLYIOSA-N	538.854	6.167	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccc2c(c1)OCO2	100935157	AAVHDAGBXWGPFM-ZYKGYMJWSA-N	576.008	5.035	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	101304920	QPLYKTIBUPJIKV-SANMLTNESA-N	529.061	6.661	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@@H](C(=O)c3cccs3)[C@@](O)(C(F)(F)F)N2)cc1	102139606	UFMMRSSYTRVQDT-NLJOTIRTSA-N	622.090	6.344	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	102810271	VKNKKNNVTGKORW-YTTGMZPUSA-N	574.681	7.258	50	40	KKGB	
CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528315	ZANMBCLWKBTGQM-LBPRGKRZSA-N	514.254	8.179	50	40	KKGB	
C(=C(\N=C(/c1ccccc1)N1CCOCC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1	104167283	SYLVMIYJIQAHIC-HLRYBCRTSA-N	553.666	6.758	50	40	KKGB	
O=[P@]1(Nc2ncccn2)OC(CCl)=N[C@@H]1c1ccc([C@@H]2N=C(CCl)O[P@]2(=O)Nc2ncccn2)cc1	105428402	XOXNHNUFOLUVLI-JUBFZTNRSA-N	567.270	5.209	50	40	KKGB	
CC(=O)Nc1ccc(-c2cc3c(c([P+](c4ccccc4)(c4ccccc4)c4ccccc4)c2O)[n+](=O)c2ccccc2n3O)cc1	137297358	IZGRRPMWMXAHDS-UHFFFAOYSA-P	623.649	5.897	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	150364178	SOZXYUUTLJPPMC-KVAAJVFYSA-N	707.430	7.052	50	40	KKGB	
C=CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](CC=C)(O[Si](C)(C)C)O[Si](C)(C)C	196841821	YGUCZQMMNLRQFO-UHFFFAOYSA-N	511.077	6.659	50	40	KKGB	
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/C(=O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	198237944	OOEFJWPTKXCMDU-YLCCTIMZSA-N	639.126	11.358	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(C)c1	216040861	AYBYYQFWELWEQI-ULPWCQAASA-N	599.150	7.407	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](O)[C@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C	253617288	HFSJNSPDLDRBFD-DHGUYGTBSA-N	599.603	5.442	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408526280	BKUGJNPBKFEDAB-QFDQHJFZSA-N	713.663	6.709	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2OC)ccc1OCc1ccccc1	408538742	QBMTUIIQMJJXIX-ZVHZXABRSA-N	571.029	6.766	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(OC)c2)cc1	408539579	XSEGWXIIRMVCGJ-WPWMEQJKSA-N	657.561	7.959	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552046	ROPPZHFOISDXSP-VCHYOVAHSA-N	508.430	6.930	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408553341	OCFWVWUVUWGJTA-BCHBDCPOSA-N	555.643	6.191	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc([N+](=O)[O-])cc1	408569237	ZQTJEHMLWWZYSF-KALUYTGESA-N	696.066	6.454	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1	408570630	XHAURTPYFNNUJX-VFLNYLIXSA-N	595.943	6.828	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	408585127	ARDDNARCHXIZBV-NVMNQCDNSA-N	582.119	8.560	50	40	KKGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408611043	PPDZMROQZCHSMC-XODNFHPESA-N	535.225	5.101	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408639839	GIUTXKKYMKMQAI-VCOUNFBDSA-N	517.384	5.058	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408641047	JHHZOOUQHVRSGM-YCAMKHIRSA-N	702.783	5.721	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408642214	DSUVSUMIOUKCLQ-XLABPTFOSA-N	673.185	5.409	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]21	408658992	VJQVGEQOMUNLAP-NCCCEKOESA-N	551.829	5.567	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408677651	UBONCLQOKSJJLK-MUFRIFMGSA-N	542.861	6.054	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)ccc(Br)c1Cl	408683571	IJMWDZODUADGPA-LMSBXDPUSA-N	602.696	5.321	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	408710665	DDYAUXMRXSPMAG-MZJWZYIUSA-N	521.371	5.441	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(C)cc1	408712050	XIBXGVJUJKCPMV-MZJWZYIUSA-N	593.259	6.104	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1	408761259	DJYUIUXOEFDUGH-MHWRWJLKSA-N	500.769	6.210	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408768725	INHNEQNZXYBCSM-WPWMEQJKSA-N	520.438	5.046	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2I)c1	408791025	SMCFBPLGOHURRA-DJKKODMXSA-N	668.700	7.291	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(C)cc1	408795919	NPDYWBUTXPOFAM-WPWMEQJKSA-N	644.509	7.702	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1	408818392	NZOHVCCJYPFSIP-OCKHKDLRSA-N	621.244	6.004	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)Cc2ccc(Cl)cc2Cl)cc1	408823445	FJIFCICGSFKXBV-DMWKKASYSA-N	668.386	6.682	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1cccc(Cl)c1	408835348	WPAUACXKHXMKQD-ZVHZXABRSA-N	743.823	8.809	50	40	KKGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408838189	SHJXVFYYCOTBDF-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1	408850498	ODGASJBEOYRGEC-ZYGWBPEKSA-N	560.075	6.108	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(Cc3ccccc3)c3ccccc23)cc1	408851328	XVMQPCJIPPJTBM-QHDYCIAZSA-N	508.625	7.220	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1Cl	408851469	ZSADYTXZAZVAKA-DBSPGSINSA-N	598.530	8.501	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408855625	HJFGKBAWRMFOSP-KKMKTNMSSA-N	506.227	6.716	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cc(C)cc(C)c2)cc1	408856853	FBJBXKZMDIKBQP-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)c2C)cc1C	408870924	XMAARMYFXBFSEB-XKJRVUDJSA-N	558.491	6.222	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)c(OC)c1	408874391	AWNDWKVAWZYYSA-SSDVNMTOSA-N	598.437	5.428	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408881141	IDRSTIWFEXAHSN-MZJWZYIUSA-N	550.678	6.527	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccc(C)cc1	408889719	GCSXDQBRIGEBSW-VXLYETTFSA-N	649.177	7.724	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1Br	408892534	BWEZASDOSWNQHV-CIAFOILYSA-N	584.308	7.352	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OCC	408895603	LOQFVZCKWFGMMU-MDWZMJQESA-N	531.177	5.941	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(C)c1	408921961	CVHPIRYLLDXUMA-VULFUBBASA-N	512.360	5.407	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2Br)c1	408924650	PUIUGWTXEQLCRH-BRJLIKDPSA-N	547.203	5.771	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)cc1	408927104	ZQAJCJRTAKSHAT-LFIBNONCSA-N	547.814	5.424	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCc1ccc(Cl)cc1Cl	408943300	HMKDJPKXIPITCA-NDEPHWFRSA-N	783.472	6.071	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1OS(=O)(=O)c1ccccc1	408952930	LAUWYEILFYQPIY-TWKHWXDSSA-N	530.602	5.196	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(OC)c1	408956985	SCDUIEKJNQAPAU-MOEPSENCSA-N	685.959	5.410	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408963435	BPTWGJNZACRERT-DHRITJCHSA-N	541.301	5.289	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc2)cc1	408980467	RDKSQIRYPDOTGM-NGUGDGFLSA-N	593.547	5.725	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1cccc(F)c1	408982640	IRQHXLNBXGOZRW-OCKHKDLRSA-N	590.820	6.916	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408996335	DCMXAHAGIRACAM-LGUSAWBASA-N	814.006	6.227	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1	409015317	ZNAWNBKHQWFFJL-RPPGKUMJSA-N	561.230	5.007	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc(Cl)ccc2o1	409016727	HDDHNGRIQGOSRV-AQLQTECXSA-N	612.705	8.107	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409035022	ITGQSECMISOLCL-MWBNBJEGSA-N	549.461	7.976	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cc([N+](=O)[O-])ccc1O	409046266	JTNQSOSMXFDAGR-KIBLKLHPSA-N	583.620	5.822	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1	409053940	DVIZCELTIFWDGV-LDADJPATSA-N	620.319	6.232	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	409070811	ZJKBVNOFENQEEI-KGENOOAVSA-N	523.010	5.699	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1	409074013	JLSHHJXBYNPNMX-FOWTUZBSSA-N	547.814	5.424	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409082138	PIVVMKRTKOXZNV-OVCLIPMQSA-N	645.322	5.752	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)cc1	409144733	GILRMEPJILTEBC-HSZRJFAPSA-N	589.861	5.652	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1C	409157825	WLQPIWMGZVWAMK-ATZGPIRCSA-N	609.521	5.064	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409224286	KRXUJDJTNIDHRE-UHFFFAOYSA-N	711.279	6.263	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409225029	NYSSNLHQSRUVHM-MHWRWJLKSA-N	511.321	5.465	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)c1ccccc1O	409226880	WBBCHRDTXUJJJN-ZLGJVAIHSA-N	582.443	5.666	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409229864	VOFCRGJVFFNFSQ-JCMHNJIXSA-N	509.831	6.337	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1cccc(C)c1	409232428	HQOOCSZCFPGUGB-DEYGKZMTSA-N	566.439	6.362	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409242415	USOUQXIFAUDHKY-APSNUPSMSA-N	536.293	7.045	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)c1	409248901	HTPITAAXFJANJF-VCHYOVAHSA-N	601.270	6.531	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1)Nc1ccccc1	409249420	IDXBVSVYUDQSOT-MZFJOGFUSA-N	547.640	6.335	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409261967	FRAAXOASVMTJMV-LPYMAVHISA-N	518.013	6.227	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)c1	409268054	YZOOFZCFFDNLDP-XJECJHNESA-N	630.557	7.950	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)ccc1OCc1ccccc1	409309133	BYYMIBFATYVONW-DLCNMLRHSA-N	656.346	7.671	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409321155	GTXDDCRFYSYELL-MNDYBZJGSA-N	547.486	5.976	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1OC	409323660	OXSYWGCAHVEJKH-NTFVMDSBSA-N	527.415	5.598	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(OCc2ccccc2)c1	409370938	FGTLWNXUMSTRMO-CAQPMQTCSA-N	626.960	6.023	50	40	KKGB	
COc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)c1	409373616	WNJMHBJBNCJWMD-WKIKZPBSSA-N	585.307	5.106	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])cc2I)cc1	409374023	XXGVIBMHSDVBMM-ZMFRSBBQSA-N	655.230	5.384	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OCc1ccccc1Cl	409381729	NBYQYUXWJNFJRO-JAIQZWGSSA-N	575.834	6.018	50	40	KKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409383741	DKGQMTZFDDRFNZ-PCLIKHOPSA-N	508.628	7.936	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409394405	ABCTURRSVPEZJI-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)cc1OCC	409394626	CYDFVUMNUISVPD-UHFFFAOYSA-N	739.848	8.794	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(OC)ccc(Br)c2c1-c1ccccc1	409395086	JRRVHKKEXLGMKN-UHFFFAOYSA-N	711.794	8.014	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409395940	UGFRGELWMJGVIP-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(F)cccc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409396695	AEOXOIDIVLHBFZ-UHFFFAOYSA-N	630.028	6.553	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397622	LZMAVRHEXUMCJQ-UHFFFAOYSA-N	663.899	7.393	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3ccccc3C#N)o2)cc1	409402410	KCBIHEXFEYHLFL-WBIBEUCMSA-N	579.056	7.134	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc2c(c1)OCO2	409402742	KVIZPGSJFMZFIM-WBIBEUCMSA-N	607.663	6.736	50	40	KKGB	
COC(=O)[C@H](C)n1c(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409404574	QHIIQALIODPDQF-ZLXBOJCZSA-N	552.631	6.027	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3cccc(C(=O)O)c3)o2)cc1	409406001	VQRBLFIJYGOPIU-QJOVZPHJSA-N	606.679	6.373	50	40	KKGB	
CCO[Si](OCC)(OCC)[C@@H](CC)N([C@H](CC)[Si](OCC)(OCC)OCC)[C@@H](CC)[Si](OCC)(OCC)OCC	409418447	AZWJUPOOZZRWNW-GMQQYTKMSA-N	630.057	5.387	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)ccc1OCC(=O)Nc1ccccc1	873375	KKLZQZXHCTUTTG-NDEPHWFRSA-N	525.992	6.128	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	1250120	MWGQQEXFYLPDMJ-AREMUKBSSA-N	514.676	6.072	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3OC)NC3=C2C(=O)CC(C)(C)C3)cc1	1472096	FSRRIGPYUDXAHJ-VWLOTQADSA-N	538.069	5.794	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3c(F)cccc3Cl)cc2)sc2c1CCCC2	1785610	QTLPUELDYGHTHD-MUUPNBPSSA-N	572.058	5.766	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(C)n1-c1ccc(I)cc1	3292804	CCBRAVCCFFFFNP-WKULSOCRSA-N	554.407	6.009	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667556	MWZTZVKFAIUFTG-QHCPKHFHSA-N	536.097	6.398	50	40	KKGB	
COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](OC(C)=O)(C(=O)C(Br)Br)[C@@]3(C)C[C@@H](C)[C@@H]21	4288080	CQPHZFNOXSLULF-UCFWQONGSA-N	542.308	5.784	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OC)c(OC)c3)cc2)sc2c1CC[C@H](C)C2	6167142	GUZFOQPHPLHGIU-FZRIXYKNSA-N	593.702	5.237	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	6445714	JVOXJBSAUYYKES-IRFILORWSA-N	549.863	7.638	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	8403115	PQWOITUVRYSKMY-GVLKINGZSA-N	569.455	6.133	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1	9019007	KMICNEHTFXUPIS-MFKUBSTISA-N	500.715	5.950	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3F)=C(C)N2)cc1	9076392	XWFFWGYLLXGNCJ-VWLOTQADSA-N	503.555	5.378	50	40	KKGB	
COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1	9272382	NPARJZUUWNBRIG-AWRNBQGKSA-N	510.063	6.020	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(Oc3ccc(Cl)cc3Cl)nc12	9345210	UMIKLXQFVROSKW-XMHGGMMESA-N	519.388	5.368	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccc(C)o1	19904976	QNYPHENLENMMRS-AREMUKBSSA-N	514.607	5.303	50	40	KKGB	
N#CC1=C(N)OC2=C([C@@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12	33355742	RVHXSUINSRTPCU-JOCHJYFZSA-N	527.499	5.371	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	58917153	GYMBMQSAEYUVIX-JYDUPNLESA-N	502.083	7.188	50	40	KKGB	
O=C1OC(=O)[C@H]2[C@H]1[C@@]1(c3ccccc3)O[C@]2(c2ccccc2)c2c(Br)c(Br)c(Br)c(Br)c21	82182213	BGYCSUWVTBUNEJ-TVKIDPOGSA-N	683.972	6.583	50	40	KKGB	
N#CC1=C(N)n2c(=O)s/c(=C\c3ccc(-c4ccccc4)cc3)c2=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1	97958608	QZTVGNJOTZNUQS-SSZLPGGOSA-N	534.644	5.195	50	40	KKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)cc1	97961756	YUQWKSYDRDPHEA-MSYPBOOISA-N	529.420	6.264	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(Cl)cc3)=C(C#N)[C@@H]2c2ccccc2)cc1	98048551	FTSMKMLJLIFWLF-NDEPHWFRSA-N	587.101	6.223	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)N2)c1	98048631	DJQKVZQGWGDVRK-RUZDIDTESA-N	603.022	6.667	50	40	KKGB	
OCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100046943	JOBQGMQWGMDRPL-BYPYZUCNSA-N	518.051	5.301	50	40	KKGB	
Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1Cc1ccc(Br)cc1	100063581	GISSJIQLSFGZGB-RWPZCVJISA-N	539.271	6.216	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	100123544	NXFHHHLCRUQHPA-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)NCc3cccnc3)o2)cc1	100219036	XHNCYLPVTXXTNA-UCQKPKSFSA-N	595.508	5.904	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c(OC)c1	100853188	SHBBRYFXLNFRBM-MNBJERMJSA-N	543.693	5.800	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1	100860775	JKUSIKXGHYEEBT-UTDQILSNSA-N	528.848	6.712	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	101080869	JYPHNDARIAPZRE-RMWKRFJVSA-N	505.709	7.484	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl	102717958	WWAVRFPTDKMWJH-NDEPHWFRSA-N	559.091	5.733	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	103895128	MFOGZBVARKOFQS-BIZUNTBRSA-N	606.542	5.991	50	40	KKGB	
c1ccc([PH](Cc2ccccc2C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104048756	AVJCQNVMVDLXPS-UHFFFAOYSA-N	630.752	8.139	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341843	JWNFFIOLMGMTMK-IBGZPJMESA-N	962.492	15.357	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	169795493	QWCAFBFEHOLPAC-SZPZYZBQSA-N	698.396	11.520	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Br)cc1	408530729	MPHIAHZVOXSLQF-ODLFYWEKSA-N	639.125	7.858	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408544783	XIVCGASTIPUZIK-KCSSXMTESA-N	586.601	5.327	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c(C(=O)OCC)c1C	408546371	IMSJXDGRQWISML-OVVQPSECSA-N	580.706	7.203	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c(C(=O)OCC)c1C	408546851	OLYFNQGFXIRCAB-XQNSMLJCSA-N	554.668	6.440	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1nc2ccc(F)cc2[nH]1	408570851	ZINBBCVQTMFIJQ-CHHVJCJISA-N	655.636	7.208	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(OC)c1OCc1ccc(I)cc1	408607680	UHEMOAIFEDXGQL-OEAKJJBVSA-N	575.450	7.165	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408638948	DRXAXBJTHKRTAM-ZYGGUILKSA-N	662.118	5.064	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408642700	NTZUBHQLIHJXPC-FKHNRKFTSA-N	665.593	6.197	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408711969	SUHLAZGAINFWSH-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)ccc1OCc1cccc(Cl)c1	408725184	DDXSJNKRTZKYCH-UZWMFBFFSA-N	578.090	5.907	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(I)c1O)C(=O)Nc1ccc(Br)cc1	408742594	BFWNZVSWDODYAP-BJMVGYQFSA-N	547.972	5.067	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)cc1	408745218	QIUYDTCSLDUERK-JAIQZWGSSA-N	540.255	6.953	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)c2-c2ccccc2)cc1	408746401	SMFQJXIBWLUYTD-JBASAIQMSA-N	551.646	7.842	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc2ccccc12	408760330	WTLBAKFIBVIRNF-KZYYCBDDSA-N	587.742	5.969	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)Nc1cccc2ccccc12	408763003	QTOGRZASABLRPT-XSFVSMFZSA-N	516.384	6.710	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(I)c1OCc1ccc(Br)cc1	408780450	YVRGGGLIBDOWRX-JCMHNJIXSA-N	674.377	7.423	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408787767	FYQDIVCLLHSESP-VXLYETTFSA-N	613.364	5.119	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(I)cc1	408791952	FQTAADQDWIOCMZ-HYARGMPZSA-N	552.412	6.431	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c1C	408799667	HJPJQWOAOSPBDW-HYARGMPZSA-N	501.413	7.888	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1c(C)ccc2ccccc12	408803054	KTSYSZZHHGLTIA-CIAFOILYSA-N	619.415	6.794	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O	408808114	FBEXIIYIMJVEPN-VZUCSPMQSA-N	517.548	5.267	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)c4ccc(C(F)(F)F)cc4)c3C)sc3c2CCCC3)cc1	408813981	GHTFISWPZMDFFH-ULJHMMPZSA-N	559.657	8.678	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc(C)cc1	408821738	KAZVTTFOEQXHFL-OGLMXYFKSA-N	658.536	8.010	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccccc1	408827531	KIGUWXMVQWVXHG-OCSSWDANSA-N	518.038	5.246	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408828481	MYQPFJLDCKPIDE-IZYHBKOJSA-N	719.485	7.560	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408833066	ZCQUOUSXBQWYAB-SBWWSWLISA-N	728.893	5.680	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1	408848387	WAUZOZALEHQMFG-MWBNBJEGSA-N	617.558	8.602	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccccc1F	408848723	YAIPWJCMPUCCEL-IIHBXENTSA-N	637.453	7.088	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408850218	ILWDTSNUBIRLBC-LZYBPNLTSA-N	505.760	6.919	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408852994	OXVOYTKTNSBLEE-OPVMPGTRSA-N	558.610	5.317	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408856373	GHKYCYOWPYNTPD-RQRWGXNHSA-N	733.512	8.121	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(I)cc1	408859806	ZFHGDICPOLURAO-MWLSYYOVSA-N	566.395	6.117	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cccnc1	408866132	FVWMSXATTCONFB-MRUKODCESA-N	523.612	5.603	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c2ccc(C)cc2)cc1	408876796	NYEFTSZIIUVSQA-QNKGDIEWSA-N	587.698	5.327	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	408877156	QHNXUQDDRHTCIK-XSFVSMFZSA-N	517.463	6.891	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408880836	JACNWXJSHFBTQI-LDADJPATSA-N	576.790	6.929	50	40	KKGB	
COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)ccc2OC)cc1	408888992	AIGHRMAUESTFHV-QGOAFFKASA-N	507.340	5.231	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408890138	OMUHHAPLIFLGDF-LICLKQGHSA-N	535.747	7.246	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc(C(C)(C)C)c1O	408892061	AJWVVNBXRUIXFX-HNSNBQBZSA-N	535.084	6.943	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408894512	JJIPMRDBZLYQDD-RPPGKUMJSA-N	527.813	5.495	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c(C)c1	408915226	YQXOLTCMUJEJHE-BIZUNTBRSA-N	545.477	6.971	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccccc1F	408924625	NHUJPFRCTHGFEL-YBFXNURJSA-N	543.820	7.073	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(OC)c1	408955369	OOLGYDKHCXVHSH-OYHJKUJTSA-N	678.573	6.034	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)c(OC)c1	408958076	XJANOGYMLQZHKH-ASODJSTMSA-N	685.561	5.700	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408972814	VVFXLDZDLGOAJL-MOUCIZBNSA-N	792.352	8.141	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCc1ccc(Cl)cc1Cl	408973915	CPRUVGBRPUNCCO-AIPAZZCXSA-N	587.285	6.462	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(Br)cc1	408983294	LFUMVVNLSWCEJL-YBFXNURJSA-N	604.726	7.697	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1	408983953	OVDVVRGIEKLARC-APSNUPSMSA-N	540.661	8.387	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)OCc3ccccc3)c3ccccc32)c1	408989736	LVLDPTFBDHAOIF-WGNYSBQHSA-N	548.647	5.017	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(I)c1O)c1cc2cc(Br)cc(I)c2o1	409012339	QPXQTQKXWOEGBS-AERZKKPOSA-N	645.416	5.527	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409027789	HKNTUOUVQGEDPP-NJZRLIGZSA-N	567.708	5.136	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409029794	BLVWDVOXCVUVAC-FZPRHHONSA-N	660.322	7.678	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1cccc(Cl)c1	409031531	HAWRPCJVAFTCDM-FABQOPTDSA-N	583.113	7.867	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12	409037393	CEIVNDBUFLFATB-ATZGPIRCSA-N	754.322	7.362	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1	409055821	FGDVJIKXKQFJKI-WKULSOCRSA-N	566.894	5.553	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl	409073346	YEHWRUCVNGBHQU-NTEUORMPSA-N	631.129	6.832	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1	409086263	YVTYVLKAMLYZOM-MHWRWJLKSA-N	522.857	5.281	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c1C#N	409089404	IGJKAMGVEWXKSV-CAHBVUMWSA-N	825.239	6.641	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1Cl	409122866	CBIQMYVOGSJHET-RWPZCVJISA-N	550.464	5.131	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(C)cc1	409123069	DOBHSCGYYWFFCJ-DEOSSOPVSA-N	507.384	5.659	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	409141876	KLUSPIQDCRPMIC-KCSSXMTESA-N	689.959	5.878	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4C#N)c(I)c3)cc2c1	409187660	SXEWSIIKEJXGQN-CPDSRJINSA-N	691.263	6.255	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Br)cc1	409200940	KNRRKPOUTQLMJK-KKMKTNMSSA-N	554.293	6.586	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1ccccc1O	409217574	DHUKRGCYTVCHDM-TYRBNLMUSA-N	563.613	5.512	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1	409218809	HGDOXYUFLUQKJN-MHWRWJLKSA-N	500.769	6.210	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409224883	NPFJWXFGICYEOX-CIAFOILYSA-N	595.437	5.788	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409225040	LRVFOPJOGIDGTC-UHFFFAOYSA-N	566.570	5.537	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)c1C	409225642	QJRAHCYMICLEIN-VCHYOVAHSA-N	617.725	7.045	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccccc1	409230382	CPSBTRBIOHMBOL-OJSPLJLUSA-N	553.356	5.563	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1ccccc1F	409232061	MUJWTEIHUUQLIN-KKMKTNMSSA-N	547.450	5.215	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409251145	OREFHMCQTKWDEK-FDVSRXAVSA-N	601.441	5.097	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	409261387	BEBKXGALWHQEBS-MFOYZWKCSA-N	525.348	5.773	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409267812	XTSVTYJPPUJKPU-NDENLUEZSA-N	629.882	6.523	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C	409268543	VMCUJQXKFPJCCQ-QJOVZPHJSA-N	619.747	7.351	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC(=O)Nc1ccccc1Cl	409273618	ZNWKDXIIVCVPQP-ZHZULCJRSA-N	533.968	5.088	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1OCC	409310579	VVUZUTJLIHFILP-MUXKCCDJSA-N	575.361	6.330	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409326109	GWWLVSALQTZKNR-FZPRHHONSA-N	609.904	7.042	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)ccc1I	409384408	CHUNMTADEVOQHD-ZRGSRPPYSA-N	577.444	5.110	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1cccc(C)c1	409385524	LBUHEJSQWFZICK-CCVNUDIWSA-N	615.449	6.464	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	409391647	KKVJFNQJZHFYRC-FJEPWZHXSA-N	567.281	6.506	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4cccc(F)c4)c(I)c3)[nH]c2c1	409392015	MVVPLWVOYFPGRY-APSNUPSMSA-N	651.217	6.563	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)cc1	409395187	KUDKNTGCCZHVPW-UHFFFAOYSA-N	548.986	6.352	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(N(C)C)cc2c1-c1ccccc1	409395574	PHBUFCBQECGMRA-UHFFFAOYSA-N	724.837	8.071	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397226	HPHYDZSVDMIRJA-UHFFFAOYSA-N	531.612	6.834	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409398914	WKNSLKAKLRAJAU-UHFFFAOYSA-N	571.555	7.154	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccccc1Cl	409400733	FGICICCICIGBLJ-AEUUOICLSA-N	629.069	7.179	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1Oc1ccc([N+](=O)[O-])cn1	409401893	INMFTLDOCFEUJA-BYDMSBDESA-N	739.377	7.659	50	40	KKGB	
COc1c(C(C)(C)C)cc([C@H](N[S@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)cc1C(C)(C)C	1857795053	JIJHYOCKCFKMDP-PSBPOGMQSA-N	613.848	8.190	50	40	KKGB	
CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O	2092413	BNUVYRKTNDTJFY-GOSISDBHSA-N	574.225	5.090	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C3=C(CCCC3=O)N2)c(OC)cc1Cl	2310203	COMJEYHLJWIJPW-QHCPKHFHSA-N	514.003	5.060	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)COc2ccccc2C#N)c1	3115355	SROHZKHCERIWFF-XODNFHPESA-N	571.225	5.140	50	40	KKGB	
COc1ccc(/C=N/NC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)cc1OC	3162794	FNQTUDGTHFVWBX-YSURURNPSA-N	528.241	5.190	50	40	KKGB	
Cc1c(C)c2c(c(C)c1NC(=O)CI)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2	5440599	KDVXZSHPUSXFLF-BVXAZASISA-N	597.666	9.508	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F	6177848	VYDOZGYPYOMBMX-DPNNOFEESA-N	568.621	5.843	50	40	KKGB	
Cc1c(/C=N\NC(=O)[C@H](NC(=O)Cc2cccs2)C(C)C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	8451668	JVVXPNPRHQEFJJ-QTAIGWCFSA-N	555.531	6.200	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)NCc3cccc(CNC(=O)NNC(=O)c4cc(-c5ccc(C)cc5C)nc5ccccc45)c3)c3ccccc3n2)c(C)c1	8454655	YLIWXPZSTQIJGA-UHFFFAOYSA-N	770.894	7.639	50	40	KKGB	
Cc1ccc(-n2nc(C)c(/C=C(\C#N)c3nc4ccc(I)cc4c(=O)[nH]3)c2Cl)cc1	96022104	DDOIEEOCONJJDW-NTEUORMPSA-N	527.753	5.048	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c1	97960789	LMSFLKXDSISSGK-UCQKPKSFSA-N	604.444	6.976	50	40	KKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(OC)c4o3)c2C)c1	97960809	LWLWOKPLQZSYCH-CCVNUDIWSA-N	538.398	5.552	50	40	KKGB	
CCOc1ccc2cc(/C=N/NC(=O)COc3ccc(-c4cc(-c5ccccc5)c5cc(Br)ccc5n4)cc3)c(Cl)nc2c1	97962736	TZRZQQDMMQLDCK-CHSHITCJSA-N	665.975	8.461	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1	97972336	WSBRTLOPWTVHTF-CJLVFECKSA-N	530.365	6.569	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)S(=O)(=O)c2ccc(F)cc2)cc1	100136609	UEOZEMBDXPHAHR-ZCTHSVRISA-N	531.609	5.059	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	100226358	YHAGOIBUWGPELD-NVMNQCDNSA-N	595.220	7.548	50	40	KKGB	
COc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)o2)cc1	100749056	GPHBSTSRDQGXKM-JDXGNMNLSA-N	624.701	5.755	50	40	KKGB	
COc1ccc(NC(=O)[C@]23CC[C@](C(Br)Br)([C@H]2Br)C3(C)C)cc1	100848674	DHJDHNVEPNKHMY-JLZZUVOBSA-N	510.064	5.320	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccccc1OCc1ccccc1	101366990	UYPWDSVTMJIPKH-ZPOUEADKSA-N	561.111	5.940	50	40	KKGB	
CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C(O)CCCC3=N2)cc1	102509168	CYAVHFDFIBSHBJ-VWLOTQADSA-N	501.564	5.259	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3nc4ccccc4s3)cc2Br)cc1	103571318	HRHCPTYTCZPJOZ-FOWTUZBSSA-N	527.421	5.899	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1F	103883519	KJRUUIDDERKTSM-JCMHNJIXSA-N	597.428	5.274	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc(F)c1	103890548	BMFOAQSPJFFFAV-MFOYZWKCSA-N	611.238	7.260	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCC(=O)N/N=C/c1ccc(F)cc1	104006635	KCJSBLITNZYZPP-NIVXUIPCSA-N	615.493	6.333	50	40	KKGB	
Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)sc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104407084	OMDAOXDFSXPWLD-UHFFFAOYSA-O	569.690	7.299	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccc(C)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709390	OEFZGKDIVJQCJO-CMXUDJMYSA-N	541.717	6.612	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(C#N)c1C	106096361	SPJIQYYFZGJLRN-DJKKODMXSA-N	539.440	6.709	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1Cl	107982106	DMLIBEHENCFIQL-KBVAKVRCSA-N	557.916	7.071	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]23)cc1	112254685	MVVJESAHXZSFRN-SJCRKPTASA-N	591.667	5.744	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccc(Cl)cc1)N2	229977985	VXGPQPGYHSWFFF-OMJUENHASA-N	513.446	7.489	50	40	KKGB	
CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CC/C(=N\OC(=O)C[C@@H]6SC(=O)NC6=O)C(C)(C)[C@H]5CC[C@]24C)[C@@H]3C1	245229466	YMOJHOVBTLWOMT-GEGKEXJZSA-N	705.756	7.562	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Cl)ccc1OCc1ccccc1	408537213	CYVJUCYYNQMYHW-QFEZKATASA-N	573.476	8.014	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2Cl)ccc1OCc1ccccc1	408537717	GZGSKOVNJQIHSX-QFEZKATASA-N	573.476	8.014	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Br	408538108	JDJYLZCVAGMWQQ-ZHZULCJRSA-N	592.328	7.283	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C(=O)OCC)c1C	408546730	OEZYLFWPLVMSCS-MHWRWJLKSA-N	546.428	6.696	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1nc2ccccc2o1	408550420	DTVJPHOUPMGZEN-VGOFMYFVSA-N	533.198	7.523	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550528	HRNFNEADJSIPPB-RQZCQDPDSA-N	542.875	7.583	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2Cl)c1	408570545	WPRGGUNCWCDZIV-IPPBACCNSA-N	547.529	6.889	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1OC	408580473	BWQOKYQGEYUDNR-CXUHLZMHSA-N	613.711	6.714	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408678440	ZDKCARQIKOXPSN-AJBULDERSA-N	528.609	5.665	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccc(Br)cc1	408719074	IJPVBCRSZNAVMS-GNUBZPRISA-N	576.450	5.416	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408724583	CAEAKFCDFYUKPF-IUXPMGMMSA-N	591.245	7.187	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)cc1	408747133	ZYEVVGANHNWUSH-ODLFYWEKSA-N	603.254	6.495	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408752597	INVJVKNQHZXDKE-ZSOIEALJSA-N	627.256	5.986	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1	408755044	PNOJNULXGGUJBB-ATVHPVEESA-N	623.266	5.676	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(Br)c2)cc(C(C)(C)C)c1O	408758953	VMAMODGOJROCEU-KCSSXMTESA-N	660.587	6.509	50	40	KKGB	
N#C/C(=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1I	408759663	JDJSWKHHLKAPFW-QNGOZBTKSA-N	580.403	5.758	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2I)cc1)C(=O)Nc1ccc2ccccc2c1	408760251	VLRFGSTWSIGRFP-PXLXIMEGSA-N	573.390	6.008	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1C	408789532	JWNNHAYYGPWQOL-ZMOGYAJESA-N	590.315	8.106	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408792385	AYPRRTPKZDOQGH-RQZCQDPDSA-N	580.693	7.933	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408792823	CKHUDIROBGDIIY-YBFXNURJSA-N	529.807	6.948	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc2ccccc2c1	408794635	JTZYVGAWMTUDCP-ZMOGYAJESA-N	622.890	7.930	50	40	KKGB	
COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408797275	RAWAPSHUGLJNKN-DEDYPNTBSA-N	521.367	5.126	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408797901	TVXPAXCNHWMPOL-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1cccc(F)c1	408799445	ZERFHIVBFDXPQJ-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1	408810657	MMYIDEJVROIIIB-XDHOZWIPSA-N	507.930	5.780	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408822927	CSGPHZFPWSRCRY-WSDLNYQXSA-N	672.790	9.122	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408837125	ZAUVPUGBZKJMOQ-JJIBRWJFSA-N	573.874	7.806	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cccc(C)c2)cc1	408837714	LYNHTCOZLMZMRY-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408844589	ULMIQWYYILDBIO-JJKQSNDFSA-N	579.431	7.484	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1cc2cc(Br)ccc2o1	408851462	KFHFKAAXGVZDEQ-DANHRZQXSA-N	587.084	8.152	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1	408854361	DFERMNCWVYPGED-SGFZWYBVSA-N	558.685	8.373	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc2ccccc12	408854705	BLPYYIXUYDVMKQ-ZMGVVAQMSA-N	577.862	7.744	50	40	KKGB	
CC/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)c(OC)c1	408856253	BQPZPZVTVJOGPZ-PJJLUWSFSA-N	587.698	5.652	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2cc(Cl)cc(Cl)c2)cc1	408859717	PVMJIKDQEOEBDR-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)n1-c1ccc(Cl)cc1	408861358	CIPOMRGNNJIUPL-IPBVOBEMSA-N	564.882	6.259	50	40	KKGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)CC1	408871163	XYWTZNGQDUATQK-UHFFFAOYSA-N	510.487	5.897	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/C(=O)NC(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C1=O	408872445	NKULSTCWUPLGAM-NJMBSEJZSA-N	625.660	5.745	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	408875699	KBVKGXNRULPFBQ-FYJGNVAPSA-N	520.938	7.945	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408876774	NOTFJYDZNKYCML-NVJOKUIPSA-N	556.671	7.151	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3Br)c(OC)c2)cc1	408878496	BKFWPYCMPDXEIV-XDHOZWIPSA-N	617.281	6.597	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OCc1ccc(Br)cc1	408879631	HGOVZFJUNNWPSL-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1cccc2ccccc12	408885625	DAYJTESFCCGVIW-HYARGMPZSA-N	527.964	6.925	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408891260	NROBXMFDCNHPRA-LFIBNONCSA-N	551.835	6.359	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OCc1cccc2ccccc12	408900829	XVHZQUYYPRAQGM-OEAKJJBVSA-N	622.890	7.930	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)ccc1Br	408905068	SQBXUBJQAAVISC-BCHBDCPOSA-N	630.562	7.671	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C)c(OCC)c2)cc1	408922887	HKFNXPAZHYHJDK-OEAKJJBVSA-N	610.448	6.300	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408947361	CELPOUCIBPTUMM-QFEZKATASA-N	629.352	7.691	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)c(OC)c1	408952440	KIBOTWGBQAUIPJ-HVJLQFNCSA-N	795.400	5.501	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)c(OC)c1	408958013	XDFHARZYABVVNG-MTYJQCMISA-N	748.574	5.752	50	40	KKGB	
CCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408969651	RMMBIWZVHHNVAG-NFUDAPNSSA-N	528.436	5.037	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1	408971674	LHGVGRGVSGNVKW-JRLKUCENSA-N	713.456	7.379	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	408980849	TVPPLSZEAVVBKL-FNLZXBKISA-N	561.392	5.629	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(I)cc1	408984429	QWKISPLSGXRVPK-ZDLGFXPLSA-N	684.699	6.991	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCOc1ccc(Cl)cc1Cl	409015926	PPHQJGCLXWPTSH-CUSSKCLJSA-N	606.550	6.972	50	40	KKGB	
CC(C)Oc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409036092	KMEXHMKGIBLXLN-WKULSOCRSA-N	567.281	6.978	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	409046045	IHGDHOSRLSTIBM-DEDYPNTBSA-N	564.436	5.728	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2Br)cc1	409049839	XZXDTHQJHKJMLE-MHWRWJLKSA-N	573.266	6.228	50	40	KKGB	
COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	409050210	SNTUWJYCTOXJGH-LELUDANCSA-N	596.470	5.969	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)Cc2c(Cl)cccc2Cl)cc1	409059115	PGZQOFMZIIUTAI-DPNNOFEESA-N	596.536	6.222	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409073797	IOQCGNBICDEINO-XNTDXEJSSA-N	585.785	6.435	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1	409080561	LPDDGOBDCREDNA-LZYBPNLTSA-N	639.222	8.093	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(Br)c3)cc2c1	409186827	IIMGLEGZHIBPQN-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1F	409217972	RVBBFNJPQKJULG-KKMKTNMSSA-N	537.838	6.072	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(C)cc3)cc2)cc1	409225225	NNUIBKBQKJHBMQ-MNBJERMJSA-N	536.544	5.447	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409266473	XBORHOMJMBPOHR-VXLYETTFSA-N	602.407	6.657	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409313513	QCCZUMCYLVBEEO-VQTJNVASSA-N	602.418	5.521	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OCC	409318765	YAOOYWRFYXDNNF-ACXHZZMFSA-N	602.913	6.380	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)ccc1OCc1ccccc1	409319231	CHXPPCMKFOHEQV-HQDYHJHZSA-N	579.531	7.148	50	40	KKGB	
COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2)cc1	409382443	MNKBMEXZYYLZMD-FABQOPTDSA-N	612.111	6.997	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409390992	GOUCBNKLJDXBCS-PPOKSSTKSA-N	528.612	6.952	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Br)cc1	409391730	KYVJTRZQMTYQMK-DXJNIWACSA-N	529.434	6.319	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)c1	409395049	JFUKJZFXHUUSNE-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398683	VEPZRTPZVMRIBX-UHFFFAOYSA-N	653.091	6.768	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4cccc(F)c4)c4ccccc34)o2)cc1	409402739	KUVLFZHZHBNEKF-WBIBEUCMSA-N	560.629	7.172	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(N)=O	409406508	WYXIGFYLKZEMGQ-DMWKKASYSA-N	643.922	5.709	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(Cl)cc2)cc1	935254	JQPUNENORBBQGP-YMGIJWJESA-N	518.982	5.622	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(Br)c2)N1	1296500	VPURYLDBJQJHDW-VWLOTQADSA-N	579.545	6.526	50	40	KKGB	
N#C/C(=C\Nc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2cc3ccccc3oc2=O)cs1	1900329	OXWBIDZHYZBFOB-YDYPUGOESA-N	503.889	6.399	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	3112652	RVFXUYOPEKWXOA-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
O=C(Cn1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c2ccccc21)Nc1ccc(F)cc1	4065300	BBWAUZVSQALDBP-IPBVOBEMSA-N	588.231	5.414	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)c(C(=O)O)c1OC	8396770	YDBOXDDDJKCETQ-GHEBUCJMSA-N	700.559	5.139	50	40	KKGB	
CCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	8449654	ZOTGJEMFGUOKSC-FCGDIQPGSA-N	529.269	5.379	50	40	KKGB	
CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc(Br)c1O	9693505	AENASOLQCMCHHE-SFHVURJKSA-N	514.445	5.390	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	59222123	WZBLQRROGXJOHJ-STBIYBPSSA-N	530.924	5.922	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OCc2ccccc2Cl)cc1	59646249	BIWCNNLYWVXXEF-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(\C)c3cccc(C(F)(F)F)c3)cc2)Cc2cccnc2)cc1	97981224	OLMPQDBQNJAOIW-XICOUIIWSA-N	596.631	5.654	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	100026681	BZDXHUPOXYVLHS-TYEQLBTHSA-N	569.709	6.457	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/C=C\c3ccccc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1	100137992	JKLPDUHNSFDVJJ-KRAOFYOPSA-N	533.013	5.712	50	40	KKGB	
COc1ccccc1/C=C\C=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3	100852533	YGYSWKMASDMTAZ-SHMLXBBUSA-N	544.702	5.551	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)cc1Cl	100864004	QFELVKJKWZCKDO-LZHZFTAVSA-N	524.045	6.867	50	40	KKGB	
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)c(C)c1	100928818	FJVPPSUHXRCNTB-XSFVSMFZSA-N	536.407	5.205	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1	100990833	QILXQJKNNNIWKP-HVBJHMBASA-N	587.326	6.499	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)N=C2CCCC(O)=C2[C@@H]1c1ccc(OCc2ccccc2)cc1	102521645	XOSXTPBYMKKGGJ-GDLZYMKVSA-N	556.087	7.560	50	40	KKGB	
O=C1CC(c2ccccc2)CC(=O)C1C(c1ccc(N(CCCl)CCCl)cc1)C1C(=O)CC(c2ccccc2)CC1=O	102609844	UEGFVCRBEYKJHF-UHFFFAOYSA-N	604.574	6.718	50	40	KKGB	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	102634105	ARVQVDZJCBAPMF-PWVSZXOPSA-N	581.345	5.587	50	40	KKGB	
CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528539	CAJXWFBOOLRHFV-INIZCTEOSA-N	620.369	10.375	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC	103901491	GFJLWQYSZRKVHP-STBIYBPSSA-N	544.073	5.100	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)[C@@H](c3ccccc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)[C@H]2c1ccccc1	104307860	ITPHRFCCQSMNNU-LOYHVIPDSA-N	618.828	7.899	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c1	104580746	VNFIYKDTPUDMGD-UVHMKAGCSA-N	533.806	5.471	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1	105586182	ADSRSAJLRAKSOT-HNSNBQBZSA-N	545.104	7.515	50	40	KKGB	
CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341305	CKUOKXONQDHEEB-ZETCQYMHSA-N	944.189	12.582	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(I)c1OCc1ccccc1C	150423634	SOPIBIYUVQOXJO-VXLYETTFSA-N	662.278	6.794	50	40	KKGB	
C=CCO[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1	239562594	FJPFNIPMJGTTMW-IZECYDSKSA-N	604.860	7.079	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Br)cc1	408531244	NPKVIDUNVYYRRR-ZDLGFXPLSA-N	578.098	7.626	50	40	KKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	408539815	JWFADTUQFFSJGG-HWIUFGAZSA-N	553.099	7.439	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	408540887	WTMRKUFZHKNBSG-SGFZWYBVSA-N	616.714	7.595	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1	408541268	YSEFNMIDNBCDMB-OJYCWLPVSA-N	595.493	7.533	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OCc1ccccc1Cl	408542398	IOQMWEWLDDGKRE-RGVLZGJSSA-N	583.857	7.480	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2I)cc1	408568547	KJDMXPVFRLTFMK-ZDLGFXPLSA-N	509.322	6.258	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	408580231	BHRGDMATWFXOMS-UDWIEESQSA-N	554.384	5.699	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(Cl)c1OCc1ccccc1Cl	408607674	NPCGZOCSQWFOBW-MRXNPFEDSA-N	518.372	5.216	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408650015	ZAHSISSDZSVWPX-TVFCKZIOSA-N	662.118	5.064	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1)NNC(=O)c1ccccc1Cl	408663246	HEVGVWBDPJPBLV-UHFFFAOYSA-N	560.006	5.399	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3C)n2)c1O	408725955	RAJPJGVKJVRFTM-UZWMFBFFSA-N	502.574	5.993	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(OCC)cc3)c2-c2ccccc2)cc1	408740315	BARNCLDYOKTMHH-BYNJWEBRSA-N	553.662	8.154	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408741501	MIRUCJOFNGXMRM-QYXAQCCZSA-N	660.601	9.860	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1cccc(F)c1	408742162	NNASLJHVLHGZGG-ZDLGFXPLSA-N	528.321	5.564	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408742762	SQULKSGFFGXGPB-SEBMTOOBSA-N	576.483	9.142	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1	408743086	DMXUJLUBHWKXRN-ZDLGFXPLSA-N	618.225	6.395	50	40	KKGB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)c1	408746170	BXIRKMPLRVJULA-WQRHYEAKSA-N	512.791	5.842	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(I)c1	408753057	LCHHKARVQIUPSX-MHWRWJLKSA-N	592.220	6.161	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408758274	IBBNVJNEWFTFEI-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408758954	VMNXKPXSDQSWEP-IAEWTUJKSA-N	680.643	5.076	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408761096	HTGXLXPFISBVKT-DHDCSXOGSA-N	535.214	6.863	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408772138	BLYAQGOANMAHFV-IPPBACCNSA-N	523.964	5.321	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	408772305	NWXOBHGNDTZHCM-RDRPBHBLSA-N	532.493	6.027	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408792313	AIZXRKQVIHUYIH-UDWIEESQSA-N	553.384	5.898	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1	408793889	GXELWNWPSZDBGP-RGVLZGJSSA-N	525.830	6.934	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCC#N)c(I)c1	408796702	PODNOOZRLGGVBJ-AWNIVKPZSA-N	556.585	5.464	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	408798100	UGHCGUOFWZQQEM-VCHYOVAHSA-N	604.682	6.776	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)cc1	408798722	WTOMZJVBIKVEIN-CIAFOILYSA-N	509.389	6.603	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccccc1Cl	408799485	ZOIOFPMGWWQRRK-LICLKQGHSA-N	513.775	5.941	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408806795	BHNYALHGGLILKH-MTJSOVHGSA-N	555.856	6.312	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc2ccccc12	408820514	YEWWREZNGKYPND-FZSDHLTPSA-N	705.596	8.952	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3CC)S(=O)(=O)c3ccccc3)o2)cc1	408829873	QXQTVZXKNIBIRW-AJBULDERSA-N	559.644	5.031	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(Br)cc4)c(Cl)c3)cc2)cc1	408835554	NUQCRPVABGOUQC-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	408838052	BRYJLZKWDXHWRA-KBVAKVRCSA-N	601.413	5.901	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2I)cc1	408839231	PCAIBWLNZCVUPE-KVAAJVFYSA-N	678.983	8.463	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408846792	RIEAUNBKTKFZFP-OKCVXOCRSA-N	533.053	6.853	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)ccc1OCc1ccc(Cl)cc1	408856740	DNKDEFIIPCGPSM-XZYGTATASA-N	701.039	6.743	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCC(=O)Nc1ccccc1	408860248	ZHCOTBCOVVRGGA-VVEOGCPPSA-N	616.483	5.224	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c2ccc(C)cc2)cc1Br	408863316	RBTJJUHGJUBJLM-ODQASSKESA-N	800.353	7.769	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408864653	XZNBJLXFNMLPLC-DPNNOFEESA-N	656.986	6.420	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408874651	CZURVNMCACKZCF-CAOOACKPSA-N	614.245	8.298	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccccc2Cl)cc1	408877458	RPZDOZXEHAOQGR-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408888321	ZBMQLCBUGCUMLB-RPPGKUMJSA-N	593.228	5.480	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1C	408894004	HZSXYCHHYLMHPD-UVHMKAGCSA-N	556.507	6.197	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OCc1ccccc1Cl	408894924	LCMZRNZRFZTYDF-WOJGMQOQSA-N	590.699	7.307	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408906867	DSDDYGTVHVUZNC-DTWZTBRYSA-N	537.447	5.804	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccccc1F	408926765	YHZSVLBLJVPAEG-OKCVXOCRSA-N	521.386	6.483	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	408954772	ZRFSLOCXFBFMBJ-WJOKGBTCSA-N	677.610	6.611	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)Nc1ccc(C)cc1	408956713	ZMLJDOQSMDZBJY-MUXKCCDJSA-N	536.382	5.294	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408971740	KNAZLGDGXGPEED-OECRFXDPSA-N	635.386	6.580	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408972178	NASJRUSIKUONAO-OTDPXCEBSA-N	619.332	7.205	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409005673	JJIXVISGCWWGMH-ATZGPIRCSA-N	616.954	6.567	50	40	KKGB	
COc1cc(Br)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	409020129	ZMDRTROONVINGH-DTCTZCCKSA-N	589.314	5.222	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)cc1)c1cc(-c2ccccc2)nc2ccccc12	409033526	FJYDCOGOLMFIGA-MZFJOGFUSA-N	583.429	6.849	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409039240	QZBKGBAMURZMBH-HZQMBONKSA-N	557.653	8.551	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1	409046441	KQCANKODCDUFLW-VCHYOVAHSA-N	588.227	6.262	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1	409065293	FPUMEFDCMGJJGM-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Cl)cc1	409107613	SNJQEATWSNDWJD-QHCPKHFHSA-N	541.785	5.637	50	40	KKGB	
CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409117415	NKUFLLDRJANZFS-ROTLSHHCSA-N	503.367	5.775	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	409118875	QOQQETUNGSJSOJ-YNCTYVJUSA-N	503.451	6.520	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409131506	JFJYVGHORFABAI-VWLOTQADSA-N	584.486	5.558	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C)cc1	409132702	LKSBVPWMTRUSJY-HSZRJFAPSA-N	509.400	5.550	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc(Br)ccc1O	409146693	SISNVPIYNBYYOR-NSKAYECMSA-N	711.519	6.360	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)o2)c(Br)c1	409157199	QIADIQXPSWITFZ-FBXLXJJESA-N	551.268	6.229	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)c3ccc4c(c3)OCO4)c3ccccc3)o2)c(Br)c1	409168670	NYZPXDAFKFQESW-ZLLCIIDXSA-N	560.404	5.368	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccc(Cl)cc1	409190099	WIWWSDWETRXDBZ-WQRHYEAKSA-N	503.824	6.046	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409213200	SZRBXKCHHIBKTC-OKCVXOCRSA-N	539.053	5.987	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409239902	OBVYJVJYGWRBDK-PXNMLYILSA-N	692.188	7.178	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409252161	CETZWFOGTKZFCY-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	409256289	NDOYYOKEDPGPTM-QDYAICPJSA-N	500.357	5.215	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)c1	409259881	GZDVFXRBNZSITB-ZDLGFXPLSA-N	528.823	6.827	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409265027	MGOLRNGHJOTIMA-HQDYHJHZSA-N	703.562	6.948	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)ccc1OCc1ccccc1	409309146	CDFJOUUBQVNDQH-KMUKQRDJSA-N	593.507	7.713	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409310690	CJQNZYVWKXMDKI-FGZHOGPDSA-N	606.926	5.228	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)ccc1OCc1ccccc1	409311104	FFUYFCNGTHOTBW-KYHGBAKBSA-N	544.991	5.969	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1OCC	409312974	AQAYOYOEACVHCT-FDVSRXAVSA-N	545.405	5.737	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)ccc1OCc1ccccc1	409323350	NLEJKHBFCDHPHH-KMUKQRDJSA-N	621.503	7.308	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409326978	PLBJFKHJSZEHRS-DBFSUHOCSA-N	582.329	6.340	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	409366109	SQOALQPNMAOWDH-ULPWCQAASA-N	599.150	7.407	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc(I)cc1	409369080	AVRIZKUGHDSRKL-MTJSOVHGSA-N	739.132	8.297	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2C(F)(F)F)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409371178	GTIDZMFQIJEPJO-VKVKMMGJSA-N	586.463	6.279	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409371714	LCGJTRGRYXLLSO-OCKHKDLRSA-N	509.312	5.707	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cccc([N+](=O)[O-])c1	409371811	OZOHNOZFLDPCNL-IUXPMGMMSA-N	551.167	7.149	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409372840	NEANGSVCJBVWON-QDTIIGTASA-N	536.799	6.226	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)[nH]c12	409395245	LLJRPFQVAOOPQN-UHFFFAOYSA-N	740.246	8.423	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397158	GYKWPGZEASTHBE-UHFFFAOYSA-N	674.890	9.196	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397503	KNQSLHRLQPBGDF-UHFFFAOYSA-N	596.481	7.288	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409399304	ZFTBCFYGIBJTRW-UHFFFAOYSA-N	604.619	5.724	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409400144	BQCXDVHBHMCOHW-WBIBEUCMSA-N	687.547	7.678	50	40	KKGB	
CC[C@H](C)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409405376	TUUJZXLLJILVPG-WQHQPYNPSA-N	578.713	7.615	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	1529546652	GGXBJMTXVKJZMD-FXOQEBJASA-N	674.621	5.646	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	2320398	ASKSOJLFTQCFCI-LGJNPRDNSA-N	525.200	5.896	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1	2672747	GFXPVGOKYMZPFW-FTGODIDHSA-N	559.069	7.556	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)[C@H]2CCCC=C12	2758613	GMHJSOSAUBIFCM-RDPSFJRHSA-N	519.830	6.275	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1I	3236824	AZDTWUSCKCKERM-GZTJUZNOSA-N	549.195	6.723	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\CCCC[C@@H]3C)cc2)c(Br)c1	12312144	NAFAAWLDHRYRRX-BIGRUVCHSA-N	508.254	6.395	50	40	KKGB	
COc1cc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)ccc1O	13563605	JUAJRYFCKJJJEJ-YUMHPJSZSA-N	514.051	5.450	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2cc(Cl)ccc2C)cc1	20206954	BMCGYANAIAEXRB-MUFRIFMGSA-N	528.074	5.337	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C(/CCN1CCCC1)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	31841763	APBBCAWLTXBCGG-OBLIUVNCSA-N	523.633	5.221	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl	59117319	PFGHHCCPIAZCFF-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(Cl)cc1	96399185	FGIBGMHVUOMTCO-OYKKKHCWSA-N	506.809	5.057	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1	96476378	AYASOWCGHRIHRW-ONUIUJJFSA-N	526.036	6.559	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3C(F)(F)F)n2-c2ccccc2)cc1OC	97951697	YASKHEVKIUDFSZ-MNDYBZJGSA-N	541.555	5.213	50	40	KKGB	
Cc1c(/N=C\c2ccccc2OP(=O)(c2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C	97962876	XLTSPTKYFFMJBZ-VAMRJTSQSA-N	507.530	5.543	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(OC)cc3)=C(C)N2)cc1	98048501	WAEPIEBSESXRPG-HHHXNRCGSA-N	544.633	5.393	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	100126987	SKGKKRXDZVQHHV-STBIYBPSSA-N	610.490	5.110	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)OCc3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)cc1OC	100573328	YBEZUHWEHBAORB-GDLZYMKVSA-N	555.656	5.515	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)c1ccc(Cl)cc1	100858559	MDNDOWPLUZTGLM-MBTHVWNTSA-N	541.858	5.434	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2O)cc(I)c1OCc1cccc2ccccc12	100956061	IFFHULNPOVEGFV-MBTHVWNTSA-N	552.368	5.502	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNC(=O)CSc1nc2ccccc2s1	101007366	HXVTUCDYOVSOBM-ZHZULCJRSA-N	591.205	5.651	50	40	KKGB	
Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)NC3=C2C(=O)CCC3)o1	102160717	UIJSTLNWYZARTR-HHHXNRCGSA-N	558.059	6.273	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	102809866	VVSPRVQODTYFFU-MHZLTWQESA-N	563.510	7.008	50	40	KKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c(C(C)(C)CC)c1	102978594	YOQSFWAASPUVEK-FADJLKOXSA-N	594.152	8.725	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccc(Br)cc1	103857903	ROBJGMCSORPXDZ-WYMPLXKRSA-N	538.261	6.015	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)c4cccc(Br)c4)c3C)sc3c2CCCC3)cc1	103875705	DWRVLSMQYHVRDL-JLPGSUDCSA-N	570.556	8.422	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)c1	103889397	DFPZRMWYPCVCSB-MFOYZWKCSA-N	595.118	7.952	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1ccc(I)cc1	109556408	KBPOLLMXULMYTB-QNGOZBTKSA-N	580.403	5.758	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Br)cc1	112264881	IJVLLSRCIHDBOT-XODNFHPESA-N	590.268	5.611	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	209605670	ZGKXPYFOIOWWLM-MXAYSNPKSA-N	596.206	5.547	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	216061313	DGZLQWASLADBMB-CCVNUDIWSA-N	625.155	7.106	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408530450	LVOTWBWKCMROPJ-INRUPRTJSA-N	748.108	7.363	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408538161	JWTUSKPHYOLCSX-OVVQPSECSA-N	564.638	6.893	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cccc(C#N)c1	408567962	QWVRNSRYNLMQKW-OCKHKDLRSA-N	528.631	7.380	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1ccc(Br)cc1	408581077	UFDGFXXISQNOBU-SFQUDFHCSA-N	519.214	6.043	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)CC2=O)cc1	408611811	WRWVRRDJOBQBGG-QGZVFWFLSA-N	544.435	5.476	50	40	KKGB	
CCCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	408636807	CRPJMGIWBJKECF-KNQAVFIVSA-N	520.409	5.073	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638021	BMDBSYAYMWUPIR-DUUJBTRBSA-N	756.483	7.817	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1	408668711	DXTHCZXWOCDIGZ-VXAPCQRLSA-N	574.313	5.346	50	40	KKGB	
CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)c(C)c2)CC1=O	408668932	RKPPVHXIUSEJML-YLKJRGBVSA-N	672.414	5.361	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1	408674054	XHCCMQPBZBFMHF-XCZPVHLTSA-N	587.426	6.700	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1cccc2ccccc12	408677938	WCZNPLZYIXDKDN-BIZUNTBRSA-N	605.476	6.396	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408682119	IXKUADMZOLWXGR-JNYDFHNISA-N	646.119	5.237	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccccc1	408740938	FGOCNKGZXIWGSQ-MFOYZWKCSA-N	604.198	6.087	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(Br)cc1	408742531	AQSLVKCARRJADZ-UYRXBGFRSA-N	556.254	6.735	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OC(C)=O	408765251	KUINGVVUICDLBD-RIYZIHGNSA-N	508.166	5.081	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1	408766092	OOGMCAOUOQVDKO-CCVNUDIWSA-N	505.290	5.380	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1)NCCc1ccccc1	408767769	NOEOMTHOXSWKLA-QXUDOOCXSA-N	558.103	6.134	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(I)cc1	408781779	DQUDHVMKECFIJF-NDENLUEZSA-N	535.385	6.436	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408782819	JVYOJZLCCPGVLC-XHPQRKPJSA-N	552.472	6.437	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408789000	GZKFCHAGBCODQV-SRZZPIQSSA-N	550.409	6.498	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I	408789219	ONLMWMSSCHIGOY-LFYBBSHMSA-N	531.575	5.570	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc2ccccc2c1	408792004	GKRRBAUNPDQDOS-LPYMAVHISA-N	503.385	7.280	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(I)c2)c1	408794828	TVCGTNAODHEOHX-WSDLNYQXSA-N	533.369	5.904	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408795172	KJESRQGWSBBSIF-VXLYETTFSA-N	676.261	6.263	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccccc1F	408796017	WZHJUORCAQBPAB-VXLYETTFSA-N	590.820	6.916	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Cl)c1	408797274	RBSQALWYYVBNDO-YZSQISJMSA-N	509.005	7.352	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408805678	BRCXROOEJWHJAL-LICLKQGHSA-N	506.216	7.733	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccccc2)cc1	408827301	INYMKOWSXYILBH-PPOKSSTKSA-N	579.678	5.773	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408827924	VJOXIJPOMCCUNC-ZVHZXABRSA-N	652.372	8.858	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)c1	408828800	MGWSAEQQZRVGRS-KQWNVCNZSA-N	576.074	6.187	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc(C)c1OCc1ccc(F)cc1	408845503	HKHAITAOMLSZOG-LUOAPIJWSA-N	550.222	6.016	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCC(=O)Nc1ccccc1	408851725	NDQUXQLOHRLZPD-HMAPJEAMSA-N	543.023	5.503	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OCC	408856955	IQXYRGIJKVQHTG-STKMKYKTSA-N	587.698	5.652	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408875369	DXHBYSZJXQHVJL-XICOUIIWSA-N	638.702	5.990	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1Cc1cccc(F)c1	408877593	SQRHKPQQDUTBLY-RQZCQDPDSA-N	546.767	6.229	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)c(OC)c1	408878696	AIUNZIKIWLAKIM-WSDLNYQXSA-N	521.411	5.577	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(Cl)cc2C)cc1	408884637	VDIDLPKWQLJULI-KCSSXMTESA-N	607.088	5.790	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OC(=O)c1ccc(OC)cc1	408889652	ILLCSUPULGKYRR-LDADJPATSA-N	565.376	5.319	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408910372	JUVRIEXJFRAXIJ-GUBAARJWSA-N	602.760	6.673	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1OCc1ccc(Cl)cc1Cl	408925289	QXBMCWCEQOFBFO-KGENOOAVSA-N	503.385	7.280	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCc1ccc(Cl)cc1	408953661	XSJQONWYMIFHSX-MUUNZHRXSA-N	749.027	5.417	50	40	KKGB	
COc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1	408964768	ZUCOYBUBCKJXSO-ZXOUJBBISA-N	586.516	6.030	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408965805	IRVRZWAVQNNNQD-PNQUVVCRSA-N	520.775	6.399	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408973882	WCPDGMXJDGFSCO-ZTUJDWAQSA-N	615.352	5.778	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1c(C)cc(C)cc1C	408978553	JBKPKIRINPCOGE-IQZQLMGCSA-N	589.733	6.150	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(OCc2ccc(I)cc2)cc1	408994495	GGWFXUWDINPYPB-ZRGSRPPYSA-N	555.199	5.706	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	408998559	MCTHQZSYIFNETP-BUYOEEETSA-N	724.020	6.717	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c2ccccc2)cc1	409002236	MMPFZEXENHAMGQ-YLSWKDTQSA-N	585.129	6.211	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409010552	BVNOECBVUADFLD-XBDXKVTFSA-N	585.315	7.009	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1OC	409015311	OPBSJIXWLAZZET-OUMHCNLISA-N	569.283	5.071	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	409026326	LXYCBSHDLNECAR-KBVAKVRCSA-N	600.480	5.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409074959	VSAXTLYTSJSQOG-LFIBNONCSA-N	596.286	6.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409081538	PXEUUCDTFIVEPC-XDHOZWIPSA-N	502.483	5.857	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(Br)c2)cc(I)c1OCc1ccc2ccccc2c1	409087944	VEJDXFBWIVCVED-UHBFCERESA-N	629.292	6.949	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	409184770	NHCICMUEMVZUII-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)NC1CCCC1	409187744	BATQBBBPGFYPDJ-MFOYZWKCSA-N	548.231	5.455	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409218925	LQUVMIKKDFCHQM-SKGHAHSUSA-N	579.525	5.138	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)NCCCc1ccccc1	409228284	WRVJXKFGACYLJM-ITYLOYPMSA-N	525.446	6.837	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409233893	UMMXXJRSIPGOBB-MTJSOVHGSA-N	575.414	8.264	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1Cl	409249789	ORNISBAMAZKWMX-QLTNSANVSA-N	539.857	6.865	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccccc2)cc1C	409258594	YELYQXHMGXBFBO-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1	409264430	LIAJLDTVEYKMIQ-ZMFRSBBQSA-N	545.231	5.301	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C	409270275	OOULWHCIRRPTLS-YBFXNURJSA-N	572.381	6.648	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409273010	UUACNCPMUDKIMS-XCHWQBBTSA-N	526.420	5.474	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1OCC	409309776	MGIRLFBGVSJTJR-NUJZUDFISA-N	505.373	6.273	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409394549	CBJWDTKKFWGFOO-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)[nH]c12	409396242	XGJLEWACNDGGOU-UHFFFAOYSA-N	746.239	8.667	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409398695	VEZWQVVBRJDNIE-UHFFFAOYSA-N	606.000	7.889	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)c1	409398960	XBKSSHUEYRZVFB-UHFFFAOYSA-N	507.977	6.780	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1[N+](=O)[O-]	409399895	AEKYVCPLTWKVNQ-GYDRZMFUSA-N	595.008	5.532	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1cccc(C(=O)O)c1	409401552	HMXSVLHLRQZIOF-FRKGHFGRSA-N	721.004	8.122	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C	1529544407	CZFWYEOUZRUCQB-JEYBFTOPSA-N	621.763	5.646	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1OCc1ccccc1	1784652	DHSHYTIIKGLQGG-VWJSQJICSA-N	538.629	5.171	50	40	KKGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nc2ccccc2c1=O	2213845	MOQXSFSHPHTHSH-ZCTHSVRISA-N	520.614	5.729	50	40	KKGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1)c1ccccc1Br	3115385	LXRMVQAGAQLFNS-OIDVGNHBSA-N	539.429	6.125	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccccc2Br)o1)c1ccccc1NS(=O)(=O)c1cccs1	6093341	NLYYQWQGCDSANS-ZVHZXABRSA-N	530.425	5.335	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2c(Cl)cccc2Cl)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	8441980	KKRKWBUFJPVDCO-CVDCTZTESA-N	504.377	5.056	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	9311787	BOEBLNASPILJHU-XQNSMLJCSA-N	516.428	7.526	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2c(Br)cc(/C=N/NC(C)=O)cc2OC)cc1	9436108	DAMRBLHOLNKJAC-YZSQISJMSA-N	507.425	5.345	50	40	KKGB	
CC(C)N(C(=O)CS/C(Nc1ccc(F)cc1)=C(\C#N)c1nc2ccccc2s1)c1ccccc1	12604246	HSZFSGLYGVYPBZ-XTCLZLMSSA-N	502.640	6.914	50	40	KKGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c(C)c1	13297898	QKZCOIBCFBNOHY-RUZDIDTESA-N	520.098	6.702	50	40	KKGB	
O=C(N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)[C@H]1COc2cc3ccccc3cc2O1	13757030	KXJJRQOBKDMLJO-IJONZHQUSA-N	513.553	5.200	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	19953385	GMHRSORUYAGOFP-JFLMPSFJSA-N	504.439	5.462	50	40	KKGB	
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1C	27018989	LDKVTQMRVLRVDU-LYBHJNIJSA-N	504.590	6.357	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	97960742	JOEXTSZDHISHEN-XKZIYDEJSA-N	591.405	5.316	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1ccc(-n2ccnc2)cc1	97980807	FPMDABMLLKWVSE-YKQZZPSBSA-N	582.296	6.439	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)N[C@H](C)c3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	100093158	UNPAKZXTHKHKSR-CPJHJSKFSA-N	627.550	5.613	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)c2C)c1	100123746	BAROTXAWKNLOKE-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	100124174	ZXXPBXSUZAVPDQ-STBIYBPSSA-N	610.490	5.110	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	100568995	XLJAMQKOVXSRCA-HHHXNRCGSA-N	530.049	6.299	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccnc3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	101670765	ZURGGPKLWAQBHD-HSZRJFAPSA-N	530.009	5.086	50	40	KKGB	
C[C@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccc(Oc5ccc(C(C)(C)C)cc5)c([N+](=O)[O-])c4)[nH]c(=O)c23)C1	102988840	IUFZVVGUPMEKRF-WFVLPUPGSA-N	540.645	7.172	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc2ccccc12	103843871	WFTNWTUDOIUTEY-QQXSKIMKSA-N	594.509	7.327	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	103897991	LYJAIUWTAFMGMW-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
CCCCCCCC[C@H](Br)[C@H](Br)CCCCCCCC(=O)NCCCOC(C)C	104109916	VHCKCECWGTZTTG-XZOQPEGZSA-N	541.453	7.926	50	40	KKGB	
Cc1cccc(N[P@@]2(Cl)=NP(Cl)(Cl)=N[P@](Cl)(Nc3cccc(C)c3)=NP(Cl)(Cl)=N2)c1	104258538	OHKZXSYMLBPORA-WXUXXXNLSA-N	604.938	12.059	50	40	KKGB	
CN1/C(=C/[C@@H](I)[C@H](I)C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21	104344756	WGDGVGVLCQJFHK-JEBIINMKSA-N	611.329	6.611	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(C(=O)OCC)c1C	108294962	QAXVPZBGHPCJKG-KGENOOAVSA-N	552.048	6.361	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(Br)c4o3)o2)c(Br)c1	112252468	RIPYZYTUOLTAAZ-KIBLKLHPSA-N	581.058	7.053	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1	150386671	HDZWILHBGIJSNL-BYDMSBDESA-N	667.493	6.394	50	40	KKGB	
O=C1N[C@@H]2CS[C@H](CCCCC(=O)N(CCP(c3ccccc3)c3ccccc3)CCP(c3ccccc3)c3ccccc3)[C@@H]2N1	195771780	YQGVXWZSNIQEOR-FURHFXAJSA-N	667.796	5.807	50	40	KKGB	
CCOc1cc([C@@H]2[C@@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(I)c1OCC#N	226385096	DJIUNIKETXIJRI-GEQKSPFYSA-N	581.458	5.458	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408543774	SXNUZFOMRRCNEK-SOFYXZRVSA-N	580.649	7.232	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccccc1Cl	408590254	OKENBXASDDAMQW-YPXUMCKCSA-N	685.514	7.199	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1ccc(N2CCCC2)cc1	408677881	VTAQUXDENDGRTA-WKULSOCRSA-N	530.825	6.185	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccccc1	408734106	DBJXVLGIUQTBEI-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I	408744621	GGCSOIMUEHDWHE-GHXNOFRVSA-N	531.575	5.651	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1	408744669	MMHJHNVYKRXOTF-QRVIBDJDSA-N	623.288	7.640	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)ccc1I	408746777	HAJFSKWVOALNHW-FJEPWZHXSA-N	692.291	6.409	50	40	KKGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408753805	KKUFMRQYQHSMQG-DHDCSXOGSA-N	518.334	5.215	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408755352	UFZNHOIMAWCJQO-NVNXTCNLSA-N	641.283	6.376	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c2cc(C)cc(C)c2)cc1OC	408769639	XZFZTXZPDRZCGP-DFKUXCBWSA-N	551.709	5.354	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(I)c1OCc1ccccc1	408784717	SBLNBXFLQYQNOS-MTJSOVHGSA-N	568.411	6.212	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408795482	MLMVPFOSFDZATG-OEAKJJBVSA-N	571.427	6.522	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c(C)c1	408796163	NIZNONNQFVAEKP-RGVLZGJSSA-N	634.255	6.637	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408798263	VLJUPYXOJQCORJ-GIJQJNRQSA-N	512.349	6.343	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	408798699	WOHGZBROJNFDBM-VCHYOVAHSA-N	590.699	7.388	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(C)c3)c(I)c2)cc1	408812033	NJFCLUZPEMZVCS-NHDPSOOVSA-N	664.281	6.015	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC	408822248	BTSCNOCLPFVGCZ-VGOFMYFVSA-N	509.784	5.463	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408826098	STAWRWROGUZEAD-JRZNSJKLSA-N	753.730	6.670	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408831105	POMGSSOUEPHPQF-WWXMDWTASA-N	688.804	7.027	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccccc3/C=N/NC(=O)c3ccc(NC(=O)/C=C/c4ccccc4)cc3)sc2c1	408839361	RBWHHXSFWARFTL-MGBLKWGHSA-N	594.092	7.498	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc(Br)c1OC	408839921	DGMBVSGFRCOBAJ-UQQFOZFESA-N	554.466	5.004	50	40	KKGB	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408841644	GAYSEULWABBNNE-UHFFFAOYSA-N	573.812	5.553	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408842364	JLBBXTWSDPZZMM-QNVXDBMFSA-N	741.845	8.324	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408843255	REZAUPFVSCQWPS-WHQPAHRZSA-N	784.223	8.851	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1	408845365	MMWGYSWEPGTYBV-WBIBEUCMSA-N	633.373	8.865	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408847507	SKFAMRAYNRPNRE-KPGMTVGESA-N	611.279	6.991	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408866636	INAZJASQGOGWLS-XODNFHPESA-N	659.784	5.369	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408867380	JSOLCQYYSUTFIY-QNKGDIEWSA-N	591.089	5.691	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc(I)c1OCc1ccc(Br)cc1	408877492	WGRCMEKGGJHMEE-DPWJMMOYSA-N	792.277	7.543	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OC(=O)c1ccccc1	408878641	BBKDMDYGMXTMTM-LDADJPATSA-N	525.786	6.266	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408887176	OSSWAEWURBIOAK-UDWIEESQSA-N	562.807	7.289	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1cccc2ccccc12	408888827	BIZSBCACWBPWLV-LPYMAVHISA-N	604.400	6.276	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cccc(I)c1	408889143	DZQOBERXBLPOFY-BRJLIKDPSA-N	569.624	6.050	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Br)c2)cc1	408889814	JIRNYLFZFGGOGZ-DEDYPNTBSA-N	584.264	6.513	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OC(=O)c1ccccc1	408896792	SVBQITDPNJYWKA-MZJWZYIUSA-N	570.490	5.919	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OC(=O)c1ccc(OC)cc1	408900644	XFDUBXKWTMPBHY-WOJGMQOQSA-N	740.186	7.297	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1C	408900898	YTNZIMXOEVQDOS-VXLYETTFSA-N	511.803	6.544	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1O[C@@H](C)CC	408910021	VRPWFMUPMFFNGE-PUMVZNGMSA-N	527.257	6.252	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)c1cccc(Cl)c1	408922449	FHEIRQPJOCTRAM-SEBMTOOBSA-N	583.047	7.600	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1	408922972	HYMYVYFARBPHTI-CAPFRKAQSA-N	594.430	6.066	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc(I)c2)cc1	408923542	JKKMIBDMEXIJBC-JVWAILMASA-N	570.408	5.284	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OS(=O)(=O)c1ccc(OC)cc1	408926762	YHTRNCGGWOMHIT-QGOAFFKASA-N	604.422	5.012	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)cc1	408962075	GHCZYOGWFLSRBO-XKJRVUDJSA-N	541.751	6.473	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(I)cc1	408962880	KWZWZQRUKXFMQT-VVEOGCPPSA-N	694.229	6.656	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1Cl	408975533	MQNXSSVNXOGMHJ-XODNFHPESA-N	545.817	5.502	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1nc2ccccc2[nH]1	408994203	HFUYATHHECXWBC-MFOYZWKCSA-N	647.210	6.113	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc2ccccc12	409015881	PGGKYAQAJUVCQT-LXRZICMMSA-N	500.426	5.595	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	409028734	QWMJFVWOEGYEFS-NDZAJKAJSA-N	534.037	5.265	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(I)cc1	409030738	FMAGQMLZCNFNMJ-HQDYHJHZSA-N	692.351	7.620	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409044554	GXJWKXFRAPVNIS-ZSNJKBEMSA-N	589.120	8.703	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(Cl)c1	409055302	YJVBSIQNHHUTJY-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1cccc2ccccc12	409064057	BJJXPZSHMHDPLZ-KOEQRZSOSA-N	509.005	7.355	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1OCc1cccc2ccccc12	409081804	OLFHOEQCYGOCTA-VWJSQJICSA-N	576.447	5.871	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1	409087908	UYQLXGUDSVNEKY-QFEZKATASA-N	596.206	5.168	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409160523	QXQSMXYIEGSOCK-VWJSQJICSA-N	615.912	5.019	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc12	409213007	RTPGAFNMAMUCJI-UCQKPKSFSA-N	576.390	7.394	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409224787	LTZOYZMBVMTHLI-UHFFFAOYSA-N	576.834	6.338	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409225242	NRGWGLFCWJPACW-UHFFFAOYSA-N	690.175	7.754	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)c(C)c1	409250223	LUSSMHHYBQXQCH-PPDIBHTLSA-N	515.353	5.300	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(OCC)c2)cc1	409257346	SEAKQJCTVZTTGF-HYARGMPZSA-N	548.039	6.317	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409261547	CXQOMSSZVORMNA-MFOYZWKCSA-N	544.822	6.527	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)ccc1OCc1ccccc1	409312393	LFJKGZYGODJWLQ-DLCNMLRHSA-N	672.801	8.186	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Br	409314348	FTYILEKQUBDDDK-MBTHVWNTSA-N	574.269	6.128	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1OC	409316275	YFHAUBHIXGTAQY-CPDSRJINSA-N	596.356	6.730	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OCC	409318828	ZYKZHSLHPZZSQC-LJUMEUDFSA-N	552.027	5.402	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409318961	YZHOBNUYWUWWMG-CAQPMQTCSA-N	622.459	6.230	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OC	409321970	ICHHRJJUVILOIA-BVMLUPFRSA-N	565.881	7.186	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc(Br)cc1	409371076	AWAKGYMXNVWWQW-ODLFYWEKSA-N	522.830	7.329	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(Cl)cc1Cl	409373771	UVVKCAJIMVYAST-XAZZYMPDSA-N	588.285	7.269	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	409375769	PARNTFFFNXOLDW-BOPFTXTBSA-N	526.376	5.574	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409394434	AHXYGJVPWGOWSE-UHFFFAOYSA-N	602.018	6.636	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409394758	FMXGZYFPPONJHO-UHFFFAOYSA-N	821.647	8.330	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)c1	409396098	WLKMABLXLDUNGP-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396129	BZKRJUQXOJSTRM-UHFFFAOYSA-N	660.510	7.457	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397757	NSHQEHFYBJTWDR-UHFFFAOYSA-N	574.036	7.633	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409398925	WNMDSIUPBDASLM-UHFFFAOYSA-N	557.528	6.845	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccccc4F)cc3)o2)cc1	409401208	GVNVAFNWJIWUTL-KMUKQRDJSA-N	580.616	6.187	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(Cl)c(Cl)c3)o2)cc1	409401420	HBIREINPLSWXGC-QMRORBIVSA-N	633.488	7.824	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1cccc(F)c1	409403447	MZMJEKALNXPDMQ-ADJDCTSUSA-N	680.958	8.173	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	2670751	FAOLKFNWOXSIFS-HYARGMPZSA-N	509.034	6.936	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl	3027200	NMMHKKMJCNTPNE-QPSGOUHRSA-N	510.997	5.056	50	40	KKGB	
CCN(CC)c1ccc(/C=C2\CCC(/C=N/NC(=O)C34CC5CC(CC(C5)C3)C4)=C2N2CCOCC2)cc1	12555096	YPKSXDINKYNPFS-ZJLQYDORSA-N	516.730	5.615	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2)cc(Br)c1OCc1ccccc1Cl	59646324	DIRGTDBPSYRPML-UVHMKAGCSA-N	533.875	6.074	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	95682074	ZDRHSXVFEQIXGS-UWTATZPHSA-N	592.002	7.117	50	40	KKGB	
N#CN1C[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](CI)C1	95707820	WQEMREJSEOLXRY-RQJHMYQMSA-N	568.115	5.579	50	40	KKGB	
CC1(C)O[C@H](CP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)[C@@H](CP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)O1	97950005	IWUVZYAJPOAIGF-LOYHVIPDSA-N	770.531	9.848	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c1C#N	97955886	PAYQLBQBUIMINS-PNQUVVCRSA-N	632.309	5.050	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	97960919	JCTBXJIVNSUPGI-BCHBDCPOSA-N	587.095	6.627	50	40	KKGB	
O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1	97960984	FHXQUZXMOIUWEF-ORBVJSQLSA-N	621.540	7.280	50	40	KKGB	
CCCCOc1ccc(C/C=N/NC(=O)CCn2c3ccc(I)cc3c3cc(I)ccc32)cc1	97965031	VQSYAKBMXWCYND-AMVVHIIESA-N	679.340	6.917	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1	97979227	YDOPXVCGXGZBAK-WOJGMQOQSA-N	531.918	5.864	50	40	KKGB	
Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br	98001398	MJTMNIMWAIEYRG-UHFFFAOYSA-N	602.121	5.566	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccccc2)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12	98008441	KSXOFFMQAVIWLD-UUWRZZSWSA-N	540.598	6.331	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	98048526	OGQXFYLXDNNNFB-XMMPIXPASA-N	590.986	6.797	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1	100062847	KLLKCSFIZBGDTH-WKIKZPBSSA-N	613.677	5.988	50	40	KKGB	
CC(/C=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)=C\c1ccco1	100089311	UBDOCHVMWDHSGB-NGQJDVRGSA-N	522.428	5.587	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)c1	100124893	AIPXCLVYLAKCMI-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(C)cc2)cc1Br	100285961	MGTVFDSCEIERTQ-VTNSRFBWSA-N	627.536	5.658	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	100379397	YARXEKRHSOSMNG-KCSSXMTESA-N	582.509	6.303	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccc(C)cc2)cc1	100380134	NKSJSEBFVGBYKP-FDAWAROLSA-N	564.708	5.609	50	40	KKGB	
O=C(N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21)c1ccco1	100685933	HRQMCWDTCZZVLR-BXVZCJGGSA-N	543.421	5.183	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@@H]2C[C@H]([C@H]3C(c4ccc(F)cc4)=NO[C@@H]32)[C@H]1P(=O)(c1ccccc1)c1ccccc1	101023753	MWNYMQJXYBAJDE-KYHSHLNZSA-N	631.624	6.960	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2C)c1	101085308	MWGBEZMOGIQASQ-HEQFHQOESA-N	522.457	6.675	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl	102384411	BVSJRABPQOHRBJ-HKBQPEDESA-N	606.147	7.834	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	102932830	KOEQAXUETAEFGR-RIYZIHGNSA-N	539.844	5.411	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882564	RQQZCUUSONEYCA-JLPGSUDCSA-N	527.422	5.156	50	40	KKGB	
CC[C@H](Cl)COP(=O)(OC[C@H](Cl)CC)[C@@H](OP(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC)C(C)C	104161205	RBPKDLIVOWCFJP-ZCPMNDKBSA-N	596.293	8.422	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1	104953811	LVWQPBCTZKARHG-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	105200194	OAWLXWJYMJLFLO-LICLKQGHSA-N	535.747	7.246	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1	112254271	YWIZEEOWLIPFBX-JMHKOAANSA-N	610.497	5.898	50	40	KKGB	
CCOC(=O)C1=C(CSc2nnc(SCC3=C(C(=O)OCC)[C@H](c4ccc(OC)c(OC)c4)C(C#N)=C(N)O3)s2)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1	150378101	CITJTRLJUBZDAU-LOYHVIPDSA-N	834.955	5.407	50	40	KKGB	
O=C(N/N=C/[C@H]1C[C@H]2C[C@H]1[C@@](F)(C(F)(F)F)C2(F)F)c1ccc(Oc2ccc(C(=O)N/N=C/[C@H]3C[C@H]4C[C@H]3[C@@](F)(C(F)(F)F)C4(F)F)cc2)cc1	150391493	UPUXRHBPMMZVJF-WEEQXOJESA-N	742.561	8.034	50	40	KKGB	
O=C(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F	164493249	VOAMXAGBQIGIEI-FPBYKHMASA-N	996.120	10.868	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795415	OTLNGCYILONYNP-HUUCEWRRSA-N	800.235	11.331	50	40	KKGB	
C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	195772619	JJNHXXXGXRHCFL-RRTCDKLQSA-N	696.049	6.948	50	40	KKGB	
CC1(C)CC(/C=C/c2ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc2)=C/C(=C/C=C/C2=C(C#N)C(=C(C#N)C#N)OC2(C)C)C1	220434977	PYNHPJZBYGNOPU-ONTZPWRJSA-N	765.204	11.709	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408532565	QIALRWZZCZRHQU-QFDQHJFZSA-N	713.663	6.709	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(Br)cc1	408553363	OGMSFPMIOOQJNJ-YBFXNURJSA-N	688.385	7.389	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCC1=O	408640257	HSIBNMLNEULPCC-QGZVFWFLSA-N	502.181	5.033	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1	408718447	ORRMJBDVNQSDTD-MZJWZYIUSA-N	528.790	5.434	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)c1	408742607	BPJLWAGZTUIMMZ-JAIQZWGSSA-N	540.255	6.953	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	408745698	OISAERGPBKVSLP-GRSHGNNSSA-N	647.263	6.275	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(I)c3)c2C)c1	408745842	PMINPAPIRPITCU-UNOMPAQXSA-N	511.363	5.643	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OC	408775525	UDXRZAWKRRWAQE-AQTBWJFISA-N	531.394	5.256	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408781588	COPZIBXIWXCBBT-STZFKDTASA-N	559.376	7.530	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1	408789577	MNZNSVBIFVACIE-GDNBJRDFSA-N	517.847	6.614	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1	408790532	WUUPKMQNZFYSMY-QGMBQPNBSA-N	515.780	6.778	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	408798365	DSXZHRBPQAEFGC-MHWRWJLKSA-N	524.786	5.986	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408804190	CYKVDPADIIULDI-RGVLZGJSSA-N	572.830	6.695	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408817363	WDCCASRBYFKKEB-PYNFEREMSA-N	577.128	6.766	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408819146	YITIMZDZQCVSOI-PCLIKHOPSA-N	616.499	7.839	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)cc1	408822442	BTWKYRXRSIDINE-JCMHNJIXSA-N	624.944	6.941	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408826269	CRHXZQFWQNMTHH-WIKVARAKSA-N	579.234	6.415	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)c2C)c(C)c1	408830480	RXSMMXSSUKDGFM-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Br)cc3)cc2)c1	408839360	RBOIKICBVAGKAH-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C)cc1	408848999	TZJDOAWWMKZESV-MNDYBZJGSA-N	582.292	7.338	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2ccccc2o1	408849772	YZUWTCSBILOZGQ-FXMZOFOKSA-N	597.090	7.608	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)NC4CCCCC4)c3C)sc3c2CCCC3)cc1	408850736	DIKRIMXKPQJXBR-MOHJPFBDSA-N	540.733	6.951	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408873444	ROJHBTRITIYIDY-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2I)cc1	408887110	NYYXSNPWYIBXQR-DJKKODMXSA-N	679.252	6.546	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cc(Cl)ccc1Cl	408887867	RSTNUEOBJVXILC-LZYBPNLTSA-N	675.091	7.327	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OCc1ccccc1Cl	408891248	NKRHXKJPNSDGCX-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408892713	BZBHXJMBPGYDKX-YBFXNURJSA-N	545.444	6.322	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408892831	DDYYMHAEVVAYCN-FDAWAROLSA-N	505.401	5.959	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)c1OCc1cccc2ccccc12	408894493	IJCKXDPXGGRTNB-PXLXIMEGSA-N	606.314	7.807	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12	408895430	KJQFFYUESAJDKA-MUFRIFMGSA-N	517.379	5.902	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(OC)c1	408924661	PVGFURIFJVZSHX-FAUQODKRSA-N	706.377	5.674	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl	408943512	HRGVXIFWUNFWCF-NDEPHWFRSA-N	627.550	5.457	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408955396	UJRUUFLVKPHRBP-JAIQZWGSSA-N	613.737	7.191	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1cccc(C(F)(F)F)c1	408963107	MOPRORDYDOXYGE-IBBHUPRXSA-N	527.340	6.964	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1	408964469	RNJQZMCVGSZTIL-MEUFMMLUSA-N	609.466	6.115	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408972530	UVMNLRCHCCPGOP-DWSSRSLXSA-N	682.435	7.948	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1)c1ccccc1	408980242	QAYPMWDAOVMCHS-WWUWQWKFSA-N	509.990	5.255	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccccc1F	408985742	YHBXTBJJWOUEOX-YBFXNURJSA-N	543.820	7.073	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	408998822	SHQVNLWADJJYBB-ROPCREHHSA-N	645.724	7.645	50	40	KKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(I)c(OC)c1	409009109	BLGDALYAPCKSAT-MYYYXRDXSA-N	502.352	5.396	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1cccc2ccccc12	409010981	GOTSWIHEERZBBU-HIWRWHBISA-N	689.731	7.958	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409031787	BDUBJUCBFVLFHX-XMHGGMMESA-N	539.975	5.286	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)C(=O)Nc1ccc(F)cc1	409042278	MDKRBEWOLXPATD-CXUHLZMHSA-N	548.181	6.614	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)c1nc2ccccc2o1	409048149	QOUYMFOBVMBKFA-VIZOYTHASA-N	579.075	8.303	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)c1	409049551	WJWUGVCMNDXBMH-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccccc1Cl	409125495	FTPNPAVVOKSNBR-SANMLTNESA-N	661.968	6.305	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc2c(c1)OCO2	409144675	ZRIVOBWUEUQGQS-NSKAYECMSA-N	705.084	5.730	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1C	409161737	AQJNTAVCABMRSR-XKJRVUDJSA-N	655.276	5.021	50	40	KKGB	
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409162865	IVFJOUZIYGJNBK-FABFYPQTSA-N	550.826	5.900	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(I)cc1	409203159	WKWTTZOEDMRCAT-LGJNPRDNSA-N	566.848	5.775	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409215066	ZLJDNGYVSLUNRW-YVLHZVERSA-N	573.318	5.429	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409232928	TUKBGOPPJVWGJG-FVHJOOJJSA-N	609.464	5.800	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(F)cc1	409245936	BCOFUQVNUSLVIK-BOPFTXTBSA-N	513.447	5.416	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409250846	OGBOQMJNKCMVGD-PXNMLYILSA-N	719.195	6.947	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1OCC	409309956	OMKMUMKGJHEEDQ-MBTHVWNTSA-N	576.285	6.352	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1OCC	409311403	FXGLZANGFPOTBU-MNDYBZJGSA-N	667.192	7.281	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1OCC	409337535	YQPIHBCQFYWAGP-QRQIAZFYSA-N	509.400	5.756	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)c(I)c1	409373129	MFIBOPJUFHMPSV-MUFRIFMGSA-N	550.396	6.104	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC	409379107	UFWVGRPLLUNILV-UNOMPAQXSA-N	550.409	5.338	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1	409383862	LUXWUQUZHMEDOK-XDHOZWIPSA-N	509.450	7.303	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)c1	409394648	DFQKUNZKHBFGIS-UHFFFAOYSA-N	773.219	7.956	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409396853	BYSMUCFHUOZXRT-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl	409397350	IYATVOARSCNWLY-UHFFFAOYSA-N	627.311	8.440	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)cc1	409397511	KPXWRJSJBDHLBU-UHFFFAOYSA-N	516.601	6.192	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OC(C)C	409401424	HBLWPDMASCMSQC-GXBUFBABSA-N	555.675	6.944	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc2c(c1)OCO2	409405328	SVCCSNIBWJRPJQ-RODHXAHZSA-N	672.532	7.109	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(Cl)cc1	409409164	NMTRQOVILSVRJR-UHFFFAOYSA-N	524.920	5.727	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccccc1	1103016	IMORZOSGPJKTIE-LICLKQGHSA-N	529.902	5.931	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1	1767477	BFEYAGMUGFPWQN-CXUHLZMHSA-N	525.373	6.755	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1OCc1ccccc1	1783664	QXPFNALWZILRPD-XJTZLMEGSA-N	595.519	5.398	50	40	KKGB	
CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1OCC	2309829	OPYGTMMRIQONFH-BJKOFHAPSA-N	521.639	5.351	50	40	KKGB	
COc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1	2945964	LMEOXSJNDYEMQU-UVHMKAGCSA-N	533.806	5.228	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1	3666601	XPDYYUXRESSWNT-DEOSSOPVSA-N	503.071	6.483	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	6015246	WFQGGKQOLBZUNW-VWLOTQADSA-N	516.648	5.463	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Br)cc1)N2	6074183	ZOQLLVCOPXRYKP-CIHKHTDDSA-N	557.897	7.599	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc([N+](=O)[O-])c1OCc1ccccc1	6134839	OLAGSOWETVSPCF-RETWFDOMSA-N	587.633	5.107	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1	8406169	RSYMQNGOPUATOP-JOCHJYFZSA-N	500.605	5.099	50	40	KKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	8722723	XSLCAMPVVCGIBH-JOMNMOIBSA-N	522.270	6.937	50	40	KKGB	
N#C/C(=C\Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	8920587	ZBZUWBZXDRJKPF-GHRIWEEISA-N	510.833	7.978	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	8990005	YTWRPZDYDJFXOL-JLPGSUDCSA-N	512.590	7.713	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(I)c2)cc(C(C)(C)C)c1O	9846056	DFHFXFWDGNAPHY-CVKSISIWSA-N	506.428	5.675	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	14166357	FDVOEOFMGYBCOJ-DAUMYKHFSA-N	515.638	6.531	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)Sc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccc2ccccc2c1	15930285	QGYJANPAOFBLCK-BVHMBLIXSA-N	520.662	6.054	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1	20197303	IBSWUZUMLGSAPV-JFLMPSFJSA-N	501.808	6.234	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)c2C)c1	58915380	QXDVUQZZSARXOT-NDZAJKAJSA-N	514.651	5.133	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	97939494	NVUKKZWIFWODPN-COEJQBHMSA-N	542.665	6.081	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccc(Br)cc1	97968608	UTROUZRGTQHLSH-XODNFHPESA-N	610.686	6.012	50	40	KKGB	
CCCCc1ccc(/N=C(O)/C(C#N)=C2\S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1	97968695	VQISTNWAYBRWSF-SFJGOQPCSA-N	530.093	7.706	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)Sc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1)c1ccc(Br)cc1	97972258	ANLNMVPLZOXSEN-UZMMJWQXSA-N	597.970	6.625	50	40	KKGB	
CCCCCCCCCCC(=O)OCC(=O)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	97983175	HAPZOVXSPKMISL-UHFFFAOYSA-N	579.721	8.753	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292980	JNDURWCKAQCNGC-KBVAKVRCSA-N	569.058	5.241	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)NC23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1	100809954	GICOFILPJAFQFK-CHOREJOXSA-N	515.742	7.658	50	40	KKGB	
COC(=O)c1cc(NC(=O)c2cc(S[C@H](Cl)C(Cl)Cl)c3ccccc3c2O)cc(C(=O)OC)c1	100988465	XWETVORBFDZYPQ-FQEVSTJZSA-N	542.824	5.832	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	101664746	CINTVDPPGIXSKC-XODNFHPESA-N	613.266	5.708	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc2ccccc12	103889025	ITWOGNOSAAJWTC-UDWIEESQSA-N	582.281	8.042	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc(C)cc1	103898679	XAFWMZBETFJTGY-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C(C)=O)cc3)N=C3CCCC(O)=C32)cc1	104100969	IRZZPKPVPILTCQ-SANMLTNESA-N	501.608	5.929	50	40	KKGB	
CC[C@H](Cl)COP(=O)(OC[C@H](Cl)CC)C(C(C)C)P(=O)(OC[C@@H](Cl)CC)OC[C@H](Cl)CC	104161365	IZHBVGQTGCJVOX-CCURWEEHSA-N	580.294	8.491	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	164733913	HCHDMQOBBFVASI-NVNXTCNLSA-N	615.536	8.296	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3cccc4ccccc34)cc2OC)ccc1OCc1ccccc1	408538608	ALBLKOWYAJZRCN-ICUTVXMZSA-N	560.650	7.169	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408542710	NNFYGXHKCXORBC-QRVIBDJDSA-N	560.437	7.224	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(C(=O)OCC)c1C	408546134	DICOGHWMMPBKMH-DEDYPNTBSA-N	586.493	7.015	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc2ccccc2c1	408549256	RNJGNGWLRLWQCG-NKVSQWTQSA-N	588.126	9.315	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1cccc(F)c1	408568955	LOTHQOHLZZCFSV-APSNUPSMSA-N	543.311	6.097	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408599310	SKMFSWXVDUPQHD-CAOOACKPSA-N	561.288	7.877	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3Cl)CC2=O)cc1	408605348	JSSWKCVWWHPOEA-SFHVURJKSA-N	514.409	5.467	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl	408611658	RLOVUWRPWAPGDK-LUOAPIJWSA-N	511.192	5.968	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408641045	JHHZOOUQHVRSGM-LWSSLDFYSA-N	702.783	5.721	50	40	KKGB	
O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1	408649704	DWWMQVSTADNUGF-OROFGPOQSA-N	631.339	6.047	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1	408661546	XIAFALDYXCHRJB-CPJSRVTESA-N	526.416	6.217	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccc(F)cc1	408675760	AEJPTVNNYWPLMD-MUFRIFMGSA-N	526.406	5.540	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)OCc1ccccc1	408739322	ZLOCRAGZIGDKNE-YBGYJIPTSA-N	704.419	7.260	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3Br)c2-c2ccccc2)cc1	408741335	PDTTWEFUIMGGQX-FADJLKOXSA-N	592.493	7.514	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1cccc(I)c1	408749784	UFYJXSQZQZBXIP-JVWAILMASA-N	506.343	5.787	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	408763801	KHNKMBLTPAZEOM-DEDYPNTBSA-N	552.255	8.034	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	408774760	QQRDATKSAMGHCS-TWKHWXDSSA-N	542.101	5.690	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc2ccccc12	408782777	JIVVBMHMVAPZAD-DIBXZPPDSA-N	596.525	6.836	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408791919	FICUTHDIJMUWAA-OEAKJJBVSA-N	608.319	8.460	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(C(=O)O)cc1	408792984	CMCXRBWHZYZUMC-SRZZPIQSSA-N	535.394	5.897	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408793473	FMIKCIYEIBFIQH-ZVHZXABRSA-N	607.921	8.749	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408797228	QNCDFOBUGJRWBD-WOJGMQOQSA-N	556.800	6.534	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(Br)cc1	408812207	CRRWSHPDVDWRRC-MOSHPQCFSA-N	570.256	7.204	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(c1ccccc1)c1ccccc1	408815992	IKVIYXPMTNJGIB-DPNNOFEESA-N	512.440	7.279	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408827491	JVCUQNHVJXCHPN-FMFFXOCNSA-N	595.508	5.981	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)Cc2ccccc2)cc1	408829096	NZMMDXLXTMJYGI-SEBMTOOBSA-N	705.258	5.974	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	408832724	ZUEYDXPPIPDDRG-WKULSOCRSA-N	564.491	5.196	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408833527	TWOVDFXCGKFGPH-SSDVNMTOSA-N	628.339	9.012	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC(C)C	408834918	WFTPZMIKSWMQJF-FYJGNVAPSA-N	525.432	7.304	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)/C=C/c3ccccc3)cc2)cc1	408839192	ONCDCCKXRQYXHF-FBEAGNJQSA-N	519.557	5.330	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	408841271	FDDVDEKMERTJDB-UXHLAJHPSA-N	522.517	5.139	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408842179	NIPQNDKKXSIPBZ-PONZDJLKSA-N	688.353	8.255	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)c1	408842945	KPNCVBZAQUCMEV-QNVXDBMFSA-N	725.846	8.624	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)/C=C/c3ccccc3)cc2)c1	408843465	MWADIUKJKYCORQ-NYCKPUFASA-N	503.558	5.630	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1cccc(F)c1	408844886	VFJHHYQAFKTBMJ-IIHBXENTSA-N	684.453	6.930	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc2ccccc2c1	408845280	VPKNNPRTWFMDBX-YSYOEVFLSA-N	683.550	8.492	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1cccc2ccccc12	408849432	YLKKZMJHPSUCCG-NNLKUIAGSA-N	612.755	8.757	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408853588	PYYQXVTZQASHIG-DBSPGSINSA-N	642.981	8.610	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc2ccccc2c1	408858162	XERIQCSLKVHHCN-BVMLUPFRSA-N	608.286	7.463	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408862381	HDMCDVYKIAPVLK-LALXJTNGSA-N	753.502	8.503	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1Br	408878614	CHCOWKRIBFXCFH-NTUHNPAUSA-N	537.164	5.239	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c([N+](=O)[O-])c1	408880931	LFVUZTILRAJGLI-LZYBPNLTSA-N	621.669	6.906	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OCc1ccc(Cl)cc1	408882283	OHQSFIBIUFJDAP-WOJGMQOQSA-N	590.699	7.307	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(C)cc1	408882955	OTRYYZZSKZLPOS-FNPFAXKTSA-N	523.383	5.237	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c(Br)c1	408884357	WUKBDMYVJDRSRX-LZYBPNLTSA-N	718.465	8.823	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC(=O)Nc1ccccc1	408944528	MTAXJELLGMLVOQ-QDTIIGTASA-N	601.251	5.748	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408950383	JOAUAEJDNNUOSB-JAIQZWGSSA-N	658.188	7.300	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OCc1ccc(Br)cc1	408952537	KQGJRDKJZPYQLA-NJLXJUSUSA-N	721.605	5.494	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1	408978351	IKKUQCUVDMAXEB-BKZXGXTDSA-N	574.475	6.509	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1cccc2ccccc12	408982045	XKQFNHMWZZOGOH-NHPPUKNOSA-N	514.629	6.259	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1	409007225	VROFNMVLRLMSBQ-KVSWJAHQSA-N	619.752	5.759	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409013861	NWGQSNDYLYSFCD-XZYGTATASA-N	555.650	6.084	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	409018081	QQSYOYQMHAOELU-YNFMAFFXSA-N	559.247	6.412	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccc(F)cc1	409030215	DUXBBMDMTPPVBM-HQDYHJHZSA-N	584.445	7.155	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccccc1C#N	409031369	AFXBGLULLQXMNE-QJOVZPHJSA-N	605.492	7.278	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccccc1F	409033344	LOACRGFOEDPJDJ-KVAAJVFYSA-N	587.076	7.698	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409034963	RPGHBMQOXQUIJW-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)c1cc(-c2ccccc2)nc2ccccc12	409042649	XHJUZLGONMEGAM-KVAAJVFYSA-N	544.413	7.691	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(Cl)c(Cl)c1	409049907	RIHQKWUYAIBUOY-XJECJHNESA-N	682.345	8.165	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(F)cc1	409096627	GGCPYQABZBRQHC-DEOSSOPVSA-N	539.357	5.513	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1	409123876	FIUUFNFQCSACQN-HHHXNRCGSA-N	536.072	5.700	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)c2cccc(Cl)c2)cc1	409129522	KCCJJJNVFUFGFR-QNKGDIEWSA-N	591.089	5.337	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409134556	SCYWTLOEOWTWQG-QNVXDBMFSA-N	766.454	6.914	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409159884	VQQXFACZNQLPRK-VPUKRXIYSA-N	584.243	5.415	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409160559	RKBJFQDRVNCCRN-VVEOGCPPSA-N	669.303	5.411	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1)Nc1cc(Cl)cc(Cl)c1	409164834	OKQRAYPAIXTTSZ-IPBVOBEMSA-N	554.217	5.407	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1cccc(F)c1	409195882	WXZVELAVNJYPRO-RPPGKUMJSA-N	538.744	5.435	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1	409222279	WMWCENVYUHQJNL-ZPPBPVQNSA-N	511.021	7.255	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3cccc(C)c3)cc2)c1	409223074	GFOFJPSBJDVWCM-MNBJERMJSA-N	536.544	5.447	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)c2)c1	409223894	HHGFWUJODMNFSJ-UHFFFAOYSA-N	507.546	5.239	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	409227678	ZPLWRMVWDMPLJS-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1ccc(Cl)cc1	409232552	QZZNAVUTXCPWFD-KBKYJPHKSA-N	549.878	5.339	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc(Cl)cc1	409246824	DXHFIPJOKBVJAC-KBKYJPHKSA-N	505.427	5.230	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1	409255696	MTAWRUIFWZCXEM-UDWIEESQSA-N	506.356	6.056	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccc(Cl)cc1	409259465	ZLJIIGIZYCOJLF-RAWMCFOBSA-N	521.744	5.336	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)ccc1OC	409300704	AGHPJQYGOHKQOI-DICXZTSXSA-N	513.388	5.208	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)ccc1OCc1ccccc1	409311524	AETDSCXEILASNU-KYHGBAKBSA-N	579.878	7.033	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)cc1OCC	409313220	IDZABCGJUNUEMS-MBTHVWNTSA-N	576.285	6.352	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409315333	IXJFSCSMZMRHIU-GTWSWNCMSA-N	544.629	5.504	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	409326919	ORRYVBMQALLXMM-UCMJSZAQSA-N	609.100	6.248	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	409365745	RSNXFUAYVKZXNB-KKMKTNMSSA-N	551.666	6.006	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(OC)c1	409372719	HNKDZTYZHILIRN-FJEPWZHXSA-N	600.840	6.458	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)cc1	409394604	CRZOLILLXXKOBG-UHFFFAOYSA-N	708.838	8.371	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409394941	HVPBCEGPMGKJRI-UHFFFAOYSA-N	774.249	8.584	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)cc1	409395514	OOPLAJJUUSOFDX-UHFFFAOYSA-N	522.004	7.088	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409395531	OUFGEUUYWZOPSG-UHFFFAOYSA-N	754.184	9.669	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(F)cc4c3-c3ccccc3)cc2OC)c1	409397600	LSFVWIJOGIRFLE-UHFFFAOYSA-N	537.547	5.974	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)o2)cc1	409401456	HCPJQQYSWFSLAW-KOKCXWAISA-N	603.654	6.763	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4ccc(Br)cc4Br)c3)o2)cc1	409403251	MIIPKJMWOZRYFP-AEUUOICLSA-N	677.393	8.134	50	40	KKGB	
Cc1ccc(Cn2cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c3ccccc32)cc1	409407473	ZWBONJNAXMFNJM-QJOVZPHJSA-N	556.666	7.341	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)o2)cc1	409408101	IOJVVBAYRWVJEV-IIYGNDFPSA-N	649.616	6.465	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)/C=C/c3ccccc3)o2)cc1	409409741	QSIFGISWGPSYDO-DNFGPMMUSA-N	638.518	7.411	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(Br)cc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409410062	SVTUZMOJXSAUCL-UKFZFBQRSA-N	628.907	6.386	50	40	KKGB	
C=C1/C(=C/C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C[C@@H]2CCC(=O)C2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	604938967	VUNSKLXNHPLZTO-LKSZNVTJSA-N	641.142	11.582	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccc(F)cc1	1529548594	JRMQXZPMLSOAEA-CKRMDNAKSA-N	685.572	5.061	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Br)cc3)nnc2-c2ccccc2)cc1	1832728	OWJWSEPRLDOHCX-CVKSISIWSA-N	506.429	5.248	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	2219728	VXDHHKZAQOKADE-YHECHFPNSA-N	508.430	5.736	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	2709646	YZKVQMQHUJWVLD-KCSSXMTESA-N	599.514	5.913	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)[C@@H]2CCCC=C12	2758610	GMHJSOSAUBIFCM-HYBUGGRVSA-N	519.830	6.275	50	40	KKGB	
COc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Br)cc1Cl	2801632	CUSLXIGCUBZMSO-NLFFAJNJSA-N	549.856	6.284	50	40	KKGB	
COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OCc1cccc(C(F)(F)F)c1	3299277	YGCUELZTAGBSRC-VXLYETTFSA-N	542.362	6.938	50	40	KKGB	
Cc1cc(OCc2ccc(C(=O)N/N=C/c3cccc(Oc4ccc(Cl)cc4)c3)cc2)ccc1Cl	3453123	DOYCOYBWLRDYPD-KBVAKVRCSA-N	505.401	7.437	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)CCC3)cc1COc1cccc(C)c1C	8399392	WPSGIVLRAVRQLL-PMERELPUSA-N	585.060	6.757	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N/N=C/c1ccccc1F	8836523	AQMBJONBFHETOD-DPNNOFEESA-N	509.968	6.890	50	40	KKGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1cccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)n1	9948945	PBFVRLABSUABEG-XCHCQHLDSA-N	509.180	5.223	50	40	KKGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1	16741508	NPISTVNNWFCBGO-PKAZHMFMSA-N	500.558	5.340	50	40	KKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1	32581125	IMEBBLIZOLTJOW-IDGGKOQVSA-N	511.670	5.300	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccc(Cl)cc1	58917601	OCAZOWLVCGNGHS-OKCVXOCRSA-N	508.474	7.457	50	40	KKGB	
O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1cccn1-c1ccc(Br)cc1	59249531	IGHKRGJYFSFIIM-YSURURNPSA-N	501.595	5.729	50	40	KKGB	
CCCCCCOC(=O)N/N=C/c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1	59613357	SEGHHPAKTYKSLB-GUBAARJWSA-N	627.746	5.821	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cccc(Br)c2)cc1	59856304	ZUGIJBDXVAVUDC-FDAWAROLSA-N	596.934	6.570	50	40	KKGB	
c1ccc([P+](CCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	73351434	VHZAYKXOYYQGPN-UHFFFAOYSA-N	636.800	9.315	50	40	KKGB	
C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](C(=O)O)N2	97952146	CNUOJWXPQWZPJF-WOOHHTBBSA-N	530.046	5.360	50	40	KKGB	
Cc1nn(CCC#N)c2c1[P@@](=Nc1ccc([N+](=O)[O-])c(Br)c1)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2	97983945	HDMSDQGTDSKRGN-FZMFVEGNSA-N	654.509	7.615	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100330280	GWPWCXPBCTYJDZ-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1	100336634	PWWZFEKTCNPAAS-ZDLGFXPLSA-N	533.647	7.517	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	101305033	UMBHMAPFDIECEP-SANMLTNESA-N	544.076	6.417	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cc(OC)ccc2OC)=C(C#N)[C@@H]1c1ccco1	101305298	XITLEULMMSPBKV-RUZDIDTESA-N	545.617	5.065	50	40	KKGB	
COc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)=C(C#N)[C@H]2c2ccco2)cc1	102257385	WFJSNYSLNCVRCD-SANMLTNESA-N	559.604	5.211	50	40	KKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Br)cc2Br)c1C	102529833	LOSGRLFGFWAICF-CXUHLZMHSA-N	523.225	5.129	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)[C@@H](Br)[C@@]1(C)CC(C)(C)C[C@@]2(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1	103750369	GNNDJWJSGUVPLJ-DCEDVJGZSA-N	549.418	6.078	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	105437429	BLBHVIAFAYSFKP-RWPZCVJISA-N	534.465	5.374	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)c(Br)c1O	111503443	IDPGHZYDSHVVAI-XFFZJAGNSA-N	545.025	5.624	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342043	ATBGYGMCHOTLAS-REOHCLBHSA-N	692.016	8.387	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(I)c2)c(C)c1	216041058	DARMLLUYIKLRRX-VYYCAZPPSA-N	624.260	5.784	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1ccc2ccccc2c1	408548975	ONTICMSEAHTKJD-JJFYIABZSA-N	537.226	8.147	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(Br)cc1	408549128	PLXHMPONOZGSJW-QRVIBDJDSA-N	549.262	8.017	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408550661	ISNWVQWCDPNPDG-KSEXSDGBSA-N	600.283	8.793	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc2ccccc2c1	408570469	VOCNHSXGALFQSG-NHDPSOOVSA-N	528.381	7.269	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408570801	YSTWUAHQLNVJIU-APSNUPSMSA-N	608.238	7.655	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc2ccccc2c1	408602634	DABJVNZDDIEZKC-ZVHZXABRSA-N	502.574	6.423	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1	408641345	KAJWVVWGFKIGEJ-NDBXHCKUSA-N	732.809	5.730	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(I)cc1	408677426	QPSNSEIEVLIPRC-OCSSWDANSA-N	603.888	6.286	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1	408686967	NYQHPVCOVASMMW-DJDHSFSDSA-N	602.696	5.321	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408742962	CYFUAGBDQBCQKF-ODLFYWEKSA-N	600.263	6.433	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(I)c2)cc1	408745790	VQCKYOAVRCSOFG-UYRXBGFRSA-N	542.348	5.954	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OCC	408754291	PXLBDOTWQSDVSX-QPEQYQDCSA-N	531.177	5.941	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1cccc(I)c1	408767375	WGKPSJVDGVRGPD-ZMOGYAJESA-N	549.162	5.037	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408795206	LPFZQNFQPULQHV-FYJGNVAPSA-N	550.409	6.443	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1cccc(F)c1	408795578	LOSQORMXWDWZNF-SRZZPIQSSA-N	570.402	6.571	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408799126	YDCPRASJHWXVAF-LZYBPNLTSA-N	730.094	6.691	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)cc1	408818930	PMGKNNKFBIQLSD-PLRJNAJWSA-N	548.712	7.395	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408831579	ZUIITIKDEVXNCL-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4sccn34)o2)cc1	408837619	JXTCMCKABHOGLE-FDVSRXAVSA-N	582.107	5.414	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408841624	FTPWXFRIQRHING-MWBNBJEGSA-N	632.525	7.842	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408855261	BBEARIGJVNZUFS-NDZAJKAJSA-N	537.682	5.145	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408858187	XKSZHPRDJSYIEJ-KVSWJAHQSA-N	540.216	6.637	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)c1	408859085	WFGDBCHJFNHCSV-QJOVZPHJSA-N	751.406	8.313	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408860023	QUYZULPSIAAMGO-KULFSUQXSA-N	735.484	7.315	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cc1ccccc1Br	408865008	ACBPHJRRRLKFFX-YBFXNURJSA-N	530.249	7.291	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)cc1	408874082	YERPXSKVDJGRJJ-RQZCQDPDSA-N	612.773	7.097	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(Br)c2)cc1	408880107	DFQJTQSDEVLWNY-ZVHZXABRSA-N	517.423	6.379	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1	408881723	OGXFAQKKQUPRDP-CXUHLZMHSA-N	521.809	6.269	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1Cc1ccccc1Br	408885144	XENSSIIDUJVZOR-UDWIEESQSA-N	554.282	7.055	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)c1cccc(I)c1	408885499	BAGONXVLOFJXAP-WYMPLXKRSA-N	664.113	5.348	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl	408903953	BRJWJHULXQIHSJ-NVJOKUIPSA-N	509.305	5.862	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccccc1C	408921345	AMFMUWSAUWTOAV-REZTVBANSA-N	638.245	6.948	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C(=O)OCC)cc2)c(I)c1	408948035	OQDRICSWHVFBAH-GDLZYMKVSA-N	882.515	5.537	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C(=O)OCC)cc2)c(Br)c1	408954113	YMMBNERKDQVWRF-SSEXGKCCSA-N	709.619	5.090	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408968773	YYXDKWJVBSQBCB-PNQUVVCRSA-N	523.870	5.288	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1C#N	408969382	MYJFAGMFIPYMHI-MLCSCPQYSA-N	621.532	5.277	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OC)cc1	408972166	TVCMGJOVLJBZBM-YYADALCUSA-N	528.649	6.966	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1	408976605	BCLBPUZGQYOAAC-ONWFOFBKSA-N	529.662	5.497	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1	408998228	ARWGLBYKQYBNPE-FDAWAROLSA-N	572.415	5.693	50	40	KKGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	409001138	USAPFSFSFWSROQ-BCHBDCPOSA-N	690.659	5.356	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1ccc(Cl)cc1Cl	409010272	BOSAXFIJXNPWCN-QFDQHJFZSA-N	814.039	8.453	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1ccc(C)cc1	409010357	KARIPYAZOQDLQI-VVEOGCPPSA-N	712.176	7.612	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	409014332	XIAULABEBQBPBX-ROPCREHHSA-N	686.319	7.689	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1O	409029607	BAAJZHOINUNETJ-MZJWZYIUSA-N	537.439	6.184	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O)cc1	409044487	VISZEPKMAHCJGF-CXUHLZMHSA-N	573.197	5.950	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	409065704	IXIBYXJBHVEHNU-LDADJPATSA-N	586.407	5.971	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409077413	DPIKKSOVDUXRGG-VCHYOVAHSA-N	536.928	6.510	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1	409115592	SFSIYXPDXDBPEW-FDAWAROLSA-N	568.482	6.127	50	40	KKGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc3ccc(Cl)cc3Cl)o2)c1	409153241	MEPWVRAHDVSIPV-RUTNCJFZSA-N	602.515	6.270	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(CC)cc3)c(OCC)c2)cc1	409164810	OEUABVBUEKSOBW-HNSNBQBZSA-N	639.547	5.695	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409185199	KGBHKQUZORNQFN-FADJLKOXSA-N	623.562	6.598	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1	409220223	ZOPVHUJFKUNWDY-MHWRWJLKSA-N	619.697	6.437	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccco2)c1	409223595	IUCIAYMOHXTAEL-UHFFFAOYSA-N	577.347	5.186	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc(OC)c1OC	409225934	TZJVPWHSXWGNAH-FZKWRIDDSA-N	602.043	5.530	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c2)c1	409227761	WKAIYDACUCNDON-UHFFFAOYSA-N	651.311	6.456	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1	409248258	DDCMEQFMAABUHY-YBEGLDIGSA-N	545.220	6.319	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1cccc2ccccc12	409249752	VMIAJDJCXQNCPG-LJUMEUDFSA-N	535.413	6.412	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409253788	GPDKMGAAKZATQV-FYJGNVAPSA-N	537.538	6.284	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)cc1C	409260010	JDUUEGNQQFHJHC-VCHYOVAHSA-N	512.368	6.313	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409263636	NGWFESOYVSKYPA-VCHYOVAHSA-N	558.849	6.917	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br	409264157	NHVOYPJCJMORCA-LICLKQGHSA-N	585.252	5.789	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409268439	ZSQCTABBGVWYEH-YSYOEVFLSA-N	695.028	8.694	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409272425	QDAXILZXWNZSCS-GRSHGNNSSA-N	615.855	6.133	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2F)ccc1OCc1ccccc1	409309786	MKIODDCHVORPFX-OHUYPAJKSA-N	577.450	6.909	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1cccc(Cl)c1	409310731	CQRDAAZZINEPSR-APTWKGOFSA-N	545.035	6.669	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409310835	CBZLDWFIDHRQIK-BJUCDSOZSA-N	607.969	7.185	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1OCC	409313030	ARRJEGUCDPPEMU-LQNQUEJISA-N	522.001	5.393	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1OC	409314511	KWZBKFCVOVCWIC-FDVSRXAVSA-N	590.389	5.355	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1OC	409318099	SWKNGFHMXSMDLW-KYHGBAKBSA-N	535.427	7.063	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409334615	UKPFUCFILDSSNU-NVJOKUIPSA-N	523.851	5.840	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1	409337493	VRAUHBGYKVQOET-BCHBDCPOSA-N	595.700	6.687	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=C(/C#N)c2ccc(Cl)cc2)cc1I	409355210	JQUZUSRPSDKAFX-AUWJEWJLSA-N	549.577	6.401	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)cc1	409364572	QGYJTAKTIBNZGQ-QGOAFFKASA-N	538.373	5.550	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)[nH]c2c1	409389778	ACDYNBKSAZMXOG-MFOYZWKCSA-N	582.354	5.736	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(Br)c1OCc1ccc(Cl)cc1Cl	409392354	PEIFBZMDFZEPSL-KVSWJAHQSA-N	568.251	6.212	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccccc1C#N	409406389	WNJQDRGOKPPRHN-KWQVAVEISA-N	667.560	7.642	50	40	KKGB	
COc1ccc(C(OC[C@H]2O[C@@H](N3C=C[C@H](SCCC#N)NC3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	675038112	MSRHXMSVMVEXQC-MWAROKLZSA-N	731.988	7.000	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3ccc(Br)cc3[C@@H]2[C@@H]1Cl	6445790	GRCLJBJEWJBFNF-LVTPPWGZSA-N	533.850	7.535	50	40	KKGB	
CCOc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1	8406435	YHFBUAIMAZYKFA-UHFFFAOYSA-N	536.492	5.260	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H](CSC(c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2C1=O	8619189	QWHIRBPVTLCCTH-AREMUKBSSA-N	538.581	5.688	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)n2C2CCCCC2)cc1	9428513	GUMUWOYUOUBKOF-MZJWZYIUSA-N	502.471	6.308	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1COc1c(C)cccc1C	13957025	YGZHSYWQRAERJE-DPNNOFEESA-N	524.617	6.316	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1	19952176	QIPWUIKTMLXOJR-VUTHCHCSSA-N	528.074	5.382	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	20233029	YLAQNMWNXOLFAH-DFKUXCBWSA-N	525.630	5.411	50	40	KKGB	
COc1ccc(OC)c(/C=N\NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3cccc(C)c32)c1	32665883	PJGSLDJTYJQJSW-VQNDASPWSA-N	517.629	6.841	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)[C@H]1c1cccs1	33355316	BXNCVLHDIJOFGI-QHCPKHFHSA-N	546.070	5.216	50	40	KKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	59646922	NVBXUUCAPSKYFG-VTNSRFBWSA-N	542.060	6.311	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3cc(C)ccc3c2Cl)ccc1OC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C	97946971	MOLSOESMPDSCDE-WJNWTODJSA-N	565.906	7.132	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)N1	97950964	NJGVOBDEXFHFHC-AREMUKBSSA-N	549.483	6.700	50	40	KKGB	
N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc(Br)ccc2o1	97960978	YLDVBCXEWSGRMB-WCMJOSRZSA-N	524.374	6.563	50	40	KKGB	
CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1c(Br)cc(Br)c(O)c1Br)CO2	97964141	OSDHLLMZCUZNFG-WJFAMCCRSA-N	591.094	5.267	50	40	KKGB	
CC1(C)C(=O)[C@](C)([C@H](Br)C(=O)c2ccc(Cl)cc2)C(=O)O[C@@H]1c1ccc(Br)cc1	98005069	ADXWRPVULOFEOR-HMFYCAOWSA-N	542.651	5.948	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126098	DHNUXDNCAIWCFO-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	100132340	SJHRHBMWLGOYKA-ZMGVVAQMSA-N	613.523	5.683	50	40	KKGB	
CCCOc1c(I)cc(I)cc1/C=C(\C#N)c1nc2ccc(C)cc2[nH]1	100164866	NMFFSEMNPCRLEG-RIYZIHGNSA-N	569.184	5.934	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	100179144	ABPJTMGZXIZPPO-STBIYBPSSA-N	589.070	5.090	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(-c4ccccc4)cc3)nnc2-c2ccccc2)cc1	100859064	HBEVIHWOTCNLTA-WEMUVCOSSA-N	533.657	6.242	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(-c4ccccc4)cc3)nnc2-c2cccnc2)cc1	100859847	WJIKPUORCYRPNI-STKMKYKTSA-N	548.672	6.028	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1	100989452	ZDSPKCAVXZRTKC-CKVBZJJFSA-N	522.399	5.653	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3N[C@H]2c2ccccc2Cl)[C@H]1Cl	101076830	MFHGWWLWCZKEAZ-HGGDBFGZSA-N	540.299	8.594	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCCCCCCCCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	101133589	STNASBDZXLIGOD-WXGDAXOSSA-N	614.740	5.240	50	40	KKGB	
O=C(NNC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl)C1c2ccccc2Oc2ccccc21	102188581	LIUUITMRHMPARO-QQVJTJINSA-N	611.092	5.234	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102808482	QCOCXUZNWCVYQH-MHZLTWQESA-N	575.046	6.059	50	40	KKGB	
O=C(CCCC(=O)NNC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)NNC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	104081986	MDZWYGQIQIDIIM-VHJMTFITSA-N	606.647	6.693	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	104699829	UNOKMOSZMNCHLT-VKNYOKJRSA-N	524.640	5.638	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)CSc3nc4ccccc4o3)C2=O)SC1=S)NNC(=O)CSc1nc2ccccc2o1	195799111	JRLJLGGBAPXCJO-QVIHXGFCSA-N	901.134	5.201	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	408539496	WQKUCXXCRCNFIE-YBEGLDIGSA-N	551.235	6.625	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408543362	QOVYAJXWSIPYEP-JAIQZWGSSA-N	512.787	6.843	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1	408555194	WGMFQLIQGJHPKK-OQLLNIDSSA-N	563.210	6.458	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccccc1Cl	408588254	IRLOTKZNGQVVNV-LGJNPRDNSA-N	513.766	5.712	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Cl)cc1	408660730	WTMBMZRXLQANAA-YUEHCAIXSA-N	629.132	5.011	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)Cn1cnc2ccccc21	408691802	QWAWKBZYKLKVSP-ODLFYWEKSA-N	523.228	6.747	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccccc1C#N	408711602	BEFZSDXLKOXSQH-CCVNUDIWSA-N	559.791	5.558	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408762006	JCYWSTJZOBKCBG-SXGWCWSVSA-N	596.286	6.386	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1	408764823	SVYAUFUFPUMZOW-FMFFXOCNSA-N	561.619	5.226	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1	408784537	UHWNMWJVISYSNB-CLCOLTQESA-N	520.589	6.719	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)c1C	408788161	ITLWFAWVPXLLGY-RGVLZGJSSA-N	587.255	6.795	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1C	408790399	VYUZFZMAJSZKQP-UDWIEESQSA-N	542.804	6.686	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1cccc(Cl)c1	408803704	SIBALKAPKLVKJW-VXLYETTFSA-N	558.803	6.386	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1	408812878	PUPHSTDGWUCIQM-GZTJUZNOSA-N	526.376	5.574	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408828457	MURNNSPHPQISSK-KEIPNQJHSA-N	653.986	6.399	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408838723	HOHYZOHHGHNVDI-AMVVHIIESA-N	646.792	8.061	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408844786	INYRPHYLPBUMLT-KOKCXWAISA-N	710.399	8.716	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1	408846232	XYLMWJNKGORMPP-JJKQSNDFSA-N	715.333	7.544	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(Br)cc1	408852621	UZKHMNPMEGVJBZ-BHGWPJFGSA-N	554.080	6.146	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc(C)c1OCc1ccc(Cl)cc1Cl	408855677	GFBXFGIBPVCSMP-KPGMTVGESA-N	520.460	7.361	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408856887	RTFOXWKEQPEUEF-ACXHZZMFSA-N	577.431	6.364	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1	408861673	UPIUCDZGHWBSFH-RQXXSLPSSA-N	678.767	5.881	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1Cc1ccccc1Cl	408873598	STFOEILANVFNER-LICLKQGHSA-N	560.673	7.010	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1Cc1cccc(F)c1	408874177	ZSDLYMOGYVVRJJ-GIJQJNRQSA-N	513.794	6.777	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C(C)C)cc3)o2)cc1	408874636	CWORBRPCTKLVQT-MZFJOGFUSA-N	572.687	5.191	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1	408881225	KGBVFLNBOIBNAM-RVDKCFQWSA-N	749.778	8.198	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)c(OC)c1	408884726	ZBFUVHDEIACJQF-CIAFOILYSA-N	508.416	5.406	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Br	408887460	OOKMHQNZNUXAER-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3C#N)c2)cc(C(C)(C)C)c1O	408887653	SFJIXQSMQSKLCO-HNSNBQBZSA-N	542.636	6.642	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccccc1Cl	408890730	YGKDEOQLDNOZIK-WOJGMQOQSA-N	544.776	6.078	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OCc1cccc2ccccc12	408891614	UAPRSBLULUCKED-FYJGNVAPSA-N	513.937	6.535	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccccc1	408892716	BZVJXRXWVFXAOH-AJBULDERSA-N	609.498	5.002	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408896044	MOQLGIMQEIHCBI-GZTJUZNOSA-N	592.386	5.061	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1cccc2ccccc12	408904263	HFYMSNCKDSTATJ-ACXHZZMFSA-N	658.334	7.649	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1ccccc1	408922121	DHPVYEDIUZJQHB-QUPMIFSKSA-N	572.624	7.729	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)c(OC)c1	408954262	NGFTVFUSZARMQZ-FWUIRIOGSA-N	715.985	5.419	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1O[C@H](C)CC	408956141	YUPAWMOTNQVKMC-ICMWUGKSSA-N	574.519	7.555	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)c(OC)c1	408956267	QGADDTXELVDQII-VVYBVRPNSA-N	764.855	6.173	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccccc2C#N)c(OC)c1	408957310	UCVHJHWSPMRTLU-DLVDTJDKSA-N	710.969	5.282	50	40	KKGB	
Cc1nn(-c2ccccc2)c(O)c1/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(F)(F)F	408957629	VHNQDMGEAZEWBK-NSGGGSHWSA-N	501.292	5.043	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N\NC(=O)c5ccc(Cl)cc5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	408958432	YTXIJYGFMIKVJL-WEHOBKOGSA-N	580.471	6.268	50	40	KKGB	
CCOc1cc(/C=N/Nc2cc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCCBr	408971055	GUPPCZFXVLICOA-ZXVVBBHZSA-N	531.499	5.076	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1F	408983635	MYQBAZVAUVVLCE-NVMNQCDNSA-N	529.793	6.683	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C#N	409008288	VGKYNSOGIWGEJD-ULPWCQAASA-N	545.478	5.000	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccc([N+](=O)[O-])cc1	409017305	FQSMJDPLVVULHH-XODNFHPESA-N	664.250	6.450	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409041593	KCBLOGKJDFQLNH-LZYBPNLTSA-N	509.286	7.276	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409042039	XEOGTVMWCSTCKM-AABVJFSESA-N	652.401	8.966	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)Cc2ccc(Cl)cc2Cl)cc1	409061910	JXWHPUFHBPPMIA-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409062945	DHXILLHHWZVKCD-HZHRSRAPSA-N	541.608	5.621	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1	409071318	QNMIUHMIGILWNM-LFIBNONCSA-N	624.840	5.275	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409076563	ANYMEGUSDXRMHR-WOJGMQOQSA-N	568.464	6.597	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)Cc2ccccc2)cc1	409114752	LATZGILCLHQNET-TWKHWXDSSA-N	513.619	5.129	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1	409116269	JTWHQUWZOMWIPS-MWBNBJEGSA-N	721.457	7.088	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	409212549	QXWRJILYAKBSND-WKULSOCRSA-N	539.882	7.077	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2Br)cc1	409219980	SICDTGWHHMFZFK-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	409221857	BHJUEKFETUAGTJ-OHUYPAJKSA-N	612.595	5.164	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	409222132	ACEZWYYBILILAQ-OQLLNIDSSA-N	535.214	6.863	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409227445	YNBSSEVXEBMILD-LFABJMPPSA-N	602.872	6.738	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409242496	VHVRPOBDLKQITB-XKZIYDEJSA-N	598.291	6.145	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccccc1C	409252869	FICIUIUIAQZMLX-XKZIYDEJSA-N	562.464	6.336	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1	409253285	FLNAGZURXUAZQV-ODLFYWEKSA-N	538.387	5.652	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409255970	MWTSTOUSHPEYRE-WJDWOHSUSA-N	545.220	6.319	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409264644	QOQRWQCEJVNIQT-XJECJHNESA-N	630.557	7.950	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)ccc1OCc1ccccc1	409312169	DPVDABUMMGAPBO-OHUYPAJKSA-N	638.356	7.532	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1OCC	409314496	GJNVCGBXYOIHMX-NUJZUDFISA-N	610.730	7.005	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)ccc1OC	409315024	MCZWOKSTXXBPGF-MUXKCCDJSA-N	547.833	5.861	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1F	409316354	YPLFKZGVQKYAMZ-APTWKGOFSA-N	528.580	6.155	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409320634	CFNGFTKCRFMFIP-ULPWCQAASA-N	645.328	5.800	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1	409342875	HPLVMNXDAGJYIJ-CCVNUDIWSA-N	516.823	5.642	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409364789	PGUYKHWVNQYVQP-OCKHKDLRSA-N	523.339	6.128	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12	409366221	SYNJOBUGIUHQFN-JVWAILMASA-N	507.375	5.377	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)ccc1OCc1ccc(Br)cc1	409371098	DBNREFZTAXHEMM-MXAYSNPKSA-N	547.203	5.392	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc2ccccc2c1	409374606	UUDBUSJXVOVUEM-QRVIBDJDSA-N	571.418	7.281	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1F	409379162	VFOIPTOFWPMFOS-WBIBEUCMSA-N	623.710	7.181	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409379696	ZNTAMGWQYCEQQQ-HQDYHJHZSA-N	656.562	7.106	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409381634	VCZCIRCOMAOAHP-NVMNQCDNSA-N	702.128	6.333	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409394884	HCAUSBAVXJOEBY-UHFFFAOYSA-N	703.977	7.234	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)c1	409396040	VQJHSGTZUJGFJJ-UHFFFAOYSA-N	694.323	7.194	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cccc4c3-c3ccccc3)cc2OC)cc1OCC	409398608	UUVNUWMSXVYOBL-UHFFFAOYSA-N	591.664	6.932	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1O[C@@H](C)CC	409403873	OJJZILPCNVYIBU-AFBLFKSCSA-N	569.702	7.335	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc(C)c1	409405655	UGNZCKAONPQONV-UHFFFAOYSA-N	642.550	7.689	50	40	KKGB	
CC1(C)CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1	504124365	ITFBYYCNYVFPKD-QMXDZIJSSA-N	541.736	6.743	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	1529547836	PQOCRNAUZDUWSX-RQQSEGDXSA-N	860.512	6.513	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1	1529548991	RQCWPPYZKMWWGX-JKYKOXDNSA-N	795.348	6.438	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2C#N)c(OCC)c1	1529549229	WEGGCGXQDYVTKZ-ZEVLEAJLSA-N	662.168	5.074	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1	1531387194	QCIFCUDAVQWVBV-UXHLAJHPSA-N	504.502	5.382	50	40	KKGB	
CC1(C)CCC(C)(C)c2cc([C@H](N[S@](=O)C(C)(C)C)c3ccccc3P(c3ccccc3)c3ccccc3)ccc21	1857795179	RNECRLNZVHVLRD-FJOUAFLFSA-N	581.806	7.935	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccs3)cs2)sc(C(=O)Nc2ccccc2OC)c1C	1899804	CILGQPWOQQFYJM-SSZFMOIBSA-N	550.687	6.656	50	40	KKGB	
O=C(N/N=C/c1cccc(I)c1)c1ccc(NC(=O)c2ccccc2Br)cc1	3090794	ZMQVWGZZSAIGPG-ZMOGYAJESA-N	548.178	5.070	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/C=C/c1ccc([N+](=O)[O-])cc1	3212133	IVNGSVGDHTVDCS-JLYHNWEPSA-N	562.012	5.077	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)cc2)cc1OC	3243891	RCUHWPSDMPQFIN-JFLMPSFJSA-N	505.372	5.083	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccccc1Cl	4196293	OBPBCZMVJOTVSZ-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Br)cc1)N2	6445841	KYBQEDLMFBSDRF-RNBKDOAQSA-N	594.940	6.043	50	40	KKGB	
Cc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(OCc4ccc(Cl)cc4)cc3)CC(=O)N2C1	12251089	WWWOJHGQUZLMMR-DEOSSOPVSA-N	502.039	6.447	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1O	59856372	DMRGMUSQIAKMGC-FDAWAROLSA-N	564.063	5.522	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	97964217	OQSLFCCOZNQCHP-KKUHPXAOSA-N	632.456	5.871	50	40	KKGB	
O=C(Oc1ccc(Oc2c(F)c(F)c(Oc3ccc(OC(=O)c4ccc5c(c4)C(=O)OC5=O)cc3)c(F)c2F)cc1)c1ccc2c(c1)C(=O)OC2=O	97983011	JPNGFOFTEVRYIT-UHFFFAOYSA-N	714.488	6.887	50	40	KKGB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21C(C#N)=C(N)N(c2nnc(SCc3ccccc3Cl)s2)C2=C1C(=O)CCC2	98007214	RJGVKGVZGKRFSS-MHZLTWQESA-N	595.537	5.857	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)Cc2ccccc2)cc1	100129188	ROBFQXKARYRWDT-KYHGBAKBSA-N	583.541	6.051	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(C)cc2)cc1	100242977	PAAFHURSQNPFJX-BIZUNTBRSA-N	562.667	5.286	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	100343890	CVCIFDIQXNSYSY-KCSSXMTESA-N	608.120	5.060	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(OCc2ccc(I)cc2)cc1	100407766	LFWOHIUFUQPRIV-MUXKCCDJSA-N	538.307	5.582	50	40	KKGB	
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)N/N=C/c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3	100455837	JWWQZKQLMZYFMN-MWBNBJEGSA-N	603.660	6.768	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1	100990621	WAAIGPJHOQMXEX-OGCOBRASSA-N	566.908	5.888	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)sc2c1CCCC2	101001110	FLQWJTUEUXNKKX-MUUNZHRXSA-N	612.777	6.510	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(OC)cc2OC)=C(C#N)[C@@H]1c1ccco1	101305318	IKYKBRQTHFEEPB-RUZDIDTESA-N	545.617	5.065	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	102809838	KZEDRZJCPQPVBA-AREMUKBSSA-N	601.025	7.204	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1Cl	103890780	JKLSUGPVNNJPNH-UNOMPAQXSA-N	576.705	8.262	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1cccc(Cl)c1Cl	103891008	RPQNNJRLRLGAJX-ATVHPVEESA-N	549.195	6.723	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)c1	103896424	LSCLMNJTKOVLSK-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccc(Cl)cc1	104899405	KILGPNVWDPTJSR-MUFRIFMGSA-N	538.829	6.245	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(=O)c5ccccc5)CC[C@H]4[C@@H]3C[C@H](Br)[C@]2(O)C1	118912423	TZBBEXALLZOART-INZFWDIDSA-N	533.503	5.675	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341798	RUVGQMKKVSGKLP-GOSISDBHSA-N	798.444	13.061	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	150366076	ZPMKQXZEBKQIFY-QXUDOOCXSA-N	666.112	5.253	50	40	KKGB	
CC(C)(C)c1cc(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O	150386500	SGYOHBNXGOZOAE-ZHEAWEGVSA-N	662.960	9.009	50	40	KKGB	
C[C@]12[C@H](c3ccccc3)C[C@](C#N)(O[Si](C)(C)C)[C@]1(C)[C@H](c1ccccc1)C[C@]2(C#N)O[Si](C)(C)C	257352504	LRHBAWMZMYGFDN-NHODMIADSA-N	516.834	7.602	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1Br	408539235	GEZAUUGOVDBCQO-CEUNXORHSA-N	566.378	8.057	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	408552484	IXELNLQJDRXYJL-FZPRHHONSA-N	578.452	6.362	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408552902	SEQVDLZEJPOJAS-LGUSAWBASA-N	545.637	6.735	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2Br)c1	408567574	FRFVVZPURBRZHJ-IPPBACCNSA-N	636.431	7.107	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408688354	WCKIHPSYCCRGDG-BDXSIMOUSA-N	589.111	5.473	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408689771	ZAZZZOKOCCPHMS-GFBDQPOWSA-N	601.122	5.329	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccc(I)cc1	408710561	HKZDHKQUGPWRMU-JFLMPSFJSA-N	560.388	5.050	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OC(C)C	408711622	BRHFAQPJHBBUCY-SSDVNMTOSA-N	531.188	5.004	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	408728288	JIZVCTPAFSBFLT-FDAWAROLSA-N	552.483	6.461	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)ccc1I	408747788	SYHCIUFQBBRCCZ-KKMKTNMSSA-N	585.225	5.958	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408762736	LBWGINIJGFWPAR-DEDYPNTBSA-N	555.450	5.778	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(OCC)c2)c1	408766781	RTDZXMJEWLIBPG-LDADJPATSA-N	616.446	5.468	50	40	KKGB	
COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)sc2c1CCCC2	408768498	XKBVYLPFTCFFIF-PDGQHHTCSA-N	538.467	6.129	50	40	KKGB	
COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)ccc1OCc1ccc(Br)cc1Br	408783009	JFGSNFHRDBJVCW-MBPMCGDPSA-N	607.306	6.007	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	408783275	NMYVPMWXFHNVQM-CHHVJCJISA-N	512.629	5.876	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1	408790751	YGABGPSSPJVWOR-REZTVBANSA-N	672.663	7.121	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1C	408798799	WZHKCOODUODJSU-VXLYETTFSA-N	621.700	7.449	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408810002	ITLDISDLYFKLMU-NHFJDJAPSA-N	555.590	7.452	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408825037	IWZOZCBHSPQTDY-NNLKUIAGSA-N	767.282	5.696	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccccc2)cc1	408832660	VMLITZUGFRKCAQ-PPOKSSTKSA-N	563.679	6.073	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OC(C)C	408833152	RNTNUVOEWUNSDA-VXLYETTFSA-N	590.301	7.676	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCc1ccc(F)cc1	408836381	QRZYNDQYFGFYPS-GIJQJNRQSA-N	589.845	6.782	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2sc3ccccc3c2Cl)cc1	408838503	FVHOOKCHTXXVFU-FABQOPTDSA-N	646.950	7.482	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839559	UJAUHNSIWQLTPJ-SAEPALGJSA-N	715.016	9.308	50	40	KKGB	
COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408840511	ZAVJOKNKFKRTAW-VVEOGCPPSA-N	676.920	6.136	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)/C=C/c1ccccc1	408840667	ZTCJOJBTEYDXIV-MEDVDGOMSA-N	547.611	6.029	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1cccc(F)c1	408842042	HZXSIVZLQKGYKH-KULFSUQXSA-N	635.548	8.741	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	408843616	MKWSGUJCDPLQHK-KBVAKVRCSA-N	601.413	5.901	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1cccn1-c1ccccc1	408848154	QITMQTZVEOGDCU-ZMFRSBBQSA-N	528.204	5.080	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408861553	BSRIEQLYRKFSNE-GUNNKUNCSA-N	579.234	6.415	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408863593	NSOSCFLRFWZHOV-AMVVHIIESA-N	597.307	6.906	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1Cc1ccccc1Br	408868571	PGYIHLAUHRTMIR-VCHYOVAHSA-N	608.252	7.766	50	40	KKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Br)c1	408870244	WAAXNQZRCIKIKI-KEBDBYFISA-N	514.250	7.509	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408876449	LGRSKCMNCHFYNH-KEIPNQJHSA-N	606.144	6.226	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccccc1C	408893097	FHEKPPYXRIROPD-VXLYETTFSA-N	649.177	7.724	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(F)cc1	408900202	UAWUHQBPXNAYKB-HBHSWBPBSA-N	698.480	7.320	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(Br)c1OCc1ccc(Br)cc1	408910018	IODREXNXAWJUKU-XODNFHPESA-N	576.285	5.945	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925309	QYOOHUMXJFWWRP-MHWRWJLKSA-N	594.860	5.927	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(OCC)c1	408943182	HDVKQLVXIXJGFB-XIFFEERXSA-N	687.218	6.356	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1cccc2ccccc12	408945463	KWGHFGSCYJWOQR-HKBQPEDESA-N	860.512	6.513	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)c(OC)c1	408950300	GUHXXBAICBCHIA-FRMANHBFSA-N	665.541	5.065	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	408951994	UUIFELMXTGJLLE-NDEPHWFRSA-N	657.576	5.466	50	40	KKGB	
CCOc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1	408972233	OBDYGKRBENXGKC-ISOKAZHDSA-N	528.436	5.037	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)NC2CCCCC2)cc(Br)c1OCc1cccc2ccccc12	408973334	YMNLHIQNIWPBBE-STBIYBPSSA-N	524.459	6.546	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4ccccc4)cc3[N+](=O)[O-])sc2c1	408989791	IXFMKMIYINOFKL-RCCKNPSSSA-N	591.674	7.462	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1	408993307	VLTRCNSCJCXUPW-CPNJWEJPSA-N	660.564	8.769	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408999764	RSSAZTFLYZJDDD-RXKJZGMASA-N	602.515	6.141	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccc(C)cc1	409000704	FNRPGVJKCIWHJE-HNSNBQBZSA-N	600.469	6.392	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1	409003501	SJFKEBZEDUMJOQ-MUFRIFMGSA-N	562.376	5.286	50	40	KKGB	
C#CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	409016660	RCIAJYKAQCZZBC-OIDVGNHBSA-N	552.458	5.042	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409031250	JROXMHPBUWWJHD-MJXLXAJKSA-N	706.334	7.341	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1cccc(Cl)c1	409032845	DPMQZWHBQKMOKU-KVAAJVFYSA-N	603.531	8.212	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409043202	YDWQSHYKPNKCPA-FZPRHHONSA-N	615.871	7.569	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)cc1	409048662	UFIJAGKVDAUECN-FYJGNVAPSA-N	503.385	7.280	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409072529	CMZWJPRXKPIPJW-XDHOZWIPSA-N	575.868	5.492	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCc1ccccc1	409119671	XNCDDTPOYWRCIO-AJBULDERSA-N	543.645	5.172	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1	409168760	NKAKYJNHYPLHHI-VFLNYLIXSA-N	563.825	5.152	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c1	409187499	RFLZJPNWFPDCEP-UNOMPAQXSA-N	556.254	6.735	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409222589	CJLCIGIGNRRVRI-LICLKQGHSA-N	636.273	6.560	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409226308	UTZCKBAQRIKBKU-UHFFFAOYSA-N	565.582	5.358	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1cccc(F)c1	409240043	PJIYVZCCTKTULF-MUXKCCDJSA-N	503.343	5.398	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)ccc1OCc1ccccc1	409249064	GLCYLNFMWVLGNA-FZKWRIDDSA-N	572.061	6.408	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409259251	XSKHOMXXSXJIHT-VXLYETTFSA-N	557.956	6.547	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)ccc1OC	409304474	RFCRTJSLBBPTIM-VYYCAZPPSA-N	537.421	5.241	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409321871	VHCFVSYAQQURKH-QMRORBIVSA-N	658.376	8.085	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)ccc1OCc1ccccc1	409322528	LSGUSKJKKKMRSR-CAQPMQTCSA-N	544.007	5.709	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)ccc1OC	409333834	JTYJQUFBDWEHII-WGARJPEWSA-N	612.296	5.151	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	409364079	WGUWCFQTCWJJPZ-KKMKTNMSSA-N	551.666	6.006	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OC)c1OCc1ccc(Br)cc1	409384524	DDSDGBAQHSLHBF-WKULSOCRSA-N	580.460	6.652	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409385459	KNLURYDZGKWQFE-LUOAPIJWSA-N	562.804	6.707	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409394680	DOBJXKDYNUEAPX-UHFFFAOYSA-N	765.083	9.412	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1	409394714	FAMBQGPFLGGRBU-UHFFFAOYSA-N	606.860	7.226	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397243	HVHNJYAYTLLMSD-UHFFFAOYSA-N	657.123	6.572	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409397489	KJOSQYHBHKHGBT-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397678	MRJCNKDFSROJRH-UHFFFAOYSA-N	612.436	6.318	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)O)c1	409400270	CKUSGZUJZZAQOR-AEUUOICLSA-N	638.633	6.224	50	40	KKGB	
COC(=O)[C@H](C)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401532	HLCFCWHBAHBMAG-KUVSIYKGSA-N	550.011	5.624	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(CC(=O)Nc4ccccc4F)c4ccccc34)o2)cc1	409402989	LPKCSMMKAHMERN-KWQVAVEISA-N	617.681	7.071	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)Nc1cccc(F)c1	409404638	QNFVVBORUYLOOM-GZOMZLSJSA-N	703.565	7.348	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccccc1	409407751	HDTVWUIHPWBCFY-IPHFVPNQSA-N	577.637	6.648	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1	659890	YXSSHVKLVATSEV-WRONEBCDSA-N	536.588	5.619	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/C(Br)=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1874607	GGVNDHQGYVGGTP-MKXSWHDLSA-N	588.575	7.170	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)ccc1OCc1ccccc1	2553772	FTQKDMRJCOWUNN-FSJBWODESA-N	530.049	6.829	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccccc1Cl	2696228	IJPQKFSEXVJRPC-LGJNPRDNSA-N	527.831	5.044	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1	2698463	UFOHXVXBAMXVPE-RWPZCVJISA-N	535.471	5.458	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccco1	3081189	SZRCUHBERBAYKM-YCPBAFNGSA-N	591.039	5.860	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	9203268	HOJGACJKAWXQJI-XODNFHPESA-N	515.238	6.452	50	40	KKGB	
Cc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4Cl)cc3)CC(=O)N2C1	12251079	TZVAAVZOQNNNRJ-QHCPKHFHSA-N	502.039	6.447	50	40	KKGB	
COc1ccc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N	97944464	AJAQKWMFKZGIDZ-HIBJJWFISA-N	562.686	7.052	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1	100062800	CUWSKAREZNGINB-WGARJPEWSA-N	532.232	5.492	50	40	KKGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1C	100100157	SNUKMTKGNQCRJF-WCMJOSRZSA-N	566.952	7.875	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1Cl	100226584	FFQZDPDCNLIRED-ZDLGFXPLSA-N	593.248	7.121	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	100227686	DVIDLRUNTQFCCI-ODLFYWEKSA-N	605.226	7.004	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(C)cc2)cc1OC	100303900	RGYXTMFCICZGTB-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C/c1ccc(Br)o1)N/N=C/c1ccc(Br)o1	100840559	JVERNGDKMVVHIG-RNIAWFEPSA-N	544.244	5.119	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Br)s3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852132	BMWSJFJRYHABMB-RWPZCVJISA-N	584.565	6.307	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2cccc(C)c2)=C(C)N1	102808260	JCUDHFGLZMMGJV-MHZLTWQESA-N	528.634	5.693	50	40	KKGB	
N#CC1=C(SCC(=O)c2ccccc2)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	103527067	JXMXTBYBCBUSNL-TZBSWOFLSA-N	563.022	6.190	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	103897878	UNCZKSGFTKFRAS-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	150347828	FDXDQKRJKUYPBC-VCHYOVAHSA-N	654.673	6.982	50	40	KKGB	
ClC[C@@H]1COc2cc(Br)c(Br)cc2OC[C@H](CCl)S[C@@H](CCl)COc2cc(Br)c(Br)cc2OC[C@H](CCl)S1	150355314	XBMCKLVQXOBVAV-YHUYYLMFSA-N	902.014	9.862	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C\c1ccc(Cl)cc1Cl	150480082	AUKGUCDDGHXXCA-FTHJUIQYSA-N	680.420	7.891	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	216066460	HGERBBZRPWPHOK-FJEPWZHXSA-N	580.306	7.286	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408537214	CZFWJKIBGYGNAJ-PKAZHMFMSA-N	534.612	6.716	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccccc1	408540219	ORZNLRJCGPWWRD-IDWIKUEFSA-N	609.520	7.462	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543103	OXDMPDIUZCDFQI-ULJHMMPZSA-N	513.569	5.585	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(C(=O)OCC)c1C	408546028	CPIRPFQZIUMDCB-FYJGNVAPSA-N	552.048	6.361	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408613241	ZWERTLBFOLFXJN-KRWDZBQOSA-N	530.408	5.086	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)c1	408641028	JFDCUHGMABZNEJ-YCAMKHIRSA-N	767.254	6.383	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)ccc1I	408746764	GSYQOCRTASEDMM-JFLMPSFJSA-N	523.374	5.375	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)ccc1I	408747272	LLJARRJIHVHEKG-KBKYJPHKSA-N	783.098	5.760	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)ccc1I	408747881	VEHMIRYISPQDTE-GXBUFBABSA-N	631.901	7.842	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)C(C)C)cc1	408756053	SZEXDKKHBQAFBC-PKEXHZLISA-N	701.459	5.049	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Br)cc1	408762197	DEWBBYNVPJEEQH-WJDWOHSUSA-N	516.178	6.521	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(I)c1	408763652	QCFOQGXGLRKHJX-XNTDXEJSSA-N	654.236	5.275	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	408772467	LUGLTSGLUCHJFF-ZCTHSVRISA-N	572.484	6.101	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408787571	BYMFKJCSIOPJLV-OEAKJJBVSA-N	652.770	8.569	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408788381	JTYHXUYNXWSSCB-VCHYOVAHSA-N	511.759	5.925	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408795769	MMPUPYZBISSLCZ-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(Br)cc1	408797200	QIBNRLCDVOHSBP-GIJQJNRQSA-N	637.699	7.149	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408797390	RLPFSDOBIQVFIR-VXLYETTFSA-N	521.913	5.168	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1cccc(C)c1	408797422	RONOIGMVBOBCEO-KEBDBYFISA-N	525.830	6.853	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)c1	408799064	XSVZJYAOJCNRKZ-CIAFOILYSA-N	505.368	5.889	50	40	KKGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1	408806669	AVSYJEPYNPCJLE-VOWJQMTESA-N	519.001	5.208	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(Cl)cc1Cl	408815065	RLNGCLXIXYDAKP-PXNMLYILSA-N	550.211	7.028	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)cc1	408829407	JKKIQGFQAQBFPE-KVSWJAHQSA-N	612.771	6.836	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408837273	BJTHXZPWALCFSB-UQQQWYQISA-N	560.075	5.856	50	40	KKGB	
O=C(NNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408840051	XGZFSYNXKVPJGJ-UHFFFAOYSA-N	529.361	5.443	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccc2ccccc2c1	408843940	SWPUBAJWYILDOH-MHDJOFBISA-N	547.606	7.159	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1	408845997	XCMWKGIVRXEFKQ-JJKQSNDFSA-N	715.333	7.544	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC(=O)O	408847820	SKNUBXCDLUJQCP-UHBFCERESA-N	517.969	5.342	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c2ccccc2)cc1	408855766	DIGLKWRMRUSYNZ-BIZUNTBRSA-N	638.540	5.391	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408862842	IEIUCTHJOSXINO-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408864635	YRWBRAUWOMYWQV-FJEPWZHXSA-N	571.486	5.513	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1Br	408883512	VNLOFWCSTPKOFD-VCHYOVAHSA-N	579.800	7.645	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1Br	408897492	XIBOZIVAOGHPEP-XDHOZWIPSA-N	511.803	6.544	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1	408898830	XWNVQLPYVBDGMR-WOJGMQOQSA-N	541.969	5.269	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904125	FCYCMRVNBWUSNB-BCHBDCPOSA-N	502.285	6.130	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408940304	CCIMEEKXIZSCTJ-MHZLTWQESA-N	785.342	6.982	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCc2ccccc2Cl)c(OC)c1	408955768	PFQCNFXCYWWBDC-SXWOMVPGSA-N	762.985	5.261	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408968910	CUCKZEAIKRWRDW-OOHQMJCBSA-N	556.490	5.817	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1	408969459	NUGSBDMANSGFDN-VSYGGIFWSA-N	627.572	6.950	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccc(Br)cc1	408970685	BXXZQSPBPVNEDU-NIVXUIPCSA-N	610.549	5.795	50	40	KKGB	
CC(C)Oc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408972031	OKELBNBKRIEYNY-RPVKJJGWSA-N	542.463	5.426	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408984219	QAXLNGNLSXHXTN-VCHYOVAHSA-N	556.800	6.452	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1Cl	408993657	WZKKZSCPJLTWKL-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1	408995916	FRMZCAHSZYLCIZ-FDMPGDAISA-N	568.029	6.374	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cccc(I)c1	408997128	RLBKKGHTKHBHHO-ZMOGYAJESA-N	582.179	5.239	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1	409044757	DCGYGOVBOXNUTQ-KGENOOAVSA-N	625.463	5.960	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409048516	OZRSMWWMVKWQMD-IDWIKUEFSA-N	586.489	8.160	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409048751	TWZNFFDINYQXNN-RQZCQDPDSA-N	532.163	6.902	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1	409050162	ZREHSEOTHNPUDA-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
Cc1c(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N	409054315	IWUHQNDFCBWJLV-MJXLXAJKSA-N	525.490	5.502	50	40	KKGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1	409091064	SSSDVEWUOGNDOS-BHGWPJFGSA-N	578.160	5.053	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccc(Cl)cc1Cl	409097890	HSYILXVEWKORSV-DEOSSOPVSA-N	576.230	6.290	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	409122409	YDQGPWFGJZQXIG-OCSSWDANSA-N	691.389	5.807	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccc(Cl)cc1	409140090	HVLRRURYLYCOKT-KKMKTNMSSA-N	629.676	6.154	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1cccc2ccccc12	409179356	RKXRYTQWYDGBTR-SBUQWBNKSA-N	597.674	6.960	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409215973	CQDCVEXCJLALCT-IPBVOBEMSA-N	544.287	7.130	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409217295	BCWJCCJICHLSOE-MBTHVWNTSA-N	532.896	5.077	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1	409225369	POFOZTUAWFGEFC-UHFFFAOYSA-N	624.413	7.012	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c2)cc1	409226433	WDXWEGGJOKZXJJ-UHFFFAOYSA-N	562.376	5.286	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	409227726	VTBDYURCYOOGEA-HPYSVAQWSA-N	564.016	5.375	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)NCCCc1ccccc1	409240811	PYOLMAZHQDRBNC-BKUYFWCQSA-N	572.272	6.586	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1	409266092	OOPJYRXFOJALDR-FYJGNVAPSA-N	578.463	6.036	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)ccc1OCc1ccccc1	409309015	AABIUMXGCJWZKY-FZPRHHONSA-N	548.998	6.418	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409319367	FBYFAYYLVFYXDH-UHBFCERESA-N	575.887	6.642	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	409349891	RWBWCSJNFLTVKR-FJEPWZHXSA-N	522.830	6.397	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409356072	DWQTVQJROLFCQY-IPBVOBEMSA-N	724.562	6.453	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	409372277	JTJLGWBMOAWODB-ZRGSRPPYSA-N	584.197	5.778	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br	409387904	YFBZCQAQJWCMLL-DNTJNYDQSA-N	513.167	5.107	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409395122	KDESLVQEXOHJBP-UHFFFAOYSA-N	732.294	8.204	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccco1	409395911	TXEHFKRTIGFUKF-UHFFFAOYSA-N	657.318	8.089	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(C)cc(C)cc2c1-c1ccccc1Cl	409396919	CYWQCVULUHOKOP-UHFFFAOYSA-N	586.475	7.750	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(OC)cc4c3-c3ccccc3)cc2OC)c1	409397058	FSPTUTOHZUNCTL-UHFFFAOYSA-N	549.583	5.844	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Br)cc4c3-c3ccccc3Cl)cc2OC)c1	409397247	HWHCVTJRKLVRGB-UHFFFAOYSA-N	667.343	7.905	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397996	PZTILWSGIWYSMS-UHFFFAOYSA-N	620.920	8.485	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1ccccc1F	409405902	VFYPXZCVPLJLGC-PQKVGRGHSA-N	621.709	7.875	50	40	KKGB	
O=C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	885164235	XKMWMIOVLDPCML-UHFFFAOYSA-N	738.153	8.314	50	40	KKGB	
N#C/C(=C\Nc1ccc2c(c1)OCCO2)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	1261657	UIYFKCXKZUODFD-SDNWHVSQSA-N	508.353	5.427	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1c(O)ccc2ccccc12	2709769	UFKXTAZIIHTIIE-WKULSOCRSA-N	559.449	5.193	50	40	KKGB	
O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	3196133	OYZASWYTFMGOBJ-UHFFFAOYSA-N	550.489	5.390	50	40	KKGB	
C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	4155621	XTUGZJAXBDPEDR-BVMLUPFRSA-N	553.273	7.252	50	40	KKGB	
Cc1cc(C)cc(C(=O)N(NC(=O)N[C@H](c2cccc([N+](=O)[O-])c2)P(=O)(Oc2ccccc2)Oc2ccccc2)C(C)(C)C)c1	8453181	WOPIKGAJJWFHJE-PMERELPUSA-N	630.638	7.716	50	40	KKGB	
COc1cc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)ccc1OCc1ccccc1	12251034	YOQVFWANLXUBRR-QHCPKHFHSA-N	518.038	6.147	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1Cl	59336564	PHXUCMRNRHGAJP-ATVHPVEESA-N	502.195	6.881	50	40	KKGB	
Br[C@H](/C=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@H](Br)c1ccccc1	59365157	JRXLDARVHCBKOA-YOGNZGIYSA-N	537.259	6.503	50	40	KKGB	
Cc1cccn2c(/C=C(\C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)c(-c3ccccc3)nc12	97946799	OEEQTSYEHJOHCO-UCPLLFFYSA-N	565.699	5.705	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)cc(Br)c1OC(=O)c1ccc(C)cc1	97961984	RPGKFOOPRXOSIO-MUXKCCDJSA-N	525.399	5.131	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1	100232874	STDWDOWOPSJQOU-NDENLUEZSA-N	525.830	6.934	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1Cl	102528362	KTZVUKSACJJBFB-XMMPIXPASA-N	526.489	7.579	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	103890939	VXBPUENHMATWGW-NDENLUEZSA-N	576.307	8.552	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl	150363882	QWCIZEZRKXKEQW-MHDJOFBISA-N	722.401	6.597	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1C	150625478	GJPJYIKUNNAEAV-XODNFHPESA-N	703.156	6.547	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Br)cc1	408533563	SYNSHSIUPWEJEP-WQRHYEAKSA-N	503.621	7.508	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	408538431	MTPUVBADZZQNND-OJYCWLPVSA-N	609.623	9.672	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OC)ccc1OCc1ccccc1	408541271	YSPAKLVHRKKTKN-CVKSISIWSA-N	569.057	7.369	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408541688	HGYDYBMTAWUHBB-ZDLGFXPLSA-N	556.210	6.034	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3C)o2)c(C(=O)OCC)c1C	408546287	FYVFNMSMUPQMQH-GZTJUZNOSA-N	526.010	6.351	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408551852	GOIWWPVOOZPVNX-YBEGLDIGSA-N	575.246	6.328	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccccc1	408567952	HBXIYYOCEWGESK-RWPZCVJISA-N	573.534	6.044	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc(Cl)c(Cl)c1	408586661	OOIFJDRJGRGSFC-APSNUPSMSA-N	666.511	8.499	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc2ccccc2c1	408598981	MSUOGRCEARAJII-JFLMPSFJSA-N	504.340	5.853	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Br)cc1	408612132	XQCUDQJNAVUFQQ-KRWDZBQOSA-N	544.833	5.186	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1ccc(Br)cc1	408710803	LOPCIZZDQALSQT-XODNFHPESA-N	641.154	6.724	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2N)cc(Br)c1OCc1ccc(Cl)cc1Cl	408718775	HTRQPXGGDZQSHD-NVJOKUIPSA-N	537.241	6.080	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)c1	408746985	XPFVSFHBNVWNTP-MTJSOVHGSA-N	521.411	6.290	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1OCc1cccc2ccccc12	408754174	MHANULDVIPTSNL-UCQKPKSFSA-N	555.428	6.938	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408757978	FEZKIVSYMKBISQ-MWBNBJEGSA-N	572.543	7.731	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)C(=O)Nc1ccc(Cl)cc1	408758690	PFUWKEXQEJJWHZ-LGMDPLHJSA-N	557.775	5.508	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408762425	BDGAFAQBPGEVNX-XZYGTATASA-N	587.558	7.368	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408792198	JKZOYOTXQJOFQD-BUVRLJJBSA-N	661.452	6.912	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccccc1F	408792328	ASJAIXQLHGNFIF-UDWIEESQSA-N	553.384	5.898	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccccc1F	408808886	GXRXFCRGCPNXPR-XKZIYDEJSA-N	501.355	6.866	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OC(C)C	408821511	IKWREDIFRAQUKW-FYJGNVAPSA-N	616.883	7.255	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)c(OC)cc1Cl	408825111	JGOSFSVWJBQPNM-DJKKODMXSA-N	527.404	6.452	50	40	KKGB	
CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408836396	QUNQLOQKNQLIEH-YBFXNURJSA-N	515.824	7.559	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408839317	QNZWQXWPFNELOK-AIMOZCANSA-N	768.056	9.619	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1	408842073	IIQYRACLSPXEOD-FLWUYHLRSA-N	669.115	7.497	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(I)cc1	408844880	FNKICEGKGRCCRZ-IPHFVPNQSA-N	641.509	7.409	50	40	KKGB	
O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408848621	RXWJFOQQZTUDGW-ZNLRHDTNSA-N	569.091	7.336	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Cl)cc5Cl)c(Cl)c4)cc3)cs2)cc1	408848976	XNMTXYYGMDWBKX-QNVXDBMFSA-N	621.977	9.165	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408857529	KIGURJKXMZUEDF-KULFSUQXSA-N	710.956	7.055	50	40	KKGB	
Cc1c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408858185	QJPDLWYACVHOBZ-MUXKCCDJSA-N	531.366	6.179	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)n1-c1ccc(F)cc1	408862807	JJDAOQTUTZFSQZ-IPBVOBEMSA-N	548.427	5.744	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3Br)c(OCC)c2)cc1	408868836	NMXSWQMOMOEFSI-DEDYPNTBSA-N	584.308	7.145	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)N[C@@H](C)c3ccccc3)o2)cc1	408869314	QUSOPMIUGPIMON-LIZYOPNSSA-N	627.550	5.613	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)c(OC)c1	408869405	CYPSPDPJDXZASD-KEBDBYFISA-N	582.407	5.185	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1Cc1ccccc1Br	408872669	NVELDRAJTMVNLJ-LICLKQGHSA-N	560.673	7.010	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(Cc2ccccc2Cl)c(OC)c1	408874104	YREIEEQNOVBRRO-UDWIEESQSA-N	556.831	6.652	50	40	KKGB	
Cc1c(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc2n1Cc1ccc(F)cc1	408877241	TVMQMPAWEWWJQW-JJKQSNDFSA-N	598.487	6.648	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1	408877339	UZDPUIBIUUTNRM-UDWIEESQSA-N	525.830	6.798	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OCc1cccc2ccccc12	408883986	SKHKVHVNFIQNFN-HZHRSRAPSA-N	523.545	6.280	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1OCC	408884040	SIPOZIUMGLVQIU-UXHLAJHPSA-N	618.550	5.299	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408884984	ZNXQNHFRHKUVIM-KBKYJPHKSA-N	598.193	6.527	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408891029	KCYLHJXQDGAUHP-RQZCQDPDSA-N	587.224	6.253	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2OC)cc1	408891797	VNMPSADRXRDHRQ-WOJGMQOQSA-N	511.361	6.084	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(Br)c1	408899997	SESMISIMZJVLBF-WOJGMQOQSA-N	560.673	7.298	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c(C)c1	408911669	NNBVPYDGKSQLLJ-ZCTHSVRISA-N	511.578	6.117	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)c1C	408925215	NQJCMXWCOGDLLJ-OKCVXOCRSA-N	556.471	6.216	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc(Br)cc1	408942100	FPBNLDDDHDPWPI-MHZLTWQESA-N	889.348	6.122	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1cccc2ccccc12	408954585	RTNLIQZNDRKMCF-QQXSKIMKSA-N	594.509	7.327	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c(OC)c1	408954896	NPXXPUIVEZKAKS-XGBIICRQSA-N	701.574	5.910	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl	408972600	PMWDJWZBSNKHCE-CCVNUDIWSA-N	540.432	5.369	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c2ccccc12	408976609	BDTLXJCQFYDKQR-QNBFMKIVSA-N	515.635	5.107	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408992906	UDFGMLUXGTVXOV-OWFJCFNKSA-N	658.161	7.543	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	409003498	SIRUEACGGKZYQC-VBMPCKAESA-N	583.472	5.870	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007672	QFUWAFRTRGUNCB-KMUKQRDJSA-N	552.675	5.527	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc(OC)c1OC	409011923	PDZPPPBEMUPQAS-SEPGSOFMSA-N	713.743	6.496	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)ccc1OCC(=O)Nc1ccccc1OC	409020354	OKJPEXSSODZYTI-UHIZKJEFSA-N	686.357	5.714	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	409027893	IHMJJBPLFSOHAI-JEPNHJGPSA-N	620.171	6.589	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409047293	TYSWERXZYPSROM-CLHYIUPASA-N	759.385	8.607	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OCc1cccc2ccccc12	409049302	QFCVFUFPWBJQBB-WKULSOCRSA-N	564.392	5.958	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1ccc(Cl)c(Cl)c1	409123759	INYZZSLKOLLGAW-MHDJOFBISA-N	631.513	5.657	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C2=C1CC(C)(C)CC2=O	409136016	XLNHUYWSQBLGAQ-RUZDIDTESA-N	605.360	6.718	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)C2=C1CC(C)(C)CC2=O	409145606	RAWDUVPFFDMJGR-GDLZYMKVSA-N	663.556	6.415	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl	409145819	QCVKFEHABHTARO-CCVNUDIWSA-N	583.253	6.269	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)C2=C1CCCC2=O	409147899	WWYYCHYGWGKHGI-NRFANRHFSA-N	671.704	5.858	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409179729	SBMBKETTYXXLNC-KKMKTNMSSA-N	554.215	5.739	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccccc1-n1cccc1	409190664	UUWLLBUXMXYBIW-LQKURTRISA-N	553.254	6.345	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccc(Cl)cc1	409194179	NWMQFSJNJMUEKW-WYMPLXKRSA-N	535.725	5.196	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(Cl)cc5)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1	409222497	DFMLKUXZIJHRDV-WKGLYUOSSA-N	605.050	5.452	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)cc1	409226741	SHDMTKNJPVPTQR-LICLKQGHSA-N	585.252	5.789	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccccc1	409229298	MVSVQRDCAKIPTK-JLPGSUDCSA-N	519.439	6.083	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccccc1	409233554	SVPYTCMMVCLGHM-IWEBCOIVSA-N	713.151	7.022	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cccc(OCC(=O)Nc5ccccc5)c4)cc3)cs2)cc1	409257581	UBCAMXBXVAUAOI-APTWKGOFSA-N	561.667	6.644	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409266260	PPPXVCPOXKUWBG-WKIKZPBSSA-N	530.806	5.201	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409315555	JDGYFYGWGOTWOU-RTBURBONSA-N	525.841	5.717	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(Sc3nc(-c4ccccc4)cc(-c4ccccc4)n3)c([N+](=O)[O-])c2)c1	409373448	SZXGWONEXOSCPW-UCMJSZAQSA-N	591.649	6.651	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(F)cc1	409384490	COFFESFKNRJXRW-KKMKTNMSSA-N	605.385	5.905	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)cc1	409395510	ONIIFLHGMZBJCC-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)c1	409396615	ZJMKBRLIBLOTIP-UHFFFAOYSA-N	596.481	7.206	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409396901	CRMLGEMEUPNDDD-UHFFFAOYSA-N	612.082	7.196	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(Br)c4c3-c3ccccc3)cc2OC)cc1OCC	409397351	IYGRCKGCPAVDRH-UHFFFAOYSA-N	686.559	7.395	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397355	IYWQVIXJQOUEIG-UHFFFAOYSA-N	677.926	7.783	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397778	NYVOHXIRQPURIA-UHFFFAOYSA-N	531.612	6.752	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409398571	URHUVLDVHAISAD-UHFFFAOYSA-N	606.893	8.095	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1cccc(F)c1	409400011	AWUHAJCMWFWWPM-PQKVGRGHSA-N	621.709	7.875	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)o2)cc1	409401086	GJIPNWGBMGJBOG-QMRORBIVSA-N	661.484	7.419	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	1529544216	AKAIBHNRPPRKQS-STNFJLQYSA-N	587.485	5.138	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	1529546529	FZIXIUNVTQBFMU-AJXABOPQSA-N	808.449	5.426	50	40	KKGB	
COC(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)SSC(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)OC)C(F)(F)F)C(F)(F)F)C(F)(F)F	1565683396	PTMKQOJPJXPNJN-ULAWRXDQSA-N	946.316	9.249	50	40	KKGB	
N#C/C(=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1	1279249	XSBQDZJOCRQRCQ-CPNJWEJPSA-N	587.249	5.350	50	40	KKGB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21C(C#N)=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C1C(=O)CC(C)(C)C2	1421939	WVBQVAAGSQJLQL-SANMLTNESA-N	526.946	5.714	50	40	KKGB	
C[C@H](Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1	1785403	USALVVBJNPXVBM-CQFRCADLSA-N	559.475	5.203	50	40	KKGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1cccs1	3184841	VUPJJBFGBDFOGQ-BZCOGROQSA-N	516.626	6.027	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)c(O)c1	3238629	XIZIKFJWQIRIOY-FDAWAROLSA-N	528.609	5.243	50	40	KKGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	28213703	QGQSVJCWBPFKEM-UVHMKAGCSA-N	502.423	5.394	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1	59883711	XMPHQTWJGWUUBN-IURWMYGYSA-N	563.907	5.723	50	40	KKGB	
CCOC(=O)CCC(=O)[C@@H](Br)[C@@H](Br)[C@H](Br)[C@H](Br)c1ccccc1	68564023	MEGLECGKMOXAKM-KLHDSHLOSA-N	577.933	5.326	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	100033593	GGVAJLDIZKITQV-XMPOVOTPSA-N	551.603	5.622	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2C)c1	100100442	SXHUMVRFKDUFNK-LUOAPIJWSA-N	523.258	6.309	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1	100118361	YKMSTJXBBQUGAX-SEBMTOOBSA-N	625.194	7.524	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1OC	100304774	CWGNITFDWLGNQH-UCMJSZAQSA-N	609.148	5.148	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(Cl)c(Cl)c1	100396976	GMSKBEQWZXIWGS-ALQBTCKLSA-N	544.869	8.535	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(SC(F)F)cc2)s1)C(=O)Nc1nc(-c2cccc(Cl)c2)cs1	100925608	MUFDMBKBTKUNGF-LFIBNONCSA-N	530.046	8.052	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCc3ccccc3C1)[C@H]2Br	102725583	DILNGCNUERXJDL-JVPBZIDWSA-N	520.103	5.257	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(Cl)c3C)=C(C#N)[C@@H]2c2ccco2)cc1	102808142	WIUSZGLPYRKQHB-HHHXNRCGSA-N	563.079	6.347	50	40	KKGB	
CN1/C(=C/P(=Nc2ccc(Br)cc2)(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21	102944911	NOHJXMQBBNTFIE-QUPMIFSKSA-N	527.446	8.202	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	103883784	OJRNESMPOBKYBV-HFTWOUSFSA-N	534.635	6.068	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/CCC/N=C/c1ccc(N(CCCl)CCCl)cc1C	104057278	JKVLHFIOZSGDCC-YMQWWVFYSA-N	558.425	6.800	50	40	KKGB	
C[C@@]12CC[C@H]3[C@H](CC[C@@]4(C)NC(=O)CC[C@@H]34)[C@]1(C)CC[C@H](OC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C2	104187481	NVRRKGOJPMOAEG-VMIUUUFISA-N	577.637	6.726	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	104403002	FZPTWOHIPXMIOU-IPPBACCNSA-N	613.279	6.738	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)cc2)cc1	138528686	PHUPZSWUMLMVTB-UHFFFAOYSA-N	610.505	5.652	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1	150367571	AAMTWAXMPMLZCD-WWXMDWTASA-N	688.804	7.027	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	150452972	CZLOBWOMVOEKRQ-QXUDOOCXSA-N	675.609	5.000	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1	150489248	CYPLRSJKJZRMFW-DANHRZQXSA-N	631.535	8.261	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	150490583	TYXNOZFINGMBBE-KCSSXMTESA-N	652.571	5.169	50	40	KKGB	
CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408538713	POYWZPQCDGETGC-MZFJOGFUSA-N	547.124	8.239	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408541101	DSZLPIOCTRDSJK-JLPGSUDCSA-N	574.475	6.208	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408544799	XNICIYKRXHNCIO-JAIQZWGSSA-N	578.419	5.418	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551903	GWGQGZHMAJZCDZ-NVMNQCDNSA-N	603.300	6.945	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408552497	QDEHREAOFUHMFR-JAVCYFNSSA-N	808.767	9.820	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	408555265	WQQSUYCQZWHUKB-RODHXAHZSA-N	701.401	7.524	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408583849	XPHYBTWSDRERGI-OEAKJJBVSA-N	500.392	7.263	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccccc1Cl	408607185	CLABGVWHGXBSOY-IBBHUPRXSA-N	528.436	5.471	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408639559	FYJVLEJSESFHBC-BDXSIMOUSA-N	662.118	5.064	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)cc1	408652438	ONCWNXORRDQKIX-IKIOOZCCSA-N	799.321	6.088	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408678385	YAEMSHFRKFNCNZ-STBIYBPSSA-N	567.440	5.699	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1cccc(Br)c1	408719693	PECFRVRLMQHWCA-WUFVBDPGSA-N	576.450	5.416	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408725552	LQWFQUSQVVRLMT-ZTCVVROCSA-N	554.710	6.720	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2c(O)ccc4ccccc24)cc1)CCCC3	408732609	SLSIYTYSSSCRRM-OKCVXOCRSA-N	508.603	5.257	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1ccccc1	408735174	LBAMQZPYPDXWCQ-VTNSRFBWSA-N	617.443	5.497	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408740605	HINSUAKVSZRKEC-SEBMTOOBSA-N	576.483	9.142	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)c2C)sc2c1CCCC2	408741869	LSBUDNMREYXKQN-XMHGGMMESA-N	552.494	6.519	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(I)cc1	408746534	ZVCSSLDXOCPKHC-STZFKDTASA-N	538.385	6.123	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747196	KIYAJIMLBKXVNG-PXNMLYILSA-N	636.094	7.007	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408748913	IYUAREALNOXGOY-LGJNPRDNSA-N	606.545	5.386	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cccc2ccccc12	408753184	IMIUQDCLFMOUIN-IBBHUPRXSA-N	619.286	7.493	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OC	408760712	DQVYOEVEGFCFTA-SDQBBNPISA-N	517.150	5.551	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I	408793326	DPKFURCTMSZXLX-CXUHLZMHSA-N	582.179	5.070	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1cccc2ccccc12	408796686	OTMSVRXPDUVUEA-MFKUBSTISA-N	555.472	7.743	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1C	408810116	OXWWXZGIDJFAIL-CIAFOILYSA-N	509.831	7.152	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408812724	MHSVPOYRQJUZEX-RGVLZGJSSA-N	507.384	5.905	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408813203	QCTBOYRPTNUHTE-NDENLUEZSA-N	511.380	6.994	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)c(C)c1	408819482	YYGHYVVAWASGSC-SRZZPIQSSA-N	597.409	6.340	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	408830854	TUBVNYZYJRBKAU-VBAOPZSKSA-N	639.561	5.595	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCC	408831708	HFESDUMUOJTWBT-DEDYPNTBSA-N	511.405	6.915	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(C)cc2C)cc1	408832616	YAHGELCVRYLTRB-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	408838128	CGCRYCXMLJQGTC-DPNNOFEESA-N	588.016	5.601	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)O	408839858	WUBKDJONOJJILM-XODNFHPESA-N	536.997	5.443	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1cccc(C)c1	408841771	LDZLXSQNTRFYFU-PUHLOBNQSA-N	647.517	7.647	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408846050	QLSOHAXSEOAAIM-FJEPWZHXSA-N	624.358	7.163	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2ccccc2o1	408846350	IUIUJQCRJCOVLG-PPDIBHTLSA-N	609.645	6.796	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408852283	ROXIMWLEQMIOLU-PQKVGRGHSA-N	624.568	8.840	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408862854	MVURCOVGOHMBBN-QNVXDBMFSA-N	770.327	7.760	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	408874433	BJCQJUIPJPJBFS-FNTLCPBMSA-N	667.187	6.825	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1cccc(Cl)c1	408876182	JSZVALVGKXNBGN-CIAFOILYSA-N	539.857	7.188	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OC	408885572	CCKRRQLRNVHFFJ-NTUHNPAUSA-N	573.079	6.236	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408889656	INQHIPJURKGACL-NTEUORMPSA-N	674.256	5.828	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccc(Br)cc2)c1	408890168	PAHYORTXZPQEIC-WOJGMQOQSA-N	538.354	5.499	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408895948	ONIIMDPDMFBKJZ-WOJGMQOQSA-N	663.446	5.229	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1	408896813	TVKIVVFQZZDYHF-LTGZKZEYSA-N	517.006	6.423	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccccc1F	408904828	PEFCIYSMDMZHKC-QDTIIGTASA-N	511.893	5.875	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C)c(OCC)c2)cc1	408923557	JMTQKFLMNSXGGP-OEAKJJBVSA-N	518.997	6.349	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3)c2C)c(Br)c1	408926236	WJHXSWOYZNCCTR-LDADJPATSA-N	513.233	6.473	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(F)c1	408965498	HTVSPVSVFACGAH-IPBVOBEMSA-N	521.173	6.110	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)Oc1ccccc1/C=N\NC(=O)c1ccccc1O	409006129	MKPNLCSFNIJIHJ-AFOUJMMISA-N	575.404	6.301	50	40	KKGB	
COc1cc(Cl)c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409012668	KZWDRILSUKEHSX-GZIVZEMBSA-N	563.573	5.234	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12	409019933	YFCIDGQFNWJZDB-GNKJFLBKSA-N	590.699	6.011	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409030390	DDBKRSPDEOIIJK-CLHYIUPASA-N	712.385	8.765	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccccc1Cl	409043437	MGJUDDGAMVHRHN-MWBNBJEGSA-N	662.009	8.711	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409081954	LKXTVMUKOWASCH-VCHYOVAHSA-N	522.901	5.571	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)c2cccc(Cl)c2)cc1	409116425	PIBRUWQGIBZOQB-ZTKZIYFRSA-N	528.074	5.404	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)Cc2ccc(Cl)c(Cl)c2)cc1	409122181	YGVFKTUUCNMCMV-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1cccc(Cl)c1	409130193	LZPLLWQCMRTMLR-QFIPXVFZSA-N	576.818	5.737	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409168547	MJYVOEZEGVVXHN-KBVAKVRCSA-N	595.494	5.351	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409171523	CXPQMBCACGEIAT-VFLNYLIXSA-N	592.277	5.425	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1	409185659	OGJLMPCARZDFED-FMFFXOCNSA-N	616.765	5.388	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1	409188080	WUKNBYQLEJOWAG-IPPBACCNSA-N	569.253	5.868	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OCC	409219338	LJFNHBMZTPEOMP-MNBJERMJSA-N	586.557	5.221	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	409222307	BRRBLABWFJMGKK-LFIBNONCSA-N	545.220	6.319	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1	409222628	CRPNATJOPAEDQG-FLGAQOMVSA-N	514.321	5.293	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1cccc(C)c1	409224739	MFACENYAHBOHBW-UHFFFAOYSA-N	556.018	6.283	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)c1ccc(Br)cc1	409225762	OPUNBCUOKYECII-UHFFFAOYSA-N	576.403	5.676	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	409227273	YUFGZYKYVOMZGX-LFIBNONCSA-N	500.769	6.210	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409227465	YSOIIKIQXHFASY-RKGALKQQSA-N	771.216	7.517	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)n1	409229827	ABTWQBQUVDQDOM-FJEPWZHXSA-N	534.085	5.976	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccccc1	409240246	RZRPYLQGHMPSKM-VBNMEBLOSA-N	530.249	7.119	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccccc1	409258603	YGCPNICHMSVXSL-ZRGSRPPYSA-N	565.649	5.646	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409259143	XTNQFDGMDRXJSH-PPDIBHTLSA-N	551.224	5.546	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)ccc1OCc1ccccc1	409263778	BZFDDEAXLPKDKJ-APTWKGOFSA-N	558.034	6.099	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccccc1Cl	409270034	NWGMQZYFNVOXDP-RAWMCFOBSA-N	521.744	5.336	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	409273487	YLNKOGSXPASSLW-LICLKQGHSA-N	587.243	6.222	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409309317	FKNBXWHPYGSPLH-HMAPJEAMSA-N	529.390	7.552	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)cc1OC	409310414	ACAOOEGODNTCDW-FDVSRXAVSA-N	588.296	6.436	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OCC	409322418	WXEGCJRBKGODOU-MWLSYYOVSA-N	670.909	5.448	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1OCC	409322765	KXVDPQXRGGWLOC-DICXZTSXSA-N	626.323	5.541	50	40	KKGB	
COc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc12	409371794	ONGBLADOUPBTBJ-WSDLNYQXSA-N	515.363	7.162	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1Cl	409372110	OSUURZGZQXFYNL-ODLFYWEKSA-N	550.223	7.640	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1	409372160	LRVIOWSPDJYIBH-WKIKZPBSSA-N	585.307	5.106	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)c1cccc([N+](=O)[O-])c1	409372435	XPTPHYRARDTRFH-UWVJOHFNSA-N	633.183	6.319	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C)cccc2c1-c1ccccc1	409394975	IHSXMPHXBBXTLJ-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395240	LKCPUXHSPZIADC-UHFFFAOYSA-N	596.392	8.144	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)[nH]c12	409395529	OTRMHXWDXNQNAB-UHFFFAOYSA-N	805.115	8.877	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)[nH]c12	409397651	MIFWVFMUJSZGIS-UHFFFAOYSA-N	562.582	6.297	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccco1	409398486	TZQNZTPUQKAMMN-UHFFFAOYSA-N	518.356	6.718	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409399084	XRZMDXKTDJDLNW-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
C=CCOc1c(CC=C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409400235	CEIZRIICRXQTFF-UCMJSZAQSA-N	539.632	6.332	50	40	KKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409404726	QTIGXBRRROKQGN-XVIDZLOXSA-N	554.474	7.514	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccco3)o2)cc1	409409464	PESJRCBLEPRDPW-KYHGBAKBSA-N	557.990	6.496	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccccc1	1531386449	ZFSLJPMGSYSNCY-JEPNHJGPSA-N	592.652	6.056	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccco1	1067741	QGOUZNDQMXZMJM-VWLOTQADSA-N	535.025	5.648	50	40	KKGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1ccccc1C(F)(F)F	2119061	VSPKWUILAKQXGM-JOCHJYFZSA-N	540.567	5.268	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccc(OCc2ccccc2)cc1	2604107	XBBBQHWRWUFWAN-HNSNBQBZSA-N	580.735	6.147	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1)c1ccc(Br)cc1	3239356	GEMQOGYQHKEFCP-CCVNUDIWSA-N	511.326	5.667	50	40	KKGB	
CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	3301281	VDIFOHDYTJHTPS-HHHXNRCGSA-N	595.021	6.570	50	40	KKGB	
O=C(CCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1)N/N=C/c1cccc(OCc2ccccc2)c1	4113776	QGYKKJWSFDOLMH-WXGDAXOSSA-N	534.616	5.225	50	40	KKGB	
O=C(NN(Cn1c(=S)sc2ccccc21)Cn1c(=S)sc2ccccc21)c1ccccc1O	5486486	QSOQOXRSMCEVOW-UHFFFAOYSA-N	510.691	6.146	50	40	KKGB	
CC[n+]1c(/C=C\c2ccc(N(CCCl)CCCl)cc2)ccc2cc(I)ccc21	5732314	XWNWMFHNJWLPNE-UHFFFAOYSA-N	526.269	6.206	50	40	KKGB	
O=C(NN=C1c2ccccc2-c2ccccc21)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1	8427061	WRLZGEPBTVKRKO-UHFFFAOYSA-N	616.717	8.586	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(Cl)cc1	8812597	FDFFKEUTYDKJHR-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
CCOc1ccc(NCc2nnc(S[C@@H](C)C(=O)NN=C3CCCC[C@@H]3C)n2-c2ccccc2)cc1	13882016	ULZCYFSRIHRZKQ-PMACEKPBSA-N	506.676	5.441	50	40	KKGB	
O=C(CSc1oc(-c2ccc(Cl)cc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	49917921	BILWZAYHBJXXJG-UHFFFAOYSA-N	591.092	7.589	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc(Br)c1OCc1ccccc1Cl	59646920	KEIUBARTAOBPIR-MHDJOFBISA-N	607.957	7.643	50	40	KKGB	
O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(SSc2ccc(NC(=S)NC(=O)/C=C/c3ccco3)cc2)cc1	97962694	LHMWVIRWEARZFE-KAVGSWPWSA-N	606.776	6.725	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccccc1Cl	100036103	DUSPCWKGODNFDX-DPNNOFEESA-N	551.083	6.811	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100124097	IADYXBQUJRZVRA-FABQOPTDSA-N	582.648	6.075	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100127572	PHGKAMSKSVZCGN-OCSSWDANSA-N	539.032	5.232	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc3cccnc23)NC(=N)[C@H](c2nc(-c3ccccc3)cs2)C12CCCCC2	100688329	HMBFNHHXXZETDP-AREMUKBSSA-N	564.740	7.080	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1	101178645	YLKGKXLIGGAWEI-YMGIJWJESA-N	552.881	5.845	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc(Br)c1O	101404599	DINSQSQMALFXID-UVHMKAGCSA-N	578.920	5.823	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1	102610265	QPSOPMFQNJCFJE-DEOSSOPVSA-N	508.043	6.626	50	40	KKGB	
Cc1ccc(-c2nc(CN(Cc3noc(-c4ccc(C)cc4)n3)C[C@@H](CCl)n3nc(C)cc3C)no2)cc1	102754161	OWDPKEYFALNSSH-XMMPIXPASA-N	532.048	5.699	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1cccc(F)c1	103754366	GPTKIBSYUHTAPC-FMFFXOCNSA-N	547.615	6.659	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(I)cc1	103884360	GVMSXHCIUMKAGM-QOMWVZHYSA-N	589.477	5.854	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br	103889029	CHXACPICLJDCBL-KPKJPENVSA-N	531.031	6.629	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	103896323	MCIAWKOLANSWPX-RUMWWMSVSA-N	557.672	5.318	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C(F)(F)F)C3=C(O)CCCC3=N2)cc1C	104101202	KAWHKGLFVPLQHT-DEOSSOPVSA-N	511.569	6.964	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](OC(=O)CI)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C	118936173	MZAQLTZIAVJPPY-VGAXZYKLSA-N	554.597	8.064	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	150370577	VFODZMUEHJHHRN-BQIMNVTISA-N	687.911	6.739	50	40	KKGB	
Cc1c(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3sc4ccccc4c3Cl)cc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C	150451175	HGTVELJWKCNHSL-UHFFFAOYSA-N	664.980	5.535	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1	150481250	UBOLVGJKKJNHGH-AUGOTPMTSA-N	684.840	5.363	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164738576	IYRDFQWFKGWWLJ-NVNXTCNLSA-N	693.081	7.466	50	40	KKGB	
CCO[Si](CCCSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC	169747129	VTHOKNTVYKTUPI-UHFFFAOYSA-N	538.968	6.541	50	40	KKGB	
CCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1	408527857	CUCQFBKQNGYUNQ-QRQIAZFYSA-N	511.416	5.980	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)ccc1OCc1ccccc1	408538643	AYIBRMFUJWRAII-FZSDHLTPSA-N	646.740	7.603	50	40	KKGB	
COc1cc(COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OCc1ccccc1	408540834	WHWJENFMXDDEQX-YKQZZPSBSA-N	511.534	5.525	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1OCc1ccc(Br)cc1	408540847	CCVOLGGFNXAVOY-IWIPYMOSSA-N	518.407	6.918	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551650	DYKHUOCXSQVHOS-PPDIBHTLSA-N	551.224	5.546	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408552851	KWFKQINGJBAGEX-UDWIEESQSA-N	619.541	6.531	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1O[C@@H](C)CC	408570957	ZVAFUMGLJIJDES-HEOQCTJZSA-N	553.544	6.033	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408642774	NVDQBUDEYWGOKY-ZRZRPREKSA-N	631.148	5.544	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1ccc(Cl)cc1Cl	408682150	JZPDZEYZILJOII-AHKZPQOWSA-N	597.292	7.790	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	408726108	PGAGLDWGWPPOQN-MOSHPQCFSA-N	600.307	7.134	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408726464	RTNSWARPDATKFL-YVLHZVERSA-N	542.773	6.144	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408726999	XNQUVHWIGSAHPR-OCKHKDLRSA-N	607.275	7.348	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccccc1	408741446	IYNIHBIIIUGIQA-XKZIYDEJSA-N	609.261	7.332	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)NCc1ccccc1	408747398	NHCDUCHQXXASML-GRSHGNNSSA-N	654.673	6.352	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747913	VRFGPBQHAVBTAU-MTJSOVHGSA-N	735.157	7.936	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C	408779740	JKGJOTPLGDNAFF-BKUYFWCQSA-N	571.977	7.210	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(I)cc1	408788160	BNJUKNNYMCVWSB-RQZCQDPDSA-N	634.224	6.095	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1	408791646	AEXOWHKSFBXGIJ-HZHRSRAPSA-N	513.391	6.736	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccccc1F	408792396	BAIFYNBJXOKOQF-WOJGMQOQSA-N	558.347	5.659	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(I)c2)c1	408795458	MLCBAADOXUYXFO-FYJGNVAPSA-N	508.359	6.033	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(C)cc1	408797890	UGIINQICYPXKNW-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OC(C)C	408801769	BMUQGFJNNYKYHH-VCHYOVAHSA-N	504.368	5.640	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Br)c2)cc1	408810753	KLMTWTZVJVVSSB-XQNSMLJCSA-N	541.445	7.434	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1C	408817338	XNHOJKQJWAKRPY-RGVLZGJSSA-N	540.255	6.953	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccc(C)cc1	408833314	XRLQTABYOGOGHQ-BIZUNTBRSA-N	546.668	5.450	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2)c1	408833353	JLKIBWNDLMWVIJ-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Br)cc1	408854042	WDWLZJVXUDFERL-PPDIBHTLSA-N	527.758	5.890	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccccc2)cc1	408860390	ZVHXMZLSBSRKQE-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccccc1	408865780	FOCUNPDOCFJBGU-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccc(Br)cc1	408883569	UYGKTBVRGNDUHT-SRZZPIQSSA-N	585.882	6.321	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1	408886838	MNXWQXSGIJRYNQ-CXUHLZMHSA-N	512.305	5.675	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccccc1C	408888995	AIRUSWNYTQTXDW-OEAKJJBVSA-N	527.418	7.044	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1O[C@H](C)CC	408910019	VRPWFMUPMFFNGE-KPQXCZDLSA-N	527.257	6.252	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922733	GFNAOOZSUFZEPA-KGENOOAVSA-N	576.030	5.774	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccccc1C	408924871	PDTCJTMTTNTBBC-OCSSWDANSA-N	564.423	6.494	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1cccc(C)c1	408926058	WWTDSYCQEGRXLE-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cc2)cc1	408926518	YHYOTJYMHUALHK-GUBAARJWSA-N	578.628	6.956	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408968154	ZROKOYPKRUKFEE-ORBVJSQLSA-N	597.636	7.407	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408971412	OACADDNHOGITHM-VBMPCKAESA-N	635.386	6.703	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(I)c1OCc1cccc2ccccc12	408978390	ZFDVOTTVVJWUTN-FJEPWZHXSA-N	594.405	5.915	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Br)cc1	408983676	NJKQQWGQIIEDDH-YBFXNURJSA-N	560.275	7.588	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408985427	LYQHWCHUYQOAHR-RUMWWMSVSA-N	542.705	5.095	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl	409006861	RHNRXHKPINEUSC-IPBVOBEMSA-N	579.720	6.295	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12	409012494	IKHNDUSNPORRCM-ZMEJIWCMSA-N	530.452	5.604	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(Cl)c(Cl)c1	409013376	UTMAEJHCFIYWKV-NCAUGAEKSA-N	631.095	7.278	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	409015125	NWDKPIWRADWFDR-PMENUWMLSA-N	614.570	6.728	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCc1ccccc1F	409021448	IHINILQPZAXNKV-OHUYPAJKSA-N	513.569	5.609	50	40	KKGB	
COc1ccc(-c2cc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)cc4)c4c(C)cccc34)c3ccccc3n2)cc1	409032709	MSFNGNVZYZXUFK-CLHYIUPASA-N	573.096	7.948	50	40	KKGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br	409039448	WPKKFRBOEKTNAH-LQKURTRISA-N	531.435	6.092	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OC(C)=O	409042863	DDJWMKYAGOAUME-RWPZCVJISA-N	518.367	5.362	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	409051305	BUCULFZFDKMFMT-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cc(Br)ccc1O	409085891	OXGDNBWZUSJAKT-VFLNYLIXSA-N	727.134	6.860	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409091557	RIYLFQGVRNMORV-CXUHLZMHSA-N	543.273	5.973	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)S(C)(=O)=O	409146095	JFRPZMYLOTZPQC-ZCTHSVRISA-N	572.643	5.212	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1Cl	409168148	KROPNCFSYZLFKE-ZHSUKTGHSA-N	697.357	5.514	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)CCc3ccccc3)c3ccccc32)cc1Cl	409218719	GOFFTKWMHQOTLO-KIEQDVCZSA-N	574.080	5.934	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4cc(Cl)ccc4C)C(=O)[C@H]23)c1	409219383	MGXAQZATZCWPCD-NQCQHTAVSA-N	576.052	5.624	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2cccc(C(F)(F)F)c2)cc1	409220392	YNCBGEQCNHXUHC-BVMLUPFRSA-N	556.497	5.581	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccccc3Cl)cc2)cc(OC)c1OC	409223983	JPPSLRSBIJVVDP-FZPRHHONSA-N	633.013	5.509	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409233690	WBLIOQVPSCNJHN-OBLBUWMUSA-N	560.275	7.128	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)NCCCc1ccccc1	409236448	GKIOBNQMRJFFAJ-IWIPYMOSSA-N	500.396	5.556	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)c1ccccc1	409239182	OTCCALDZXRTMJR-FIJRTHIRSA-N	520.814	6.338	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)NCCCc1ccccc1	409246871	KKANXHIRLCNDFB-BKUYFWCQSA-N	682.727	6.784	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409304457	QXEJGXBLSQJIMV-CNCDYAKUSA-N	640.409	7.128	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OCC	409310808	WOQRNTNZRLJBQN-CAQPMQTCSA-N	568.070	6.016	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)ccc1OCc1ccccc1	409312132	DBDZRAOWLLUYBM-VHFSBPNMSA-N	719.403	8.317	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)ccc1OCc1ccccc1	409312200	KCTGZPMDPLOJFB-IDWIKUEFSA-N	565.069	7.814	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409322845	LHDWKTKLEUPBEP-ACXHZZMFSA-N	559.497	6.142	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409324661	UHQUALORXRCIBA-MWLSYYOVSA-N	672.925	5.672	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC	409325372	YCLHYLPNIWVWCF-UHBFCERESA-N	529.471	6.133	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(F)c2)ccc1OCc1ccccc1	409328008	YCACLIZAXFJPKI-BJUCDSOZSA-N	642.319	7.281	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(I)c3)[nH]c2c1	409371017	AGCNVXYXRXOHQP-APSNUPSMSA-N	686.118	8.031	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(C(=O)O)cc1	409374347	NCWOAWYYRXAWGB-GRSHGNNSSA-N	565.367	5.826	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccccc1F	409374611	UXIJCZPOSQSVSV-ZDLGFXPLSA-N	539.348	6.267	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	409392030	NDUYZRDQNFDRNI-FJEPWZHXSA-N	522.830	6.397	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)c1	409394616	CUPJDNSVHUCFTQ-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397331	ITTUFGGVXYYPLR-UHFFFAOYSA-N	586.475	7.832	50	40	KKGB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409400263	CJMBMSZWDZKNDO-KSQHNDHQSA-N	535.644	7.361	50	40	KKGB	
CN([C@H](c1ccccc1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)[S@](=O)C(C)(C)C	1857795130	NYESSIWTNJZMIH-PVUKSDKOSA-N	617.795	8.360	50	40	KKGB	
COc1ccc([C@@H](N[S@](=O)C(C)(C)C)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)cc1	1857795171	QQLMJYVKSJQTCR-OEMUZABFSA-N	633.794	8.026	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1	1856426	PCEAZCNHATUOCK-UXHLAJHPSA-N	533.101	5.985	50	40	KKGB	
N#CC1=C(N)Oc2c3c(c4ccccc4c2[C@@H]1c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O3	2117999	BMNPOXMWCQDTMP-PSWAGMNNSA-N	537.406	6.583	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196253	SVJBHDZBMDNLBL-DJKKODMXSA-N	560.275	7.506	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	8857442	JTGVKVKUYFBDQA-RUZDIDTESA-N	516.026	5.442	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	20348682	QQWIVYRIWGASPU-NDEPHWFRSA-N	526.637	6.149	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cccc(C(F)(F)F)c1	32194034	TUNYKLLKLKBYIH-IPHFVPNQSA-N	509.531	7.594	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OCc1ccc(Br)cc1	59254509	AAMMRBCHBFLEJB-PXLXIMEGSA-N	513.391	6.736	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(Br)cc1	97980648	UFEMZJLKGFTFAY-ATVHPVEESA-N	520.408	6.149	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	100197708	KVPCYSXXACCCCL-KCSSXMTESA-N	589.442	5.121	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OCc1ccc(Br)cc1	100312304	ITHZIMIZGFSZKP-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	100476496	FCCWVEYVRHNQMR-YRNVUSSQSA-N	517.679	5.725	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc2ccccc2c1	100903223	FEXXMWQIWYUDKH-GTWSWNCMSA-N	526.065	6.682	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1cc(Cl)cc(Cl)c1)=C(C#N)[C@@H]2c1ccc(Cl)cc1	102094105	ZXCXAGNWZBPOKV-QHCPKHFHSA-N	546.907	7.084	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2F)=C(C)N1	102807526	YKAOXJRFHNSSTE-VWLOTQADSA-N	553.015	5.787	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(OC)c2)NC(C)=C1C(=O)Nc1ccccc1	102809835	XOODMURTEBRZDG-LJAQVGFWSA-N	554.672	5.800	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2Cl)N1	102809854	NXAWMLLDQYZDJF-MHZLTWQESA-N	547.055	6.494	50	40	KKGB	
COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1COc1c(C)cccc1C	103785721	YGZHSYWQRAERJE-OHUYPAJKSA-N	524.617	6.316	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1cccc(F)c1	103842844	IKMKTRRHUSQDME-UUYOSTAYSA-N	609.439	6.155	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1)Nc1ccccc1	103899348	KSJRKQBAFYDJPO-XBQJKBNESA-N	560.698	5.923	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3C)N=C3CCCC(O)=C32)cc1	104129966	AADPPJUYASHOIW-VWLOTQADSA-N	508.043	6.688	50	40	KKGB	
CCCCCCCCCCCCCC[C@H](Cl)C/[N+]([O-])=[N+](/[O-])C[C@H](Cl)CCCCCCCCCCCCCC	104205771	PKZPFYJBHXBGGP-VRMJTUMFSA-N	579.782	11.856	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1	104899057	VUNCJBSEUDWMFM-WKULSOCRSA-N	530.408	5.459	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	105139456	PQZJYKALDRHSJI-LDADJPATSA-N	521.913	5.420	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2cc(Br)cc(Br)c2o1	209504706	XVBWXUUVEHZGFY-IFRROFPPSA-N	501.518	5.283	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1)c1ccccc1	211013932	MQQWOHAJOGRVPU-AJBULDERSA-N	507.615	5.723	50	40	KKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3CC[C@H](Br)[C@@H](Br)CC[C@@H]3[C@@]1(Cl)C2(Cl)Cl	256454151	XRFONNJUMOCNHA-SSMVMRJISA-N	540.765	7.165	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc(Br)cc1	408531578	ONKFVEFCKOTYCE-ZDLGFXPLSA-N	548.072	7.617	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC	408539899	KJNOMYOZEPKETR-PDGQHHTCSA-N	505.840	7.006	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccccc1	408540102	NALMZSPRNMIIAP-YZSQISJMSA-N	619.353	8.832	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(C)cc3)cc2Cl)ccc1OCc1ccccc1	408540632	USMDDWWKQLVOFN-FZPRHHONSA-N	549.454	7.232	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408541762	FSLUMDXPVVDKAW-UWVJOHFNSA-N	675.220	5.590	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccn2-c2ccc(Cl)cc2)c(C(=O)OCC)c1C	408546660	LPNJGHQQRBFHCI-GHRIWEEISA-N	510.999	5.573	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2Br)cc1Cl	408580210	NBKOEWDDBZUTIC-VCHYOVAHSA-N	516.222	7.146	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl	408599288	RYODTHLOIIAEFM-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(Cl)c1OCc1ccccc1	408608159	OPXZXJBEJXGLJR-SFHVURJKSA-N	514.409	5.467	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408647207	UUBJBKVLZUMRDU-LWSSLDFYSA-N	747.780	5.630	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1ccc(I)cc1	408710907	WAAASDYEPIMEKZ-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(I)cc2)ccc2ccccc12)c1ccc(I)cc1	408712035	WUMFERYPGGXPBV-RWPZCVJISA-N	632.239	6.392	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)ccc1OCc1ccc(Br)cc1	408719661	JDBGOTSNEDYMQX-UVHMKAGCSA-N	533.875	6.074	50	40	KKGB	
CCOc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccccc4)(c4ccccc43)[C@@H]2C1=O	408730281	GTECNILOTLIFGO-HYLOUFHZSA-N	541.607	5.052	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408749545	QMKNBZSCEFILSW-RPPGKUMJSA-N	617.261	5.594	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccccc1	408768598	HMCTXOOCBNBCHX-BIZUNTBRSA-N	542.060	6.300	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)c1	408771095	DEDHTRXNXRWSDW-SILNSSARSA-N	502.039	7.031	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br	408793625	FWSDESBSYPBRHO-LZYBPNLTSA-N	536.220	5.316	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(I)cc1	408795640	LVJBPXDSDLAESA-UDWIEESQSA-N	617.281	6.886	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl	408795883	MXJQPOWPIXQBNO-VIZOYTHASA-N	526.634	8.078	50	40	KKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408807423	CJKAOBQUSJVUIV-RLYXNVJMSA-N	503.440	6.783	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2ccc(Br)cc2)c1	408817113	SXOAHSJDFGUUGZ-LDADJPATSA-N	542.227	6.345	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	408817220	ZYWBFZGGGWKDHS-XSFVSMFZSA-N	518.842	7.268	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc(Cl)c1OCc1ccc(Cl)cc1	408817788	YKQUUBRWXLHMCV-UDWIEESQSA-N	511.405	6.834	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OCc2cccc3ccccc23)c1	408829727	GBMWWVFLNLBXBU-TURZUDJPSA-N	575.064	8.205	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)cc1	408830190	OLAZOMYNORNXIA-MOHJPFBDSA-N	511.603	5.525	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	408836688	UJCFFJSBJXGIMM-DEDYPNTBSA-N	598.824	6.090	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408837310	BYDIXBGBGBRXCP-KCSSXMTESA-N	594.089	5.739	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)cc1	408839942	BNXBKGGJWYUQNO-AMVVHIIESA-N	527.572	6.014	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408845181	PGUJVADJYUXWJY-MHDJOFBISA-N	633.469	7.352	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(I)cc1	408851284	AXMAJWWJTHGPIY-MNDYBZJGSA-N	645.291	6.880	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)c1cc2ccccc2o1	408852661	HNPIJGBWYDIECT-PPDIBHTLSA-N	593.190	6.282	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1	408855705	GSBGFKMFKZVXNG-NVJOKUIPSA-N	548.220	6.854	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408856248	BPKKKIRCAYDRDO-AABVJFSESA-N	711.849	7.343	50	40	KKGB	
COc1cc(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1OC	408857272	TZYCYMDCUJUYFB-RHANQZHGSA-N	518.411	5.996	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl	408859882	UQUCDIDYQIGNGR-ATZGPIRCSA-N	609.973	7.887	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)cc1C	408861402	RPAIBVAMOSIHCM-XJECJHNESA-N	617.093	6.729	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	408867784	NPQYQQGHHIQJRK-ZMBVXGBTSA-N	568.682	7.160	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408873224	OXLCNFKZPPOWSA-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc2ccccc12	408877579	SNUHWYJOGLWIBX-CIAFOILYSA-N	628.388	7.596	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OC(=O)c1ccc(OC)cc1	408880819	IXFVPUPPTUZSKX-CPNJWEJPSA-N	614.290	6.692	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccc(Br)cc1	408881686	OCBQODSHUGWLSF-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OCc1ccccc1	408886274	JKKBXGUGYGEIRF-WOJGMQOQSA-N	544.776	6.078	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408889993	MGOUMODSQUDYDC-LFIBNONCSA-N	651.289	5.750	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)c1ccc(Cl)c(Cl)c1	408898142	UXPOSHBPNDPMTQ-OPEKNORGSA-N	607.107	6.050	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	408904646	MPKPCEYBMDEGAB-NVJOKUIPSA-N	598.207	6.081	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1	408927130	ZSJXXNIANOOYQU-VCHYOVAHSA-N	570.371	6.028	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2C#N)c(OCC)c1	408952431	VWEPQKANGNCRMJ-PMERELPUSA-N	753.619	5.026	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(Br)cc1	408960141	CIEJUNUXJZAZKJ-KKMKTNMSSA-N	558.772	6.108	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(Br)cc1	408977431	DHQOYKRHKZVPSD-MCJRRVPSSA-N	600.513	6.438	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408982398	DMGLIQLQOQJBMD-MFOYZWKCSA-N	595.118	7.952	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)OCc1ccccc1	408991417	NZXKWOAUVIKQCN-UTAZFMOKSA-N	746.787	5.867	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408997188	LRZUVBICGRULKZ-XZYGTATASA-N	676.520	6.109	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1	408998373	BCKNCAVUXSFLQJ-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1ccccc1C#N	409012373	JOCXZHLCWJWGED-IURWMYGYSA-N	770.159	7.018	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1I	409020633	RIWCYLWWPLWTFI-ZNLRHDTNSA-N	822.957	5.715	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409045061	XZIJBJYHTQPYLI-FRKPEAEDSA-N	502.741	6.680	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1OCc1ccc(Br)cc1	409049001	XWHFBMYEMYBEDL-BHGWPJFGSA-N	569.193	5.307	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409057567	HKMPQNWJBWZNLH-WCMJOSRZSA-N	596.508	5.661	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409075448	VQSSSPFWFFKDIH-CIAFOILYSA-N	525.342	6.031	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	409083764	VQXKQGPPASTSOL-OQLLNIDSSA-N	592.324	6.731	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1ccccc1O	409090821	QMQBMGOSAAKQEF-OPEKNORGSA-N	616.168	5.083	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccccc2)cc1OC	409111706	DOICLUSMRDHJTN-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc2)cc1OC	409112160	BQUGJZNDNCHCSD-OKCVXOCRSA-N	588.469	5.616	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1)Nc1ccc(Br)cc1C(F)(F)F	409152025	ISTQXMWLZGBSLV-QFDQHJFZSA-N	632.220	5.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409162399	VCDTXFWTSQDKRW-OPEKNORGSA-N	626.201	5.019	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	409181466	BAKCHIDTNLWESF-ARJUDPSDSA-N	651.473	5.333	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	409185157	SOYIYYYYHOFJLN-KCSSXMTESA-N	642.959	6.036	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(I)c1	409208370	BDUGBCDIYSFTJC-RPPGKUMJSA-N	554.812	5.905	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccco3)cc2)cc1	409218514	FNHRFVCYXHRDNU-MWLSYYOVSA-N	501.926	5.477	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409224042	IMJOHLNUTGQSGB-TULBLKEISA-N	603.418	6.537	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409226394	VSRUSSPNHJACNG-UHFFFAOYSA-N	630.451	5.812	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccc(F)cc1	409247252	CSYGLLSMOZSQIZ-HAHDFKILSA-N	537.429	6.222	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1	409250087	LFXZRUZFZGMAEM-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409266367	WEVPAJSNLDGKJE-VXLYETTFSA-N	526.376	6.690	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409304851	SFKUUNRMNPLNRT-FDVSRXAVSA-N	606.311	6.361	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)ccc1OCc1ccccc1	409319568	ILEYLVOZVCXMSP-MNBJERMJSA-N	545.433	6.380	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)ccc1OCc1ccccc1	409326235	ITHNXCDMTBUBFP-MJXLXAJKSA-N	599.949	7.411	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3c(Br)cc(Br)c4cccnc34)c2C)cc1	409336166	MCCVFHMVCVKFOX-CPDSRJINSA-N	600.311	6.095	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	409362825	SZYKNPQFDSRIHS-WGARJPEWSA-N	516.233	5.792	50	40	KKGB	
O=C(NNC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1ccc(NC(=O)c2ccccc2)cc1	409369943	HZCDGZFYWSMRRB-IZZNHLLZSA-N	731.558	5.273	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)c(Cl)c1	409370968	AUWOVOOYLSISLI-PPDIBHTLSA-N	614.223	5.787	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(I)cc1	409371670	JSSUPGDGAYRZCU-GRSHGNNSSA-N	560.775	6.895	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1Cl	409373958	IYKIZLXXGITIRP-IUXPMGMMSA-N	590.248	7.435	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395487	OEOZRCSOQRTQKD-UHFFFAOYSA-N	804.673	8.496	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396997	DVMYEKXKEJVCOG-UHFFFAOYSA-N	548.555	6.125	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397190	HGAUHNOXAJNLDX-UHFFFAOYSA-N	642.108	7.204	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397421	JRNAEJKJLLAHMD-UHFFFAOYSA-N	583.000	6.697	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(OC)ccc(Br)c2c1-c1ccccc1Cl	409397572	LJWSMCKMDBOINB-UHFFFAOYSA-N	667.343	7.905	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)Nc1ccccc1F	409400398	CTPBUOVRYKLZHR-KOKCXWAISA-N	640.668	6.204	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	1529548081	XEQNWYZUAVDQKO-XINRNAFCSA-N	645.540	5.597	50	40	KKGB	
CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)c1O	1821925	CIQHFMRISAPLPX-FDAWAROLSA-N	559.692	5.587	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccco1	2200873	OEBIQPCIAXQMBA-XMMPIXPASA-N	515.591	5.056	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)sc(C)c1C	2422323	CNKOEJPEBYKBCH-AQTBWJFISA-N	527.627	6.901	50	40	KKGB	
COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](OC(C)=O)(C(=O)C(Br)Br)[C@]3(C)C[C@@H](C)[C@@H]21	4288076	CQPHZFNOXSLULF-NEEUDGOKSA-N	542.308	5.784	50	40	KKGB	
O=C(NN=C(n1nc(-c2ccccc2)cc1-c1ccccc1)n1nc(-c2ccccc2)cc1-c1ccccc1)C(F)(F)F	8426873	GWEBBXTYYIEVDH-UHFFFAOYSA-N	576.582	7.094	50	40	KKGB	
COc1ccccc1CN1CCN(Cc2ccccc2OC)C1c1ccc(N(CCCl)CCCl)cc1	19325037	SGSYBARUOSWCLU-UHFFFAOYSA-N	528.524	6.004	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1C#N	33353380	JRGJAMOEFPZLDK-INRUPRTJSA-N	701.199	6.357	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl	59117368	GULXOPPCXOPPQD-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N\NC(=O)COc1c(C)cc(C)cc1Br	59211868	BFGHLCVZEIEAKE-UYOCIXKTSA-N	549.057	5.129	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3/C[C@H]4CC=C[C@@H]34)cc2)c(Br)c1	64715114	FPVBOIBRAJSZDR-BMAWUKLYSA-N	504.222	5.781	50	40	KKGB	
COc1cc(N(C[C@H](C)Br)C[C@@H](C)Br)ccc1/N=N/c1ccccc1C(=O)O	95848288	WUBLXGHQQPESHV-MYRRBKGQSA-N	513.230	6.182	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@H]1c1ccco1	97950477	UDHURXYSUHYDSH-MHZLTWQESA-N	528.634	5.612	50	40	KKGB	
O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1cc(Br)ccc1O	97954111	CSRSIPGPJKYZCF-IFSBUVSJSA-N	539.433	6.274	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(O)c(Cl)c1)c1cc2cc(Br)cc(I)c2o1	97960936	UNAHKNVCHMDTRO-AERZKKPOSA-N	553.965	5.576	50	40	KKGB	
Cn1c(Cl)c(/C=N\NC(=O)c2cc3ccccc3cc2O)c(/C=N/NC(=O)c2cc3ccccc3cc2O)c1Cl	97964873	SERCEELXHWWBCH-VTJTYXOWSA-N	574.424	5.577	50	40	KKGB	
COc1ccc(/C=N\NC(=O)c2sc3ccccc3c2Cl)cc1CSc1nc(C)cc(C(F)F)n1	97965689	HZJHZSIBSASESI-FXMZOFOKSA-N	533.025	6.656	50	40	KKGB	
Cc1cccc(CSc2nnc(N3C(N)=C(C#N)[C@@]4(C(=O)Nc5ccc(F)cc54)C4=C3CC(C)(C)CC4=O)s2)c1	98007255	FAKDSPLXROPPFD-GDLZYMKVSA-N	572.691	5.325	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)Cc2ccccc2)cc1OC	100303969	BKJHEKNTZZSUPY-AEUUOICLSA-N	628.673	5.471	50	40	KKGB	
Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(c2ccc(Br)cc2)C1=O	100990679	VJJPRZQTKMXKRB-JSIHEXFSSA-N	522.424	5.093	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1	101178610	BFGHEDJFHVAKMB-HEQFHQOESA-N	601.353	6.541	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@H]1c1ccccc1Cl	101273347	WUUIQGAHLBAKGC-HSZRJFAPSA-N	547.986	6.156	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1I	103652428	VERSEDZKBDCHMS-XFXZXTDPSA-N	519.682	5.658	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc([N+](=O)[O-])c1O	103694427	HBVUIWJHFJDLBA-YIXHJXPBSA-N	526.324	5.366	50	40	KKGB	
O=C(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)N/N=C\c1ccc(N(CCCl)CCCl)cc1	104052296	XYUDFWAJDJOESZ-VYYCAZPPSA-N	538.888	5.226	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCc1ccccc1	109052925	CBJMTZPUGVYSKC-STBIYBPSSA-N	550.396	5.725	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342150	OASDPJNBARLECF-UWTATZPHSA-N	742.023	9.022	50	40	KKGB	
O=C(CC[C@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21)NC(c1ccccc1)(c1ccccc1)c1ccccc1	150371905	WRWXMBFQRYDICM-DHUJRADRSA-N	636.704	7.171	50	40	KKGB	
N#CC(C#N)=C(C1CC1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12	239425868	VJZCKEQNVPBUPV-KWBMWPQYSA-N	502.017	6.961	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2OC)ccc1OCc1ccccc1	408538766	QLVJSFWUXVDQJO-MFKUBSTISA-N	629.507	7.266	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408543172	PVENXDAEUXAESX-NVMNQCDNSA-N	599.337	5.031	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543272	OPYPHGGFFFAEDL-KBVAKVRCSA-N	540.447	5.971	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OCc1ccccc1	408552346	RTSYVRIAJNABNC-HZHRSRAPSA-N	509.631	6.360	50	40	KKGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccccc1	408607944	FVFQFUXBCOENRK-JZNDDVEWSA-N	514.807	5.009	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c(OCc2ccc(I)cc2)c1	408609118	YVWCTRFAODLNIW-HZHRSRAPSA-N	576.482	7.274	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408641685	LABUCPZBMZKQKJ-NGSHPTGOSA-N	747.780	5.630	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408643199	FUDDXYYVBMXBLF-OKYJVQAOSA-N	657.186	5.708	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1	408647043	JFHVUCPNUMIMBD-BBCKRIEKSA-N	663.577	5.665	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c1	408667838	TVEVILKQCIHGJN-UHFFFAOYSA-N	574.516	5.927	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	408718009	BEUOJMLFWXYXJY-YPXUMCKCSA-N	561.046	7.046	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1	408743300	VQMVVOCDVFZCPY-MYBYBSHWSA-N	656.580	8.925	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408746433	DJVMJNIMDVOBNE-KYHGBAKBSA-N	523.391	6.098	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408746961	IPFIUBNKRZCYCP-KYHGBAKBSA-N	612.293	6.316	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(I)cc1	408760408	YCYWNGKPPJVGFX-PDGQHHTCSA-N	559.201	6.178	50	40	KKGB	
C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408824234	GKOIOMSOPISOBI-RCCKNPSSSA-N	519.395	6.147	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)c3c(C)nc4sccn34)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408833028	YTARLBNMDFBKCL-FDVSRXAVSA-N	582.107	5.414	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408839386	RNFKRNFESVLJLA-GKEHTTQRSA-N	693.406	8.606	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408842740	AXWJIZGWPBCZBO-DBSPGSINSA-N	652.545	7.655	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)c(Br)cc1OCc1ccc(Br)cc1	408843364	DYHQDQDAPRTWFR-UVHMKAGCSA-N	611.128	6.716	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc5c(cc4Br)OCO5)cc3)cs2)cc1	408849384	YDEHMXIAPQSKGZ-KKMKTNMSSA-N	535.423	6.117	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	408849561	ZHZRIYQOLNCBBN-XAZZYMPDSA-N	583.497	6.875	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc3c(c2)OCO3)cc1	408852730	HWOUCJFUJRYIRP-GXBUFBABSA-N	529.596	6.524	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(C)cc1	408859031	SFGWCBQTGLHWLO-MBTHVWNTSA-N	507.384	6.245	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408863832	RGHSYPIBDKJLJT-ALQBTCKLSA-N	671.013	6.734	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cc(Cl)cc(Cl)c2)cc1	408863875	VAELGQMXKLAUKS-ROPCREHHSA-N	638.404	7.362	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	408864734	ZJRPUHXYZSLDRN-ALQBTCKLSA-N	687.012	6.434	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2Cl)cc1	408869402	CXPIWHJQPCRHSU-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408883056	SVCOBICNFOFGCZ-VCHYOVAHSA-N	503.293	6.743	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408888357	UQXPPWLHBQNSHL-NTEUORMPSA-N	674.256	5.828	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)c(Br)c1	408892396	ZENZWPZAYJVPKG-PXLXIMEGSA-N	576.288	7.798	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)S(=O)(=O)c1ccccc1	408892747	JJPCWJJVBFYKAD-MUFRIFMGSA-N	556.475	5.142	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OCc1ccc(Cl)cc1	408897647	ZGLPUFIKJGFSEV-MWBNBJEGSA-N	677.023	7.916	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	408923491	IXAOYYSJJWLMQS-LICLKQGHSA-N	530.389	5.265	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2OC)cc1	408923757	JQPAXFWAVLPOPI-FOWTUZBSSA-N	533.389	5.324	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	408938868	LXAXJXRVKNWDFJ-QNKGDIEWSA-N	636.568	5.420	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	408943034	GXEHJQGOHOEFFM-SSEXGKCCSA-N	601.773	5.277	50	40	KKGB	
N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	408956822	YOZPGUXNKUSTCG-ULJHMMPZSA-N	506.005	6.819	50	40	KKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c1C	408962294	YFTXFCDETYVJDC-DHRITJCHSA-N	501.368	5.039	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1cccc(C)c1	408969621	QWYSNZSQPJUYBM-IHMSYIQPSA-N	545.680	5.341	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)Cc2ccccc2)c(OC)c1	408978112	YDEDXXCLWLCFPA-UHFFFAOYSA-N	543.730	5.672	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c2ccccc2)cc1	408978774	JZJQPNIUDQXMDP-GBCYJOOSSA-N	546.605	5.032	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408979940	OSGSFZKBZRWAAS-IQZQLMGCSA-N	632.555	6.742	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	409002638	OUWVOLAUEPZQES-LMUZBFEMSA-N	590.507	6.983	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1	409003342	RZPMQBFEGBPUFO-KPGMTVGESA-N	655.730	7.100	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1cccc(F)c1	409029425	ATKZJQYJOJFTJO-KVAAJVFYSA-N	631.527	7.807	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4c(OCc5ccccc5)ccc5ccccc45)cc3)cs2)cc1	409034336	HIDVPEAYGHQWQF-QLQYKETESA-N	568.702	8.358	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	409038791	BEGLMNYAXNEUDN-VCHYOVAHSA-N	523.228	7.040	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	409089282	ZSDCLOVTBKBBTB-NTUHNPAUSA-N	533.711	6.801	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc2ccc(OC)cc2nc1Cl)S(=O)(=O)c1ccc(Cl)cc1	409112190	BGXDUXUQXBEKDP-OKCVXOCRSA-N	587.485	5.295	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(F)cc2)cc1OC	409119246	RUGCEHDIUTUTJC-QLQYKETESA-N	627.694	5.921	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1Cl	409127294	CUKNRFDKAAOIRH-HHHXNRCGSA-N	570.517	6.354	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(Br)c1	409147743	YVQQBQOEJOIUBT-LGJNPRDNSA-N	599.732	5.206	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)c(OCC)c2)cc1	409176004	WRUTVPRMCZOFQY-FDAWAROLSA-N	567.042	5.024	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1	409185420	LHJLCBWJWYSSEH-RUMWWMSVSA-N	541.673	5.735	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409186924	JQRKJKLTUNXABM-CAQPMQTCSA-N	542.588	6.000	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409224138	IWDCGPRZNWMBKC-QGOAFFKASA-N	510.377	5.955	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccccc1	409234659	OOEYZNIOQWHOPN-JLPGSUDCSA-N	566.439	5.925	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)c1	409257511	SCLWYMBAEPROAH-VCHYOVAHSA-N	510.377	5.879	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409259340	YNFRQTOWEOLZIC-AEVGBRMKSA-N	674.610	8.349	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1	409259552	AOUNEVOSDNSYIV-NVJOKUIPSA-N	593.703	6.263	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1	409265008	NENFHSLMPCLZBK-MHWRWJLKSA-N	589.671	6.428	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1	409266430	WSHMGLGPBZGNSC-MTJSOVHGSA-N	547.995	5.315	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409270147	COJGCHUPRSHNJP-QDTIIGTASA-N	544.833	5.509	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409303507	NGADMHPCMHDTPK-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)ccc1OCc1ccccc1	409315926	XHYTYVKMTXIJRJ-DLCNMLRHSA-N	672.801	8.186	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(C(=O)O)cc1	409337894	YXJQQJIWONTUCE-RGVLZGJSSA-N	616.839	6.475	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)cc1	409395889	SWSFIEQIOZIFOH-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409397625	MAFHZPQFSRLFCI-UHFFFAOYSA-N	522.004	7.088	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)o2)cc1	409405295	SPUDCYMOSQUPNL-HQDYHJHZSA-N	643.494	7.280	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	1529546093	CPBNRKZMXJCARQ-VUSQDURTSA-N	832.342	6.825	50	40	KKGB	
C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@@H]3[C@H]([C@](C)(C/C=C/C(C)(C)OO)O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@@H]4O)CC[C@@]32C)[C@@]1(C)CCC(=O)O	1775964073	QJHBVGJDEBZDIX-GJIMQTIYSA-N	680.876	5.263	50	40	KKGB	biogenic,in-vitro
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	1260429	YDYJCJHRGBXJRK-NDEPHWFRSA-N	508.647	6.010	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccccc3C)n2-c2ccccc2)c1O	2098099	DWCXZFUDJKSISZ-KQPIQEFLSA-N	595.523	5.295	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)ccc1O	2706531	AVLSGQXBAWGIEY-JFLMPSFJSA-N	552.454	5.044	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1	3112726	YYFNSLGZEWZKNC-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)S(=O)(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1	3307672	JEZRNRVJRPMARH-UDWIEESQSA-N	531.417	7.330	50	40	KKGB	
O=[S@@]1c2ccc(Cl)cc2C[C@H](SS[C@@H]2Cc3cc(Cl)ccc3[S@@](=O)c3ccccc32)c2ccccc21	5834079	HDJWIAKCZPDXOF-QWJOLSBWSA-N	587.640	8.603	50	40	KKGB	
O=C(CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1)N/N=C\c1cc(/N=N/c2ccccc2Cl)ccc1O	5941673	FLWSLQDKSRAEOV-OZKIRYCNSA-N	574.424	6.828	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc3c2C(=O)c2ccccc2C3=O)o1)C(=O)Nc1cccc(Cl)c1Cl	12276115	RPRISQLHRPJYSA-FYWRMAATSA-N	513.336	6.574	50	40	KKGB	
CC(=C/c1ccco1)/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3	13564162	OJPGCYUQPNRAHI-IFHSORIPSA-N	518.664	5.525	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1	13689575	NTOGGRNRMGEQHX-UXHLAJHPSA-N	513.667	6.163	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)cc2)CC1	57294239	YQDLPAGUBQNLEY-QCFMCPCVSA-N	528.656	6.088	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)O	59336454	FNBIQKFEEFEDQL-SDQBBNPISA-N	514.159	5.164	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H](Cl)[C@@H](Cl)c2ccc([C@@H](Cl)[C@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	68563485	LYNBJUDBJRYFET-CIAFKFPVSA-N	604.186	7.839	50	40	KKGB	
CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@@H]1[C@H](Cl)[C@@]1(Cl)C(=O)N(c2ccc(Cl)cc2Cl)N=C1C(=O)OCC	96168992	YJACLDRDHRHGRQ-KMEZTADASA-N	683.159	5.733	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(OC(C)=O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	97959548	DTPFAWORUKQHDW-UZWMFBFFSA-N	571.703	5.798	50	40	KKGB	
CC1(C)C(=O)[C@](C)([C@H](Br)C(=O)c2ccc(Cl)cc2)C(=O)O[C@H]1c1ccc(Br)cc1	98005068	ADXWRPVULOFEOR-FGSXEWAUSA-N	542.651	5.948	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1	98006077	WDVUWTITULQMFJ-JOCHJYFZSA-N	612.659	6.698	50	40	KKGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c1C	100100263	QMIUTSKQZVOAMA-KBVAKVRCSA-N	546.534	7.362	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(C)cc2)cc1OC	100304207	GEEVXNWIMIHPNG-KCSSXMTESA-N	595.121	5.419	50	40	KKGB	
COc1ccccc1/C=C/C=C(\C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1	101339578	LDARYSPNXFLXIO-GFUHDUPZSA-N	542.458	7.454	50	40	KKGB	
CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1Cl	101371283	OOJMPVFVYRZEBS-NRFANRHFSA-N	533.770	6.622	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	103889886	GTUGYLHBMXHTGW-PXNMLYILSA-N	577.218	6.797	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](Oc5ccccc5)CC[C@H]4[C@@H]3C[C@@H](Br)[C@]2(O)C1	118927538	ITFRLFYVHXDNCR-ULFSDKRUSA-N	505.493	5.897	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](Oc5ccccc5)CC[C@H]4[C@@H]3C[C@@H](Br)[C@]2(O)C1	118927539	ITFRLFYVHXDNCR-CUYXVOACSA-N	505.493	5.897	50	40	KKGB	
CC(C)C[C@@H]1N=C(NN=C(CCl)CCl)O[P@@]1(=O)NCCCCCCN[P@]1(=O)OC(NN=C(CCl)CCl)=N[C@H]1CC(C)C	150420317	FYIAEBHMNQKKSA-YMOKZSGYSA-N	712.428	6.475	50	40	KKGB	
C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O[Si](C)(C)O[C@@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)CC[C@H]12	263596208	FKAPETDRFJWMCD-KTYBPRCZSA-N	633.002	9.522	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)ccc1OCc1ccccc1	408538115	JFBFADNIQLLQFK-GQWFFFTNSA-N	833.002	10.663	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2OC)ccc1OCc1ccccc1	408539321	VKDFFEPEIJJZPQ-QJOVZPHJSA-N	607.732	7.448	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC	408539543	XENYRNPYXCIXBY-HMMYKYKNSA-N	517.439	7.272	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1cc(Cl)ccc1Cl	408569441	NOLIVVSXCDMLNY-UVHMKAGCSA-N	520.507	6.409	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408681325	HSRRTOAEKYHXDV-GFBDQPOWSA-N	601.122	5.329	50	40	KKGB	
O=C(COC(=O)CCCCCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)NNC(=O)c1ccccc1Cl	408681923	JSVSYVUFGQYSMI-UHFFFAOYSA-N	609.677	5.114	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	408710667	DEEYHKRAAAXGFU-CCVNUDIWSA-N	555.270	6.296	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408711782	KEIKLKCXTJDQOP-NUJZUDFISA-N	521.828	6.326	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc2ccccc2c1	408722323	HFMYAYCYPCNFKS-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408726569	SZSJZMGOJRSWNN-YVLHZVERSA-N	589.773	5.986	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2-c2ccc(-c3ccccc3)cc2)c1	408727328	VXXQJQUSYWFGHZ-HNSNBQBZSA-N	525.439	7.585	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	408744642	MJENKONUHOEGHI-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OC(C)=O	408754707	LHQFVDPQAPMROU-WKULSOCRSA-N	547.490	5.767	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc2ccccc2c1	408756494	SKHYOYOXTPAMCF-OYKKKHCWSA-N	527.418	7.126	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccccc1Cl	408760824	AFGXLINACZZSTG-MFOYZWKCSA-N	576.672	6.998	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)Nc1cccc(Cl)c1	408766821	HCIGZOFFISYGGI-KCSSXMTESA-N	544.076	6.555	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccccc1C#N	408797456	RPUFKSJFVFSTAD-RGVLZGJSSA-N	518.367	5.550	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408798697	WROSKGSEFFTAQW-VXLYETTFSA-N	570.827	6.843	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1	408808122	FCDOFTSOYUFYQU-KXWHUPIZSA-N	511.419	6.966	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	408810343	IRZXNDJBMKXHKQ-DEDYPNTBSA-N	521.831	8.233	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408827424	JPWZIDYTTVWFDQ-HNSNBQBZSA-N	592.117	5.890	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408834405	ZCHZJOREQLGAKQ-MHDJOFBISA-N	630.391	8.400	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408838343	DPOJONOSNMEMDY-ODQASSKESA-N	723.457	9.421	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc(OC)c1OC	408839283	QANUGXNFBHEXQQ-IZYHBKOJSA-N	658.132	7.124	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(I)cc1	408839372	RGSLRHRSVVNWFC-QNVXDBMFSA-N	773.878	8.926	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408844332	NKTMIJPFKCVENQ-YSYOEVFLSA-N	710.481	9.673	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1	408849534	WYEJDJZMTNCAHW-FDVSRXAVSA-N	568.265	7.029	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)c1cc2ccccc2o1	408854547	ICBAFAAGXHFVKN-PPDIBHTLSA-N	593.190	6.282	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408861531	CRKCHHPCAICGOX-KBKYJPHKSA-N	524.198	5.813	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Br)c1	408865837	FYHBAGFSSVXBMT-FYJGNVAPSA-N	524.256	6.965	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Br)cc1Cl	408866814	JFHBEHSZZXSMCU-YBFXNURJSA-N	500.223	7.201	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1cccc(Cl)c1	408873228	OXVWWFJTSXVTPD-XODNFHPESA-N	507.801	6.154	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCc1ccc(Cl)cc1Cl	408874606	CKYQXTBZPFPDMG-IPCMNJIFSA-N	601.312	6.852	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2OC)cc1	408878588	AUJRQRLLVIPXEF-LICLKQGHSA-N	726.159	6.907	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1[N+](=O)[O-]	408883316	QPYOSSRAYIMSAE-BIZUNTBRSA-N	595.718	6.054	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408887216	MREGGHPITNMTSB-BRJLIKDPSA-N	563.748	5.874	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408889597	HLOWWDKXLGSKEI-RQZCQDPDSA-N	587.224	6.253	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408890612	WLODPJKEJPYSLV-DEDYPNTBSA-N	667.297	7.370	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408891612	TZZVXOKLXRLTNM-VYVUJPJFSA-N	758.298	5.749	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	408937639	KOXWTYKNNIYZLD-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408950432	KFFFMOYRCHEKIO-QFEZKATASA-N	723.352	7.375	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(Cl)cc1Cl	408963214	AXHAGZWYLDPBJG-KKMKTNMSSA-N	514.321	5.999	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1Cl	408966149	ZCNNUMRTBAGMJT-ULPWCQAASA-N	541.751	6.473	50	40	KKGB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)c2C)cc1	408980167	PQVMMMFNJXFWNP-YUFMIYQMSA-N	564.686	6.063	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc2c(c1)OCO2	408983428	MAYBQBDNANJHOE-UWVJOHFNSA-N	569.839	6.663	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(C)cc1	408988609	IMTWRIQARUURRH-UCQKPKSFSA-N	535.869	7.573	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(I)cc1	408998419	LTDJVIUZFHXACX-IFSBUVSJSA-N	590.465	5.710	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1ccc(Cl)cc1Cl	409029446	AYVXXWYPLDQEOX-HXCXGEGBSA-N	611.441	5.868	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409044734	OWVYGIKIXYYNAB-PTEHHBOZSA-N	642.395	9.510	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCc1ccccc1Cl	409075821	YGYPMGURDFFSKX-LFVJCYFKSA-N	531.008	6.378	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2)cc1OC	409114170	CXXAWEYLRWGWGF-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1	409117311	OCEFBIHWMNHKLK-XZYGTATASA-N	640.589	6.934	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)cc1Cl	409118991	QXGDCPCCJRYCKE-PNQUVVCRSA-N	572.341	7.661	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(CC)cc3)c(Cl)c2)cc1	409158741	YUPIEPYAJMORBQ-FDAWAROLSA-N	551.043	5.188	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	409163339	PZBVZIAOTLPOMW-FJEPWZHXSA-N	532.855	6.793	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	409179326	QOJZKGNTQZRWDY-NJVFWAMFSA-N	731.388	5.819	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409209200	GLCIKQDQLZFYFM-IPBVOBEMSA-N	635.738	7.081	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)n1	409234135	MDMJELTWTKBRDR-NSKAYECMSA-N	676.293	5.263	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br	409260306	OHWHLMGRHSFONX-QMRORBIVSA-N	719.459	8.169	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409303416	MTJAJBPNDWJVRT-DBFSUHOCSA-N	537.878	6.231	50	40	KKGB	
Cc1cc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)ccc1Br	409316941	RTZJUPTUBYVIJZ-INIZCTEOSA-N	535.261	5.231	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409371654	JFYOMNBDZGHNOC-IUXPMGMMSA-N	570.641	7.903	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409394477	AWLSRPKWNCAXGK-UHFFFAOYSA-N	766.739	8.857	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(OC)c3)c(-c3ccccc3Cl)c2c1	409396353	XXUKEEQBDQQGEM-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397481	KIHNEUDZUDGSBW-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397688	MVMOQHLJSBJZQC-UHFFFAOYSA-N	646.071	7.035	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409398130	QZNMDRYKDZQQEG-UHFFFAOYSA-N	586.417	6.728	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccccc1C#N	409400136	BPBZRVWVNXLJFY-CLHYIUPASA-N	604.663	6.498	50	40	KKGB	
CC[N+]1=C(/C=C/c2ccc([C@@H](Br)[C@@H](Br)c3ccc(OC)cc3)cc2)C(C)(C)c2ccccc21	605822544	GZENMWNQKLXGBG-UMNWIFJXSA-N	568.373	8.377	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1	1529548990	RQCWPPYZKMWWGX-AYSITGFNSA-N	795.348	6.438	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1	939430	XHBHKNMRTNDYMB-SFQUDFHCSA-N	524.827	6.955	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	1767563	DFZAYIJPYFHKLF-HYARGMPZSA-N	530.447	6.621	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc(Cl)c(Cl)c1	1778383	YWYAQEJSNJINOS-UVHMKAGCSA-N	522.889	6.653	50	40	KKGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CC(C)(C)C3)c1	2186070	AONSIYMZXRHGQH-XMMPIXPASA-N	528.678	5.735	50	40	KKGB	
O=C(CCCCCCCC(=O)NN=C1CCC(c2ccccc2)CC1)NN=C1CCC(c2ccccc2)CC1	8856261	DTKZTYMQVCCVDJ-UHFFFAOYSA-N	528.741	7.377	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1	10476053	HIJJZBGQACAKEY-UXHLAJHPSA-N	517.423	6.273	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1cccc([N+](=O)[O-])c1	13898851	VUCDNGPALIPQMW-QQXSKIMKSA-N	513.023	5.644	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc(Br)c1O	16195003	DTBRSKPFZYSAPF-BRJLIKDPSA-N	505.821	5.873	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2cc(Cl)ccc2C)cc1	59652740	MQQMKMJLUPEBOF-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
O=P(OCCCl)(OCCCl)OCC(CCl)(CCl)COP(=O)(OCCCl)OCCCl	95803363	ZGHUDSLVQAGWEY-UHFFFAOYSA-N	582.993	5.721	50	40	KKGB	in-vitro
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1Cl	97951871	XRKYQFQYLTZWEY-RUZDIDTESA-N	540.085	5.523	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1ccc(NC(=O)C(C)C)cc1	97965734	MHIOFJRIPYTEGA-KYHGBAKBSA-N	545.437	6.118	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1	98045716	WZTNJDLAKGTIDT-PMERELPUSA-N	620.558	7.382	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1	100066411	DYTYBNXTJKMXCO-NVMPUMLXSA-N	552.103	7.196	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	100126021	QIVAJFTXCNFHNE-OCSSWDANSA-N	583.483	5.341	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1	100227819	GZOMQYQUTZNILQ-WQRHYEAKSA-N	593.248	7.121	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240443	DJTPEZZJASOEPZ-FMFFXOCNSA-N	572.086	6.391	50	40	KKGB	
O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)[C@H]1CC1(c1ccccc1)c1ccccc1	100391626	ATQMIXZHNZFZLG-FBTIBXIWSA-N	540.450	6.367	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(OC(C)=O)cc3)nnc2-c2ccc(Cl)cc2)cc1	100852013	WXHLFJSEYVMPGC-UXHLAJHPSA-N	564.067	5.544	50	40	KKGB	
N#CC1=CN2[C@H](C(=O)c3ccccc3)[C@H](c3ccc(Br)cc3)[C@H](C(=C(C#N)C#N)c3ccccc3)[C@@H]2C=C1	102416573	WPNWFDHBIAIXKW-LYXINOJLSA-N	557.451	6.563	50	40	KKGB	
CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528322	VIAIGVBNNAERGV-LBPRGKRZSA-N	564.261	8.814	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1cccc2ccccc12	103890919	GQOREDWALABQFW-JLPGSUDCSA-N	543.450	8.008	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	103894761	IEYSZAJWBGLONQ-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	112265234	DTDVMBWWMHQMPT-XKJRVUDJSA-N	577.253	6.163	50	40	KKGB	
FC(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342214	AKTACEZNQMVCGA-REOHCLBHSA-N	692.016	8.387	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	150600491	MHLSGAYSFCJSFC-QWKCNVQFSA-N	656.527	6.492	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)c(C#N)c1C	408545962	ASCFNVOWJAGJCS-UUILKARUSA-N	538.217	5.054	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)c(C(=O)OCC)c1C	408547587	ZFNSQGVESWIRDC-RCCKNPSSSA-N	583.666	5.722	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550782	JXKBGAKVSLKHQO-LFIBNONCSA-N	515.507	5.653	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551556	NJVYTTPIOFFVLP-XDHOZWIPSA-N	565.436	6.228	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408567465	NNGZIIGTWFMIJU-UKWGHVSLSA-N	575.233	7.512	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	408570480	VRWBSAWSHPRTHJ-KBVAKVRCSA-N	593.568	7.189	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccccc1Cl	408592518	YWSFENZIFPZAPF-KBKYJPHKSA-N	651.069	6.546	50	40	KKGB	
O=C(NNc1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408602546	DQGXPZWIFWYXTP-INIZCTEOSA-N	549.252	5.831	50	40	KKGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)c1	408612829	YXHNZGNKMKLKKH-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1	408659586	VZCIQBGGPUGFPE-SALHHSCVSA-N	799.321	6.088	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	408684910	PVHLNOPQSFYQLO-VPUSJEBWSA-N	652.295	7.154	50	40	KKGB	
Cc1cccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1	408727617	FSEYKOBCYCSNJD-ZCTHSVRISA-N	532.065	6.116	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1	408746184	YBDYYTRPGUDBNR-NVMNQCDNSA-N	647.263	6.306	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747374	MYMSJEBGBZERPT-APSNUPSMSA-N	590.655	6.718	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408753889	ONTGCZWOOGGNFE-LICLKQGHSA-N	608.841	5.575	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Br)cc1	408756319	PYMGDLHAAPPDNB-STZFKDTASA-N	552.266	7.065	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408759108	XWTLOIJKYJNPRI-YBEGLDIGSA-N	566.260	6.378	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408765235	KTHXDOSUNCUCKX-MHWRWJLKSA-N	651.289	5.832	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408789443	JGIVBHSCLIMLIL-CAOOACKPSA-N	689.118	7.636	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1	408796885	QHACFXCPVANZCE-LPYMAVHISA-N	640.430	5.689	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br	408797505	SDWJONSDPKVEDK-UDWIEESQSA-N	614.290	6.278	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)cc1	408811681	AHJDEFZNXZZZCV-GRSHGNNSSA-N	529.793	6.053	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Br)c3)cc2)cc1	408814649	RVNVUSVJHHGKLB-QGOAFFKASA-N	506.356	5.021	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408817355	WDCCASRBYFKKEB-PUINXUHPSA-N	577.128	6.766	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC	408825656	DORCMEOWPZLRMV-WKULSOCRSA-N	627.344	5.675	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OCc2cccc([N+](=O)[O-])c2)c1	408827222	KMDBMPLEGWOKDT-VCHYOVAHSA-N	523.929	5.399	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1OCC	408828682	IQHWVNLLBRLYPG-NDZAJKAJSA-N	537.682	5.221	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408829280	NMSBNDRZXLNDEO-MTDXEUNCSA-N	726.465	9.776	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OCc3ccc(C)c(C)c3)cc2)cc1	408830374	ODRIJCLAAVNVMX-OGLMXYFKSA-N	537.059	7.969	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2C)cc1	408833163	ZLHDHPZOOFVQJG-IPPBACCNSA-N	523.964	5.321	50	40	KKGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408837833	OMAFBWRNJIRMGL-LPEPFOFCSA-N	675.392	6.460	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838950	KQTVYMYKJRSJHX-ODQASSKESA-N	630.988	9.281	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840824	BYFBJCWXDFAQGW-PTEHHBOZSA-N	686.846	9.619	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	408852445	KXHRRKPNWJPSMP-UCMJSZAQSA-N	516.601	6.322	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2cc(C)ccc2C)cc1	408857485	HCIKQLOATFYPTP-ALQBTCKLSA-N	602.688	5.114	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)c2cc(Cl)cc(Cl)c2)cc1	408857540	KMXPMFCDNRMZCM-XODNFHPESA-N	564.516	5.142	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c2ccccc2)cc1	408861069	LZVQJTFWJHQQTN-KVAAJVFYSA-N	707.430	6.698	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Cc1cccc(F)c1	408867747	MUIZIQWUXDUSEZ-GIJQJNRQSA-N	502.895	7.033	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc(C)c3)cc2Br)c(OC)c1	408871825	ZZMWWZYKFZSXBA-SSDVNMTOSA-N	551.437	5.586	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1Cc1cccc(F)c1	408873710	WKQKBRIQECOTEB-RQZCQDPDSA-N	530.312	5.714	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc(C)cc1	408878412	ALTIUONBMGHLHT-WCMJOSRZSA-N	586.497	6.224	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccc(Cl)cc1	408878521	AEHCZLJAGHNDRX-XDHOZWIPSA-N	604.726	7.697	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OCc1ccccc1Cl	408879889	HRWFMAWDORJQTB-WOJGMQOQSA-N	544.776	6.078	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OC	408890407	SNNYXBDREBNBDM-WUXMJOGZSA-N	514.601	5.736	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OC(=O)c1ccc(OC)cc1	408897386	RXNSQSZUQIGXJH-LDADJPATSA-N	694.263	6.068	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1	408900124	SUUNUWUJAJPBPO-RQZCQDPDSA-N	572.799	6.153	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc(Br)cc1	408904206	GKWWSLPIHJTMIG-QDTIIGTASA-N	640.170	7.416	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Br)cc2)c1	408921240	AAJVYFPISMEEHT-WOJGMQOQSA-N	508.328	5.491	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c([N+](=O)[O-])c1	408922719	GEHIGUIUPLZMGN-JJIBRWJFSA-N	529.552	7.034	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cc2)cc1	408924236	MFHAJMQCHBAJQC-JBASAIQMSA-N	586.651	8.037	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1	408948518	PHSMJKQBLNLWFW-HHHXNRCGSA-N	716.452	5.676	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O	408969140	IAJOZXLYAXDESV-UVQKAKQTSA-N	623.331	5.505	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(C3CCCCC3)cc2)c1C)c1ccccc1	408982893	ZQTFNTISHFVWKP-AOYMVWLXSA-N	514.670	6.469	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(F)c1	408985308	WLIKEICPCCCTSL-OCKHKDLRSA-N	543.820	7.073	50	40	KKGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409004240	BLZHJTXRLOXUTI-NDZAJKAJSA-N	584.536	5.502	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccco2)cc1	409010528	FIGATLVMGKCWGD-OGGFKMLCSA-N	625.637	6.533	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OCC	409017668	VMFGGTBMJOJRGR-OPEKNORGSA-N	603.638	6.181	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12	409031740	KRVDEAKXXIKTSZ-MMFILIDRSA-N	647.576	9.553	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OS(=O)(=O)c1ccccc1	409069035	UIELWZXZTPCYSP-XDHOZWIPSA-N	588.423	5.230	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccccc1	409161749	PHUIRFDLFFOWBR-BRJLIKDPSA-N	661.075	6.001	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCC	409170701	WURGESBBRSMRTG-LGJNPRDNSA-N	592.261	5.655	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409221259	NQGQZRSRQLJIOE-CAQPMQTCSA-N	528.653	6.119	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1OCC	409225024	NYNQPPAZXVZASK-OJYCWLPVSA-N	600.071	6.681	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	409235671	CTPMQDKZCJZQKK-PPDIBHTLSA-N	632.186	5.446	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	409252693	UREDQBKLUZEWPG-FABQOPTDSA-N	596.112	7.297	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409260905	YJBNSKWZHQGHMH-GZTJUZNOSA-N	619.818	6.046	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)cc1	409267450	VQSWYNCGRPRVLF-WQRHYEAKSA-N	569.253	6.083	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	409309591	JMUPFHMEBYHIOI-MUXKCCDJSA-N	594.833	5.703	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OCc1ccccc1C#N	409315943	WQIZAWGOJJAHKS-QRVIBDJDSA-N	542.376	6.968	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409317196	SKBADUJCBKMKNV-MBTHVWNTSA-N	615.393	5.794	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2Cl)NC(=O)C[C@H]1c1cccc(Br)c1	409317676	RRGMCIALHJLZLH-AWEZNQCLSA-N	555.679	5.576	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)ccc1OCc1ccccc1	409317822	WCNUTURBYFBJHP-FZPRHHONSA-N	633.937	7.156	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OC)c1OCc1ccc(C)cc1	409387954	ZCLVCVHYFSPMQG-MUFRIFMGSA-N	515.591	6.198	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409388952	YKIWFOPBVGJOFH-KKMKTNMSSA-N	596.117	6.115	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)c2C)cc1Br	409393670	YYEMTPBXGAIPOQ-UXHLAJHPSA-N	500.440	6.447	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409394586	CMDSBPRDTITJKT-UHFFFAOYSA-N	845.635	9.620	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)[nH]c12	409394629	CYLXVTUBSRVMMG-UHFFFAOYSA-N	522.004	7.034	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409394695	DSLDBHWMZIOTBO-UHFFFAOYSA-N	759.810	8.161	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396805	BJOVJSDLCKBQIM-UHFFFAOYSA-N	552.518	5.874	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397410	JOJBPMBPQIGAMO-UHFFFAOYSA-N	578.024	7.616	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OCC)c3)c(-c3ccccc3)c2c1	409397675	MQWIBDNCYMTSLZ-UHFFFAOYSA-N	626.507	7.378	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409398105	QOEVSPSPXLHOBP-UHFFFAOYSA-N	577.593	5.954	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(C)=O	409398800	VXPGLHCJECVAJS-UHFFFAOYSA-N	673.463	6.357	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)OC(C)C	409400028	BBGFZRJSSRTNMZ-FZPRHHONSA-N	589.645	5.378	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409404295	PSCLZBISGOMIJP-FIBXFRIOSA-N	658.582	8.653	50	40	KKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)o2)cc1	409410286	UVNPBKAWUQLASW-MNBJERMJSA-N	525.630	7.083	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCc5ccc(Cl)cc5)cc4)ccc32)cc1	606422486	VHJSQNWGQCYXKJ-LJAQVGFWSA-N	538.987	6.365	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	1529548642	KOUHUIOVRJJYAV-GQZAJMAYSA-N	687.616	6.066	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	1529549423	YMTDHAJWQROQKS-JQJFYRLNSA-N	785.342	6.982	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1c(Cl)cccc1Cl	1894974	KTSHMQVJUYEVTP-GZIVZEMBSA-N	503.889	6.033	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	1900465	HBRGXMMODDZPKP-UVHMKAGCSA-N	554.053	5.130	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCC)c(OC)c3)cc2)sc(C)c1C	6167374	QQKNLMNIIJNKTD-PCHPKZPRSA-N	567.664	5.119	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c3ccc(OC(F)F)cc3)c2C)cc1	13096529	PHMOAVOUCUYOIX-OMNSNBSWSA-N	508.521	5.816	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1	20207084	ZINQLUMVOPIPQK-MWAVMZGNSA-N	526.102	6.012	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)cc1COc1ccc(C(=O)OCC(C)C)cc1	97948738	UVAULULBCRDJQR-HKBQPEDESA-N	600.675	6.848	50	40	KKGB	
N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	97968885	ITCDUFMBYYYDHE-QINSGFPZSA-N	612.512	5.913	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	98048678	AMHJQKGLRKFNKA-HKBQPEDESA-N	566.727	6.744	50	40	KKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3CC[C@H](Br)[C@@H](Br)CC[C@H]3[C@@]1(Cl)C2(Cl)Cl	100186611	XRFONNJUMOCNHA-MAOOENQYSA-N	540.765	7.165	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240757	HOVFLCXSRBVHKW-WCMJOSRZSA-N	606.915	6.651	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1	100340251	KLXBTFXSWWBVOP-WPWMEQJKSA-N	536.455	5.338	50	40	KKGB	
O=P(/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1)(NCc1ccccc1)NCc1ccccc1	100439140	XNFKUXZDBDQKOG-VEWQFJOQSA-N	511.591	6.189	50	40	KKGB	
O=C1OC(=O)[C@@H]2[C@H]1[C@H](c1ccc(Br)cc1)N(c1ccc(Cl)cc1Cl)C21C(=O)c2ccccc2C1=O	101071561	FMQCFIUDMIRRCJ-ACRUOGEOSA-N	571.210	5.451	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(F)cc2)cc1	102078555	LXBVYRNRXSFYBD-GFPZRUSRSA-N	526.420	6.506	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)N=C2CCCC(O)=C2[C@@H]1c1ccccc1F	104147285	KKTBZDROLDPPGW-JOCHJYFZSA-N	501.505	6.486	50	40	KKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]([C@H]4C[C@H]3[C@@H](Br)[C@H]4Br)[C@@]1(Cl)C2(Cl)Cl	104255805	SUSUGGDVAULJNM-AYPFUOSKSA-N	524.722	6.241	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	104953822	ITDSAFZSOFLSFX-CXUHLZMHSA-N	520.185	7.020	50	40	KKGB	
CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341702	XXDBLQYJAZZLTI-OAHLLOKOSA-N	706.356	11.255	50	40	KKGB	
O=C1OC(=O)[C@H]2[C@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2c(Br)c(Br)c(Br)c(Br)c21	150428729	BGYCSUWVTBUNEJ-ICQFYHOOSA-N	683.972	6.583	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cc(C)cc(C)c2)cc1OC	150474325	ZQHNOOYLNGXBBN-KVAAJVFYSA-N	643.593	6.381	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(I)cc1	164744222	NJTGKACWJYTEKX-YVLHZVERSA-N	627.693	7.775	50	40	KKGB	
CC1=C(C[Si](C)(C)C)C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2C(=O)N(C(=O)c3ccccc3)[C@H](Cc3ccccc3)[C@H]12	263593492	BHVMHEAMWPWEGB-JIBNBMRDSA-N	575.942	8.209	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540362	QTHMXHSNAOZKDJ-QFEZKATASA-N	603.502	8.104	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2Br)c1	408550787	JXOFJTRLWRIKOE-VXLYETTFSA-N	611.359	7.457	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408569346	NIQURSONFVXYRZ-VVEOGCPPSA-N	597.973	7.242	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2)cc1	408569505	OHYQMDNEZOFNBB-LQKURTRISA-N	521.664	5.020	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1cccc(Cl)c1	408581565	XYFIAAQJHCFAJQ-FRKPEAEDSA-N	523.641	8.061	50	40	KKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c1C	408608998	IXHHHYUMGZRLLE-UVHMKAGCSA-N	514.807	5.387	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408650154	ZOVOWJHASHKWCN-HGJUEJDCSA-N	610.730	5.281	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	408665738	ZJIBEXBGIMIOBI-BFNJWEDLSA-N	678.399	7.777	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408678392	YEBLSSDEKXMLOL-WCMJOSRZSA-N	591.333	7.098	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1	408710641	BIGJHOJOLQKZMN-UVHMKAGCSA-N	550.222	6.092	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1ccccc1C#N	408710946	ZJYIDVRTIMKXKI-IPPBACCNSA-N	542.817	5.724	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2c(O)c(I)cc4ccccc24)cc1)CCCC3	408732845	UDNHRVVCBJOKKN-IBBHUPRXSA-N	634.499	5.862	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1	408744519	FSRCFVSCPTYIQH-XKZIYDEJSA-N	503.385	7.280	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)c1	408744582	GCLRAOPZAYRBNN-ZDLGFXPLSA-N	529.793	6.765	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)cc1	408746820	WECRGIFIEJXSTJ-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	408763454	FKPMFYNDJAKYRN-STZFKDTASA-N	517.810	7.380	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408775026	ZVPITEZNYYWUKO-ITYLOYPMSA-N	538.604	5.167	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1	408788443	DAKKIZUOSAUWDW-FRKPEAEDSA-N	505.760	6.919	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc(F)c3)cc2Br)cc1	408791429	XMVNZSOCFAUDMS-UDWIEESQSA-N	553.384	5.898	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1	408793837	GWEQRSNMGWVGFY-VCHYOVAHSA-N	746.124	6.934	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1	408797459	RSGBAJPVPBYVSP-VCHYOVAHSA-N	588.227	6.262	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408800826	RGYGTIOURIGWDG-CIAFOILYSA-N	586.857	7.085	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408816031	INTYZRGFVUDRBR-RMORIDSASA-N	604.036	5.891	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)c(C)c1	408816301	TWYJHMSOTKREPM-SRZZPIQSSA-N	550.409	6.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(Br)cc1	408821670	KABIJAKVRWQVPW-KOEQRZSOSA-N	617.927	8.205	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	408825908	BIPWTEFJVPZUGX-BIZUNTBRSA-N	546.668	5.450	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Br)cc(Br)c1OCc1ccc(C)cc1	408828271	JIHDVPBGLSIGSS-XODNFHPESA-N	592.353	6.491	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OCC	408829350	PDCLJHHPGNKTBV-GZZLJNBRSA-N	569.683	5.810	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(C)c(C)c2)cc1	408833806	VBNPJNODXYWRAU-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408837077	YQTVEQKYNNSEGJ-YDZHTSKRSA-N	604.446	7.614	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1ccccc1	408838388	FADMNKDDWOSZDL-XZYGTATASA-N	612.107	7.497	50	40	KKGB	
COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc(OC)c1OC	408841320	FHXUDLOGWILUAF-UHFFFAOYSA-N	574.442	5.561	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cc2cc(Br)ccc2o1	408855394	CVVSTDRQLGXMPC-FXMZOFOKSA-N	552.639	7.498	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1	408861274	PTBXJVFRERXEMP-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccc(C)cc2)cc1	408871536	YSLPBXANWHNPJY-AJBULDERSA-N	559.713	5.642	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1Cc1cccc(F)c1	408872424	NCSAUFFWEGRWEA-RQZCQDPDSA-N	544.218	6.496	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	408879961	IAUYUIJCVVIAHP-BHGWPJFGSA-N	572.353	5.441	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1Cc1cc(C)cc(C)c1	408883668	QRMFDEWVFAKRFT-UFFVCSGVSA-N	570.858	7.015	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1C	408889301	BOFBNQWXEIZMAQ-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c(Br)c1	408897192	QOIGYKINVFPMGI-FYJGNVAPSA-N	655.184	8.560	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1cccc(C)c1	408904014	CIFIRQRBDSHVAB-WKIKZPBSSA-N	585.354	5.606	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408951105	LGBOQPQRFXQJCJ-JAIQZWGSSA-N	569.286	7.082	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2cccc3ccccc23)c1C	408954842	ZTNGLSLHHAXSHI-WJOKGBTCSA-N	595.725	5.132	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(F)cc1	408962400	ICDLMQAYKDJTIE-VVEOGCPPSA-N	586.323	6.191	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(I)c2)cc1Cl	408985677	XNWFJGCMHCKZCG-NVMNQCDNSA-N	546.767	6.517	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccccc1Cl	408989690	LHVQZUIECWAVQZ-KMVFSOCUSA-N	576.053	5.029	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccccc1	408991125	MVYWWEQLKOSBHP-CSWGWEJPSA-N	549.634	5.683	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408993007	UMLMLVOPGMYJJZ-ZSYWYLNFSA-N	703.202	7.589	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	408999992	WNLXJOUMESQTCM-KPGMTVGESA-N	566.828	6.882	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12	409012492	IKHNDUSNPORRCM-YIRWIUHWSA-N	530.452	5.604	50	40	KKGB	
O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)o2)cc1	409016317	TVQROZIMLMLEAC-YSURURNPSA-N	579.144	5.522	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)cc2)S(C)(=O)=O)cc1	409027898	VCJWNTVYINLLAS-HNSNBQBZSA-N	605.116	5.396	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409033653	GBNFUGNVJNYBEO-FZKWRIDDSA-N	625.479	7.314	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409033850	MCXHFZQNQCWGRB-AEUUOICLSA-N	734.335	7.326	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409071231	GBTLNQYFEXENEE-HAVVHWLPSA-N	502.592	5.436	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409076595	AWWFOUHTVYWQPB-XSFVSMFZSA-N	567.520	7.087	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1	409092084	SUSCUUOURUZJNI-AWNIVKPZSA-N	633.165	6.274	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(I)cc4)c(Br)c3)cc2c1	409186294	ABDNQFUSBIBSIF-DBFSUHOCSA-N	653.698	7.195	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc(Cl)cc3)c2)cc(OC)c1OC	409218394	FEGKPMIUQXYDDQ-HBLKWRNKSA-N	771.846	7.526	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)NCCCc1ccccc1	409247996	JGFQUQPYXNCRJA-MTJSOVHGSA-N	510.377	6.137	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)c(C)c1	409249724	KJFXOCIMXOWOPK-ODLFYWEKSA-N	549.381	5.537	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409250476	MDCJQZZKDBMDAA-ODLFYWEKSA-N	524.404	6.182	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C	409255000	KBZVHJSSAHTCKW-MBTHVWNTSA-N	524.415	5.246	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)c(C)c1	409261534	DNBJFPZIJNCYAF-YBFXNURJSA-N	572.381	6.648	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409263263	LYSMJKZGTOQHHO-VHFSBPNMSA-N	640.165	7.614	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409266610	QLCIVFPONWGMGJ-QDTIIGTASA-N	636.830	5.341	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409267404	UMTJJQYSLQGCAK-SXGWCWSVSA-N	600.223	5.683	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409311341	ZIYSBOJEUNNGKA-LQNQUEJISA-N	637.936	5.996	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)ccc1OCc1ccccc1	409318834	ZZUQALWJPFQFKQ-BJUCDSOZSA-N	614.323	7.686	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	409363101	JLMYYQCYIRLRFA-DBFSUHOCSA-N	693.150	7.037	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCCC1	409368922	SLLYAVNSEMYIJP-VIZOYTHASA-N	559.085	6.627	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1	409370745	UACCHNDFTTWMNP-PKTZIBPZSA-N	711.568	5.006	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl	409372799	KRGXYCKPLPRBKW-LGJNPRDNSA-N	532.778	5.291	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc2ccccc2c1	409372845	NFPXQWGGYNCDLV-LQNQUEJISA-N	517.969	6.072	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409374355	NHVXDRZZHQLIAD-IUXPMGMMSA-N	543.248	7.592	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OCc1ccccc1Cl	409390996	GPKCOYNOHMWCHK-KPGMTVGESA-N	613.883	6.638	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)c1	409394767	FQGMZGDNDJQHHM-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(C)=O	409394808	GDBBYLNAKMWKFY-UHFFFAOYSA-N	739.804	7.930	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)cc1	409394915	HKNJDXYVFQOSEL-UHFFFAOYSA-N	620.862	7.382	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl	409396003	VBDDMOLPQJOQAD-UHFFFAOYSA-N	829.554	10.074	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)cc1	409396653	ZSUUUYFWINBEFI-UHFFFAOYSA-N	712.769	8.147	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396946	DGSJRFYKMUJGMA-UHFFFAOYSA-N	619.033	7.541	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1cccc(C)c1	409400384	CQLNMUKNOXTQFF-GZOMZLSJSA-N	735.473	8.841	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1cccc(F)c1	409404527	QDUUKMNOXKFTSS-KOKCXWAISA-N	616.089	7.800	50	40	KKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409404724	QTIGXBRRROKQGN-GYJUCFALSA-N	554.474	7.514	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccc2c(c1)OCO2	409408658	KMZCDROQZGWTJS-AEUUOICLSA-N	607.619	5.987	50	40	KKGB	
O=C(CC[C@](F)(Cl)C(F)(F)Br)OC(=O)CC[C@@](F)(Cl)C(F)(F)Br	885164139	KXPLHILFZWAZLT-OCAPTIKFSA-N	520.873	5.401	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccccc2)c(OCC)c1	1529549179	ULXWXFKUZLBSSX-NTQBYPCASA-N	728.609	5.154	50	40	KKGB	
Cc1cccc(C)c1P(c1cccc2c1C1(CC2)CCc2cccc(P(c3c(C)cccc3C)c3c(C)cccc3C)c21)c1c(C)cccc1C	1772768879	BDGNUMNHKBDIGW-UHFFFAOYSA-N	700.887	9.849	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(Br)c1OCc1ccccc1	987171	UCISAYISTODUES-HXUWFJFHSA-N	535.423	5.706	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccc(Cl)cc3)nc12	1271462	DGYGUMIYQIMUMK-DEDYPNTBSA-N	556.825	5.550	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(Br)s1	1479268	WTHYFZQGQXCAJO-BHGWPJFGSA-N	533.864	5.049	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccco1	2201121	ZDKSKEWWRQYASY-DEOSSOPVSA-N	534.037	6.010	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	2224687	YXYQAPXGIXDTDT-RWPZCVJISA-N	534.732	5.599	50	40	KKGB	
CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N/N=c1\cc(C)c2cc3c(cc2o1)OC1(CCCCC1)CC3	8991117	VVMYTSJINVIGEY-NZCOHZFRSA-N	517.626	5.406	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl	59117219	YIXPVNUTIYFXIK-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Br)cc1	59334667	VYDZSHKSBKUZHO-SXGWCWSVSA-N	508.210	5.184	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1cccc2ccccc12	59335743	KDDWQVNDSBJODF-USHMODERSA-N	502.614	7.400	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1cccc(C)c1	59336547	TZBXYKHAMDEHFE-HAHDFKILSA-N	521.444	7.554	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(SCC(=O)N/N=C\c2c3ccccc3cc3ccccc23)n1-c1ccccc1	97959378	GRCNHQGYPAWPEV-WBIBEUCMSA-N	682.591	7.341	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)s2)cc(Cl)c1OCc1cccc2ccccc12	97970290	OAKQBLRYJIZWBM-IWIPYMOSSA-N	567.070	7.639	50	40	KKGB	
C/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)COc1cc(C)c(Br)cc1Br	100030087	LMLDNDHAMUXPAU-JFLMPSFJSA-N	547.247	5.573	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1	100062773	DPROKTZUOUXHLV-ZMFRSBBQSA-N	581.102	6.246	50	40	KKGB	
Cc1cc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)n(-c2ccccc2)n1	100141719	HRXXKPBJXSESIJ-DJZNWEJSSA-N	574.493	6.553	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1	100227853	BIFXBKLVKXUTPZ-MTJSOVHGSA-N	529.805	7.295	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)c1nc2ccccc2s1	100816518	QQMFMXSEZAJCPP-RELWKKBWSA-N	529.643	5.754	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(Cl)c(Cl)c1	100878001	AOGNXEIMSDTTRK-WGARJPEWSA-N	533.531	6.923	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-]	102934446	OGZZHNCJUCMROM-STZFKDTASA-N	528.362	6.635	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12	112254581	LVEYSMVDVRUQRO-AVSYKEHUSA-N	562.629	5.389	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164738048	JOXNOBPLXDIICC-NVNXTCNLSA-N	709.536	7.981	50	40	KKGB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@]2(C[C@H](Br)Cc1ccccc1)[C@]1(C[C@H](Br)Cc2ccccc2)C(=O)[C@]2(C)CC[C@H]1C2(C)C	245239033	DSLHNLQYIWSSJN-KIAVFIRASA-N	696.608	9.802	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc2ccccc12	408534976	XAWPRMPXRDLWLB-PUHLOBNQSA-N	633.408	6.613	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br	408539408	HFFZUIBKLUIHNA-YSMPRRRNSA-N	589.166	7.477	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OS(=O)(=O)c1ccccc1	408580894	FEGZWFPTXHRTQN-XDHOZWIPSA-N	591.423	5.539	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408582389	NPPPRXUTWMZTKD-UDWIEESQSA-N	513.999	5.896	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccccc1Cl	408611015	PLCGDVQSDPQIHU-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)cc1	408647902	VYMUOQOTECEDAW-VPBXCIAMSA-N	716.810	6.030	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408649104	XLEIITSUXDZKIQ-HNNXBMFYSA-N	825.461	7.318	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1ccc(Br)cc1	408684593	PFDLOBDPYXIGLN-VPUSJEBWSA-N	607.298	7.246	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc(Br)c1OCc1ccccc1	408736774	HPHSTIUANROFFC-VNODALHLSA-N	621.532	5.962	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1cccc2ccccc12	408763946	GUIRRGUDLBPMPL-JAIQZWGSSA-N	582.281	8.042	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408789374	PIWQGTRKNDDOIZ-GIJQJNRQSA-N	603.800	6.295	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408792871	BSSKHIJLZRXPOR-YBFXNURJSA-N	545.850	7.569	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(I)cc1	408793275	DRGBMSSENUABDS-WOJGMQOQSA-N	666.253	6.125	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1	408797224	QMNQCJUYSHKTQY-CIAFOILYSA-N	509.389	6.603	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c1	408797885	SXTZCNSZDQRDGS-QGMBQPNBSA-N	703.145	7.944	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(C)c2)cc1	408799480	ZGLJNCYZSRPAPD-HYARGMPZSA-N	519.395	6.059	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c1C	408804398	FLXFYQFSKGRCEO-XQNSMLJCSA-N	511.419	7.344	50	40	KKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408807418	CJKAOBQUSJVUIV-GDPGQWKSSA-N	503.440	6.783	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1cccc2ccccc12	408819403	QQNXIZFVOMSVNP-MYYYXRDXSA-N	571.471	6.812	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1	408820602	XEFDIYNBIKUWHU-ZXSNDDASSA-N	520.032	7.449	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408830982	UHCHQHPZGHCBGC-IURWMYGYSA-N	648.885	5.625	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1	408833533	TWUGFCJVQMZVCY-QCFMCPCVSA-N	577.706	6.261	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839719	VSNQQPJYZMBQOA-PUHLOBNQSA-N	652.947	8.765	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccc(I)cc5)o4)cc3)cs2)cc1	408840104	XOJODIBTTMIODH-OKCVXOCRSA-N	604.473	7.491	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc1	408846626	QVSDWDLMGOYCJD-HWIUFGAZSA-N	517.585	6.653	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408848292	VPTYYKIUEXLUSE-UNEKXOAESA-N	534.528	5.230	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408853833	XZKRPEVDECPYDY-WBIBEUCMSA-N	633.373	8.865	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408860597	ZSLLOPCBSQBGLI-RUMWWMSVSA-N	561.063	5.328	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408869895	SNUYKPOEMXQINP-UXHLAJHPSA-N	556.084	5.266	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1Cc1ccccc1Br	408870091	RTIMAEHRMAIHPN-RGVLZGJSSA-N	601.282	6.816	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Br)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408874410	BDMUTNOIKHZJCM-ACXHZZMFSA-N	643.947	5.484	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OCc1ccc(Cl)cc1	408878743	AQXVMMRMEKWHRE-LPYMAVHISA-N	506.986	5.558	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408880869	LCAZLLSDOLCQFY-GZTJUZNOSA-N	517.390	5.624	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccccc1F	408883597	UBZCVSWQPMDXMZ-WOJGMQOQSA-N	574.244	6.792	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408890556	VOPMSLRCAFZGJJ-WOJGMQOQSA-N	606.816	6.937	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1Oc1ccc([N+](=O)[O-])cn1	408904278	HKLPAHSPIAABBA-MYKKPKGFSA-N	500.309	5.017	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408922763	GZRRXEKIJYGUES-CLAOXVRQSA-N	750.430	6.072	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)c(OC)c1	408947230	AWSABIBDYZGBCI-OLDUKCEXSA-N	699.986	5.719	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc(C(=O)OCC)cc3)ccc3ccccc23)c(OC)c1	408950942	HVWXTKSGJCWMJM-MOMSINOFSA-N	694.741	5.324	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)c(I)c1	408952070	VGCHHFPEHOLEAR-YTTGMZPUSA-N	734.616	5.908	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)c1	408958687	ZWMGMQKXZWKAJG-CLAOXVRQSA-N	705.979	5.963	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1cccc2ccccc12	408963738	AOAUUEZTHYZUIW-BVMLUPFRSA-N	532.369	5.965	50	40	KKGB	
C=CCc1ccccc1OCCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2)cc1OCC	408970826	KUIFODJVSRKWSW-VUTHCHCSSA-N	523.427	5.798	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1	408974045	WJWCZFMTPHXXCL-JLYQEJHHSA-N	634.560	6.535	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)COc4ccc(Cl)cc4Cl)cc3[N+](=O)[O-])sc2c1	408992590	SOGGILWOMSYWPN-KKMKTNMSSA-N	577.471	6.590	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408996375	HXLIHCPMXBXEKY-UXHLAJHPSA-N	522.517	5.139	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	409000134	DVRSPLMVFMXFEB-CHWQPNJWSA-N	626.562	6.449	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1cc2cc(Br)cc(I)c2o1	409014331	XHTIUPRAAGSHFO-MWYAZZEHSA-N	604.025	7.131	50	40	KKGB	
CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)o2)cc1	409020709	SIFOEZNEKBJVAU-OPEKNORGSA-N	577.172	6.026	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2O)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409090713	NXDPHVPDHJBUKW-KKMKTNMSSA-N	585.225	6.045	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1ccc2c(c1)COC2	409128788	GUROZSDVARIAAQ-PNUTTWFGSA-N	615.234	5.533	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)C2=C1CC(C)(C)CC2=O	409128952	SYAAHRJGRPWNJL-RUZDIDTESA-N	640.376	6.045	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	409143955	ORCJHYQXJAZNEM-OAQYLSRUSA-N	555.226	5.477	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409147911	WMYPDGYRFFEABO-KPGMTVGESA-N	688.988	6.081	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)cc2c1	409185308	WQSKFWHUJOALNJ-DBFSUHOCSA-N	517.796	7.135	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(I)cc1	409208260	BQAPXHBKWIDTFG-KKMKTNMSSA-N	645.744	6.537	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409255531	LTDIQJKIFDPCTO-UDWIEESQSA-N	566.427	6.167	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccccc1Cl	409264342	DSDYAHLHJFUWDC-QNVXDBMFSA-N	695.426	8.404	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409270153	CPJBOHUATDJLFW-QDTIIGTASA-N	544.833	5.509	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OCC	409321060	DKNSXFODPSALJB-FDVSRXAVSA-N	571.424	5.296	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409335957	QNLDTRJFQXNDOJ-CNCDYAKUSA-N	593.942	6.795	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1OC	409369014	XIMBMVPIFKYEDC-DBFSUHOCSA-N	645.359	5.123	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccccc1F	409382013	JUJMDUUZVBLBIW-MHWRWJLKSA-N	558.791	5.813	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1cccc(F)c1	409390064	DMOJJVZLWNPITP-IUXPMGMMSA-N	505.156	7.133	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409393195	VLRFDQNBZHRUMR-ICUTVXMZSA-N	593.521	7.862	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)cc1	409395068	JKZSTZCWLHNNHU-UHFFFAOYSA-N	507.977	6.780	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccco1	409396652	ZSTWJPUFKQZNCC-UHFFFAOYSA-N	597.252	7.480	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409399220	YLYFKXBHMUPQGD-UHFFFAOYSA-N	664.114	7.659	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc(F)c1	409405408	TYNWFQAZBNIPPR-UHFFFAOYSA-N	646.513	7.519	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c([N+](=O)[O-])c1	1529548359	DOCLOJAJDLEQJD-RFLOBHFUSA-N	732.613	5.975	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2C#N)c(OCC)c1	1529548776	NSFAIGWTSVEELB-POABAVLKSA-N	706.619	5.183	50	40	KKGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1nn(Cc2ccc(Br)cc2)cc1Br	1089054	HJGMEJPHZZIUEA-OPEKNORGSA-N	528.204	5.079	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3C)=C(C)N2)c(OC)cc1Cl	1263489	MIRXZHPXRDLIOG-GDLZYMKVSA-N	589.117	6.372	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)ccc3O)n2-c2ccc(C)cc2)cc1	2332177	TZXMCDCCPQPOEE-MZJWZYIUSA-N	536.455	5.262	50	40	KKGB	
O=C(c1ccccc1OCc1ccccc1)[C@@H](Br)[C@H](Br)c1ccc(Br)cc1	3129203	ZGISBVXBMLYJKD-RTWAWAEBSA-N	553.088	7.111	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[nH]n1	4112969	IFMPMFNZLAADQE-KBVAKVRCSA-N	512.658	5.944	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl	9187406	DAUIPMUKUYCUDJ-VUVCFOEZSA-N	507.377	6.348	50	40	KKGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	9638674	DQKZJWRVKSOGPV-HEHNFIMWSA-N	514.607	5.392	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1Cl)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	13095564	FMYWSJYSQFLWLD-AMVVHIIESA-N	509.311	6.165	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3cccc(Cl)c3)c2C)c1	20243669	DZJSXSVVWCADKD-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@@H]1c1ccc(Cl)cc1	20347556	FSFZNQPUYRQUGE-QHCPKHFHSA-N	514.434	5.790	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	59856300	MBTFFNNYKMCLJE-VTNSRFBWSA-N	586.928	7.115	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)COc3ccc(-c4cc(-c5ccccc5)c5cc(Br)ccc5n4)cc3)c(Cl)nc2c1	97962737	NRIDUYWMACHKQK-SAEPALGJSA-N	651.948	8.071	50	40	KKGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C/c3sc(N4CCCCC4)nc3-c3cccs3)cc2)cc1	97980847	FLTTTYLDGVOWSZ-NDZAJKAJSA-N	546.718	6.604	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(n1cccc1)=C(C#N)[C@]21C(=O)N(Cc2ccccc2F)c2ccccc21	98008184	IVVSTXSFELNCRI-BHVANESWSA-N	586.642	7.107	50	40	KKGB	
CC(/C=N/NC(=O)CNc1c(Br)cc(Br)cc1Br)=C\c1ccc(C(C)C)cc1	100036151	NDOSVTCZDOPACK-BMVFJUPHSA-N	572.139	6.715	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	100123497	FLLGJYIQFTWQSA-STBIYBPSSA-N	610.490	5.110	50	40	KKGB	
Cc1cccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)c1	100145593	SGOGAKOVTVIPEA-ZCTHSVRISA-N	532.065	6.116	50	40	KKGB	
O=C(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)/N=N/c1ccc(OC(=O)c2ccccc2)cc1	100840666	ZMGYQHZVHVJUCZ-NFSBJWQDSA-N	534.528	5.276	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(Br)c3)nnc2-c2ccc(Cl)cc2)cc1	100852041	PQLSGEMZJZIRFH-WKULSOCRSA-N	600.926	6.000	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Cl)cc3Cl)nc3sc4c(c3c2=O)CCCC4)cc1	100852526	YEHCQMOWJORTNM-DBFSUHOCSA-N	557.528	6.184	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@H]1c1ccccc1Cl	101304973	WMKZPBHBROMMSB-HHHXNRCGSA-N	558.103	6.671	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1ccc(Cl)c(Cl)c1	102016132	WZHZRAZSYZEMRB-KKMKTNMSSA-N	532.474	6.433	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c2)cc1	102245971	QISAIMOLGCKFOP-RDRPBHBLSA-N	557.657	5.174	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	102262809	ZUEATAOSHMGLQV-UYRXBGFRSA-N	572.371	6.284	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2ccccc2Cl)s1)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	150438381	GGBVFJRMICQFOA-DHHFVULLSA-N	625.990	7.759	50	40	KKGB	
CC[C@@H](c1ccc(OC(C)=O)c(C[C@H](Br)CBr)c1)[C@@H](CC)c1ccc(OC(C)=O)c(C[C@H](Br)CBr)c1	150481134	NCWYJFDRKYAOIS-CQJMVLFOSA-N	754.192	8.626	50	40	KKGB	
C[C@]12[C@@H](c3ccccc3)C[C@@](C#N)(O[Si](C)(C)C)[C@]1(C)[C@H](c1ccccc1)C[C@@]2(C#N)O[Si](C)(C)C	169809295	LRHBAWMZMYGFDN-HPSFBBAHSA-N	516.834	7.602	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	408530379	LPSJHRHCCKGLCT-MZJWZYIUSA-N	564.807	5.451	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccc(F)cc1	408543526	PRUHGKGHRAJCHU-VXLYETTFSA-N	506.375	6.733	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2Cl)c1	408549851	AFSQSODXDLBKSI-VXLYETTFSA-N	522.457	7.238	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1	408656511	SSUSCBMGZRIHTQ-IGQFXSRTSA-N	663.577	5.665	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408676236	ANRNHRMCBKTPIR-BQLFOJHWSA-N	601.122	5.329	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408746655	UYDYRMPCPIJKPT-CHHVJCJISA-N	615.536	8.296	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1cccc(F)c1	408762603	LHKFDKAKTCZSAT-JAIQZWGSSA-N	570.256	7.204	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)c2C)c1	408765645	MVUYUKGIOCSRFI-BHGWPJFGSA-N	505.210	5.397	50	40	KKGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408768170	CMIBRGZLEKNPFF-UVHMKAGCSA-N	546.874	5.504	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408771181	DTFUWDBNZRYGGF-IWIPYMOSSA-N	551.406	8.519	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408777548	BUTAQQUZHOZIGV-JWGURIENSA-N	536.857	5.937	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OC	408784796	SUZYKSUTTUUCBK-ATVHPVEESA-N	519.383	5.090	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1cccc(C)c1	408787492	AWPCEVIZXUCHCQ-FYJGNVAPSA-N	568.411	6.132	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1	408794473	SIFAIIGBJMQVIR-WGOQTCKBSA-N	555.030	7.193	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1cccc(C)c1	408796231	ONQSUXOUDZFQLG-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(F)cc1	408797580	SEVXQXIHPDYVDL-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1	408798082	UFNRBWZDHBXBOK-VXLYETTFSA-N	558.245	7.038	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(I)cc1	408799568	ZMXJGTADKAATSY-YBFXNURJSA-N	650.254	6.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1cccc(Cl)c1	408801980	XLXBFNOKJOOUOA-RGVLZGJSSA-N	572.830	6.776	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(I)cc1	408813290	PDJZBDFQGPVKBS-QNGOZBTKSA-N	538.360	6.283	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408827525	KHBCWYLYSMCPIY-XZYGTATASA-N	624.641	5.377	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408832853	RXNZKNGBMMTJHZ-OKCVXOCRSA-N	572.470	5.750	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408834301	VQFTTZISWOOAPX-WSDLNYQXSA-N	764.241	9.073	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccco2)cc1	408840381	YLXQHUUICNCDHK-IBBHUPRXSA-N	622.884	7.146	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1cccc2ccccc12	408840463	BYJKIQOPNRPTDF-ODQASSKESA-N	625.072	7.993	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408841272	FDFWCAIDWVMNAG-VFLNYLIXSA-N	728.781	7.579	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1	408847975	OQUBJARPXITOBD-VHFSBPNMSA-N	781.388	7.734	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc(C)c1	408849586	WWXWOZVNQNHFDK-GKVNEZTPSA-N	578.112	8.156	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2I)cc1	408851572	LHDNUWYPJVWMEN-PPDIBHTLSA-N	666.209	5.683	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc(Br)ccc2o1	408854868	ANUNNPJVCUIPAO-ZRGSRPPYSA-N	620.197	6.051	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408860280	XTJZWYLGSIOJIG-JBFMKSPFSA-N	651.188	7.450	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408862239	XSUMBJZUXRTRHY-LUOAPIJWSA-N	526.189	6.247	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1Cc1ccccc1F	408868635	PEHNTZFGFRZXTI-GIJQJNRQSA-N	560.794	6.537	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1	408871600	ZXFUWTJPCHLFOW-CCVNUDIWSA-N	639.366	5.024	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408875239	IAPQPWWJCNLQJJ-FNTLCPBMSA-N	638.189	7.695	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)cc2)CC1	408876104	MTWSVDIQELIEEA-GOJREDGKSA-N	591.712	5.107	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408879789	FPAGHVUAQFMMFL-LDADJPATSA-N	531.417	6.014	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1F	408881195	MFDYOKOBBVTQNM-VCHYOVAHSA-N	563.345	7.130	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408890394	SKNLWFBAVBUXJK-RGVLZGJSSA-N	556.375	6.180	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)cc(C(C)(C)C)c1O	408890472	UHZJLRLJMBMQRD-HPNXWYHWSA-N	550.699	7.443	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1Cl	408893664	HMAIOIWWEPARJS-RQZCQDPDSA-N	546.794	7.078	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c([N+](=O)[O-])c1	408894044	ILOLAMFNSNUSNY-SFQUDFHCSA-N	522.311	5.131	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2Cl)ccc1Br	408904100	DSRGQLHOEWQJML-ZRGSRPPYSA-N	551.666	6.908	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	408926157	PONVSGHMIVZDGF-BIZUNTBRSA-N	591.089	5.088	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1Cl	408947877	DIYJQSQFMMCJFD-XKZIYDEJSA-N	534.443	6.718	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCc1ccc(Br)cc1	408950034	GHLBFZLZSMPLLG-KIUFUGSVSA-N	611.318	6.308	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)cc(Br)c2OCC(=O)O)cc1	408953555	WPYXDCHQBKOMQF-MNDYBZJGSA-N	658.290	6.047	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1O[C@H](C)c1ccccc1	408970867	LKSMIIBEKHOVSQ-YPKLGXIKSA-N	529.622	5.022	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408973120	ZARHBFMRKPRBDT-XPZZZYAWSA-N	540.447	5.203	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408973442	SIRVJPSWMWFANL-VHNYRUABSA-N	669.403	6.980	50	40	KKGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409039857	WZFBKWLCVNVWKU-NTFVMDSBSA-N	504.384	5.836	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409069740	WBUNLIUZFZXAOZ-UDWIEESQSA-N	527.835	7.509	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(O)cc1	409078461	IEZCJTGWFYPAEO-NTUHNPAUSA-N	515.265	5.853	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409134270	NPTLUXAYNZPIKE-FADJLKOXSA-N	623.562	6.598	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1cccc2ccccc12	409136053	WIBPRLNLCCNHSI-HHHXNRCGSA-N	605.476	6.152	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)cc1	409170028	SMKIBWKYPXGHKO-XAZZYMPDSA-N	697.313	5.278	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409227707	VGAHXFYKMGQFMB-UHFFFAOYSA-N	610.386	6.703	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1	409234467	WXIJXMPSZNUYRP-QHSFOXILSA-N	545.864	7.619	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccccc1Cl	409244074	XFSVTVLGMZOPKK-HMAPJEAMSA-N	539.857	6.346	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409250929	NPRKSYAQTAEQJN-YDZHTSKRSA-N	562.464	5.706	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409263710	MGKXWJWOOYMIPW-JAIQZWGSSA-N	582.882	6.681	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)ccc1OC	409312615	MSSWJMCRBHDHPX-MUXKCCDJSA-N	578.378	5.189	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409366511	VJZYDRXUOYUGRV-PNQUVVCRSA-N	632.713	6.791	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	409371293	GAHHXLDITOXAOP-GRSHGNNSSA-N	513.775	7.053	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OCC)c1OCc1ccc(Cl)cc1	409371854	ACBRCYBMIZCXMN-RHANQZHGSA-N	507.974	5.647	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl	409393033	URMMLRSEKREUSO-IBBHUPRXSA-N	508.405	6.296	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1	409394828	GLHBNQVMSPQBCC-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409395426	NKJGACVKELGZPN-UHFFFAOYSA-N	610.464	6.926	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)cc(OC)c1OC	409395619	PXBHUUWMEWYGLF-UHFFFAOYSA-N	618.473	7.151	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)[nH]c12	409395721	QXYIKQGTFQBKGL-UHFFFAOYSA-N	518.960	6.343	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409399236	YNPNDVNCOPCNAF-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Br)cc4Br)c(Br)c3)o2)cc1	409407275	ZGHRFROYNCIMED-FDUMAKPYSA-N	790.734	9.550	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(O)ccc2ccccc12	2097847	IRQNGXJHGLBBDX-DXRBVMPTSA-N	521.046	5.219	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)c2C)sc2c1CCCC2	2292957	XNBPSFRXNJPKKD-PXLXIMEGSA-N	501.652	6.374	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1	2303605	XECKRJAVZMRPMH-XSFVSMFZSA-N	504.417	7.249	50	40	KKGB	
CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccccc1OC	2312517	AUHUZPAGLABKTJ-DQEYMECFSA-N	515.591	5.188	50	40	KKGB	
COc1ccc(O)c(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)c1	2739006	ARRWPLKZIPLUOJ-AMBXXVILSA-N	552.660	5.378	50	40	KKGB	
O=C(CNc1c(Br)cc(Br)cc1Br)N/N=C/c1cccc(Oc2ccccc2)c1	3150506	XFSYABWVWMURHB-RPPGKUMJSA-N	582.090	6.329	50	40	KKGB	
COc1ccccc1OCCOc1c(Br)cc(/C=N/NC(=O)Nc2ccccc2)cc1OC	4207639	KCGSIABHHSKJAS-WGOQTCKBSA-N	514.376	5.080	50	40	KKGB	
COc1cc(/C=N/NC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccccc1	8496983	VUSKBLFTWQNJGH-JZFGTTBJSA-N	696.396	7.054	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3Cl)[nH]c2c1	25868614	NUKJULCLDTZWKR-APSNUPSMSA-N	503.216	8.128	50	40	KKGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	28213723	ARKPUCJLHOSNKI-UVHMKAGCSA-N	502.423	5.394	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccccc1F	59104337	PTPLJPPNSBKQAS-XYGWBWBKSA-N	509.581	5.889	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	59410737	FLBPETNEWYEWQB-JFLMPSFJSA-N	501.808	5.773	50	40	KKGB	
O=C(NN=C1CCC(=NNC(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccc(-c2ccccc2)cc1	59489074	QKDIAAQOZVFLBP-UHFFFAOYSA-N	500.602	6.466	50	40	KKGB	
CCCCOc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)c1	98000347	NAXBASDHLFQGKG-WJOKGBTCSA-N	582.726	6.581	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@H]3C(c4ccccc4)=NO[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	100011897	PCPWWUPRFBJKIV-PTXOFZBESA-N	613.634	6.821	50	40	KKGB	
FC(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100432927	LASSFECWGDYERA-UWTATZPHSA-N	541.995	6.481	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cc(Br)cc(Br)c1O	100852231	QEBDXOIJTFHELG-HOEBFWFUSA-N	608.790	5.957	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	103843518	IMRDZXMJPSPUPA-XKZIYDEJSA-N	587.474	5.531	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(I)c2)cc1	103887672	ZVMWQMHBXAXNEX-GRSHGNNSSA-N	538.341	5.453	50	40	KKGB	
CCCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC(=O)NCCCOC(C)C	104109927	VHCKCECWGTZTTG-GOTSBHOMSA-N	541.453	7.926	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(I)cc1	104402135	RXTUOPNJJKIUOX-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1	105171005	CRTSDXDTGJCYKM-LDADJPATSA-N	542.227	6.345	50	40	KKGB	
CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341591	UUZGEQOSHVEDNV-ZDUSSCGKSA-N	628.295	9.840	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1cccc2ccccc12	150477693	QMZYBJOGRXZLTK-CIAFOILYSA-N	653.860	7.529	50	40	KKGB	
O=C(Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1S2)NNC(=S)Nc1ccccc1	245229199	QEBFEUMRSIGSBS-YQTLKADXSA-N	557.166	5.233	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)c(C#N)c1C	408546942	PEBRKGINZLEGAH-CNHKJKLMSA-N	648.362	7.481	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1	408567391	DLPJUHWMEGPFDB-RWPZCVJISA-N	557.535	6.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1ccccc1Cl	408567468	NPCUXNHPQNHOIV-OKCVXOCRSA-N	537.841	6.536	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408579590	IGQIXKLKSRBBCJ-RIYZIHGNSA-N	509.267	7.785	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408642840	OAPQXSWYTQIRGZ-SEXKYXSUSA-N	617.121	5.156	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc(N2CCCC2)cc1	408677488	RASHQNMFQDNMGL-LQKURTRISA-N	512.835	6.046	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)O[C@H](C(=O)c3ccccc3)[C@@H](Br)c3ccccc3)c2)c1	408686764	SSWFZUNGGBDDTR-XCZPVHLTSA-N	542.429	6.792	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408710806	LVQPYQNJZFTWLA-KVSWJAHQSA-N	540.216	6.637	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1ccc(I)cc1	408710831	NWRUNPHKEDIMLO-XODNFHPESA-N	643.703	6.457	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc2-c2ccc(-c3ccccc3)cc2)cc1	408724018	CJGKVZUCHXTGFE-XPGZBYHPSA-N	562.673	7.858	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)cc1	408726169	QNYCBHRMKNGBKN-JAIQZWGSSA-N	525.830	6.853	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408742579	AZEVVCSKXXEOIJ-IUXPMGMMSA-N	642.118	7.794	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)c1	408743477	GCKXJNZLABOYAI-UNOMPAQXSA-N	573.228	6.487	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751415	OGWQQVLMNGYESX-LPNNASDXSA-N	518.082	6.808	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC	408753396	MJALWQNBTAEKNJ-MUFRIFMGSA-N	580.507	6.082	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(Br)cc1	408763461	FMMBIAPGWFGGPB-ZDLGFXPLSA-N	682.150	7.340	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1	408792637	BRXXQGMIQQZESJ-VCHYOVAHSA-N	512.349	6.425	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccccc1Cl	408793554	FSTQNPASQUTPSO-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(C)cc1	408794796	JZZRWMNKDNXSCE-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNC(=O)OCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408817300	LEIIQQMNUULSKL-AMVVHIIESA-N	530.408	5.348	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408823591	FKZQDPYLCFCGRY-OEAKJJBVSA-N	695.897	7.565	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408829957	NKJQAIFDFPVVHT-OVVQPSECSA-N	623.934	8.959	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408833894	ZZFJFLCUXMYCCL-NSKAYECMSA-N	598.193	5.924	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(C)c(C)c1	408835674	XWIBKIZEFANINR-CVKSISIWSA-N	587.503	8.323	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408839442	SGDKFKZRFSLDCH-LALXJTNGSA-N	647.200	9.410	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccccc1F	408846421	NHNSLFMMNWIPMR-SGFZWYBVSA-N	587.695	8.062	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)cc3)cs2)cc1	408846976	SAOZQXZLVIGKTM-ATZGPIRCSA-N	689.535	7.718	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	408860439	VQGFJRGPCZLNAQ-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1	408872698	OIUWVVNFIQXEIN-XHLNEMQHSA-N	556.526	5.813	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2cccc(C)c2)cc1	408876306	OLWRPXVEVVXDTN-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408876522	PRLWLMBSKGLTTJ-AIMOZCANSA-N	759.428	8.016	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	408879024	CHEYVQSQPARVNV-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Br)cc1	408879902	HTHVUGCYFMYOFB-LDADJPATSA-N	542.227	6.345	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408883957	XIHJBCLBTNXHDW-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c1OCc1cccc(Cl)c1	408884701	YDRHBEKDWFDUGQ-QGOAFFKASA-N	544.776	6.078	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408885731	FQPMXUYUSCOZFQ-RVDKCFQWSA-N	841.229	8.149	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2ccccc2Br)c1	408887645	QBMAWFUWRBBMDI-WOJGMQOQSA-N	508.328	5.491	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	408896453	RFMRJFKYLMMWEB-GZTJUZNOSA-N	522.311	5.131	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1	408899458	PNNUWBFADYJKDC-XSFVSMFZSA-N	585.476	5.868	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(C(=O)O)cc1	408899883	RLIWTLHIBKARSZ-OQLLNIDSSA-N	553.281	5.302	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1Br	408900997	ZBXACZQWWKRQQV-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408961481	CMDSURFYVGRTHC-MHDJOFBISA-N	525.958	7.109	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1cccc(C)c1	408965425	HHMLADIJGLOOSO-IPPBACCNSA-N	510.363	5.510	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408965951	XYYZILQSIGJLRI-MHDJOFBISA-N	570.409	7.218	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408972132	SMXXGFACYOTHPE-DWSSRSLXSA-N	682.435	7.948	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Cl)cc1	408984441	RBHKKGDUWSJUCZ-ZDLGFXPLSA-N	501.797	7.089	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OC)c1OCc1ccccc1	409014232	HDLIRAKCQPLUHY-FJEPWZHXSA-N	645.291	6.880	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12	409017098	FGSJMEZHAVPLMW-KYHGBAKBSA-N	540.417	6.259	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	409020139	ZMWUWIJNOOOBLO-BBPHXPRPSA-N	545.467	5.114	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409040354	HUSPRSZZCUXOJF-ATZGPIRCSA-N	662.407	8.422	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl	409065903	GGZRIYCOQLYGGX-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409072326	UYXFZCFAIRPTMM-LFIBNONCSA-N	551.835	6.359	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	409209594	GRNLHEWUMWJRAY-BRJLIKDPSA-N	534.819	5.832	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1	409227218	YBXWEBVFUOQYEX-SJGMFTNFSA-N	558.421	6.628	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc2ccccc2c1	409229380	OFQVRBCPJVKWJW-PKAZHMFMSA-N	602.472	6.688	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl	409254318	IHALEWKEWDHRHF-BCHBDCPOSA-N	624.673	5.863	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	409255916	JKOYZOMRAALZHN-QORIIEMTSA-N	500.357	5.215	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)cc1C	409260642	TYFIRGHNMCDNGC-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2Br)cc1Cl	409261811	BQUJAIVYRGBFSE-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409263308	MBCCZJRQMXQMRC-MUXKCCDJSA-N	571.415	5.006	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)CC2=O)cc1	409265917	VAGWECXDIGFBQP-JBTQICLWSA-N	540.447	5.647	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409317470	UBUZSJYMJMKQHN-AEUUOICLSA-N	609.557	7.156	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)ccc1OCc1ccccc1	409319940	NXWPDMOMBBJLGY-WBIBEUCMSA-N	674.389	8.295	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)cc1OCC	409319942	NYDHCEYPXOEADP-LQNQUEJISA-N	568.468	5.726	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C	409321228	GYZPGKVFNARWFK-HAHDFKILSA-N	541.445	7.309	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409321916	IBTVMEGEHWSJPM-ACXHZZMFSA-N	559.497	6.142	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccccc1	409362049	FIIRJLSMCYFJFH-AEUUOICLSA-N	697.501	6.198	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409362772	KCVAXQRVOFFHSX-QDTIIGTASA-N	639.138	6.017	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1	409373916	WHGFIYYEKUYJOR-KCSSXMTESA-N	539.429	7.107	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4ccc5c(c4)OCO5)c3)o2)cc1	409404249	PNOSMFXGVXBERU-HQDYHJHZSA-N	563.610	6.338	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)O	409404338	PWVMJHWJPINDCQ-LPEPFOFCSA-N	644.906	6.308	50	40	KKGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1O	2340311	CVNBDAYPRFKUOF-LQKURTRISA-N	504.015	5.264	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1cccc(Br)c1	2709650	JZFJWVKHPXFZBX-LGJNPRDNSA-N	572.286	5.097	50	40	KKGB	
Cc1ccc(NC(=S)NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(C)c(C)c2)N3)c(C)c1	2793937	AGUBKZSRNPFQBR-PZJWPPBQSA-N	516.593	5.408	50	40	KKGB	
C/C(=N/NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	8398281	JTLLNUKUMBGLRS-YQYKVWLJSA-N	577.062	6.106	50	40	KKGB	
O=C(N/N=C/c1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1O)C(O)(c1ccccc1)c1ccccc1	8843243	ZICQQQXZEJYNGI-NKNPGPOFSA-N	518.495	6.213	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	16688413	SINHUJSGNJMBSO-QQXSKIMKSA-N	526.589	5.323	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(Sc3cccc4ncccc34)c([N+](=O)[O-])c2)cc(OC)c1OC	59523123	MFKRJYPXNMIDGK-RWPZCVJISA-N	518.551	5.084	50	40	KKGB	
COc1ccc(N2C(N)=C(C#N)[C@@H](c3cc(CSc4nc5ccccc5s4)cs3)C3=C2CCCC3=O)cc1	98008231	CJKAZCHLQJRPDN-SANMLTNESA-N	556.738	6.963	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1Cl	100063391	LHOYCYRZZBDXEH-CCVNUDIWSA-N	536.253	6.426	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1	100119078	ARWMXHVCZIQJLG-FQAMYZABSA-N	587.543	6.395	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1)c1ccc2ccccc2c1	101459411	YXQXDSRMYRLXAT-ODAXIHTASA-N	599.275	5.306	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	101555454	VEFZDPXNWFCNSB-GDLZYMKVSA-N	572.130	7.077	50	40	KKGB	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	102634110	ARVQVDZJCBAPMF-YCJOATAUSA-N	581.345	5.587	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	102810121	KFNBUVLKXRPVPP-NDEPHWFRSA-N	561.082	6.803	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)ccc1OCc1cccc2ccccc12	105511381	HGBGIFOZWYQREV-ATZGPIRCSA-N	538.604	5.068	50	40	KKGB	
CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341296	ARVPOVRKBXQPNT-SSDOTTSWSA-N	744.161	10.040	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)c1C#N	164476221	AEPMJFSOUCGXNK-QFDQHJFZSA-N	713.754	5.545	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(Br)c2)c(C#N)c1C	408546975	PUGGCJWYPGXMFB-WLRTZDKTSA-N	552.244	5.357	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)c3ccc4ccccc4c3)cc2I)c1	408549165	QEGLNYQEULKNSS-MSXFZWOLSA-N	627.263	8.001	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1C	408555075	VIGLIUPUTHMDBV-ZDLGFXPLSA-N	573.274	6.936	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)c1	408650345	MIZRWWHYHVXRLU-ZGSAEMGKSA-N	744.820	5.586	50	40	KKGB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408683504	LLQKUXYSVKDPPP-MHORFTMASA-N	662.118	5.064	50	40	KKGB	
O=C(COC(=O)CCCCCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)NNC(=O)c1ccc(Br)cc1	408684004	OBBGUITZXTYTKK-UHFFFAOYSA-N	654.128	5.224	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408753176	IKPWIBGEWVWSHN-LICLKQGHSA-N	653.292	5.684	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc2ccccc12	408760331	WTLBAKFIBVIRNF-ZWDSVTPMSA-N	587.742	5.969	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408762640	PXZJZICKTDBQDY-AMVVHIIESA-N	558.259	7.261	50	40	KKGB	
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C	408771117	FLEPSMUQHUWCAG-KQWNVCNZSA-N	506.444	6.211	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408794115	RMLMTAJVFLPPGN-WOJGMQOQSA-N	601.251	6.643	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)cc1	408796272	NNJMOXYEIOHHCM-OEAKJJBVSA-N	518.997	6.349	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(I)cc2)c(Cl)c1	408796953	PXHRAGOLPBPYND-WOJGMQOQSA-N	563.222	7.031	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccccc1F	408797420	RNWRMEOYNDRHKC-RQZCQDPDSA-N	564.238	7.418	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)c(Cl)c2)cc1	408803736	SXBRMTJTRRJGKE-DEDYPNTBSA-N	525.388	6.303	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1cccc(Cl)c1	408805127	IOAVHYQTQXIQQV-SRZZPIQSSA-N	539.857	7.243	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408814074	PUWUHVORYSGDKA-MFOYZWKCSA-N	519.787	7.309	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1cccc2ccccc12	408822178	ANAYLMBKJOQTJH-MTDXEUNCSA-N	714.987	9.200	50	40	KKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408827224	KMLVLZHJHJXNCI-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC	408830326	NZUJKRAYGDOIKP-XDHOZWIPSA-N	541.829	6.634	50	40	KKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1	408832821	ROVUNGBWRALDEU-ZVHZXABRSA-N	577.895	8.659	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccccc2)cc1	408838790	IMBIIOXALANGNL-KCSSXMTESA-N	554.027	6.790	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1cccc(F)c1	408842914	LVFCHPAZXYNMIJ-KULFSUQXSA-N	679.999	8.850	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(Br)cc1	408843382	FCWSBHONJMWTBE-LGJNPRDNSA-N	528.428	5.796	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5F)cc4)cc3)cs2)cc1	408843637	MNKSTNIZZVEWDL-DPNNOFEESA-N	536.632	7.344	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408848400	WCINXEJSEXMLQI-AMVVHIIESA-N	644.776	7.508	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)c1	408850547	BSPULOZFHIWKER-NVJOKUIPSA-N	576.672	7.263	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408862551	GCYRKDYIWXHIMH-ATZGPIRCSA-N	610.054	5.976	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccccc1	408863044	KJSVTSLAURMJMV-ALQBTCKLSA-N	650.595	6.384	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408871699	ZECUZFWTGNCMTQ-UDWIEESQSA-N	583.382	5.895	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(Cl)cc1Cl	408873277	SDESFUVEXXUNJN-BMWVXGTQSA-N	719.959	7.852	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	408875642	GPMVJBMGSPJZEC-FYJGNVAPSA-N	520.938	7.945	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3Cl)c(OCC)c2)cc1	408876063	MLLFRSPZHBKMSM-FYJGNVAPSA-N	614.867	6.656	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(=O)c3cccc4ccccc34)c(OC)c2)c([N+](=O)[O-])c1	408879491	GLIKAZAQRYTOJY-XDHOZWIPSA-N	602.397	6.293	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc(I)c1	408882109	PXRNOKABVYZJKT-XYOKQWHBSA-N	509.130	6.404	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408882537	OWMFKPBPGHJKLP-ZVDFNDOMSA-N	749.796	5.432	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OC(=O)c1ccc(OC)cc1	408886369	GMZBXOOUMCHUOF-DEDYPNTBSA-N	582.394	5.772	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1	408886948	KJKPADIAMFFUQU-WOJGMQOQSA-N	545.842	6.033	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F	408887094	MAOLTQMTZOATQL-LZYBPNLTSA-N	560.763	6.283	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408887326	POSIVMXXHPKOLG-OPEKNORGSA-N	650.234	5.046	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2)cc1	408896872	ULSHSDDYJNSBLQ-QGOAFFKASA-N	590.293	6.142	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCc2cccc3ccccc23)c(OC)c1	408949624	FUOLRBSPYZPBIU-MPZKYCQLSA-N	652.704	5.156	50	40	KKGB	
CCCOc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1	408970802	KNOMAGKCMWUXSH-ARYYDRAESA-N	542.463	5.427	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)cc1Cl	408992160	QQYQXQNWOYTLOT-HGZFTZBLSA-N	658.161	7.543	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1	408995963	GAHQFTMPGDIDIG-BRJLIKDPSA-N	531.204	5.242	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1	408998266	AVZRMWATVLCGCF-BSSSHPOFSA-N	534.528	5.230	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1cccc2ccccc12	409009546	GCNKWANHKBHDCD-LPEPFOFCSA-N	734.182	8.067	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409010189	AWFBAIDIHYAZRS-TYZJGMEJSA-N	662.445	8.060	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl	409017501	RVAMNDPFOHFCSW-JFFJSXPNSA-N	514.453	6.230	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020206	MRCRYFDAMKBVDS-XZYGTATASA-N	663.556	6.549	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl	409026802	YSQVOVPLAFYGHQ-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc(F)c2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409029966	BBTYBRGRCIFWNK-OHUYPAJKSA-N	601.419	6.988	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OC(C)C	409036309	QXPRPTYIUZHMBI-OCSSWDANSA-N	532.438	6.614	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2Cl)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409040710	UDXNGUDARUYDLN-OHUYPAJKSA-N	617.874	7.503	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1	409041185	JAEYKEPGBDWHLO-VCHYOVAHSA-N	604.682	6.776	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(F)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409042163	WLDLIQRKDRYNID-KCSSXMTESA-N	522.605	7.036	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)cc1	409047889	PXUIYXKMZNARQJ-CAOOACKPSA-N	639.127	7.430	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCc1cccc2ccccc12	409067224	CBCVAAJAMKMPSA-NLRVBDNBSA-N	504.586	6.710	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)c(Br)cc1OCc1cccc2ccccc12	409079565	KZDMJQXRYKGSHZ-MWLSYYOVSA-N	503.396	6.262	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079774	LKYLOOGGMURCFX-RQZCQDPDSA-N	545.901	7.230	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(C)cc1	409191594	IQDYRIPBXLNLCK-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)n1	409222916	YENDWLDUPPGQFC-LUOAPIJWSA-N	589.313	5.312	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccc(Br)cc1	409224051	IPRSPGKBTZMKDN-UHFFFAOYSA-N	606.860	6.347	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OCC)c1OCc1cccc2ccccc12	409237106	IZIIIKDDSQDMOG-KCSSXMTESA-N	540.689	6.195	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)c1	409255609	MJEQVBIPVQURNB-YLYVUXRMSA-N	767.931	9.130	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409260380	POEHIHDIVHAFOG-PBDNOEIWSA-N	606.517	5.667	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	409262235	GEJPIUUJFPWBME-FUSDPXDGSA-N	526.818	5.185	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409264615	LLHBIOVNHSDCPH-CLHYIUPASA-N	633.774	7.659	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409309969	OPYQBPSMFQLKOD-YADHBBJMSA-N	562.475	5.119	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1OCC	409315334	UYXALFCWIQWDLN-DICXZTSXSA-N	542.386	5.498	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)ccc1OC	409319712	KTEWLSYBJDPPDG-MBTHVWNTSA-N	611.898	5.440	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OCC	409320314	AHZKOOIMCUKOSO-LJUMEUDFSA-N	598.494	5.735	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)ccc1OCc1ccccc1	409325223	XYCXIDYSMRZQJM-DLCNMLRHSA-N	583.899	7.967	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409326926	OVIHNTWHJURPDO-UHBFCERESA-N	575.887	6.642	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(Cl)cc1	409355891	FNNYGWGYUAURTE-MFOYZWKCSA-N	538.066	8.162	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409365674	VRODMNDLQURELT-MHWRWJLKSA-N	514.340	5.704	50	40	KKGB	
Cc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)c1	409369589	QDUUPNHZRVPGDU-NUJZUDFISA-N	532.493	5.568	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(Br)cc1	409383854	LLYDYJANRBXVEI-YVLHZVERSA-N	586.227	6.582	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)[nH]c12	409394507	BGMMAFOWVLUISY-UHFFFAOYSA-N	701.755	7.607	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)cc1OCC	409394920	HPCNROVAHHQDPU-UHFFFAOYSA-N	748.472	8.206	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)cc(OC)c1OC	409394923	HQBGMGMXLWJRCK-UHFFFAOYSA-N	801.872	8.039	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395455	NVENUWQIZWLTGD-UHFFFAOYSA-N	601.388	6.628	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(I)cccc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409396676	AAXWMIZSXLTGAU-UHFFFAOYSA-N	703.489	6.365	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397692	MVZGATOVGGEZPD-UHFFFAOYSA-N	609.963	7.638	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)Nc1ccccc1C	409403360	MJWYCDQRGBVUDM-KWQVAVEISA-N	699.602	7.517	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409406406	WPXRZYYWJXGZPD-FZPRHHONSA-N	638.515	6.133	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	1529546778	HMGLJNBMPWJIIF-HBPAGYSFSA-N	761.449	5.584	50	40	KKGB	
CC(C)(C)[Si](C)(C)O[C]1C/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1	1560409999	GSKZXCUNRXAVGU-JYBZDAIYSA-N	569.895	9.055	50	40	KKGB	
CC1(C)c2cccc([C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21	1857795002	FXSQXRAOWAARAD-GKDFLWOBSA-N	583.778	8.015	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	710595	BPXMFXILVIPGTM-DEOSSOPVSA-N	539.444	6.293	50	40	KKGB	
O=C(N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)[C@H]1CC1(c1ccccc1)c1ccccc1	3081145	JFFRZOFTFUGVLY-AIHMMONASA-N	522.517	5.752	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1	9200888	ZTIMLHUUTVQMLO-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
COc1ccc(/C=N\NC(=O)c2cc(-c3ccc(OCc4cccc5ccccc45)cc3)n[nH]2)cc1OC	30735487	LNRWKQJFWQHZSE-MNBJERMJSA-N	506.562	5.590	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1C	58914935	UTVMDHSULIOGTB-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccccc1	59921867	APQRQVYIDDSRLC-MFKUBSTISA-N	500.336	5.033	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1	97962159	ZVINICKUQMKHCI-MXAYSNPKSA-N	518.205	5.416	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)c2C)c1	100081458	CBNPDMIQJSVWBF-UZWMFBFFSA-N	542.705	5.872	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	100096892	JNFASAMCNFLUMN-LJAQVGFWSA-N	538.673	5.964	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)cc1C	100100099	UFHIMOJRMZZXSW-FABQOPTDSA-N	569.547	6.796	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)c(C)c1	100129063	OBDOTJRCTNDDHD-CAQPMQTCSA-N	607.574	5.815	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCc1ccccc1	100188029	ZPYRKCZPJJFGCF-VTNSRFBWSA-N	570.443	5.655	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cc(C)cc(C)c2)cc1OC	100304123	BEVQYPOASNDBRU-ALQBTCKLSA-N	602.757	5.691	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	100458867	SOAZQNYMOHYRES-OPEKNORGSA-N	596.073	5.696	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccccc1C(F)(F)F	100853823	FQNBRZJLSSFBRR-YNFMAFFXSA-N	550.393	6.502	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1	101039737	GEKYBYVAGJLQCZ-YDYXIROLSA-N	552.881	6.476	50	40	KKGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1OC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	101055417	YPGQYEBQUJSOKM-MSXFZWOLSA-N	547.159	5.103	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	102809954	UVVCIOQATLSRBS-MUUNZHRXSA-N	540.645	5.410	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	102933356	OKPACJIYZJSRSE-WOJGMQOQSA-N	526.774	6.444	50	40	KKGB	
CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528531	WJFKIUGCSHLGRF-MRXNPFEDSA-N	570.362	9.740	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	103610140	LTKZCKJEIJOXFU-ZHZULCJRSA-N	541.495	6.388	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(Cl)cc1Cl	103884564	GVYFFXOEKQZKIJ-UQQQWYQISA-N	562.497	6.565	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccccc1	103899937	DMJIHZOFMQOUJD-AJBULDERSA-N	544.677	5.147	50	40	KKGB	
O=C(CCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	104081301	ZNVNXWDBHROORP-RSVUCGLWSA-N	548.643	5.615	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1cccc(Cl)c1	104402208	STGYLNYOIHCBFK-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104699181	PMEFDRGPHYAZKG-DMCPESGGSA-N	547.080	6.848	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)COc4ccccc4OC)cc3[C@@H]3C=CC[C@@H]32)cc1	104699390	IOBCBAODJCEWDY-IURKLUAYSA-N	525.605	5.228	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccnc5)(c5ccccc54)[C@H]3C2=O)cc1Cl	112255768	JLBRYZYRAOBCST-LKANYEMDSA-N	547.014	5.010	50	40	KKGB	
C[C@H](CCC(=O)N/N=C/c1ccc(F)cc1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118917122	LYGIRJHOSGMNLO-TVNOVARMSA-N	512.710	5.683	50	40	KKGB	
O=C1OC(=O)c2cc(Oc3ccc(-c4cc(-c5ccc(Oc6ccc7c(c6)C(=O)OC7=O)cc5)nc(-c5ccccc5)n4)cc3)ccc21	150348046	LPIMWNMMFYINHY-UHFFFAOYSA-N	632.584	7.683	50	40	KKGB	
COc1ccc(N2C(=O)N[C@@](c3ccc(C)cc3)(C(F)(F)F)S/C2=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1	150479271	VUGHUCMCAGWEQP-SKETZCNGSA-N	647.683	5.991	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	150490455	WQRYOBGUDMZYHZ-MWBNBJEGSA-N	641.672	5.426	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	150634499	QXPDFEFTSXMMBM-PXNMLYILSA-N	715.669	6.591	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCc1ccccc1	216044772	BXGVYEFJYHDRTR-NTFVMDSBSA-N	542.417	5.579	50	40	KKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccc(I)c1)[C@@H](C)CC(C)(C)N2C(C)C	223594752	IHXKNZOXQCJKER-HSOLMKNUSA-N	503.428	5.864	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	229854119	IHFQDNXQXWDGJI-BEGWYFQMSA-N	539.013	6.500	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408540088	MXEINWACBVWJRC-UCMJSZAQSA-N	524.617	6.324	50	40	KKGB	
N#C/C(=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408551007	ACPPQRCZKQNXNT-NVNXTCNLSA-N	545.766	6.118	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)c1ccc(Cl)cc1	408580440	PPKOLBLRDACSDA-RQZCQDPDSA-N	521.611	7.647	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1ccc(Cl)cc1	408580940	SMRCPJIUWOKPTE-RQZCQDPDSA-N	521.611	7.647	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(C)cc1	408726739	UZLZQUWTWDQCIP-BKUYFWCQSA-N	538.385	6.123	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408727647	VDRIKQRBHVGRCO-ORBVJSQLSA-N	689.675	5.419	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCc4ccc(Br)cc4)cc3)nn2-c2cccc(C)c2)cc1	408728015	ZDEJEJYUOVLBCQ-QXUDOOCXSA-N	579.498	7.262	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I	408747639	QSXWOEBWWPOMHA-JYRVWZFOSA-N	633.021	5.216	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccccc1Br	408749074	KYTHAECEYSXQPW-BRJLIKDPSA-N	567.075	6.317	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(I)cc1	408751088	WHGIBYLHZLKHFK-ZCTHSVRISA-N	592.433	5.265	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc(C(C)(C)C)c1O	408758860	SPTRKSKFKGWBPE-FABQOPTDSA-N	569.529	7.596	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)cc2)c1	408771401	GLGCQQBWHBOBJM-STZFKDTASA-N	538.385	6.203	50	40	KKGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1ccc(Br)cc1Br	408780790	KOAOGVSUBYRICY-UWVJOHFNSA-N	592.291	6.808	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)cc1	408791739	BTLQXMMDXGOPJN-RGVLZGJSSA-N	631.264	6.273	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408794969	UHHHCPVCYVJJTO-VCHYOVAHSA-N	501.797	7.170	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1cccc2ccccc12	408795729	MKYYQDMHQTYFGY-RGVLZGJSSA-N	582.281	8.042	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(F)cc1	408812005	BWELEDPIAVXOHL-MOSHPQCFSA-N	509.350	6.580	50	40	KKGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408820957	AVTVOXCOXQDCAD-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc(C)cc1	408822072	BCSQZLMPFUKPSI-WGOQTCKBSA-N	678.954	8.355	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408827233	MLGGPAIETBMPMG-YDZHTSKRSA-N	642.366	9.403	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408827976	IFCJWHFOCMYHEW-AVLPFNLUSA-N	602.716	6.488	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	408836310	PWNHQYRYTQPXNP-OEAKJJBVSA-N	729.796	8.419	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838594	GPODPQPJFFMKNG-PUHLOBNQSA-N	788.849	8.825	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5cccc(C(=O)O)c5)c4C)cc3)cs2)cc1	408840151	XZWUUWBQPJIOLX-VTNSRFBWSA-N	549.656	6.732	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408842264	JTVYEKZCMYWPKR-RBWYEQHESA-N	846.406	10.582	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408842349	JDCHHYZOCKKNCN-KVAAJVFYSA-N	628.110	7.775	50	40	KKGB	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408845141	OXHCXWLICVIJLC-UHFFFAOYSA-N	540.453	6.750	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	408847791	RRUBDLITGVERMU-KSEXSDGBSA-N	508.166	5.295	50	40	KKGB	
O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408847884	VQBREEZLCZIMME-NYFJTYIZSA-N	538.854	6.999	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408850667	QNMPNBHPTKPGCO-KALUYTGESA-N	583.664	5.500	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408853875	YYIYZTOZLBLWGF-DBSPGSINSA-N	642.981	8.610	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccccc1Cl	408857073	RZCRUFMPCJDLFJ-DICXZTSXSA-N	501.808	5.773	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1c(C)ccc2ccccc12	408866382	HZOZHOGVFGAMFM-CIAFOILYSA-N	642.415	7.905	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408870818	UTVAJLNKGHVYMI-LQKURTRISA-N	560.286	6.272	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(C)(=O)=O)c1	408873743	WQHZTISQCJQDAW-VVEOGCPPSA-N	675.385	5.277	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1Cc1cccc(F)c1	408874534	DIWBGVWNCNYDEC-VCHYOVAHSA-N	544.339	6.105	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)cc2)CC1	408876170	JQTOQDWCDCEFIN-FADJLKOXSA-N	569.105	6.014	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1ccccc1Br	408879237	BMZIPFYKSZKASW-YBFXNURJSA-N	500.223	7.201	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccc([N+](=O)[O-])cc1	408879699	COQDCKDOIFSVJS-VVEOGCPPSA-N	632.482	6.084	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408888204	TWHOCPKJARIECM-SFQUDFHCSA-N	511.759	5.876	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408892586	CEFNRMWWAPVGPC-WOJGMQOQSA-N	531.417	5.932	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408897055	QDOHUQKWERBSGO-FRKPEAEDSA-N	581.239	7.732	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)ccc1Br	408904016	CIWWIQIAKKAUJG-CPDSRJINSA-N	557.275	7.952	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c(OC)c1	408924086	NQHJVRAAGLTGMY-JRAMAACCSA-N	764.457	6.462	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1cccc(F)c1	408952020	UWTHLKUELRSTSS-YTTGMZPUSA-N	660.768	5.417	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N\NC(=O)c5ccccc5OC)(c5ccccc54)[C@H]3C2=O)cc1	408956717	RNXHTZWTPYKMNA-WPQOJHIBSA-N	585.660	5.451	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCCOCCOc1cccc(C)c1	408971793	LGRJPFWBKDNNQC-VUTHCHCSSA-N	541.442	5.395	50	40	KKGB	
COc1cc(C)c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1C(C)C	408973581	ZABBSTBPCGMNSX-WJHRHOFBSA-N	570.517	6.079	50	40	KKGB	
COc1ccc(Cl)cc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408974432	ZAXWPOABLDVSNM-KZTHHHFKSA-N	548.854	5.301	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408983423	MAGCVCSKGJOFBE-WQRHYEAKSA-N	573.774	6.286	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408984384	QIWVKCWZGDKAPD-NVMNQCDNSA-N	698.682	6.681	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	409001056	GGNVCACRGNJKLR-XSCOCXMISA-N	696.998	5.988	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OCC)c1OCc1ccccc1F	409013226	MMMZIYJRSXXZQN-VWJSQJICSA-N	677.308	7.409	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(Br)cc(Br)c2O)ccc1OCC(=O)Nc1ccc(C)cc1	409016336	RKJAHJAPJWFZHP-PPDIBHTLSA-N	591.256	5.016	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Cl)c1	409030403	DBLITYLFWSFJKT-HQDYHJHZSA-N	540.450	7.860	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1	409044844	DRGCIRXUEHCWLV-WOJGMQOQSA-N	574.244	6.874	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(Cl)cc1Cl	409109245	AHENFTCOWIQJKN-YPXUMCKCSA-N	515.293	7.091	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)C2=C1CC(C)(C)CC2=O	409139835	BTPHGRQUONAKGH-GDLZYMKVSA-N	616.556	6.573	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)C2=C1CC(C)(C)CC2=O	409139840	BTPHGRQUONAKGH-LJAQVGFWSA-N	616.556	6.573	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	409171322	ZFXDQPDXTHRGFU-WKULSOCRSA-N	563.279	6.594	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	409180560	ZXTLKASXJHNUOL-OPEKNORGSA-N	706.072	5.909	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1	409183547	CXKJZTBAYCECIE-VFLNYLIXSA-N	561.929	6.690	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12)c1cccc([N+](=O)[O-])c1	409184538	XYTDVMDMVJHGFG-VJJHSDPTSA-N	621.993	5.123	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)cc2c1	409187680	TTYFMFIZRDCLGD-DBFSUHOCSA-N	606.698	7.353	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409190859	XDFQBPNQWDHWTD-IPPBACCNSA-N	503.813	6.727	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409219100	IXVVUTIFCHEMOH-WOJGMQOQSA-N	536.382	5.035	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc1	409223851	IXNYWSUBCSIRNS-WNYFKVBNSA-N	627.451	6.301	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cc2OC)cc1	409225708	OBMLXVAPPWZIEV-UHFFFAOYSA-N	591.542	5.958	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2I)c1	409249112	SGDIMYYIQHFMQP-ODLFYWEKSA-N	562.329	6.743	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409253422	BIQZSFWZNDPWTJ-XKZIYDEJSA-N	653.473	5.657	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409259763	DYUKNFJCSOIIJJ-MUXKCCDJSA-N	544.833	5.591	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)ccc1OC	409304904	TUSPQTGXFHTTBY-CPDSRJINSA-N	551.854	6.796	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C#N)[C@H]1c1cccc(Br)c1	409315114	HVCAQVHYUATWID-RTBURBONSA-N	602.816	5.231	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409315583	JGTCOKNMCCDWMF-CPDSRJINSA-N	604.885	5.608	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1OCC	409324076	RXLXHCPSKKGGDE-NTFVMDSBSA-N	574.415	5.440	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)ccc1OCc1ccccc1	409332256	KUPXMVYQNCFROI-DBSPGSINSA-N	595.095	7.822	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OC	409334726	MTHKJTSISBQSQN-ZMGVVAQMSA-N	679.939	6.231	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(I)cc1	409368134	TWHYOUYWUXHLLE-WQRHYEAKSA-N	561.173	6.605	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1cccc([N+](=O)[O-])c1	409371831	QCTWZSZMXOJALN-XKZIYDEJSA-N	532.337	6.996	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395566	PBTFMQFCNSERHG-UHFFFAOYSA-N	562.840	7.778	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)cc(OC)c1OC	409395995	UZAHBUVWWBUHFU-UHFFFAOYSA-N	732.385	7.240	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)[nH]c12	409396019	VIZCQYWIISEJIZ-UHFFFAOYSA-N	577.637	6.406	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1O[C@@H](C)C(=O)OCC	409400627	DUSZFUMEZWCYDJ-JMFBUSPXSA-N	599.684	6.098	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4)c(Br)c3)o2)cc1	409405335	SVMOIJUNATWOAQ-AEUUOICLSA-N	632.942	8.025	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3cccc([N+](=O)[O-])c3)o2)cc1	409406583	XEVGICDJLLKPFD-OHUYPAJKSA-N	609.595	6.425	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409409361	ODGLQWDPFSXILF-GLJXUZQSSA-N	656.135	7.700	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409409781	RBRIAONLRCMBDU-QXUDOOCXSA-N	547.611	6.558	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(C)c2)c(Br)c1	1529546121	CZQQDGPFIDHULE-DMFIQNIRSA-N	686.028	5.875	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc(OC)c1OC(=O)c1ccccc1	985876	SFWDAFMEIGMOIU-SANMLTNESA-N	550.615	5.730	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl	1097689	UVWMPYBNXRVCEL-JOCHJYFZSA-N	528.859	5.903	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	2323571	VCRBSEPAYHGZNX-IPPBACCNSA-N	508.347	5.245	50	40	KKGB	
Cc1cc(Br)c(/N=C(\S)P(=O)(c2ccccc2)c2ccccc2)c(Br)c1Cl	2561320	MDCAYBGRIDOQJG-UHFFFAOYSA-N	543.648	7.105	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	4016892	RPECXBYLDCYIEV-FTVRNHIYSA-N	512.613	5.980	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	4048151	INDBPULSIXDSCZ-YSUFFMFVSA-N	523.998	6.744	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)s1	8914043	TUJRRDBNXSZXRG-RWPZCVJISA-N	520.014	5.024	50	40	KKGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1	9007952	YPWOOIUOFYQNRK-DICXZTSXSA-N	504.487	6.202	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1Cl	13371828	OJPPLSLLBFOILD-KGENOOAVSA-N	517.810	7.380	50	40	KKGB	
CCCCCCCCCCOC(=O)C[N+](C)(C)CCSSCC[N+](C)(C)CC(=O)OCCCCCCCCCC	59087360	YDGAHNRVBHRAKE-UHFFFAOYSA-N	607.024	7.888	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1	59485138	VBOZXKILKDGSJG-ODLFYWEKSA-N	513.775	7.053	50	40	KKGB	
O=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	97964222	DFQWYNYZSBZGAJ-USKNDPDESA-N	554.002	5.286	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(Br)c(Br)c1O	97964227	VPAFWVUCEAYEGQ-RGOXNLHMSA-N	630.337	5.303	50	40	KKGB	
C[C@@H]1CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c3cc(OC(=O)c4ccccc4)cc1c32	100121950	UKJAZFAFJOEYEB-UAIZEJDJSA-N	559.578	5.017	50	40	KKGB	
CCOc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3[C@H]2C(=C(C#N)C#N)C2CC2)c(OCC)c1	100838086	XCYIDOKEMFZAQO-BBACVFHCSA-N	555.678	7.230	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\C(Br)=C\c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852189	GGVNDHQGYVGGTP-SLTHAPGXSA-N	588.575	7.170	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1	100989454	KWRGMXJMBZTUJJ-JSIHEXFSSA-N	549.406	5.422	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)c1	101052256	BDXBQJJDNYPETK-AJSVUVGVSA-N	547.287	6.193	50	40	KKGB	
COc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C(=O)O)cc2)NC(C)=C1C(=O)Nc1ccccc1C	101087319	JRBCXURJNPMXPN-MUUNZHRXSA-N	568.655	5.408	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3c(C)cccc3CC)=C(C#N)[C@@H]2c2ccco2)cc1	102760599	QCTKTWGTOCXCJI-MUUNZHRXSA-N	584.698	6.034	50	40	KKGB	
COc1ccc2cc(/C(C)=N/NC(=O)c3ccc(N/N=C(\C)c4ccc5cc(OC)ccc5c4)cc3)ccc2c1	102978760	ZUIFVBHJJBZFJY-TWOPAUOSSA-N	530.628	7.000	50	40	KKGB	
Cc1c(OCC(=O)N/N=C\c2ccc(N(CCCl)CCCl)cc2)ccc2c(=O)c3ccccc3oc12	104246094	PTCAOBAXRSYQKK-UHBFCERESA-N	526.420	5.068	50	40	KKGB	
COc1cccc(/N=N/C(=N\NC(=O)c2cc(Br)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2OC)c1	104316824	GGCOMEPMRIUEQP-QEEVISEHSA-N	604.465	5.681	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1Cl	112264509	SATHUTRELNDGHC-CCVNUDIWSA-N	562.835	5.842	50	40	KKGB	
BrCCCn1c2ccccc2c2c1c1c3ccccc3n(CCCBr)c1c1c3ccccc3n(CCCBr)c21	150368712	YUGIRSWKDAJFSN-UHFFFAOYSA-N	708.336	10.365	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccccc1	150464196	UAXZMUPETVNCGG-DPNNOFEESA-N	653.113	5.498	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(I)cc2)c2ccc(C)cc2)cc1Br	211029426	GIXQRTMQYIZLJM-WPWMEQJKSA-N	656.340	5.106	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552963	SWQPFLSNJNIABO-YBFXNURJSA-N	524.404	6.182	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCc1ccccc1Cl	408599781	ZRRLGAXLHHEOLH-GRSHGNNSSA-N	550.223	7.640	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408735854	YNWDHQQOPJUPQR-RQZCQDPDSA-N	640.646	6.674	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1Br	408738885	WTFSJWQCSBGLRX-PSVUBMJASA-N	628.321	5.689	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	408750255	YROQJORCGYVQFZ-WYMPLXKRSA-N	533.176	5.463	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408750658	PZKOEKYNLWESHF-ZMGVVAQMSA-N	732.312	5.590	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1	408793421	FJQPMHDANPJWDP-LFVJCYFKSA-N	527.418	7.126	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c(C)c1	408799646	ZYOGWPYBSJQOBO-BUVRLJJBSA-N	511.419	7.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1c(C)ccc2ccccc12	408804841	ZPTBRMMJEDLVHY-LPYMAVHISA-N	586.442	7.342	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1Cl	408809719	IQQGFTZGNULXGS-ACCUITESSA-N	504.757	6.706	50	40	KKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408819813	UCSWDXOZEVSTGV-IAUZIZESSA-N	532.276	6.392	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(C(F)(F)F)c2)c2cccc(Cl)c2)cc1	408822725	UEXGCSJYLJJVDB-MUXKCCDJSA-N	509.937	5.013	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408827163	KKFBJEUJGUGRSC-JCMHNJIXSA-N	610.519	6.840	50	40	KKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	408838081	BZCMHDRCMWZXNT-IPPBACCNSA-N	525.461	7.332	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cn(Cc5cccc(F)c5)c5ccccc45)cc3)cs2)cc1	408838697	HFKXMMJGIXHHMI-MWBNBJEGSA-N	559.670	7.768	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(Sc5ccccc5)o4)cc3)cs2)cc1	408839131	NNZBSOCXCZXAQD-STBIYBPSSA-N	510.644	7.370	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408840408	BFAHAOBJQKJVJL-ODNPBWNPSA-N	642.133	7.506	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1	408843661	MPYTXBZFIRWHDC-KVAAJVFYSA-N	646.950	7.861	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(Cl)c(Cl)c1	408845019	PYMOHSDTNSEGLB-HBHSWBPBSA-N	623.484	7.883	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408875935	HYTNACKEYSQYOP-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OC(=O)c1ccccc1	408890599	WHAYITGGNAFJBR-LDADJPATSA-N	570.237	6.294	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OS(=O)(=O)c1ccccc1	408892454	ZMGQTQROIBKBNF-NBVRZTHBSA-N	527.396	5.161	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1cc(C)cc(C)c1	408896216	QMAHMXQAMNZEQV-LPYMAVHISA-N	552.412	6.431	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1OS(=O)(=O)c1ccc(C)cc1	408897706	ZLKSHFVLBFAIFL-FMFFXOCNSA-N	580.747	6.155	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1	408905304	WVNTZHYIKGHXRO-PPDIBHTLSA-N	581.692	6.917	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C#N	408969015	FUZNTDIORXMBSY-XACOCEOJSA-N	659.570	6.488	50	40	KKGB	
C=CCc1ccccc1OCCOc1c(Br)cc(/C=N/NC(=O)Nc2ccccc2)cc1OCC	408971832	QSZNYVYPHQHCIF-VUTHCHCSSA-N	538.442	6.190	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc(OC)c1OC	408997924	PFGSGYRAWRZZMQ-WCMJOSRZSA-N	622.428	5.303	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCc1ccccc1C#N	409009961	AQQPGYXWWGTKJW-PNQUVVCRSA-N	709.132	6.786	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cc2cc(Br)cc(I)c2o1	409013185	MBOKJPYBFBFAFV-VPUKRXIYSA-N	674.167	7.283	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1ccccc1F	409052593	KZRPTAKMWSRQDY-XODNFHPESA-N	566.798	6.134	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409080540	FETYMLOGXNIXOG-LUOAPIJWSA-N	625.111	5.975	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)OCO3	409096508	KLYYDUIVFDYJKK-QFIPXVFZSA-N	590.655	6.391	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2cccc(Cl)c2)cc1	409136238	RYUPQNHJKIYMPX-KBVAKVRCSA-N	569.058	5.241	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccccc1F	409138523	DCOQCANFWSTDBW-QHCPKHFHSA-N	511.347	5.490	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(Cl)cc5)(c5ccccc54)[C@@H]3C2=O)cc1	409145161	MWFQQBAFMMCBIO-FPAGQXQCSA-N	604.106	6.024	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-]	409220340	XGLZOXUDXFSWJX-FXOVVZCRSA-N	603.418	6.537	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccccc2)c1	409249377	HOPZBLJAUZTSES-ZMFRSBBQSA-N	545.231	5.301	50	40	KKGB	
CCCOc1cc(Br)c(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	409360614	BIBFZMYOXNXIIH-LJUMEUDFSA-N	593.547	7.576	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1Cl	409365751	RTKMHQCEELDRQM-FDVSRXAVSA-N	517.409	5.681	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12	409373468	WLAVQRAOUCCQCU-VULFUBBASA-N	509.347	5.067	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccccc1	409395745	RFNXUNFCZLSIAQ-UHFFFAOYSA-N	528.395	7.125	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(I)cccc4c3-c3ccccc3Cl)cc2OC)cc1	409396778	BBTRUWDMLBHVRF-UHFFFAOYSA-N	679.898	7.093	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Br)cc4c3-c3ccccc3)cc2OC)cc1OCC	409397738	NJGKWQPANLNKLG-UHFFFAOYSA-N	656.533	7.387	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409399021	XKZJDGCZODHNDG-UHFFFAOYSA-N	662.924	7.260	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3cccc4ccccc34)o2)cc1	409402399	KATIFBBXESOXNG-KDHRXPGNSA-N	612.730	7.828	50	40	KKGB	
CC[N+]1=C(/C=C/c2ccc([C@H](Br)[C@H](Br)c3ccc(OC)cc3)cc2)C(C)(C)c2ccccc21	605822543	GZENMWNQKLXGBG-GSJKRKJNSA-N	568.373	8.377	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1	2080857	YZOQNWXONFHMSF-HNSNBQBZSA-N	557.437	6.780	50	40	KKGB	
COc1ccc(-c2nc(Nc3ccccn3)sc2CCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	2141177	MWSBLTUDDMOOQO-FDAWAROLSA-N	568.615	6.208	50	40	KKGB	
COc1cc(/C=C2\CC[C@@H](C)C3=C(c4cc(OC)c(OC)c(OC)c4)C(C#N)=C(N)O[C@@H]32)cc(OC)c1OC	5844794	BIYWMOLCMUADFB-VXHWQCQTSA-N	534.609	5.098	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	8398282	UAYLMNUYPUIYOG-DPNNOFEESA-N	701.983	6.334	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1	9427669	CFOXALLTRPHDFB-AHCSBEPMSA-N	525.630	5.545	50	40	KKGB	
CCOc1ccc(NC(=O)CS/C(Nc2ccc(C)cc2)=C(\C#N)c2nc3ccccc3s2)cc1	12311596	INQALTOUKXRJKS-XTCLZLMSSA-N	500.649	6.680	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	14134912	MTSLMGIDBGBQCO-JFLMPSFJSA-N	501.808	5.773	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc(F)c1	59336242	WIZIQGDZSKCMHR-PXNMLYILSA-N	505.760	6.919	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccccc1	59401574	VQMAUUSLKVLQRA-OCSSWDANSA-N	518.038	5.246	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	97960835	RUGJAJXXKDQNPX-KVSWJAHQSA-N	548.220	6.854	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4ccccc4)cc3)cc2)CC1	97962825	YPDYDYFMTSHAAA-PPFNPFNJSA-N	548.643	5.001	50	40	KKGB	
O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	97985241	YECFRWXWESBTGQ-UHFFFAOYSA-N	541.507	5.140	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1Cl	100062886	XVFRYFZLHVFJIU-MUXKCCDJSA-N	580.704	6.536	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)cc1C	100124650	XPZDPISKTGBVHQ-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Br)cc1	100227462	LCXHHLCACHSPHC-NDENLUEZSA-N	617.281	6.886	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)Cc2ccccc2)cc1OC	100303906	FEEJJSTWRDAKQF-APTWKGOFSA-N	588.730	5.069	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2cc(Cl)ccc2OC)cc1OC	100304139	OXVNEIRBWMBHGB-DPNNOFEESA-N	625.147	5.427	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccccc3F)Nc3ccc(Br)cc3[C@@H]2[C@@H]1Cl	102070537	ZGQBLUUGPANQGY-IRFILORWSA-N	533.850	7.535	50	40	KKGB	
CCC(=O)N(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1	102782218	PFOJDPVKBVOLBM-UHFFFAOYSA-N	600.888	9.648	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	102933179	PCKBAJBXMUTFIM-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C\c1ccc(N(CCCl)CCCl)cc1F)c1ccccc1	104115973	GJYYQHKPPJXFDL-FDVSRXAVSA-N	563.309	6.968	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccc(Cl)cc1	104580499	IBNCOUBFGTUMGE-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
CCOC(=O)c1c(NC(=O)C(Cl)Cl)sc2c1[C@]1(C)CC[C@@H]3c4ccc(OC)cc4CC[C@@H]3[C@@H]1C2	108238168	RLXPMEFDXSZYBY-ZPHSEUKWSA-N	522.494	6.246	50	40	KKGB	biogenic
FC(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341994	NZKFGTULCMWSKI-UWTATZPHSA-N	842.037	10.293	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342133	NFOZMVHPQPMLGB-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
CCCCSc1ccc2n(c1)cc(-c1ccc(/C=N\NC(=O)c3ccc(C(=O)N/N=C\c4ccc(-c5cn6cc(SCCCC)ccc6[n+]5C)cc4)cc3)cc1)[n+]2C	150421083	GAIHETCWQJBXHL-BIQUTSLPSA-P	809.078	8.487	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795310	RPPYLFHZJAFBAV-HTQZYQBOSA-N	802.060	9.871	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	197499616	JNRNLKPXNZZPFF-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
O=C1OC(=O)[C@@H]2[C@@H]1[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1	226562892	WNUANDQWZMRUQR-ZSRGRNNSSA-N	551.425	6.692	50	40	KKGB	
O=C1[C@H]([C@@H](Br)[C@]2(Br)C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1	245239576	KOMNALVZOLETHI-ZRLKGHKBSA-N	732.345	6.218	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1	408537590	FYSZLZOSYYHYCB-MTDXEUNCSA-N	553.058	7.120	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OC	408540711	VIIFULCQSBDOKA-COEJQBHMSA-N	525.487	7.043	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408543618	PJXXSVQXVVGLIW-ZDLGFXPLSA-N	542.304	5.253	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1Cl	408555615	YFSBJXZGKYAQLC-OQLLNIDSSA-N	579.665	6.972	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408566937	BRJJGHOMBUKELU-BRJLIKDPSA-N	569.955	6.854	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1cccc(C)c1	408569257	MOBJTEUISQKZCO-OKCVXOCRSA-N	601.588	6.743	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408570784	YMQTVLDTTGOCDX-JAIQZWGSSA-N	522.407	7.779	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)c1ccc(Br)cc1	408578960	CAGYCMVCOLQVHQ-WOJGMQOQSA-N	503.621	7.508	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408643992	GQRSPRHRDOTENF-UEXGIBASSA-N	539.818	5.545	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408650156	ZOVOWJHASHKWCN-XDWAVFMPSA-N	610.730	5.281	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1	408676839	ALAGPWURFSGYIS-YMZMPRNQSA-N	614.707	5.177	50	40	KKGB	
COc1ccc(N(Cc2ccc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1	408721098	CTPMLLIMHAXSIG-NJZRLIGZSA-N	548.064	5.898	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	408730963	IAYRQGLMPSDHNN-SGFZWYBVSA-N	617.665	7.338	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408743425	ACHUCHYIQYEMPY-SXGWCWSVSA-N	553.325	5.921	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OCc1ccccc1	408759589	HPAMYIIGBLRNKN-WQRHYEAKSA-N	636.227	6.029	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408787658	DGCDGVYKXQGOQW-OEAKJJBVSA-N	683.315	7.896	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1c(Cl)cccc1Cl	408788244	CWUCBJGVZIFICM-YVLHZVERSA-N	593.248	7.040	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1	408791132	UOCRXSJKEMSJTJ-YBFXNURJSA-N	513.352	6.434	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1cccc(C)c1	408793540	FREZAZYXXHLSIC-LPYMAVHISA-N	596.421	5.910	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1	408794604	JUGJLTBBQCTECC-OVVQPSECSA-N	548.595	6.487	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1C#N	408799039	XUODYHGPNMVDGQ-JVWAILMASA-N	564.041	7.314	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)c(C)c1	408809363	HKZPAABRLBWYJY-ZMOGYAJESA-N	533.466	7.206	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1F	408814592	GBAFYOGAWQZSHI-MTJSOVHGSA-N	539.401	5.798	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1cccc(Cl)c1	408824500	QPDHNWYQHAHCNG-CVKSISIWSA-N	631.954	8.513	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)o2)cc1	408825412	CXFFEKDKPRPAHY-UQQQWYQISA-N	574.102	6.795	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OC	408828149	LQEKSNAECRIRCW-XDHOZWIPSA-N	541.829	6.634	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408830668	NYLSQGHQGIZFQZ-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl	408832776	JAJQTTIBJVEALX-YBFXNURJSA-N	515.824	7.559	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3c(C)ccc4ccccc34)c(OC)c2)c(OC)cc1Cl	408836392	QUADZWFSUVFPAA-SRZZPIQSSA-N	668.915	7.557	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1cccc(Cl)c1	408836401	QVJFCNWZXMREIT-BUVRLJJBSA-N	559.449	7.706	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408839407	RQTRZMUGKFLGTL-AMVVHIIESA-N	557.890	7.843	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1	408851384	JQIJHCHAFULKOK-PPDIBHTLSA-N	562.645	6.954	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1Cl	408858449	PFULTKPXWUWPPZ-GATIEOLUSA-N	501.720	5.659	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408873055	MMCOKMSUXFDTOA-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1Cc1ccccc1Cl	408875214	HKJJWTMIVLYKNY-VCHYOVAHSA-N	530.249	7.209	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2)S(C)(=O)=O)cc1C	408875904	HUKMFDPWNSHTIC-FMFFXOCNSA-N	584.698	5.051	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c([N+](=O)[O-])c1	408881226	MHMXSARCFOKPPI-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	408883527	QCUGLNMOGBUIJL-HIWRWHBISA-N	618.461	5.906	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408896937	PATVIGVCEGZZJW-MZJWZYIUSA-N	651.504	5.150	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(Br)c1OCc1cccc2ccccc12	408926853	ZNOVZOVHVHENNB-SVYXRYDESA-N	731.600	5.919	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc3ccccc3c2)cc1Br	408942658	GMFFFXJSYGCNSJ-XIFFEERXSA-N	717.642	6.075	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccccc3Cl)cc2Br)c(OC)c1	408949071	DRSJYJPYXYXORV-LOMSXHPKSA-N	715.985	5.419	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1cccc(Cl)c1	408949461	QZEVJKFNFBHZNJ-HHHXNRCGSA-N	797.897	6.171	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408953040	LITAUOZDIRJNEC-RRTTYDMDSA-N	577.419	5.454	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1	408954720	ZOEFGNPWCPOIQN-MHZLTWQESA-N	716.998	5.475	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1	408973779	VAGGSSVHCUVWBH-MKWJPVCQSA-N	624.576	6.104	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c2ccccc2)cc1	408979331	MMWNEHHJDSIWPK-LSVGHWCNSA-N	667.813	7.022	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)cc1Cl	408981890	DKPAIWDMMCJERS-NHDPSOOVSA-N	566.282	8.342	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1	408983296	LGGCIMFFHRJRCV-XKZIYDEJSA-N	521.842	7.264	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007013	MFFLCSRMGZMMJD-QJOVZPHJSA-N	586.132	6.988	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(Br)cc2)cc(OC)c1OC	409007626	YJVDYMOYDDUCHC-BFHREJTJSA-N	659.489	6.077	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1ccccc1OCc1ccccc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028292	LEAMFSLZULAXQF-HZVFOSPQSA-N	543.645	5.363	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(C)cc1	409045939	QEEDCAIVUUGQFQ-FZKWRIDDSA-N	580.482	7.324	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(Cl)cc5Cl)(c5ccccc54)[C@@H]3C2=O)cc1Cl	409046565	RNVSDBDTMYXJQL-UDPYEHJDSA-N	614.916	6.922	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1	409049056	VRGWXOQBRXFDCD-VIZOYTHASA-N	510.179	7.564	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409067216	BYTHHBOKPRYPHA-XQNSMLJCSA-N	513.550	5.855	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409068876	JXKXGLLYNYTSJY-MHWRWJLKSA-N	653.838	5.565	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCc1cccc(Cl)c1	409074294	SVGPJVUDPRUZPS-OEAKJJBVSA-N	516.981	5.988	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409077466	FGZIYKMDDPRNSG-OVCLIPMQSA-N	536.293	7.567	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409150511	CIZLOAJPKIKNCL-XAZZYMPDSA-N	683.330	5.665	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1ccc(Cl)c(Cl)c1	409154974	PCQHPUIUMAPZBO-IPBVOBEMSA-N	554.217	5.407	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)cc1	409158080	XNQVNSJWNPBQAL-XAZZYMPDSA-N	652.329	5.660	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)cc2c1	409187690	TWKOAURAPRAQKL-MBTHVWNTSA-N	523.383	5.946	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409192657	DKVGUYSWJDIVKM-UNOMPAQXSA-N	526.431	5.140	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1	409195439	UMRCDMWMDHIMIL-XNTDXEJSSA-N	537.388	6.384	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(OC)cc3)c2)cc1OCC	409217779	BPMMPHMJPHMWJF-UHFFFAOYSA-N	739.417	7.253	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409223015	FAZZJGYBAVOKGG-UHFFFAOYSA-N	611.246	6.040	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	409228219	WBGZGELOYANNHF-FPJJECCMSA-N	584.308	6.974	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409258832	XVCKDMDHVACPFQ-DBFSUHOCSA-N	579.278	6.244	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409258892	WAFMJXLAOGKAEH-KBKYJPHKSA-N	597.647	6.125	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	409262272	GKSNISQCWWWWLW-KFTQWTFOSA-N	544.808	5.324	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)ccc4OCC(=O)Nc4cc(C)ccc4C)cc3)cs2)cc1	409269636	KZIHSYRVUVHHRL-VHFSBPNMSA-N	668.617	8.023	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OC	409312312	KLKIPRCFJSOBMN-MNDYBZJGSA-N	542.419	5.657	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)ccc1OC	409323153	NZMYNBWGXODVNS-ZRGSRPPYSA-N	549.323	5.773	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409369066	ZWGDYUQSCYKXOF-KVSWJAHQSA-N	565.251	6.066	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(OC)c1	409372089	FKDZAAHLOJQUPE-MUFRIFMGSA-N	566.395	5.805	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(-c3cc(Br)ccc3Br)o2)cc1	409374058	XCLYRXLJPOVHKK-KSEXSDGBSA-N	505.166	5.194	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br	409377003	DXNXVHFFISBEBY-SFQUDFHCSA-N	540.801	5.674	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409384601	DSDRYXVWDJKXLQ-KKMKTNMSSA-N	539.953	5.513	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)[nH]c12	409394979	IINIAHDKBRCAJD-UHFFFAOYSA-N	671.729	7.598	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395981	UUKVHKGLJHXFEZ-UHFFFAOYSA-N	664.843	6.984	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(Cl)c(Cl)c1	409406121	WAYUNEGYSYDHNO-KOKCXWAISA-N	632.544	8.315	50	40	KKGB	
COc1ccc(-n2cccc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409408759	LLBPACQQKBRPRD-DXJNIWACSA-N	508.578	5.829	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2)N[C@@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl	1826149	RIVOCWVLNAQVDC-HWBMXIPRSA-N	578.037	5.945	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1cccc(Br)c1	3115148	WZQWOTGDWZPWOZ-KKMKTNMSSA-N	596.659	5.622	50	40	KKGB	
CC(C)Oc1c(I)cc(I)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	4067170	SPTCUAQWPQCZIE-NTUHNPAUSA-N	555.157	5.623	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(C(C)C)cc3)cc2)sc2c1CCCC2	6166993	JEFQSZSZROLENK-AMBXXVILSA-N	561.704	6.097	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(OC)c3)NC3=C2C(=O)CC(C)(C)C3)cc1	9014842	KACOTXYAPNQVPH-RUZDIDTESA-N	503.624	5.141	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OCc1ccccc1	13658349	ZLEFRZDQJSDCSH-MTJSOVHGSA-N	503.421	7.224	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NC[C@@H]1CCCO1	16701122	YHTNTCUBDOPMCW-HONNWAMPSA-N	522.580	5.460	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	59473570	MGEUSIUPLNVLIM-KBVAKVRCSA-N	521.469	7.629	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C(F)(F)F)cc3)nnc2-c2ccc(C)cc2)cc1	97939467	QNVDRVBPMJZKSB-MNDYBZJGSA-N	525.556	5.513	50	40	KKGB	
CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1	97940431	JGGKJFTZTZCHNL-UHFFFAOYSA-N	535.666	5.053	50	40	KKGB	
COC(=O)c1c(NC(=S)NNC(=O)[C@H](C)Oc2ccc(Br)cc2Cl)sc(C)c1-c1ccccc1	97948589	VQTGGEHCKYIDIK-LBPRGKRZSA-N	582.929	5.711	50	40	KKGB	
CCOc1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OCc4cccc5ccccc45)c(OCC)c3)sc2c1	97964265	LXGIPUOKETYTLZ-LFVJCYFKSA-N	549.652	7.372	50	40	KKGB	
COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1	97965801	NKRJGZMJTZLWNJ-FYJGNVAPSA-N	545.064	6.769	50	40	KKGB	
COc1cc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc(Br)c1O	98048426	MYEWJAHICZAANA-HNNXBMFYSA-N	520.836	5.345	50	40	KKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5)c(OC)c4)CC(=O)N3C2)cc1	98048427	BIMUBQVSXKZZRS-HHHXNRCGSA-N	539.701	6.836	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(CC)cc3)=C(C)N2)sc2c1CCCC2	98048639	CCZRAAWXWYLTFI-NDEPHWFRSA-N	630.792	6.666	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl	100127657	OMHIEWQIXSIGOD-KBVAKVRCSA-N	585.513	6.110	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)ccc1O	100224111	OULWBTWXLUSFIT-BIZUNTBRSA-N	578.090	5.912	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc2ccccc2nc1Cl)S(=O)(=O)c1ccc(C)cc1	100287874	WONXZHOGNANCIM-WKULSOCRSA-N	557.459	5.204	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303538	NLXZORVKTVTCRO-WCMJOSRZSA-N	602.496	5.925	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NC1CCCC1	100398265	SXZBFRCPSPORRS-CPDSRJINSA-N	611.935	5.140	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1cc(Br)ccc1O	100852822	DUKGJEUJOMNCAH-BHGWPJFGSA-N	545.509	5.694	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	100869507	MEJTUPQTWVEIHW-AEPTXUNZSA-N	528.848	6.712	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1	100994326	FOQBTOXLNYYSIV-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
CCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	101136903	QBPLFEYVFBVKKU-SEXKYXSUSA-N	529.269	5.240	50	40	KKGB	
COc1ccccc1CNC(=O)CS/C(Nc1ccc(C)c(C)c1)=C(\C#N)c1nc2ccccc2s1	102995964	BNARESHNFRYNOK-HPNDGRJYSA-N	514.676	6.276	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(C)c1	103890484	CRPOSBHWCLNAJO-ODLFYWEKSA-N	560.275	7.588	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccccc1Cl	104804908	ZRHUVLLBFDWWSS-KKMKTNMSSA-N	560.857	6.074	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	118918308	ZODHPXNJFNZLJV-NKOPFAFLSA-N	597.722	9.946	50	40	KKGB	
FC(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342216	QVFMOVHDRZMVNI-REOHCLBHSA-N	742.023	9.022	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795397	UNBBRCDUBWSDON-ZIAGYGMSSA-N	686.194	9.670	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)oc12	208465961	AKMXUZYFWANQSZ-KKMKTNMSSA-N	516.823	6.253	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CCc2ccccc2)c2ccc(C)cc2)cc1Br	211029748	MJIUFUNKJCQCDA-VFCFBJKWSA-N	558.498	5.086	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C1/C(=O)Nc2ccc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253497791	UKBJVLJEAXCAFE-CLEJLTFESA-N	570.174	5.519	50	40	KKGB	
Cc1ccc(NC(=O)c2ccc([Si](C)(C)O[Si](C)(C)c3ccc(C(=O)Nc4ccc(C)cc4)cc3)cc2)cc1	253566355	IVGGOJJQNOOFBQ-UHFFFAOYSA-N	552.823	6.349	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	408537935	IGGFJNBQJKKLOI-BUVRLJJBSA-N	593.001	8.071	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(C(=O)OCC)c1C	408546357	IAUBACSTHKWCOL-MHWRWJLKSA-N	556.980	5.950	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408550266	CELOJEDADAMMHZ-LGUSAWBASA-N	634.539	6.953	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408569177	ZHWXKJFGWWVMGD-CHHVJCJISA-N	561.636	7.524	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c(C)n1-c1ccc(Br)cc1	408590794	QMUJUAXMCFOAQB-BRJLIKDPSA-N	551.226	5.023	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1	408640655	BIIWYNXUHVMBKO-ZGSAEMGKSA-N	764.876	5.434	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)cc1OC	408724246	IUYFEDDAVWCVAQ-RUMWWMSVSA-N	502.574	5.987	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3cccc(OCC)c3)c2-c2ccccc2)cc1	408742460	OZSDSIASXQPYHX-QUPMIFSKSA-N	553.662	8.154	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1	408743330	FUUTXGBNJMGCDM-GRSHGNNSSA-N	506.942	5.601	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2I)c1	408745042	OWUYJTRRTGDEHW-JAIQZWGSSA-N	634.255	6.637	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408749016	JYCYASJDBJYDRN-DHRITJCHSA-N	512.454	5.880	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	408750222	YFYYOIGGRLJUSM-BRJLIKDPSA-N	542.238	5.596	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1Br	408771097	CGEJKHRPUIKQDN-PXNMLYILSA-N	568.092	8.170	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1cccc(F)c1	408791595	ZGAGRHQUIABBTF-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(O)cc1	408793096	NIUPWFNMFHQALL-CIAFOILYSA-N	625.260	7.037	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(Cl)cc1	408796372	XZUNMYPBVNFZPS-FYJGNVAPSA-N	503.942	6.110	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)cc1	408798724	WUDPWCJNBMHTDH-VCHYOVAHSA-N	542.227	6.350	50	40	KKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408808702	NAMCQFBFLCAQOJ-XHLNEMQHSA-N	524.620	7.852	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc(C)c(C)c1	408823162	DYGLAKDDPVOEEV-WPWMEQJKSA-N	553.058	7.669	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408823823	FJGKBPPBSCMKPX-WGOQTCKBSA-N	689.506	7.610	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1	408824134	HDRWBCUGEVUISN-ZVHZXABRSA-N	622.346	8.768	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408824587	IGISJABOFXRXOM-LFVJCYFKSA-N	570.001	6.960	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1	408824807	AAKRETNBWRWLEP-MZJWZYIUSA-N	564.889	5.074	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC	408833510	SUAULGUMLYFWDV-OVCLIPMQSA-N	523.811	5.853	50	40	KKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)c2C)c1	408840115	XPUXFOWSXSKWLK-DPNNOFEESA-N	563.683	6.820	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408840155	YAJJVDPMXAVKTG-VFLNYLIXSA-N	681.781	7.737	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(I)cc1	408847146	PMFZXUNZVWPOGV-MUXKCCDJSA-N	619.253	6.542	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)cc(C)c1OCc1ccc(Br)cc1	408851655	LRPDJQFNKQXWPB-ATZGPIRCSA-N	590.587	7.757	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(Br)cc1OCc1ccc(Br)cc1	408853626	VHWXXNHVEDIHTB-KBVAKVRCSA-N	596.319	7.035	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408855685	GHOQJZYDNAWREP-RMORIDSASA-N	538.901	6.699	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1	408855759	DDJVUOMDCUZDNS-URGPHPNLSA-N	537.682	5.261	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1c(C)cc(C)cc1C	408855864	GCKZMJFDIXIYBJ-ICLYNSGKSA-N	584.138	5.546	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408857100	JMQWSMSPOYQVIQ-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	408861281	BLHAEWFEZZSVFX-MUFRIFMGSA-N	544.073	5.037	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408863749	PMRPILRBEUOURE-KCSSXMTESA-N	611.507	5.357	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)c(OC)c1	408866689	HXIQGPZYWPZOGP-RGVLZGJSSA-N	541.829	5.922	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1OC	408876356	LAHIUXPDTYOOBT-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)c1	408882116	LFVXHSNFFZVESY-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1cccc2ccccc12	408887064	NPPLSKYLMQJLIE-FYJGNVAPSA-N	512.949	6.325	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccccc1	408887330	PQAZVZRXZAHAQW-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408887477	OSNMEFCVYDBAGV-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OC(=O)c1ccc(Cl)cc1	408887902	RYRBJDMXWVPXOG-GZTJUZNOSA-N	604.682	6.947	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1ccc(Cl)cc1	408891227	NEGWHZYKZAXUSJ-XODNFHPESA-N	596.703	6.615	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2Cl)cc1	408896397	QWQXLHYOEPZJQZ-LICLKQGHSA-N	546.388	5.832	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408898108	UOSRBLFQXVUDBI-RPPGKUMJSA-N	593.774	5.639	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1cccc2ccccc12	408904403	IZDDWRJSQKQRRN-APTWKGOFSA-N	549.583	6.964	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905085	SVEONUOTHWPCDW-RAWMCFOBSA-N	573.743	6.008	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408905409	YKPLCDFNOMATIS-KYHGBAKBSA-N	581.654	6.705	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)c1OCc1ccc(Cl)cc1Cl	408927050	ZIYFYFYSSODDHY-WOJGMQOQSA-N	501.797	7.089	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cccc(I)c1	408927273	ZZTHDENHKNELSS-RWPZCVJISA-N	540.788	6.441	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1	408951369	TVYOPOULGFVVIQ-MHZLTWQESA-N	750.897	6.329	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCC(=O)Nc1ccccc1	408951669	UVDNNBZPMAWAOY-NUJZUDFISA-N	662.278	5.980	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1F	408965654	WXEUPMWRUAZYJF-XKJRVUDJSA-N	525.296	5.959	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	408971625	KMNBURXPQLZPBR-RUWVDLEPSA-N	696.462	8.257	50	40	KKGB	
CCCCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408972770	XASRHLMUIYLJSI-KMLHPGETSA-N	679.439	6.979	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccccc1Cl	408973063	YDUIXUPIQVEWOJ-KUUZMIQBSA-N	675.053	7.802	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)c(I)c1	408981443	BIIGMZNBKYNJTG-WQRHYEAKSA-N	546.767	6.517	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)c1ccccc1	408981962	WTQRQHKLODTMPG-MIHYEXDHSA-N	544.435	5.909	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)NN(c1ccccc1)c1ccccc1	409004982	YPEPGGJEWUMGFF-QFIPXVFZSA-N	699.327	5.907	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409010209	BFYLCLXGGFYVQH-BFQYMOCPSA-N	757.542	9.043	50	40	KKGB	
O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cc2cc(Br)cc(I)c2o1	409010899	GEHSKENYJQLUSS-JAZWXOFISA-N	540.111	5.137	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409042201	WRZCRQGPVAUHBF-XICOUIIWSA-N	552.590	7.306	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	409047942	NUNBAHYQUHRTJK-OKCVXOCRSA-N	626.520	7.028	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)Cc2ccc(Cl)cc2Cl)cc1	409059781	OJBDDZZXHIQDEQ-OKCVXOCRSA-N	540.472	5.796	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081265	NHYUELWPBUOAEJ-MHWRWJLKSA-N	576.325	7.113	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc2ccccc12	409182115	IYZAEWLAKROVBX-VVEOGCPPSA-N	607.129	8.015	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(C)c(Cl)c2)cc1	409184600	HDGTUTVYERSYMI-FABQOPTDSA-N	639.561	5.973	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)c1cccc(Cl)c1	409191086	SDVNPLIVOPLNDE-KBKYJPHKSA-N	547.811	6.255	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(Cl)cc1	409193392	JVSBPSJPVHETLI-YPXUMCKCSA-N	591.514	7.515	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)NC1CCCC1	409195122	TYHIXVWINYKQIZ-SXGWCWSVSA-N	630.118	6.361	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409219462	MWWVXQKLPXRVHC-YBFXNURJSA-N	534.956	5.519	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1	409223813	IGEPWSAIYQJFRO-UHFFFAOYSA-N	507.546	5.239	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)c2)cc1OCC	409225574	RCVXAWXOOHBPEC-UHFFFAOYSA-N	626.622	5.636	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccccc1	409228462	AJUZLGGRFNPILV-HBEGMLAUSA-N	548.437	5.650	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1	409247991	FMFDTPZHSLUYTA-CXUHLZMHSA-N	623.223	6.794	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1	409249700	KHLZNSLCDIWQOM-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)c1	409254856	JDZNXQPLRRSQMY-YVLHZVERSA-N	603.698	6.737	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409259622	BOODHUGAFIQZBS-YBFXNURJSA-N	597.409	5.185	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1	409270510	QFYDUTHJDFPGIB-RGVLZGJSSA-N	583.280	5.761	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(C)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409311265	ZAOHADNSUPPKPX-FCHUYYIVSA-N	576.502	5.427	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)ccc1OC	409323145	NWQFPHSCMHQQEH-FDVSRXAVSA-N	545.405	5.737	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Br)cc1	409361102	PZYGQYYGDXSKEW-IPPBACCNSA-N	617.135	7.470	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(I)cc4)c(I)c3)[nH]c2c1	409374439	PREZZNRCUMGXNT-WQRHYEAKSA-N	617.228	6.724	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccccc1F	409387235	ORWSXHKBXJNXIP-QNVXDBMFSA-N	634.520	7.781	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397937	PQLMHJIHWMTKRM-UHFFFAOYSA-N	700.895	8.270	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)O	409399438	ITPPINDCJIUNLR-CPDSRJINSA-N	551.983	5.155	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)o2)cc1	409407380	FOAYFPPBASRORK-BPYUFLDPSA-N	604.619	6.557	50	40	KKGB	
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c1	2223047	GMOYVZYYXVKRDL-VWLOTQADSA-N	538.069	5.794	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(=O)c1cccc2ccccc12	2276774	LZOWVMDDJYVUFL-FDAWAROLSA-N	505.530	5.795	50	40	KKGB	
Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)c1	2356775	MGMBGBIFXWSVSY-BDPHVXEFSA-N	508.430	6.367	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	2799343	PTKWBMLLOGQJDU-MHZLTWQESA-N	547.442	6.683	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc2ccccc2c1	3059810	ATHZDXIKNDWVQH-AUEPDCJTSA-N	541.037	5.656	50	40	KKGB	
O=C(CNc1cc(Br)c(Br)cc1Br)N/N=C/C=C/c1ccccc1	3086814	WKCKGIAECFBZAY-RPOCDWGESA-N	516.031	5.201	50	40	KKGB	
COc1ccccc1NCc1nnc(SCC(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)n1-c1ccc(Cl)cc1Cl	8397078	LDCQHWMOXKVVRG-ADJDCTSUSA-N	726.484	7.779	50	40	KKGB	
O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)cc1	22022856	OGHZXMZGBNXEIE-UHFFFAOYSA-N	526.640	6.390	50	40	KKGB	
Cc1ccsc1/C=N/NC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2	22824115	FGFRLCDHVSJZDV-QRWPUEPVSA-N	501.456	5.452	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl	28216960	ICKCKZHEJNKCCN-WCMJOSRZSA-N	522.501	7.598	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2ccc(Cc3ccccc3)cc2)cs1	96400873	HATOUVAWSQDWLQ-ANYBSYGZSA-N	520.661	8.318	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OCc1ccccc1	97964237	CQSCRDTVEHKSFB-AGFCUZODSA-N	548.643	5.261	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)Cc2ccccc2)cc1	100350477	WQYKNIWRXPYHMG-MNBJERMJSA-N	609.546	5.206	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1	100405773	XRGNEVQQOQIRLQ-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)c(O)c1	100853320	VRHSJMMTQDNETI-OCSSWDANSA-N	549.100	5.690	50	40	KKGB	
Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)c1C	100904901	GJFZUBQKRYAREP-XSFVSMFZSA-N	536.407	5.205	50	40	KKGB	
CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1ccccc1Sc1ccc2c3c(cccc13)C(=O)OC2=O	101140781	RCDLHDVGEUGMHE-CJLVFECKSA-N	519.582	6.329	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(S[C@H](C(=O)c2ccccc2)C(C)C)=C(C#N)[C@@H]1c1ccccc1OC	102579028	APSOVDLAHNGTRJ-DHIFEGFHSA-N	552.696	6.732	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1Cl	103868721	VLZCESCMZPRCJP-XFFZJAGNSA-N	528.642	7.699	50	40	KKGB	
CCCCCCCCCCCCCCCCCCNC(=O)Cc1ccc(N(CCCl)CCCl)cc1	104154794	DZOWDCMVZWHRRO-UHFFFAOYSA-N	527.665	8.891	50	40	KKGB	
O=C(CSc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccccc2F)c(Br)c1	108788547	WJJWADIGFJNVHB-WKULSOCRSA-N	523.427	6.563	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	162477812	CHDAHBFIQLVVEY-MWBNBJEGSA-N	717.038	6.361	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164697193	FPNNXMKEZYWHHU-STZFKDTASA-N	662.753	6.542	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795256	CUJYVGKVAYEFKL-RFZPGFLSSA-N	759.979	8.700	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795456	KELOXZVGGXGIJH-HDICACEKSA-N	742.302	11.230	50	40	KKGB	
C=C1/C(=C/CP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	195852966	MDDUHVRJJAFRAU-BVBVCFNGSA-N	582.914	9.058	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1c(F)cccc1Cl	207058928	GVUPTFCKLHUDRR-VXLYETTFSA-N	508.933	5.409	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	390822928	NMIFFCWRXGCURO-RTCYBROUSA-N	518.855	7.804	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539423	HJPSVOPTUVHSNJ-WGOQTCKBSA-N	556.456	7.688	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccc(C(=O)O)cc1	408542047	JPRFYPRKEQJSSJ-LSCVHKIXSA-N	652.182	6.145	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1cccc(C(=O)O)c1	408542684	NCGKHKZUPHIBHP-UNOMPAQXSA-N	524.314	5.114	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)c(C#N)c1C	408547120	RIODUYAPRRZBLB-RGVLZGJSSA-N	518.566	5.550	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408550658	GBGQYIIFQNCYHE-NVNXTCNLSA-N	654.142	7.090	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408551069	ASPPMXOHWGYQCI-OQLLNIDSSA-N	535.214	6.863	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408569315	NDWCABQVYFQNQA-JFLMPSFJSA-N	539.635	5.190	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408641940	LMAIMJVDLDWOPP-DKLJTFSYSA-N	645.175	5.934	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc(N2CCCC2)cc1	408675762	AFWJSCYTRBQNNH-ZCTHSVRISA-N	528.450	6.545	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC(=O)N/N=C/c2cc(OCC)c(OCc3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1	408731767	MXKHRAHSASUMMC-UHQZYLKYSA-N	698.689	5.449	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408732866	UFVLTCRMIZRCRC-BVMLUPFRSA-N	573.472	6.112	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1	408745764	VIFJHHQJPXWBIA-NVMNQCDNSA-N	600.263	6.464	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408746872	XAFXVUSCOCYUOF-MFOYZWKCSA-N	609.247	6.740	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OCc1ccccc1	408761010	BRJSQERWSOAFSV-HYARGMPZSA-N	560.391	6.578	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(I)cc3)cc2)cc1	408763986	VHSYTIBQVGHWRM-JXAWBTAJSA-N	524.314	5.065	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(F)cc1	408790254	OLAKTLNTNMDUAL-LICLKQGHSA-N	544.320	5.269	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1ccccc1	408790793	YUCXKXSQDGYFNR-FYJGNVAPSA-N	535.394	5.759	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408790905	RXQPZJYDFRJENN-RQZCQDPDSA-N	517.796	6.876	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408793214	DHVGGRIVAPEPNH-YBFXNURJSA-N	584.366	5.218	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(I)c2)cc1	408794811	JHIQZVSKFNSMGQ-YBFXNURJSA-N	556.331	5.342	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1	408797363	RJSMFKICRONPOU-CAOOACKPSA-N	625.663	7.279	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408800884	RRVSHVVFXKKYDY-BUVRLJJBSA-N	555.030	7.112	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1	408807363	CBUYXWIJKLXALQ-BKUYFWCQSA-N	504.417	6.537	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408812791	PNIMROKPFIWMGN-YDZHTSKRSA-N	566.439	6.740	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c1Cl	408820671	ZFGJRBXAJIGVIO-LFIBNONCSA-N	544.391	5.747	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1C	408838623	YKVOTLGKWLKZNW-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1C#N	408843214	CRAXFANGTMZOQK-UHBFCERESA-N	514.379	6.138	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408847659	UAUXKJGROMQLPD-OEPDXVHDSA-N	702.185	7.523	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1	408848315	VTXMEIPLOKIINW-XJECJHNESA-N	660.977	8.169	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(I)c2)cc1	408853974	USCHDHLJAFPNRB-ZXSNDDASSA-N	611.483	7.400	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408855296	BZMJRXOHRRMWGJ-KCSSXMTESA-N	623.529	5.086	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2cccc(C(F)(F)F)c2)cc1	408859833	UAEWVADMTPDMSA-MWBNBJEGSA-N	616.061	6.592	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(C)c(Cl)c2)cc1	408864098	SSHQKJCINKSOSW-KCSSXMTESA-N	607.088	5.790	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1Cc1ccccc1Br	408867827	MDCAXHYPWBEDGO-CIAFOILYSA-N	615.309	7.206	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408878326	AJBPPPRAABZCDF-NTEUORMPSA-N	529.292	6.156	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3cccc(F)c3)c(OC)c2)cc1	408880280	FXBREUYMTZVBBJ-VCHYOVAHSA-N	542.348	5.584	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3Br)c(OCC)c2)cc1	408881798	KPXXQQGZJAYXKL-FYJGNVAPSA-N	659.318	6.766	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408885887	GKDQVIJVEYMXOY-UVHMKAGCSA-N	601.504	6.187	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1cc(C)cc(C)c1	408891756	UUJPHOMWLVLGNH-WSDLNYQXSA-N	509.433	7.442	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(=O)c3cccc4ccccc34)c(OCC)c2)cc1	408898535	WOZFPHACTGTBAP-XQNSMLJCSA-N	613.464	6.943	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)c1	408924058	NFSURXGOQQXVSR-AIEHZXCGSA-N	736.403	5.682	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCC(=O)Nc1ccccc1	408965811	MHDVXCBHCPZXFL-CCVNUDIWSA-N	581.379	5.284	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCc1ccccc1C#N	408971929	MCYYRIQPWITYHO-IPPBACCNSA-N	534.366	5.427	50	40	KKGB	
CCCCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408974473	ZMAPEZGXKLOOEV-YOCRSQMJSA-N	601.369	6.383	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2ccccc2)cc1	408979648	NQESZGOULDSZNB-JBIOKXMTSA-N	556.471	6.122	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1	408996943	KPIBHRDYNGPKPX-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c2ccccc2cc2ccccc12	409029127	WOHDJVCHGNLWMR-KCSSXMTESA-N	562.478	6.645	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409035084	ITWPQZMUTOBANN-QLQYKETESA-N	586.489	8.160	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)c1	409040163	FSDATDBDHKTHDY-WOJGMQOQSA-N	513.903	6.230	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1	409047064	MLXSECKYRBZCBG-VCHYOVAHSA-N	503.621	7.508	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	409062754	AHLORTAHHBQIJO-CJLVFECKSA-N	518.591	5.054	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409088169	FBHCPMCRSRSBOV-NVJOKUIPSA-N	603.671	6.993	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2cccc3ccccc23)c(Br)c1	409140133	DWDXNYALWRHYOS-VWLOTQADSA-N	501.380	5.996	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C(F)(F)F)c(OCC)c2)cc1	409159298	SIFCZAFOISSKGS-XJECJHNESA-N	679.490	6.152	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)c1ccccc1	409190000	PNJPPFUCIWKKPD-BRJLIKDPSA-N	513.366	5.602	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409200077	GOBIIIIMCMCBKY-RPPGKUMJSA-N	520.394	5.732	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409208137	BFJNTXFGHRUNRE-IUXPMGMMSA-N	626.163	6.586	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409220429	ZFFSHFSLXRIDPV-UHFFFAOYSA-N	710.291	6.084	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)/C=C/c1ccccc1	409222536	DXEHWCGWZCIMMJ-KGPHZMIESA-N	564.554	5.238	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409222762	CGDSQBYJXOCKRO-UDWIEESQSA-N	534.410	5.638	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409240648	USVKWZDFABSTFA-YPXUMCKCSA-N	539.872	5.884	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Br)cc1	409242940	PVQLLOBNKKGHOJ-MFOYZWKCSA-N	610.224	7.364	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1F	409244450	CVWOBSOQEKUCDC-QLTNSANVSA-N	523.402	6.350	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4)cc3)CC2=O)cc1	409258935	YISFCBUILYZUDZ-KBEKLNEQSA-N	520.427	5.094	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1cccc(C)c1C	409259101	XLFOAKHAUVHLBB-MBTHVWNTSA-N	524.415	5.246	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409263485	HEGFVIWLUUBLPG-ZDLGFXPLSA-N	631.854	5.833	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409269062	DLTLWNYAIAZQKK-UDWIEESQSA-N	581.410	5.480	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OC	409323540	PWPAKBLCZKFFLR-LQNQUEJISA-N	509.002	5.963	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)ccc1OCc1ccccc1	409334593	UEEBRSFDULHCPM-DXJNIWACSA-N	565.047	5.849	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)ccc1OCc1ccccc1	409335457	OBBUUSCJYOJKFH-DLCNMLRHSA-N	592.479	6.671	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1OCC	409335536	OUSDRLDYUNYHNJ-LQNQUEJISA-N	522.001	5.393	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)cc1OCC	409337248	XMAXUCNCHAOYFL-OHUYPAJKSA-N	640.372	7.895	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Br)cc1	409362615	JOZZBNAPPOKGTK-FDVSRXAVSA-N	574.313	6.499	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(I)cc1	409372211	UGEHGFYNJSTYKH-GRSHGNNSSA-N	652.226	6.846	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)c1	409395959	UNGKBOHTSGZGCQ-UHFFFAOYSA-N	699.758	8.144	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409396796	BHWLDVIAPWHTAG-UHFFFAOYSA-N	552.030	7.097	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)[nH]c12	409396821	BPERLDNUWWRKRY-UHFFFAOYSA-N	586.475	7.696	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccccc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409397399	JLLOJZFBINDHPG-UHFFFAOYSA-N	577.593	5.761	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)c(-c3ccccc3)c2c1	409397907	PJKDHMIBKFQIHJ-UHFFFAOYSA-N	533.584	6.144	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)o2)cc1	409405297	SQQLGJFWVQYXFE-RODHXAHZSA-N	695.383	8.273	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc2c(c1)OCO2	409406848	XQZZHJQMFOIJOZ-UHFFFAOYSA-N	628.081	7.000	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC(C)(C)C	409407386	ZOEIZULNSWZUCC-UHFFFAOYSA-N	550.055	6.869	50	40	KKGB	
COc1cc(N2CCCC2)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409409707	QFCWWQWXQMNOII-DXJNIWACSA-N	512.610	5.639	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1	409410415	WVAPCGHCISSXNW-MEWGGAFXSA-N	546.539	5.481	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(C)cc1	1531386383	RJXDHLBNBXNHCN-OJYCWLPVSA-N	563.654	6.926	50	40	KKGB	
N#CC(=C1C([C@H](C#N)c2c(F)c(F)c(C#N)c(F)c2F)=C1[C@H](C#N)c1c(F)c(F)c(C#N)c(F)c1F)c1c(F)c(F)c(C#N)c(F)c1F	2362803274	WDNFWNVBLFHPPN-YUMQZZPRSA-N	674.364	7.173	50	40	KKGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1	3115418	NBNDSLOOTBDGQU-HNSNBQBZSA-N	570.443	5.067	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	3276098	KFWSHZKLFYKHCC-IURWMYGYSA-N	517.866	6.522	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3[N+](=O)[O-])C3=C2C(=O)CCC3)cc1COc1ccc(Cl)c(C)c1	8456041	KNKVXCZDGRTDTM-GDLZYMKVSA-N	571.033	6.449	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccccc2)N1	9311045	JBLQBQVSJQKZSC-HHHXNRCGSA-N	514.050	6.599	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C(C)=C/c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9358981	BIUBKOKUTOAAOF-LMWIJNDMSA-N	529.666	6.131	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)n2C2CCCCC2)cc1	9428045	DVZBGANCFUSNDT-AJBULDERSA-N	525.678	6.793	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccco1	12250143	AUFBWKFFEOJBIE-AREMUKBSSA-N	518.683	5.667	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c([N+](=O)[O-])cc1OCc1ccccc1	14151834	ICVFAVIHTROMMA-YBFXNURJSA-N	514.563	5.540	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccc(-c2ccccc2)cc1	30750240	UIUVWAZKASPOQK-WGARJPEWSA-N	511.097	6.393	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)/C(=C/c1ccc(N(CC)CC)cc1)NC(=O)c1ccccc1	33354199	DDVYXJANZGIVPG-JKUBQKIQSA-N	534.660	6.006	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)c(C#N)c1C	33591029	UQLYLTASLJFGNT-GIJQJNRQSA-N	503.536	5.609	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	59297404	MTJJYGCULLKBNT-XNTDXEJSSA-N	502.741	6.680	50	40	KKGB	
O=P(O)(COc1ccccc1CP(=O)(c1ccccc1)c1ccccc1)COc1ccccc1CP(=O)(c1ccccc1)c1ccccc1	95100978	OYTZEXWZWKYFON-UHFFFAOYSA-N	706.652	8.358	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccccc3[N+](=O)[O-])n2-c2ccc(C)cc2)cc1	97939475	RFAITYXPNHKMPQ-HOMFSZAXSA-N	528.594	5.067	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	97946846	XHOPUPTYLCCTPD-KOEQRZSOSA-N	579.487	8.279	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	97950482	KZYBSELQLYBLJJ-MHZLTWQESA-N	544.702	6.162	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(n1cccc1)=C(C#N)[C@@]21C(=O)N(Cc2ccc(F)cc2)c2ccccc21	98008233	CQLQBZNAKCTWRH-PSXMRANNSA-N	568.652	6.968	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	98048541	JVCFMIYYSJMQCN-RUZDIDTESA-N	576.103	6.558	50	40	KKGB	
C(=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100027690	UOISPEMFOAAJLR-VXPUYCOJSA-N	578.676	7.531	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100125041	GTESQZMUPZGOEZ-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2c(Br)cc(Br)cc2Br)o1	100706858	YCVVZPGDDDCIAE-KRWDZBQOSA-N	569.047	6.049	50	40	KKGB	
N#C/C(C(=O)Nc1cccc(Cl)c1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	100874728	ZIKFWPOTFPUJON-WTALZMIHSA-N	528.848	6.712	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccccc1Cl	103754236	AYDOOBOZDOROGI-IPPBACCNSA-N	559.028	6.258	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889321	BUWBDWDZOMLGRQ-NVNXTCNLSA-N	571.085	8.187	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	103896309	AONSMGUNLXDHCP-LUOAPIJWSA-N	567.223	6.324	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	104402914	AQZQXHLGUMOISJ-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
O=C(N[C@H](c1nnc(Nc2ccccc2)s1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104478892	FLAUTOULSDJBEN-YTTGMZPUSA-O	571.666	6.704	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4cc(C)cc(C)c4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709396	LCRLXZVORFZYGK-YKWKEXTFSA-N	555.744	6.921	50	40	KKGB	
c1ccc(C[C@@H]2COC(c3cccc4c3[C@]3(CC4)CCc4cccc(P(c5ccccc5)c5ccccc5)c43)=N2)cc1	117694190	WDIPXXMCRPGMIB-FADDAYQUSA-N	563.681	7.011	50	40	KKGB	
CCCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C=C\[C@H](CCCCC)OO)OC(=O)CCCCCCC/C=C\C=C\[C@@H](CCCCC)OO)OO	150339550	SOQCDTNXVWQPLF-XMKQIWJUSA-N	989.426	16.220	50	40	KKGB	in-vitro
CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341259	QJQNZHHCDNJNSS-LURJTMIESA-N	830.148	10.921	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341939	BHODTRDOJAWLPT-NRFANRHFSA-N	990.546	16.137	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	150434373	PWWCDTNRARQYIV-JEPNHJGPSA-N	656.588	6.715	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc(I)c1OCc1ccc(Cl)cc1Cl	163906127	CRCOZFQKPXQBLY-DPWJMMOYSA-N	683.330	5.826	50	40	KKGB	
CCCCCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	408537443	FETVHGQYCAZQLR-ZCTHSVRISA-N	533.097	7.930	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)ccc1OCc1ccccc1	408537900	HWDHXRSKKUUEDZ-ZVHZXABRSA-N	589.475	7.801	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408542722	KTABXGRBLTVBOQ-LSCVHKIXSA-N	580.205	6.948	50	40	KKGB	
Cc1nc(-c2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)cc2)cs1	408550792	HKBPOSOASZKXCR-VWDPFFEDSA-N	697.236	7.732	50	40	KKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	408552106	HIOXBIXWPYDDRA-BRYYZUPOSA-N	514.445	5.993	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC	408568468	JKEUYRYQWWLIMS-SQAVSUBZSA-N	586.517	5.485	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1cccc(C)c1	408570808	YWDYGLQWOJJYMR-OKCVXOCRSA-N	557.137	6.634	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1	408586876	CUNNCLNUDQAJBW-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc2ccccc2c1	408599277	RRVSHFQSCHZRSR-IPPBACCNSA-N	617.135	7.470	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N2C(=N1)SC(C#N)=C2N	408605267	LKKQFVVGKSSKLJ-QFIPXVFZSA-N	522.417	6.277	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408676173	GNBUBISTLDPNGT-OCSSWDANSA-N	565.468	5.148	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408740739	MAAJVEPOLWEDDK-ZHSUKTGHSA-N	635.773	8.168	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)COc3cc(Cl)cc(Cl)c3Cl)c2-c2ccccc2)cc1	408741503	JHGUDRBHFXSIMX-HASSKWOGSA-N	618.948	8.699	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3Cl)c2-c2ccccc2)cc1	408742630	WYYSATOHPFNMBK-UACWCTJZSA-N	641.171	8.813	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c1	408743610	BKXGNAQTCLPLSP-ZDLGFXPLSA-N	684.699	7.073	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c([N+](=O)[O-])cc1OCc1ccccc1	408744062	WCKOWUNWKLNDMT-SBWWSWLISA-N	622.681	8.071	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)ccc1I	408746966	IRYDPZLKJYUFIK-LUOAPIJWSA-N	573.189	6.089	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc2ccccc2c1	408747360	MVOATFQUYVVAAJ-IWIPYMOSSA-N	527.418	7.126	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408788580	LIIHRBLWUBEHAY-CIAFOILYSA-N	550.409	6.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc2ccccc2c1	408789709	RLQWAURJTMASLA-WSDLNYQXSA-N	643.308	8.275	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(F)cc1	408790775	YMGHVDVLIOEBQH-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(C)cc1	408793098	NJMHWJZNWYTWOD-KEBDBYFISA-N	525.830	6.853	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1	408796745	PTPUAJYMMDDHRF-SRZZPIQSSA-N	565.265	6.770	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1Cl	408809898	SMPPNWYRPQFGBT-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408813072	DREDTVAVKHLSEO-MFOYZWKCSA-N	573.318	5.472	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC	408824523	QTWTUHGISPFFBQ-DEDYPNTBSA-N	507.373	6.139	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408829707	KLOQHZCEXCCHIA-KCSSXMTESA-N	611.507	5.357	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408829830	QNHFSOSGVKHCNN-STZFKDTASA-N	614.938	7.485	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1	408834580	VLZDINLVKQZIFN-LALXJTNGSA-N	769.729	6.636	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408840513	ZBFMCAXLEVIVJS-MWBNBJEGSA-N	642.137	8.165	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408842291	IUFWGDQGYXNLJS-XJECJHNESA-N	754.006	8.462	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408844698	VUVXIRQEHOVJAX-ZMBVXGBTSA-N	568.682	7.160	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccc(I)cc3)o2)cc1	408848424	YUECHWPEMQGWDZ-DXJNIWACSA-N	571.418	7.081	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2cc(Cl)cc(Cl)c2)cc1	408860426	VKWFVWZELQPFQB-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408860612	AATKBXREYRLABE-STKMKYKTSA-N	558.635	5.122	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408864222	XMOHZVFNVCRYAF-FABQOPTDSA-N	613.614	5.796	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408867900	MNBOBMVIJHIGHV-RQZCQDPDSA-N	520.641	7.546	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC	408873477	UPAIHFLYQQNTNV-CCVNUDIWSA-N	594.915	5.082	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O	408873711	VBXKNPSCCLWBQP-PNQUVVCRSA-N	634.858	5.490	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1ccccc1F	408874370	BRYCXZSYJOGFBK-SRZZPIQSSA-N	569.427	5.806	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCc1ccccc1Cl	408875533	JUQFURHDWCZCIC-DIHVBJPZSA-N	552.840	5.809	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	408877303	ULZVEOPDODVXJC-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3ccc(Br)cc3)c2)c([N+](=O)[O-])c1	408880074	GXIUNQFSXLGPRG-WOJGMQOQSA-N	538.354	5.499	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408888140	XFNBXUBLBDATLW-RQZCQDPDSA-N	583.351	5.407	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OC	408892340	APMNVBAQJAHOJW-OQLLNIDSSA-N	508.743	5.372	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Cl)cc1	408894024	IHFDAVUXOLACLP-WOJGMQOQSA-N	501.391	5.924	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	408910367	KLTRZRDJESPZIP-TYBAKLTESA-N	561.480	5.568	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408941709	QGQQQMYGQNVHAH-STBIYBPSSA-N	512.075	5.287	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OCC)c1	408944981	JYFDULWEDUGAHN-LJAQVGFWSA-N	681.609	5.312	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)c(OC)c1	408957083	SFLHQBRXWOUHAF-VOSMKULASA-N	659.498	5.440	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)c(F)c1	408967972	TVEBOSXXDWIGNC-IPBVOBEMSA-N	612.624	6.061	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1	408990380	KXOJCPNJGLUIMA-PXGAOIJESA-N	597.675	5.509	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)cc1Cl	408991166	NBLRQXTYYBDJHO-GZTJUZNOSA-N	517.958	5.229	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408999067	WDVGWPHWXFFHKV-LUOAPIJWSA-N	690.659	5.356	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(I)cc1	409014768	JEQCBSWWGWYRQQ-RAWMCFOBSA-N	688.101	6.576	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	409025574	STEDEOVSRIRUGM-UDWIEESQSA-N	540.255	6.899	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409048448	OOIBXMKHYFLJHW-KVAAJVFYSA-N	560.868	8.205	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCc1ccc(C(=O)O)cc1	409063972	ATZCRFBLIZYBOH-LPYMAVHISA-N	502.954	5.900	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409065620	JSIDMTLGLHWGRK-LDADJPATSA-N	518.816	6.333	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1)C(=O)NCc1ccccc1	409066252	MOSINXCALODYJK-KEBDBYFISA-N	570.237	5.712	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409070214	YEGNXYQXKTXVBN-WGOQTCKBSA-N	510.590	6.254	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccccc1	409097925	OIYNBWLLSNXMFO-RUZDIDTESA-N	521.367	5.374	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)[C@@H](O)c1ccccc1	409147485	WVQDEVFGMNXQCK-GILOHTSUSA-N	596.470	5.380	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)cc2c1	409188032	WLJSSSICNWJVNZ-WGARJPEWSA-N	520.454	5.213	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NC1CCCC1	409188685	JVBMBFBKSNSAHA-SXGWCWSVSA-N	538.667	6.410	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	409213508	PKQYOYCTCVDGOT-XODNFHPESA-N	615.320	6.818	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	409222475	DETZFALEUZSDSC-XWDKCVBESA-N	670.482	5.195	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)cc1	409223550	GAOVOOIYZTVNGU-UHFFFAOYSA-N	660.477	5.627	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1	409224549	KYPAJKZYPMHOGR-UYZRDYKWSA-N	726.765	7.408	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	409226834	XHCNCHNCJLTJBS-RXSTURIQSA-N	666.519	5.052	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409258465	XQOKQJFWOXCSIU-MBTHVWNTSA-N	571.415	5.088	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1	409262958	JSIGDQKZRVGWKN-PPDIBHTLSA-N	515.353	5.300	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OC)cc1OCC	409315109	NHJRCKSFZUVBGP-FMCGGJTJSA-N	514.214	5.172	50	40	KKGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC	409335758	XPMPPIBZUYTDOC-RHANQZHGSA-N	588.442	5.830	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Br)cc1	409368446	WBUNWJANYZLNAE-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(F)cc1	409370170	MFHQITGWLIIWSA-PPDIBHTLSA-N	573.271	5.236	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1I	409371934	CBZMADNRESNADT-WYMPLXKRSA-N	600.194	5.220	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409385574	LLRNTILXRKABLW-UVHMKAGCSA-N	599.419	6.222	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1	409388002	ZPAIMNCHSLJTDY-OKCVXOCRSA-N	514.651	5.904	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409395998	VABPYRCOARKHOR-UHFFFAOYSA-N	529.512	5.598	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396275	IYDMRBIWALITSN-UHFFFAOYSA-N	627.484	7.404	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396331	LTPXNDZWRHJTID-UHFFFAOYSA-N	728.370	8.137	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409396832	BSEJDQZCPLXBBJ-UHFFFAOYSA-N	581.470	6.647	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409397418	JQNYMYOKRIGWNR-UHFFFAOYSA-N	601.581	7.244	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(F)cc4c3-c3ccccc3)cc2OC)cc1OCC	409397650	MHTAGVGEDHSSIH-UHFFFAOYSA-N	595.627	6.763	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398250	RYCAYZUYXJRPRE-UHFFFAOYSA-N	583.431	7.005	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)c(-c3ccccc3)c2c1	409398947	WVNDFBAKRBYOOQ-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(C(C)(C)C)c4ccccc34)o2)cc1	409405926	VJMUMGJUWFUKKZ-APTWKGOFSA-N	522.649	7.048	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	1529547168	JFQPQBQQSPBJJL-XINRNAFCSA-N	750.897	6.329	50	40	KKGB	
COc1cc(Cl)cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1Oc1ccc([N+](=O)[O-])cn1	1531386433	VFNGGEUPLPLRQL-AABVJFSESA-N	616.030	6.788	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@@H]1c1ccc(C)o1	1309945	LWSHJRKHPCBBKO-MUUNZHRXSA-N	542.661	5.920	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)nnc2-c2ccc(Cl)cc2)cc1	1770758	OAIVAECZBFYAMI-STBIYBPSSA-N	535.073	5.295	50	40	KKGB	
CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(=O)OCC)c1C	2376256	LQYUEYNBAOJCTO-PTNGSMBKSA-N	512.569	5.418	50	40	KKGB	
COc1ccc(C[C@@H](C(=O)N/N=C\c2ccc(N(CCCl)CCCl)cc2C)c2ccccc2)cc1	4821996	JYQWGXWLPVDWOS-CMKSJBIWSA-N	512.481	5.764	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccncc2)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1	8407514	REWMZPDJUKXAJM-ZCTHSVRISA-N	508.018	6.013	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)c(Cl)c3)NC3=C2C(=O)CC(C)(C)C3)cc1OC	8433434	BDTXEXHXPJTWMR-DEOSSOPVSA-N	529.489	7.009	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	11853075	LJEUVOYBADFUCW-VWLOTQADSA-N	535.094	6.417	50	40	KKGB	
Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	13943260	DPDVPCOQIQPGID-UQSUQEKASA-N	505.328	5.408	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	20197301	FVHYHGFDHAATKL-JFLMPSFJSA-N	501.808	6.234	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1Cl	20348472	ZFVAMEPPXHQWBY-VWLOTQADSA-N	522.070	6.062	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(C)cc2)cc1	59855906	HMNXDDHOTLYQOA-OKCVXOCRSA-N	556.471	6.216	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	97957944	GVRLVBMAUNBCLC-NTFVMDSBSA-N	526.449	5.882	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	98048679	AMHJQKGLRKFNKA-WJOKGBTCSA-N	566.727	6.744	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	100044720	NSXJXGRHLGXFAX-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)Cc2ccccc2)cc1	100070383	RBYFTSTVKVVRIM-FZPRHHONSA-N	626.566	5.701	50	40	KKGB	
Cc1cc(CN2CCOCC2)c(C)c([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3Cl)C3=C2C(=O)CC(C)(C)C3)c1	100250950	CCSMSNZNMKRMTQ-MUUNZHRXSA-N	565.545	6.383	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)c1	100330330	PIDUOTFZNBLULY-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cc(Br)ccc3F)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852218	GLTQTVOFMNEALG-ACXHZZMFSA-N	580.527	6.684	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1c(Cl)cccc1Cl	100858323	DTXPIRCDYZHTDO-NVJOKUIPSA-N	551.286	6.790	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccccc1O	100896200	FNTPFGCILIILRH-QQXSKIMKSA-N	522.428	5.035	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccccc2Cl)cc1	100955552	QVXWNJIBKOONHE-FDAWAROLSA-N	593.061	5.481	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	101749173	IEVNVXDARZYOBF-OHUYPAJKSA-N	574.862	5.939	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(Cl)cc2)cc1	102078518	MPQWZCXUBLIVRW-BDPHVXEFSA-N	542.875	7.020	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	104402881	WKPHQJZZCCYRNA-VULFUBBASA-N	532.232	5.953	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341903	DNSUCKWMGCYBEZ-FQEVSTJZSA-N	826.498	13.841	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341958	ZSMFXOXKEQMBQU-QFIPXVFZSA-N	904.559	15.257	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)cc1Cl	150468781	KEFLPOBNFXQDBO-KBVAKVRCSA-N	629.964	5.864	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	162449934	OFANRFYXJCBKLF-KULFSUQXSA-N	631.120	7.037	50	40	KKGB	
N#CCn1cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)c2ccccc21	209518105	ALYKPQHPFGKLML-YSURURNPSA-N	500.150	5.200	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1OC	408538197	KBOXNZKZWHNZES-RHANQZHGSA-N	514.091	7.284	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(C(=O)O)cc1	408544428	TUIBWKWPIYSNSA-GRSHGNNSSA-N	607.185	6.237	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551008	IXYIYJAPEPOGGV-WKIKZPBSSA-N	531.352	5.082	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408579324	FQVSMIDTHXKKEG-FRKPEAEDSA-N	580.693	7.808	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1OCc1ccc(Cl)c(Cl)c1	408612204	XXKNSKYDSCIINF-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(N2CCCC2)cc1	408676072	DNKHDSPGPUUVKJ-WKULSOCRSA-N	547.280	6.699	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccc(F)cc1	408677013	OMDBGMBDYKDFEV-OCSSWDANSA-N	540.433	5.930	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1	408681529	FMXFFTOJHRGUJV-LTDCPUDJSA-N	602.696	5.321	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	408687351	UOZLUUGJRZOEAZ-BDYUSTAISA-N	597.292	7.790	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(I)cc1	408711649	CVRWRAOCQZNQRN-UVHMKAGCSA-N	705.128	6.400	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408725578	KUINEFZZPBNUEF-GRSHGNNSSA-N	607.275	7.430	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Br)cc1	408726195	RKRQTWFXONDWJO-ODLFYWEKSA-N	556.254	6.653	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCc1ccccc1	408749263	MNWJHTJGHJJWKJ-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1cccc2ccccc12	408756513	SNMYKKVTGZWBFI-HNSNBQBZSA-N	600.456	7.339	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc2I)cc1	408774594	CIVYZBJZEJGOFU-IUXPMGMMSA-N	539.211	5.373	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408790239	ODRJIRIUXLRZJY-LICLKQGHSA-N	570.299	5.232	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(I)cc1	408791927	FKBFEJVPYNSHBT-LICLKQGHSA-N	579.221	6.731	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408793480	PDCFRQULSRTSSA-LICLKQGHSA-N	625.144	8.042	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)c1C	408794381	IYGWCEVUSZRJDG-DJKKODMXSA-N	605.245	6.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(I)cc1	408795932	NBAZPYGROXYFIF-VCHYOVAHSA-N	593.248	7.121	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc2ccccc2c1	408796144	NIPRPNZHMAVEDG-WSDLNYQXSA-N	596.308	8.432	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1cccc(C)c1	408796710	PPKVLMPJDQHBSG-LPYMAVHISA-N	549.421	6.068	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408819661	QXAQNDSVJROSAK-UPBYCUSYSA-N	611.573	7.419	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1Br	408832883	SAXBUDNVIPBZCK-XSFVSMFZSA-N	523.814	6.792	50	40	KKGB	
CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408835440	WZPBDFVMIWIJOF-DEDYPNTBSA-N	511.405	6.915	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408839819	WNVMXKQNQUWQEN-QNVXDBMFSA-N	726.878	9.084	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408840983	HBHHUNTZNIEOQZ-IURWMYGYSA-N	681.434	6.690	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1	408841511	HKXNASGUDPYCJG-IBBHUPRXSA-N	524.568	6.486	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408851322	XUVIQTYYTXLFPL-DXJNIWACSA-N	544.449	6.553	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCC#N)c(I)c2)cc1	408852384	KEIWSJNPQHSDND-YKQZZPSBSA-N	560.395	5.724	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC#N	408853725	RBRTUSNGHDGDEW-MZFJOGFUSA-N	604.448	6.122	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1	408853814	SOFDKWNOCLWWQG-GXBUFBABSA-N	609.480	7.466	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1C	408885025	WRNBOPWJHQNZSR-RGVLZGJSSA-N	529.356	7.209	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408886804	MGRGVMWEVOYPMD-MHWRWJLKSA-N	508.874	5.811	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	408888968	DBZMVTZAFLWHJF-NCELDCMTSA-N	524.598	5.887	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408890271	QOXUMPUFRVMVOE-VULFUBBASA-N	507.395	5.232	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OS(=O)(=O)c1ccc(C)cc1	408891192	MUHGPOBFMQPAQI-LDADJPATSA-N	620.319	6.150	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(I)cc1	408904808	OYLKZCDTHGHTGO-QDTIIGTASA-N	619.799	6.341	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1cccc(C)c1	408905066	SPLYUGCRTFVATH-WKIKZPBSSA-N	516.823	6.463	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408907419	NKFCDOSJJCUCJC-ACXHZZMFSA-N	542.979	6.745	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408913290	SPFJHYLIJXUAOC-IEDNCLQISA-N	540.576	5.135	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OC(C)C)c(Br)c2)cc1	408951570	UPDFEWZGAXJDSL-YKQZZPSBSA-N	516.439	6.766	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c(OC)c1	408954893	NPXXPUIVEZKAKS-LUZLDADYSA-N	701.574	5.910	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408962044	FYZOMOXTZKGQJH-KVSWJAHQSA-N	552.303	5.728	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408962430	RXRFXRNKDKKKAX-RPPGKUMJSA-N	620.197	6.051	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408963365	NOEAQROGQUZLNF-KVSWJAHQSA-N	599.303	5.570	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc(C(F)(F)F)c1	408964344	QXWYKUYPINDLMH-VPUKRXIYSA-N	546.170	7.118	50	40	KKGB	
CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408971385	NPWUKPQLPIKKST-QFKORDCFSA-N	602.471	5.182	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)o1	409018169	XYWSEIDMTONWNX-UFFVCSGVSA-N	530.160	5.003	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1Cc1ccc(F)cc1	409032392	JFXQDPDHDZMYKS-JEPNHJGPSA-N	512.588	7.116	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	409042006	LWEBRDQWRCFNNI-LGJNPRDNSA-N	564.221	5.195	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)cc1	409044832	DPEANKBLKWZQEO-GZTJUZNOSA-N	606.292	5.842	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCc1cccc(F)c1	409064793	FNVYOZGRRIHCRG-OEAKJJBVSA-N	500.526	5.474	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1	409070834	ZNOGMTLCIHPLME-RQZCQDPDSA-N	590.655	6.688	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409153477	IFIXGCFVPXDLSB-IBBHUPRXSA-N	678.911	5.157	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C	409171392	AJGNJZCAPZWZHK-VVEOGCPPSA-N	605.848	5.055	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(F)cc1	409202222	QIVXLURYVIXZQS-XODNFHPESA-N	598.865	6.304	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	409219718	PJNRAONGDWIZGK-LFIBNONCSA-N	545.220	6.319	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409224078	IVJVVOFPBXXSFC-UHFFFAOYSA-N	626.880	6.899	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1	409227297	ZBPLCBKHYSRRNZ-UHFFFAOYSA-N	527.964	5.584	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	409248364	QDZOQRNLOJTYEV-MNDYBZJGSA-N	664.256	6.460	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1Cl	409260301	OGRKREIGOSXHOI-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)ccc1OCc1ccccc1	409263651	NKLJKOBMXYYLMV-HQDYHJHZSA-N	636.930	6.862	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OCC	409311067	DHBKHPMCJPHDHC-MWLSYYOVSA-N	510.974	5.569	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1OCC	409311362	GBJJMLITCYUYSW-MWLSYYOVSA-N	529.406	6.119	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1OC	409320586	QOSVEKNCUORSAY-NTFVMDSBSA-N	574.415	5.440	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1OC	409337072	WLVQXMHNIAOVNQ-MUXKCCDJSA-N	503.433	5.577	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409386284	MHYRPQRKTWGCDM-KKMKTNMSSA-N	645.666	5.690	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(I)cc4)c(OC)c3)[nH]c2c1	409392757	RRYNWXPOOWAQCR-MFOYZWKCSA-N	571.802	6.481	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409394726	FDPHUEINSKMFRJ-UHFFFAOYSA-N	600.900	7.851	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409394880	GZROJOVNAAGFFF-UHFFFAOYSA-N	745.642	9.175	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl	409394934	HRQCMTJZRJISNL-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)c1	409395639	QDEHNOBKOHMCGI-UHFFFAOYSA-N	711.794	8.014	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)[nH]c12	409395943	UHNWAALYTHWLTD-UHFFFAOYSA-N	566.455	7.143	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398538	UHWLFOBJSMKNHB-UHFFFAOYSA-N	685.789	8.939	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1C	409404154	PATZDRIDJRIHAZ-UUSDDZCZSA-N	734.047	8.171	50	40	KKGB	
O=C(N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	1857795253	YJXZURCQRJFSEN-DIPNUNPCSA-N	729.641	9.086	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1F)C(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2	707317	VEXRMVVIVASRQY-JOCHJYFZSA-N	510.363	5.258	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nnc(SCc4ccc(Cl)cc4)s3)ccc21	1778744	DYPBMTFXKOKPPV-CCVNUDIWSA-N	552.150	6.854	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(OCc2ccccc2)cc1	1887150	ZTSRLNDVGHHSBL-OCSSWDANSA-N	556.738	6.805	50	40	KKGB	
CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2	2340694	ZAXSGKUGVZAKBK-RVDMUPIBSA-N	539.997	6.559	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(Br)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1O	2744755	RREYXSLEWKWNQN-BRQOLZEGSA-N	585.915	5.632	50	40	KKGB	
O=C(O)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	6445749	HLLGIHOHYYUOEV-PHNZBSFLSA-N	525.970	6.240	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)c(O)c1Br	8386815	LURLSKZJNIOUIO-RXWCAMCOSA-N	599.279	5.403	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Br	16449915	JTUBNGLDUZTUOK-KKMKTNMSSA-N	503.183	5.970	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc(Br)cc1	33626408	UAUZOXVSVUHBMT-KKMKTNMSSA-N	501.211	6.523	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccc(O)cc4)c3C)sc3c2CCCC3)cc1	59249797	YKCFWGLWCARCEK-KBVAKVRCSA-N	526.662	6.065	50	40	KKGB	
COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1	59417189	YOTJKMWCLSJOMD-RPPGKUMJSA-N	504.377	5.087	50	40	KKGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59856332	WSXGXYWVNMPHRH-BIZUNTBRSA-N	576.074	5.733	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccccc1	97960772	XPPDLXVCXAJECR-YVLHZVERSA-N	591.097	7.099	50	40	KKGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21	98008285	SGFRDTOPNAIMOI-PMERELPUSA-N	522.967	5.418	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2c(C)cccc2CC)=C(C)N1	98048580	BBVWTOVKZZFYBH-NDEPHWFRSA-N	556.688	6.256	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	100062754	MKKOQRFKHXIFOD-PPDIBHTLSA-N	571.096	6.790	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100130093	ZCJXDAGVTBKNDB-QXPFVDMISA-N	542.705	5.095	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccc(Br)cc1	100178481	ZAKPOLKKBDKZJR-LKANYEMDSA-N	610.895	6.069	50	40	KKGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	100229069	SQPDIZYABMVPOH-YFNVLSEKSA-N	570.325	7.220	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	100477899	DCGKBCWDXVARMA-FMFFXOCNSA-N	551.002	6.902	50	40	KKGB	
CCCCCCCCCCCCOc1ccc(/C=N/NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1	100489956	RZLBYDNPHJQKMP-WUAOPZHPSA-N	556.835	9.283	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)C(C(=O)Nc2ccccc2OC)=C(C)N1	102719523	VYDXVDKYKGLYPJ-LJAQVGFWSA-N	556.663	6.103	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)N=C3CCCC(O)=C32)cc(OC)c1OC	102892010	FOOXIFSOTSBSMV-XMMPIXPASA-N	523.586	5.493	50	40	KKGB	
ClC1=C(Cl)[C@@]2(Cl)C[C@]1(Cl)[C@@]1(Cl)[C@H](Cl)C(Cl)(Cl)C(Cl)(Cl)[C@]21Cl	104202304	ZMRXZSLKCSISDN-MHYOJZRLSA-N	513.117	6.972	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1	104402983	WXEYJMSCXUAJSR-RWPZCVJISA-N	531.834	6.243	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccccc1F	105475616	UZJJZWHOMHDAPJ-RPPGKUMJSA-N	536.195	5.702	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(I)c1OCc1ccc(Br)cc1	112247496	WWZJDIACYIFYJG-UVHMKAGCSA-N	594.247	5.378	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	150369930	JCRHXIBJPQPAHQ-OHUYPAJKSA-N	669.985	5.461	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	150486069	IYBAWLWQIRQOSL-KCSSXMTESA-N	639.086	5.190	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408551184	MAXXYUYCIIEXON-VXLYETTFSA-N	548.020	5.983	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408551528	DPOCDRWZQDAGLB-OHUIHDMLSA-N	544.744	6.447	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1	408569451	NTQOYLCKVOIDDT-CCVNUDIWSA-N	561.498	6.175	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1I	408569520	OJSIUTRZINWNQU-WZUFQYTHSA-N	559.120	5.374	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccccc1Cl	408570423	UVVDBOKNEPRUOJ-RWPZCVJISA-N	529.083	5.935	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1ccccc1I	408691743	OOAVOEYDKLAORF-BRJLIKDPSA-N	551.226	5.023	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	408711725	HSYOAJNHVIHHPC-MBTHVWNTSA-N	531.834	5.782	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1cccc2ccccc12	408724391	DXURCPNGODVZNW-DCVUVCBVSA-N	535.482	6.856	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1	408726808	VJMINWMDAXIXOM-ZDLGFXPLSA-N	508.328	5.491	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(Br)cc3)cc2-c2ccc3ccccc3c2)c1	408727981	YWQLCEHDJJDAHW-UXHLAJHPSA-N	509.407	6.527	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc(Br)c1OCc1ccc(Cl)cc1Cl	408734833	FQJANEOBELKIJA-DPWJMMOYSA-N	636.330	5.984	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2C)sc2c1CCCC2	408734986	MGVTYCCXXFSOET-CPNJWEJPSA-N	508.043	6.410	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408743847	BZPXPFUHBNGZAA-WQRHYEAKSA-N	508.328	5.491	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1	408746688	VLUHTLITSIYDHG-MFOYZWKCSA-N	607.217	6.326	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408750967	UQKJLOPJVYCKDC-KYHGBAKBSA-N	706.293	6.000	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408753277	GBAYUUGBSPQPAY-MHWRWJLKSA-N	596.286	6.386	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Br	408754259	JRBBAMYERLVZNK-RVDMUPIBSA-N	607.236	5.433	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCC#N	408760061	QUSLQCXCPFZTTG-ZSOIEALJSA-N	505.166	5.058	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2I)cc1	408764394	ROYDIOGRZGLDQC-RGEXLXHISA-N	565.367	5.057	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2ccccc2c1	408764734	VGBNNZREXZKLBR-UDWIEESQSA-N	578.400	5.824	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(I)cc1	408764947	NYIZLEDHPHIULP-ZDLGFXPLSA-N	637.699	7.230	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408774440	VOZNCRQGAZVGMZ-RQZCQDPDSA-N	644.378	6.241	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(Br)cc1Br	408783583	NDIPVBREHQFPJI-GRSHGNNSSA-N	567.281	7.357	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)cc1	408788179	BQKBBEVSLIMTPQ-LPYMAVHISA-N	549.421	6.068	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc2ccccc2c1	408791961	FSUUODYFDHMABI-AFUMVMLFSA-N	541.445	7.352	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(Br)cc1	408792531	ARDRQYNZVBLXRZ-LICLKQGHSA-N	576.672	6.998	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(F)cc1	408792659	BHJAUPYKUFGIET-WOJGMQOQSA-N	558.347	5.659	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(Cl)cc1Cl	408796423	PAHVLHXHMYRTBB-REZTVBANSA-N	580.693	7.851	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(F)cc1	408796838	PLSJBPZTQQNUFA-WOJGMQOQSA-N	576.793	6.607	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc2ccccc2c1	408797479	RSJCFSLASWYACN-AFUMVMLFSA-N	588.445	7.195	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(I)cc2)c1C	408798135	UXYYKVVDHVGFEF-KGENOOAVSA-N	508.359	6.033	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1ccccc1Cl	408807717	DXXQCWFJURDALZ-IWIPYMOSSA-N	502.998	5.888	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1ccc(I)cc1	408816458	TZRFMRQYJUMNOO-IWIPYMOSSA-N	594.449	5.839	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1cccc(Cl)c1	408833433	KEGMWFQIDRTMBC-CVKSISIWSA-N	678.954	8.355	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5cccc(C)c5)c(I)c4)cc3)cs2)cc1	408838165	CNWQJHSTCNXKHZ-XJECJHNESA-N	784.461	8.723	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(C)cc1	408839193	OOSDKHGUCIXISU-ODNPBWNPSA-N	655.618	8.675	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(I)cc1	408839568	ULEHDCHKATXGKV-XZYGTATASA-N	688.591	8.208	50	40	KKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)cc1	408840655	CXFCBMQMZQNREK-DPNNOFEESA-N	554.119	7.941	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)N4CCOCC4)c3C)sc3c2CCCC3)cc1	408843866	HKDHAQOBNKTMNJ-QJOMJCCJSA-N	528.678	5.361	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2C)c(Br)cc1OCc1ccc(F)cc1	408858337	YIOPUPRCQCHXOR-YBFXNURJSA-N	588.271	7.183	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408864675	YCMYCHBHCDPFOY-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	408866750	IQKVNSKLQZXODD-XSFVSMFZSA-N	506.911	7.637	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408867292	IDKGGXUGNSRZOG-CAOOACKPSA-N	569.794	8.189	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)c1	408872529	FVILLUZEOQFCBI-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccccc1C	408880584	ILFZEMUUVKVKEN-BUVRLJJBSA-N	541.445	7.434	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(OC)c1	408884175	SZDSZDYAEDMGCU-FYJGNVAPSA-N	538.385	5.987	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl	408890949	ITRRHAKDBDMYIF-XNTDXEJSSA-N	518.334	5.215	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1	408891101	LLRLYSVDWDDION-WOJGMQOQSA-N	501.391	5.924	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OC	408898894	YFLFPHXATSTOPA-LFYBBSHMSA-N	527.158	5.783	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccc(Cl)c(Cl)c1	408899274	OZXJTHNRGQFRCY-WOJGMQOQSA-N	511.361	6.215	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OCc1cccc2ccccc12	408900421	VQQLESFBTNGIGA-MUFRIFMGSA-N	513.644	6.280	50	40	KKGB	
O=C(N/N=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1	408903960	BSQOCZBWHHUMJM-CPDSRJINSA-N	534.355	7.144	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1OCc1ccc(Br)cc1	408922877	HGUAAUQMSOYKCM-CPNJWEJPSA-N	522.355	5.799	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c(OC)c1	408925982	VVVDPQKCWHOJJQ-AEXCRMGKSA-N	669.738	6.150	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408954640	SBMSAGKDZBXTFE-JAIQZWGSSA-N	597.282	6.677	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1	408965595	WETNTTRQLDFFRC-XODNFHPESA-N	554.306	5.662	50	40	KKGB	
COc1cc(/C=N/NC(=O)NC2CCCCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408970408	HMOOVOBQIHLKKJ-RPPGKUMJSA-N	529.262	6.309	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408971182	CYMYAPRLMJXPJZ-OZHFBSLVSA-N	586.516	5.826	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(I)cc1	408981569	BSHUYDYHEWBBPM-PXLXIMEGSA-N	568.842	7.106	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	408983369	LQNWRXVVCNXVDI-WSDLNYQXSA-N	610.733	8.451	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc2n1Cc1ccc(Br)cc1	408992153	SCXYWUPCQOCNLA-NQDGKPANSA-N	613.516	5.471	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(OCc2ccccc2F)cc1	408993786	FUBZGUVNYFAFJM-WCMJOSRZSA-N	505.977	5.995	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1	409003259	RODIOLRZUKOXOX-HNSNBQBZSA-N	556.018	6.283	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409009750	HWZSZTANLQKRBU-XZYGTATASA-N	555.650	6.084	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409035762	QEXNMFZGTNBJGR-DPNNOFEESA-N	526.423	7.552	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl	409076331	ASKNBFYFMXTTDQ-NTUHNPAUSA-N	556.711	7.912	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1cccc(Cl)c1	409101800	YUIAWCLNXMBPFD-XMMPIXPASA-N	602.812	5.869	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(F)cc2)cc1OC	409139007	LDMKUENFWWMIFV-DPNNOFEESA-N	612.079	5.421	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	409145647	PAMJNZAUIBODNJ-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)c(OCC)c2)cc1	409154556	KIXZGNCTEXEXDU-KBVAKVRCSA-N	611.493	5.051	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12	409181985	HHIFAQRTLSMHAL-JDXFJAFMSA-N	652.019	5.132	50	40	KKGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	409184927	IODVZOHJWNIKPJ-FDAWAROLSA-N	552.027	5.404	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409185609	NHZLPOLEXSYAPS-JWHWKPFMSA-N	603.144	6.253	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc(C)c4)c(Br)c3)cc2c1	409187303	ORAGJJXMSRQDHF-NUJZUDFISA-N	586.280	7.008	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409189270	OHSFPOYQBYFHFF-ZDLGFXPLSA-N	514.376	5.301	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1OCc1ccc(C)cc1	409198185	ZIWRBFBCMNBYAR-WGARJPEWSA-N	514.363	5.260	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1	409213994	WFFPHSJDIJRYCE-RPPGKUMJSA-N	615.718	6.529	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c2)cc(OC)c1OC	409219188	NQOYPOPDEZDFJB-UHFFFAOYSA-N	676.476	5.439	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc(OC)c1OC	409227755	WGQSCGHEVZZEOK-UHFFFAOYSA-N	632.467	5.710	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409229426	OVOLVERVRRWELG-JAIQZWGSSA-N	561.387	7.874	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409264741	RSGYVLHMQGHQBW-MTJSOVHGSA-N	548.437	5.946	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409273009	UUACNCPMUDKIMS-IFBDVWKUSA-N	526.420	5.474	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409312718	HEYKUWPOCSRGTR-RTWAWAEBSA-N	602.418	5.521	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)ccc1OCc1ccccc1	409321977	IIJFGLWGOLRYQH-ZMGVVAQMSA-N	619.910	6.766	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409373506	UKBVPQWHEDAMKO-UHBFCERESA-N	542.419	6.301	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccc(Br)cc1	409384019	WGSHVNCZVBCJOV-VCHYOVAHSA-N	588.346	8.066	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409395016	IVUCCFHVEHBRAY-UHFFFAOYSA-N	649.467	7.665	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409398917	WLRCMUGVWWWNDI-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409399047	XOZRNOGQGPLXPN-UHFFFAOYSA-N	581.072	6.854	50	40	KKGB	
C=CCOc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409402959	LMGQGXIGSLTZSY-RHANQZHGSA-N	514.538	5.503	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nn(-c2ccccc2)c(N)c1C#N	1505840641	KJNCIAHRECCUSL-UVTDQMKNSA-N	501.300	5.321	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1	1529545808	BKSPWDLRJLRXSH-FAUQODKRSA-N	760.461	5.404	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(OCC)c1	1529548334	CTQLNCSLWFJNEQ-IZQZZFRNSA-N	655.148	5.342	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)Cn3cnc4scc(-c5ccccc5)c4c3=O)cc2)cc1	1784513	WLHMFTZDQRXCAH-IBBHUPRXSA-N	508.603	5.163	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1OCCc1ccccc1	1784681	BQZCMHPJJJGZKX-ATZGPIRCSA-N	552.656	5.214	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1F	2236161	LALVMRJJKGLSSK-KKMKTNMSSA-N	545.821	5.183	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(Cl)cc1	3232108	LYXWZUNUCQBXJC-WOJGMQOQSA-N	535.349	7.536	50	40	KKGB	
O=C(N/N=C/c1ccccc1I)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	3242801	JATXNMPMYPRKLO-RWPZCVJISA-N	531.353	5.369	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)ccc1OC(=O)c1ccc(F)cc1	3277279	ATVQZFZWBDQNSX-JRZNSJKLSA-N	595.630	7.700	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	4018605	MNZUESFCFHVYIX-RCZAMSQGSA-N	605.651	5.581	50	40	KKGB	
COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](OC(C)=O)(C(=O)C(Br)Br)[C@]3(C)C[C@H](C)[C@@H]21	4288078	CQPHZFNOXSLULF-VSLSQVKQSA-N	542.308	5.784	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(CNc2ccc(C)cc2)n1-c1ccccc1)c1ccc2ccccc2c1	8396549	FDCVOPXXMXLFQU-JDCMOKTRSA-N	520.662	5.974	50	40	KKGB	
N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	8453817	GPCOWIQVZADRGS-VGOFMYFVSA-N	514.198	6.506	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(F)cc1	8812075	SNEJNZQUSOVHBB-BRJLIKDPSA-N	506.169	5.694	50	40	KKGB	
CCCCCC1CCC(C(=O)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)CC1	12858285	AIYYNAZILDDNSA-BGDIREAQSA-N	518.705	8.043	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	14361453	HLAMYPODVHXWJG-WOPLLIFVSA-N	515.532	5.333	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	20028741	WSAOWYCVAZWTKD-MUUNZHRXSA-N	508.647	6.010	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)Cc2ccc(Cl)cc2)cc1	23410641	IJAPKQZWRGSANG-STBIYBPSSA-N	512.075	5.287	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(C#N)c1C	34720627	FRDDWMCPCZVDKL-UDWIEESQSA-N	515.547	5.311	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=C3CCCCCCCCCCC3)cc2)CC1	57294237	LXUJSONGUXGIPW-UHFFFAOYSA-N	504.719	6.408	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	59646600	NJFCWOMNSLMPTK-KVSWJAHQSA-N	552.252	6.181	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)c1nc2ccccc2[nH]1	97947307	IHMQPGRIBBZLJL-PTGBLXJZSA-N	534.645	5.654	50	40	KKGB	
C=CCc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1O	97959068	GDUHYVKYPACNBD-FDVSRXAVSA-N	538.460	5.918	50	40	KKGB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21C(C#N)=C(N)N(c2nnc(SCc3ccccc3)s2)C2=C1C(=O)CCC2	98007188	IABNKPVXZWWUIF-MHZLTWQESA-N	561.092	5.203	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(Br)cc1	100066446	XLOWPQRCORZDTC-JVWAILMASA-N	540.874	5.983	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100126960	RVHGYPSWKRLANJ-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1Cl	100128231	PUUJGWALVMSCJG-STBIYBPSSA-N	566.039	5.001	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1	100853257	DDQRDCLUZWQDCQ-GTWSWNCMSA-N	543.693	5.882	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@H]1c1cccs1	102718246	HYBQZCLNJVYZGL-LJAQVGFWSA-N	566.708	6.616	50	40	KKGB	
CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527826	RUTFCZGADWWYHV-BYPYZUCNSA-N	552.059	6.964	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	103883378	NPKDXKXPUSEUDD-BKUYFWCQSA-N	556.877	6.490	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)c(C(=O)OCC)c1C	105233863	KBGAMFMNRLQDKP-SFQUDFHCSA-N	536.562	5.605	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12	108090129	OAXAIOAMOHEUBO-OCSSWDANSA-N	543.408	6.140	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cc(Cl)ccc2OC)cc1OC	150474497	IWWZYSKNFMBQEY-AABVJFSESA-N	680.010	6.426	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	150544095	LPVPNEKBGNPKEE-IPPBACCNSA-N	707.262	6.309	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccc(I)c(O)c4)c3C)sc3c2CCCC3)cc1	163783539	CBDNKJLHLRFTAO-KPGMTVGESA-N	652.558	6.669	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795480	GZWWMLGJTJVBBK-OALUTQOASA-N	956.357	14.162	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1c(Cl)cccc1Cl	210368136	NGALQPHKRIYTLE-KKMKTNMSSA-N	532.474	6.433	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc2ccccc2c1	408599711	YVQLDHCYRRCJSH-CCVNUDIWSA-N	583.236	6.616	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408641697	LCCWWUGXQBCBHZ-FIRLOTFOSA-N	645.175	5.934	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@@H](Br)c2ccccc2)cc1)c1ccccc1	408687043	TZFAABYESHOHJR-AHKZPQOWSA-N	528.402	6.483	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	408712099	ZMIVZTDCESVDLM-NTFVMDSBSA-N	603.413	5.269	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408743791	BRCKOVPIHUHSMW-SXGWCWSVSA-N	672.542	7.594	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	408746288	YFPJIDOPYDYJMY-UYRXBGFRSA-N	556.254	6.735	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc(OC)c1OCc1ccccc1	408747597	QCKXGWXKFFOKLR-LQKURTRISA-N	556.400	5.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(I)c1OCc1cccc2ccccc12	408748346	CDYLPBNWOMDHHZ-OCSSWDANSA-N	580.422	6.195	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCc1cccc2ccccc12	408748697	GONOXFAMSZMOHR-OKCVXOCRSA-N	584.841	6.839	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(F)cc1	408749339	GAKIDNIRRZFYEW-KCSSXMTESA-N	610.423	5.404	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408764109	LFSQRWAHAGZHHX-IPPBACCNSA-N	569.253	5.868	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1	408781349	CGXBYPPMYJBUPV-YVLHZVERSA-N	560.217	6.484	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408785183	YMDMOYHSOCUJOR-VYYCAZPPSA-N	500.608	8.645	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	408788531	KUJSVQLTPQJOKX-FYJGNVAPSA-N	628.317	6.912	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(I)cc1	408788851	MOSRFJBYCWAHPN-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1	408790014	QAJCUPZPRBNRIO-NHFJDJAPSA-N	528.472	5.078	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408791408	XFXKWPNKFYPVMP-CXUHLZMHSA-N	675.091	7.327	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1I	408791641	ADOMQWGMYQSVAR-RIYZIHGNSA-N	558.157	5.149	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408795189	UTDULCLNMINJLT-VCHYOVAHSA-N	607.231	6.509	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4ccc(Cl)cc4)c3C)sc3c2CCCC3)cc1	408806252	BJJABBWGVDHMJI-QJOMJCCJSA-N	569.130	7.794	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2ccc(Cl)c(Cl)c2)c1	408817837	UQJLVGIELLYUEH-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC	408818227	ZTGVVKWHFRUYTR-KSEXSDGBSA-N	510.182	5.519	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Br)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408827011	LZUZHHAMDKUELQ-CNCDYAKUSA-N	678.392	6.137	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408828062	KUPVOPHWUJZSKK-KULFSUQXSA-N	631.120	7.037	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1O	408839378	RJIYNMNKNXUKDJ-KKMKTNMSSA-N	604.857	6.290	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1ccc(C)cc1	408842951	KQYURACGKYZGJY-MEDVDGOMSA-N	547.611	6.029	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCC#N)c(I)c4)cc3)cs2)cc1	408846408	SIEOHDOXUBQGFJ-AMVVHIIESA-N	672.346	6.896	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccccc2)c1	408868598	PJJREIGACZGUGZ-ZCTHSVRISA-N	572.643	5.136	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2cc(Cl)cc(Cl)c2)cc1	408869041	RAFHHGGFSOZVGC-ATZGPIRCSA-N	616.954	6.880	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408877351	QUXWRUYLZOXHJO-PPDIBHTLSA-N	569.226	6.258	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408878707	AKLPOPYGLVAESA-LHHJGKSTSA-N	571.631	7.986	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408889382	FURNCCGMWNDUDS-RQZCQDPDSA-N	680.147	7.324	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(Br)cc1	408897358	RRDHBPOPEZZHTP-HBHSWBPBSA-N	712.386	8.101	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408898953	YOPCQNPELDGBKG-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1cccc(C(=O)O)c1	408904075	DJAWCRRDCUJXQD-QDTIIGTASA-N	629.363	5.385	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408906013	AEODKYROMZKGDD-INOZVXBCSA-N	558.462	5.779	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)c(Br)cc1OCc1ccccc1C#N	408913353	QDIFRXHZGYWJTQ-IPPBACCNSA-N	522.399	5.054	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(OC)c1	408941259	DKMRTMHXRJIVGY-SSEXGKCCSA-N	739.645	5.098	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1cccc2ccccc12	408943567	HVILYHHYSWWNIL-PGUFJCEWSA-N	648.785	6.032	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccc(C#N)cc1	408945898	LTRBMXSVLSDDIP-NDEPHWFRSA-N	697.011	5.438	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408949645	RJMTWQNRRVHQEU-MHZLTWQESA-N	832.342	6.825	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cccc(C(F)(F)F)c1	408963713	ORBSWJPUGIMCQM-VPUKRXIYSA-N	546.170	7.118	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408966111	ZAFTZNNVWDENRT-VWJSQJICSA-N	512.915	6.864	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)Nc1ccccc1	408966609	MMOJMVUBCJENBF-VFLNYLIXSA-N	550.331	5.258	50	40	KKGB	
COc1ccc(COc2ccc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)cc2)cc1	408982928	ZUQSIWWSWWJCBQ-AOYMVWLXSA-N	507.590	5.286	50	40	KKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(OC)c2)c1	409014441	PICOIZPSRLYBOL-GLJXUZQSSA-N	609.767	6.580	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)c1	409017714	SXABRWSKLKJGMV-CTXJTIKKSA-N	563.529	6.908	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Br)cc3)cc2)cc1	409034447	HEJBJEWLMNVFLC-XMHGGMMESA-N	598.453	5.703	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409037569	SVVPNENIJQOFPQ-DLCNMLRHSA-N	633.315	7.909	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	409043004	PBFPEZKZVSVFGM-RGVLZGJSSA-N	607.258	7.398	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409065565	JJIYUBUELWLVIW-OQLLNIDSSA-N	509.754	6.387	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1	409084480	MDHUCFXQTSIYQV-AWNIVKPZSA-N	556.711	7.912	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Br)cc1	409149062	WPWDJHTZMHNGFI-JOCHJYFZSA-N	573.285	5.529	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc5ccccc5c4)c(OC)c3)cc2c1	409188190	XHWYLUXQTPXQIM-KYHGBAKBSA-N	620.443	6.941	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1	409192080	UNJSDIVGKFJFMN-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409215201	YKYIMYWQIQLJEY-NVMNQCDNSA-N	595.220	7.548	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccccc1	409224337	KTEKVDVOMATPLU-UHFFFAOYSA-N	586.442	6.083	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	409227187	TYRNZGZSJDQKQZ-UHFFFAOYSA-N	680.309	6.664	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1ccccc1	409234736	XVWUHHLJKNFVHN-VBNMEBLOSA-N	577.249	6.961	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409235408	PLCJKSHEXZPBFO-NVMNQCDNSA-N	500.860	6.182	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccccc1F	409241151	JBVLZHSJVGHLKD-HAHDFKILSA-N	537.429	6.222	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409249506	ISUBYDAXWSCUJC-VCHYOVAHSA-N	554.828	5.983	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	409250034	MDKNHIFSURGWHY-DEKPZMAWSA-N	504.368	5.261	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409272561	ZZJBPRKBSIVHKV-UCMJSZAQSA-N	553.615	5.454	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C#N)[C@@H]1c1cccc(Br)c1	409315110	HVCAQVHYUATWID-OALUTQOASA-N	602.816	5.231	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2Cl)NC(=O)C[C@H]1c1cccc(Br)c1	409320173	ADHYRUNXMNVHTR-ZDUSSCGKSA-N	511.228	5.466	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OC	409321067	RNGXNCMSBZOXQX-APTWKGOFSA-N	589.486	6.917	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC	409327523	UULGZCJOCOQTLW-LPEPFOFCSA-N	689.279	7.882	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1OC	409328198	ZWOJJYHGJKPUIK-NUJZUDFISA-N	521.828	6.787	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409351768	ZDCRKZBHMKKJLT-VPUKRXIYSA-N	602.231	5.887	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OC)c1OCc1ccccc1	409384938	GTQDNUFPXBXJDD-LQKURTRISA-N	501.564	5.890	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1cccc2ccccc12	409391148	HJZUPGXWHQNMEW-NHYZDEDTSA-N	514.625	7.100	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC	409391558	JRIOHQNIVYIFPI-PBTLCFMXSA-N	503.340	5.426	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409395051	JFZMIAGINBRUEG-UHFFFAOYSA-N	729.256	8.716	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)c(-c3ccccc3)c2c1	409396303	XOCGGPNMRRMEJL-UHFFFAOYSA-N	675.377	8.050	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409396976	DNDWNIFHLWOQRI-UHFFFAOYSA-N	616.855	6.963	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409397336	IUXYDSFOBVCUCF-UHFFFAOYSA-N	521.504	5.686	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397556	LEWIDYZRZQELHV-UHFFFAOYSA-N	575.621	6.562	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409398419	SXGODLBSJQMTPR-UHFFFAOYSA-N	551.986	6.509	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccccc1	409399198	IIICCOUZFPPFDG-UHFFFAOYSA-N	592.652	6.056	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1O[C@@H](C)C(=O)OC	409402238	JIFDUKQMUMIPHM-NXFITDAQSA-N	559.619	5.369	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccc4c(c3)OCO4)o2)cc1	409407247	ZEQWNAGGGPEAPC-HQDYHJHZSA-N	563.610	6.338	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2cccc(Cl)c2)c(OC)c1	1529548452	GSULZHZJZUZJLK-CKRMDNAKSA-N	749.027	5.417	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccccc1F	1529548914	PVSRQSALJOVZEJ-GHUOZWDFSA-N	616.715	5.018	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	2089566	OSPNVJTWSKVMLI-NGOKVRLYSA-N	541.007	6.345	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CC(C)(C)C3)cc1OC	2188801	YTIPOPWTVVLZGD-SANMLTNESA-N	528.678	5.847	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	2330902	CGVYTGAQEVVDFD-MIXNUDJGSA-N	522.457	5.779	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H]3CC3(c3ccccc3)c3ccccc3)cc2OC)c1	3117099	OAXJMOOQVQPBFU-CFHCZDQCSA-N	520.585	5.379	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(SC)cc1	8448473	SZMBXAUQSACLOO-VWLOTQADSA-N	540.670	5.759	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12	8843149	VAMSKFLRAJRGDK-OCSSWDANSA-N	511.525	5.204	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(N3CCC(Cc4ccccc4)CC3)nc12	9075506	PJCWOMNJTFLYRB-LYBHJNIJSA-N	517.658	6.136	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc2ccccc2c1	13564579	VBJNLNDDGAKPGM-VEILYXNESA-N	514.701	6.769	50	40	KKGB	
ClCCN(CCCl)c1ccc(C2N(Cc3ccc(Cl)cc3)CCCN2Cc2ccc(Cl)cc2)cc1	19325344	JATHNCPXIUJFKO-UHFFFAOYSA-N	551.389	7.684	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c(OC)c1OC	19849153	NUNXAHNGKNBCAE-MUXKCCDJSA-N	525.030	5.006	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	20347802	WKEBEQWUSHSARG-RUZDIDTESA-N	520.010	5.744	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	37390778	RQAMWMVDVODGSK-YSMPRRRNSA-N	512.360	5.028	50	40	KKGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(CSc2ccc(Cl)cc2)cc1	59473785	JYCFZXGUYZFWRD-OPEKNORGSA-N	503.805	5.887	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(I)cc1	59857438	LKZXFELKMCTSRM-OVVQPSECSA-N	595.890	5.297	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	59858609	SVVYVDRKIXLTKD-MUFRIFMGSA-N	539.963	5.103	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc(OC)c1OC	97962165	RALZHBRDXKWJGP-BIZUNTBRSA-N	540.572	5.128	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nc3ccccc3s2)cc1CSc1nc(C)cc(C(F)F)n1	97965693	ZCGLQIIJGFHWFJ-VQFVUHPTSA-N	559.689	6.264	50	40	KKGB	
CCOC(=O)c1c(N/N=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)sc(SC#N)c1-c1ccccc1	97982627	QXIKQACLGQGHIN-COEJQBHMSA-N	557.579	6.374	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100989376	IJJTXKWEZWLESD-YDYXIROLSA-N	552.881	6.476	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)N=C3CC(C)(C)CC(O)=C32)cc1	102598359	HYYNMOPRWMEXAK-DEOSSOPVSA-N	508.043	6.626	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC(=O)Nc1c(Cl)cccc1Cl	102990212	BKDDREBXRFWBMJ-OQLLNIDSSA-N	598.792	7.237	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	103570757	WWRAAPZGUBJJSJ-HQDYHJHZSA-N	538.648	5.339	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2-c2ccccc2)cc1	103886989	PTSLQYWFOHNWLO-JBASAIQMSA-N	551.646	7.842	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	103888977	OOAZEDQQRSJZIB-ZROIWOOFSA-N	529.292	6.156	50	40	KKGB	
COc1cc(/C=C2/CC[C@H](C)C3=C(c4cc(OC)c(OC)c(OC)c4)C(C#N)=C(N)O[C@@H]32)cc(OC)c1OC	104318072	BIYWMOLCMUADFB-QVCSRNOOSA-N	534.609	5.098	50	40	KKGB	
O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc(Br)cc1	104413454	GQIFSYGVTGISMB-RREIPUBJSA-N	521.478	6.959	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc([N+](=O)[O-])cc4)(c4ccccc43)[C@@H]2C1=O	112255007	HLVXIFWXKAFHRS-AUJFUKTPSA-N	605.050	5.452	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342040	UWRIJLIFALSCAS-REOHCLBHSA-N	642.009	7.752	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	150385711	FIFJXFXXZRXGIS-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	150409131	FYJISTMFVGGHFD-VPUKRXIYSA-N	627.116	7.616	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	162392898	POTNEYPSDNMNRK-IVGSBCDZSA-N	673.113	5.961	50	40	KKGB	
O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21	245231653	HLLGIHOHYYUOEV-COWRSKPRSA-N	525.970	6.240	50	40	KKGB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)c5ccc(N)cc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C	263596551	FTXMPGMBARZGMX-SUIGFTGSSA-N	858.942	5.100	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br	408537941	IIHOXPMFMQPGKR-PDGQHHTCSA-N	520.265	7.025	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408570358	UGPIBOORZZHDJL-IUXPMGMMSA-N	522.330	5.814	50	40	KKGB	
O=C(NNc1ccc(OCc2ccccc2Cl)c(Br)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408601501	BDYHACBTVQEPQO-INIZCTEOSA-N	549.252	5.831	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(N5CCOCC5)c(Cl)c4)cc3)[nH]c2cc1C	408606121	OIBQODZSOOSTTC-PXLXIMEGSA-N	542.039	5.751	50	40	KKGB	
O=C(NNc1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408607590	NHEUWTBKFUVEAN-HNNXBMFYSA-N	549.252	5.831	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408641619	KRXCOVOWCKZKEU-NFYRHNLVSA-N	772.938	8.331	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1	408643646	PXNMAVZJRPWDBN-NGSHPTGOSA-N	767.254	6.383	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)ccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408646114	VNRQMXSVSYZWJB-WLVWHVFCSA-N	638.740	5.033	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408653904	QCFNACDEFYSRIN-BRORTUQTSA-N	661.944	7.262	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1cccs1	408661565	XJAVEGCGXJZPCE-JYUSNPHGSA-N	635.161	5.073	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(I)cc1	408711869	OKZJWTNBGMNCME-YPXUMCKCSA-N	776.965	7.150	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1C#N	408727912	YOSCTRHMULYNLJ-RGVLZGJSSA-N	535.341	5.296	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cc4ccccc4cc3OC)c2-c2ccccc2)cc1	408741164	HFCUPTYCXCUSAA-XPGZBYHPSA-N	565.673	8.136	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1	408752235	GYJGDAKOFUGSQZ-LDADJPATSA-N	557.422	5.088	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408754890	OXHRVZLZCLPRAT-WJDWOHSUSA-N	698.289	5.674	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1cccc2ccccc12	408759460	FJPRWTQQSFGMDM-XKZIYDEJSA-N	561.863	7.779	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc2ccccc2c1	408764864	NMVXATQIQKVHJH-UDWIEESQSA-N	578.400	5.824	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408766466	RBNUPODPYQOHAT-PXNMLYILSA-N	683.094	6.849	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408766916	WWTXWDIGYZEMBC-MWBNBJEGSA-N	586.608	5.808	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(F)cc1	408790692	XRNJDUOLWKCTMC-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408793060	CWNJUJNKMHQHAK-CXUHLZMHSA-N	628.091	7.485	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408793861	QOAVNWIBJRMZTH-CXUHLZMHSA-N	611.636	6.971	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1ccc(Br)cc1	408795116	LIECBDZKJRSWKY-XDHOZWIPSA-N	586.280	6.744	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2c(C)ccc3ccccc23)cc1	408802461	YFIZZPDOMZGTBO-LFVJCYFKSA-N	506.558	6.068	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408810945	LOQVASPTWUJMTF-KQWNVCNZSA-N	545.630	8.370	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(C)c(C)c1	408813652	YHNUKRITFRZXMG-MTDXEUNCSA-N	518.613	7.016	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1cccc2ccccc12	408816693	ULJJFIXLFRKPPD-CEUNXORHSA-N	532.640	6.778	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	408824385	HILRJYPDVJJSKF-OEAKJJBVSA-N	685.345	8.310	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408828617	NHUFKQOWAHABDT-DMWKKASYSA-N	668.386	6.682	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408831618	WGEAYTVXEOUENE-FADJLKOXSA-N	553.106	6.001	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408832170	RLMPRHBLEKDORF-BJUCDSOZSA-N	663.967	6.118	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OCC	408836750	VCFAFBUWLRIGNI-KGENOOAVSA-N	612.851	6.480	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408837001	XQPVGEFSEKYOHT-LPYMAVHISA-N	598.313	9.004	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(C)(=O)=O)cc1	408842478	POBMOVDKORHMRY-VFLNYLIXSA-N	645.359	5.268	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc2ccccc2c1	408845373	MPMRJIAFACILQL-BVMLUPFRSA-N	563.835	7.353	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc2ccccc12	408847562	NLSMMZSILQQZTJ-UHBFCERESA-N	529.390	6.700	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408849363	XZDSMBVLOFQCRC-MLJNOAGSSA-N	580.065	7.190	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408850997	UAZIHJRFURSQCA-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	408861469	BAKHAYXPRXZNKZ-ALQBTCKLSA-N	666.594	6.008	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ncccn2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408862396	JDEZMUHBCMJQOO-YPXUMCKCSA-N	556.269	5.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408867510	LEEDPYIPSUTIFN-VCHYOVAHSA-N	637.352	6.742	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)cc2)S(C)(=O)=O)cc1C	408870049	VDJQZHLPUPKJBF-HNSNBQBZSA-N	576.118	6.266	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3cccc(Br)c3)cc2Cl)cc1	408882676	QANNLNPJLIDRHH-BRJLIKDPSA-N	542.238	5.596	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408889169	ALFOJRRZZBZGMG-YBFXNURJSA-N	636.895	6.274	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1cc(C)cc(C)c1	408889551	FDAJVADNBGKTJM-ZMOGYAJESA-N	533.466	7.206	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl	408894934	JVALYABQUVNZHK-LFIBNONCSA-N	516.178	6.521	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OC(=O)c1cccc2ccccc12	408895997	OUDVGERBNLGWKS-MUFRIFMGSA-N	533.378	5.603	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925832	UDQIVKKECMGDBF-SFQUDFHCSA-N	560.415	5.274	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408947538	AZVBYILIUQIIGP-JCJNOXTJSA-N	750.430	6.072	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCCOCCOc3ccccc3C)c(Cl)c2)cc1	408969902	WOUSRCJHHRCQNO-RCCKNPSSSA-N	541.431	6.331	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccccc1Cl	408972469	UDBAYXRIRFJSBO-VURDCNJBSA-N	552.071	5.296	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC#N)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408995061	IJLLATBRAVIMIJ-KTZMUZOWSA-N	550.034	5.470	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1	409004537	DLVBWBCQPMUDQG-PTPMOJDYSA-N	589.431	6.604	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	409023119	KYSJXKVOGQDUER-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl	409025504	VZEPHPJTVWRMFS-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2I)c1	409033416	FENZOMYGJOAYJG-APTWKGOFSA-N	597.456	7.158	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCC(=O)O	409036948	MNCAQRQGKZFNGO-FDVSRXAVSA-N	548.393	5.290	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409088098	FHSZXLVVXOWNOZ-CPNJWEJPSA-N	553.493	6.784	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)COC2	409126029	NOIREJPROSQIPF-UHFFFAOYSA-N	534.193	5.769	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	409177319	DMWAUOMIIAGLDW-ARJUDPSDSA-N	607.022	5.223	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1cccc(C)c1	409191837	OKKDPURIYPAALF-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(I)cc1	409201274	LDHNKPBTFXDAFT-MSXFZWOLSA-N	523.827	5.595	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(I)cc1	409213673	UIKFFJWWWOIQTO-XODNFHPESA-N	706.771	6.769	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Br)cc1	409223814	IHUKWRISWJBWIS-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc2ccccc2c1	409228919	HDZXEDLNZIHBTR-MUFRIFMGSA-N	500.624	5.467	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccccc1	409239246	CRLZOZCQMRHRTA-JLPGSUDCSA-N	519.439	6.083	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)ccc1OCc1ccccc1	409248086	BVWXABWPWJTRHH-AEUUOICLSA-N	695.408	7.279	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1	409258926	WCDVJCLXFJALHZ-VKABLRQNSA-N	512.393	5.084	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409268562	VVFUPILENKBHFL-LPYMAVHISA-N	503.986	5.288	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1OC	409311715	HEVDMCWGKAZKJM-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OCC	409326043	FXFCEQJLXRDCIK-MWLSYYOVSA-N	579.458	5.497	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1	409373404	RPKBKXKUZDDACD-VYYCAZPPSA-N	593.805	5.523	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	409373537	UPKPVMJRKVBWIP-ROTLSHHCSA-N	503.298	5.082	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccccc1	409387892	XYKCNKSBFWYEHE-MZJWZYIUSA-N	509.971	6.205	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409394601	CQWBLEFKJLEMBG-UHFFFAOYSA-N	715.320	8.370	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)c1	409395096	JWIKGEKXRFOFLU-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)cc1	409395192	KUYWZBVVCAIOPK-UHFFFAOYSA-N	604.863	7.681	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)cc(OC)c1OC	409395474	NZOTVDRHPUSMIQ-UHFFFAOYSA-N	652.918	7.804	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397150	GWUSXLRWRONHIZ-UHFFFAOYSA-N	648.499	7.159	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397369	JEALCBMUSZHKTR-UHFFFAOYSA-N	547.611	6.534	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)OC(C)C)c(Br)c3)o2)cc1	409407445	ZTZBFXUWDKLSDN-UHIZKJEFSA-N	642.934	6.776	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	1241564	NMIQBCLCFCFIGG-SANMLTNESA-N	514.676	6.072	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	2096761	FZYFDNMRQOCOBX-KGYDHQQDSA-N	583.117	6.956	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)sc(C(=O)OCCOC)c1C	2385596	LZSGDPCZNONDQI-AQTBWJFISA-N	525.652	5.753	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(NS(=O)(=O)c2cccs2)cc1	6141790	ASHKGBNONQELEA-WGOQTCKBSA-N	533.660	5.227	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc4ccccc4nc3Cl)cc2)S(C)(=O)=O)cc1C	19937075	YWTDXCZDOREBDG-MUFRIFMGSA-N	521.042	5.235	50	40	KKGB	
Cc1cc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)ccc1Cl	32581115	PISACEMMTACSNU-YPAHDUIOSA-N	501.768	6.061	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1c(Br)cc(Br)cc1Br	97961025	GLNLVSGXNBYJKS-PGGKNCGUSA-N	605.512	5.651	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1	98048700	YRPIWPURGXFYAF-HHHXNRCGSA-N	545.064	6.055	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)c1	100330386	NILAMVYGVLOEHT-FDAWAROLSA-N	625.545	5.219	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	100503784	KGQABTBKQFKAHU-RPPGKUMJSA-N	611.084	5.722	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Cl)cc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852183	RYMJJAPKQORYCD-ACXHZZMFSA-N	552.531	7.089	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1OCc1ccccc1	100858830	MKUIGFZSMLVCLP-KMUKQRDJSA-N	624.788	6.464	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1	100869155	SDVRMFMVNOUNMT-HEQFHQOESA-N	532.021	5.582	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1	100988912	MJVKEZNDDPTAJQ-IDJUBOEBSA-N	536.484	6.984	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	101273175	JUVRCMGROBMSGV-JGCGQSQUSA-N	630.166	7.033	50	40	KKGB	
CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1	101556067	JEMSSIMGHJKQKQ-JJIBRWJFSA-N	570.652	5.039	50	40	KKGB	
CC1(C)[C@]2(C(=O)Nc3nc4c(s3)CCCC4)CC[C@]1(C(Br)Br)[C@@H]2Br	102729781	CBGCKYQNLWIFBQ-YMRXKLBXSA-N	541.147	5.646	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)N=C3CCCC(O)=C32)cc1	102882533	MUQWSACSDCJYCQ-VWLOTQADSA-N	508.043	6.688	50	40	KKGB	
COc1ccc(/C=N\NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1OCc1ccccc1	102979010	SIGCHSNTHZGGOC-RGXNXFOYSA-N	557.672	5.167	50	40	KKGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=O)c3cc(S(=O)(=O)N4CCc5ccccc5C4)ccc3Cl)cc2)c1	103042192	MGECBYUQNOBAKS-UHFFFAOYSA-N	632.182	6.173	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1Cl	103843805	OXVRUJKYSOBYBL-NHDPSOOVSA-N	613.339	7.481	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2ccccc2c1	103889906	UBFVFBPBRUVJBD-MTJSOVHGSA-N	582.281	8.042	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@@H](CCI)[C@@](C)(CCI)[C@@H]3CC[C@@]21C	104131309	KXOSGSAMSSIDCR-ITFJDIAESA-N	626.489	9.574	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)cc1C	104696673	HDFNIWMRTRPODY-SYECIKCMSA-N	536.701	6.249	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc12	112255876	WYDHDDGORNGRBL-MUFRIFMGSA-N	548.393	5.791	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	164589645	MKYSKPVUJLHCIC-SEBMTOOBSA-N	653.001	9.735	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164701534	FZNOIGVXPDESSU-BKUYFWCQSA-N	720.305	5.639	50	40	KKGB	
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[C@H]2CCC[C@@H]2P(c2cccc3ccccc23)c2cccc3ccccc23)c1	222411872	BVCVBGLXUGAVAF-QCQKNFEBSA-N	622.773	10.350	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)CCC)CC[C@]4(C)[C@@H]3CC[C@]12C	253499490	ILSFDWKMTIXYBP-CRRVAMEZSA-N	521.295	10.352	50	40	KKGB	biogenic
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408569028	YDRNLVHPRJRJRQ-PXNMLYILSA-N	527.191	6.870	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3cc(Br)ccc3OCc3ccccc3)CC2=O)cc1	408601157	AEZCTAIXXVULLP-HXUWFJFHSA-N	508.416	5.087	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408608256	OVSOTHCCFUJZQX-KRWDZBQOSA-N	548.854	6.121	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)ccc1N1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	408651612	NOZXBQLDBTWOAH-CYFREDJKSA-N	542.390	5.487	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408663318	YJCZULLNZDOHBI-WJNKUABFSA-N	783.684	6.884	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1OCc1ccc(I)cc1	408678335	XFXINDWORXEWMF-UZWMFBFFSA-N	609.508	6.362	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408689722	YXHICNDXEWTYGD-ZYGGUILKSA-N	623.556	6.126	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408711830	MVXCFRDQSGLSCX-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(I)cc1	408711851	NLCJZWUIDNUJAW-RWPZCVJISA-N	524.333	5.926	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1-c1ccc(-c2ccccc2)cc1	408724253	JAMCVGOUCJXFOR-HZQMBONKSA-N	597.118	8.511	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(C)cc1	408727026	WZJWDMPEKKFKCW-QRVIBDJDSA-N	566.439	6.740	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408741282	IAUZIULQBWETBV-HAHDFKILSA-N	516.428	7.526	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408743586	GWXDVNQYCNRLBW-IUXPMGMMSA-N	689.118	7.636	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	408744015	JDNLCSMABFTZKM-NHFJDJAPSA-N	514.028	8.319	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc4c(c3)OCO4)cc2Br)cc1	408744175	DIBWZQKIJHFYHZ-ZDLGFXPLSA-N	537.366	5.320	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc2ccccc12	408745840	AKNBKKUBFZMKRW-KQWNVCNZSA-N	527.418	7.126	50	40	KKGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408754178	ITQNZIMJUWGCOS-WKULSOCRSA-N	545.462	6.300	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408765996	YJLJLLMIIBOYLJ-VWJSQJICSA-N	556.928	7.231	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)c1cccc(C(F)(F)F)c1	408766301	BPLSBVNMOBVLBQ-QCDXTXTGSA-N	599.084	5.442	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cc1	408791379	WUZCZVLUQCDXGA-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1cccc2ccccc12	408793176	NQYYMSLLUXOVEW-VUTHCHCSSA-N	633.542	8.705	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)cc1	408796959	PYOULSJHEWBMCD-GIJQJNRQSA-N	560.673	7.298	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1Cl	408797053	QVOZYPBOLFYRAH-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)c1cc2ccccc2o1	408811323	BLHYJJWEPXWQSI-PPDIBHTLSA-N	654.096	6.905	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408812101	BDADATAOAGMWMI-UJZOWJBXSA-N	618.561	7.004	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(I)cc1	408820962	AWXZNEPLKDCICS-HMAPJEAMSA-N	568.411	5.501	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)c2ccc(C)cc2)cc1	408827150	GDZAISJHARMVSF-GZZLJNBRSA-N	586.739	5.705	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc(C)cc1	408831255	OZBGINVUOXYKGM-ZMOGYAJESA-N	652.372	8.777	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408834135	LBXOMAWYQOZJQQ-FDALDRLYSA-N	770.127	6.428	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC	408839291	QEXWJWRMKHEBRI-WUJNNNQWSA-N	658.505	6.110	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1O	408842999	LBKSATIQUXKNRH-UVHMKAGCSA-N	537.439	6.103	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3)sc2c1	408843407	MGDNQKADAKNCPG-UHFFFAOYSA-N	588.925	7.712	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Cl)c1	408844179	OUJUPOFCSSNZJU-QNVXDBMFSA-N	595.046	7.984	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccc(F)cc1	408848576	RRKSVBSMGIERAU-PNQUVVCRSA-N	591.448	5.925	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1	408851548	LBACZFBAUHGOJT-VULFUBBASA-N	502.796	6.236	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1Cl	408854119	YCYZJCWPFZCTOA-YBFXNURJSA-N	503.223	7.798	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408857368	GDUSKVPOWLNTFR-HASSKWOGSA-N	682.446	7.430	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408861034	LHKMVQXLLYYELA-AABVJFSESA-N	756.300	7.452	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1Cc1ccccc1Br	408869471	PPSPQTCDWPFRFO-LZYBPNLTSA-N	550.667	7.554	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(C)c(C)c2)cc1	408875829	LPVUEACOGCORNK-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc(Cl)cc1Cl	408878052	ZFTFWBALBBLHIL-NCAUGAEKSA-N	729.965	7.308	50	40	KKGB	
COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)c2)cc1	408880069	ITQOJXJNWFLZQM-LDADJPATSA-N	524.314	5.065	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])c1	408885583	CHDQYWKMHUBCQB-VCHYOVAHSA-N	585.354	5.341	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)c1ccc(Cl)cc1	408886938	KGLSKCMLNKXSHN-WYMPLXKRSA-N	572.662	5.397	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OC(=O)c1ccc(OC)cc1	408892125	BFWRAHNHFMGYRZ-YBFXNURJSA-N	627.391	5.680	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccccc1C	408895766	ODTLVKIHHYSDBM-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OCc1cccc2ccccc12	408899480	PRYFOASWOALEJC-YDZHTSKRSA-N	633.442	7.184	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1	408900622	WZMKQYALFGJVKI-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OCc1ccc(F)cc1	408921596	AVSJEIHGMMGGHO-WKULSOCRSA-N	554.359	5.935	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(OCC)c1	408945055	KAWINCRQQLNREX-GDLZYMKVSA-N	699.599	5.451	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)c(OC)c1	408947075	AEBDDAMYLRLDSC-BUXFWQKASA-N	734.637	6.709	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408956907	RSOJLQHQGFQHAG-LQKURTRISA-N	515.835	6.163	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1	408972744	WFHINQNQYOTABT-OTMDBINVSA-N	611.545	6.892	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408973385	YTROPBUYQMAZHY-VXEUHFJNSA-N	558.506	6.384	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc(I)cc1	408987234	FFVDOIWIEWEPBJ-XKZIYDEJSA-N	598.868	7.115	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1	408991300	NJOGWLDBSLAHEK-ZHSUKTGHSA-N	686.986	8.097	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1cc(Br)c(O)c(Br)c1	409003637	TXPYUQPXKYXWLQ-LSFURLLWSA-N	575.076	6.188	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccccc1F	409023496	FMRLFVRCDLSGAZ-NVJOKUIPSA-N	531.765	6.339	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(C)o5)(c5ccccc54)[C@@H]3C2=O)cc1	409031219	JIUWSFCVKDKVBF-OEYXHEATSA-N	559.622	5.343	50	40	KKGB	
N#Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409035246	JIPBACSYSILOAY-MWBNBJEGSA-N	551.433	7.423	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc([N+](=O)[O-])cc1	409035789	UEHGIAFFDRGNTP-DPNNOFEESA-N	658.452	6.766	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2OC)cc1	409037857	NZIQDOTXPSCYTC-ZSNJKBEMSA-N	638.518	7.193	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C)cc1	409052139	ILQPYWSWKABVCE-CCVNUDIWSA-N	515.835	6.461	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409066725	CHWWTWWZTOVCFQ-PXLXIMEGSA-N	537.037	6.007	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccc(Br)cc1	409072333	JRDRKCHSWJCXHD-KGENOOAVSA-N	500.396	6.706	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1	409076675	BSIRVBBAYARLNN-OVCLIPMQSA-N	602.195	6.674	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409086250	UWRIPCWUDKGBDK-HYARGMPZSA-N	565.548	7.696	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3OCC)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	409116705	KASIHGLVIZRICQ-BIZUNTBRSA-N	610.088	5.521	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	409136822	ZTIYTZNZAKYSCN-GRJIBALVSA-N	547.902	6.629	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	409144015	HWBKHVSLRBFQOT-LQZQPMPLSA-N	634.486	5.073	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409161980	YADKKPRGTNUDHR-KNBZMSCYSA-N	598.270	5.724	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4Cl)c(Br)c3)cc2c1	409188183	XFXZAXLMVIEVOT-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
O=C(Oc1c(/C=N\NC(=O)c2cccc3ccccc23)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1	409219235	OQDZJIAFTQJUQH-MNDYBZJGSA-N	507.424	5.750	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	409222588	CJBDYRGFNZOBKO-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409225147	OYNZHHBGMWJLTJ-UHFFFAOYSA-N	611.279	6.991	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)n1	409241359	RSJZYKPFXWEXJD-NSKAYECMSA-N	601.297	5.826	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409254267	YPAMMBGFBOLXFA-MOSHPQCFSA-N	519.985	5.619	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409255062	KHUWPQDLBJCQGE-NUJZUDFISA-N	603.311	6.009	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5cc(C)ccc5C)c(Cl)c4)cc3)cs2)cc1	409267838	WNFSXUCXQZDLSQ-VHFSBPNMSA-N	624.166	7.914	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2)c1	409270938	ISQDQNCVHHAWDS-APTWKGOFSA-N	561.667	6.644	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)cc1OC	409319793	LXQAFFHFQSZDSC-VYYCAZPPSA-N	562.258	5.962	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OC	409325329	XZCZPFNJMPUDBF-UHBFCERESA-N	631.467	5.187	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409364931	RMLJWPCVOCUEFT-UNOMPAQXSA-N	552.400	5.859	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	409371052	CTPRDXDKPOUGFJ-FDVSRXAVSA-N	552.812	6.436	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409385140	GFAGNGXPSBQXJN-KQWNVCNZSA-N	542.433	6.687	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)cc1	409395445	NQHVWNIGQWCNIB-UHFFFAOYSA-N	600.900	7.851	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397629	MCJGXZGYPSBRAY-UHFFFAOYSA-N	606.893	8.177	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc(C(=O)O)c4)c(Br)c3)o2)cc1	409401534	HMDQXWTVCNGPMB-RODHXAHZSA-N	721.402	7.832	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)o2)cc1	409406092	AHCOFQZNOLNJBO-DLCNMLRHSA-N	575.496	7.744	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3cccc4ccccc34)o2)cc1	409406754	CLGJNNPFZBEMGU-FIBXFRIOSA-N	683.002	9.178	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1	409410680	ZSOLVHCGNUXABI-UHFFFAOYSA-N	520.501	5.082	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)OCC)CCCC3)c1C	1529547909	RKYSDIQZCMNPCU-OGEPBOSOSA-N	677.849	5.096	50	40	KKGB	
O=C(NCCc1ccccc1)[C@H](c1csc2ccccc12)N(C(=O)CCl)c1ccc(-c2cnco2)cc1	2090608802	ZLCPSXKEQBUXRJ-NDEPHWFRSA-N	530.049	6.228	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	1864678	JMRNRFQIWMPEMN-KCSSXMTESA-N	599.072	6.317	50	40	KKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1	2203537	LQTSVAPGCMWCAI-HMMYKYKNSA-N	521.693	6.242	50	40	KKGB	
CCOP(=S)(OCC)SCc1nc(-c2cc(Br)c(OC)c(Br)c2)no1	2555938	OLQLIGSFFWLDEA-UHFFFAOYSA-N	532.216	5.801	50	40	KKGB	
COc1cccc(COc2ccccc2/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1	2737140	BPZWMAZSKBXKKO-BIZUNTBRSA-N	550.644	5.159	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)c(Br)c1	3143239	DFUOTVXAKMDNMX-KCSSXMTESA-N	587.426	5.725	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Br)cc1	4196317	BRAYMOLKWVUMDX-YBFXNURJSA-N	556.254	6.653	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@H](c3ccc(Cl)cc3)Nc3ccc(Br)cc3[C@@H]2[C@@H]1Cl	6445827	KFXQFKKNORQDIZ-RNBKDOAQSA-N	550.305	8.049	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	14361373	GLZJEJORZCPFIE-PBDAMEFISA-N	529.559	5.723	50	40	KKGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(OC)c(CSc4nc(C(F)(F)F)cc(C)c4C#N)c3)CC2)cc1	97965852	CRAOLVXZMZQPPM-XJECJHNESA-N	661.728	5.141	50	40	KKGB	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C(C#N)=C/c3ccccc3)ccc2OC)cc1Br	97982943	CALVTILDSNDTAR-QGOAFFKASA-N	556.438	5.203	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2ccccc2F)n1-c1ccccc1	98045833	AGQGZKJMJWFLOB-RXXZHPLBSA-N	614.488	5.562	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1cccc(Br)c1	100063645	PUHHVWPGIHKPNN-JFLMPSFJSA-N	569.308	5.876	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	100107365	FIHPHYDVEIQXJX-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	100124091	NYKSAIAWLNQFES-AABVJFSESA-N	607.029	6.251	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100240028	SWWLJAIAOGMGBC-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OC	100302282	VAKYCVPCQXHDGQ-OKCVXOCRSA-N	569.989	5.112	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3C)c2C)cc1OC	100304764	JLNQNEHTIUOHMB-ZXSNDDASSA-N	602.757	5.112	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1Cl	100336379	TXWLOYYDQVDOSQ-MFOYZWKCSA-N	579.221	6.731	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cc(Br)ccc3O)nc3sc4c(c3c2=O)CCCC4)cc1	100852492	LLQMPBMKRWIDNQ-QDTIIGTASA-N	583.533	5.345	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1cccc(Br)c1	100897653	WJQWIEFOACWHMB-NTFVMDSBSA-N	527.875	6.133	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1ccc(-n2ccnc2)cc1	102978958	FPMDABMLLKWVSE-UXHLAJHPSA-N	582.296	6.439	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc2c(c1)OCO2	103890654	FQSGBZPHQSCKRU-MFOYZWKCSA-N	590.257	7.008	50	40	KKGB	
FC(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342251	OEEHJXHJVAEWNT-REOHCLBHSA-N	742.023	9.022	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	162395888	WPHLKXGFAUFBPP-YSYOEVFLSA-N	677.076	6.169	50	40	KKGB	
O=C1N[C@@H]2CS[C@@H](CCCCC(=O)N(CCP(c3ccccc3)c3ccccc3)CCP(c3ccccc3)c3ccccc3)[C@H]2N1	195771779	YQGVXWZSNIQEOR-FZRAEROJSA-N	667.796	5.807	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)Cc3cccc4ccccc34)cc2OC)ccc1OCc1ccccc1	408538671	BLHKJKHNXNBYRU-DBSPGSINSA-N	595.095	7.361	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	408540122	NIOPAXHZAAXINK-NHYZDEDTSA-N	581.153	8.220	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(C(=O)O)cc1	408541323	CGILGOUHXIAJKN-NVMNQCDNSA-N	547.630	7.206	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCc1cccc(F)c1	408582730	PPLWIEPIGQFZFA-KEBDBYFISA-N	559.375	6.489	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccc(Cl)c(Cl)c1	408607624	DUEYSTROHZLCJY-IPBVOBEMSA-N	541.218	5.977	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408638339	CGDSIRWJHUYZSB-CZTZKLFOSA-N	551.829	5.711	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Br)cc1	408653438	PUMSWJUTBXCPND-KPIIRZJKSA-N	708.028	5.774	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(I)cc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1	408677201	PWZFJQDEGJRHPB-OKCVXOCRSA-N	676.296	5.711	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1	408735981	ZGWKSYCPBHFLDR-MHDJOFBISA-N	604.888	6.309	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408745461	MMQWDVXOKFHWCZ-PXNMLYILSA-N	705.117	7.336	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Br)c2)cc1	408745495	MVRGHKLADJTSMO-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)ccc1I	408747425	NSOKDSFWAARKQN-XODNFHPESA-N	620.241	5.285	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2Br)cc1	408748657	GCQWBHGKLXAOGL-JVWAILMASA-N	523.408	5.442	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CSc5ccc(Cl)cc5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751515	ROAMWPCOPXLQFM-VYIRWNMWSA-N	594.180	8.621	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408753016	KSZFZAXZUNRFOG-BOPFTXTBSA-N	700.292	5.526	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccc(I)cc1	408758081	GKPKQRWXUZGIFL-YHYXMXQVSA-N	547.972	5.067	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408759596	HQNGKHIFCFGFFU-IUXPMGMMSA-N	672.144	7.884	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1	408760147	SIPPECMIJCBEKO-BOPFTXTBSA-N	517.390	5.624	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccccc1	408760630	BZLKVUFVCMFOKJ-ODLFYWEKSA-N	556.254	6.735	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408762064	CIFAKSCALSWVFO-HMAPJEAMSA-N	562.420	6.609	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1	408783403	OSANELBVYRSRCD-BOPFTXTBSA-N	576.274	7.288	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1	408788897	GGNRBDSKXFQZAS-CAOOACKPSA-N	642.118	7.794	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c1	408791618	ZQRSDBGTKTXHET-QGMBQPNBSA-N	703.145	7.944	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408796685	POBKCVHXNGEHLL-LZYBPNLTSA-N	520.185	7.020	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccccc1F	408796882	ZJYHPLWQZIKCEN-UDWIEESQSA-N	600.384	5.740	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccccc1F	408798637	WFLMQOSURFDBDV-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)cc1	408799566	ZVOKURRBXRNOOM-UDWIEESQSA-N	586.401	6.352	50	40	KKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408819817	UCSWDXOZEVSTGV-NJANSZDQSA-N	532.276	6.392	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(c1ccccc1)c1ccccc1	408821128	CTJZVCIYYCJWBV-HASSKWOGSA-N	667.014	7.913	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408822562	CFAZUPRTAVIZRZ-LPYMAVHISA-N	642.764	9.113	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408830183	YHXPJEITCWLRBX-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OCc2c(C)ccc3ccccc23)c1	408836346	QGTPDPYBSDLONV-LPYMAVHISA-N	543.019	6.952	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408838234	TWRLDNKHMFDKHS-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC#N	408840075	XKSRUFVIJNNNQV-FJEPWZHXSA-N	623.476	6.142	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1)c1ccccc1	408842085	NXFBNMWQHSTHOG-BIZUNTBRSA-N	591.089	5.088	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Cl)cc5Cl)c(I)c4)cc3)cs2)cc1	408842337	JBUIXDWAJBBQSW-QNVXDBMFSA-N	713.428	9.116	50	40	KKGB	
O=C(N/N=C/c1cccc(Br)c1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408842412	JXXFPPBOEUKVTO-RPPGKUMJSA-N	557.813	6.242	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408843963	GGZFEELNYLXCGV-XODNFHPESA-N	552.252	6.263	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1)c1cc2ccccc2o1	408847215	MGNAMBPTAYXEHZ-ZMFRSBBQSA-N	622.200	5.985	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Cl)cc1	408848696	RZSUNSCFLAFSPF-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1	408852969	XUFOTWUOTLTENX-PPDIBHTLSA-N	562.645	6.954	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccc(Cl)cc2C)cc1	408856329	FRYFGVOIGZBGBG-FABQOPTDSA-N	623.106	5.459	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)c2C)cc1	408858667	KBUBPRVUKMIACA-KVSWJAHQSA-N	544.464	5.914	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2cccc(Cl)c2)cc1	408860504	XETWOPPLUXKHQD-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408891242	NIRZUBBBWWFOLQ-WOJGMQOQSA-N	571.995	5.277	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408897551	XZLGTDQGKYCIPE-LFIBNONCSA-N	503.363	5.315	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3C#N)cc2)cc(C(C)(C)C)c1O	408899576	QOHDMXVFNKCKGI-HNSNBQBZSA-N	542.636	6.642	50	40	KKGB	
CCOc1ccc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1I	408904532	LAIRJAVGIPCHDJ-UHFFFAOYSA-N	521.786	5.515	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1I	408904633	MLPGJQUKOBFDIQ-AQHIEDMUSA-N	639.082	5.222	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(I)c1OCc1ccccc1C	408923615	JTCWFKBJWZIIJW-CCVNUDIWSA-N	623.285	6.112	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408941106	JTXTVUSUNLBOIB-GLJXUZQSSA-N	716.551	7.377	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408948157	CFRQDWLRUYTTKF-IDDHRHHISA-N	675.953	5.955	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2cccc(C)c2)c(OCC)c1)c1ccccc1	408979044	KYIOJTNQISAUBY-AIHMMONASA-N	503.599	5.300	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1cccc(C)c1	408994381	ZHNKILFFIYZNMG-PCLIKHOPSA-N	501.026	7.209	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)cc(OCC)c1OCc1ccccc1Cl	409010215	BGGUYICLGMHSJR-AUDFQMKGSA-N	654.207	6.920	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409015333	OSOURCYKWVPUCV-HOKMHICDSA-N	530.452	5.930	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	409021838	BHZDBALMRNMZSJ-YNFMAFFXSA-N	559.247	6.412	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(F)(F)F	409023721	DEPZDTXXHLEDFS-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	409038541	PCJCGXXPQYSKNJ-ATZGPIRCSA-N	599.416	7.055	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	409040161	SKXRWEJVBSEDEU-KBVAKVRCSA-N	640.547	7.418	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Br)cc1	409049191	YDMSUCIZWVDPRF-DLCNMLRHSA-N	659.334	7.468	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1	409050009	RYIBTFVJOSGYNV-VCHYOVAHSA-N	503.621	7.508	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)cc1Cl	409054116	RMNJDSYQRYSACO-DHRITJCHSA-N	504.755	5.596	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409071179	FQQXLPIGUAFPGJ-JJIBRWJFSA-N	516.619	5.744	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409084121	PGUAYEGTANCHRI-DPWJMMOYSA-N	683.330	5.214	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)OCO3	409088560	KLNKJJMGVFCWAB-HSZRJFAPSA-N	546.204	6.282	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1	409217202	AKHFOULBBOUXHE-KGENOOAVSA-N	578.463	6.118	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c2)c1	409223757	IUYDWINBMDVSHV-UHFFFAOYSA-N	635.312	6.755	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccccc1	409264613	LKCIXPNWWKHLBR-KVAAJVFYSA-N	616.530	7.642	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1	409272261	PKKSZFWPNKTUFQ-XCHWQBBTSA-N	526.420	5.474	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1C	409272626	RBWPUFWKAPONBG-QJOVZPHJSA-N	619.747	7.351	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1OCC	409309191	CSIIFFUKVOYGMT-ACXHZZMFSA-N	647.364	6.489	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1	409312475	LIGAEPPWKNMMNZ-MRXNPFEDSA-N	535.261	5.231	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(Br)cc1	409358052	JWZMKSGHKWZADR-KBKYJPHKSA-N	645.971	7.080	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1	409364852	NERRWWOPTBXZSE-NDENLUEZSA-N	515.778	6.986	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	409373155	NBULEXKFZZKPAA-ATZGPIRCSA-N	529.423	7.651	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc(F)c4)c(I)c3)[nH]c2c1	409374651	VTUZFSUHYUBKAM-ZDLGFXPLSA-N	509.322	6.258	50	40	KKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc1OC	409377342	GOQJFKFKEXNHOZ-ABTNGYCASA-N	534.632	5.520	50	40	KKGB	
O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409378359	OQPCLOJULUUTKD-IZZNHLLZSA-N	698.899	5.196	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC	409384720	FIQXHCRBTIDGDG-LITAXMHPSA-N	553.378	5.364	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(I)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	409384926	GMGJKRAYDYRVSD-DHRITJCHSA-N	557.369	5.757	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cccc4c3-c3ccccc3Cl)cc2OC)cc1	409398101	QMSOZNDFHBVCRL-UHFFFAOYSA-N	568.029	6.797	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409401570	HOADWFPJGSCGOK-AEVGBRMKSA-N	689.538	6.958	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(Cl)cc1	409402217	JCTFWUNGZJVTKG-KOKCXWAISA-N	686.121	7.008	50	40	KKGB	
CN([C@H](c1ccc(C(C)(C)C)cc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C	1857795085	LDRFSVNOZYUAIR-FOEBFOTMSA-N	541.741	7.226	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	2056970	KWSCMEPWIIIRPL-MHWNKARISA-N	565.432	6.380	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\NC(=O)[C@H](Cc1ccc2c(c1)OCCO2)c1ccccc1	4822151	SAGRAXWLSPQSAK-UMBOUTFRSA-N	540.491	5.527	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)[C@H]1c1cccs1	6015260	SFMARMGOTNNZJD-VWLOTQADSA-N	580.529	6.470	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1	8386656	MOSXFOSRZTZIEB-FMFFXOCNSA-N	576.118	6.388	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCc3cc4c(cc3Cl)OCO4)N=C3CC(C)(C)CC(O)=C32)cc1	9243612	FKGYNFHIENNNGT-DEOSSOPVSA-N	509.027	6.916	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CCCC2	9404101	APCFYQLDRNFPGK-SSZFMOIBSA-N	514.525	6.628	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	13425505	LYKCOUAYJZOSIP-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)c1	16735986	QNZFCULNEWFNPH-NBVRZTHBSA-N	515.367	5.412	50	40	KKGB	
COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1	20059833	GZFZFEONKDEEIB-UHFFFAOYSA-N	513.704	5.976	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1C	28216923	LNMOMMIWASAOQR-KBVAKVRCSA-N	502.083	7.421	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)c1	58914946	OJOMRENXIBMWGN-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4ccccc4)cc3)cc2)S(C)(=O)=O)cc1C	59856099	IQZRMEXYWQUFES-UZWMFBFFSA-N	555.656	5.253	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100125019	UXDWJUAOAWNZMZ-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1	100214899	NHIUWBAEYJUSGI-ZVHZXABRSA-N	590.315	8.052	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)cc2)CC1	100290319	IUIOAGPMIXCZLE-JEPNHJGPSA-N	590.555	6.496	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2cc(C)cc(C)c2)cc1OC	100304148	BFDMVUFQYNPQJQ-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OCC(=O)c1ccccc1	100938560	YGRFPFPAHFNCDR-XKZIYDEJSA-N	520.566	6.251	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1	102718607	HFRZULPLWAJCGY-MUUNZHRXSA-N	559.091	6.445	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1OC	103583552	VACDVYURAVLHAW-AJBULDERSA-N	563.496	5.109	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\CCCC/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1	104057251	XVDFNYAOWFVBEG-MXEGIGMXSA-N	544.398	6.573	50	40	KKGB	
CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341509	QYRXIVCCQGSUDP-LLVKDONJSA-N	1000.300	14.142	50	40	KKGB	
FC(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341993	NZKFGTULCMWSKI-REOHCLBHSA-N	842.037	10.293	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C(I)I)CC[C@]4(C)[C@H]3CC[C@@]21C	150544355	JZAGLOUEHFUBBB-YIZNBMETSA-N	680.493	9.136	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(C)(=O)=O)c(OC)c1	162480547	CJDMIRHQOGFCBF-VVEOGCPPSA-N	675.385	5.277	50	40	KKGB	
COc1cc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	408538973	SFKTVPFKNUIQDH-UQQQWYQISA-N	535.556	6.307	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552123	OMUHMUSNOWSABH-ULPWCQAASA-N	555.245	6.480	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553342	VGISAUXJRHYJSE-SXGWCWSVSA-N	541.347	5.473	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408555250	WOHDOTIFDZYAFW-NVJOKUIPSA-N	565.251	5.854	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1cccc(C(=O)O)c1	408567654	GBEJGHAKXMTUPP-IUXPMGMMSA-N	569.330	5.657	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1	408570519	WICYRAVWQASAHI-VFLNYLIXSA-N	640.394	6.937	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	408579419	HEKUVJLOTHJMPT-WOJGMQOQSA-N	518.816	6.251	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408637736	AXTVASFYRJNZAA-NVPYSNMXSA-N	771.673	7.028	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408643827	GMVHKDSXSIIQPX-LVCYWYKZSA-N	554.257	5.836	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1Cl	408649540	LEJRHCDAFLOKGT-BZDUYGCESA-N	663.577	5.665	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408718420	NKLAPJVOZMJBNM-RWPZCVJISA-N	567.396	5.325	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1cccc2ccccc12	408724392	DXURCPNGODVZNW-PASRFSJESA-N	535.482	6.856	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408735866	XQOXZGBPVDMZFF-IBBHUPRXSA-N	693.410	5.527	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408743608	BKOAAFTWSCDPNN-MFOYZWKCSA-N	542.773	6.144	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408746220	CMOHYVGHICMCOQ-LJUMEUDFSA-N	639.300	6.085	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)cc1	408746293	RNFOFCPTKQKATB-MFOYZWKCSA-N	515.766	6.375	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1ccccc1Br	408762980	CYAJSEJURYRJNO-RCCKNPSSSA-N	533.403	5.916	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408787518	BDQSZXAAPFFOFR-CIAFOILYSA-N	550.409	6.443	50	40	KKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408801052	SKBORQJUNVAWAR-IREQLNLFSA-N	586.211	5.296	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	408813053	CZRVTGUXQRBXAF-JAIQZWGSSA-N	650.254	5.707	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(C)cc1	408819145	ZTDMZWBKQNQUJN-NDENLUEZSA-N	509.375	6.420	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408828994	MRACBBKVEKOLJI-LPYMAVHISA-N	642.764	9.113	50	40	KKGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408837430	FFTFCXCZCIWPRB-FDAWAROLSA-N	552.027	5.404	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	408837694	LJKNJVJOSZVFAJ-HNSNBQBZSA-N	652.567	5.699	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1	408841250	DVKKILHKBUSHLF-QNVXDBMFSA-N	697.394	8.215	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408843722	MVEHXGATEIVGFT-AABVJFSESA-N	711.819	8.315	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1	408849305	ZEGBWHAVOAPKRL-LRIZEKIPSA-N	661.543	8.553	50	40	KKGB	
O=C(Cn1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21)Nc1ccccc1	408850983	STGOXRGKGDBNBB-MUXKCCDJSA-N	515.367	5.553	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)ccc1Br	408852374	KBHCHYUOIZRPOC-ZRGSRPPYSA-N	529.232	6.438	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc2cc(Br)ccc2o1	408859388	WSHYBEWTGYXASF-LGUSAWBASA-N	698.105	6.634	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1Cc1cc(C)cc(C)c1	408865175	BLZYOKMWULLYJV-ZMOGYAJESA-N	517.467	7.218	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408868728	AZWKXUUWBIDCHD-FADJLKOXSA-N	618.155	6.771	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1Cc1ccccc1F	408869563	SOKSJXMTKQIWBM-CIAFOILYSA-N	554.403	6.582	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(I)c1	408882700	QGMHOAOGMKOSAH-BRJLIKDPSA-N	569.624	6.050	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1OCc1ccccc1Cl	408883213	UFUUKPOVKDMKOT-ALQBTCKLSA-N	551.127	7.311	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Br)c2)cc1	408885382	YZTVCDBJNXLAJC-UDWIEESQSA-N	510.229	6.657	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408893160	CVDZMOZXKHRJAM-XNTDXEJSSA-N	548.360	5.224	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408894424	HZDULRIHPRCFCW-CXUHLZMHSA-N	643.286	6.228	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(C)cc1	408899471	PRKZENCEWJNRTQ-UDWIEESQSA-N	524.358	5.733	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1	408913626	VSMGMGLTJJAJFO-FMFFXOCNSA-N	602.485	5.252	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OS(=O)(=O)c1ccc(OC)cc1	408921303	AHTDOZLMKBPXAN-QGOAFFKASA-N	650.345	6.241	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccccc1F	408921805	CCIKUNLMXQMOAE-LICLKQGHSA-N	564.238	7.418	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccccc1Cl	408947515	NUEPIHALUCVPLE-JGCGQSQUSA-N	677.223	5.931	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408971002	FQIQAUIUDHIGTA-KEOSLEJISA-N	521.489	5.288	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1)c1ccccc1	408978308	HZINMBFCJROYCK-INOZVXBCSA-N	558.462	6.299	50	40	KKGB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c2C)cc1	408980521	RRALARSXNLTTBJ-YSLFSMFASA-N	614.768	5.919	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	408983594	GSFHZKRAIVCFQW-IUXPMGMMSA-N	578.663	7.437	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OC	409029418	ARWAWROQEDJNBJ-RWPZCVJISA-N	551.466	6.487	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(F)cc1	409032301	CJYMPKPHQTZWCL-GXBUFBABSA-N	519.576	6.783	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1nc2ccccc2o1	409040687	HQHHFGQIYBHIOX-CXUHLZMHSA-N	528.175	7.135	50	40	KKGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1	409062767	ANJLEBPMIZGADO-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCc1ccc(Cl)cc1Cl	409073058	USLOAYNYOKVBLT-UDWIEESQSA-N	527.835	7.509	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079005	JRALQBCLBMALME-RQZCQDPDSA-N	576.325	6.400	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409168846	NGDJBGLYTBZSON-XKJRVUDJSA-N	608.276	5.179	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	409181467	BAKCHIDTNLWESF-FXDIDQDQSA-N	651.473	5.333	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409214005	WMFPVDBTEZRBSY-RPPGKUMJSA-N	564.845	5.841	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)ccc1OC(=O)c1ccc(Br)cc1	409218718	JYHCFHIMBSCWLM-UHFFFAOYSA-N	616.468	6.092	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409219635	OPUQSKOVSWDQSG-OFMQIWNESA-N	602.525	6.249	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3cccc(C)c3)cc2)c1	409220019	XMDMOPHRRSXRMB-MNBJERMJSA-N	536.544	5.447	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409221790	AZLCSXOQBMYITK-UHFFFAOYSA-N	522.344	5.822	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc(Br)cc3)cc2)cc1	409224135	KUFIRHCGBWNVJC-KYHGBAKBSA-N	590.861	6.646	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2C#N)c(I)c1)c1ccccc1	409244026	WMRAXOIJHXCNMP-VLZFXTDASA-N	533.369	5.526	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1ccccc1	409250575	XKHIPRDLUJYROW-OJSPLJLUSA-N	587.255	6.417	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409251366	PRDHVNUVCKLYDQ-LSCVHKIXSA-N	560.757	7.118	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409256812	NMRCZFRXQVSQNM-MTJSOVHGSA-N	595.437	5.788	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1	409259158	ZWNPAFFZFYRPEB-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1	409262900	KNKZHDPGVNJJOJ-FYJGNVAPSA-N	578.463	6.036	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OCc1ccccc1Cl	409358243	KUSGJXSPFSETRR-KVSWJAHQSA-N	628.692	5.857	50	40	KKGB	
CC(C)c1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409367814	LOZBSMIAHDZFTG-NUJZUDFISA-N	597.362	6.221	50	40	KKGB	
N#C/C(=C\c1cc(I)c(O)c(I)c1)Sc1nc2ccccc2s1	409383914	OTCVSWUECWDRAX-BJMVGYQFSA-N	562.195	5.868	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCc1cccc2ccccc12	409383983	TWBFIKAUEGAVLQ-FYJGNVAPSA-N	559.510	8.456	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409395135	KHFWKHTYVXEUIM-UHFFFAOYSA-N	714.241	9.267	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397891	PEWDQJINLYACLM-UHFFFAOYSA-N	629.669	7.006	50	40	KKGB	
CCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	409407360	FLGGTBPENQKWSN-FSGOGVSDSA-N	514.651	6.895	50	40	KKGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cccc2[N+](=O)[O-])cc(OC)c1OC	409407512	GMATXSZWEZPJQH-WBIBEUCMSA-N	668.659	6.183	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1	1529545662	ACRHRZIRHJUGBM-IBPXFIEHSA-N	652.560	5.329	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)sc2c1CCCC2	1885035	FCJJONIUFAHLOC-NTCAYCPXSA-N	582.501	6.773	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)cc1	1902025	ZSHYTUNWHIILBC-RWPZCVJISA-N	526.449	5.882	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1cccc2ccccc12	2705769	GWKGNTFIMQXHQO-MUFRIFMGSA-N	543.446	5.544	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	4045448	UFSSOVYOWKPYQS-FFYYKRJWSA-N	642.068	5.463	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)c(C)n1-c1ccc2c(c1)OCO2	4062801	RCNQUIYCAKADDZ-WCMJOSRZSA-N	535.629	6.454	50	40	KKGB	
O=[N+]([O-])c1ccc(-c2cc(/C=C/c3ccc(N(CCCl)CCCl)cc3)c3c(ccc4ccccc43)n2)cc1	8426890	RFLMLFOKGVKVGK-VMPITWQZSA-N	542.466	8.418	50	40	KKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3OC)o2)ccc1Cl	8812641	WNKLSUCVWBUFQE-BRJLIKDPSA-N	505.752	5.312	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc4ccccc4c3)n2-c2ccccc2)cc1	9379675	SVIRNNVRLQNXRN-COEJQBHMSA-N	507.619	5.729	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2	14151795	JDUPQMQOHBTHBK-WOJGMQOQSA-N	508.430	6.930	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc5ccccc5c4)c32)ccc1OCc1ccc(C(N)=O)cc1	59547260	OIJALYOZSBLQLD-NDEPHWFRSA-N	557.610	5.525	50	40	KKGB	
O=C(COc1ccc(I)cc1)N/N=C\c1c(OCc2cccc(Br)c2)ccc2ccccc12	98001579	AJTDZDXBTGGVOY-FDVSRXAVSA-N	615.265	6.315	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	98048881	IWLIOZBYGYPHEW-RUZDIDTESA-N	553.080	6.047	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)cc(C)c2O)cc1	100029584	SJXVERWVTARMKN-WNIKTKSOSA-N	549.469	5.231	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1I	100033354	RDIBFPYCURDWIX-ATKNFYHNSA-N	616.455	5.975	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1cccs1	100063626	IPWWZOSGMPHHRN-ZTKZIYFRSA-N	538.094	6.259	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100240095	JGBVKAIHSPIDDV-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nnc2-c2cccnc2)cc1	100859825	KFHDHAZUHXEBEE-HNSNBQBZSA-N	564.671	5.549	50	40	KKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	100993321	PCGMZCLUVBLMAA-ORBPGINVSA-N	522.457	6.675	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(O)CC(C)(C)CC2=N1	102893869	YHKPDHAYMGSMHA-VWLOTQADSA-N	531.634	5.759	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)C(=O)NCCc1c[nH]c2ccccc12	103844830	TVXRXLPJYNSIRA-JCMHNJIXSA-N	547.396	5.617	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c2ccc(C)cc2)cc1	211060536	GKQZXRWTQXLBMQ-XHLNEMQHSA-N	507.656	5.037	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c(C)c1	216040992	OMDLRXJVYXOTPT-ACXHZZMFSA-N	580.320	7.253	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC	408539749	YNSVRIPRSGOYQE-UYRXBGFRSA-N	515.404	5.749	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553580	OJLXVZPDQHTXNX-FXMZOFOKSA-N	585.669	6.199	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)cc1	408580711	RCWYDUFIYSKEAZ-YBFXNURJSA-N	547.268	6.660	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408608722	IJPNDSUJMQBIJP-HRXXRIAWSA-N	514.409	5.299	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408611915	SEZNQMWWQYDUIK-CCVNUDIWSA-N	500.382	5.232	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408650203	ZWBPXMRYMHEPGR-WUTPFUBCSA-N	645.175	5.852	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCc1ccccc1Cl	408711773	JWJQRGRCZAMNMY-RPPGKUMJSA-N	646.650	5.901	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3Cl)c2-c2ccccc2)cc1	408744742	ZQSFLIVAVANDKV-PPOKSSTKSA-N	520.032	7.627	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1	408745456	SMFHQOPOBNSWNM-WQRHYEAKSA-N	542.227	6.345	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1I	408747088	ZHULMONLOOOCNT-JYRVWZFOSA-N	527.156	5.007	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)ccc1I	408748069	XXEMEVMYRYXBQY-LUOAPIJWSA-N	634.095	6.712	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1	408755616	RBJNFQBSVSUZGN-RQXXSLPSSA-N	569.108	8.636	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)cc(C(C)(C)C)c1O	408760466	ZAOPXAPZFHLFQY-ALQBTCKLSA-N	655.577	6.692	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OCc1cccc2ccccc12	408763272	MLTUQRZSGOVHBQ-JVWAILMASA-N	577.478	8.279	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1	408772628	DSCBCPOBQQBWRN-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl	408791250	VFPQEHZTHVQLNE-UDWIEESQSA-N	525.388	6.060	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408794349	SAGJCOYPOYRACK-LZYBPNLTSA-N	675.091	7.327	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1cccc(F)c1	408795876	MWPWNAPLLRNUJS-KEBDBYFISA-N	509.375	6.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408796333	ORYCKAZKAAJAHI-GIJQJNRQSA-N	590.257	6.977	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(I)cc1	408798709	WSOTYPUWHCMGEO-CIAFOILYSA-N	678.308	7.036	50	40	KKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	408822046	AFDKJOHIFONTMJ-RCCKNPSSSA-N	521.411	6.371	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(C)c(Cl)c2)cc1	408826517	GXWOCESFSPXSHF-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(C)(=O)=O	408837677	LBFJDYDIWQJIAT-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408838389	FAHCKYQLEYVOHO-PTEHHBOZSA-N	701.813	8.859	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408844535	UDZRZJGKEYLGIN-FMFFXOCNSA-N	608.116	5.672	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1	408848231	UWCDRXSNQAFVQK-ATZGPIRCSA-N	613.051	7.007	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc2c(c1)OCO2	408849842	ZUMITDGMIZGOSC-ULPWCQAASA-N	616.262	6.428	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408855572	GGKSNFQDFBMHCV-STZFKDTASA-N	614.938	7.485	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	408858320	OGAOUWRGYYLMEH-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2cc(C)ccc2C)cc1	408859683	OXKDBRDGDKNWQT-HPNXWYHWSA-N	591.733	6.690	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1Cc1ccccc1Cl	408865230	BSIXVEWQOXINOU-CIAFOILYSA-N	523.858	7.255	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)c(OC)c1	408868497	AAHQYTOAQFDHQC-UFFVCSGVSA-N	511.405	6.121	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408874384	AVTFABUDQFGKLH-SSNCBAMGSA-N	552.252	6.181	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Br	408882987	PUOHJDJFYRXWHS-NTUHNPAUSA-N	509.154	5.373	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc(I)c1	408886840	MOBJVCRFFMIKNY-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Br	408887085	LXWBBQZPXLMZIL-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408888716	ZOLAXURJPUMSHF-VCHYOVAHSA-N	597.378	5.797	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OC(=O)c1ccccc1	408895468	MYCDQWZPIGXQGQ-DEDYPNTBSA-N	505.368	5.921	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408898782	XLVPYNGVGVYFPC-GIDUJCDVSA-N	537.186	7.333	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1	408899851	RCJXZAVTFTUBGQ-KEIPNQJHSA-N	565.467	6.568	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)ccc1Br	408904294	HPNCMQGHTXISGQ-RAWMCFOBSA-N	552.212	6.707	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)ccc1Br	408904995	RQYFAFDJVCHDJU-PPDIBHTLSA-N	537.292	6.632	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	408945174	KIZWZDFTWHDONZ-PSXMRANNSA-N	748.703	7.459	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408955202	TYQQXHSZOFHEGE-JAIQZWGSSA-N	508.380	6.459	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1	408957291	TZPGCRRQPHZOIJ-OQZORREDSA-N	652.704	5.156	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408964570	VHFWYWJIFGAGGU-LTMXGVCASA-N	619.343	5.966	50	40	KKGB	
CC(C)Oc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408972400	SXDZYXFSLJQYHZ-KSVFZKRBSA-N	621.359	6.188	50	40	KKGB	
CCCOc1ccc(Cl)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408974415	YXKYQORJJZJUPX-RYDQESHSSA-N	542.891	5.884	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408987633	GCRHDEHJSQBTQM-LPYMAVHISA-N	517.969	6.418	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	409004399	CLNVSWFKHQDQOI-VTABPWQCSA-N	561.550	5.596	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1)c1ccccc1	409004973	YNXMOEWDBVJYSA-KIZAIXKYSA-N	633.337	6.127	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2cccc(C)c2C)cc1	409026464	QDZKHOZXBZWGDN-OXALXDSDSA-N	612.752	5.214	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409036303	QUZBUVBTYQXQHD-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(C)C)c(Br)c2)cc1	409053941	DWCSULQJHSXJBU-OVCLIPMQSA-N	508.210	5.801	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)NCc1ccccc1	409084555	YEDMHUSHVWLDTL-LICLKQGHSA-N	523.299	5.281	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc4ccccc4c2)c(Br)c1)OCO3	409103302	VWNBKDCPDFLIIT-MHZLTWQESA-N	527.374	6.128	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	409121392	ZJIFFWFIWVQHGA-WCMJOSRZSA-N	681.383	6.351	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(Cl)cc1Cl	409125407	ACGXKNICAZTMKV-QHCPKHFHSA-N	563.279	6.073	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(I)cc3)c(Cl)c2)C2=C1CCCC2=O	409138104	ZZDQAYODUADHOI-QFIPXVFZSA-N	545.808	5.254	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409139077	MCDFGNKVZQWHRV-AREMUKBSSA-N	649.413	7.116	50	40	KKGB	
N#Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc(Cl)cc4)(c4ccccc43)[C@@H]2C1=O	409141522	KCBOOJAXXFPXSR-ZLKSVWBFSA-N	571.036	5.107	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1	409145341	OLTRBDNFJFDOTA-UVHMKAGCSA-N	629.758	5.215	50	40	KKGB	
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409178629	HDCZMUACGPUOAX-NGSHPTGOSA-N	658.299	6.171	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccc(C)c(Cl)c2)cc1	409186242	ZIEIMPZVPFUECE-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409189654	MHZBUHRNYLAVDO-HCNMGLPWSA-N	727.045	7.393	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1cccc(C)c1	409191885	PNMYKICAUBWEHY-LGJNPRDNSA-N	534.781	5.605	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409219509	NICJULDCORPHEZ-UHFFFAOYSA-N	576.436	6.628	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1	409227543	ZHBFQRYUTPVDNR-SFQUDFHCSA-N	510.775	5.666	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)n1	409228117	UHAUNIHSIDHIJH-NSKAYECMSA-N	784.199	5.729	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1	409232337	NXNSPRIMZFHRHL-VBNMEBLOSA-N	530.249	7.119	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1	409239522	NPODPXWSWHHUCS-HBEGMLAUSA-N	595.437	5.492	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1F	409241706	TWOGRTINNNSJOK-MFOYZWKCSA-N	549.318	6.740	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccccc1	409249131	SIPONSYNKWUSJR-QLTNSANVSA-N	538.385	5.663	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409253196	AVLVAFLPWYGAGQ-WKIKZPBSSA-N	577.806	5.043	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409254536	IVIDYBQEJDBENI-MUXKCCDJSA-N	544.833	5.591	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)c1	409254542	IVJJWYYWNVINFI-NVMNQCDNSA-N	528.823	6.827	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)c1	409256421	OLMHWPGURHPHJJ-QDTIIGTASA-N	500.382	5.400	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409259912	HOIMBTHGDATIKN-KULFSUQXSA-N	752.034	7.910	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)cc1OC	409327898	XUMAARAJTMSKTE-MUXKCCDJSA-N	605.283	5.400	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	409373619	RKWPDCOTJKRRGV-NTFVMDSBSA-N	518.367	5.782	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384368	BRIULMLANOIFBN-ORBVJSQLSA-N	569.253	7.766	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409387246	VJBPDUPUEVKBEI-XKJRVUDJSA-N	623.312	7.620	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396433	QJOLKKGVGTWGEM-UHFFFAOYSA-N	719.341	9.305	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409396579	ZDEZOWFYTXNZOI-UHFFFAOYSA-N	552.974	6.688	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409397643	MGARXWFDNSQQIY-UHFFFAOYSA-N	651.300	7.616	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(OC)c4)c(OC)c3)[nH]c12	409397715	NCSQTATXUXHGEB-UHFFFAOYSA-N	547.611	6.398	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397910	PJUHBCLRMQZAKN-UHFFFAOYSA-N	549.583	5.844	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398158	RGVSZPAINJHINV-UHFFFAOYSA-N	597.027	7.005	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccc(Br)cc3Br)o2)cc1	409400977	FVDSERRBDAVQHR-AEUUOICLSA-N	677.393	8.134	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OC(C)=O	409402985	YABLUGKEGYEJTB-MNDYBZJGSA-N	535.984	5.617	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409405352	SYCDQWPTUYJHFR-UKFZFBQRSA-N	628.907	6.386	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409405634	UDPOAIWRZGAZOE-MUKWFXSPSA-N	529.593	5.360	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)o2)cc1	409408807	LRKWOXOEEYNZEZ-BIKKEBSBSA-N	659.768	8.497	50	40	KKGB	
O=C(N=C(Sc1cccc[n+]1[O-])C(Cl)Cl)Nc1ccccc1Oc1ccc(Cl)cc1Cl	575318928	JLUPULGZBNXQLQ-UHFFFAOYSA-N	517.221	6.946	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc(Br)c1OCc1ccccc1	987167	BPVAKCABVHGYQX-JOCHJYFZSA-N	563.477	6.323	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	1102296	QYTHHCMHKYYZSV-MHZLTWQESA-N	528.703	6.380	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1N1C(N)=C(C#N)[C@H](c2ccc(C(C)(C)C)s2)C2=C1C[C@H](c1ccccc1)CC2=O	2090983	BXGVXKSQRFQERQ-WTYVLRPYSA-N	538.673	6.961	50	40	KKGB	
Cc1cc(C)cc(P(CCCP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1	2381443	XQPOLASIBOJBPP-UHFFFAOYSA-N	524.669	8.110	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(CSc2cccc3cccnc23)cc1	3228803	HWWDLZIQPOSMMD-HNSNBQBZSA-N	545.693	7.205	50	40	KKGB	
CC(C)(C)OC(=O)[C@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1	5124404	NRNKFFAUAOKNQZ-ZEQRLZLVSA-N	620.790	5.641	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	8812856	KKQLGTPIEHUXTH-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	14408869	RLTZGQPIHWFSFD-BRJLIKDPSA-N	503.194	5.137	50	40	KKGB	
COc1ccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1OC	27023440	KIPGYSLSLMBGQC-SFQUDFHCSA-N	508.024	6.859	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	39383593	KPBIKEJKWJVAPQ-LGJNPRDNSA-N	512.747	6.117	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(Cl)cc2)cc1	59647254	MGAOYMAWDNMSRW-BIZUNTBRSA-N	542.060	6.300	50	40	KKGB	
N#Cc1ccc([C@H](Cl)[C@H](Cl)c2ccc([C@H](Cl)[C@H](Cl)c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	68563534	SPXGECHQSXUQAE-NVPYSNMXSA-N	564.212	7.766	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cc([N+](=O)[O-])ccc3Cl)nc3sc4c(c3c2=O)CCCC4)cc1	97939509	VISJSNVMBJPXQZ-QDTIIGTASA-N	568.080	5.438	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(I)cc1	97972337	VDJGKXUVSUDUKY-CJLVFECKSA-N	530.365	6.569	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@@H]1c1ccccc1	98000080	JABYLKGUZZVHHM-MHZLTWQESA-N	578.616	6.421	50	40	KKGB	
COc1cc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)ccc1OCc1ccccc1	98048433	JYKOUKQDZZATBQ-JOCHJYFZSA-N	532.065	6.456	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(=O)OCc3ccccc3)=C(C)N2)cc1	98048727	GTNQHROCAVSRBD-MUUNZHRXSA-N	545.060	6.404	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccc(Br)cc1	100066473	HCAMZAJNAVWDNR-YUMHPJSZSA-N	585.325	6.092	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3c4ccccc4cc4ccccc34)nc3sc4c(c3c2=O)CCCC4)cc1	100852466	YGFDMEVWERJNTR-KMUKQRDJSA-N	588.758	7.183	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1	100991393	JLCXIRLXPSRUMP-GFPZRUSRSA-N	526.420	6.506	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1	102262817	MPZGLPTYDLRZCT-ATVHPVEESA-N	522.311	5.131	50	40	KKGB	
O=C(N/C(=C(\Cl)SCc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	102618689	GLFAJASMBHFRQX-YJKCNMNRSA-O	565.098	7.709	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1Cl	102719158	GRGDEJKGXXLARY-HHHXNRCGSA-N	563.054	6.194	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1I	102935070	LWLHFYDMGJSBKR-GZTJUZNOSA-N	549.195	6.723	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103883012	LCJSNUKWICKQFT-HMAPJEAMSA-N	580.866	5.635	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	103890830	IEFPVYGEDBNCAH-UNOMPAQXSA-N	587.257	7.517	50	40	KKGB	
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(/C=C\c1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccncc1	104292333	BLTDODXXLCRXRD-HCECIMKESA-N	611.687	7.122	50	40	KKGB	
CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341772	MLFMYRZKWBQAMT-KRWDZBQOSA-N	784.417	12.671	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1	150494811	YRSNSDVQWDLHQH-HPNXWYHWSA-N	671.617	7.025	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(Br)cc1	408532632	QPAHCVQGOZXJFL-ZDLGFXPLSA-N	642.072	7.301	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2OC)ccc1OCc1ccccc1	408538774	QQXTVPREIYGHOB-YSMPRRRNSA-N	569.057	7.369	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1C#N)c1ccc2ccccc2c1	408552430	UDPLMCIHWAODDZ-MSXFZWOLSA-N	638.246	7.564	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408555204	WICKETXDLAHJMW-OVCLIPMQSA-N	544.847	7.347	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408570654	XKQSUODHYGFJDU-WKIKZPBSSA-N	520.507	6.409	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408611708	RSZCQHOWVYOQSZ-IPPBACCNSA-N	532.811	5.879	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1	408652439	ONCWNXORRDQKIX-SDJAXVEPSA-N	799.321	6.088	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]21	408655421	RVHOKMBATWLXGY-HNJCYKICSA-N	551.829	5.567	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(N2CCCC2)cc1	408676646	LUNJXSNUSFGQSS-RWPZCVJISA-N	513.381	5.845	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl	408677613	AZPIQWSFZLPFDV-IOGQTDPRSA-N	589.781	5.124	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408688357	WCKIHPSYCCRGDG-FZDBZEDMSA-N	589.111	5.473	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408725262	JAFXESXTXSDMNC-ZDLGFXPLSA-N	556.800	6.534	50	40	KKGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1)S(=O)(=O)c1ccccc1	408726268	KTZIQNJNUSMVRJ-STKMKYKTSA-N	549.652	6.008	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2-c2ccccc2)cc1	408739436	BZOUMCGCZXVFOR-HPNXWYHWSA-N	578.068	7.171	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1	408744991	IVMAIJXXGDTIJN-MFOYZWKCSA-N	654.217	6.168	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)c1	408745583	SWQNSUKYOJDBOP-QRVIBDJDSA-N	623.288	7.640	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1F	408745670	UWKFTPGCFHNJJZ-ODLFYWEKSA-N	542.348	5.872	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2I)cc1	408752614	FHYLDYDRCFUPPW-NVMNQCDNSA-N	652.124	7.249	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408756143	UCINMXXXUVSFRN-YVLHZVERSA-N	638.097	6.941	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)Nc1cccc2ccccc12	408760166	STLGIHBSTHEDES-LTGZKZEYSA-N	526.390	6.165	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408760480	ZHKBZPRGOSGYEQ-NHDPSOOVSA-N	596.706	8.143	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)c2C)sc2c1CCCC2	408771337	HDUUEVAUZZWBAT-JCMHNJIXSA-N	531.678	6.544	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408773801	JFIGNYWRPLSSPP-STZFKDTASA-N	660.350	7.033	50	40	KKGB	
COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	408774501	LVGURDBMRVDVOU-UHFFFAOYSA-N	556.729	5.626	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408790627	XJYBGHLCTBVSKV-AFUMVMLFSA-N	737.335	7.471	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	408792832	CMPSQHCJPLVROD-SSDVNMTOSA-N	521.831	8.233	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1	408794435	IJLKDMPVXOLZHH-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408795376	KZBCIVUIGSXRKX-LZYBPNLTSA-N	658.636	6.813	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408800793	RBEZBQYQWZUNNC-NHFJDJAPSA-N	555.590	7.452	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408837555	IPCANLBMDYMTCV-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(C)c(C)c2)cc1	408838037	QVKMVMQAXAHGOT-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC#N	408838827	IYMYTZIVALHPCT-IBBHUPRXSA-N	657.921	6.877	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)cc3)cs2)cc1	408840846	CGHGNTCHTRHZGE-KCSSXMTESA-N	563.639	7.113	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2cccc(Cl)c2C)cc1	408841000	IBKJPIKTBYUUQD-VTNSRFBWSA-N	567.086	5.849	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)o2)cc1	408843011	PYTAGUCTWRBFET-JLPGSUDCSA-N	608.547	7.448	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)ccc1OCc1cccc(Cl)c1	408843040	QVPYCHKQJGZCIJ-RQXXSLPSSA-N	596.171	7.536	50	40	KKGB	
COc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408855920	HFSSFYCVUPMTIZ-MWLSYYOVSA-N	661.281	6.434	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2cccc(C(F)(F)F)c2)cc1	408862945	JLVCTTWCWLEUJW-WCMJOSRZSA-N	547.599	5.394	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408862968	JQFBPDFYRVJMLZ-KULFSUQXSA-N	755.902	7.741	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1cccc(C)c1	408867697	MGQJPLAVGIUHBC-FSJBWODESA-N	565.464	5.976	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Cl)cc1Cl	408872351	LLLAGPWSJFQRCY-KALUYTGESA-N	602.066	6.770	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cc(Cl)ccc2C)cc1	408873850	WEZFKCJCOIXQNM-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cccc(C(F)(F)F)c2)cc1	408877920	YCEQEWBECRETPO-MWBNBJEGSA-N	596.675	6.384	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1Cc1ccccc1Br	408878487	BFUSQLHLERJTSF-UDWIEESQSA-N	645.291	6.375	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2OC)cc1	408881221	KFDMPHJWXBGRGC-MUFRIFMGSA-N	580.378	5.445	50	40	KKGB	
Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)c2)cc1	408881724	MGILEMGBNYBDGJ-CPNJWEJPSA-N	508.315	5.365	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1Cc1ccccc1Br	408883350	PLEORUPNICIUKM-VXLYETTFSA-N	635.727	7.551	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(C)cc2)c(I)c1	408884132	XUJZRUUWUDPFMP-UVHMKAGCSA-N	640.259	5.864	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)c([N+](=O)[O-])c1	408890686	XQSJBTQABOANCG-RQZCQDPDSA-N	556.344	5.638	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccccc1	408905119	TYNQKOBQKMFIMU-VYYCAZPPSA-N	561.274	6.653	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1	408923365	IBZZYNLLVZHVME-VCHYOVAHSA-N	601.251	6.562	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	408924249	MGRVNDIVVJOIDS-XSFVSMFZSA-N	513.937	6.535	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408924700	LRKKIUFZUUKKHY-QXUDOOCXSA-N	622.143	5.980	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925676	SSQUYOIJORNOJT-VCHYOVAHSA-N	574.442	5.582	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1	408938397	LUTDOLWGHJXUKD-STBIYBPSSA-N	506.027	5.143	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	408943027	GXEHJQGOHOEFFM-PMERELPUSA-N	601.773	5.277	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1	408946966	NDUNNSQAJPIQTL-LJAQVGFWSA-N	716.054	5.965	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCc2cccc3ccccc23)c(OC)c1	408954077	MYLJATYYTDCUAF-SFDGNUHUSA-N	731.600	5.919	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1	408962834	KAEGHFBGJKYBNF-LGJNPRDNSA-N	508.328	5.755	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408974101	XEUYWWIOEKKWFB-SEVZJSAHSA-N	623.331	5.418	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br	408979302	MIZHPMCANXVAJR-BGEOKWEGSA-N	585.296	5.788	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1Cl	408982440	GZYBRRCVHJSSFB-IDUWFGFVSA-N	561.219	7.097	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)Oc1ccccc1/C=N\NC(=O)c1ccccc1	409004896	FYWWYCIJWZVXOD-VMWSCHNCSA-N	569.411	6.051	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1ccccc1	409009862	ACTRPDHNWWMFTN-VFLNYLIXSA-N	745.149	7.146	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409023401	MESUKONOSSSTLX-FZPRHHONSA-N	571.102	7.450	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2cccc(C)c2C)cc1	409024573	DZAPWZNZLPIMBL-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409071748	IBDGLZUMAQFWNQ-FYJGNVAPSA-N	523.416	6.951	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078927	JFNRHPLPINKXIX-OQLLNIDSSA-N	517.847	6.614	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1	409112914	MJOXCSCZBPTKOP-OVVQPSECSA-N	548.890	5.455	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)ccc1OCc1ccc(Cl)cc1Cl	409141809	KDZOWOPJCOJMIU-VWJSQJICSA-N	548.426	6.235	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409143712	GUTIZGJNTJNLRN-VATWTLTGSA-N	564.807	5.106	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)cc2c1	409187271	OGTJYFAXZAQKBT-FTCYSYDXSA-N	552.241	7.788	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-]	409223822	IPFAJWWBAGNISE-JTLSLAJRSA-N	613.970	5.791	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c2)cc1OCC	409224393	JVQKDJBLMBEORM-UHFFFAOYSA-N	743.836	7.898	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(Br)cc1	409229329	NJDFEXMTVHNXMN-XOASYVKCSA-N	545.477	6.940	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409246165	FXFXYRVWPRQIGN-HAHDFKILSA-N	562.464	5.440	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409247280	MADLXBJWKOEAMI-ONUIUJJFSA-N	549.498	7.356	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409251224	OYCSXSGNLMSSPQ-RODHXAHZSA-N	705.034	8.068	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1	409256070	JOEYISLRHHXNQA-XDHOZWIPSA-N	568.855	6.373	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)ccc1OCc1ccccc1	409260450	QLLXOXOGLMLXNE-GXBUFBABSA-N	551.643	6.063	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	409269381	IHHAIVPAGKDVHU-UHFFFAOYSA-N	546.586	6.807	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1OC	409310103	QIUOIRINHSBLGG-NUJZUDFISA-N	521.828	6.787	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)cc1OCC	409313642	OYGLJMLLLRFYEW-MWLSYYOVSA-N	654.377	6.239	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409315147	ILQJQIXFCMVFQY-NTFVMDSBSA-N	525.399	5.374	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409319539	HYNAYUSWGAPYTQ-HQDYHJHZSA-N	632.511	6.135	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1OCC	409336392	RZPYQXGFTNALLW-UHBFCERESA-N	575.887	6.642	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccccc1F	409371340	HIVQKTQMVGHSOQ-CHHVJCJISA-N	511.605	8.192	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409372803	KTUATMGPYAHZOM-AMVVHIIESA-N	602.710	7.370	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	409385183	IHGZEGLIXVLZPN-RPPGKUMJSA-N	636.265	6.520	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394519	BLWCSTFCVMCUSK-UHFFFAOYSA-N	601.388	6.628	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12	409398320	SMXLGSCZMLHBHH-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccc(F)cc1	409402311	JSBGTSCQGRGKIV-UHFFFAOYSA-N	645.087	6.849	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4ccccc4)c3)o2)cc1	409404942	RMEZYYWKDFBHDL-UCMJSZAQSA-N	519.601	6.609	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c3ccccc32)c1	409407083	YUQLCOQSEUKZKB-DBSPGSINSA-N	570.693	7.650	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	1529544431	FXVFWMZRCJDBMY-WFKOVYDBSA-N	714.804	6.605	50	40	KKGB	
CC(C)C[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2C2=N[C@@H](CC(C)C)CO2)=N1	1987974921	HHIGJUGUPAFKDE-DQEYMECFSA-N	512.634	5.828	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	934977	AMJOZWZOEILCKM-IEQIIXMPSA-N	502.039	5.434	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/C(Br)=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1	1882096	IKXLKXPVKIXPPL-ZGBFTUMVSA-N	566.912	6.526	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c(O)c1	1899113	MNJQAMQGLLEKMI-FMFFXOCNSA-N	570.763	6.334	50	40	KKGB	
CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1	3342374	AUJXYIGVWCCHIY-DZTJYMNTSA-N	553.706	8.797	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)cc2)cc1	6166438	UORNLKVOFKYBPL-LNKKYNELSA-N	514.651	5.182	50	40	KKGB	
O=C(NC1CCCCC1)NN(C(=O)NC1CCCCC1)c1nc(-c2ccc(Br)cc2)cs1	8754442	MFPXAKXENIDQNG-UHFFFAOYSA-N	520.497	5.968	50	40	KKGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	8935212	ZBYSGPNGLDAIEU-MUFRIFMGSA-N	519.464	6.565	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc4ccccc34)nnc2-c2ccccc2)cc1	9075815	VVNGMDHFIQQBAA-TWKHWXDSSA-N	507.619	5.729	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc4ccccc34)n2-c2ccccc2)cc1OC	31879862	LWKAFFUELDNUJQ-YKQZZPSBSA-N	523.618	5.347	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)c(Cl)nc2c1	59646949	IHPRSGZYWZONEU-WKULSOCRSA-N	557.459	5.280	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	59857435	VRKJMWTYQZNMGH-OVVQPSECSA-N	548.890	5.455	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3cc(C)ccc3c2Cl)ccc1OC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C	97946974	MOLSOESMPDSCDE-OEZXXYRFSA-N	565.906	7.132	50	40	KKGB	
Cc1ccccc1C[C@@H](C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1	100105357	RAVVKLOEGHGNKB-FNLZXBKISA-N	532.394	6.402	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100336264	REYRKKHZWKPZLF-APSNUPSMSA-N	577.218	6.797	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccc(Cl)cc1	100851166	MNPCQABTMBDGFJ-YUMHPJSZSA-N	540.874	5.983	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100991282	PYJOODPQRLDIHC-FYAMCCBRSA-N	532.463	6.131	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	101147329	UDEYGMCEFGDMFW-SCIJIFGBSA-N	522.945	5.452	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCCOc1ccc(NC(C)=O)cc1	101427400	IBCHLUOVPNWRIU-XSFVSMFZSA-N	537.975	5.840	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	102430778	NNXFYXBEKOYABQ-BRZNVLFUSA-N	563.293	7.365	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(OCC)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	102512700	LMCHHQLMGKEXKN-MUUNZHRXSA-N	586.670	5.562	50	40	KKGB	
CCN(CC)P1(N(CC)CC)=N[P@@](N)(N(CC)CC)=N[P@](N=P(Cl)(Cl)Cl)(N(CC)CC)=N1	102938139	GJBMUCBPZCAGHW-CONSDPRKSA-N	590.830	8.827	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	103883406	PBQDTZQTLGIZMK-JCMHNJIXSA-N	532.984	5.092	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)cc1OC	108944587	GPHZJEJHVONFOC-RWPZCVJISA-N	553.400	5.004	50	40	KKGB	
c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCCO3)cc1	137139436	ZJSLWYGVDOSDNF-UHFFFAOYSA-N	622.685	7.812	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	150385191	KMEMHZPECHRSRS-NNLKUIAGSA-N	639.221	7.832	50	40	KKGB	
CCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C(=O)OCC	150495080	RZDVVCUECIKDMX-ZPGRZCPFSA-N	677.754	8.547	50	40	KKGB	
C[Si](C)(C)OC(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F	169806653	MQRJAXFSKBMINU-IYSWYEEDSA-N	568.252	6.237	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(Br)cc1	408552186	HWXWIOBPKMUKGI-VCHYOVAHSA-N	674.358	6.999	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408582104	LVYCIEMDMKBTMT-YBFXNURJSA-N	515.322	6.091	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1OC	408582321	MXZNOAPNDPOZHL-GIJQJNRQSA-N	547.218	7.011	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1Cl	408605458	KGFBTZKNIJBAET-KVSWJAHQSA-N	520.800	5.632	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1cc(C(F)(F)F)ccc1Cl	408686198	MUIKTEDBPHOTQE-YJEJQGFLSA-N	577.770	5.269	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2Br)cc1	408748153	ZFIUVPWMTQLMSQ-ZDLGFXPLSA-N	605.124	7.407	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O	408754381	QNKGVFZMUSXVPF-KCSSXMTESA-N	660.587	6.509	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1C	408766930	XCZDAFZCYDUGLM-JCMHNJIXSA-N	521.533	5.938	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccc2ccccc2c1	408787580	CAXKUVXJRGZHFA-WGOQTCKBSA-N	602.472	7.530	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1C#N	408791634	ZZGCPWITKSOVGI-SSDVNMTOSA-N	516.395	6.071	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408793681	PXYAANXIFFEZAK-LICLKQGHSA-N	604.198	6.087	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408799184	YEDBFPBWAPHUAF-WSDLNYQXSA-N	503.385	7.280	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1c(C)ccc2ccccc12	408805616	HHRYZLWFTSLXBK-ZVHZXABRSA-N	555.472	7.661	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(C)c(C)c1	408808567	QGSBKOVNTNGDFI-WSDLNYQXSA-N	600.884	7.393	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1Br	408810001	ORYLTRMBSMJDMG-RIYZIHGNSA-N	510.613	6.284	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(C)c(C)c1	408816558	UXQCMLSEWYHQKD-SRZZPIQSSA-N	586.857	7.003	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc(Br)ccc2o1	408820244	WCXJFXNHXFWUHE-AQLQTECXSA-N	704.156	8.059	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OCc4ccc(C)cc4)ccc4ccccc34)cc2)cc1	408824145	HFHSNPZPOPZXJC-MWAVMZGNSA-N	538.647	8.160	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccccc2)cc1Cl	408825626	DJHMGGPAHTYSCQ-QXUDOOCXSA-N	625.534	5.990	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NNC(=O)c4ccc([N+](=O)[O-])cc4)cc3)sc2c1	408838289	DDMMNXIAUFCUPD-UHFFFAOYSA-N	508.943	5.098	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(Br)cc1	408840061	ARSHZSRAPZTYOG-IIHBXENTSA-N	653.908	7.602	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408840352	AWCYGRWMKSZSHK-MWBNBJEGSA-N	657.104	7.405	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc6ccccc6c5)cc4)cc3)cs2)cc1	408842267	JUWPXKJAVYGKFZ-QLQYKETESA-N	568.702	8.358	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c(Br)cc1OCc1ccc(Cl)cc1	408842698	ANBUANWYAFCLPK-KVAAJVFYSA-N	641.031	8.192	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(F)c2)c(Br)cc1OCc1ccc(Br)cc1	408846106	IMOCTBQWYKCMRV-UVHMKAGCSA-N	550.222	6.092	50	40	KKGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408847010	OQQJDMJCICPWLZ-YVNNLAQVSA-N	510.753	5.284	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(OC)c1OCC(=O)O	408858465	PGYBYVQHGPWDSE-LJUMEUDFSA-N	517.626	5.511	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1	408862105	XECTWWXJCKHBJE-JEPNHJGPSA-N	620.171	6.665	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c2ccc(C)cc2)cc1Br	408862542	GARJSBJOJPZMNA-XICOUIIWSA-N	684.012	6.408	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)c2cc(Cl)ccc2OC)cc1OC	408862720	IRDDEQLIABBOOE-XICOUIIWSA-N	651.141	5.354	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1	408868212	NANKWACDQRAOSV-KEBDBYFISA-N	527.404	5.822	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1ccccc1Cl	408868655	AOGUWKWBZDMFSD-XDHOZWIPSA-N	500.223	7.201	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1	408878981	CCTOYTDIKLBJRY-RPPGKUMJSA-N	500.363	5.596	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3Br)c(OC)c2)cc1	408879709	DXQZENURFILMQX-YBFXNURJSA-N	584.264	6.143	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408882216	LVOBCZIRGPCVNI-LFVJCYFKSA-N	511.419	7.289	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408882843	REAIIGYFEYWTCE-OVCLIPMQSA-N	679.221	6.607	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c(Br)c1	408886879	MUEBPCGOYNIPDL-GZTJUZNOSA-N	574.656	6.938	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408893052	FCQSMGKBCQYJHP-RPPGKUMJSA-N	691.101	6.010	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3cccc(Br)c3)cc2OC)cc1	408893922	GYMNRXINSAYHFE-LGJNPRDNSA-N	517.763	5.103	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OCc1cccc2ccccc12	408894584	JRMJHKXDPOVGGF-UDWIEESQSA-N	629.281	7.884	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905629	ZYTVWTFJALRCQH-BCHBDCPOSA-N	563.191	6.753	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408921354	AMZRDEKTVCCSPV-XQNSMLJCSA-N	533.971	7.679	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc2)cc1	408924479	JEFLIBLVGSJAMV-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925819	UAGDVOONVVYLLV-QGOAFFKASA-N	505.577	5.095	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	408950977	STZAURICNHGGBT-LJAQVGFWSA-N	750.499	6.619	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	408953687	XTAKVZKETLGOQJ-HKBQPEDESA-N	766.512	6.829	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408968662	AUBGSYIQQNBCOH-NYHJKFCZSA-N	781.302	7.941	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1Cl	408968996	FMGPJOINKQSASR-OOTQQHMSSA-N	553.273	5.945	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408981264	ABVBLZGJBYPZAQ-NVMNQCDNSA-N	603.800	6.295	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408982401	XUQMYEDMYLWTPB-RBVAJZFBSA-N	592.117	5.796	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)cc1	409001449	VVVQOJZFMGMOHQ-UNOMPAQXSA-N	528.777	6.378	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(O)ccc2ccccc12	409015152	OABNMYRHILTABR-OGTVHZSVSA-N	516.425	5.301	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409019620	JZXLNLCLGIVJJH-ZSNJKBEMSA-N	677.583	6.939	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1	409027241	BNVWPLQMVJVZGK-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1	409027755	GYPHERAJANECIR-UHFFFAOYSA-N	510.487	5.897	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409039382	GNCNWAPLSIZUBO-WKULSOCRSA-N	567.896	7.298	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)cc1	409045140	FPIVRPKYXGQRCR-HYARGMPZSA-N	606.314	7.888	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409075267	YFALJTGYQKLLSF-OCSSWDANSA-N	622.969	5.631	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1Br	409160697	IDNMFLNZTLVXBS-LGJNPRDNSA-N	599.732	5.206	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409184635	HQTJJCMKYZHCCE-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1cccc2ccccc12	409214570	YGMMVTMRWWZBKM-FJEPWZHXSA-N	569.908	7.086	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1OCc1ccc(I)cc1	409237444	WUIYVMCVXVGOCN-DIBXZPPDSA-N	606.504	6.653	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1	409249006	ICPBLEVGPPOLHA-HQDYHJHZSA-N	592.479	6.753	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409257879	RFFYRSMJKDMHKZ-UDWIEESQSA-N	611.436	5.576	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409336531	TWTRAYKYKMLWPU-CPDSRJINSA-N	549.838	6.572	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409364224	NPYOHNKAVNDDSJ-RPPGKUMJSA-N	578.381	6.770	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409386229	OYTXJUDPPYLBFX-UVHMKAGCSA-N	646.419	6.064	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397520	KSJAUXZLWOXWNZ-UHFFFAOYSA-N	507.521	5.966	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397760	NUBOXGWHTBMQAM-UHFFFAOYSA-N	692.950	7.268	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)c1	409398396	STGHZEGVKIHXJZ-UHFFFAOYSA-N	507.977	6.780	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409399242	YRHFMFHKUBZNOV-UHFFFAOYSA-N	623.662	6.251	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4cccc(C(=O)O)c4)c4ccccc34)o2)cc1	409405079	RZPVHYRBDABAEG-WBIBEUCMSA-N	586.648	6.731	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4F)cc3)o2)cc1	409407489	ZWHJNPMJXUIYQD-FZKWRIDDSA-N	537.591	6.748	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3C[C@H](Br)[C@@]4(Br)C[C@@H](OC(=O)C[C@H](C)CC)CC[C@]4(C)[C@@H]3CC[C@]12C	504649563	VKBCMZKYIQGGGT-ZNUIEWRDSA-N	644.617	10.635	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C	1529544403	CZFWYEOUZRUCQB-HPGCQRRWSA-N	621.763	5.646	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1	1529549397	XRYIZEWGJJIFDI-XQTSXZJRSA-N	651.185	5.511	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(Br)c2)N1	1296503	VPURYLDBJQJHDW-RUZDIDTESA-N	579.545	6.526	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1	1309857	NIQAMIIZEMEELW-UHFFFAOYSA-N	536.371	5.516	50	40	KKGB	
Cc1ccsc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1	1823121	JTBPDGRSCLHKBL-BRJLIKDPSA-N	502.452	5.853	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	1950340	XVHQPUZMMSLRAL-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
CCOC(=O)c1c(CCl)n(-c2ccc(OC)cc2)c2ccc(Oc3nccc(Nc4ccccc4)c3C#N)cc12	2074888	CQWMHPRADWFBJU-UHFFFAOYSA-N	553.018	7.357	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	2089564	OSPNVJTWSKVMLI-MMTVBGGISA-N	541.007	6.345	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(Br)cc1	2223094	GPGYHVYGNWKIST-LGJNPRDNSA-N	527.831	5.044	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1	2229218	SELYUSHZMGTDTL-OCSSWDANSA-N	530.719	5.866	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1c(F)cccc1Cl	2304495	MUPPWVSJVACJLV-OPEKNORGSA-N	503.049	6.019	50	40	KKGB	
CCOc1cc([C@@H]2[C@@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(I)c1O	2799967	CRWMSCLITBKRTI-LUQKVYGDSA-N	542.421	5.261	50	40	KKGB	
CCOC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	4048164	KCDKIKPDHLMOAY-BIUWRGFISA-N	577.917	8.117	50	40	KKGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c1C#N	8435311	VSYXGOPJUFDVIQ-HASSKWOGSA-N	634.534	6.824	50	40	KKGB	
O=C(NN=C1CCCCCCCCCCC1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	8454008	QGICTDGACNTSMY-UHFFFAOYSA-N	545.749	7.473	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccco1	12250144	AUFBWKFFEOJBIE-SANMLTNESA-N	518.683	5.667	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(Br)cc1	19893480	NAQQWUNBFVIDMJ-ONUIUJJFSA-N	506.429	5.329	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@H]1c1ccccc1Cl	20029014	HZYSGFUSKHJNRH-RUZDIDTESA-N	526.058	5.214	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1	59198792	YQLKRQCMEURALQ-UDWIEESQSA-N	506.356	6.099	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc(C)cc1	59500518	CDKIZRXJBMCBCG-RGXNXFOYSA-N	521.573	5.629	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12	98008190	RDMQAONAVWBBKJ-UUWRZZSWSA-N	575.043	6.985	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccc(Br)cc1	100120621	YEQAXVGECZHATC-OKCVXOCRSA-N	552.925	7.566	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)c1	100122949	ZDGIPDAIZPSHPI-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)c2cc(Cl)cc(Cl)c2)cc1	100139037	OXYOTFRIGJXZNU-LGJNPRDNSA-N	555.281	5.410	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(SC)cc3)o2)cc1	100211399	ATKGUPZVGJJCAF-ZCTHSVRISA-N	591.711	5.499	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(Br)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100239546	JGIQBPDEGPQEHP-WPWMEQJKSA-N	564.889	5.237	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc2ccccc12	100335594	BBJDLKHPGVVVSB-ZVHZXABRSA-N	541.445	7.352	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccccc2)cc1	100350411	GUIIIBPCIQFQPI-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1)c1ccc2ccccc2c1	100390292	YXQXDSRMYRLXAT-ZCQNZVIGSA-N	599.275	5.306	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Br)cc3)nnc2-c2ccccc2)cc1	100859056	JBSMZTOTXYCZRM-PKAZHMFMSA-N	536.455	5.338	50	40	KKGB	
COc1ccc(C(=O)[C@H](CC[C@H](CN(CCCl)CCCl)C(=O)c2ccc(OC)cc2)CN(CCCl)CCCl)cc1	102604667	ZEJMIHLNRJQZJS-CLJLJLNGSA-N	634.472	6.341	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	102807339	ONDMXXKHSVJCHW-DEOSSOPVSA-N	602.432	7.012	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	102807846	XCKDKAFXNLDFDF-VWLOTQADSA-N	593.930	7.115	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2cccc(C)c2)=C(C)N1	102808258	JCUDHFGLZMMGJV-HHHXNRCGSA-N	528.634	5.693	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1C	103897410	HMEWXSSAFPPVAJ-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S	150437088	UCVUVHDSLKLSID-IWGRKNQJSA-N	651.644	5.024	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795374	VCJLHEWEWDNTIE-RYUDHWBXSA-N	858.168	11.431	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Cl)[C@H](Cl)c2ccc([C@@H](Cl)[C@@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	195515845	LYNBJUDBJRYFET-CZYKHXBRSA-N	604.186	7.839	50	40	KKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	408539069	FCVAUXOOHPKJPS-JDCMOKTRSA-N	518.654	6.786	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC	408539075	SLOMXYIPKPOLDI-JWGURIENSA-N	513.034	6.810	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539078	FEIXPSNSZDLFLZ-WBIBEUCMSA-N	578.587	7.035	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(C)cc1	408543130	PIELJEPQTOQKLD-JMIUGGIZSA-N	568.367	5.431	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCC(=O)Nc1ccccc1	408567527	FMJQLWUQFWYSLN-OKCVXOCRSA-N	677.586	5.715	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	408581160	GWJWUGFOKJKGMS-DJKKODMXSA-N	527.404	6.409	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)cc1Cl	408604909	JDECDCCTPZDHSJ-MRXNPFEDSA-N	534.827	5.731	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OCc1ccc(Cl)c(Cl)c1	408613194	ZQFOKKCAEITMIG-SFHVURJKSA-N	514.409	5.386	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)c1	408636821	CUBHZTFPXPQVDS-CUNXSJBXSA-N	568.497	7.341	50	40	KKGB	
COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)c(C)c2)CC1=O	408643743	RLOACDFVFXUGFH-JIKAWYKTSA-N	668.766	5.042	50	40	KKGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1	408719365	CMWQGJYWNSTHLX-YAGSLNJISA-N	559.544	6.258	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1cccc(Br)c1	408723351	SFHCRUJOGJLSCI-AXBAISPRSA-N	610.895	6.069	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccc(Br)cc1	408726947	WVHNKUAWRFTUPM-BKUYFWCQSA-N	584.308	7.297	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408742565	AVGIIRSWYWWZKA-XKZIYDEJSA-N	670.288	7.482	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Br)cc1	408746744	GMLYFGLOAQSTCY-DXJNIWACSA-N	529.434	5.723	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1	408748252	AUUPKPRPNYQCGA-MZJWZYIUSA-N	556.507	6.279	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1cccc2ccccc12	408749029	KGASMAXXGDIGAL-WKULSOCRSA-N	568.265	6.716	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc(I)c1	408752911	DIGSTRVHKMCQBJ-FMIVXFBMSA-N	509.130	6.404	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408788149	IPZDTYYKFLPSRZ-WGOQTCKBSA-N	583.482	7.470	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793090	DAMNQYDRAXZPBP-OEAKJJBVSA-N	838.221	8.204	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1	408795431	LBXQHXIGDXJQLR-FYJGNVAPSA-N	567.411	6.288	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC	408797654	SJEYDUDITKKDQQ-OQLLNIDSSA-N	552.219	5.098	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(F)c1	408798598	WDJHXLFJDOPUTB-CAOOACKPSA-N	526.318	5.630	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408798759	WWENPUYLPCPVMZ-YBFXNURJSA-N	647.263	5.974	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I	408799573	ZNFSAGBVWXIJPI-LZYBPNLTSA-N	583.220	5.158	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408809028	HINXUWKPNUUWNU-AEVGBRMKSA-N	759.269	9.470	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1	408812113	CCFFJXQCEGQXEN-IPHFVPNQSA-N	550.058	7.458	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408818630	PVMQVLQCDNLYIW-ODLFYWEKSA-N	546.248	6.567	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC	408839350	QZGARRLZWQACJY-ATZGPIRCSA-N	677.464	5.619	50	40	KKGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408848427	WEVIIIUUAYNMTE-IPPBACCNSA-N	551.024	5.531	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C)c1OCc1ccc(Cl)c(Cl)c1	408849517	WPNSQXYOJSOKHP-HCNMGLPWSA-N	554.352	6.809	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2ccccc2o1	408849813	ZGODXDGSWUGDSZ-ZRGSRPPYSA-N	528.746	6.100	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc2c(c1)OCO2	408854794	BLQDMKKMAUTXOX-MTJSOVHGSA-N	551.426	6.974	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408859338	SNVCFHIFBRYJFD-MHDJOFBISA-N	722.401	6.597	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)ccc1OCc1ccc(Cl)cc1	408860466	WERWSLSREMOGNO-GUBAARJWSA-N	597.159	6.399	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)cc1	408861009	KTNAYDAQLAJPFE-PPOKSSTKSA-N	579.678	5.773	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	408867759	NEBLETBQNIYAMD-WKULSOCRSA-N	564.491	5.196	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408874074	YBDBMGFOWFMLGF-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1Cc1ccccc1Br	408877930	YHOMJTFLWYFXBD-CIAFOILYSA-N	523.858	7.255	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Cc1ccccc1Cl	408880317	HKWKMINWPQSEQZ-UDWIEESQSA-N	556.831	6.788	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1cccc2ccccc12	408886253	JCQLCQNSLQANFQ-OCSSWDANSA-N	541.654	6.310	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1c(Cl)cccc1Cl	408896092	MUGDNDICJWDFPS-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(Cl)cc1	408904011	CHRTUIGSHADZBP-VYYCAZPPSA-N	516.823	6.544	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408909282	GZJWFVWAJYLURO-ZZEVNCIZSA-N	551.474	6.112	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C(=O)OCC)cc2)c(I)c1	408948038	OQDRICSWHVFBAH-LJAQVGFWSA-N	882.515	5.537	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2C#N)c(OC)c1	408952911	KYTQSPVIKVLSFT-DLVDTJDKSA-N	755.420	5.391	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408967644	WJHUTDGXTZIKEF-LUOAPIJWSA-N	607.642	6.862	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12	408968960	DRMMNNJCFUHGOY-VGHUMNOLSA-N	670.593	7.379	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1	408969669	RTABSFFXWBSEEU-GNCKLDPMSA-N	669.005	7.270	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OS(=O)(=O)c1ccccc1	408970721	COYDTAJUENSDCS-HMMYKYKNSA-N	532.603	5.021	50	40	KKGB	
CCCOc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1	408970804	KNOMAGKCMWUXSH-XPZZZYAWSA-N	542.463	5.427	50	40	KKGB	
Cc1cccc(CN(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)c1	408970938	BBCOWOAFWOQAIN-STBIYBPSSA-N	506.027	5.143	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408973132	ZAZNXULONJJZRX-PYVPIOLNSA-N	709.498	8.455	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	408986160	LYXXJDPZEHKCLL-LGUFXXKBSA-N	592.924	9.081	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409033472	FKLWIJDHFSLNRP-OHUYPAJKSA-N	658.452	6.766	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409043613	SCTJKVLWLZMESX-YBFXNURJSA-N	615.855	6.215	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1	409065684	ITNBWIOMMHTVDU-MHWRWJLKSA-N	565.818	5.747	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)c(C)c1	409067399	CUIMHKXHQNNARW-LDADJPATSA-N	501.391	5.924	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cccc([N+](=O)[O-])c1	409086405	ZKMKTJDPNSFNKE-GATIEOLUSA-N	645.166	5.286	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1	409089897	KYXFBTDFYOLDCC-LZYBPNLTSA-N	616.222	6.983	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C2=C1CC(C)(C)CC2=O	409141512	IEXHXIVUHGCTTN-XMMPIXPASA-N	727.356	5.997	50	40	KKGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1)Nc1cccc(Cl)c1Cl	409162805	IBRKPVRANUYFGM-IPBVOBEMSA-N	554.217	5.407	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)cc2c1	409186699	GPKVHNDLVSEGFA-FDVSRXAVSA-N	505.958	5.575	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NC1CCCC1	409192059	UDVLKSLROKDXAI-CHHVJCJISA-N	528.661	6.954	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409226519	UCIGQLPMXIIHBG-GCAHPBPFSA-N	647.869	6.646	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccc(C)cc1	409226754	SLMCAJHGYLLTJQ-UHFFFAOYSA-N	521.573	5.547	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1cccc(F)c1	409244850	JOLYSSLTZPUREO-QREGZJMFSA-N	556.375	5.802	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2)c1	409264920	MVIUYLCBISXQNJ-FABQOPTDSA-N	596.112	7.297	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	409265255	UADXAMWGWZXNLN-ZDLGFXPLSA-N	617.725	7.045	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409266966	ZILCXTIJVIADBM-QRVIBDJDSA-N	576.491	6.645	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OCC	409317034	NPFSSFSBPLVYAY-LQNQUEJISA-N	553.999	5.953	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1OC	409317693	RIURDWVWYWSEOV-NUJZUDFISA-N	594.275	6.491	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OC	409326003	FLVJMBBRGWXAEK-YNFMAFFXSA-N	564.853	6.144	50	40	KKGB	
C=C(/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N	409334711	LZHPCEVVWNLTGP-ZMOGYAJESA-N	625.383	9.597	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409357854	KLCNDLNLQQNOMR-KKMKTNMSSA-N	535.211	5.492	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl	409359888	CHHJSQBVSQEFFT-VFLNYLIXSA-N	598.268	6.138	50	40	KKGB	
COc1cc(/C=N\NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1	409372900	PTCGZVKBLXTKRE-OJYCWLPVSA-N	599.753	5.849	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccc(Br)cc1	409384547	DIXSEESDYHHWRT-XODNFHPESA-N	633.318	7.076	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396418	PQVAYUFIPABHFM-UHFFFAOYSA-N	606.000	7.889	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(C)=O	409396958	DIZLFLZYEBBVSQ-UHFFFAOYSA-N	616.457	7.059	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409397326	ISHTWAQKBOYHJE-UHFFFAOYSA-N	606.398	7.599	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccccc1F	409401861	UFSVIZGOLOKONQ-VHFSBPNMSA-N	602.062	7.410	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(O[C@@H](C)C(=O)O)c(I)c3)o2)cc1	409405709	UTNDQUDVNOEISQ-UEGXWDRTSA-N	627.435	5.487	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3Cl)nnc2-c2cccnc2)cc1	1474656	QPZANFAITKGYAM-OGLMXYFKSA-N	507.019	5.014	50	40	KKGB	
CCN1C(=O)/C(=N\NC(=O)c2c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n23)c2cc(C)ccc21	1813154	WRJQXDOMKWHGBV-BBTNWVSFSA-N	552.638	5.813	50	40	KKGB	
N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)s1	2188867	DAMSYIQFQXBSHW-HXUWFJFHSA-N	511.470	5.627	50	40	KKGB	
CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2	2349159	DDCBLDPUIXEGRA-GHRIWEEISA-N	505.552	5.906	50	40	KKGB	
C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)c(C(=O)OCC)c1C	2378157	OUARRLIDKOZHQY-LGMDPLHJSA-N	509.609	5.685	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1cccc2ccccc12	2740398	DTTZUEYJNHTQEW-ZAHZQSQGSA-N	556.695	6.817	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccccc3Cl)cc2)sc2c1CC[C@H](C)C2	6167116	GMCMWSCPIOHNMM-ZALOIUACSA-N	568.095	5.873	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)sc2c1CCCC2	6228280	JXHFOMUBWYVIMS-AJZYWNCJSA-N	578.134	6.309	50	40	KKGB	
O=C(CCCCC(=O)N/N=C/C(Br)=C/c1ccccc1)N/N=C/C(Br)=C/c1ccccc1	8426907	KADANKCNZXXABG-QGZQQFLISA-N	560.290	5.623	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)=C(C#N)[C@H]1c1ccccc1Cl	33357723	LQLCHMBZNPWDID-HHHXNRCGSA-N	662.233	7.225	50	40	KKGB	
COc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1	40486412	YFYAQBIFYJUFGE-XMMPIXPASA-N	526.058	5.758	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1cccc(Oc2ccccc2)c1	51075630	QKSCZKLTZOARMD-MNBJERMJSA-N	527.049	6.773	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)cc1	58914982	MWTSAEFOHQKXAX-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	59855996	LIXFVNQCZSNDST-RDRPBHBLSA-N	544.073	5.182	50	40	KKGB	
CCOC(=O)CCC(=O)[C@H](Br)[C@@H](Br)[C@H](Br)[C@H](Br)c1ccccc1	68564020	MEGLECGKMOXAKM-QKPAOTATSA-N	577.933	5.326	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4cccs4)c(NC(=O)c4cccs4)s3)o2)cc1	97946869	HDQRWLAAQOROHN-XDJHFCHBSA-N	557.678	7.686	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1cccs1	97959421	UVMDDWABBZNEPZ-VTGGEIAFSA-N	645.181	6.787	50	40	KKGB	
C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965721	SZZVTICHKLWCSS-YRJKAGBCSA-N	553.434	6.236	50	40	KKGB	
CN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	98008198	NQELPYFRYVMBSP-PMERELPUSA-N	526.999	6.051	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)=C(C#N)[C@@H]1c1ccco1	98048620	YIWZMFHISKHKLJ-HHHXNRCGSA-N	571.659	6.074	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	100055731	AJDBLAHPXIUASX-RUMWWMSVSA-N	606.542	5.412	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1	100103060	VAJMSYVPYNUGHJ-FABQOPTDSA-N	586.035	6.827	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100258345	LSHZMKITOVHUPH-OCSSWDANSA-N	555.487	5.990	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccccc1	100287659	YRAMEOOKBJIDTD-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4F)c(OCC)c3)cc2c1	100378042	OCOXBELTPPFIBN-MNDYBZJGSA-N	555.400	6.475	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)c1ccc(Cl)cc1	100859807	DMLHFYLHRLCXEX-JFLMPSFJSA-N	541.862	5.378	50	40	KKGB	
CCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1	100879148	LEADKKXAWNGNHQ-KGENOOAVSA-N	528.505	7.936	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	101561979	GAVCTEAUCXGDSL-OZXMAXACSA-N	547.080	5.108	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1ccccc1O[P@](=O)(Cc1ccccc1)c1ccccc1	101620997	MYHUKVRQQHDZHG-PGUFJCEWSA-N	508.494	6.509	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Br)cc1	103755353	PYGGTZSTRCIYJP-JAIQZWGSSA-N	570.281	6.962	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1	103901209	MNBKFRDAUSFYCF-OGLMXYFKSA-N	534.465	5.518	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccccc1	103902580	VSTUFEDLLVGMSH-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1Cl	104953722	AUCNFXWMCQIUPR-RQZCQDPDSA-N	536.242	7.824	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	112255491	PRCVQIJSHGTHRD-GCJGONDWSA-N	594.498	6.279	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341815	YNIFRLDVAIXNIG-LJQANCHMSA-N	662.450	11.545	50	40	KKGB	
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1ccc(C(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1	150384660	IJFFQBLNPZTBAM-JTOYJDTJSA-N	650.438	5.782	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2I)cc1I	150477790	RWORPWLOCGYBQS-KPKJPENVSA-N	670.026	5.445	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408540568	ABPLDTGYHVZSDX-NHDPSOOVSA-N	522.351	5.887	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCC(=O)Nc1ccccc1	408541796	FVUHKNYLWFHVPH-ODLFYWEKSA-N	554.340	5.080	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408555900	ZQFJVLMMEFCRLB-RAWMCFOBSA-N	521.744	5.336	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	408566508	AGQZXKYLQUTOGW-VFLNYLIXSA-N	656.849	7.452	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccccc1	408611183	QCFMWMBNWJDPQF-KBVAKVRCSA-N	508.018	5.208	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(CC)cccc2CC)cc(Cl)c1OCc1ccccc1	408611289	QNAXHAKSZQVVNH-OCSSWDANSA-N	508.018	5.531	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O	408638389	CJVTVLOQUVXNTB-YIRCQBSFSA-N	592.306	5.938	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]21	408658989	VJQVGEQOMUNLAP-DRYCXKJXSA-N	551.829	5.567	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1C	408710921	WNACRELDWLMNJB-MUFRIFMGSA-N	547.409	6.204	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1	408719258	AUQUFBBIPLZJHH-UVHMKAGCSA-N	533.875	6.074	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746274	RJMCNGRQWNTNEZ-YVLHZVERSA-N	593.646	6.832	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I	408747628	QOXAPXZHNSKFFG-JYRVWZFOSA-N	588.037	5.927	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OC)c1OCc1ccccc1	408747918	VSPITKWCIJCRPX-STKMKYKTSA-N	506.602	5.389	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)NCc1ccccc1	408748105	YKJASEXWGJUMBR-GRSHGNNSSA-N	746.124	6.303	50	40	KKGB	
CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Br)cc2)cc1	408765707	ZOOHAYZEPDHLJQ-XDJHFCHBSA-N	520.383	5.411	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccccc1	408785181	ZHAOXYREACPMST-NUJZUDFISA-N	521.333	6.210	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1cccc(F)c1	408788571	LGCGTGBJNCAIJT-LICLKQGHSA-N	515.766	6.375	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccccc1C#N	408788634	LTGXWLZXXIKRFV-JVWAILMASA-N	655.492	7.265	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1cccc(F)c1	408794158	HSBXIMWOORISMR-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408828315	DMNKDEDLSZVJAS-JVWAILMASA-N	645.981	8.822	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4cc(C)ccn34)o2)cc1	408832420	YLONVJFRSQKTHT-BJUCDSOZSA-N	624.550	6.314	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408838880	JQYODXIEGXBHRT-KVAAJVFYSA-N	688.074	7.005	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc(F)cc5)c(Br)c4)cc3)cs2)cc1	408840406	BEZIYQRFZRNZFS-QNVXDBMFSA-N	694.424	8.869	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1cccc(C)c1	408841380	GPKBXKMFQCQFDT-ZHSUKTGHSA-N	633.490	7.257	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccccc1	408847338	VCYHZUXRENORSX-HIWRWHBISA-N	619.463	6.948	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)Cc1ccccc1	408848275	VMLJXISWEVGXAJ-JEPNHJGPSA-N	612.107	7.118	50	40	KKGB	
O=C(O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408848954	XKDNCQOOKHIKJB-VPUKRXIYSA-N	758.763	6.644	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(F)cc1	408849791	ZCDIACOJZXKQTB-YBFXNURJSA-N	531.219	7.393	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1	408851149	IZUFOAQDVNKROE-DICXZTSXSA-N	501.808	5.773	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408866226	GEGCSVULPAZTFO-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2cccc(Cl)c2C)cc1	408866815	IQWLCMUILHCNHU-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408872553	GGZRBTZWHXWTMH-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC	408872775	IPPVIALYSZVHJZ-ALQBTCKLSA-N	682.593	5.708	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1Cc1cc(C)cc(C)c1	408875095	CWIUZUMYTSUNCK-SRZZPIQSSA-N	570.858	7.097	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1cccc(NC(=O)c2ccccc2)c1	408883466	PUNKWDXSMKSJDM-STKMKYKTSA-N	558.635	5.122	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1Br	408887114	MDKQVFLYSXFDIO-XDHOZWIPSA-N	511.803	6.626	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl	408891482	RGFAAKBJITVTSH-RQZCQDPDSA-N	546.794	7.078	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccccc3F)c(I)c2)ccc1Br	408905315	XBYQLRHRJMEAKH-ZRGSRPPYSA-N	582.211	6.236	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408967283	UJIQTPNJOLBVJA-LUOAPIJWSA-N	518.740	6.644	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1F	408971905	LRKVTYUIXMWTCT-ZDLGFXPLSA-N	530.293	5.990	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)c3ccccc32)c1	408982373	XTTNWYDICLKNDR-ZWDSVTPMSA-N	514.629	6.010	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)c(I)c1	408985252	WAYDNWIVZBZMSI-ZDLGFXPLSA-N	546.767	6.517	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc(Cl)cc1Cl	408994840	JVHPCENWFFAPHF-APSNUPSMSA-N	676.075	7.544	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccco1	408995632	CWLHPDVJTGZJSW-WCMJOSRZSA-N	566.397	6.221	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(OCc4ccc(I)cc4)cc3)[nH]c2cc1C	408998107	IAIFPOCEQBZCCU-MOSHPQCFSA-N	505.359	6.428	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409031556	HDLFAIKMXRNGNW-KCSSXMTESA-N	583.511	7.659	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	409032793	DKGKGERVIWDTDX-BIZUNTBRSA-N	516.626	6.791	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)c1	409049076	VYKLDKBGLGMRIE-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1	409084401	VHILVWQGWBTWQQ-XNTDXEJSSA-N	562.298	6.723	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409123747	DMMOQHLYCYUDFT-OAQYLSRUSA-N	701.096	6.161	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccc(C)cc1	409125881	BHQYFZXMOACPME-RUZDIDTESA-N	507.384	5.659	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409139685	CWSBJBFGDGDLCP-OAHNOQMOSA-N	585.225	5.369	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)cc1	409155454	RGFPEODZTPFLAS-ROPCREHHSA-N	651.436	5.372	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OCC)c1	409173740	RBYWYYIZODMUQQ-IBBHUPRXSA-N	678.911	5.157	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(C)cc4)c(Br)c3)cc2c1	409188437	ZEJWUALKRZZHDK-NUJZUDFISA-N	586.280	7.008	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1	409209678	HCPSKBFQPKJDPZ-LUOAPIJWSA-N	650.163	7.182	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3ccccc3)cc2)c1	409223247	GHDKHVWPLBSBPI-LOBPSSMZSA-N	538.003	6.283	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(C)cc1	409238935	OPJVBXNHKSMECV-IWIPYMOSSA-N	566.439	5.843	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409246157	FUKYPTXMVILHJL-QREGZJMFSA-N	529.851	7.409	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)Nc1ccccc1	409246314	AWTJUOHNQFHKAB-YVLHZVERSA-N	574.353	6.040	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)cc1	409267806	PDCJPZZPNSUSMV-QDTIIGTASA-N	573.285	5.918	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)c(OCC(=O)Nc5ccc(C)cc5C)c(Cl)c4)cc3)cs2)cc1	409269979	MZSFMKVECONNSP-ADJDCTSUSA-N	658.611	8.567	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409319095	ADBLSRDALWYFEQ-WOJBJXKFSA-N	568.866	5.155	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)cc1OC	409320078	BOYHOWJHWMWLJZ-MWLSYYOVSA-N	554.441	5.336	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(O)c(OCC)c2)ccc1OCc1ccccc1	409333475	PPYUWDUCZFELEK-DICXZTSXSA-N	513.388	5.295	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1Cl	409343823	HXTDQTHMQYMRMO-VFLNYLIXSA-N	595.719	6.405	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	409362520	HFHIUXVIGGPVEG-LJUMEUDFSA-N	580.320	7.199	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCC(=O)Nc4ccccc4)c(OC)c3)[nH]c2c1	409391274	IUKFLKZGDLFKIA-YVLHZVERSA-N	580.382	5.266	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(Br)c1OCc1ccc(Cl)cc1	409392702	RJVLKYCOTVBAGR-UVHMKAGCSA-N	533.806	5.558	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)c1	409394882	HAHVOSUPZWIZRB-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)c1	409396010	VETYMXXLPQWOCK-UHFFFAOYSA-N	733.766	9.324	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409396351	XXQXXXRGEHXFQW-UHFFFAOYSA-N	700.895	8.270	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409397258	HZTAXIINOQTTOQ-UHFFFAOYSA-N	596.083	7.496	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409398293	CPUXFEVWWUPSMK-ZMGVVAQMSA-N	580.037	5.634	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)Nc1ccccc1C	409400447	DEKNREDVXWTTJT-KWQVAVEISA-N	746.602	7.359	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1770635	DMQRUPOKBAJRHP-OCSSWDANSA-N	518.086	6.436	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1c(F)cccc1Cl	2233807	DEKPPFMUUCQGMR-KKMKTNMSSA-N	501.370	5.074	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc(OC)c1OC	2264219	YQWWJHLHZKBLKK-UZWMFBFFSA-N	523.589	5.247	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3c[nH]c4ccccc34)nnc2-c2ccc(Cl)cc2)cc1	2269361	DXRYLQAQIKMTNH-WKULSOCRSA-N	501.015	5.620	50	40	KKGB	
COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1	2709810	NVHICQJMNIDRSR-LRDKQWDDSA-N	549.454	5.008	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c(Br)c(Br)c1OC	2799620	IZGDZSJWCVYTBH-OAHLLOKOSA-N	546.219	5.227	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1	8427482	JRHNDOTVCMIABB-VDTYKYKFSA-N	504.719	6.613	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1	12556016	CDKNHPLWDBUNSA-WOJGMQOQSA-N	512.349	6.425	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	20059486	VNQBWVQBXISOHT-MWAVMZGNSA-N	518.038	5.890	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(CC)cc3)=C(C)N2)cc1	20347594	UXZRCNLJEUJYKI-NDEPHWFRSA-N	526.662	6.111	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c2ccc(Cl)cc2)cc1	59886171	SOMHOQLLPFOVTE-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(N)=C(C#N)[C@H]2c1cc(Cn2cnc3ccccc32)cs1	98008001	ABLNOSIZSPBBJK-MHZLTWQESA-N	540.092	6.740	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	98048688	KMTSTZOIWVFHGT-LJAQVGFWSA-N	554.672	5.800	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	98048693	ZVCJQPFEAWHCAC-GDLZYMKVSA-N	552.700	6.273	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100125850	IZWGHGDLYMUCLT-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cccc3c2OCCO3)cc1	100139349	CJSZARPTRLBASW-BIZUNTBRSA-N	576.074	5.579	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1	100184264	KIWZGUKDUNEUML-OGLMXYFKSA-N	550.482	5.728	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OCC	100580454	UUUODDDILSSKIQ-NTUHNPAUSA-N	539.180	5.463	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(OC)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852100	WGOAFFTVKPMBSV-RGXNXFOYSA-N	573.719	5.890	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1	101000245	JIVZKRQEVPVWSX-HHHXNRCGSA-N	573.074	5.833	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	103889598	SQFSZXMQSOUZGZ-NSIKDUERSA-N	561.079	8.732	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccccc1	103897790	HLQOJXWTERCBEF-BIZUNTBRSA-N	622.541	5.767	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccnc5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	104562348	JLBRYZYRAOBCST-NSXLFHFSSA-N	547.014	5.010	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	105586087	CJJYNUVNMVJQEP-FEZSWGLMSA-N	541.673	5.943	50	40	KKGB	
CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341758	IHEGTBDQBURPBT-INIZCTEOSA-N	970.418	14.822	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	150385196	SIQMACDFLVTPJN-CHSHITCJSA-N	680.057	8.522	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cccs1	150439680	POHYTBFSKJWPOL-LSHDLFTRSA-N	633.205	5.208	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	150490440	WPCKHQDYPVJNBI-AEUUOICLSA-N	644.672	5.484	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	197826251	BSSYBSBPMJQDTP-MWBNBJEGSA-N	651.107	5.532	50	40	KKGB	
COc1cc(COc2ccc(/C=C(\C#N)c3ccc(Br)cc3)cc2)ccc1OCc1ccccc1	408541398	ZJGFMBSQUGGFII-YZSQISJMSA-N	526.430	7.680	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc2ccccc12	408542504	LWKIVLWBOLIQJA-OYKKKHCWSA-N	528.402	7.342	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542814	LFSDTPMPEVHRQN-ATZGPIRCSA-N	716.370	6.778	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408544827	XTQIRKZGBUHZHK-HAHDFKILSA-N	521.444	7.271	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408555553	XYFBBWKRQBYJKF-YBFXNURJSA-N	561.063	6.032	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(Br)cc1	408578723	ALJSZFAJAKRABD-RQZCQDPDSA-N	538.066	8.162	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408650206	ZWILPOAYHNPQDW-FQEVSTJZSA-N	578.767	5.575	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408711591	AONKAJMNNYKYLE-MNBJERMJSA-N	547.449	6.281	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)ccc1I	408747927	VUQSMRWFMABIGK-WCMJOSRZSA-N	658.334	6.813	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	408783273	LZYSKPZCGSICCR-RUMWWMSVSA-N	555.656	5.122	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1O	408787730	FKWQXFCJMCAEJF-XDHOZWIPSA-N	540.357	5.520	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1	408787939	HSWSPBFPUQPQMV-LZYBPNLTSA-N	505.760	6.919	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccccc1F	408793016	CSKWLVNMJCLVMD-VCHYOVAHSA-N	529.793	6.765	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408796509	PEEVAWJPYNJSEC-BUVRLJJBSA-N	614.452	7.070	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(Br)cc1	408812785	BWNDVRPKNMFJGD-YVLHZVERSA-N	560.217	6.484	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)cc1	408816221	KXSQDYMRZCOBAB-UWVJOHFNSA-N	511.361	5.533	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1ccccc1	408819323	RGQWIJYIPPFCRS-WOJGMQOQSA-N	512.201	6.336	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1cccc2ccccc12	408822574	CGLXTBOQXKHWPZ-RDRPBHBLSA-N	633.542	8.623	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408826718	IYSUQJBPHQNTFG-HZQMBONKSA-N	762.310	5.666	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccccc2C)cc1	408827564	KQBWBDBNEUQAKG-ZCTHSVRISA-N	572.643	5.136	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408833992	SOBYROYWJFLXIL-WPWMEQJKSA-N	609.509	8.859	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1F	408838371	DVUCARZFZKAHGT-XJECJHNESA-N	601.103	8.006	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408880999	LPLGCTKOLIUVBK-HMMYKYKNSA-N	562.261	7.489	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408882614	PLOKNZAVVJKXPW-RPPGKUMJSA-N	575.282	6.174	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1Cc1cc(C)cc(C)c1	408882992	SHACJFJLWLZNMH-KEBDBYFISA-N	513.852	7.799	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(C)cc1	408889191	FKKNQSCKOURTIN-GIJQJNRQSA-N	512.349	6.343	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Br)c2)c(C)c1	408898235	VXHLRENEHSXAGA-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1OCC	408908227	WBENKOCTOIERIA-VTNSRFBWSA-N	598.043	5.892	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2F)c(OCC)c1	408950231	RSSYJNLFGYHBHS-LJAQVGFWSA-N	699.599	5.451	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	408954768	ZRFSLOCXFBFMBJ-HKBQPEDESA-N	677.610	6.611	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408958616	ZNGHURWNIHKRFS-WKULSOCRSA-N	597.280	6.659	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)c(F)c1	408968536	WWAALYHHFNUSDY-IPBVOBEMSA-N	504.718	5.595	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccccc1	408994295	ZCFZMMNEFWLFNF-VXLYETTFSA-N	607.185	6.237	50	40	KKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)c2ccccc21	408997321	FGMHUUHPFMICNG-ZLWVYGHNSA-N	687.563	5.206	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc(OC)c1OC	409006326	NDBJLEXWNPBUPJ-OHRYBXLKSA-N	679.726	6.299	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409010636	CRBKDBDGWKDYBJ-LUOAPIJWSA-N	699.093	6.814	50	40	KKGB	
O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)c1cc2cc(Br)cc(I)c2o1	409013774	VIZGFRYPJQIDHK-YPAHDUIOSA-N	589.187	6.685	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)ccc1OCC(=O)Nc1ccc(C)cc1	409020905	VLFCQVKBRFXRAB-XODNFHPESA-N	605.283	5.406	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)c1	409027255	CLMIXDZFMTVPSG-DPGRRRKKSA-N	558.704	5.808	50	40	KKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409030145	CEDGCTUAMYEBJL-OHUYPAJKSA-N	526.423	7.552	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OCc1ccc(Br)cc1	409049712	ZRBFHNGHZLDZMM-IDWIKUEFSA-N	606.520	7.744	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F	409170460	UWVXULJJGSUMLR-JJKQSNDFSA-N	625.829	5.790	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C	409172915	GNQIPKYLCWVITI-XKJRVUDJSA-N	608.276	5.179	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)NCc1ccccc1	409186988	KNDIENWEQQJDGA-NDENLUEZSA-N	526.228	6.014	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1cccc(C)c1	409222815	DBJFYUDCWQWYBB-UHFFFAOYSA-N	586.044	6.291	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OC(=O)c2ccc(Cl)cc2)c1	409223792	HWSYQXXWMCECCZ-UHFFFAOYSA-N	562.409	6.237	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409224669	LEDWTMJFKHXNAM-IJNNNLDWSA-N	646.925	7.136	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3ccc(Cl)cc3)c3ccccc32)cc1	409227232	UMFPQVVXYJWKHZ-VUXZUVEHSA-N	546.026	5.615	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409227407	YIUDUMYIEHISIW-UHFFFAOYSA-N	606.462	6.636	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1cccc(F)c1	409246216	GMGCLYOIFBRQOF-XKZIYDEJSA-N	570.402	5.674	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409253230	WNFGCXBMOKDIJC-ZRGSRPPYSA-N	590.228	5.210	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)ccc1OCc1ccccc1	409256892	NZAHHCQQZBLCBM-WBIBEUCMSA-N	707.565	6.676	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1	409268871	YWJZKJVLPZBTGB-RODHXAHZSA-N	733.486	8.477	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1OCC	409310482	AKLQFAOWONFDFW-NUJZUDFISA-N	610.730	7.005	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccccc1	409324320	RZQMCXFAGABRAP-MNBJERMJSA-N	500.982	6.271	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1OCC	409326236	ITPKNWPXRXCXQO-YKQZZPSBSA-N	511.018	6.269	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC	409332758	LYMNZCUSYARSNT-FDVSRXAVSA-N	500.954	5.628	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc2c(c1)OCO2	409359935	CNILKFJVOVOXDX-LSCVHKIXSA-N	513.185	6.583	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Cl)c1OCc1ccc(Cl)cc1	409360952	GDUSYLIZYNBKKD-MUXKCCDJSA-N	501.366	5.045	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409363297	LKALHQLTKQIXQM-WOJGMQOQSA-N	538.373	5.468	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1ccc(Cl)cc1	409372741	IJTCWHYYUVLSGI-WCMJOSRZSA-N	567.867	7.006	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccc(Cl)cc1	409383768	GBCWEECVLCTDKS-VCHYOVAHSA-N	543.895	7.957	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384359	BOTBIKOINZWQPT-BRJLIKDPSA-N	602.366	5.665	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCc1cccc2ccccc12	409392540	QGUMCNSVBVKTEB-XKZIYDEJSA-N	601.444	7.371	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409394517	BLGWVECQVQGLNA-UHFFFAOYSA-N	556.449	7.687	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409395754	RIEILMMLCRPQBI-UHFFFAOYSA-N	733.187	8.492	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccccc1	409395775	ROZFNOZNEMUJOZ-UHFFFAOYSA-N	617.297	7.343	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409396721	AKLDUVMXCUULAD-UHFFFAOYSA-N	566.057	7.487	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409398190	RQSBKRBAGLIFBD-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1[N+](=O)[O-]	409399893	AEKYVCPLTWKVNQ-CZEFVEKGSA-N	595.008	5.532	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(Br)c3)o2)cc1	409401619	HSVVEFLRKJJGLH-RODHXAHZSA-N	667.387	8.678	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCC2	1808122	LHOZSCXKPPNZJJ-SDNWHVSQSA-N	515.418	6.916	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1822450	NVDLQQFRPAMJQP-ZCTHSVRISA-N	542.709	5.549	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	1888199	PQLKRBAXSRCYCE-YDYXIROLSA-N	518.982	5.622	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	2279633	PGEIBXPVYVLLBB-JJIBRWJFSA-N	538.625	6.725	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	2296499	NKUSFZDDIRHQRE-MUUNZHRXSA-N	536.682	6.608	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1	2670924	PORAMRBTAGGHBF-YZSQISJMSA-N	524.649	7.436	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cccc(Br)c3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	2888273	UYKSCTSDQWCXNM-UZEPBSNMSA-N	546.490	5.543	50	40	KKGB	
CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Br)cc2)/C(=C/c2ccc(Br)cc2)C1	8448494	OOSZTDJGFNVZTJ-JRVGGCGHSA-N	527.260	5.692	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1OC	8763798	DUIGPBXNIMPHFR-FYJGNVAPSA-N	510.059	6.901	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccco1	12250150	VGBJUZRZKLPUHL-MHZLTWQESA-N	526.662	6.165	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccccc2)cc1	12273753	SQXLZUORQCZRJM-UZEPBSNMSA-N	511.603	5.237	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	13297916	IELRFTCGAHTHSI-SANMLTNESA-N	517.651	5.531	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1	19926448	RLWTZSLOAOWWMF-OVVQPSECSA-N	504.439	5.346	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)c2C)c(C)c1	28217213	SFILTONQKXJMPS-FADJLKOXSA-N	533.720	5.793	50	40	KKGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1OC	33354901	XERXEVJRRAVWEZ-NQUBODRQSA-N	529.980	5.538	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Cl)[C@H](Cl)c2cccc([C@H](Cl)[C@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	68563520	QGMPHGMLCHYYHU-ZDNVTZCJSA-N	604.186	7.839	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	97962822	IKAZTFNGZKDEHT-OCSSWDANSA-N	553.990	5.493	50	40	KKGB	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3cc(Br)cs3)C3=C2CC(C)(C)CC3=O)s1	98007264	LBZOIQBKSGRHRM-INIZCTEOSA-N	536.546	5.803	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C)ccc3C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048769	UUVPBYHAQFYRKZ-LJAQVGFWSA-N	554.672	5.724	50	40	KKGB	
C=CCOc1c(I)cc(I)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	100262437	INYNPTTYWKADNK-MDWZMJQESA-N	553.141	5.401	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1	100336365	WICNFNKUKLNCMD-NDENLUEZSA-N	524.358	5.733	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(C)cc2)cc1	100380086	GQUWTNSNAFYSIU-BIZUNTBRSA-N	574.772	6.087	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1cccc(Br)c1	100833797	BJGKJTUOKNGWFU-JVWAILMASA-N	546.922	6.499	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)n2C2CCCCC2)cc1	100852678	MCHLQGLLJHILAT-UZWMFBFFSA-N	539.705	6.580	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc(Cl)c(Cl)c1	100854648	IXZXPMRPEPSMOK-RWPZCVJISA-N	536.916	7.043	50	40	KKGB	
CCOC(=O)C1=C(C)NC(Sc2ncc(C(F)(F)F)cc2Cl)=C(C=O)[C@@H]1c1ccc(Cl)cc1	100926776	VWHQXEWPGCMPMV-SFHVURJKSA-N	517.356	6.134	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)c1	102718288	PQJISELKELPHSC-HHHXNRCGSA-N	545.064	6.055	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC(C)=C2C(=O)Nc2ccccc2)cc1	102719338	YQJRIOAZPITAGR-MUUNZHRXSA-N	559.091	6.445	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	102808068	LGYBORHBDKLJCX-MHZLTWQESA-N	563.510	7.008	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)[C@H](c3cccc(Cl)c3Cl)C3=C(O)CCCC3=N2)cc1	102888652	BTVSMEJWMYRQRN-SANMLTNESA-N	553.555	8.957	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	103884269	PJAOJUZGZWDLIJ-KQWNVCNZSA-N	591.462	5.591	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)COc4ccc(Cl)cc4Cl)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709436	CGORPTCLBRBHHG-PNADPTQQSA-N	566.485	6.756	50	40	KKGB	
CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341449	WUJQGUDQVVHQHZ-SNVBAGLBSA-N	936.263	13.117	50	40	KKGB	
Clc1c(Cl)c(CBr)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(CBr)c2Cl)c1Cl	150384442	AUYDRPVBGCDORS-UHFFFAOYSA-N	615.618	10.371	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	150425563	YOSFNPLAXYKCOZ-FRKPEAEDSA-N	760.222	8.139	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	162479713	LWJYLJDGRIMHKZ-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	162491201	HEPAFAXQDUDHTA-FMFFXOCNSA-N	639.959	6.091	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164697088	XIZSLHSTUOQWSL-STZFKDTASA-N	662.753	6.542	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	208521789	FYJISTMFVGGHFD-KYMQWJLESA-N	627.116	7.616	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2OC)ccc1OCc1ccccc1	408538357	LMTANEDQNCZRIR-VHFSBPNMSA-N	672.601	7.820	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=N\NC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1	408540187	OGPHKHWEUFIXDX-QHDYCIAZSA-N	530.624	7.160	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C(=O)OCC)c1C	408546908	ORTJIPZDUQYXAA-XNTDXEJSSA-N	546.428	6.696	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408548342	GOZNYZWMAJFNQE-MSXFZWOLSA-N	514.375	6.952	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1C	408551045	AJDKVYRDVPCJMG-WOJGMQOQSA-N	501.568	5.369	50	40	KKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(I)cc2)c1C	408586025	AOICBWRMAAWIGT-RPPGKUMJSA-N	520.802	5.223	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408641360	KBFKMJOVSOIDNF-FZKCQIBNSA-N	686.011	6.462	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)NNC(=O)c1ccc(Br)cc1	408645063	JGBJADLLAGYMAE-UHFFFAOYSA-N	588.842	5.008	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	408726690	UYSMYFUUFFOULL-ODLFYWEKSA-N	590.301	7.678	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1	408726868	CQFMLFDKHRUSLI-VTNSRFBWSA-N	586.928	7.115	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccccc1	408743372	SKTXXZNZGHYUTC-MFOYZWKCSA-N	512.747	6.135	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745520	NECWJEJSQDUBCW-MTJSOVHGSA-N	552.255	8.034	50	40	KKGB	
N#C/C(=C\c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccccc1Br	408759584	HLQNXACSMCFIBZ-RELWKKBWSA-N	547.408	7.520	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br	408760825	ADGMPOOPSPVRFL-SDQBBNPISA-N	529.026	5.918	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(Br)c2)c2ccc(C)cc2)cc1	408766798	GLMZFNSSOMXCGC-NLRVBDNBSA-N	546.512	5.215	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(F)cc1	408787140	SGEIRHNOSMSGQY-KQWNVCNZSA-N	564.455	5.822	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1	408788152	BKTGXWQOZDGVKC-AMVVHIIESA-N	569.989	5.030	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cccc(F)c1	408789620	QHOULBGZGYRVNL-KEBDBYFISA-N	509.375	6.338	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I	408796972	QMYFFJDSPLWVJY-NTUHNPAUSA-N	543.586	5.818	50	40	KKGB	
CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408833569	RVQAFUREUCCYFA-YBFXNURJSA-N	560.275	7.668	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)cc2)c1	408841901	IOZFYMAASGDSBX-VTNSRFBWSA-N	635.312	6.755	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(Br)cc1	408844279	BTSCUORIMQXYIG-MTJSOVHGSA-N	656.318	6.388	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408861106	NEXAYDLIUFPSMR-RUMWWMSVSA-N	573.671	5.019	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	408863407	NVHAZAONHZFEHH-HNSNBQBZSA-N	593.149	6.109	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1	408867850	MFWIUQJYFSDOPA-GRJIBALVSA-N	547.902	6.629	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1	408875799	LAQVEJCJIOKKEC-KCSSXMTESA-N	583.541	6.309	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1ccccc1C	408885889	GKRGCQKYYFGQHU-CCVNUDIWSA-N	576.285	6.270	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1cc(C)cc(C)c1	408889625	HZUOBZBFOKSJBF-UFFVCSGVSA-N	586.857	7.003	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(C)cc2)cc1	408907753	QRENEZRAZIBCHV-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OC)c1OCc1ccc(C(=O)O)cc1	408910676	LGBXJFSDUGGOPQ-KEIPNQJHSA-N	550.611	5.087	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Br)cc1	408921574	BEHTWZCAOYQLCZ-CPNJWEJPSA-N	554.422	5.029	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cc2)cc1	408926742	YBDQOBMRDFDJAR-UQRQXUALSA-N	644.687	7.905	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408946648	PHRZMRDACHPQEA-YNFMAFFXSA-N	633.268	6.277	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCCOCCOc1ccccc1C	408971366	IZJPCPKAXPICDO-VUTHCHCSSA-N	541.442	5.395	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409041616	WMNJJIAVEHBPLV-AABVJFSESA-N	652.401	8.966	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)c1C	409049176	VIMQMJVEDJOZDE-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(C)c(Cl)c3)cc2Br)cc1	409051780	MYMPUPAAHJECJX-KKMKTNMSSA-N	550.678	6.825	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(F)cc1	409052575	KMIXRUVDEZUOIS-KKMKTNMSSA-N	505.771	5.902	50	40	KKGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1	409062948	DIVPTMBIAVQMQG-STBIYBPSSA-N	512.075	5.287	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1cccc(F)c1	409095975	IYEHQTCWZYJZFK-QHCPKHFHSA-N	525.330	5.123	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccc(F)cc1	409097664	NDHSJDOAEXYWJK-XMMPIXPASA-N	586.357	5.355	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409129338	FTVBSQCCLHJWNF-NRFANRHFSA-N	667.197	5.307	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409131391	IIXKKWQEZPAUAB-AREMUKBSSA-N	696.413	6.958	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(I)c3)cc2c1	409185232	UOYMCMXNJOUMEZ-DBFSUHOCSA-N	609.247	7.086	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12	409199815	DYVQPCCJGVCAEY-WCMJOSRZSA-N	539.484	7.367	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1OCC	409301869	GYFXPQBKDXRZQT-LJUMEUDFSA-N	526.992	6.184	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)ccc1OC	409305315	VHYJLXGFXMNOIJ-NUJZUDFISA-N	619.310	5.709	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	409313999	QBOORLBMWMZERO-CPDSRJINSA-N	651.885	5.450	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409315551	JDGYFYGWGOTWOU-RBUKOAKNSA-N	525.841	5.717	50	40	KKGB	
COc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)c2)cc1	409385847	KIVMPEDUIBTHHP-FZKWRIDDSA-N	591.693	6.652	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4cc(Cl)cc(Cl)c4c3-c3ccccc3)cc2OC)c1	409397248	HWNHVFVKYZNUQP-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)cc1OCC	409398632	UYBKADMNZABRMK-UHFFFAOYSA-N	575.665	7.178	50	40	KKGB	
CC(=O)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409400055	BDYIOEHGJKLCEQ-FDVSRXAVSA-N	597.409	5.560	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC#N	409402214	JAUMCWQQOSXPKS-BJUCDSOZSA-N	670.358	6.856	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1cccc(F)c1	409402512	WAEAMTTWZXOXTN-VHFSBPNMSA-N	602.062	7.410	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	1529548116	XZPYLODTBDHZTH-GQQDTJLESA-N	741.462	5.547	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCc1ccc(Cl)cc1	1529549399	XSJQONWYMIFHSX-LNZKYNOCSA-N	749.027	5.417	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	1267562	DMWLAZFOXPZUQI-DEOSSOPVSA-N	555.512	6.761	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccc(Cl)cc1	1770919	QKVUDBRZQMIAKO-MUFRIFMGSA-N	517.058	5.989	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(C)c3)nnc2-c2ccc(Cl)cc2)cc1	1814889	TYDRLFBUJILXLV-LQKURTRISA-N	506.031	5.537	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc4ccccc34)n2-c2ccc(Cl)cc2)cc1	1822946	HSAGOPYTMBYKBP-OCSSWDANSA-N	512.038	6.292	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(F)cccc3Cl)nc3sc4c(c3c2=O)CCCC4)cc1	2232298	WOBTVHWDROIJNN-VFLNYLIXSA-N	541.073	5.669	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)NNC(=S)Nc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1	2704753	IDSFUUFJYKBKGI-UHFFFAOYSA-N	509.060	5.006	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1cccs1	2739960	IBFRSGXGFCQJMB-HRJIBFCWSA-N	512.664	5.725	50	40	KKGB	
O=C([C@H](Br)[C@H](Br)c1ccccc1)N(c1ccccc1)c1ccc2ccccc2c1	3014148	LHOGLIXASJCYPP-DNQXCXABSA-N	509.241	7.404	50	40	KKGB	
COc1ccc([C@H]2SCC(=O)N2c2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)cc1	3015144	QVCRFDJOGZQAPU-XGVLDKRDSA-N	500.407	5.545	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1Cl	4196294	UDIJPTBYOQUGOD-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
Cc1ccccc1[C@@H]1C(/C=N/NC(=O)CSc2nc3ccccc3s2)=C(c2cccs2)Oc2ccccc21	8386692	UYCWQRNYGCIAAE-YVCCNPTBSA-N	553.734	7.496	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	9200894	NKLBHGXSDKXQFY-VULFUBBASA-N	512.360	5.407	50	40	KKGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1	18193383	SOBUFNPZTAANBB-XIIWFIRSSA-N	501.630	6.308	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	28214014	GRZCDINNQSDUQF-KKMKTNMSSA-N	506.773	5.193	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OCc1ccc(Br)cc1	33624456	MPLMXOFUGLUCOE-LDADJPATSA-N	508.328	5.491	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)c1	58914965	WUABSOGIAIPHDG-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
Cc1c(OC(=O)CCl)ccc([C@]23CCCC[C@H]2C2(CCCCC2)c2ccc(OC(=O)CCl)c(C)c2O3)c1O	100304860	BMWONWJISOEWFP-QABMSTFYSA-N	561.502	6.977	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccc(Br)cc1	100852825	RGVQNHWFAMRBAP-MBTHVWNTSA-N	541.858	5.434	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1OC	101507721	XMQBQJMDZWLMOX-RUMWWMSVSA-N	557.720	6.190	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OC	103900633	CWUPJCQZRZQEAE-ZCTHSVRISA-N	608.514	5.626	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	103902405	YJGWPBLRGLGDAO-XZYGTATASA-N	611.642	5.947	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=C\c1cc(/C=C\c2ccc(N(CCCl)CCCl)cc2C)ncn1	104050345	BVNYXORGCHEYLB-VHOZIDCHSA-N	592.442	8.002	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N/N2CCN(/N=C/c3ccc(N(CCCl)CCCl)cc3)CC2)cc1	104084567	YVQPPPUFCBWGDQ-RWRHWQIFSA-N	572.412	5.240	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4cccnc4)(c4ccccc43)[C@H]2C1=O	112255642	SCEJZDARMPRAIL-LKANYEMDSA-N	547.014	5.010	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	150452855	GDAXQDQIEITQKG-QXUDOOCXSA-N	675.609	5.000	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1	164488661	YMSLBMCPYFYEDJ-VXLYETTFSA-N	679.252	6.546	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408537435	FCCNAKOZSZNGFA-OVVQPSECSA-N	566.629	7.327	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540765	VRULGQANOJIXGK-AEVGBRMKSA-N	613.032	7.688	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1OC	408546021	CLCHKWVEAPMWCH-LICLKQGHSA-N	576.465	5.465	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(C(=O)OCC)c1C	408547566	ZAQILAOTBBIOII-RVDMUPIBSA-N	546.428	6.696	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408555566	XZVYTJHWEZCDKL-DHDCSXOGSA-N	579.665	6.972	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408568010	HQFISHVIAPDNBB-VTNSRFBWSA-N	579.143	7.089	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	408570421	UVRBBFPZUIRPDP-VFLNYLIXSA-N	612.398	7.343	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1	408643937	QHZZHAOFURJTTP-FZDBZEDMSA-N	617.121	5.156	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408689594	YRMLSJOGQIHTAZ-YVSFHVDLSA-N	623.556	6.126	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccccc1	408726608	UHTUYKCBUORBSK-HMAPJEAMSA-N	505.412	6.535	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)cc(I)c1OCc1ccccc1	408727413	RXSGLYFYTXLCEI-CVKSISIWSA-N	530.362	5.041	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)NCc1ccccc1	408746235	CSZUUGFABSSMOO-OCKHKDLRSA-N	665.225	5.606	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1	408781107	AGSMBZMZCYKXIJ-UYRXBGFRSA-N	603.344	7.735	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccccc1	408786053	KMWUKXQUVVZGGG-XKZIYDEJSA-N	552.412	6.431	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408788480	DGRIMCZNLXGLAL-RGVLZGJSSA-N	536.382	6.107	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c1	408790822	ZEDCWKWSQODVEW-WOJGMQOQSA-N	516.222	7.189	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(OCC)c2)cc1	408791897	DZKOOKBCYSGWOZ-YDZHTSKRSA-N	621.431	5.863	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408797599	SCIXPXKGWVRLAF-NDZAJKAJSA-N	633.542	8.705	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Cl)c1	408798732	WTUZHHAVAQTBJN-VXLYETTFSA-N	539.760	5.941	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Cl)c1	408798744	WUTVOQZIKVBECA-RGVLZGJSSA-N	643.706	7.985	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OC(C)C	408803216	MOIWBYZTAIFKKT-LZYBPNLTSA-N	524.786	5.985	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408806883	CBTOYOAKDAMFIN-QFEZKATASA-N	557.444	6.422	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408815262	UTVMSNDXAHONCX-JMIUGGIZSA-N	590.301	6.966	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OCc2ccc([N+](=O)[O-])cc2)c1	408835353	WQGHMKFCQXFONM-LFVJCYFKSA-N	570.001	6.960	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(F)cc1	408838134	CGWJVIDLWYMIMI-FABQOPTDSA-N	566.658	7.353	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)c1	408841690	GSUUMZNTLMGDLF-KVAAJVFYSA-N	646.950	7.861	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccc(Cl)c(C(=O)O)c5)o4)cc3)cs2)cc1	408848998	XPUFRTLDFHBHHO-IBBHUPRXSA-N	557.031	7.238	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(C(=O)O)cc1	408849807	ZFVBXCZTXRBPFE-WKIKZPBSSA-N	570.339	5.087	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Br)cc1	408850162	HFFGLCSWJDTQAP-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408858924	UPENCCKLGRWQFI-QJOVZPHJSA-N	628.954	8.220	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408859340	SOHCNICOVLRLAL-AYDKYEQCSA-N	665.009	7.228	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1Cc1ccccc1Br	408877170	UAGXUJWXWSPQGN-WOJGMQOQSA-N	621.700	7.242	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Br)c1)C(=O)Nc1ccc(F)cc1	408880743	IOIXERLRUQXQJW-GZTJUZNOSA-N	530.191	6.475	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(C)cc2)c(Cl)c1	408883881	VDCIFQXYOIDCQM-RPPGKUMJSA-N	572.264	5.605	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1	408890932	IONWWRSUFMJCLZ-XSFVSMFZSA-N	510.999	5.669	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1cccc(C)c1	408926252	WNXCNJUBVLDUID-RGVLZGJSSA-N	617.281	6.886	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	408935438	FLAZODNMMOBNJI-UXHLAJHPSA-N	558.100	5.177	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(CC)CC)cc1OCc1ccc(Cl)cc1	408941487	DSGSPBXRDZZFFU-YTTGMZPUSA-N	664.228	5.650	50	40	KKGB	
O=C(N/N=C\c1cccn1-c1ccc(Br)cc1)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1	408941720	KCRQSNNANNFSSD-LQNQUEJISA-N	517.471	6.935	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OC(C)C	408946009	OQBRHJHFFJZQCK-MZFJOGFUSA-N	607.492	7.007	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(C)cc1	408950402	JVQRGAURAFPYJG-QRVIBDJDSA-N	544.449	6.092	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)c(OC)c1	408954170	NEBYPORBWKPDHD-SAPJXHNFSA-N	685.517	5.030	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1cccc(F)c1	408982358	XRPULOFBKYMLDM-KHIJKKSWSA-N	589.689	5.672	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c2ccccc2)cc1	408982470	XZDMQJNNAWFLIS-KWAQJPELSA-N	606.542	5.897	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)OCC)CCCC3)c1C)c1ccccc1	408982805	ZEAJUIUPBYIQKP-DMGSHAKESA-N	564.708	5.539	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(Br)cc1	409053682	OCHKNSGJPOOOKV-XODNFHPESA-N	627.704	6.757	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409075355	XHZNESNPFRTHTO-LFIBNONCSA-N	506.889	5.672	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1	409124258	AJYBEFOXSNLCPA-STBIYBPSSA-N	544.073	5.119	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1cc([N+](=O)[O-])ccc1O	409140656	LCKMDPMWGAZWNS-IGTHXMFTSA-N	637.446	5.030	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)cc1	409150644	DEKHQJJQRVAVGO-VWJSQJICSA-N	576.959	5.254	50	40	KKGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	409159315	SOUNVVOZPADGRP-WKULSOCRSA-N	563.279	6.594	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	409181209	ZDBASZMNVZACQS-LNUQQZDSSA-N	575.668	5.731	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1	409220159	YTLRAPLFHAYHEU-LICLKQGHSA-N	647.707	6.215	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc(I)cc1	409229981	WIBDPNXFRPRIHK-KKMKTNMSSA-N	610.905	5.572	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(Br)cc1	409230020	ATQVWGNYZZRLQP-LGJNPRDNSA-N	529.460	5.076	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)ccc1OCc1ccccc1	409253385	BOVAQTXNAMONGE-AEUUOICLSA-N	650.957	7.170	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1	409265801	PGVPXFIMCFRZDP-JAIQZWGSSA-N	508.405	6.482	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)c1	409267980	YMAMPHDTPGDKNW-YBFXNURJSA-N	572.381	6.648	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409268674	XKGKBXBIDLLUDJ-JAIQZWGSSA-N	593.434	5.936	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(C)c2)c1	409271310	UPMAGVWZTJJDDA-QDTIIGTASA-N	589.284	5.618	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409303169	LXKBTGUBUABLSE-DICXZTSXSA-N	581.872	5.432	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OCC	409316295	YJKXTRZPPFVNDO-CAQPMQTCSA-N	612.521	6.125	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409317845	RVMGIUMPERHAFO-DXJNIWACSA-N	565.047	5.849	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409327873	XLRZNMIGPDGXSQ-KYMQWJLESA-N	647.198	6.712	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409381209	KSHPEXCOUJYWDG-BOPFTXTBSA-N	554.372	5.256	50	40	KKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1ccccc1I	409384004	UYYABWYDRMDSEZ-SFQUDFHCSA-N	513.429	6.965	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409394537	BVYQEOXWVJJUQZ-UHFFFAOYSA-N	690.348	7.868	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409396330	XTBOOHXIPZVFDG-UHFFFAOYSA-N	568.973	6.388	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(C)cc(C)cc2c1-c1ccccc1	409396820	BPBVCJRFYOTDKR-UHFFFAOYSA-N	552.030	7.097	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396881	CJYWNKYEKAIHEJ-UHFFFAOYSA-N	594.580	5.752	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409397962	PTYRIHKDQCSRPS-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398901	WHTKFUJFDFXWPI-UHFFFAOYSA-N	658.107	6.905	50	40	KKGB	
CCOC(=O)[C@@H](C)n1c(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409406091	WADWANBILMDDDE-JGUDRBOASA-N	566.658	6.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	1529545008	UASCYDSJHMFARE-UUTVKSQHSA-N	655.546	5.052	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1	1529547956	SHGZZTPTJBGRGV-XINRNAFCSA-N	706.446	6.220	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1761778	DNRWIMLZCYXNSJ-UXHLAJHPSA-N	529.666	5.491	50	40	KKGB	
Cc1cc(Cl)ccc1N[C@H](C)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1	2100203	WPJMQNDWTGLUGZ-HDFIIFABSA-N	500.824	5.941	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nnc2-c2ccccc2)cc1	2214871	CUESCCCMVMWRCJ-WKULSOCRSA-N	511.529	5.204	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Br)n2-c2ccc(C)cc2)cc1	2348298	RICBWACLADYVJC-JFLMPSFJSA-N	520.456	5.556	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c4ccccc4cc4ccccc34)n2-c2ccc(Cl)cc2)cc1	2589254	FQHVKNFHKFIDCC-ALQBTCKLSA-N	562.098	7.445	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2C)cc1	3115729	RBIHEZXRRVVIEZ-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
COc1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	4045296	LXVFCPQOZQMSBZ-WTZFPKOTSA-N	511.987	6.550	50	40	KKGB	
O=C1c2ccc(C(Br)Br)c([N+](=O)[O-])c2C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21	4265555	FOELCIUYGBBWIG-UHFFFAOYSA-N	562.812	6.772	50	40	KKGB	biogenic
COc1ccc(-c2nnc(SCC(=O)N/N=C/C(C)=C/c3ccccc3)n2-c2ccc(OC)cc2)cc1	4464423	GYVPSAGCDCRSSL-WLOALONVSA-N	513.623	5.249	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)cc2)sc(C)c1C	6167261	PUFSWKNULBKDBA-HMNPYCRMSA-N	549.693	6.009	50	40	KKGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CC(C)(C)C3)c(OC)c1	8456018	GTBCOQQIQWYGCY-QHCPKHFHSA-N	538.988	5.215	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1	13598523	DIGJPWLXLOOYCZ-QRQIAZFYSA-N	510.450	6.182	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	20348539	CYAPDKGQIJJIIM-QHCPKHFHSA-N	514.434	5.790	50	40	KKGB	
C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O	43215343	JCIYFFNGTHMEDE-WHZQRHGDSA-N	529.888	6.298	50	40	KKGB	biogenic,in-vitro
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(Cl)cc1	59427669	XUCSSEGNJRFWPK-UZWMFBFFSA-N	520.976	7.137	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCc1ccc(Cl)cc1	97962812	ALUPAGDLLGKGPA-DPNNOFEESA-N	530.024	6.124	50	40	KKGB	
C[C@H]1CCc2c(sc3nc(/C(C#N)=C/c4cn(-c5ccccc5)nc4-c4ccc5c(c4)OCCO5)nc(O)c23)C1	97981612	LANQFBZRUUQBKO-OFBHVFLISA-N	547.640	6.210	50	40	KKGB	
COc1cc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)ccc1OCc1ccccc1	98048439	YUYFJZRXBMDBDL-HSZRJFAPSA-N	532.065	6.456	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccc(C)s1	100110878	ICHIRCFPZGZKOF-SANMLTNESA-N	609.571	6.534	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1OCc1ccccc1Cl	100605426	UOMQTKVOKYXQPE-RCCKNPSSSA-N	548.982	6.249	50	40	KKGB	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4[nH]3)c2)C[C@@H](C)O1	100900630	CJNBMBXOVCPPPN-LKAJHSILSA-N	564.671	5.278	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)cc1	100989346	MFRPSUDIVXXUBR-YDYXIROLSA-N	536.426	5.962	50	40	KKGB	
CC(=O)Nc1ccc(-c2cc3c(c([P+](c4ccccc4)(c4ccccc4)c4ccccc4)c2O)[n+]([O-])c2ccccc2[n+]3[O-])cc1	101239274	BHJFYLQUQDPUOQ-UHFFFAOYSA-O	622.641	5.210	50	40	KKGB	
CCc1c/c(=N\NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3	101344931	CDMIRRJXRZLJEW-JQARWFLUSA-N	545.680	6.221	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	101558671	YRXNUVHMQPWRGM-MHZLTWQESA-N	564.494	6.805	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccccc3F)Nc3ccc(Br)cc3[C@@H]2[C@H]1Cl	102070533	ZGQBLUUGPANQGY-ADPKEXQPSA-N	533.850	7.535	50	40	KKGB	
C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	102454235	MGRAAYPCKABNEB-GCTJTGTQSA-N	607.132	7.556	50	40	KKGB	
N#C/C(=C/Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	102811553	OAUMGOHWNCWGIP-XFXZXTDPSA-N	513.304	5.703	50	40	KKGB	
CCOP(=O)(OCC)C(C#N)=C(SCn1c(=O)oc2ccc(Cl)cc21)SCn1c(=O)oc2ccc(Cl)cc21	103549039	DQWBQQOIHJBNPO-UHFFFAOYSA-N	616.441	6.850	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	104954131	YAKXPYHUBWGVMN-GZTJUZNOSA-N	525.233	7.305	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c(C(=O)OCC)c1C	107957379	MMQQNXASYHVZKP-FYJGNVAPSA-N	582.074	6.370	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](Br)C(=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C	118923885	YNWYOSBEGUAVTN-CVDMYVLSSA-N	525.524	5.719	50	40	KKGB	
O=P(CP(=O)(c1ccccc1)c1ccccc1)(CP(=O)(c1ccccc1)c1ccccc1)c1ccccc1	140573043	GPDBOGDYDXUTRD-UHFFFAOYSA-N	554.503	6.618	50	40	KKGB	
O=S(=O)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O[C@H](Br)CCCBr)c(Br)c1	150437975	FKHCRYAXTUMUMS-AWEZNQCLSA-N	779.759	7.550	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	150494954	UJJUENMPSLMEHT-HPNXWYHWSA-N	671.617	7.025	50	40	KKGB	
COc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	408539430	HNYWTCLHRMBSAJ-MNBJERMJSA-N	545.433	6.380	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)N4CCCCC4)cc3)c(OC)c2)c1	408542977	MMNIGKKMKKNKJQ-UQQQWYQISA-N	525.605	5.455	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552507	QJHBENNBWJZEEQ-ULPWCQAASA-N	644.147	6.699	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br	408553092	XBDCUIUPRLOOBT-NTUHNPAUSA-N	535.261	5.968	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408590484	PBSFXDZPMGYNCH-KVSWJAHQSA-N	603.671	6.993	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1Cl	408598771	JNOAFCNGCLFNNW-KKMKTNMSSA-N	614.223	6.248	50	40	KKGB	
O=C(NNc1ccccc1OCc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408603689	GUTYGTTZSFBHGY-MRXNPFEDSA-N	504.801	5.722	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408651968	CSYUGWUGINQCFP-WWLYMPJPSA-N	666.366	5.389	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408652573	PCGUMWUDKWYFAX-CHKVQHFGSA-N	622.741	5.137	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408657628	NGLYQPUPXKNZMS-PCOYHTPPSA-N	707.437	7.268	50	40	KKGB	
O=C(O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	408681893	JQSAPPVZCTWQMQ-PZJWPPBQSA-N	533.172	5.902	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408689781	ZAZZZOKOCCPHMS-YEYGNOCGSA-N	601.122	5.329	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)Cn1cnc2ccccc21	408691801	QVSXUXSSHWYMJA-APSNUPSMSA-N	686.118	7.738	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(I)cc1	408711704	GYDZQQODSYXFFT-WYMPLXKRSA-N	580.176	5.305	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1	408727323	ZXXWWKHGVDZUME-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
C[C@@]1(C(=O)N/N=C(\COc2ccccc2)c2ccc(Br)cc2)NC2(CCCCC2)Cc2ccccc21	408734376	OXXFBNTXHDUCGE-WSEOFMDISA-N	546.509	6.112	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc2c(c1)OCO2	408743884	HWGMWSYPRDAVKB-OCKHKDLRSA-N	568.367	5.462	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)c1	408744204	DJXCIYIZSAMZKA-ODLFYWEKSA-N	633.280	6.586	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)ccc1I	408747474	OKDSQTMJYNVXDC-KKMKTNMSSA-N	658.128	6.476	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1cccc(C)c1	408747800	TXKIQMQWUGMXAP-ODLFYWEKSA-N	556.254	6.653	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1	408752020	FLZCRKGPYPGGEL-QXUDOOCXSA-N	559.707	6.096	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc(Cl)c1Cl	408754443	NLBFLZDWVVRMJR-RVDMUPIBSA-N	518.334	5.215	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)cc(C(C)(C)C)c1O	408759465	FMVRGFQHQGXHPV-FADJLKOXSA-N	586.754	6.991	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408759626	IEJBCMVLJREIDP-PXLXIMEGSA-N	513.391	6.736	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408760223	USAJLKNKZRNZAO-MFOYZWKCSA-N	685.097	6.783	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)C(C)C)cc1	408762712	KZAXIFGDLLWAEB-OLDVOZSVSA-N	529.662	5.180	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1cccc2ccccc12	408764780	VKCWNULGJWMOBG-HZHRSRAPSA-N	574.418	6.968	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1Cl	408778115	BERMNUAXUOWQBY-KQWNVCNZSA-N	580.910	6.336	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408781936	DFSSORZEFUTWHH-BIZUNTBRSA-N	582.638	5.564	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)cc1	408785147	ZBWVHPWOZUKUTM-AJBULDERSA-N	523.614	5.347	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408792903	BYEPWZSASGXKSE-DJKKODMXSA-N	511.361	6.133	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408793449	OVODZPUFSUCZSW-VCHYOVAHSA-N	662.234	5.873	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(I)c2)cc1	408794052	HGOUHZOMXDZTDS-YBFXNURJSA-N	512.322	5.863	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(C)c1	408794327	IBWFYTUEXBRWBI-UDWIEESQSA-N	506.356	6.099	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794366	SBLISNXOWHIAJD-WGOQTCKBSA-N	564.439	7.024	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(I)c2)c(C)c1	408796354	NUPCGDQMQHSBLA-WSDLNYQXSA-N	533.369	5.904	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)cc1Cl	408821019	BMZYJDBOZHZGEH-CAOOACKPSA-N	639.273	6.748	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408839039	LYSPJPNPXLJVIY-KULFSUQXSA-N	711.421	8.605	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408839240	PGDYACDPRSUGJB-KBVAKVRCSA-N	591.531	7.352	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5ccc(Br)cc5)c(I)c4)cc3)cs2)cc1	408839453	SLGWNARFAJEKJI-QNVXDBMFSA-N	849.330	9.177	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCC	408842143	MOOKRMQMRPJOFA-KVSWJAHQSA-N	571.419	6.158	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408842875	LKSWKTGKJGXKGB-ZHSUKTGHSA-N	678.487	7.247	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1	408854687	ABSILHKTSYVJJP-WKIKZPBSSA-N	589.227	6.451	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1	408854775	AZIREXICMYQSQE-YVNNLAQVSA-N	529.641	6.765	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])cc1OCc1ccccc1	408867780	NOXHCRPTEAEBEC-XKJRVUDJSA-N	618.455	5.694	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c(OC)c1	408870638	WXGWIGHXGYNUQS-DJKKODMXSA-N	623.274	6.418	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1Cc1cc(C)cc(C)c1	408883321	PDRCBNDOKNXTRY-OGLMXYFKSA-N	595.537	8.180	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408890315	RGDRDDWUDHKHMI-FABQOPTDSA-N	685.572	7.840	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	408896123	MZLFVWBPYKHVIY-MHWRWJLKSA-N	556.756	5.784	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Br)c1)C(=O)Nc1ccccc1F	408900620	WWSKLJOJWZMUDL-GZTJUZNOSA-N	530.191	6.475	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)c(C)c1	408910440	WPISCVLPZBFHFH-KBVAKVRCSA-N	550.453	5.698	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	408914291	WEYOIIIEWAGUFE-FFWFIYGGSA-N	551.474	6.112	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccccc1C	408921374	AQCHZQOFYMDRGW-FMFFXOCNSA-N	620.487	5.964	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2cccc(F)c2)cc1Br	408943493	HQADSQLMRYMGRS-GDLZYMKVSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1cccc(Cl)c1	408945070	KBPNMRCADXADLN-MUUNZHRXSA-N	672.001	5.567	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)c(OC)c1	408956266	QGADDTXELVDQII-VOSMKULASA-N	764.855	6.173	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)c(F)c1	408963702	AJCWEVNMPUKDKE-IPBVOBEMSA-N	575.188	5.263	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccccc1	408976258	AFFRBULZLNGULD-UTTKBSPJSA-N	571.699	5.533	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccccc1Cl	408976274	AIBHLQWRRQJKHG-KHIJKKSWSA-N	606.144	6.186	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)Oc1ccccc1/C=N\NC(=O)c1cccc2ccccc12	409009717	BNXQWLXQGOECOA-QJHDHCORSA-N	575.020	7.095	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	409032354	CVMRRCZLPFKEDE-HNSNBQBZSA-N	593.665	7.204	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OCc1ccccc1Cl	409048286	VZSLFPJFRAUAFY-LQKURTRISA-N	562.835	6.005	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1	409066008	ADMGHKONAXDDHJ-NTEUORMPSA-N	612.683	5.884	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	409110005	PHHOMAURXXAQOF-ATZGPIRCSA-N	768.855	6.640	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)C2=C1CC(C)(C)CC2=O	409137778	XUBLENJQCKBLGU-VWLOTQADSA-N	600.941	6.073	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409162470	FFDVCEBBTTXHPN-KVAAJVFYSA-N	670.548	5.214	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409169008	ORJJTNKCNBDHMN-PNQUVVCRSA-N	673.266	5.242	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(I)cc4)c(Br)c3)cc2c1	409187270	OGKMHXYLGXCCHV-DBFSUHOCSA-N	698.149	7.304	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2o1	409191912	QEKZCWLOIKUHEL-ZMFRSBBQSA-N	518.942	5.695	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	409210259	JNGBTBNNWOJRAW-RPPGKUMJSA-N	524.267	6.577	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1	409215902	BYZHQZNQGZRYPA-WKULSOCRSA-N	539.882	7.077	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Br)cc1	409218563	GBUXISJLVOWJCM-RWPZCVJISA-N	576.285	5.891	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409223143	GSNDTCLGKQPEPI-VCHYOVAHSA-N	588.380	6.348	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1	409239126	GMLHAKGDXKSADJ-IWEBCOIVSA-N	574.700	7.228	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(Br)c2)cc1	409248578	DUFREHFKJBNXKU-PPDIBHTLSA-N	579.676	5.955	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccccc1	409253656	GHZXYDSZEVQDJP-OHUYPAJKSA-N	582.085	6.989	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl	409262344	GXFJAIZMLVDTRZ-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)c1	409262772	JYYQJNWJOSZRJG-VCHYOVAHSA-N	528.823	6.827	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccccc1Cl	409269954	MOGBMMXJGKHUPU-IFBDVWKUSA-N	570.871	5.583	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)ccc1OCc1ccccc1	409301021	BXXHEIWGAGWZRX-HQDYHJHZSA-N	632.511	6.135	50	40	KKGB	
Cc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1	409326383	JZGMJHNZQNXHAL-KRWDZBQOSA-N	504.837	5.430	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1cccc(Br)c1	409327168	QMLFFNAMVKIGSB-ROUUACIJSA-N	526.239	5.427	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)ccc1OC	409327526	UVHFATDJNWCGQT-MNDYBZJGSA-N	547.486	5.976	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCC	409334079	ROCOSMBTBLYRIL-NTFVMDSBSA-N	574.415	5.440	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2c(F)cccc2Cl)Cc2ccc(Cl)cc2)c(C)c1	409367593	BACHTNZOKRSXJX-DBFSUHOCSA-N	536.456	5.399	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc([N+](=O)[O-])c1	409371405	INXSNCUTEWRKCK-ZRGSRPPYSA-N	600.278	5.005	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCC(=O)Nc1ccccc1	409373370	IEMOXMODCXPSNW-UNOMPAQXSA-N	531.410	6.114	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1	409374145	YYEMZRCZIUSDKU-WKULSOCRSA-N	507.359	6.093	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(Br)cc1	409386745	RTEDKQYEJZMAFT-KKMKTNMSSA-N	574.840	6.577	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(O)c1	409393212	VQQGSGYGAXTFJU-YPXUMCKCSA-N	603.094	6.576	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409396644	ZQDZWDCLILKIHG-UHFFFAOYSA-N	714.241	9.267	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409398710	VIBJZYKWVZMYPX-UHFFFAOYSA-N	567.985	6.209	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409399338	ZQRJEBCRIYQUSK-UHFFFAOYSA-N	630.837	8.797	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	1529548197	YWIKITDZOPTIDO-IMBFNDCQSA-N	785.342	6.982	50	40	KKGB	
CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@H]2O[C](CC=O)CC[C@@H]2O[C@H]1[C@H](/C=C/I)O[Si](C)(C)C(C)(C)C	1560404560	CFQCQFDMDRBYCK-LLZFBGMUSA-N	737.961	9.648	50	40	KKGB	
O=C(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)Br)C(F)(F)F)C(F)(F)F	1772820748	HRMNXIPBCXQKQH-STHAYSLISA-N	508.959	5.145	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1	1790125	QRNWTAZWVSYATF-CKVBZJJFSA-N	522.399	5.653	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)ccc1OC(=O)c1ccccc1	2051872	GNKWAOFNKFRFCM-RWPZCVJISA-N	525.399	5.213	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	8411390	LGGQUIFNPWHYGW-XMMPIXPASA-N	504.612	5.594	50	40	KKGB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=CC(C#N)=CN12	13138588	BAHWTZLXOWHIGV-ZRBLBEILSA-N	515.407	5.244	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	33357720	VAMXWPJPVBHBDL-SANMLTNESA-N	545.060	6.361	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Br)cc1	59254488	SLNNWLVZMVXQBO-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(C(=O)O)cc1	97960691	VJJWBSPLELMHRB-HMAPJEAMSA-N	551.426	6.943	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	97960710	XXHZTKVVKQESIM-ODLFYWEKSA-N	694.263	6.117	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	97960988	SHFLZJMGYUMAGK-RQXXSLPSSA-N	557.738	6.948	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)ccc1OCc1ccc(Cl)cc1	98045564	VREPLLZQHMHZGD-WXVAWEFUSA-N	548.039	5.185	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cc(Cl)cc(Br)c1O	98045819	PGOXQAHHVXQPDV-BNWUJJENSA-N	711.811	6.236	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1	98045845	UWTUMCKBVCUMTO-OCSSWDANSA-N	624.508	5.716	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)=C(C#N)[C@H]2c2ccco2)cc1	98048607	INTHHSATUMEODS-MHZLTWQESA-N	557.632	5.765	50	40	KKGB	
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC[C@@H]1O[C@@H](C(F)(F)F)CO[C@H]1C(F)(F)F	100061739	RZEXCUSSDZJJHD-RRKCRQDMSA-N	562.216	6.107	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccc(I)cc1	100063169	RUPYMTZBHZOVAW-AFUMVMLFSA-N	549.206	5.326	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	100126851	JSNNYBWWSJMWFL-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
COc1ccc(Br)cc1/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl	100291620	TWKVFPOZNYXYPI-WKIKZPBSSA-N	543.874	5.752	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	100952682	BTMBQSKEXIYESY-OYKKKHCWSA-N	551.470	6.932	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	102139663	RIVOCWVLNAQVDC-TZBSWOFLSA-N	578.037	5.945	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	103890117	YKPKUYTVLZBGGI-QPEQYQDCSA-N	528.186	5.252	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1cccc(Cl)c1Cl	103891064	SGZMOODIVKQWCM-ZDLGFXPLSA-N	527.205	6.752	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	150385635	CXHQSDDDAKWOSR-AABVJFSESA-N	623.484	6.765	50	40	KKGB	
COc1ccc([C@@H]2[C@H](C(=O)OCc3ccccc3)[C@](C)(O)C/C(=N/NC(=O)c3ccccc3O)[C@@H]2C(=O)OCc2ccccc2)cc1	150389643	XZIIAFVBBJPEML-WERGVBQQSA-N	636.701	5.144	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)oc12	223479442	WLFHOPYWZOFPBV-CCVNUDIWSA-N	510.432	6.378	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)ccc1OCc1ccccc1	408537380	DGTVNWPBOANXNA-ZMOGYAJESA-N	641.473	9.115	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2Br)ccc1OCc1ccccc1	408538492	NUENMYSXVGYWKQ-WIMUOEIGSA-N	826.611	10.708	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)Cc3ccccc3)cc2OC)ccc1OCc1ccccc1	408539942	KTYOBLDTXLKHTF-APTWKGOFSA-N	589.486	6.317	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc(Cl)c1	408599286	RWIJMZNHLAUCFZ-SOFYXZRVSA-N	572.511	8.815	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408681651	IABJPIYVTHNZOS-MSPXFKQSSA-N	635.567	5.982	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408746175	BZEXGFBMLNCPDK-SXGWCWSVSA-N	656.087	7.080	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)ccc1I	408747006	JCYGRVXBNSPRDX-UVHMKAGCSA-N	609.258	5.722	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccccc1	408754171	MGJWIRNDLFEJOZ-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408768841	KEDOSGYKTAUDOR-RZNTYIFUSA-N	502.623	6.420	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccccc1Cl	408784204	UNXKVVGYUYGDJS-MTJSOVHGSA-N	586.857	7.085	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408785760	YWNYXXZTHAKFLI-MTJSOVHGSA-N	525.432	7.304	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408789447	JHVMKTLADXBKTH-DEDYPNTBSA-N	507.384	5.981	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408789553	KATISMHFTOZKSR-VXLYETTFSA-N	651.284	6.908	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408790137	UCQASIFSJYTTLO-RGVLZGJSSA-N	536.382	6.189	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I	408792814	CPPFNQIYHRKHFO-MKMNVTDBSA-N	650.638	5.345	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408793522	FGKDWRISJZPTQU-WOJGMQOQSA-N	538.354	5.586	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1	408795819	NFVQXUVPUFKNAU-OEAKJJBVSA-N	563.448	6.458	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Br)c1OCc1ccc(Br)cc1	408800323	LYTKVEOACHHNPB-YBFXNURJSA-N	604.726	7.697	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1cccc(Cl)c1	408801147	RQNJCHIPQGYQRE-VCHYOVAHSA-N	546.248	7.279	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1c(C)ccc2ccccc12	408802981	JWBBXBXYDVFYNP-HYARGMPZSA-N	622.890	7.930	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1c(C)ccc2ccccc12	408808227	FOYQIGROSAJOSQ-WSDLNYQXSA-N	531.439	7.897	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1c(C)ccc2ccccc12	408808972	GONONTHMLZFAMU-MFKUBSTISA-N	569.499	8.051	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1	408811823	WKJUKQGJMALOJR-CPNJWEJPSA-N	507.804	7.925	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408815467	QILSWYYVMSYFRG-CPNJWEJPSA-N	552.255	8.034	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408835208	NESNDHSCSPFHHB-OEAKJJBVSA-N	618.871	7.714	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408842381	OJQZCMSFMQHRPH-JBFMKSPFSA-N	651.188	7.450	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2ccccc2o1	408843097	DFECDWPZCNZTMI-PPDIBHTLSA-N	562.645	6.954	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408844375	NXVNWLWTWHWDMG-NOPDUFPGSA-N	802.353	10.183	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccccc1Cl	408853231	QBSPHGSEKLKGMU-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1	408854566	ILVKKKKGXXHAFZ-WKIKZPBSSA-N	558.226	6.309	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1F	408858598	QQPBVJSHZHHIRP-DBSPGSINSA-N	582.075	7.987	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408858671	KFLUZPYQEYRPMD-ALQBTCKLSA-N	642.561	6.325	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(Br)cc2/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1	408859776	ZNPPBZIQRRDKRI-PPDIBHTLSA-N	572.209	5.999	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)cc(Br)c1OCc1ccccc1Cl	408872548	GDFRAAQIPCJQAJ-KVSWJAHQSA-N	568.320	6.727	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)cc1	408880452	KAJFJNJCJJZURW-LGJNPRDNSA-N	626.232	5.556	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc([N+](=O)[O-])ccc1O	408883388	PNHVILHDHSAXDO-MRUKODCESA-N	583.620	5.822	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408883697	UKDUHEOYTRBXIV-GIDUJCDVSA-N	626.088	7.551	50	40	KKGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1c(Br)cc(C)cc1Br	408891649	UHQDCGRNURGZLL-KPKJPENVSA-N	529.026	5.837	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OC(=O)c1ccc(C)cc1	408898457	LMKLGORFEGNOLX-VCHYOVAHSA-N	540.359	6.374	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1c(Cl)cccc1Cl	408898508	LYOUFRJRHHXKGN-OVCLIPMQSA-N	615.536	8.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1cccc(C)c1	408921619	BKKUGBGCSYQWGV-RGVLZGJSSA-N	663.204	8.114	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	408924853	OXTDWDNOIZKKIR-HAVVHWLPSA-N	523.419	8.424	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408926187	VUWFNWKTTOVUOX-KKMKTNMSSA-N	570.838	5.145	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c(OC)c1	408947912	BQEPPQPVBYOGHT-BUMGRRTCSA-N	701.574	5.910	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(CC)CC)cc1OCc1ccc(Cl)c(Cl)c1	408954361	ZATHTIBJHKVXSZ-JGCGQSQUSA-N	698.673	6.304	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCc2ccccc2Cl)c(OC)c1	408957875	WOKVILCEQGUQTF-OEISHWKDSA-N	715.985	5.419	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(C)cc1	408983973	OYEPYUUJHLYYKE-JMIUGGIZSA-N	525.830	6.853	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408985978	YYSRLQISFWNEPD-RGVLZGJSSA-N	525.388	6.523	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	409013505	KOGQEZPBILHPOG-JRJWPWEDSA-N	585.315	7.009	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020237	MYRXDGJILAJOEE-BKATUZMVSA-N	615.774	7.417	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1cc2cc(Cl)ccc2o1	409022192	IFIDNBXYIFSJHG-DANHRZQXSA-N	542.633	8.043	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1	409029632	BZVFEKBXCIOIQA-FABQOPTDSA-N	647.900	7.511	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)ccc4OCc4ccc(Br)cc4)cc3)cs2)cc1	409034893	IHXAWDFALIRMGC-KVAAJVFYSA-N	631.983	8.621	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1Cl	409054045	QLDGZCXPOBGREK-LUOAPIJWSA-N	571.096	7.170	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409064384	DGPSEMWNPQFKPX-PXLXIMEGSA-N	537.037	6.007	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409133888	UUTRVIUKEOJHGC-JOCHJYFZSA-N	564.263	6.548	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409135342	YMYCNHCLBUHSHR-KEIPNQJHSA-N	650.113	5.553	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1	409141402	HVOHOSXYMDRYMZ-ATZGPIRCSA-N	633.985	6.799	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)c(Cl)c1	409152042	JGZYBSGJDWYIJE-KPGMTVGESA-N	576.908	7.192	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1	409172001	AMLUXMZLJXYOJR-IBBHUPRXSA-N	707.363	5.430	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccccc1Cl	409173869	KXBGXCZCYMJZCX-VFLNYLIXSA-N	563.825	5.152	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)cc2c1	409186535	DKJHKWDOJKYDEA-BVMLUPFRSA-N	645.425	5.755	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409219755	PXQQMSRZEVXOAZ-YBFXNURJSA-N	626.407	5.470	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1	409225706	NZSUPMYPQFSDMS-UHFFFAOYSA-N	635.312	6.755	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1	409248082	JVUKTYIKAWSBSR-FPJJECCMSA-N	539.857	6.865	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)Nc1ccccc1	409249772	OOMMVIZDFZJGJJ-WQRHYEAKSA-N	588.380	6.430	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409260164	LVJXVPHBVJFXAH-MBTHVWNTSA-N	524.415	5.246	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409264896	LQAQSGFRFOQWOD-YBFXNURJSA-N	599.400	5.619	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409268089	ZJFUDQSLHMBOEC-YBFXNURJSA-N	505.958	5.234	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1OC	409333990	KSRJSLHRQUZNDL-FDVSRXAVSA-N	617.294	5.566	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409342635	GWBQZSVNVLTQEH-IPBVOBEMSA-N	569.656	6.145	50	40	KKGB	
CCc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409367731	JSKLBZHGWROHII-MWLSYYOVSA-N	512.075	5.169	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c1	409367863	INBCIYTUHJJNRW-KKMKTNMSSA-N	673.676	5.851	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(F)cc1	409372902	NTQZZFHKDGUUPI-VYYCAZPPSA-N	577.350	5.009	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409375439	KTDLGLYCJMLJRI-DEDYPNTBSA-N	564.436	5.728	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1	409380849	PONQSKKWSDWWIS-LDADJPATSA-N	568.399	5.559	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1OC	409382846	RYNJXWMKNWDZHJ-XMHGGMMESA-N	505.958	5.310	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	409383926	PLUDAJZTKAVTIM-KVSWJAHQSA-N	615.251	5.967	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409385944	MPJLPBBDOCJGOC-RPPGKUMJSA-N	589.265	6.677	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccccc1Cl	409394711	DZGPQPMIGHAORM-UHFFFAOYSA-N	590.836	7.373	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409395073	JMAFVCZVIQMFLW-UHFFFAOYSA-N	705.363	7.317	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(C)=O	409395205	KYURWZLGHDKGQE-UHFFFAOYSA-N	739.804	7.930	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(OC)c3)c(-c3ccccc3Cl)c2c1	409395655	QHGAMIMLSKAGDT-UHFFFAOYSA-N	725.821	8.404	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(F)cc4c3-c3ccccc3Cl)cc2OC)c1	409396858	CBHXZVZAWATKLZ-UHFFFAOYSA-N	571.992	6.628	50	40	KKGB	
COC(=O)[C@H](C)n1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409400101	BIOGXWNDZCEJFC-SQPGUAGDSA-N	538.604	5.719	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3ccc(Br)cc3Br)o2)cc1	409401159	GPTQKPWKKFEYPR-QMRORBIVSA-N	722.390	8.042	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCC(=O)O)cc4)c3C)o2)cc1	409404731	QTYOFYCDXAUFCF-HQDYHJHZSA-N	580.641	5.901	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3Cl)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1	673572	OLBYAZHIHOFXNR-XDBZFTIUSA-N	557.006	5.964	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	1438106	QZDVZXIEAUGERQ-VWLOTQADSA-N	535.094	6.417	50	40	KKGB	
CCCCc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1	2202564	PVHIWRRFSPUHRU-JXAWBTAJSA-N	506.425	6.998	50	40	KKGB	
COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1	2342165	VUVZBWSZJVMJKM-YDYXIROLSA-N	534.435	5.523	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc(C(C)(C)C)c1O	2775745	SDWRDSKGEVVIJC-OKCVXOCRSA-N	526.033	6.892	50	40	KKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	2807748	BMYWBJFQVWLYCO-BUVRLJJBSA-N	511.419	7.344	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)/C(=C/c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)o2)cc1Cl	3139659	CIXYYWGWDFPITD-FMIQICTQSA-N	527.024	5.896	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CC(C)(C)C3)cc1	3669705	MCJQFZUEIVKIAX-DEOSSOPVSA-N	512.679	6.117	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)C(Cc2ccccc2)C(=O)N/N=C/c2ccc(OCCCC)cc2)cc1	6480825	LRFRPAGNMTZLRF-IENBMRAWSA-N	542.680	5.504	50	40	KKGB	
CC(C)(C)C1=C/C(=C2/N=C(I)C(I)=C2I)SS1	8448154	VAWNEOMPARAEFC-UITAMQMPSA-N	601.054	6.452	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1	20347550	KDIRCBWPEXGTNH-DEOSSOPVSA-N	508.043	5.754	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	28217899	PTOACWXZAVPREI-NSKAYECMSA-N	509.187	5.502	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(Cl)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	30742622	PPNNVQQCRCGWCL-LQNQUEJISA-N	518.086	6.436	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)NC(C)=C1C(=O)Nc1ccccc1	97950462	CRTKMHJLTFFMHT-GDLZYMKVSA-N	538.673	6.100	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1	97960688	SQJGTMKHNJETFE-CPNJWEJPSA-N	650.254	6.419	50	40	KKGB	
Cc1cccc(CN2c3ccccc3C3=C([C@@H](c4cc(Br)ccc4F)C(C#N)=C(N)O3)S2(=O)=O)c1	100032556	KLHPUSBUADKRFJ-QHCPKHFHSA-N	552.425	5.423	50	40	KKGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc(Br)cc1	100056438	YIROIJBFKYYYBV-STZFKDTASA-N	533.403	5.916	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	100127556	SZSFCZYCGYTVEZ-OCSSWDANSA-N	583.483	5.341	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2F)cc1	100139187	KJJRBOWIOFBGCR-KCSSXMTESA-N	566.054	5.712	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccccc1	100326181	YIKPCSZIKUNUEF-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1	100398278	HPCWZPYCPZOKFL-BVMLUPFRSA-N	625.962	5.530	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccc2ccccc2c1	100854141	QYIMGWFDCAUKBA-GTWSWNCMSA-N	526.065	6.682	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1	100987638	WGZIOFZLWDWPMM-DEDYPNTBSA-N	548.030	7.911	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@@H]1c1ccccc1Cl	101305127	GRQPOFKXWWMXAB-VWLOTQADSA-N	598.046	7.127	50	40	KKGB	
CCCCCCCCC(=O)NNC(=O)c1csc(-n2nc(-c3cccc4ccccc34)cc2C(F)(F)F)n1	101388599	JGDLEDUZOKKHLT-UHFFFAOYSA-N	543.615	6.679	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1cc(Cl)ccc1Cl)=C(C#N)[C@H]2c1ccc(Cl)cc1	102087242	SWQOQSGPZHYZSC-HSZRJFAPSA-N	546.907	7.084	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(Br)cc1	102942086	UFEMZJLKGFTFAY-SFQUDFHCSA-N	520.408	6.149	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc2c(c1)OCO2	103887877	JUSBPBMTXIVRTN-OCKHKDLRSA-N	568.367	5.462	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	103900498	SJCVKKISYBDEMS-QXUDOOCXSA-N	548.643	5.035	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	150385665	CFAAOPUBLSNQRE-OCSSWDANSA-N	644.389	5.965	50	40	KKGB	
FC(F)(F)C[C@H](I)CCCCCCC[C@@H](I)CC(F)(F)F	169795349	DJDAQVQYYWWBJI-GHMZBOCLSA-N	544.099	7.229	50	40	KKGB	
[O-][n+]1c2ccccc2[n+]([O-])c2c([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(O)c(-c3cc(Cl)ccc3Cl)cc21	226820245	SISBCPSNMIOWHI-UHFFFAOYSA-O	634.479	6.559	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408540399	RGNFFRFDRPMECC-VQNDASPWSA-N	538.644	6.335	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553563	XILSJIDEQOEEII-VCHYOVAHSA-N	558.849	6.917	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12	408569234	MLTPTHSCHHFSLD-RWPZCVJISA-N	532.647	5.606	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	408580016	MNVQPHXJYFIFIS-YBFXNURJSA-N	603.254	6.452	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408580847	SBUVLXUGGYCZJZ-RGVLZGJSSA-N	557.238	6.952	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(Cl)cccc1Cl	408607175	CFZVLMZLNKBCOZ-CCVNUDIWSA-N	500.382	5.232	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1	408655273	RLUPJVJTXUEHNT-NBGIEHNGSA-N	509.961	5.703	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408680232	FZMQWKRTVZVEME-VQHPVUNQSA-N	662.118	5.064	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408681745	IPCSVBIEJVTGKZ-BDXSIMOUSA-N	634.108	5.381	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1cccc2ccccc12	408724393	DXURCPNGODVZNW-VHAPIWCVSA-N	535.482	6.856	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408727076	YBXTVMUZMKXYSZ-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1Br	408736542	CIWQRODJIFEKDK-JFFJSXPNSA-N	601.339	5.643	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744650	GIECRJBCANHSSF-YVLHZVERSA-N	559.747	5.977	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408745436	SEYCYPDKVCLKNX-CXUHLZMHSA-N	600.325	5.763	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)c(I)c1	408746456	ZIMHAXAEQREOBP-UNOMPAQXSA-N	512.322	5.863	50	40	KKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)c2C)cc1	408754566	GHTFGNHCABSFEY-BRJLIKDPSA-N	519.237	5.651	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408759838	MNZXSOWCCYXFBW-UUASQNMZSA-N	571.085	8.187	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1	408769246	PRYLUELPAWONRH-JMIUGGIZSA-N	575.244	6.217	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)c2C)ccc1I	408770956	CRGHKBVFDJQEBO-LQNQUEJISA-N	563.439	6.203	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1OCc1ccc(Br)cc1	408775692	KBXXWFOUJIIAOU-JCMHNJIXSA-N	627.377	7.581	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	408790914	ZJFBVBSPUQJRQZ-FYJGNVAPSA-N	539.415	6.693	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408797302	RBVPKAAJKGMCKK-SRZZPIQSSA-N	582.394	5.740	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccccc1C#N	408799013	XSFGMNSUQSONMY-UFFVCSGVSA-N	597.840	6.648	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	408828909	NFPYOAWCSHLGKG-ZCTHSVRISA-N	549.096	5.656	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCC	408835167	MQVNKNBHGKGACL-VGOFMYFVSA-N	556.784	5.305	50	40	KKGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408838754	HXRPBDJZERWGAO-IPPBACCNSA-N	626.476	5.782	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccccc1C#N	408842980	PUDRCVSLGHLBDB-HBHSWBPBSA-N	644.473	6.820	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1cc2ccccc2o1	408854756	ASRZJYNAHICCRO-MWLSYYOVSA-N	546.364	6.534	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cc2cc(Br)ccc2o1	408857309	LVPKRQHCULWWSD-FXMZOFOKSA-N	719.086	6.887	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408860151	WHWINSSVMOZPIR-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(Cl)c(C(F)(F)F)c1	408865615	BLTPNNQRBHHOQZ-MHDJOFBISA-N	590.023	6.007	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408866592	HBIPCLBWRFQICH-SRZZPIQSSA-N	596.434	5.576	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	408869136	QWZIBVJBMFHYTJ-WVKHYPTHSA-N	749.083	7.858	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	408869267	QFMYUOGSGNAMLG-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1Cc1ccccc1F	408870188	VKCLMHFXQOWCPC-LICLKQGHSA-N	528.321	5.281	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc2ccccc12	408881072	MAHROSMKAGGHOS-KEIPNQJHSA-N	579.450	6.208	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2Br)c(OC)c1	408887219	MSSDXQUSHDNXPY-UDWIEESQSA-N	617.281	6.749	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1Br	408896189	QAJQQUBGNXKMQU-RGVLZGJSSA-N	570.281	6.962	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1	408923764	LRBGPJCQZHIEAK-MYBYBSHWSA-N	598.662	8.100	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1C	408926753	YDLWTEMYLJASAW-MZJWZYIUSA-N	548.808	5.995	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408950802	UGMQCYVRSRUMHV-YNFMAFFXSA-N	633.268	6.277	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12)c1ccc(Br)cc1	408953160	LQMJTQMNXBKILH-NTEVPICGSA-N	594.440	5.555	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccccc1C#N	408955148	SUJPFGVMVJFUAI-CFRMEGHHSA-N	569.459	6.046	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccccc1Cl	408966276	ZFXLQJNYJKCQNL-KPGMTVGESA-N	516.947	6.829	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408968896	CLTSORUQQAOPLV-XRPGBJDZSA-N	619.332	7.205	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1cccc2ccccc12	408984918	UIBWOLJXEMTXRJ-OEAKJJBVSA-N	622.890	7.930	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408989923	VQEZZFLHYJZSOP-WSDLNYQXSA-N	561.863	7.697	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(OC)c1	409012060	HJLSRNAQFUSSCA-KGWOIZIWSA-N	551.515	5.297	50	40	KKGB	
O=C(O)COc1c(Br)cc(I)cc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409012470	KGQWOJBCSOTCCP-TXNBCWFRSA-N	747.903	5.394	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)ccc1OCc1cccc(C)c1	409016673	REMLMDFYLNAHNB-CHWQPNJWSA-N	559.707	5.650	50	40	KKGB	
CC(C)Oc1c(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409037768	NMWYPVDFQYKUOR-WKULSOCRSA-N	567.281	6.978	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1cccc(Cl)c1	409038677	QBVAXZFLFGFAQJ-KULFSUQXSA-N	743.454	9.207	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc(Cl)c1	409093425	YZADVBUCXKFBNV-RIYZIHGNSA-N	566.717	7.367	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O	409126206	NHWMNAWKSUAWLF-VWLOTQADSA-N	526.464	5.955	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)c(OCC)c2)cc1	409166977	HGNAFDIMEKQNCL-KCSSXMTESA-N	625.520	5.441	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1ccc(Cl)cc1	409189519	PYVCIUSWRKTFEM-KBKYJPHKSA-N	559.618	6.594	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccc(C)cc1	409218756	GUVPOSYMPOXHNF-UHFFFAOYSA-N	589.570	6.648	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409220320	WSOMQVLALADHJQ-VCHYOVAHSA-N	612.380	5.080	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccccc1	409220409	YXDONTDWKFTCFZ-UHFFFAOYSA-N	575.543	6.340	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409224814	MVZYBVFMWWUKHV-XDHOZWIPSA-N	612.864	5.851	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccc(Cl)cc3)c2)ccc1OC(C)=O	409225420	PQDHDVDRWMZVST-BRSVJXSZSA-N	690.934	6.671	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC	409225689	NSAHYKAAWXDMRS-NKHVPTTDSA-N	656.906	6.908	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1	409226017	SHVRBGJMRCXKDZ-UHFFFAOYSA-N	576.834	6.338	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409227368	ZPVXOHFDAFRKBK-UDWIEESQSA-N	534.410	5.638	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409227639	ZSDQWICHHYSSMO-SJVPTJMISA-N	622.590	5.357	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1	409234466	WXIJXMPSZNUYRP-QCYAWUEASA-N	545.864	7.619	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	409255298	HAPVINDAXKFDMJ-CXUHLZMHSA-N	591.643	6.855	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1	409264635	QLUPPOXVTNIOAV-DOHIBDINSA-N	510.421	5.638	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1	409270020	NTAOAUMQDVGABX-KMUKQRDJSA-N	630.539	6.825	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409271675	VXKPUGGBNCCHOJ-ZMOGYAJESA-N	601.488	5.214	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1Cl	409272178	PDUIVHPDHVZLFC-VCHYOVAHSA-N	513.903	6.230	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409311877	CGOABSCMYLKQMP-WKIKZPBSSA-N	578.257	5.580	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OCC	409326016	FQAOIPFKNPPQDQ-UHBFCERESA-N	620.871	6.260	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccc(Br)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409371476	GEGIPUBFGCBPBC-MBTHVWNTSA-N	542.499	5.024	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409386624	QTDYVJKHFZMPBC-LJUMEUDFSA-N	527.646	5.929	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2OC)cc1	409388354	UIUQDVRXTYLQHT-LDADJPATSA-N	525.483	5.286	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(OC)c(OCc4ccccc4Cl)cc3Br)[nH]c2c1	409390395	CVYAFGCVTVTTAR-MFOYZWKCSA-N	524.802	6.639	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409395365	MRZFJDVUBRFKFV-UHFFFAOYSA-N	683.912	8.319	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409395780	RPTBGKIBDCVJSL-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(ccc5ccccc54)c3-c3ccccc3Cl)cc2OC)cc1OCC	409397118	GLGLIVVYFHHGRF-UHFFFAOYSA-N	662.142	8.431	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)cccc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409397370	JEDQDHMCFNUTGT-UHFFFAOYSA-N	642.108	7.286	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Cl)cc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409398169	RLNAUKZFPDWLIQ-UHFFFAOYSA-N	680.972	8.584	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398875	VZQMPFYFAWSEGS-UHFFFAOYSA-N	702.558	7.014	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409399310	ZIFIBJXHKZIAHS-UHFFFAOYSA-N	628.081	6.896	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(C)C	409400465	DGQSATBXQYRBED-MNBJERMJSA-N	515.610	6.216	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401884	INEGBKRBGXGREE-NMQPEJGJSA-N	564.038	6.014	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(OCC)c1	1529549467	ZULXVMSSHJAZRO-OPKXNULSSA-N	753.672	5.489	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@@H](c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2)c1cccc2ccccc12	1857795201	SRAPNYODFICLFE-TUYDZOLPSA-N	565.675	6.468	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@H]1c1ccccc1	874452	RYFJCEMSIGVAKX-GDLZYMKVSA-N	538.673	6.019	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Br)cc1	1439467	IWLSUBWJKYNREQ-KGENOOAVSA-N	534.410	5.931	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(Cl)cc1Cl	1821431	RGTRFKQUPSPIIK-OPEKNORGSA-N	519.504	6.533	50	40	KKGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/C(Br)=C/c2ccccc2)nc2ccccc2c1=O	2222405	BRVNUWQRHVRAEY-WNTLQCLUSA-N	533.451	5.324	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)n2-c2ccc(Cl)cc2)cc1	2327224	GLNHABXUERYWHS-OKCVXOCRSA-N	528.037	5.997	50	40	KKGB	
COc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)c(C)c3)C2=O)c1	2335125	UIRKWXYWSFDKLT-NNHPPCHPSA-N	518.038	6.030	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)cc1	2901225	KSSARVHFRROVDQ-KVSWJAHQSA-N	563.221	5.441	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	3232298	AVDGOBMRVIIJBO-CXUHLZMHSA-N	525.741	7.790	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCC)c(OC)c3)cc2)sc(C)c1C	6167372	QQKNLMNIIJNKTD-AASYHSMQSA-N	567.664	5.119	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2C1=O	8619191	WIFZFSJKUFDVOP-JGCGQSQUSA-N	614.679	6.890	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Cl)cc3)nnc2-c2ccc(C)cc2)cc1	9271739	DYNALQQPSDNALY-MTDXEUNCSA-N	506.031	5.537	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	12250350	NKABBUYQCLPHDJ-SANMLTNESA-N	514.607	5.303	50	40	KKGB	
C=CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\NC(=O)c1cccc(Br)c1	17186175	OUVBPVUCWRIPFA-GFMRDNFCSA-N	507.251	5.482	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccccc1C#N	20760946	IFCZELMLUWWNPE-CCVNUDIWSA-N	512.791	5.716	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)NCc1ccccc1	28214776	WOUUESNRGVPIJE-FMFFXOCNSA-N	523.658	5.579	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(Cl)cc1	59117345	HGSDQKAUNXDMNQ-SFQUDFHCSA-N	515.780	6.810	50	40	KKGB	
N#CC1=CN2[C@H](C(=O)C3CC3)[C@H](c3ccc(Br)cc3)[C@@H](C(=C(C#N)C#N)c3ccccc3)[C@H]2C=C1	97949525	ZMPYJEBDZFLRSN-SATIQFTFSA-N	521.418	5.659	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1	97972338	FMAKUMDEHXIAII-LICLKQGHSA-N	546.646	6.990	50	40	KKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@@H](c3ccc(OCc4ccc(Cl)cc4)cc3)CC(=O)N2C1	98048463	FAOJWJISMXAKGK-HSZRJFAPSA-N	536.484	7.100	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100120611	KQFWKXJYAAYBTF-IBBHUPRXSA-N	542.919	8.111	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(=O)c1cccc2ccccc12	100135331	WBRPLIXELHQOQO-CPNJWEJPSA-N	550.920	7.285	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)ccc1OCc1ccccc1	100228686	YZSYHFPIFRQCSR-FMFFXOCNSA-N	575.662	5.457	50	40	KKGB	
O=C(c1ccccc1)[C@@H](/N=N/c1ccc(Br)cc1)P(=O)(c1ccccc1)c1ccccc1	100681541	DTHZJWGRLJPZCC-GJIYGYJRSA-N	503.336	6.756	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528668	KRFFOJHVNCDXDW-FQEVSTJZSA-N	576.463	10.665	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C	103873913	KHIWPVMADJQDTO-ATZGPIRCSA-N	619.585	7.130	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(C)cc1	103884138	XMJFPVLDAWFPLB-UQQQWYQISA-N	607.492	5.833	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103901533	XUPJDGLQINGIJK-GAKHTCNASA-N	582.347	7.116	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@@]4(Br)C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	104031328	FTMKSVKJLVFTLW-ZEQHCUNVSA-N	564.918	9.606	50	40	KKGB	
C[C@H]1CP(c2ccccc2)(c2ccccc2)(c2ccccc2)O[C@]1(C(=O)c1ccccc1)c1ccccc1	104133483	WXQHBTVZSGKQLB-WJVKJDHCSA-N	514.605	6.876	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccccc1	104766488	AGJFFRXMEGXLQF-BIZUNTBRSA-N	541.991	5.974	50	40	KKGB	
CC(=O)NC[C@@H](I)C/C(C)=C1\O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@H]1C	118917982	KGBSGBJFEOXATN-GIZJITEBSA-N	623.616	6.746	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	150386638	VBHHCBURNWTGMM-KEIPNQJHSA-N	648.141	5.553	50	40	KKGB	
O=C1[C@H]2C[C@H](Cl)[C@H](SS[C@@H]3C[C@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@@H]3Cl)C[C@@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl	150399421	BCRRQTMYMQMOAZ-WMVORBOGSA-N	833.172	8.276	50	40	KKGB	
NCCCC[C@@H](C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	150400193	BCEKQYFMCZRDDW-GPOMZPHUSA-N	754.793	5.982	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	162505977	RWMORSJYTHBCFQ-MWBNBJEGSA-N	661.007	7.279	50	40	KKGB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc(SC#N)cc1Br	408536935	YIZUFYSDLLWBSU-DHDCSXOGSA-N	506.223	5.812	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542758	KXQSWBWAKORBPA-UXHLAJHPSA-N	597.453	5.269	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408543162	MTNNXYYCKKFSJV-MTJSOVHGSA-N	582.394	5.778	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408543531	RONHIMCHQJDCLW-IDUWFGFVSA-N	623.230	6.429	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408598517	CBANOMKUMTVECM-YBFXNURJSA-N	598.422	6.710	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1)NNC(=O)c1ccc(Br)cc1	408647703	UUDFRYKCDHCARB-UHFFFAOYSA-N	604.910	5.367	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)cc1	408650659	MOVQGVHJOQQCHG-NKKDEYRYSA-N	728.821	5.886	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	408672958	PQEMEIITEBONKI-AHKZPQOWSA-N	642.289	7.698	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408675535	BEYWHWZTQWHUOJ-YEYGNOCGSA-N	566.677	5.183	50	40	KKGB	
N#Cc1ccccc1COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(I)cc1	408712112	ZVZVAHAXUBRTNA-LGJNPRDNSA-N	515.738	5.159	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl	408718096	JEQQRZSUCLQMDO-OIYVWTTASA-N	518.194	6.139	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408741581	JVGNTMGEDUFBSV-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)ccc1I	408745949	BHIQNVLNGQBVNF-UCMJSZAQSA-N	642.453	7.097	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1	408764177	QJPLXPSJMLEWDM-HYARGMPZSA-N	547.430	6.224	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1cccc(C)c1	408765453	WBZWSONABCVTOE-GRSHGNNSSA-N	556.254	6.653	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12	408765761	QAEJIRWHZGNGBG-MUFRIFMGSA-N	548.393	6.252	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccc(Br)cc2)cc1	408777401	ZWHIPYDHKUIAEG-LGJNPRDNSA-N	555.281	5.410	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408783918	QRDTVOFLFKVDSX-DHDCSXOGSA-N	634.770	6.498	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc2ccccc2c1	408790718	XXGFBMUSQCLTDU-NDZAJKAJSA-N	540.619	7.552	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccccc1F	408794318	RXPWCPIPOAXVCA-PCLIKHOPSA-N	601.472	7.691	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408795277	KTNCWTILXROXBJ-GZTJUZNOSA-N	575.200	5.884	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1cccc(C)c1	408795283	LIXKZRWDLNGJJD-WGOQTCKBSA-N	630.482	7.312	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccccc1F	408796669	PNAAHOBFBFODSI-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408810112	JWNGRVJHSDUMLV-QNGOZBTKSA-N	589.548	8.139	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(Cl)cc1	408818413	PRVWFNPKISQUAO-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408821111	CPCVFRSQNQWCSL-OVVQPSECSA-N	579.483	8.850	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OCc4cccc5ccccc45)ccc4ccccc34)cc2)cc1	408827040	ULOYFIRADKEWJW-AWSUPERCSA-N	574.680	9.005	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408831588	WEPBHTQVJVYRAH-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCc2cccc(Cl)c2)c1	408832754	IUAJYYHJBVTEJH-LFVJCYFKSA-N	559.449	7.706	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1	408835316	YJYHPKIIZDVJKU-MOSHPQCFSA-N	649.383	8.138	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408839316	QNUYNHKOVHEKMP-MWBNBJEGSA-N	733.588	8.117	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5cccc(Cl)c5)o4)cc3)cs2)cc1	408839554	UITPBRDFJUOIMA-OKCVXOCRSA-N	513.022	7.539	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(OC)c1O	408840467	BKHJKSVKKPRDFW-WKULSOCRSA-N	519.026	6.414	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCC(=O)O)cc3)cs2)cc1	408842015	HVFVGAKBAQXNPB-XODNFHPESA-N	565.449	5.852	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(I)cc1	408842470	ABDOYLDWGRXTPM-ICUTVXMZSA-N	655.536	7.799	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408849660	ZUBTXMVVVAUASW-VWJSQJICSA-N	656.276	6.900	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccccc1	408855990	IHJZEGJHEZBQDP-LQNQUEJISA-N	533.422	6.665	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cccc(C(F)(F)F)c2)cc1	408859346	SOHWFFSXTYVHRY-KVAAJVFYSA-N	586.611	5.906	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1	408860848	GOWVJODDDAKUFK-OKCVXOCRSA-N	572.470	5.916	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2)cc1	408885051	ZUAHQSYFUPQPCS-CPNJWEJPSA-N	508.315	5.365	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408891238	NIHUSBFEIWLOLX-NHFJDJAPSA-N	528.583	7.683	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408891302	OHBRRGGAFLEWOT-LUOAPIJWSA-N	625.795	7.296	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3ccc(Cl)cc3Cl)c2)c([N+](=O)[O-])c1	408898170	VJVXOFPGQCNPRI-RQZCQDPDSA-N	528.348	6.043	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(OC)c1	408923777	MBPKIKASAUAUGJ-FUQSLGPRSA-N	671.932	5.020	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Br	408940686	CTKGUIWVFVHERA-LJAQVGFWSA-N	736.472	6.229	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccccc1O	408951255	IEXMFAJYAKCWJI-GATIEOLUSA-N	677.074	5.707	50	40	KKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c1C	408967008	ORKLCAAZYSOJIJ-BRJLIKDPSA-N	519.237	5.651	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1O	408972201	NHPSRBDMHWAOSJ-JYAAHYNGSA-N	579.278	5.107	50	40	KKGB	
C[C@H]1CCCCN1c1cc(N2CCCC[C@H]2C)c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]	408974536	BDEDXHDNAKUUCO-HUCZPEEMSA-N	508.579	5.025	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)o1	408978417	ZPYGFQLSKJLKRC-YSURURNPSA-N	526.612	6.109	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1	408980395	QRTYGXAGGJWVLP-KMOVNDHPSA-N	540.667	6.773	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1	408988671	FMFMPZUDOYMTFG-XODNFHPESA-N	527.389	6.130	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(SCC(=O)Nc3ccc4ccccc4c3)c([N+](=O)[O-])c2)cc1C	408992158	QQRVQKAOPYSDJN-ZVHZXABRSA-N	536.613	6.641	50	40	KKGB	
O=C(N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NN(c1ccccc1)c1ccccc1)OCc1ccccc1	409000781	XYEKCSRBUHFFCR-UUWRZZSWSA-N	571.677	6.973	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1	409013031	JVTUGPDJPLLMPC-MOFCHLBVSA-N	591.448	5.619	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCC(=O)Nc1ccc(F)cc1	409017146	FBYTWFCXFPXZKR-XKJRVUDJSA-N	666.241	5.729	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC	409017725	OVHPIZYBQCNBEY-SKBUGYKVSA-N	526.758	5.641	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OCc1cccc2ccccc12	409042664	NYZRNWYGYSYVNR-CCVNUDIWSA-N	550.365	5.568	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)cc1	409044552	VWSUNQIHRQWFEK-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409044565	OGWYGEMZFNWYLP-DPNNOFEESA-N	526.423	7.552	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(I)cc1	409048478	WUNUNWKKQWRYIZ-KMUKQRDJSA-N	753.378	7.853	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc(Cl)c1	409080678	FPPHIHOSDZOMKP-AWNIVKPZSA-N	556.711	7.912	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)OCO3	409104634	GGFFODBUGZEVPH-QFIPXVFZSA-N	601.207	5.646	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccc(Cl)cc1Cl	409149982	XBJVJXDPHREKMH-IPBVOBEMSA-N	664.121	6.808	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409155609	QJVPDWKASMDMAC-PNQUVVCRSA-N	622.303	5.488	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)cc1	409158390	XIHKEZOZTNXSQH-ATZGPIRCSA-N	639.547	5.668	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(Cl)c3)c(OCC)c2)cc1	409159176	ZJGQZOCIBKTSSY-WCMJOSRZSA-N	676.895	5.014	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2cc(Cl)ccc2OC)cc1OC	409183302	APLBAJVUHZDLLV-FABQOPTDSA-N	658.560	5.944	50	40	KKGB	
COc1ccc(Oc2ccc(-n3c(C)cc(/C=C(\C#N)C(=O)NCc4ccc5c(c4)OCO5)c3C)cc2)cc1	409196515	OLHJKKJVFWRJPT-LFVJCYFKSA-N	521.573	5.847	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccccc1	409223161	FGOKMCMQGZSBHZ-UHFFFAOYSA-N	507.546	5.239	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409226457	STTVXHAYVNTDAJ-DRRHWONRSA-N	613.026	6.282	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c2)c1	409227545	ZHDKOLXDNQENHD-UHFFFAOYSA-N	641.305	7.000	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	409238533	DUUBBILSJJAABD-MNDYBZJGSA-N	525.805	6.667	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	409251342	PHEGCUQEFGTUNL-YGHJMTJHSA-N	500.602	6.329	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1C	409256824	QDWCVAHJZFZIOZ-HCXDNJAASA-N	510.421	5.692	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br)Nc1ccccc1	409261473	DDLUAQQPYBXFFX-ZRGSRPPYSA-N	565.649	5.646	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2)ccc1OC	409312467	LHLLXUZHBNBJSJ-NUJZUDFISA-N	619.310	5.709	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1OC	409317655	RNUUIHDOFQXNFG-UHBFCERESA-N	622.887	6.484	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1cccc2ccccc12	409321118	GRDQBEQYYXPDAO-XYGWBWBKSA-N	520.426	8.407	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(I)c1OCc1ccccc1Cl	409366998	ZNHVKVATXWTAET-KVSWJAHQSA-N	567.786	5.234	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1[N+](=O)[O-]	409368608	DXBFJARZFFFNIO-DBFSUHOCSA-N	593.489	5.177	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409371089	DAEBIYJGWYMRKC-QDTIIGTASA-N	581.250	6.335	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	409371150	DPKHKCVDCLRACU-ZRGSRPPYSA-N	584.197	5.778	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409376544	ZCNKMCXFFTVOOK-UYRXBGFRSA-N	535.984	5.319	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409383125	UQIVQUCNQKVTOW-FYJGNVAPSA-N	578.463	6.036	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)Sc1nc2ccccc2s1	409383907	OKWDQONRABQEFZ-WOJGMQOQSA-N	513.869	7.948	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCc1ccc(Cl)cc1	409383973	SGPZZSNKQKEWKU-YBFXNURJSA-N	604.922	8.189	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1cccc(F)c1	409394060	VBRBRFPWKPBDBT-ZDLGFXPLSA-N	534.166	6.836	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C)cc(C)cc2c1-c1ccccc1Cl	409395904	TVFNFMYXTXCPMY-UHFFFAOYSA-N	744.267	9.275	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409396305	XOHKWHCABQLVGW-UHFFFAOYSA-N	678.898	7.307	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396465	RTXMTOQCCPQJLV-UHFFFAOYSA-N	640.445	8.542	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396530	VXBCJCMSOJEJIS-UHFFFAOYSA-N	620.464	7.671	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397698	MYTAEIOAWUFOIS-UHFFFAOYSA-N	626.418	8.152	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1O[C@H](C)CC	409405995	VQQUITDJPWEGLM-AZXMOHGWSA-N	642.978	8.022	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccccc3F)o2)cc1	409406649	XKGQCDQJTUTQKB-AEUUOICLSA-N	616.487	7.511	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Cl)cc1Cl	1529548894	PGEMMSLVKGBHHL-AHKFIOAWSA-N	697.641	6.195	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(C)cc3)cc2)sc2c1CCCC2	1785623	QLQOBOXSQVBBOZ-WMMCOQJOSA-N	533.650	5.282	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	1950357	VYMUDXXENPMYPR-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
Cc1ccccc1N1C(=O)[C@@H](Cc2cc(Cl)ccc2Cl)S/C1=C(/C#N)C(=O)Nc1ccccc1	2386883	PTVKHWYCXRHPSG-BDPHVXEFSA-N	508.430	6.367	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)c1	8426424	NTPUPWQYOJHBNU-XVAAYUMESA-N	526.958	6.450	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1cccc(Cl)c1	8812915	IIKZURHAMGFYQT-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OCc2ccc(C)cc2)ccc2ccccc12	8812937	GWWIUNPVBSINCP-MUFRIFMGSA-N	503.396	6.262	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	8835977	JJTOONIHFXIXON-QCDXTXTGSA-N	507.163	6.013	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1sc2c(c1C#N)CCCC2	14152088	LATVOCVZFXEKNJ-XDHOZWIPSA-N	511.676	6.264	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)nnc2-c2ccccc2)cc1	16226380	QIOFTCHWPDENJC-WKULSOCRSA-N	511.529	5.204	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)c1	16693257	TXCUQZQEKGOZOH-STZFKDTASA-N	521.411	6.371	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC[C@@H]1CCCO1	97946317	WSQZTPDEAWEBJA-HONNWAMPSA-N	539.035	5.974	50	40	KKGB	
CCN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c2ccccc21	98008188	XSWIKERRXUWKGH-LJAQVGFWSA-N	528.534	6.031	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)=C(C#N)[C@H]1c1ccc(Cl)cc1	98048674	HCBKLURPLVYYFE-JOCHJYFZSA-N	561.845	5.668	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)cc1C	100124658	WDACZIRSGLZLCO-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccc(C)cc2)cc1	100380078	JOVLHPAFIMVLOP-ZCTHSVRISA-N	560.745	5.778	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	100392979	LGUSRFFXSOTIGR-RPPGKUMJSA-N	516.431	6.065	50	40	KKGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1C#N	100512149	YVGXOIVFHWCPCJ-XKJRVUDJSA-N	602.283	5.041	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc4ccccc4c3)n2-c2ccc(OC)cc2)cc1	100887252	GIYZQFBUIWKLQQ-GTWSWNCMSA-N	537.645	5.737	50	40	KKGB	
Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(Br)cc2)C1=O	100990687	TUZLPCZVLVTCOP-NLTRVXJZSA-N	532.463	5.500	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1F	102719371	RQJGECZHFXXPLG-MUUNZHRXSA-N	577.081	6.503	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@H]1c1ccccc1F	102809850	QNSYFMHSAJTLRK-MGBGTMOVSA-N	604.707	7.267	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c(C(=O)OCC)c1C	109131103	WJPPZOCJSUPGES-KGENOOAVSA-N	585.638	6.040	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12	112254577	LVEYSMVDVRUQRO-QHXSYMKWSA-N	562.629	5.389	50	40	KKGB	
C[C@H](CCC(=O)N/N=C/c1ccccc1O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	118917003	BXTRCTCQZGWSNF-UQPRLVHDSA-N	510.719	5.249	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341933	UXXZYNYPTVYSNZ-NRFANRHFSA-N	890.532	14.867	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCCC[C@@H](I)CC(F)(F)F	169795408	NNVOPKBQBXNSJG-GASCZTMLSA-N	600.207	8.790	50	40	KKGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cc2cc(Br)cc(Br)c2o1	209533658	ONPZRWDAHGECBF-DHRITJCHSA-N	535.236	5.721	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(OCc3ccccc3)c(OCC)c2)cc1	408536853	BJZRFWLTZLHSSM-SGWCAAJKSA-N	548.639	7.188	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc2ccccc2c1	408548348	GRWBSCSCCGHRFV-JJFYIABZSA-N	598.132	8.770	50	40	KKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC	408553631	OSZIRJRECSTUAZ-MHWRWJLKSA-N	512.429	5.770	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)Nc1ccccc1	408578906	BQVLQNWTTOAKAM-CXUHLZMHSA-N	532.221	6.846	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccccc1	408599151	PJMCPIZEWNQYFU-LQKURTRISA-N	542.417	5.940	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OCc1ccc(I)cc1	408603728	GYIGFDLBJYWERQ-RGVLZGJSSA-N	675.308	7.431	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408613129	ZJPMILWFZMPACU-SFHVURJKSA-N	514.409	5.467	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408643653	PYDLKHKETNDMDQ-FXJWEYNDSA-N	631.148	5.544	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408711990	UHVXSMYQWCVICN-MUXKCCDJSA-N	536.253	6.426	50	40	KKGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408737530	CRFSFRURJAZFND-ZMOGYAJESA-N	500.374	5.179	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)c1	408743485	AMKKXSAWJIVNNC-PKAZHMFMSA-N	516.601	6.489	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(OC)c2)cc1	408744370	FDYDDXINUVVVAT-UYRXBGFRSA-N	540.357	5.433	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Br)cc1	408744822	NHTKYZLFCFYCCI-BOPFTXTBSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1Cl	408746285	YEOJRUQEDZZKOE-WQRHYEAKSA-N	546.248	7.279	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)ccc1I	408747190	KGIIYBLTWOWMHP-WKULSOCRSA-N	662.265	6.401	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2I)c1	408794077	RHRFMDLFTIPRIC-LPYMAVHISA-N	522.386	6.341	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc(C)c3)cc2Br)cc1	408794458	JGNBINHDAQKBRQ-LPYMAVHISA-N	549.421	6.068	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408794842	JIFMAESTQNZZRF-LICLKQGHSA-N	524.327	5.196	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408795702	MVBQYGYPFNDWOZ-RQZCQDPDSA-N	571.327	5.038	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3Cl)cc2Br)cc1	408797918	TXYFWPTVTUTOBM-UDWIEESQSA-N	569.839	6.412	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1ccc(Cl)cc1	408821105	CMZQOCZVVOPKJV-IWIPYMOSSA-N	502.998	5.888	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408824222	HKUFTEKFWQMTSI-YDZHTSKRSA-N	686.817	9.512	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	408825490	DMAAAZDJSRJYDU-FLVUUCOMSA-N	649.567	5.051	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408828653	NKMZSPMXXNOHCQ-LPYMAVHISA-N	598.313	9.004	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408837991	BEEJQEIJCYHHSW-IPPBACCNSA-N	585.911	7.141	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408839488	TUEYESKIBVBLBF-MWBNBJEGSA-N	686.588	8.274	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840001	AAFVVZXDVHQXMF-FABQOPTDSA-N	562.098	7.974	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)cc2)cc1	408859402	UAAWOOAXWFKEQJ-ZXSNDDASSA-N	611.483	7.400	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408860329	YWSSAZRTFDNAQO-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408879355	FLVDORIESYJPBQ-ATZGPIRCSA-N	677.404	6.933	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408882203	NZJHHBHGSCGZBU-RGVLZGJSSA-N	537.830	7.933	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408887939	VCAMDZPHOTVVOG-LZYBPNLTSA-N	566.666	7.543	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)c([N+](=O)[O-])c1	408890200	POSIBFFDYARJJB-RIYZIHGNSA-N	584.295	5.520	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccccc1C#N	408893677	GRAIAUWHVODVLM-HBHSWBPBSA-N	691.473	6.662	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)ccc1Br	408905445	YPGPOKYWVFZXCG-LGUSAWBASA-N	620.556	8.215	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(C)c1	408922205	DYTUBWDRDZGIEV-VXLYETTFSA-N	570.827	6.843	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccc(OC)cc1	408923562	JNWXMMSCQDIYDW-RCCKNPSSSA-N	506.580	5.024	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1	408924759	OGURIHSERCQNJL-LDADJPATSA-N	508.328	5.491	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408953038	LITAUOZDIRJNEC-OGNIXTLVSA-N	577.419	5.454	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccccc1Cl	408957038	ZUBSHSPLHJTAJY-XKZIYDEJSA-N	578.894	6.827	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)c(OC)c1	408957808	WEWOTLFSGMZMRO-FWSRZAFXSA-N	740.564	5.064	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1cccc(F)c1	408960111	BWHGHYZJIAXPLW-XODNFHPESA-N	603.344	5.826	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(I)cc1)c1cccc(C(F)(F)F)c1	408962118	GUMIDDKOLOTHRB-UVHMKAGCSA-N	524.280	5.653	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)cc2Br)cc1	408966778	NLPDQHWEFGAZAV-KVSWJAHQSA-N	545.206	5.874	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1Br	408980492	RJLLGMSYXQPHSR-FNLZXBKISA-N	635.378	5.645	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(F)cc1	408980739	SUUHYEQFCUFTQF-HIYJYGDOSA-N	525.580	5.425	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N\NC(=O)COc3ccc(Br)cc3Br)c3ccccc32)c1	408997381	OBXRXYFWNRQEAJ-QDTIIGTASA-N	555.270	6.052	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c2ccccc2)cc1	409002727	PHAYTBARBWHNCR-FFWKWCQCSA-N	685.438	6.659	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccccc1C	409010907	DONWHLVVPUWBSJ-MZFJOGFUSA-N	523.589	5.217	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc3ccccc3C)c3ccccc32)c1	409011045	DJXXPDHBOJMGGO-XSCOCXMISA-N	538.692	5.675	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	409012072	IRXJAWGGFIABBG-BADBGYPBSA-N	668.662	6.757	50	40	KKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)cc1	409012625	KUIPJRRGMFRONA-WKULSOCRSA-N	633.328	6.818	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1OC	409014339	OXGBNHPHZUUWRW-CCVNUDIWSA-N	516.381	5.182	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1	409019639	WJMFWKPOZRKBFV-PTPXWHLFSA-N	570.517	6.329	50	40	KKGB	
N#Cc1ccc(COc2c(I)cc(I)cc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409047433	UJNGRFONSCVHAM-MWBNBJEGSA-N	734.335	7.326	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1Cl	409050043	ZQINIZYMWPJJKV-IPBVOBEMSA-N	613.235	5.607	50	40	KKGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Cl)cc1	409067318	XMMJOCGTZOSWSO-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409069878	BAALRPKCNBRVFS-XNTDXEJSSA-N	565.804	5.564	50	40	KKGB	
Cc1cccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)c1	409079829	BPPGEVGKIBKAMC-ZRGSRPPYSA-N	614.196	5.686	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409086909	XJXAXFTUCPKSFX-RIYZIHGNSA-N	552.292	7.267	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409129342	FTVBSQCCLHJWNF-OAQYLSRUSA-N	667.197	5.307	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(Cl)cc1	409137671	XVCRAWQRDQFXOR-STBIYBPSSA-N	583.022	5.253	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409219263	KOMMXVZJNHTXIZ-LDADJPATSA-N	510.377	5.955	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)c(C)c1	409225122	PCKCOZHTIHTWEE-VCHYOVAHSA-N	528.823	6.827	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccco2)cc1	409225416	POWHMWYSTRKNBF-NUJZUDFISA-N	567.341	5.730	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1ccccc1	409242391	UNHDUGFKNXYUSZ-IWEBCOIVSA-N	530.249	7.119	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409246090	DSGFRWIEKTYNPC-PPDIBHTLSA-N	510.190	6.167	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409253489	BMUVHMFEBRREDG-FYJGNVAPSA-N	503.986	5.919	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)c2)cc1	409256778	PZMXPGYTVABDPQ-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OC)C(=O)N1	409319255	COXSCCPGWOKTGV-NHCUHLMSSA-N	621.351	5.192	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	409319554	IFKBTPNDYHPAEA-YNFMAFFXSA-N	653.755	6.362	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OC	409331374	CRSKKMSBOCDPHU-PPDIBHTLSA-N	538.225	6.116	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4ccc(Cl)c(Cl)c4)cc3Br)cc2c1	409336577	PUMRMIYEOFSREV-AQLQTECXSA-N	606.300	7.642	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(Br)cc1	409365830	PBLJDDVIJIETBA-VULFUBBASA-N	532.232	5.953	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1Br	409368290	WWMYHJBMCPPCFY-PPDIBHTLSA-N	634.177	5.860	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccc(Cl)cc1	409374772	YZLZHKPYBVEQOE-ODLFYWEKSA-N	522.830	7.329	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)cc1	409394731	FEYOXSJVQIALEG-UHFFFAOYSA-N	618.487	7.742	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccccc1	409394856	GUCGLOBORXNJJK-UHFFFAOYSA-N	698.742	7.839	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395694	QTARIVGKRMAOAP-UHFFFAOYSA-N	730.196	8.379	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397562	LFQPIGVVXDAHEC-UHFFFAOYSA-N	627.311	8.440	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC(=O)Nc1ccc(F)cc1	409400423	DAEJRBQGZBJRJY-BOABNOFISA-N	664.734	7.314	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)O)cc1	409401858	IKSBTQHHFKXEFC-WBIBEUCMSA-N	652.660	6.614	50	40	KKGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(C)=O	409410056	STWMXQOJUVJBNZ-WBIBEUCMSA-N	666.643	6.091	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1	1529544859	REYUZNUJFFWSPV-CKRMDNAKSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccccc1F	1529548149	ASOBQFUOPHFAEP-AYSITGFNSA-N	781.442	5.657	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC[C@H](C)[C@@H]2CC[C@H]3[C@H]4[C@H](CC[C@]23C)[C@@]2(C)CC[C@H](O)C[C@@H]2C[C@H]4O)ccc1O	2033664790	ACWUUWIBURCOOJ-VWKFREBWSA-N	540.745	5.258	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccc(Br)cc1	1783497	WNSQRLPYIIIBDB-MLYMSBEUSA-N	595.519	5.083	50	40	KKGB	
C[C@@H](Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1	1785408	USALVVBJNPXVBM-AKRJXNCDSA-N	559.475	5.203	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	2163645	JESULNBNRHZYIK-OAQYLSRUSA-N	597.090	7.021	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCc1ccccc1	2672394	ZEVYXOGYDKZVGJ-ZXVVBBHZSA-N	545.042	6.995	50	40	KKGB	
CC(C)(C)N(NC(=O)N[C@H](c1ccccc1Cl)P(=O)(Oc1ccccc1)Oc1ccccc1)C(=O)c1ccccc1	8453175	GJGCJWMOBXPIBY-NDEPHWFRSA-N	592.032	7.845	50	40	KKGB	
CCOc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(C)cc3)C3=C2C[C@H](c2ccccc2)CC3=O)c([N+](=O)[O-])c1	8456161	MVELHYCXIJRZAD-ZTOMLWHTSA-N	520.589	6.000	50	40	KKGB	
Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1	9346370	PVJUBDIKPPEYGG-HYARGMPZSA-N	505.983	5.404	50	40	KKGB	
CC1(C)Cc2cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)ccc2O1	10299228	JBCNCXGOZVTGQC-WKULSOCRSA-N	503.027	6.685	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/C(Cl)=C/c1ccccc1	16450781	FXZMMYOPCHHELQ-CNKTWILHSA-N	509.418	5.513	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1F	59198845	HGSDEJGSUWCUBE-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C(C)C)cc2)N1	96934305	SKHWGUSXPKRQEH-HHHXNRCGSA-N	569.712	6.719	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C(\C)c1ccc(Br)cc1	97944473	HFJMHHUEXBGDRU-CVKSISIWSA-N	533.883	5.125	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1	97962646	KJSLJNAHONDSLG-IASPTZJGSA-N	615.503	6.154	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2c(C)cccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965745	MMZPBWLZTYIHSZ-CULHFBHGSA-N	646.607	8.433	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	100228664	HAACPDXGBJEPPC-STKMKYKTSA-N	587.698	5.409	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccccc1Cl	100336620	NZXDYZUZWBDMNF-ZDLGFXPLSA-N	533.647	7.517	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	100351142	XXIVXZUJAIUFQX-HPNXWYHWSA-N	610.711	6.401	50	40	KKGB	
CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1O	100873417	IQXCFUOZIOXUFF-FDAWAROLSA-N	543.693	5.887	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1Cl	100912494	GTYAAEAQPKOHTI-BDPHVXEFSA-N	542.875	7.020	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccc(F)cc1	103754226	HHNLGAXZAONFCE-IPPBACCNSA-N	542.573	5.744	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	103782971	COVAKNVVHNUHKV-KVSWJAHQSA-N	571.686	7.543	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OCc1ccccc1Cl	107659878	WYQAJZXXKMPSPG-NHDPSOOVSA-N	540.788	6.858	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	162398145	QCBJSWJCPMJLSI-ATZGPIRCSA-N	629.497	5.496	50	40	KKGB	
COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc[c-]2[C@@H](C)P(c2ccccc2C)c2ccccc2C)cc1C	206536865	PEMREMWNJARMMP-WJOKGBTCSA-N	605.719	8.225	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1	208883430	VKPJSEKDNMCPQE-QRQIAZFYSA-N	519.689	7.506	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	216062423	DKSNWQCTVRLBMC-RWPZCVJISA-N	531.834	6.243	50	40	KKGB	
CC(=O)[C@H](/C(=N\NC(N)=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	245240231	OWHOMSYXRWWYIM-UTXPGOBXSA-N	563.780	5.496	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408528924	XNRJBPTVVHIOKI-RPPGKUMJSA-N	508.199	5.864	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC	408538877	QWZPXEVBKDDQEM-XQNSMLJCSA-N	527.503	7.750	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1	408538903	RCKHRJZTHSAGNP-KOEQRZSOSA-N	525.004	7.052	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540573	UCFLISKBNLEUNT-APTWKGOFSA-N	545.035	6.669	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)c(C(=O)OCC)c1C	408547150	SEKHFLQITOHVCM-MWAVMZGNSA-N	642.777	8.562	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(C)cc1	408555095	VLSPAJOQTIQJEW-CIAFOILYSA-N	623.516	6.935	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(I)cc1	408567902	GSDQLPVBTAIZAS-PXNMLYILSA-N	604.217	6.721	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	408583046	RIMPQZZNLNZZRI-VXLYETTFSA-N	541.829	6.510	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408638960	DTUFYPVEADVNRU-NGSHPTGOSA-N	702.783	5.721	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1C	408648714	KDAUBTVVXIMDAL-XLQOOHLRSA-N	657.186	5.628	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Br)cc1	408653433	PUMSWJUTBXCPND-BZDUYGCESA-N	708.028	5.774	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)[C@@H](Br)c3ccccc3)cc2)cc1	408682657	LBNJOWMYQOFUEH-XCZPVHLTSA-N	542.429	6.792	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408718934	WRMIEFSDNDSFIZ-DIXZDNIDSA-N	540.285	6.620	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2c(O)c(Br)cc4ccccc24)cc1)CCCC3	408733677	ZLDRYWCMNFRIGT-IBBHUPRXSA-N	587.499	6.020	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408742865	QFKMRFOAQYKCQB-GOJREDGKSA-N	551.602	7.533	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408743176	FBZTVXGNXKVRFU-WQRHYEAKSA-N	546.248	7.279	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(I)cc1	408744249	JUPIFNQWLPLEJX-ODLFYWEKSA-N	650.254	6.338	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)ccc1I	408745965	BPDCEQIICWMUBH-ORBVJSQLSA-N	759.991	7.317	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)ccc1I	408747875	VCKPEZUETWQWHA-MZJWZYIUSA-N	523.374	5.375	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408756688	SJKJVZQNMGGZNQ-ZHZULCJRSA-N	580.950	8.013	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccccc1[N+](=O)[O-]	408756819	URCGTYKWMJTIMV-WYMPLXKRSA-N	533.176	5.463	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccc(C)c(Cl)c2)cc1	408777576	CJAWSZPEJDHNJR-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccc(Cl)cc2)cc1	408779459	FCDNJZHLZHKESW-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1c(Cl)cccc1Cl	408782253	GDQWOURRXNIDED-WQRHYEAKSA-N	560.275	7.588	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1	408791858	DLVLRRQKYMGGHP-VXLYETTFSA-N	605.245	6.880	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccccc1	408819587	XVZLJZUNJQXAIX-RHLNUJDMSA-N	634.255	6.259	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408824062	PFFBSIOGQWXBER-YDZHTSKRSA-N	642.366	9.403	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1	408825834	ARPGAPCKISVWDU-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1	408839202	OQZNSAAOVFYGNM-WCMJOSRZSA-N	571.062	7.287	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(Br)cc1	408840863	CNAUQIMFALVSBX-KULFSUQXSA-N	787.905	9.316	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408841725	KEGHUMHHWYSTOK-JJKQSNDFSA-N	623.882	7.593	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccccc1F	408846111	XMIVHUJWAZQZJD-PXNMLYILSA-N	669.188	6.068	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408847822	VUPPQJSHGAKMMM-ACXHZZMFSA-N	672.317	6.136	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)c(OC)c1	408849830	ZQUSJPZPTCYSLD-SSDVNMTOSA-N	525.432	6.430	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408856539	HNGSMXHQMYJEFR-CDLBOOTPSA-N	694.559	7.644	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(C)c(C)c2)cc1	408857668	LPSCNWWQAGVAGA-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc(F)c1	408857906	PUWURMKZRWRLHE-QJOVZPHJSA-N	612.499	7.706	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408861270	BELKXNHLEMAFAD-ODNPBWNPSA-N	638.668	5.685	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc(Br)c1OC	408862835	MVQMAGAHCROABL-ZCTHSVRISA-N	550.497	5.685	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cccc(C(F)(F)F)c2)cc1	408864796	ZIPOVPFYBBHXNH-QNVXDBMFSA-N	637.511	7.074	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3Br)c(OC)c2)cc1	408865894	CMGDSPCCWPIOJZ-WOJGMQOQSA-N	556.254	6.365	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccncc1	408869496	PRPUMBSTVDHXHQ-GATIEOLUSA-N	523.612	5.603	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OC(=O)c1ccccc1	408881706	OFEJLEKAAWJEBB-LDADJPATSA-N	524.314	5.065	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccc(F)cc1	408886241	IWLRSSBWXGRWKF-LZYBPNLTSA-N	550.211	7.028	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408899171	NTWIXJKPMLNDRF-XODNFHPESA-N	507.801	6.154	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(Br)cc1	408903937	BLQDITCROPHSJW-QDTIIGTASA-N	572.799	6.499	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(I)cc1	408904999	RSKMVZRHVNYDHE-PPDIBHTLSA-N	697.223	5.902	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2Br)c1	408922071	CZDLLTIUUDYKKY-CAOOACKPSA-N	605.670	7.206	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1	408923096	JFAWNVILZDEBLJ-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2cccc(C)c2)cc1Br	408939652	BCGIRSLEDKDOKJ-SSEXGKCCSA-N	681.609	5.230	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408946444	AEKMEUHNEFLBJG-BKUYFWCQSA-N	626.292	6.380	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c(F)c1	408965122	GHQQXJMGCVUMGL-IPBVOBEMSA-N	659.624	5.903	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccc(Br)cc1	408965873	JNRRGQUIKKPWQL-KVSWJAHQSA-N	561.205	5.574	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408972319	RLSGQQULXBDHSX-IJBWTBNXSA-N	544.479	5.994	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCC(=O)O	408973060	RQMBZOZGQPCHCR-IVGMDIRTSA-N	728.367	5.105	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1C#N	408973145	ZFZBUYJEUHKHEY-ACKWJMOASA-N	737.422	6.506	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408981523	BNYCVWAGVVNGAA-JMIUGGIZSA-N	590.732	8.571	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1Cl	408989226	SQCWRRUKLLDINH-NLRVBDNBSA-N	559.025	8.227	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408994747	ILFBDFLBTJRNJR-YPXUMCKCSA-N	632.092	6.778	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1cc2cc(Br)cc(I)c2o1	409016302	GTGQVWBWSBHVBP-YSURURNPSA-N	617.715	7.430	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409031983	IGOQGITVPRJLDJ-DLCNMLRHSA-N	605.319	8.314	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)cc2)c1	409033287	KRSXRMOMRNXGMB-QGOAFFKASA-N	554.002	5.594	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Br)cc1	409040127	SOBKZMDWYOUXBJ-HQDYHJHZSA-N	584.901	7.969	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	409063357	AISFKNBJEHWYMF-QGOAFFKASA-N	557.422	5.170	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409066541	BAGJGJAZIAIADU-HYARGMPZSA-N	537.443	7.254	50	40	KKGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	409071785	PNTZNMRPDQFENF-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	409075509	WMWCFDYXOCSFKB-LFIBNONCSA-N	519.760	5.843	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409083595	VMDGJUKNVDIFGR-LDADJPATSA-N	534.912	6.231	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(C)cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409125993	GLRIGRWWNVQUMX-AREMUKBSSA-N	550.497	5.719	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc(Br)ccc1O	409149302	AYBRONAMZUGBQC-OXUBWTJQSA-N	651.964	7.329	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(Cl)c3)c(OC)c2)cc1	409151622	HMNWICOZMNFZDN-WCMJOSRZSA-N	678.911	5.238	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2cccc(Br)c2)cc1	409183129	AIFGMCVBFVCMIJ-UHFFFAOYSA-N	534.520	5.661	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409217071	RGFMYHZKGYYSEA-IBBHUPRXSA-N	563.934	7.595	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OCC	409225279	KHGAUMHDPIFZOH-BKAYVGFPSA-N	502.352	5.039	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409252295	DAAFUEWMOYNMPB-WKIKZPBSSA-N	622.803	5.033	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl)Nc1ccccc1	409254096	HQGRAMCJTMWUPJ-ZRGSRPPYSA-N	521.198	5.537	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1ccc(Cl)cc1	409259417	ZIXFCXVKWMOZID-DEEARYFJSA-N	520.029	5.383	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409260050	JWRDBAXLGBTYET-XKZIYDEJSA-N	606.473	5.814	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409267214	UCOYJUZBZFELHL-WWTGGXICSA-N	526.818	5.185	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409305720	WXVKJQYOPCZJMO-LEWJYISDSA-N	641.371	5.881	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	409316365	YQGXHICBUKRVBE-FDVSRXAVSA-N	608.860	6.094	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC	409320923	FUQIWRFNHIKMEF-FDVSRXAVSA-N	618.424	5.138	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)ccc1OCc1ccccc1	409325941	DKZOJJOKWYNNMJ-BIKKEBSBSA-N	653.573	8.322	50	40	KKGB	
CCCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OCC)c(OC)c1	409332821	MYWNDPBANBXHEU-FMCGGJTJSA-N	514.214	5.172	50	40	KKGB	
COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409335407	WRWGNNXACIDRQV-KGENOOAVSA-N	500.532	5.897	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccccc1Cl	409373136	MNXCLMWBFYDWBX-ZMFRSBBQSA-N	579.778	5.133	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395575	PHEDPFDTSDYCIF-UHFFFAOYSA-N	696.739	7.905	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409395867	SPPWCNABINRZKR-UHFFFAOYSA-N	606.398	7.599	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409396567	ZCEVAZGJLAKEEN-UHFFFAOYSA-N	730.240	9.049	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(C)cc4c3-c3ccccc3Cl)cc2OC)cc1	409397212	HLNWJIYCKSEWIR-UHFFFAOYSA-N	568.029	6.797	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397862	OUDNWTNBMVCQKI-UHFFFAOYSA-N	717.869	8.103	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398969	XFKVQVQDKHQGPJ-UHFFFAOYSA-N	586.475	7.750	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(N)=O	409403102	LWJQZGDXZCCZOA-VKVKMMGJSA-N	629.895	5.319	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)OC(C)C	409406365	WINAELINTZTGFY-PMNVOCJDSA-N	717.411	6.894	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCc5ccc(Cl)cc5)cc4)ccc32)cc1OC	606422505	ZNBUMIAHPCBNLO-SSEXGKCCSA-N	569.013	6.374	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(/N=C/C=C/c1ccccc1)c1nnc(-c2ccccc2)c(-c2ccccc2)n1	1626343	CMZPQMALKOQRAD-WMMOABOTSA-N	571.553	6.368	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(OCCBr)c(Br)ccc12	3127937	XLTNTXSFQBOFDJ-UHFFFAOYSA-N	527.234	5.867	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	8406247	LZQDPZHVCQLSLN-VWLOTQADSA-N	589.142	6.631	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc12	8812936	KXWKMNFUUMRXDY-OKCVXOCRSA-N	514.379	5.825	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	20207113	YVWLIQUEIDNFTO-RDRPBHBLSA-N	528.074	5.481	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2	59297566	YGXHKETZYAPGJH-VXLYETTFSA-N	504.373	5.948	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)c1nc(O)c2ccccc2n1	97966940	VKAOYDZOTGQMSM-JJIBRWJFSA-N	539.570	6.970	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(C#N)\C(O)=N\c3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)cc1	97968653	RFZQDMCXCAWHCJ-HEQFHQOESA-N	566.466	6.885	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1	98048787	IHRZIJROJVONAH-MHZLTWQESA-N	545.064	6.055	50	40	KKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c1	100218093	XPUVJAKBBZEINI-RQXXSLPSSA-N	613.559	8.745	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)cc1	100239765	JRYBAXYUJGARIU-AJBULDERSA-N	544.677	5.147	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	100240040	PCWQZONQCNKBOK-BIZUNTBRSA-N	611.189	6.214	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1	100240046	DCYHTDRAWIFUEO-ZCTHSVRISA-N	565.095	5.492	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1O	101625109	WXSNHKKHQZNNRK-KALUYTGESA-N	573.068	6.567	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@H]1c1cccs1	102809888	PFYVHPWZPIFZRT-HKBQPEDESA-N	592.746	7.189	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccccc1Cl	105511510	ZBVGRIQYAQJNNA-DPNNOFEESA-N	540.019	5.936	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795475	URTMFKIJJSLCIU-RTBURBONSA-N	856.343	12.891	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccccc1	408536692	AJWRUGDBHSXLLA-PMHDSTOGSA-N	703.264	9.836	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)Cc3cccc4ccccc34)cc2OC)ccc1OCc1ccccc1	408539946	KUUCCTFIZSRUAS-RHKOWXKBSA-N	574.677	7.098	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408540634	ANELLUHKYNSZES-UXHLAJHPSA-N	506.002	5.318	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408540742	BHECZAMAHDCYFB-IDUWFGFVSA-N	531.779	6.478	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)c(C(=O)OCC)c1C	408545974	AZLBTRDGAYXCJS-PXLXIMEGSA-N	572.658	6.579	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408566503	AGCKMHMXIOORCL-XAZZYMPDSA-N	656.451	7.741	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408578803	BBFUOSQGGNCCAE-GIJQJNRQSA-N	501.797	7.046	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Br)cc1	408613261	YMIVVRAOGGOTKU-MUFRIFMGSA-N	538.442	5.250	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1C	408650657	MOTKSGAKQPMETB-YKIFOBKMSA-N	657.186	5.628	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408657479	UHWPNDDMSANAKR-CYJHHTLLSA-N	678.399	7.777	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Br)c2)ccc1OCc1ccc(I)cc1	408784329	RRHWZTAJUZFONK-ODLFYWEKSA-N	546.202	6.705	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408791004	SIRZNUVAHAOBQH-YBFXNURJSA-N	539.357	5.508	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Br)cc1	408797204	QIVPCTFDNOXROM-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1	408799147	JUVGMEQMQAWHEH-GZTJUZNOSA-N	512.747	6.135	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C	408806646	GARNKEUIQFDNDM-MWAVMZGNSA-N	538.647	8.160	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408813134	PQPAKKQTLYKIIR-WQRHYEAKSA-N	540.345	6.020	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccc(F)cc2)cc1	408833173	ZNJUTYASXOJHSO-ZCTHSVRISA-N	531.609	5.059	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408836614	SZARVZMTXFLSBS-LPYMAVHISA-N	642.764	9.113	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408845083	QILGLQOEYIVSSH-UHFFFAOYSA-N	542.842	5.953	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1	408847636	NUVRUZMIJHLYRB-WBIBEUCMSA-N	572.467	8.242	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc2ccccc12	408847639	NUWXUNAOXBDFKW-RSEYIHLLSA-N	654.608	9.440	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	408863548	SQIOUFBVPZWJBK-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2cccc(Cl)c2C)cc1	408877166	QLEFJTDNRONFAS-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1Cc1ccccc1Cl	408877376	VLDATVZXMUBTGU-BUVRLJJBSA-N	587.901	7.827	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408887104	MBJOFLBZXXWOMV-XDHOZWIPSA-N	610.291	8.073	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	408888112	SNUMYCMSVCCGJH-HMMYKYKNSA-N	517.810	7.380	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408888765	AIEGRTKDKTUOBP-OQLLNIDSSA-N	561.175	6.429	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408891971	WNZZOXKHOPGLLY-WOJGMQOQSA-N	541.969	5.187	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1	408894826	JDCGHXLXDFSBSV-GIJQJNRQSA-N	512.349	6.343	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408899898	RPVVUXYNPKUGLB-LGJNPRDNSA-N	528.359	5.026	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(F)cc1	408905367	XYEQTIZOUKNYEC-QDTIIGTASA-N	511.893	5.875	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1	408953808	YEVSSOSOUBQIJM-PMERELPUSA-N	671.603	5.856	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)c(OC)c1	408956590	RIKKRLZELJEAQL-WLCOTJRJSA-N	827.470	6.515	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)cc2)c1	408997433	OOMGTSBKVRXOIW-UYRXBGFRSA-N	510.331	5.424	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC	409029721	AQXQPTRXKWUJHD-YKQZZPSBSA-N	528.406	5.839	50	40	KKGB	
CCOc1cc(Br)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC	409041213	ZTAXXOHKGHLAIC-RHANQZHGSA-N	518.411	6.226	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OCc1ccc(Cl)cc1	409049978	RTYUICIRNAXNPK-IDWIKUEFSA-N	562.069	7.635	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1	409129249	KONKOBJTLTVSAY-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409131600	JLIILGZHQWXDFR-XMMPIXPASA-N	660.363	6.081	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409148585	ZKUXEGUSPOCJKI-QLQYKETESA-N	681.167	5.362	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4)c(OCC)c3)cc2c1	409186458	CGUMFFYZSKNILJ-MWLSYYOVSA-N	537.410	6.336	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1ccc(Cl)cc1	409187181	NCKGEHCFIAGRCL-LJUMEUDFSA-N	518.997	6.565	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccc(Cl)cc1	409191524	YEBNEDOZSOVAFF-OPEKNORGSA-N	661.621	5.800	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc2ccccc2c1	409216022	DAWZFVZPSCEJFI-QRVIBDJDSA-N	562.363	7.004	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccccc1O	409218444	FHHILTXDJHEWMC-VSPBFFAOSA-N	592.449	5.121	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)CCc5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	409218714	GOFFTKWMHQOTLO-GTOJVBOBSA-N	574.080	5.934	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccco2)cc1	409223769	HLDJYMPRZSFPTA-FDVSRXAVSA-N	562.922	5.085	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1ccccc1	409228387	YFRAYZGOGUPXIR-OBLBUWMUSA-N	558.245	6.714	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccccc1	409237054	VKHXBTWUNIAHBD-NBZOHKLQSA-N	678.264	5.957	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)cc1	409254520	ZLGPQNBXPMGADP-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409271483	LLNQYRAQXAAKIQ-FDVSRXAVSA-N	585.442	5.397	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC	409313514	CEQGBYZVNSRCAN-MBTHVWNTSA-N	549.432	5.407	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1	409315690	WAHJOWIKZXGVDX-MJXLXAJKSA-N	644.400	7.520	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)ccc1OCc1ccccc1	409319682	KERMYRRMRRICJB-OHUYPAJKSA-N	702.421	7.029	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)ccc1OC	409322145	KTSPKYMMWWBSTJ-MUXKCCDJSA-N	605.283	5.400	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	409324565	UEDFVLTVWWDPEM-HWIUFGAZSA-N	524.617	6.406	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409342572	GPVOCXDPMUQSRU-PNQUVVCRSA-N	569.258	6.435	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(I)cc1	409386077	OIOKJVUNACBHIF-LGJNPRDNSA-N	587.395	5.766	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394538	BVYQJEUAYIWDQE-UHFFFAOYSA-N	597.285	8.432	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)c1	409394845	GPBYNNHUTRQGRE-UHFFFAOYSA-N	734.659	9.612	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccccc1	409395549	OYYJTQPFDODIKA-UHFFFAOYSA-N	528.395	7.125	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409395779	RPSJTBGDKWXDDR-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409399273	YSGGGRLRUWXEPC-UHFFFAOYSA-N	557.528	6.845	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(C(=O)O)cc4)c([N+](=O)[O-])c3)o2)cc1	409400258	CIEJDEUJRANHLK-QMRORBIVSA-N	687.503	6.978	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc5c(c4)OCO5)c([N+](=O)[O-])c3)o2)cc1	409400818	FOJRJKQIXKLBGV-DLCNMLRHSA-N	608.607	6.246	50	40	KKGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1cc(Br)cc(Br)c1O	1808765	KZJDJJMQJJPQBR-DHRITJCHSA-N	515.205	5.566	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1	2234868	HEABLYYUPRSVKR-BSSRNLCFSA-N	504.011	5.804	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1cccc(Cl)c1	2705782	COYMMLSTZPZVIC-LGJNPRDNSA-N	527.831	5.044	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)c2ccc(C)nc2)c1	3085075	JOQNIYLFTTVLBK-RPPGKUMJSA-N	531.204	5.207	50	40	KKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1	3090244	OSDBJWPFUHJXIR-MUFRIFMGSA-N	549.368	5.226	50	40	KKGB	
Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1	8717770	DULDPRWAVJCCCT-YDYXIROLSA-N	518.436	5.823	50	40	KKGB	
COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(C=O)=C3Sc2cccc(Cl)c2Cl)cc1	8782239	ALUWAUFKKVPIFC-UHFFFAOYSA-N	506.454	8.108	50	40	KKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)cc1	12251050	AVCXKGGWBQSLGJ-MUUNZHRXSA-N	509.675	6.828	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(Cl)cc1	12649420	FGIBGMHVUOMTCO-ZVHZXABRSA-N	506.809	5.057	50	40	KKGB	
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	13513818	YIQMKINSBQVDHX-CJLVFECKSA-N	520.010	5.776	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	20026000	ISEMLSMTBOUGAK-DEOSSOPVSA-N	510.059	6.060	50	40	KKGB	
Cn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)ccc21	20428230	NPYDGJWNGXTZAS-BHGWPJFGSA-N	501.178	5.326	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl	33958267	IIZSLVSZVHZFPG-CCVNUDIWSA-N	500.382	5.368	50	40	KKGB	
CCCOc1ccc(C(=O)[C@@H](Br)CC[C@@H](Br)C(=O)c2ccc(OCCC)cc2)cc1	97954240	JHCMLWIFIGOOJP-SZPZYZBQSA-N	540.292	6.637	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(O)(c1ccccc1)c1ccccc1	97961012	QCIUNJZKTPHQLL-SPKJYZRXSA-N	547.658	7.198	50	40	KKGB	
CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)c3cc(C)ccc3n2)cc1	97965842	UOJYQXKTLVEWAZ-KDHRXPGNSA-N	586.692	7.196	50	40	KKGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(/C)c2ccc3c(c2)Nc2ccccc2S3)c1	97980725	WEIXFFPHAUFAPW-YKQZZPSBSA-N	544.658	5.858	50	40	KKGB	
CCCCCCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	97981406	OAGOYZQVIDOAEK-FLFQWRMESA-N	514.682	8.847	50	40	KKGB	
CSc1ccc([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4ccc(Cl)cc4)s3)C3=C2C(=O)CC(C)(C)C3)cc1	98006069	VUGMLWXNYVIQLW-HSZRJFAPSA-N	580.204	7.147	50	40	KKGB	
N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@H]1c1cc(Cn2cnc3ccccc32)cs1	98008126	XWFPYFWJKOPBCN-SANMLTNESA-N	545.590	6.470	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C)cc3)=C(C#N)[C@@H]2c2ccccc2)cc1	98048539	YEHOQLPRAPQETD-LJAQVGFWSA-N	566.683	5.878	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	98048615	VUOSWKFNIRZUPP-SSEXGKCCSA-N	615.542	8.019	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1C	100100447	ROAZGKWYQPFRRY-LUOAPIJWSA-N	523.258	6.309	50	40	KKGB	
OCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100529745	MNBTZWGXQAMLCE-ZCFIWIBFSA-N	546.105	6.082	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1	100827805	LJUZAORXYDSSQS-IDJUBOEBSA-N	546.048	5.890	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1	100990723	FBSUKAISYXNKLX-MZOFLMDJSA-N	522.457	6.045	50	40	KKGB	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1)N2	102459205	WEZPTBQVLURKIX-ZPHQVYNISA-N	570.542	7.769	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Br)c1OCc1ccc(Br)cc1	105858790	JFZPZTZKFZAPEB-LICLKQGHSA-N	556.279	7.473	50	40	KKGB	
FC(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342191	KCJCHVJFMIZCEE-REOHCLBHSA-N	642.009	7.752	50	40	KKGB	
O=C(CSc1nnc(CNc2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	150371678	JBCZFZZXALROSZ-ALQBTCKLSA-N	627.568	6.463	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(Cl)cc1	150440315	AEXISIWJFVZXTJ-KBKYJPHKSA-N	651.069	6.546	50	40	KKGB	
Nc1cc2c(cc1O)[C@@H]1[C@H]([C@@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@H](Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)[C@H](Cl)[C@H](Cl)[C@@]1(Cl)C2(Cl)Cl	263602163	LYSZWEBJHYXSPZ-DYUOGCPTSA-N	708.766	8.130	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2OCC)ccc1OCc1ccccc1	408537593	GAVIWOOZUBHOIR-CVKSISIWSA-N	651.081	8.860	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1OCC	408546008	CBBQUZHAKZHTFE-CPNJWEJPSA-N	511.596	5.092	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408555616	YGIXKIQHXJLFML-RQZCQDPDSA-N	544.822	6.527	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408566993	JQHGVYFIILPNLF-WKULSOCRSA-N	603.311	6.689	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408579553	HSYZSESICJUPOT-YBFXNURJSA-N	547.674	7.907	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OS(=O)(=O)c1ccccc1	408580605	PXGXXXPLECMLES-GZTJUZNOSA-N	596.240	5.894	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Br)cc1	408598705	IWZXEWGMCSOGCN-YBFXNURJSA-N	585.321	7.722	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Br)cc1	408646843	IXUUSPQTYLHDBP-IGQFXSRTSA-N	673.583	5.121	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408651143	NBENIOHIJOPPCD-WGXFHILCSA-N	714.794	5.577	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	408672959	PQEMEIITEBONKI-BDYUSTAISA-N	642.289	7.698	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408675825	BLOMHRXNTDEJFG-NDZAJKAJSA-N	514.582	5.275	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1ccccc1	408683922	NSYRPCXAAGUBSX-AHKZPQOWSA-N	528.402	6.483	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)c1ccc(I)cc1	408712023	WDKMJSSYXVWWSF-IPPBACCNSA-N	575.233	7.094	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408725549	LQWFQUSQVVRLMT-HAHQWYSTSA-N	554.710	6.720	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1	408726521	SIZBHCXGDCRKRT-JAIQZWGSSA-N	525.830	6.853	50	40	KKGB	
COc1c(I)cc(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1I	408739373	ZSGSVMIEMAMMMP-ZYMKGWJUSA-N	695.339	5.327	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(Br)c1OCc1ccccc1	408756899	VDDKNBTWMONZLJ-DEDYPNTBSA-N	507.384	5.981	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408757216	WFGFDKCZUADEDP-QUCVJYLXSA-N	651.421	5.942	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408767806	OSRUDEVYWARJRF-JLPGSUDCSA-N	611.367	7.319	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl	408787590	CHLSNYWNNGNCLL-BUVRLJJBSA-N	603.900	7.815	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408789170	OHKBKBOHRQPYHQ-WOJGMQOQSA-N	576.274	7.288	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(I)cc1	408790278	VKSMRMFFLNQKGK-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(C)c1	408794611	JAKAJPVYURUGIP-VXLYETTFSA-N	569.355	5.641	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)cc1C	408795088	LCCOLKLPOWKWAG-BUVRLJJBSA-N	558.419	7.186	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)cc(Br)c1OCc1ccc(Br)cc1	408801546	VNUKVQMNLBVFAZ-WOJGMQOQSA-N	552.263	5.249	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)cc1	408804026	CDXRZWLHWGPBCY-HAVVHWLPSA-N	521.529	6.049	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408808311	FQLMGDZIBOYQJT-BWAHOGKJSA-N	534.685	6.510	50	40	KKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C	408810470	JCGRZDBYPYBRFF-GXBUFBABSA-N	530.628	6.631	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2C)c1Cl	408820417	XORHJVPJXGPPCX-SDNWHVSQSA-N	563.235	7.123	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408824434	QFELZOPJZQXIJI-WSBIKYRQSA-N	813.782	6.687	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	408826613	HQKCWCKXKADVOR-SREXZBGJSA-N	556.087	6.457	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(C)c2)c(OC)cc1Cl	408835319	YKKQUUHDAJEPAD-VXLYETTFSA-N	541.829	6.553	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408848353	VXTJRLVBLJXQEX-AABVJFSESA-N	743.852	8.917	50	40	KKGB	
COc1ccc(-n2cccc2/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1	408852129	CLYPRSNTSIVQTA-WKIKZPBSSA-N	558.230	5.088	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc(C)c1	408855345	CJDKBXAXFPNYMI-GKVNEZTPSA-N	622.563	8.265	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408855949	IBOZBWTZGRUNKT-ZMOGYAJESA-N	501.413	7.888	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2F)c(I)c1)c1cc2ccccc2o1	408856162	PMCYEBXUACLINB-ZMFRSBBQSA-N	514.294	5.519	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408860917	IKOMJSYWVVALPN-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1Cc1ccccc1F	408865860	CICOASJPXRPOBH-VXLYETTFSA-N	527.821	7.085	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccs5)(c5ccccc54)[C@H]3C2=O)cc1	408868438	QDYFNHHEVDCOOZ-GCSAOIHPSA-N	517.610	5.023	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccccc2Cl)cc1	408877071	PJVIPGCOAOTFIG-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(C)c(C)c1	408878148	WZYKCJKKIZZTJK-KEBDBYFISA-N	514.931	7.109	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408893143	KTPCLPACDUIBHK-ROPCREHHSA-N	624.472	6.160	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1	408893920	GXTJCUXMUONNDE-YBFXNURJSA-N	554.340	5.123	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408913103	PLHNNCXTLGIFSO-XODNFHPESA-N	507.801	6.154	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1	408921813	CFCPBKDGSASAEO-SFQUDFHCSA-N	574.840	5.374	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccc(OC)cc3)o2)cc1	408926487	UHFMQVSSZPZYTL-FDAWAROLSA-N	596.061	5.131	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)c(OC)c1	408953483	LVDDIWITDQVDET-LQNDSBPTSA-N	765.401	5.972	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OCC)c1OCc1ccc(Br)cc1	408966168	KFSKZPQRPWKANO-WCMJOSRZSA-N	536.401	5.930	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	408974095	XEHZVCURHXUUEQ-KUUZMIQBSA-N	713.456	7.297	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408980221	PWSZTSHRIOKLIC-XSCNPWQVSA-N	606.520	7.193	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccccc1	408982405	XUXJGRWUCIPUHB-IFSBUVSJSA-N	540.576	5.655	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409018386	UVKPRAJDPXWEQC-BKVJQJCSSA-N	648.418	7.752	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409021462	JDHNCMWKSAFGGD-BCHBDCPOSA-N	563.191	6.753	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccccc1F	409031813	BLQMQNTUKMKRBK-KMUKQRDJSA-N	554.021	7.436	50	40	KKGB	
CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409037586	SWYUXBFUQDGARS-JEPNHJGPSA-N	564.041	7.075	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409069828	WZWDRCBMIXVQGU-OEAKJJBVSA-N	521.444	7.554	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)OCO3	409092405	XKMXGMODSGSULZ-QHCPKHFHSA-N	546.204	6.282	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409138969	KOHGDKKRIPXKAQ-VWLOTQADSA-N	537.016	5.210	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccccc4C#N)cc3Br)cc2c1	409188283	YGUCCXNYQTVBJM-MNDYBZJGSA-N	548.393	5.817	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1	409223526	FULVBYYAYPLWKN-MTMYAFPBSA-N	695.795	7.808	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409223559	GDRHYHQUOBLOKR-MHWRWJLKSA-N	622.246	6.170	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409224293	JTXLJPSOUZEORH-QJALSTBGSA-N	578.581	5.547	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409259851	GOLHGNXGYLJMLL-MUXKCCDJSA-N	591.833	5.433	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl)Nc1ccccc1	409264544	MAONORLREMHGNA-QNVXDBMFSA-N	650.975	8.295	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409265475	INVWYBGHGABYCU-AEVGBRMKSA-N	698.643	8.031	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409266141	JYINJOPUJPIRDM-VHFSBPNMSA-N	705.034	8.150	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)c1	409268242	YFUKUQPABHVSBL-ODLFYWEKSA-N	549.381	5.537	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)cc1OC	409304470	RDIPONMTXCLBFP-NVJOKUIPSA-N	625.701	5.664	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)ccc1OCc1ccccc1	409312561	LTMBTROFZLUCIJ-IDWIKUEFSA-N	609.520	7.923	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1OC	409314092	FCDZGYOXEDWVTJ-MWLSYYOVSA-N	554.441	5.336	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)ccc1OC	409323256	MTYYMIYKGYKJQZ-QDTIIGTASA-N	641.154	6.724	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409373606	REEBAIKUCCUUAM-BIZUNTBRSA-N	539.588	6.227	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409385340	JOFZFEMZCXYCSO-ZRGSRPPYSA-N	530.444	5.024	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396442	QROKKKMNRRDHTR-UHFFFAOYSA-N	582.056	7.187	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409397122	GNCAMXYGHDVJMD-UHFFFAOYSA-N	649.872	7.085	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397764	NVLJVCJVIMNZPC-UHFFFAOYSA-N	590.438	7.663	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(OC(C)=O)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397829	OMJKRMORMHLKOM-UHFFFAOYSA-N	612.038	6.414	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)cc1OCC	409398186	RQFSXXHNOJYGCC-UHFFFAOYSA-N	596.083	7.577	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Cl)c1	409400059	BECPTBJVILYJOV-VHFSBPNMSA-N	602.518	8.224	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1ccccc1	409401066	GFWSSAMIDULKHK-LRIZEKIPSA-N	603.719	7.736	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC#N	409404326	PVEZHVGJSZGSHA-KYHGBAKBSA-N	591.462	6.094	50	40	KKGB	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@H](O)[C@]1(O)CCC[C@]2(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12	503984169	XDBLYTWRNMYVCA-PVHZVXKCSA-N	544.937	8.836	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(C#N)cc2)c(Br)c1	1529548268	BVKAGXBPMYMSCY-LVOLJPLZSA-N	741.462	5.547	50	40	KKGB	
Cc1ccc(NC(=O)NNC(=O)c2csc(-n3nc(-c4ccc5ccccc5c4)cc3C(F)(F)F)n2)cc1	1415700	JDZDAPKUIFXYRT-UHFFFAOYSA-N	536.539	5.943	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3cccc(Cl)c3)cc2)sc(C)c1C	1785576	OZIHSJYOIMVMHX-WBBAFLOHSA-N	528.030	5.365	50	40	KKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	3090248	ULDHRFYQHKQIOT-WKULSOCRSA-N	547.365	5.292	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1cccc(F)c1	8809613	FUNNWIYWUJUZNX-JOCHJYFZSA-N	518.595	5.238	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1cccc2ccccc12	8811157	SZNUYDQVHIIPET-KBVAKVRCSA-N	518.997	6.252	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	8812950	DGSIURGAVUPFTL-LGJNPRDNSA-N	507.344	5.133	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1	16712247	PNLBVMFRXLWRFX-JDCMOKTRSA-N	518.646	5.937	50	40	KKGB	
CCOc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1	20060145	ZPVQIFBLLLXKBO-UHFFFAOYSA-N	527.731	6.366	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	20170811	FZAAPRLIBGHGJR-RUZDIDTESA-N	502.571	5.434	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	40486428	HCUPCPBZDWDIAW-VWLOTQADSA-N	506.071	6.339	50	40	KKGB	
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)[C@H]2CCC[C@H]2P(c2cccc3ccccc23)c2cccc3ccccc23)c1	60291223	BVCVBGLXUGAVAF-MARHZKFBSA-N	622.773	10.350	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)cc2)cc1	97964094	ZURRURMINZQPEC-GOJREDGKSA-N	575.713	5.094	50	40	KKGB	
COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	97965617	XIIMGMACZIDDMZ-XDHOZWIPSA-N	537.834	7.113	50	40	KKGB	
COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccc(OC)c(Cn2nc(C)cc2C)c1	97965798	BNRVLWHTTDYGFF-LPYMAVHISA-N	526.618	5.618	50	40	KKGB	
C/C(=N/NC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	97965864	KTPPKSRTDORMKJ-DLCNMLRHSA-N	575.899	6.791	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl	100120326	NYVGGBXFWQBBMS-QXUDOOCXSA-N	560.529	6.487	50	40	KKGB	
N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1	100210250	CNHNLVCUAKLTHN-LJQANCHMSA-N	532.467	5.273	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	100229826	WXTBHZADHSJOJD-AACQAFAVSA-N	520.265	6.067	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240197	GMNHOCCSWKHJAB-KCSSXMTESA-N	583.085	5.631	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1	100336407	CBEUSCITIWVFEC-ODLFYWEKSA-N	556.254	6.653	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc4ccccc4c3)n2-c2ccc(Cl)cc2)cc1	100859616	NFEPPABVSPDQHS-DXJNIWACSA-N	542.064	6.382	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NCCCn1ccnc1	101154918	XIMLKWQHXLKGEF-ITYLOYPMSA-N	546.606	5.567	50	40	KKGB	
N#C/C(=C(/NC(=O)c1ccccc1)SCC(=O)Nc1cccc(Cl)c1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl	102416332	JARDOCYNTMQYJZ-OYLURJPMSA-N	614.554	7.887	50	40	KKGB	
Cc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(\C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1	102418798	JIWBXEBHBJKNOT-RRJCCJQHSA-N	594.136	7.542	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cc(Cl)ccc3OC)=C(C#N)[C@H]2c2ccco2)cc1	102513427	GFSINWRALIMWGU-MHZLTWQESA-N	607.088	5.825	50	40	KKGB	
O=[P@]1(Nc2ncccn2)OC(CCl)=N[C@@H]1c1ccc([C@@H]2N=C(CCl)O[P@@]2(=O)Nc2ncccn2)cc1	104246143	XOXNHNUFOLUVLI-TUNDLLPESA-N	567.270	5.209	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1C	105200414	OXGJTPZGCDPPHG-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342239	JALZGLPHHNARGP-REOHCLBHSA-N	942.051	11.564	50	40	KKGB	
NCCCC[C@H](C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	150400187	BCEKQYFMCZRDDW-VSJLXWSYSA-N	754.793	5.982	50	40	KKGB	
CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	150415290	OCYKIXWOKGZMTB-KKESWQSKSA-N	674.131	7.938	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2SSc2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	150609975	VKKIALLEBCJZHT-UHFFFAOYSA-N	636.748	7.042	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	216062903	HEAZTAQJCKQGLH-IPPBACCNSA-N	613.279	6.738	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539223	FZZKMZWNVSQDON-FZSDHLTPSA-N	646.740	7.603	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539829	ZHAXKSMRDUBHKG-PKAZHMFMSA-N	534.612	6.716	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1F	408544048	ULDHXUJHTNCSKB-JAIQZWGSSA-N	543.332	6.170	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OCC)c2)c(C(=O)OCC)c1C	408547134	RQMDCBJFAKQMLJ-HZHRSRAPSA-N	561.656	6.106	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(C#N)c1C	408547187	UCUQSJKHPMDBKV-RGVLZGJSSA-N	576.505	7.442	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408551575	NVLZDRLBTGSFRA-MYYYXRDXSA-N	541.445	7.391	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408642807	NWYGHVHXMDIYOI-KIHHCIJBSA-N	787.310	6.232	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408646178	TWJCEJLGIMSXQN-NVPYSNMXSA-N	782.225	6.283	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21	408651583	NNHORCPRWUESGJ-XOHCFOMMSA-N	533.839	5.428	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	408711619	BQKMCFHRMOBWNQ-MNDYBZJGSA-N	580.306	6.825	50	40	KKGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408728147	WEDIINYIERGMDY-RWPZCVJISA-N	573.414	5.507	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccccc1	408744141	XADMFLNTEXPKAQ-ZDLGFXPLSA-N	511.759	5.925	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408758184	HGOOQFWVSBJSOI-MFOYZWKCSA-N	638.097	6.941	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408770922	BAHXQRBGIKVZFF-ZHZULCJRSA-N	557.950	6.902	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCc1ccc(Cl)cc1Cl	408777606	DBCKACFCTCCKAD-HCNMGLPWSA-N	637.223	7.358	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)c(Cl)c1	408778597	IAWDDTZIXVPMBH-BWAHOGKJSA-N	532.471	6.557	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)c1	408781033	QFRZSTRKVALTKL-ONUIUJJFSA-N	554.488	7.598	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408791007	SJBQFGCVADSUBK-VCHYOVAHSA-N	512.349	6.425	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1cccc(C)c1	408796746	PUDPMOSJMABVMT-KEBDBYFISA-N	525.830	6.853	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1cccc(F)c1	408798738	WXHDVUAACBOKMT-CAOOACKPSA-N	562.766	6.217	50	40	KKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408807426	CJKAOBQUSJVUIV-TUVAEWESSA-N	503.440	6.783	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccccc1F	408814765	GKYPOZKLYZHDPZ-SXGWCWSVSA-N	595.181	6.457	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)NC1CCCCC1	408818783	QOJDMUPXEDNNBS-WOJGMQOQSA-N	518.249	6.146	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(C)cc2)cc1	408825641	DKHCDNUFTOYKRB-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC	408828905	MMFUKBHUQFQNEW-HYARGMPZSA-N	578.406	5.745	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OCc2ccc(F)cc2)c1	408834650	UVKOSXGEWOUERT-OEAKJJBVSA-N	577.439	7.845	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408840034	XBEFSAMHGHTCJX-KPGMTVGESA-N	644.021	6.607	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1	408841274	FEDLADZMTZNEPA-UHFFFAOYSA-N	508.943	5.098	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408853734	XDBAUCODRQQGDQ-PPDIBHTLSA-N	603.223	6.218	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)CSc4ccc([N+](=O)[O-])cc4)c3C)sc3c2CCCC3)cc1	408855380	CRINLOZSONDTLS-VTNSRFBWSA-N	601.754	6.746	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(F)cc1	408857899	PQUBOXBPOANFBO-CXUHLZMHSA-N	520.185	7.020	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408859190	MSWOQVGXBOUTFD-VWJSQJICSA-N	601.434	5.571	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1	408870225	SFVXULGANBIGKS-LPYMAVHISA-N	505.412	6.453	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(I)cc1	408878336	APVVUZJSCSKBQH-UKTHLTGXSA-N	519.682	5.658	50	40	KKGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	408881663	JWIXTAGXDRBMGC-NDZAJKAJSA-N	534.037	5.265	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1OCc1ccc(Cl)cc1	408886082	DCARFNMRYBMEAK-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408886618	HQANKKUDHNJQPH-KCSSXMTESA-N	592.649	6.687	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OCc1cccc2ccccc12	408888600	XRFBYLHQOKTUTE-HYARGMPZSA-N	618.427	6.666	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OC(=O)c1cccc2ccccc12	408889440	HASMGJKRQBXXGO-WCMJOSRZSA-N	626.301	6.755	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)c1ccc2ccccc2c1	408922045	CVRUDILHMQWMIA-MYBYBSHWSA-N	598.662	8.100	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	408923883	KVLUBCQUVQNJRG-MHWRWJLKSA-N	575.386	5.173	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Br)cc1	408948309	FLJRXXNZJXIRNV-HMAPJEAMSA-N	530.422	5.784	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccc(N(CC)CC)cc2OCc2ccc(Cl)cc2)c(OC)c1	408951939	JIYIWUWMASLAHR-JGOCILMOSA-N	678.186	5.494	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408971006	FQIQAUIUDHIGTA-OABMOIASSA-N	521.489	5.288	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1nn(-c2ccccc2)c(N)c1C#N	408974744	DBDYZULWZHUAGD-VCHYOVAHSA-N	520.807	6.930	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cc2cc(Br)cc(I)c2o1	409008821	KQXORISYZYULOC-YSURURNPSA-N	569.580	6.477	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)ccc1OCC(=O)Nc1ccc(C)cc1	409012908	LOSKCFOWEPLUQQ-NUJZUDFISA-N	619.310	5.465	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1	409026085	FSPYSCOSSTZVFG-AJBULDERSA-N	528.678	5.311	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2ccccc2)nc2ccccc12	409036834	RRPONVXVMGRIFN-ZCTHSVRISA-N	502.530	6.153	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(C#N)cc1	409048896	XQTDQHGEIBSUFX-ZSNJKBEMSA-N	561.041	7.168	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc4ccccc34)c(OC)c2)C2=C1CC(C)(C)CC2=O	409127233	QJLOBNUQIARSAA-SSEXGKCCSA-N	537.660	5.810	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl	409172173	IZWQAMDPWMXIOF-KVSWJAHQSA-N	578.250	5.171	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)NC1CCCC1	409191002	YAUHFYPIAZXKEH-BOPFTXTBSA-N	551.222	5.598	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc5ccccc45)c(Br)c3)cc2c1	409191094	ZTHCYZCUSATKFN-LJUMEUDFSA-N	543.417	7.090	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409223031	FZDFBJKQMSEPRE-GBMQDICCSA-N	637.317	7.391	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409227492	YYLIUOJAVNAORA-UHFFFAOYSA-N	532.383	6.229	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1cccc(C(=O)O)c1	409230185	XIYLETORYYOCNW-VLZFXTDASA-N	596.421	5.751	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	409233997	XNGNDPIRTIZXBS-YQUKCCFRSA-N	511.578	6.085	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409246080	DONQBKVFNRGGKH-WQFTWXBESA-N	505.958	6.010	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409251118	OLKFKHKEFHQWQM-RGVLZGJSSA-N	616.434	7.047	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	409255914	JKOYZOMRAALZHN-KFTQWTFOSA-N	500.357	5.215	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409258294	VXOFJGKAZIMPAT-ZDLGFXPLSA-N	650.300	6.868	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409269906	AXNHCWFSXPLBKW-ODLFYWEKSA-N	524.404	6.182	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409325440	YPSWURCHSVTWFU-GTWSWNCMSA-N	560.628	5.205	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OC	409335314	VCJCXDRRUIFAOL-ZMGVVAQMSA-N	632.939	6.388	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1	409363280	LGAIHOYFPPRYRT-BOPFTXTBSA-N	601.372	5.011	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccccc4OCC(=O)Nc4ccc(F)cc4)cc3)cs2)cc1	409363656	LVXHSTWEWJHPSR-HQDYHJHZSA-N	579.657	6.783	50	40	KKGB	
COc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)c1OC	409369515	CHJVELYPJFIPIQ-QDTIIGTASA-N	615.333	5.114	50	40	KKGB	
CCOc1ccccc1/C=N\NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C	409370897	DBZOMSVMIBDHLR-MNDYBZJGSA-N	562.519	5.659	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(C(=O)O)cc1	409373226	FYCSMGLEGCCAPB-JAIQZWGSSA-N	579.394	6.216	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccccc1F	409384895	FSFYIUWGQYIMFM-XODNFHPESA-N	527.961	6.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409387959	ZEHZPBDWFVIWPZ-KKMKTNMSSA-N	584.404	5.622	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1	409396786	BDGOFGRZLBKXCI-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409397161	GYZJYASAFLXPQW-UHFFFAOYSA-N	625.081	6.471	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397391	JHGZUGWDBPTKSR-UHFFFAOYSA-N	586.475	7.750	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)[nH]c12	409397933	POBTXUQWYOCUFU-UHFFFAOYSA-N	568.029	6.797	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409398922	WMXYHFQHXOFBMR-UHFFFAOYSA-N	546.385	7.264	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc(C(=O)O)c4)c(Br)c3)o2)cc1	409400736	FGZHFJKDGUVFFV-AEUUOICLSA-N	642.506	7.070	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409402344	JURBMTFCOPQKKN-APTWKGOFSA-N	536.632	6.446	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccccc1F	409403849	OILQBXRWQREIMJ-CLHYIUPASA-N	624.669	6.585	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1	1529545686	ATFCIQDVKZSYIJ-WEYKRHLWSA-N	638.746	5.312	50	40	KKGB	
COc1cc([C@@H](c2ccccc2)N(C)[S@](=O)C(C)(C)C)c(P(c2ccccc2)c2ccccc2)cc1OC	1857795064	JRKPWFKMKYGFTG-XWDCEDKXSA-N	545.685	5.945	50	40	KKGB	
Cc1ccc(-c2nc(-c3ccc(/N=C/c4ccc(N(CCCl)CCCl)cc4C)cc3)cs2)cc1	1667946	ITGVMXCSYHJOIJ-FDAWAROLSA-N	508.518	8.129	50	40	KKGB	
C=C(C)C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C#CC(C)(C)OOC(C)(C)CC)OC(=O)C(=C)C	2153702	XSWFWWRZCMSVDA-FKISQLHASA-N	576.774	7.801	50	40	KKGB	biogenic
COc1ccccc1/C=C/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3	2233336	YGYSWKMASDMTAZ-QEMNTESVSA-N	544.702	5.551	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1	2705920	XBNUJLYQXUKRAB-RWPZCVJISA-N	535.467	5.514	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc3ccccc3c2)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1	13174389	AKOGSNLCLYIQQS-AREMUKBSSA-N	500.023	6.294	50	40	KKGB	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1	97947588	HLROJPHTRMAHCP-PGMHBOJBSA-N	540.069	8.634	50	40	KKGB	
CCOc1cc([C@@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(I)c1O	97959975	CRWMSCLITBKRTI-QLVMHMETSA-N	542.421	5.261	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(I)c1OCCOc1ccc(Cl)cc1	97964544	GKQZWWQAKMTJIU-GZTJUZNOSA-N	578.790	5.227	50	40	KKGB	
COc1ccc(-c2nn(Cc3ccccc3Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	97965621	MWRMLMDOUUAZJO-DEDYPNTBSA-N	533.415	6.468	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F	98000065	MQZAITNOPUVZRZ-VWLOTQADSA-N	555.578	5.705	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1	98001358	AAHCWVSTQPURBQ-IPBVOBEMSA-N	615.105	6.575	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(=O)OCc3ccccc3)=C(C)N2)cc1	98048732	UVZPYEHOKFGKOY-GDLZYMKVSA-N	558.103	6.714	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100124844	BNXQPPZLCZUAPY-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Br[C@H]1CC23CSCC2(C[C@H]1Br)C[C@@H](Br)[C@H](Br)C3	101042802	AQSPUIQUKLGURA-NKIOINFDSA-N	511.943	5.348	50	40	KKGB	
Cc1ccc(C(=O)NNC(=O)c2nc(SCc3cccc(C)c3)ncc2Sc2ccc(Cl)cc2)cc1	101416692	WPDULYWOQJVYIF-UHFFFAOYSA-N	535.094	6.265	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	102077146	UGKHXOVALLJLCC-ZYGWBPEKSA-N	563.293	7.365	50	40	KKGB	
N#CC(NC(=O)c1ccc(F)cc1)=C(Sc1ccc(Br)cc1)Sc1ccc(Br)cc1	102584171	RCESBZLYKDBWCG-UHFFFAOYSA-N	564.299	7.358	50	40	KKGB	
O=C(O)c1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	102975618	WHONIVQSYJOJLV-HWLDZIHSSA-N	559.869	7.094	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882852	IMQLJSTVYMUELP-STZFKDTASA-N	599.298	6.185	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc2ccccc2c1	103890921	QGRVOTJTIIPDGA-XYGWBWBKSA-N	543.450	8.008	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1	103899179	JSXWTQSUSXKLOF-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	103902612	HDPRFLJSJMCDIR-WKULSOCRSA-N	557.459	5.204	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1cc(Br)ccc1O)/N=N/c1ccc([N+](=O)[O-])cc1	104316868	WVRDBMSLFMKSCT-FKMMPOEYSA-N	619.436	5.581	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1ccc(Cl)cc1	107765972	XLTLKRGHJSCHLQ-UVHMKAGCSA-N	562.804	5.761	50	40	KKGB	
CCOC(=O)COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Cc1sc(C(=O)OCC)c(C)c1C(=O)OCC	109715520	UFBSIMUTPRZLFJ-XSFVSMFZSA-N	563.628	5.224	50	40	KKGB	
O=C1[C@@H]([C@H](Br)[C@@]2(Br)C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1	150342744	KOMNALVZOLETHI-NFWIRQETSA-N	732.345	6.218	50	40	KKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc21	223478164	MMDWFNXOXKOIFP-RPPGKUMJSA-N	535.280	6.091	50	40	KKGB	
CCOC(=O)[C@@H]1[C@H]2OC(=O)[C@@H](C(=O)[C@H]2CN(CCCl)CCCl)[C@H]1[C@H]1CC=C(CC2=CC[C@@H]([C@@H]3[C@H](C(=O)OCC)[C@H]4OC(=O)[C@H]3C(=O)[C@@H]4CN(CCCl)CCCl)CC2)CC1	263613191	YZPKFJWODMRSRW-XHQKSMFLSA-N	904.753	5.461	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408544603	VFLLIHQHHXSBEB-IUXPMGMMSA-N	593.204	6.421	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1Cl	408599252	QWPRPQKNCYNEDI-KBKYJPHKSA-N	600.196	5.858	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccc(F)cc1	408606033	LBGTUNFEBQZRGK-GOSISDBHSA-N	542.405	5.062	50	40	KKGB	
O=C(NNc1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408608835	PXOSIUDWOVPXSH-INIZCTEOSA-N	504.801	5.722	50	40	KKGB	
CCCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	408636806	CRPJMGIWBJKECF-DENIHFKCSA-N	520.409	5.073	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638114	BWSYEHRHXSRKON-NFYRHNLVSA-N	738.493	7.678	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408642271	MPWNAQQVPQMDFL-HNNXBMFYSA-N	849.354	8.716	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408649548	LFCIPTNNLZFXQB-PTGATOOUSA-N	731.781	6.059	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408674327	ZDXSSUKDJPPMMV-HITKPJKISA-N	596.404	6.828	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408676877	NHJCFFUBFVJQFV-OCSSWDANSA-N	512.437	6.335	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1	408727661	FXHHRCCOHSKKTF-UXHLAJHPSA-N	563.035	5.716	50	40	KKGB	
O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1	408734643	BBUTVNFZWISXJO-IPPBACCNSA-N	563.474	5.123	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408749936	JZZJYFGENUTYJO-ZMGVVAQMSA-N	549.410	5.687	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc(C(C)(C)C)c1O	408758834	SEJFYPZJFVAEEM-OKCVXOCRSA-N	526.033	6.892	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1	408762116	CTPDZNBWKOGLPS-XMHGGMMESA-N	537.357	5.163	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1	408770907	CHNHKWHKKQYNMC-UUASQNMZSA-N	590.174	5.045	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)cc1	408780802	KZWMLJZQHCYUJM-ULJHMMPZSA-N	516.439	5.592	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c1C	408788695	MBOVLCYJDDYGON-YDZHTSKRSA-N	501.413	7.888	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2I)cc1	408791873	DOFLWGCFIDIGNK-VCHYOVAHSA-N	589.227	6.192	50	40	KKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408794116	RMMWAAILSNQQLG-XSFVSMFZSA-N	524.358	5.815	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408795580	MBYHDUCASVDZNE-YBFXNURJSA-N	618.709	7.166	50	40	KKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	408796175	DUGRAKDLDKQDNW-IREQLNLFSA-N	522.237	5.621	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1O	408818360	NXSZBJPQAWSJFA-UYOCIXKTSA-N	516.573	5.479	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	408820785	YQSGVECPKRPLAU-WBIBEUCMSA-N	771.824	8.658	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408835758	ZFFXHJPNMJUDLT-HZHRSRAPSA-N	618.871	7.714	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408838915	KBOGBBLJUYESRT-UHFFFAOYSA-N	619.349	7.512	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1	408839290	QEOMHCBFPVPVLT-FABQOPTDSA-N	598.080	7.107	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)OC	408840086	XMOMQQUIONGETK-XAZZYMPDSA-N	690.947	6.526	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1cccc([N+](=O)[O-])c1	408840107	BBVXPXUFSWNCFS-VFLNYLIXSA-N	542.543	5.914	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842037	HYYQIOZXTGYUAW-WKULSOCRSA-N	543.992	7.139	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408843505	LTMKZWWPCVXBGD-VTNSRFBWSA-N	562.409	6.237	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)c4ccc(Br)cc4)cc3)sc2c1	408849664	ZVWNZLDGYGYNFI-UHFFFAOYSA-N	542.842	5.953	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)cc1	408856168	JIHYRTVKUBSKHY-DBFSUHOCSA-N	653.698	7.195	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(I)cc1	408858427	SCIPOUYBKGEMLP-NVJOKUIPSA-N	731.122	6.756	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1	408862651	LDWSFQNYFKYASD-KKMKTNMSSA-N	531.421	5.750	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408874768	AKSSVASVRNXYCR-VVEOGCPPSA-N	643.387	5.877	50	40	KKGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(C)(=O)=O)cc1	408875043	IAGWFKRSDAGTIF-DXRBVMPTSA-N	624.941	5.004	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)cc2Cl)cc1	408887116	NZQWCYGNYYVSHR-MHWRWJLKSA-N	613.260	6.220	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	408889732	GLPWYTGLENOTLQ-QGOAFFKASA-N	566.238	7.674	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc(C(C)(C)C)c1O	408892563	CBVFLIVDBITTCD-HPNXWYHWSA-N	550.699	7.443	50	40	KKGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OC	408894545	JOAGKBKUYKWGJJ-NTUHNPAUSA-N	528.628	6.126	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408899819	QWYMJQJBGWISCD-RPPGKUMJSA-N	685.350	6.327	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OCc1ccc(F)cc1	408921768	BVVHFHZNUVAWIL-VCHYOVAHSA-N	576.793	6.525	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2-n2cccc2)cc1	408923434	IMERHEHIRGCPIQ-TWKHWXDSSA-N	509.587	5.471	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccccc1F	408925318	QZHDMCOLOURUAP-XODNFHPESA-N	558.429	5.950	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	408926724	XSNBCPMXWOLNGQ-XMHGGMMESA-N	537.424	6.768	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408942003	RCTZNTDKTMATHG-AJBULDERSA-N	549.693	5.056	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)c(OC)c1	408957708	VNKIKGQOTMCTTO-OQMZEJBMSA-N	669.106	5.186	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408968184	ZWUBIEBNELSXAF-AMVVHIIESA-N	534.355	7.144	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC	408971940	MLMVPDQICCRTJX-DQBQHLRUSA-N	651.385	6.198	50	40	KKGB	
C[C@@H]1CCCCN1c1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	408974535	BDEDXHDNAKUUCO-GCKHQMAOSA-N	508.579	5.025	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccccc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993746	FMBAOBGRHGNJRC-BCHBDCPOSA-N	602.110	7.262	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1	409015193	YWQBDCQNCBLBEL-RCHUHPAVSA-N	637.692	7.158	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	409028499	OBYNTWWQEXZUAJ-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409040132	XTIIIKOBRYRETB-QNVXDBMFSA-N	729.427	8.817	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1	409083757	VYJOATCHKVVBGD-LZYBPNLTSA-N	625.195	7.154	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cccc(Cl)c2)cc1	409138541	DLCHCZZJFLQXNU-KBVAKVRCSA-N	629.964	5.864	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccc(Cl)cc1	409141690	WJMSEEQRGMXQPQ-XICOUIIWSA-N	639.561	6.380	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409219111	JABAUEKDYGNKDK-UHFFFAOYSA-N	562.409	6.237	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1ccccc1	409228386	YFRAYZGOGUPXIR-HSGPEQJXSA-N	558.245	6.714	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccccc1F	409236735	HCYCRJHWAHARGS-MUXKCCDJSA-N	503.343	5.398	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409257961	VGTIODFOISNMFY-MUXKCCDJSA-N	591.833	5.433	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	409259346	YOEKWMPSNPICPR-SXGWCWSVSA-N	500.769	6.210	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409261192	AUULMGJSYGICEO-KFTQWTFOSA-N	516.812	5.729	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409262155	FOFDFHPRCYQUHI-MTJSOVHGSA-N	503.986	5.837	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409263351	KLWJUMZUBORZJZ-LDCYPDTQSA-N	519.395	5.374	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409267143	SPNYQTFDEBXGPV-MUXKCCDJSA-N	591.833	5.433	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3CC)NC(=O)[C@H]2C(=O)OC)cc1Cl	409312290	FLOVVAZHNVXQEY-PKTZIBPZSA-N	620.953	5.482	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)ccc1OCc1ccccc1	409325265	XJYNWCZNVPJDNP-MNBJERMJSA-N	545.433	6.380	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)cc2c1	409335531	JTDWJVIDVNFATR-FTCYSYDXSA-N	641.143	8.006	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1O	409368641	FXDUHTZLQVAYDS-LUOAPIJWSA-N	605.725	5.456	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc([N+](=O)[O-])cc1	409368802	NQDLIYAEWZEQGE-ZRGSRPPYSA-N	600.278	5.005	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccccc1Cl	409374535	SCRKJCCQYRBAPL-LICLKQGHSA-N	541.776	6.473	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	409377239	GWJUORXKZHWCPO-SFQUDFHCSA-N	540.801	5.674	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	409384644	DYVKNBONXILUCS-LGJNPRDNSA-N	524.396	6.223	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409385225	INWUVUPAVFGDIP-IPPBACCNSA-N	658.474	5.903	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cccc(F)c1	409389504	BQRGTAOXKWFMJJ-IUXPMGMMSA-N	524.160	7.380	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(OC)c(OCc4cccc5ccccc45)cc3Br)[nH]c2c1	409390255	CEGKNAXTCKQHPG-MTJSOVHGSA-N	540.417	7.139	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(OC)c3)c(-c3ccccc3)c2c1	409395761	RLRISIFRDVNKIK-UHFFFAOYSA-N	612.480	6.988	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c(-c3ccccc3)c2c1	409396613	ZJGWXLPHBOEUFJ-UHFFFAOYSA-N	637.284	6.945	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)[nH]c12	409397755	NSAZNQHKCOAVTA-UHFFFAOYSA-N	552.030	7.042	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	409400711	FEBXDDYNHNFZID-KMUKQRDJSA-N	624.650	6.534	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1	1529546354	FDKWDUYTKMWFLK-OOGQYTPFSA-N	672.001	5.567	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1F	1531386447	YTWDFPSKKGSHHC-KMUKQRDJSA-N	567.617	6.757	50	40	KKGB	
CC(C)c1cc(C(C)C)c([C@H](N[S@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)c(C(C)C)c1	1857795161	QFFCRNRZGCZTNL-GLAVYMFISA-N	597.849	8.956	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	844044	QOFSSFWRNSNIRV-LJAQVGFWSA-N	535.604	5.042	50	40	KKGB	
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1cccc2ccccc12	1858426	RXTCETYOCQIQOF-OGLMXYFKSA-N	508.563	5.238	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NCCCn1ccnc1	2396985	GEMXUXXEQCLENO-DIBXZPPDSA-N	528.616	5.428	50	40	KKGB	aggregator
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)NCc1ccccc1	9907437	KHCIHGYNILJKMU-VFCFBJKWSA-N	514.028	7.688	50	40	KKGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccccc2Cl)cc1	12251107	SGIBXMJYDAMCKV-QHCPKHFHSA-N	506.002	6.278	50	40	KKGB	
ClCCN(CCCl)c1ccc(C2N(Cc3ccc(Cl)c(Cl)c3)CCCN2Cc2ccc(Cl)c(Cl)c2)cc1	19325355	QFYYTOCQBLUKEW-UHFFFAOYSA-N	620.279	8.991	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	40486430	HCUPCPBZDWDIAW-RUZDIDTESA-N	506.071	6.339	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1ccc(F)cc1	55301001	NJLKFTBQADYQKR-QNKGDIEWSA-N	509.629	5.319	50	40	KKGB	
CCOc1ccc(/N=N/c2ccc3oc(=O)c(/C(C)=N/NC(=O)CC(=O)Nc4cccc(OC)c4)cc3c2)cc1	73280593	ZKILCDDOIQBBKU-SOWNPJSHSA-N	541.564	5.485	50	40	KKGB	
CCc1ccc2c(Cl)c(C(=O)N/N=C(\C)c3ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc3)sc2c1	97965746	PTMGYEBIRXAVJO-RRDBNTQTSA-N	567.914	7.043	50	40	KKGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	97968615	PSMLZDPREKKQEB-ZRGSRPPYSA-N	566.633	5.613	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	98010050	YXSLGGCIXOGEIO-YVLHZVERSA-N	515.780	6.558	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)cc1C	100125578	YJVDEQCLQSMDBE-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl	100226612	WSLXELDTGBUMGR-ODLFYWEKSA-N	560.775	6.895	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccc(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100835707	ACNJLVHNUAHNCP-GTWSWNCMSA-N	543.693	5.882	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(I)c1OCc1ccccc1C	102932995	MCGUELKUTUSLDM-UDWIEESQSA-N	606.382	7.142	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1Cl	103876752	NXFISVRODSAQRZ-KVSWJAHQSA-N	592.671	6.963	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	103889008	LGCQFKFTKJFSKR-MDWZMJQESA-N	529.161	5.717	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)c1	103889479	PGYUMGGSFDSADH-MFOYZWKCSA-N	550.667	7.842	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OCc1ccccc1	107950985	XDVFUPOXWKLCCA-UUYOSTAYSA-N	506.343	6.205	50	40	KKGB	
C[C@H](CCC(=O)N/N=C1/C(=O)Nc2ccc(Cl)cc21)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118917013	UKBJVLJEAXCAFE-NCSFXYGISA-N	570.174	5.519	50	40	KKGB	
O=C(OC[C@H]1O[C@@H](Br)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	150339465	WISFGQOOKBVKPD-CMPUJJQDSA-N	659.485	5.640	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342205	ZUJSWTRXCSEHPZ-UWTATZPHSA-N	842.037	10.293	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccc(I)c1	150374928	LUSKOMHYZNWADF-WKULSOCRSA-N	635.833	5.699	50	40	KKGB	
O=C(N/N=C/c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12	150386816	KROQSHALYUVBMU-XIDMSIAISA-N	664.718	6.678	50	40	KKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408537906	HXIWZMQUDNKJRK-RGXNXFOYSA-N	542.705	7.594	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCC(=O)Nc1ccccc1	408541027	AYEHGYQPRXYXGL-ODLFYWEKSA-N	564.392	5.109	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408542450	JNCMDVKKRGLIDH-IWIPYMOSSA-N	509.537	6.056	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	408555012	UXWTYWZKJNNBQF-RCCKNPSSSA-N	524.045	7.430	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccccc2F)c(I)c1	408570781	YMGWLBATZXJOLL-CCVNUDIWSA-N	608.498	6.017	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1	408637698	NBUPFXFZIAHOOC-SKCUWOTOSA-N	545.994	6.548	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408647230	UUUXVFZSTBGLNV-MHORFTMASA-N	662.118	5.064	50	40	KKGB	
N#Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(I)cc2)cc1	408711839	NDYJBOWUUNSAGX-MUFRIFMGSA-N	531.353	5.659	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC	408760918	AZCAVIMXHCWVAA-MUFRIFMGSA-N	533.507	6.240	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc(C(C)(C)C)c1O	408762459	KXMMKKMIBCBWBH-HPNXWYHWSA-N	536.716	7.802	50	40	KKGB	
COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)ccc1OCc1ccc(I)cc1	408768830	KALQIZAFNHMDLV-FLOXYNDOSA-N	575.410	5.087	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc(Br)cc1	408774222	BFKBOGNGSAMIHX-YNFMAFFXSA-N	600.229	6.972	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408790333	VSCWKUMCGVTSRJ-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408791217	XIUUYLNBMYQCFJ-ZTKZIYFRSA-N	512.075	5.682	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408792395	BFDDZRUHGCVKKK-UDWIEESQSA-N	569.839	6.412	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408793752	QEJRBYYKDYIMND-VCHYOVAHSA-N	615.234	6.031	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Br)cc2)cc1	408803338	NSEITQYMORBUEA-XSFVSMFZSA-N	507.384	5.981	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408810606	KCQWIKGEVQUWEZ-YVLHZVERSA-N	526.318	5.630	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)cc1	408813307	QOXNWIKURUZJHB-NHDPSOOVSA-N	664.281	6.015	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1C#N	408813327	NRDGAGVCQFDZMG-BIKKEBSBSA-N	589.095	7.719	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1Cl	408826301	GDHQGHHIPAIBOR-LGJNPRDNSA-N	526.829	5.001	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1cccc(C)c1	408829555	XFMYUJIYOBDNNE-WGOQTCKBSA-N	678.954	8.355	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408831432	PKPRYRMCANAJRM-DMWKKASYSA-N	684.385	6.382	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408838801	INWSKTCFADPJQL-XZYGTATASA-N	632.069	6.000	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(Br)cc1OCc1ccc(F)cc1	408843746	AAWUWHQTYIPASO-XODNFHPESA-N	580.248	5.858	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Cl)cn34)o2)cc1	408844588	VPIJUFNBBFESFF-DMWKKASYSA-N	644.968	6.659	50	40	KKGB	
COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408845188	PHXKNWARTXREQB-VVEOGCPPSA-N	752.372	6.387	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845190	PJMQKCFMERKLMN-ATZGPIRCSA-N	617.956	8.313	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1	408848442	UXHJMIGWWHMKJU-VYYCAZPPSA-N	508.372	5.543	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408859552	VBESDVRCLGXTIR-KVSWJAHQSA-N	616.137	7.652	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(C)c(C)c1	408870543	WKSLWLJLGJEPKO-CIAFOILYSA-N	570.402	6.571	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)c(OC)c1	408871458	YYPAWYZMGBUHGO-SSDVNMTOSA-N	551.437	5.586	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)o2)c([N+](=O)[O-])c1	408883777	UVVLJXHQFZNJJK-OCSSWDANSA-N	505.615	6.547	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(OC)c2)cc1	408887969	VPXMWYCPKGJGGL-DEDYPNTBSA-N	521.367	5.369	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408889372	FQMTVXPSJWISBQ-LFIBNONCSA-N	594.814	5.267	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1cccc(Cl)c1	408894714	KVFRDNABGVAADU-JEPNHJGPSA-N	565.154	7.701	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408897617	YZGWHLDCBPUFTE-LDADJPATSA-N	532.339	6.820	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408900680	XNVJOAPDZKAFAZ-XDHOZWIPSA-N	636.895	6.274	50	40	KKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c1C	408910950	MDSKIWWKMYSEFF-HZQMBONKSA-N	592.699	7.989	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C#N)cc2)c(OCC)c1	408944596	JBSGBNKNQCHCLL-SSEXGKCCSA-N	753.619	5.026	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccccc1Cl	408947946	DWQHSWRQGOCJON-XKZIYDEJSA-N	625.894	6.669	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl	408972380	SKXVNEZVTJSIPL-JRLKUCENSA-N	669.005	7.270	50	40	KKGB	
COc1cc(C=C(C#N)C#N)cc(I)c1OCCOc1ccc(C2CCCCC2)cc1	408974123	XMDYHDDFRSXFQE-UHFFFAOYSA-N	528.390	6.236	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408991156	NAFJKHPVTUCJIU-IYAOEYEUSA-N	594.631	5.592	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408996343	DDBZJYDNXDMCKE-FTCYSYDXSA-N	660.190	6.701	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409003669	UATBHVYJGXRKBR-LMUZBFEMSA-N	726.409	7.043	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1nc2ccccc2o1	409045192	FOWSUZJVLVCWLE-CXUHLZMHSA-N	544.630	7.649	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(Br)cc1	409052656	LLHWFKGXIYRMKB-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)c1	409053888	DHFOLIHABDBACA-LPYMAVHISA-N	576.288	7.798	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)Cc2ccc(Cl)cc2Cl)cc1	409068286	LDADLSRFIYHUIH-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccccc1	409081325	PNGPNQAELZVYPJ-RIYZIHGNSA-N	588.168	6.366	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Br)cc1	409126847	PLZXJUYAFXWGMF-DEOSSOPVSA-N	508.416	5.157	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(OC)c(OCc3ccccc3)cc2Br)C2=C1CC(C)(C)CC2=O	409137236	WAEOXICVUAMYJS-AREMUKBSSA-N	566.496	5.419	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1C#N	409191274	FYMOTYKBUZPFEZ-UVHMKAGCSA-N	545.764	5.168	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc2ccccc2c1	409203125	VGHHQCKQOKREFY-FJEPWZHXSA-N	616.908	6.928	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c2)cc1	409225210	LVXGSUQTYBOAGL-UHFFFAOYSA-N	546.377	5.586	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	409225513	QNBLAEIZJJIZDH-KALUYTGESA-N	527.147	6.192	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1	409256403	KXCGVGHJPGZFPU-ZGLHNQSKSA-N	526.420	5.474	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)cc1Cl	409266372	RACZIOQXNDHFTH-APSNUPSMSA-N	559.793	6.427	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OC	409320881	CUTIBSCRSLZDEW-AQLQTECXSA-N	576.864	6.310	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(Br)c1	409367758	FJAWQMCQFFOUPG-PPDIBHTLSA-N	634.177	5.860	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1	409370748	UACCHNDFTTWMNP-XZOQPEGZSA-N	711.568	5.006	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(Cl)cc1	409374004	WWALRLQAFFKJFK-FJEPWZHXSA-N	553.840	6.616	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC	409378055	MVNHLXURFUOXDT-XDHOZWIPSA-N	550.409	5.338	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl	409394818	GJCGVMHYMNAQLC-UHFFFAOYSA-N	763.213	8.501	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409394936	HSVFSPBHMHWHEE-UHFFFAOYSA-N	528.395	7.125	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCC(=O)OC(C)C)o2)cc1	409400375	CNSVMVOZPCEURM-ACXHZZMFSA-N	574.590	5.269	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409400597	PSVTUYSAKAZTPJ-AEVGBRMKSA-N	661.542	7.363	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(C(=O)O)cc1	409403357	MJRIHEAAYYWPPB-FRKGHFGRSA-N	721.004	8.122	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCC(=O)Nc3cccc(F)c3)o2)cc1	409405439	UBDQBZBITLAFAQ-AEUUOICLSA-N	625.613	6.095	50	40	KKGB	
Cc1ccc(COc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cccc2[N+](=O)[O-])cc1	409407182	YYISTDFJRNTSAW-FZKWRIDDSA-N	578.625	6.826	50	40	KKGB	
Cc1ccc(Sc2oc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Br)cc1	409407722	GYHPLPZWHHFRKV-KYHGBAKBSA-N	604.526	7.845	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc3ccccc23)c(OC)c1	1439564	NPZLPNXZZZYJSC-PGMHBOJBSA-N	506.514	5.400	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)nnc1-c1ccc(Cl)cc1	1836176	DACVYRWZBSGHQE-MUFRIFMGSA-N	536.057	5.448	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	2301520	IQRQLWXWCRKCSG-WOJGMQOQSA-N	529.368	5.506	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1cccc3ccccc13)=C(C#N)[C@@H]2c1ccc(Cl)cc1	2310449	CTHNJUALIHMHEU-MHZLTWQESA-N	528.077	6.930	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1	2705425	XUNMCVHLWSUYRJ-QXUDOOCXSA-N	563.727	6.944	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1c2ccccc2cc2ccccc12	2706424	INIPDBUCHCDYLR-HNSNBQBZSA-N	592.522	7.246	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl	28216888	BKCNUMMPCAUISL-OKCVXOCRSA-N	508.474	7.457	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1cc(Cl)ccc1Cl	28217178	HXZGSEQUQCAWMY-IBBHUPRXSA-N	520.485	7.354	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1Br	33921982	IYRFTBFWIPQFBG-VLRQGWLQSA-N	508.254	5.772	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	97962513	BMVZPJRRPJCAAY-IHELAITMSA-N	655.776	7.587	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1Cn1nc(C)c(Br)c1C	97965639	KGEBWCCLSBSSPZ-ZIBFIRQOSA-N	563.521	6.303	50	40	KKGB	
C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1	97980798	FZXDGHFIPNYYRE-NDZAJKAJSA-N	527.602	5.016	50	40	KKGB	
COC(=O)CSc1ncnc(Nc2ccc(C)cc2)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97982975	AWXAWYQFKBGULN-UHFFFAOYSA-N	550.644	5.413	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	100129791	WILWEPCIPYVIDT-HWIUFGAZSA-N	556.732	5.403	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c(O)c1	100852175	MNJQAMQGLLEKMI-UCMJSZAQSA-N	570.763	6.334	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	100956029	HAOMKSUSSHTLIU-KHMIOVBJSA-N	591.023	5.144	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccc(C)cc1	101562778	GVZYQNGBTFLLHK-AREMUKBSSA-N	588.527	6.526	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1	103902571	JEHPPDDBOFUBIM-QCFMCPCVSA-N	577.706	6.327	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1cc(Cl)ccc1O)/N=N/c1ccc([N+](=O)[O-])cc1	104315669	JEJHIQISUMSFHM-FKMMPOEYSA-N	558.986	5.771	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	107948699	LNOKBFOHYRACIG-MUFRIFMGSA-N	595.393	5.633	50	40	KKGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	112258069	URKUTIDTJCVYAP-QGOAFFKASA-N	523.593	5.777	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)CCC)CC[C@]4(C)[C@H]3CC[C@]12C	118918005	FRORSYDIKBYDEQ-VNDOOHGZSA-N	505.227	9.635	50	40	KKGB	
CC/C(=C(/CC)c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1)c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1	150381086	PHZLATABAGJPMW-XQQUEIPISA-N	784.652	10.282	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl	150385842	ZVQRHKUVHFOEEA-OHUYPAJKSA-N	662.437	6.547	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2ccccc2Cl)s1)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	150438376	GGBVFJRMICQFOA-JUEFXSDASA-N	625.990	7.759	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc2ccccc12	164635519	WUUHKUKMQOHXMO-JRZNSJKLSA-N	644.569	8.720	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1Br	408538362	LNSACSUUWMSWGK-MWLSYYOVSA-N	607.412	8.147	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2)ccc1OCc1ccccc1	408538657	BEGHRXOKJQXKIV-MNBJERMJSA-N	500.982	6.271	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552094	HFGQQMDWUVNMRL-OVCLIPMQSA-N	591.245	6.033	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(Br)cc1	408566671	AWUOFNLVRQNMTL-MFOYZWKCSA-N	526.793	7.160	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408611454	WIBAUZGFTKMXMC-KRWDZBQOSA-N	548.854	6.121	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408641568	KNNXZSVXZHRVBZ-MJCUULBUSA-N	690.172	5.408	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21	408659578	VYBYBLYVDUIJMA-SHYZFUQISA-N	568.284	6.082	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1	408673593	UAPWEZAYPGBSCV-TVFCKZIOSA-N	554.666	5.327	50	40	KKGB	
CCCCCCCOC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)OCCCCCCC)cc2)cc1	408719210	AIKKSCCPVMZRSO-UHFFFAOYSA-N	570.919	7.482	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cccc(O)c1	408730766	HSVXMPXBTYDVNA-RGXNXFOYSA-N	536.429	7.043	50	40	KKGB	
O=C(N/N=C(\COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Br)cc1)c1ccc(O)cc1	408734064	HGWUDMKSFQWRSL-XPXRSFDGSA-N	559.504	6.836	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408746841	WMXVRUSRWAFWJK-HMAPJEAMSA-N	590.417	6.586	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCc1ccccc1	408747781	SWUZLSFOZIVMGE-QRVIBDJDSA-N	576.288	7.167	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408748470	ASWCKZIWMCRBRC-OJYCWLPVSA-N	555.461	7.112	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408781429	SFMCCFYVWPMNJA-MWAVMZGNSA-N	537.682	5.045	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(I)cc1	408788213	JDRLNEUVNHCOCB-LZYBPNLTSA-N	705.117	7.336	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408790077	NEHDFFAOJDMMMS-YBFXNURJSA-N	604.284	7.066	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408792493	KGLNZWQIWMGWAP-CXUHLZMHSA-N	565.194	6.428	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408793322	DOQRJRYAZHJOPK-GIJQJNRQSA-N	653.154	7.820	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccccc1Cl	408793658	PVRPTQHVXLNGDU-UDWIEESQSA-N	569.839	6.412	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1cccc(C)c1	408793724	GISBLCMKSXFLDL-WPWMEQJKSA-N	553.058	7.751	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)OC	408807480	CKROIIRGPLNDSW-GATIEOLUSA-N	550.203	5.002	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408818043	ZBRZRDWPOUWDSE-KDHRXPGNSA-N	644.569	8.720	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCc2c(C)ccc3ccccc23)c1	408821515	IKZRXLOOTRKZBZ-TURZUDJPSA-N	589.091	8.514	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408825289	ICHOMQDRFXIOIR-NDZAJKAJSA-N	708.596	9.164	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408826467	GSAQJOPXRWEKJZ-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408834000	KTXOSPHFOQVGNI-IDWIKUEFSA-N	657.148	5.992	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(Cl)c(Cl)c1	408847120	ZQQYTWAJQVJYSM-IIHBXENTSA-N	609.457	7.493	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408852024	PUWMHPXHFMRNHW-LJUMEUDFSA-N	542.433	6.946	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408856624	CTQIVKBSWZOOKR-DPWJMMOYSA-N	683.330	6.279	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccc(Br)cc2)cc1	408857075	JKUPKJKMBCNSED-KBVAKVRCSA-N	597.510	5.650	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408860557	YDYNNOZNSVPNTA-MWAVMZGNSA-N	542.101	5.712	50	40	KKGB	
COc1cccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)c1	408864886	AVTXWZWABDATOQ-GBQBHJDMSA-N	606.476	5.424	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1	408870837	VUOONKAZSCJTLI-MZJWZYIUSA-N	546.805	5.681	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2OC)cc1	408881937	PDHPGZCXYKSAKN-LICLKQGHSA-N	588.785	5.727	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1c(Cl)cccc1Cl	408892159	BMZBZTXCPJODKZ-LFIBNONCSA-N	536.242	7.824	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc(Br)cc1	408963701	AIFPKJMSLUTXQD-KVSWJAHQSA-N	561.205	5.574	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(C)c1	408981816	CSUONPVNKHLTKI-JMIUGGIZSA-N	525.830	6.853	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1	408989930	JKXCUUYQLLFXMM-LDADJPATSA-N	506.971	5.833	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020658	RRNNTUOHMJJKSU-ZSNJKBEMSA-N	569.677	6.474	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	409026905	FSYZLEBGJOZISD-KCSSXMTESA-N	583.541	6.309	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OCc1ccccc1	409030758	HTAPDXVSGQNJNS-WPWMEQJKSA-N	528.390	5.352	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409070079	XJPPVURZIWIHGF-ZVHZXABRSA-N	535.471	7.862	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1	409070194	NJXHLVIHUCAATO-XNTDXEJSSA-N	596.684	6.178	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409092161	VXRJMFKCVQFMSB-RIYZIHGNSA-N	602.297	5.160	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1cccc(F)c1	409124563	BQEDXLXNDNOWFT-AREMUKBSSA-N	554.062	5.839	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Cl)cc1Cl	409139476	NVJVJFRNJHUEDO-JOCHJYFZSA-N	548.220	6.267	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2Cl)c(C)c1	409150264	AQUVVQCALQJZJO-XKJRVUDJSA-N	547.826	5.370	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Br)cc3)c(OCC)c2)cc1	409152657	FWGQPAYYUAVFCL-WCMJOSRZSA-N	721.346	5.124	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccccc1C(F)(F)F	409155750	MMFPVGARYSNUSK-KLPHOBTLSA-N	583.350	5.127	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1cc(Cl)cc(Cl)c1	409168194	LBCWPZJWFVLGJL-VYVUJPJFSA-N	633.113	6.169	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	409185855	RLKBMUGQVFITMT-BIZUNTBRSA-N	563.123	5.964	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1ccc(Br)cc1	409222986	FTLKYNPSRYJZAI-UHFFFAOYSA-N	676.520	6.109	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409261997	GTDHCZOTAVHNKC-MUXKCCDJSA-N	569.412	5.154	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1C	409273053	VAWYQMOPPXLSMK-KULFSUQXSA-N	644.584	8.259	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2F)ccc1OC	409314038	JVTYAZBEHLJQBK-QDTIIGTASA-N	580.248	6.101	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OCc1cccc2ccccc12	409368958	URWJKYIEYOTMLN-JLPGSUDCSA-N	531.393	7.486	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409371766	NSMSRFGDFHQDRI-JAIQZWGSSA-N	536.382	6.146	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)c1	409372982	RKQMEMRMJBEBDZ-PPOKSSTKSA-N	512.613	6.842	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1cccc(C(=O)O)c1	409373272	POTWBHALUGZYJX-WCMJOSRZSA-N	577.431	6.051	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409389952	BDVDWOUJQPXDAA-ZDLGFXPLSA-N	549.381	6.284	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(OC)c3)[nH]c12	409394580	CKRGHBCATVSDQW-UHFFFAOYSA-N	709.822	8.567	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)cc1OCC	409395356	MQJPVBHODBLQQQ-UHFFFAOYSA-N	721.004	8.049	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C(F)(F)F)cccc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409396911	CVQBPALONJEHJT-UHFFFAOYSA-N	645.590	6.779	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409396915	CXDXLFKCBMXOTG-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccco1	409397897	PGHXMOAORRFOOP-UHFFFAOYSA-N	551.908	7.083	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409398952	WYNPJOAPTLFCNZ-UHFFFAOYSA-N	517.585	6.525	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc([N+](=O)[O-])cc1	409401579	HOIUDOKXMHKLQH-UHFFFAOYSA-N	673.520	7.288	50	40	KKGB	
Cc1sc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)c(C#N)c1C	409409648	PQQZRILZONSVGG-DLCNMLRHSA-N	565.699	6.988	50	40	KKGB	
Cc1ccccc1NC(=O)CC(=O)NN[C@@H](Sc1ccccc1)c1cc(/N=N/c2ccc(Br)cc2)ccc1O	5855017	QZOIWWKNCPHBQV-DCNXOXCLSA-N	604.530	7.319	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1cccc(Br)c1)N2	6445717	AZOXWSMOEZJDSJ-FPVDIDMMSA-N	559.869	7.094	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C/c1cc(Cl)ccc1O)N/N=C/c1cc(Cl)ccc1O	16990612	BHAPPEFYHBANSQ-DPCVLPDWSA-N	507.418	5.126	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1	19949500	QTZLSPPZSPFBES-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(I)cc3)c2)cc1	20197886	VALVQDKWNORWLY-WGOQTCKBSA-N	514.363	5.423	50	40	KKGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1	20461315	XJEZACGRUBJZRO-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1cccc(OCc2ccccc2)c1	51075732	BANNFMYEVXLOBY-CAQPMQTCSA-N	541.076	6.559	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(Cl)c1Cl	59886484	YVEIOZYOVYFBQC-UVHMKAGCSA-N	540.856	5.142	50	40	KKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Br)[C@H](Br)c2ccccc2)cc1[C@H](Br)[C@H](Br)c1ccccc1	95100220	NTLCIZNKMMIJMN-CZYKHXBRSA-N	691.996	8.647	50	40	KKGB	
N#C/C(=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1	97962766	GKROWXFTRKGFJH-NTCAYCPXSA-N	521.758	5.448	50	40	KKGB	
COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2Br)cc(OC)c1OC	98001741	IUCQRKHKLFMINE-KLPHOBTLSA-N	728.188	5.099	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1	100066408	DYTYBNXTJKMXCO-STKMKYKTSA-N	552.103	7.196	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(C)cc2)cc1Br	100285947	OCZYVLORHCOCAM-KCSSXMTESA-N	623.573	5.828	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1	100852454	OPWJPIYDTSOTNF-NDZAJKAJSA-N	578.536	6.508	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c4ccccc4cc4ccccc34)nnc2-c2cccnc2)cc1	100853359	WWDOMKFQYNHVAM-QXUDOOCXSA-N	558.667	6.277	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccccc3)Nc3c(Cl)cc(Cl)cc3[C@@H]2[C@@H]1Cl	101076824	LGHJZYDFGCMCGW-YMNDLRCVSA-N	505.854	7.940	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@@H]1c1ccccc1Cl	101305210	WAZNYWQUBUULSI-VWLOTQADSA-N	548.039	6.247	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Oc3ccc(Cl)cc3)N=C3CCCC(O)=C32)cc(OC)c1OC	102581314	KMIGIBCHTTUHAE-XMMPIXPASA-N	541.025	5.974	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(OC)c3)=C(C#N)[C@H]2c2ccco2)cc1	102808177	KGJGYSDMXXYVNG-MHZLTWQESA-N	544.633	5.393	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1cc(Br)c(O)c(Br)c1	104093430	RICJVUAGCPTGGF-KSEXSDGBSA-N	509.069	6.260	50	40	KKGB	
Cc1ccc(/C=C\C(=N/NC(=O)N/N=C(/C=C/c2ccc(C)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1	104305948	YDXSFKJPBVDNEE-AGTBUCHOSA-N	624.918	8.065	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCc1ccccc1Cl	104401959	DAFJBHWGUMFJFF-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	150481252	KZYJUZIWUQNHDJ-HWLOXFRGSA-N	705.258	5.708	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	408539500	WQSPBBJFQROTQE-UCMJSZAQSA-N	621.601	8.438	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Br	408540089	MXIVDJYTZFDXLU-LDADJPATSA-N	520.265	7.025	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550652	GAFGTAFLWAIQOD-RQZCQDPDSA-N	591.245	7.144	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408551225	MNOVJVGYPMRCNT-OYKKKHCWSA-N	529.390	7.552	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCc1ccccc1Cl	408598944	LSRABJVSXHUMTI-NVMNQCDNSA-N	536.196	7.250	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccc(Cl)cc1	408661615	RBHSTMYDLAUZPT-LXNDPQCUSA-N	610.925	5.255	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1	408725901	QUNPUYMALLRCLC-AJBULDERSA-N	501.546	6.187	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(I)c1OC	408739920	GNXSSKRBVSHEMA-BRJLIKDPSA-N	537.785	5.133	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(Br)cc1	408743052	DHOVZBPHRSZLOX-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408745713	VAHMTGWYRSLSNA-HMAPJEAMSA-N	606.314	7.888	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(OC)c1	408752225	CIWBVBVWRGXNLA-XDHOZWIPSA-N	540.357	5.433	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(I)cc1	408758097	GOLYDQCQRDUMKW-WQRHYEAKSA-N	589.227	6.187	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1	408758715	PQUDEMYGOWPICS-CPNJWEJPSA-N	509.345	5.935	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12	408761324	DPLAWHPOTBIICL-UCQKPKSFSA-N	527.418	7.044	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408762482	BKVXTOVLHAILLH-QGOAFFKASA-N	509.345	5.935	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Br)cc1	408768094	BRWWRMJVVAGNQU-QOMWVZHYSA-N	542.477	6.012	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	408774127	ACNSYKVWDXWTHL-JBASAIQMSA-N	521.683	5.345	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc2ccccc2c1	408782799	JSCHBAJKWNKLQS-IMRQLAEWSA-N	582.498	6.446	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1C#N	408787615	CSLQPAJSLIRMRT-FSJBWODESA-N	530.422	6.461	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc2ccccc2c1	408793461	OYWBOZHDSDOOGA-SRZZPIQSSA-N	582.281	8.042	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408793529	FPKVMOOUQKLZMY-KEBDBYFISA-N	621.302	7.738	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC	408794430	JANZQXXSOUHXRN-OQLLNIDSSA-N	508.743	5.454	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408796512	YMKPGINLLULAHQ-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798572	VUFGBVLFCKWEJC-PCLIKHOPSA-N	538.987	6.742	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1C	408799348	YRAVOYHSZSTWIC-UFFVCSGVSA-N	612.265	6.667	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408820691	YDPUOINTWDWMQL-KYMQWJLESA-N	674.116	7.458	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(OC)cc1Cl	408821192	DKWXYPOUOXDJNU-FRKPEAEDSA-N	596.692	7.551	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408826966	DVRRMOJYBCNSCU-WKULSOCRSA-N	607.313	6.362	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408827377	JGYAMPGGPNIMMV-JEPNHJGPSA-N	620.171	6.589	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccccc1	408830779	OSCSYLZNRCNNFG-KOEQRZSOSA-N	569.455	7.161	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408831246	OZAGMPUGHMKEEN-HZHRSRAPSA-N	574.420	7.605	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408837939	AVNSHXYQZVFONC-RWPZCVJISA-N	507.015	6.378	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408837963	AZMWBAIJJQCAQC-XAZZYMPDSA-N	643.947	6.684	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408841962	HJXWCIZYVWIVTP-FDAWAROLSA-N	601.413	5.522	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1C#N	408844983	JHMLEAYZFXEANL-DBFSUHOCSA-N	583.236	6.181	50	40	KKGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408849337	XXIZNFMQRUDZMJ-WKULSOCRSA-N	521.429	6.636	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408851167	VVOCRDZYQRWBDK-PPDIBHTLSA-N	558.772	6.108	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)sc(C)c1C	408852415	KPGUTROBIUACIA-WQRHYEAKSA-N	516.450	6.802	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408866733	IFWDMKRPQLFJQT-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1	408870289	UGRNILDJOQIQIZ-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1Cc1cc(C)cc(C)c1	408872539	FYEYFIHNFYZOAP-RGVLZGJSSA-N	556.831	6.707	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1Cc1ccccc1F	408872955	PWKYPDIQYMVDIN-VCHYOVAHSA-N	513.794	6.777	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1ccc(C(=O)O)cc1	408880798	IPWKIPPRTRCMQR-SSDVNMTOSA-N	595.446	5.366	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2ccc(C)c(Cl)c2)cc1	408883603	QJSKLGGWYUHKEY-NLCQWKJPSA-N	633.170	5.559	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1	408889492	HIYHUQARRXIQRO-MHWRWJLKSA-N	528.348	6.043	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1	408906231	DDXROGDQGGGZEH-UHFFFAOYSA-N	501.958	5.381	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408923483	ISRNGFADCGBTEE-LICLKQGHSA-N	638.418	5.748	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(I)cc1/C=N\NC(=O)c1cc2ccccc2o1	408938138	HDWLQPOLBQYYCS-QDTIIGTASA-N	647.210	5.857	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N\NC(=O)c4ccc(Cl)cc4)(c4ccccc43)[C@@H]2C1=O	408947878	BNMAXIBNYFECHJ-XJMVVKOSSA-N	607.022	5.223	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)cc1	408948347	RFQKBRWBPDHKRJ-FZKWRIDDSA-N	585.933	8.040	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	408971953	MRZIRHXUYCIORO-FEGPCZTRSA-N	526.431	5.078	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1	408978276	HQLHBOZKSGDTJF-WJAYPVQZSA-N	586.486	6.048	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1F	408981571	BTEVUBGBMMRVLC-NVMNQCDNSA-N	576.793	6.525	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)o2)c1	408993310	VMCBVJHQZSFPJV-XMHGGMMESA-N	576.659	7.004	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCC(=O)Nc1ccccc1OC	409010301	BWEMNBLKZCSHBN-BIZUNTBRSA-N	540.620	5.283	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1cccc(Cl)c1Cl	409013233	MOLVUQJUQJPNJW-CCVNUDIWSA-N	559.302	5.684	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccccc3)cc2)cc1	409015370	MKQQRCDVYCRXPB-ZNUTUJNPSA-N	623.665	6.849	50	40	KKGB	
CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409020110	ZIBOJQLOZSRHFP-VVGVENEYSA-N	536.843	5.967	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409032352	CVKKYHMQIWQPPA-SAEPALGJSA-N	623.565	9.357	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409033015	KCRDJAZDRWLQKO-KCSSXMTESA-N	583.511	7.659	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(I)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409035269	PHGIFJNVSAIQGA-MWBNBJEGSA-N	734.335	7.326	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1	409048144	QMSNLYAUFAYSJC-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Br)cc1	409050863	BOCXLFSHKLYOBF-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1	409087528	UTUWJRVOPLALDU-NTEUORMPSA-N	529.272	7.109	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)ccc1OCc1ccccc1Cl	409118770	OBGMQNPNYCQHHU-KVSWJAHQSA-N	523.869	6.618	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1	409166113	CQBVCDSIBIJYBC-JJKQSNDFSA-N	668.410	5.042	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2)c1	409219543	NQMUBFIVUKXQIV-IYFGEXFPSA-N	534.528	5.230	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)c2)cc(OC)c1OC	409223643	JAFMNXSBIYXWCJ-UHFFFAOYSA-N	646.494	6.019	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409225548	PNLDUGJGCAOUOY-UHFFFAOYSA-N	621.433	6.536	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc(OC)c1OC	409228064	ZTIVNHAHIJXMPS-AFHMUOIESA-N	624.606	5.256	50	40	KKGB	
N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)NCCCc1ccccc1	409238032	JXXKBIAUDKVEGB-PLRJNAJWSA-N	525.446	6.837	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2I)c1	409248294	PICGIKZBKPWIQW-CSMVZQPBSA-N	522.386	5.963	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)n1	409251360	POTKEQLTUCRYLZ-UVHMKAGCSA-N	522.472	5.410	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409256528	LVLGKZFQIUCBHJ-CIAFOILYSA-N	505.958	6.345	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409266346	QVGQMDFOMZOKFH-GZOMZLSJSA-N	712.670	8.422	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)ccc1OCc1ccccc1	409309193	CTGOBEFLEGTTKT-CAQPMQTCSA-N	604.457	6.678	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409309488	ICINXAAEGXBKNN-SFTDATJTSA-N	568.866	5.155	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OC	409315294	IUGHONPBPATZFA-LJUMEUDFSA-N	554.043	5.626	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OCC	409317131	PBHFOYRUKHQIFP-LJUMEUDFSA-N	643.478	5.353	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OCC	409321822	VAULNAJQBHKYED-LJUMEUDFSA-N	646.478	5.919	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(I)cc1	409373196	SEWFLGZNZRAAMH-ZDLGFXPLSA-N	595.072	7.459	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Br)c2)c1	409381149	DDKKLRSWOLYWOK-LDADJPATSA-N	508.347	5.460	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(I)cc4)c(Br)c3)[nH]c2c1	409392367	PKAAQKVOSQMOLG-YVLHZVERSA-N	586.227	6.582	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(Br)cc1Br	409406082	VZVKBSCUTFNORD-OAZBTLTBSA-N	879.238	10.058	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	1529546176	DJVUQYNAIWCULB-MKEMXLLOSA-N	645.540	5.597	50	40	KKGB	
COc1ccc([C@@H](c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)N(C)[S@](=O)C(C)(C)C)cc1	1857795008	GHNPMEYVIRKQLF-SPOMPRSXSA-N	647.821	8.368	50	40	KKGB	
CCCCC[C@H](/C=C/C=C\CCCCCCCC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@H]2CC[C@@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1)OO	2061000798	GXHCTYFXBSGOGT-LESRITHYSA-N	681.099	13.221	50	40	KKGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(OCC)cc2)c1O	2266175	XTYXBSKOONMNRA-OCSSWDANSA-N	548.068	5.663	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nc4ccccc4c(=O)n3-c3ccccc3)ccc21	2327376	BJGHDNGCWSPPCL-BIZUNTBRSA-N	531.641	5.756	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1	2705833	WNODVDSVSGSSNQ-VULFUBBASA-N	539.480	5.113	50	40	KKGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1	3145927	AVPNOCHAQZCWOT-KVSWJAHQSA-N	582.234	5.278	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccc(C)cc1	6166456	KGVWEHCSAUOINB-PDMYURSASA-N	544.677	5.190	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1c(F)cccc1Cl	6166464	YMPMIMIWGPSZTD-DHFIIZIYSA-N	583.085	5.674	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	12250848	ANJWLPNJTYSNGO-HHHXNRCGSA-N	512.610	5.210	50	40	KKGB	
CCOC(=O)COc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	22827098	JBDPXLFFDUTEMO-BIZUNTBRSA-N	503.558	5.761	50	40	KKGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1C	27019849	ALRUBJLFWUFSBA-XYGWBWBKSA-N	504.011	6.238	50	40	KKGB	
CC/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(OC(F)F)cc1	33721054	JVTASVRUWICSNS-MEFGMAGPSA-N	507.946	5.286	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1	59647357	QNIRVSVDZDSFJV-UZWMFBFFSA-N	621.557	5.683	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1	97960475	OQVJZXGHQIRVPZ-LVBJXMSMSA-N	567.045	5.546	50	40	KKGB	
CCCOc1c(I)cc(I)cc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N	97962773	JQPSZIGMYLCZPV-OQLLNIDSSA-N	621.220	5.388	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(c3nc4ccccc4s3)=C(c3ccccc3)N2)c(C)c1	97984530	VIZIQASFQCTADW-HKBQPEDESA-N	619.215	8.929	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(OC(=O)c2ccco2)cc1	98001482	ZZJBOPMIDWPPPT-YSURURNPSA-N	601.045	5.315	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3)s1)C(N)=C(C#N)[C@]21C(=O)Nc2ccc(F)cc21	98007279	AWYXTIOBTGFHRV-NDEPHWFRSA-N	558.664	5.017	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(N)=C(C#N)[C@@H]2c1cc(CSc2nc3ccccc3s2)cs1	98008229	XLEXHAQFCROIEV-AREMUKBSSA-N	589.211	8.244	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	98048617	AEFWUAKGQMDAJY-VWLOTQADSA-N	553.471	6.601	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	100062334	VOKICYCSXCRYCC-VULFUBBASA-N	559.360	5.249	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1	100243760	SFZNYCCSYVMTLA-UZWMFBFFSA-N	562.091	6.207	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292932	FUXNXJVKJLZEIE-KBVAKVRCSA-N	569.058	5.241	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(Br)cc3)n2-c2ccccc2)cc1OC	100302732	UVUPZSLYRWJVRY-QRQIAZFYSA-N	566.481	5.347	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1C#N	100320711	CWVJHPCKWLAKFK-FXMZOFOKSA-N	604.870	5.413	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(C)cc1	100336431	XUYVLRHBJUIZSG-MTJSOVHGSA-N	538.385	6.041	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1	100398121	YRZREHURXVRRNP-FJEPWZHXSA-N	576.889	6.248	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)n2-c2ccc(C)cc2)cc1	100851934	ZSMJKRXAAHBVAD-UCMJSZAQSA-N	563.683	6.073	50	40	KKGB	
CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	100852200	YXURKDHWYADBDD-RUMWWMSVSA-N	555.704	6.098	50	40	KKGB	
CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1	100889008	FABLUJXXYUNLPW-QQXSKIMKSA-N	522.677	5.541	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2nccs2)N[C@@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl	102420157	KEUDYZPWVHJBIR-SVMVAKDDSA-N	585.054	5.402	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	104403214	WCCZHCRTSPFPED-RWPZCVJISA-N	531.834	6.243	50	40	KKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](Br)C(=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C	118923884	YNWYOSBEGUAVTN-PPYFSJTDSA-N	525.524	5.719	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795392	DCEHCDLESIVEJY-STQMWFEESA-N	972.209	13.092	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@@H]1P(=O)(c1ccccc1)c1ccccc1)[C@@H]1ON=C(c3ccc(Cl)cc3)[C@@H]21	169811321	TVEXPMZTLXPLLA-MOUXFGLMSA-N	648.079	7.474	50	40	KKGB	
CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C(=O)NC(=O)C[C@@H]3[C@@H](O)c3ccccc3)C[C@@H]2O[Si](C(C)C)(C(C)C)O1	195476948	LCVKRPARHSQQEA-XEGHRTBSSA-N	578.855	5.102	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1cccc(F)c1	408541889	IJQQEIZZAHEISK-OCKHKDLRSA-N	539.357	5.810	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccc(C(=O)O)cc1	408543694	SDMFNQZMPPYDJR-ODLFYWEKSA-N	513.185	6.553	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(I)cc1	408548701	LLKPCKBCGRJYQT-MYYYXRDXSA-N	531.393	7.486	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc([N+](=O)[O-])c1	408555407	XHCAEAVZNMYKRS-UDWIEESQSA-N	528.590	5.930	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408579895	LERVASCSUYVFCP-FRKPEAEDSA-N	536.242	7.699	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccc(C)cc1	408676416	INVMCBODKZDQON-UXHLAJHPSA-N	536.470	6.099	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408688989	XJAIRMHULBEGGC-TVFCKZIOSA-N	623.556	6.126	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(F)cc1	408710815	MORQEPPXWMAEPD-KBKYJPHKSA-N	540.614	6.347	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1ccccc1Cl	408725491	QCMINASMXYREOD-KXJVLWGQSA-N	505.840	5.967	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408726490	SFPCRQBGPFYHAD-XKZIYDEJSA-N	552.412	6.295	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1ccc(Cl)cc1Cl	408734642	BBIDAKMFXBDGNQ-PUHLOBNQSA-N	686.333	6.804	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)COc3cccc4cccnc34)c2-c2ccccc2)cc1	408741266	OXVHOCYLVBJMKW-HZQMBONKSA-N	594.671	7.065	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(OC)c1OCc1ccc(Br)cc1	408746021	WNXMWQVYDNXZPC-STZFKDTASA-N	582.292	7.073	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1cccc2ccccc12	408748430	DFJSTYSGCLIMMV-WKULSOCRSA-N	615.265	6.558	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1OC	408765478	PYRGJVTVWGOWLI-RIYZIHGNSA-N	539.167	5.173	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408774210	BCZCSWURAIQFNK-ZHZULCJRSA-N	520.505	6.643	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408775656	IULIGBZEIQYPGX-APSNUPSMSA-N	512.231	6.165	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408787372	YXMIHCDOCOKLRL-VFLNYLIXSA-N	527.927	5.152	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1cccc(F)c1	408790265	ONUQRRPQTBSUHR-PCLIKHOPSA-N	508.549	6.538	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1C#N	408798807	XCYFIFOQLFOTAX-WSDLNYQXSA-N	516.395	6.153	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(I)c1	408799182	YDQZTDXXNHOGRD-NYYWCZLTSA-N	517.548	5.267	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OC(C)C	408810653	MMTIANFZAQCLIV-FYJGNVAPSA-N	521.411	6.370	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1Cl	408820717	ZKBLGWCULWQDTB-FJEPWZHXSA-N	539.419	6.678	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)cc1	408824676	IWXLXCWORGAMJN-SEBMTOOBSA-N	749.709	6.083	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408834313	VRPFNGVRBSRWQK-VFCFBJKWSA-N	589.489	8.306	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408835055	VXYSAHXMFDPHTG-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCc1ccc(Br)cc1	408835744	XYBMXCPROQYLNR-GIJQJNRQSA-N	606.300	7.296	50	40	KKGB	
O=C(NCc1ccccc1)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408837117	YYSHGIMCFHIWAX-BJUCDSOZSA-N	633.941	5.397	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4OC(=O)c4sc5cc(C)ccc5c4Cl)cc3)sc2c1	408849399	YGWXSSGZPBCFAC-YSYOEVFLSA-N	672.615	9.275	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC(=O)OC	408855156	DYJYVMMUBIIMLF-ZXSNDDASSA-N	551.643	5.896	50	40	KKGB	
COc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)cc1Cl	408862068	WUCHURYKOHZDNC-UHFFFAOYSA-N	506.068	5.252	50	40	KKGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408862574	HKKXTXWUKFZVLO-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1OC(=O)c1ccccc1	408878382	AZXDTZKEUKOLFG-JFLMPSFJSA-N	511.372	5.148	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Br)c(OC)c2)cc1	408881549	LSFOWJMTSWGCIN-YBFXNURJSA-N	555.812	6.022	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1Br	408892220	XZEIOPMBSNPKTI-XDHOZWIPSA-N	603.254	6.577	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1	408893111	FLPYXIBVPZNXEH-WOJGMQOQSA-N	512.349	6.425	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccc(C)cc1	408893473	GJFFEQZALBTPCB-DEDYPNTBSA-N	524.358	5.733	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3cccc(I)c3)cc2I)c1	408921467	ADVDBIIPEFGSSC-RPPGKUMJSA-N	722.102	6.152	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2Br)cc1	408925868	UNRBLFDIWIDCHZ-SFQUDFHCSA-N	561.841	5.733	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(C(=O)OCC)cc1	408940421	CJEDTIQIKQARND-PMERELPUSA-N	739.645	5.098	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1	408949492	RBZFVILISKAIRU-YTTGMZPUSA-N	673.191	5.966	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Cl)cc1	408952666	WKFWMDNEYVJJFJ-WJOKGBTCSA-N	663.196	5.541	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1I	408965272	VEOKDZQSBIPGND-PNQUVVCRSA-N	675.186	6.129	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1	408972615	PRTWAYHCJKFOCM-KTOPISSASA-N	699.429	6.989	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408977093	CYNANEPGGKSFEN-BJNWWJADSA-N	566.614	5.584	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408985210	AFTXRKINICUYFL-CIAFOILYSA-N	541.862	7.817	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	409003894	VTQJVODSOUEODI-YFCJGIHKSA-N	723.610	5.142	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409004416	CRFCSRULUUXMFZ-ZVRULSTGSA-N	573.432	6.904	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1	409015950	PWPRBMWGTYSAMF-UUSSFHJUSA-N	631.513	5.938	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028047	IXYHREXNFLHMIB-BJFAZZHASA-N	557.628	5.003	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Cl)cc1	409041879	KMMOTOWRQOKOBT-WOJGMQOQSA-N	501.391	5.924	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409083365	ODVBDHJAQVSWCQ-LICLKQGHSA-N	566.910	5.680	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(F)cc1	409086680	WIEMUSFQDJBDAP-NTUHNPAUSA-N	629.158	7.616	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(F)cc2)cc1OC	409122397	XZAAWVKJNDFPMU-IBBHUPRXSA-N	606.459	5.755	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(Cl)c1	409132541	KACODWYHSPYHKK-HHHXNRCGSA-N	536.072	5.700	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C2=C1CC(C)(C)CC2=O	409136170	TZCDCTHIYKTNJG-XMMPIXPASA-N	754.363	5.766	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409140438	FGBCNCZMGPJBFH-GRJIBALVSA-N	547.902	6.629	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	409183322	AXYDIFQZJGKLLS-XJECJHNESA-N	721.457	7.006	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)S(=O)(=O)c1ccccc1	409184756	MWNXNYJWQAHAMI-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(I)cc4)c(I)c3)cc2c1	409185059	QZWDZVOTYYGUDL-DBFSUHOCSA-N	792.149	6.988	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1cccc(I)c1	409185268	VGYOGUNBVPHUIJ-RDRPBHBLSA-N	605.542	5.065	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409215538	ATDDNOJFBVWHLY-IPPBACCNSA-N	637.927	5.912	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409220354	XSTMIACNYAQCJS-UHFFFAOYSA-N	611.651	5.655	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1	409225549	QYCMLDFGCOTQEA-UHFFFAOYSA-N	511.965	5.884	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1ccccc1	409250256	WQVRUHBDHBTLPI-VBNMEBLOSA-N	577.249	6.961	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409260100	KRJLFEHXLWZPMA-MUXKCCDJSA-N	544.833	5.591	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409263408	JBORUPKHWUKWMI-ODLFYWEKSA-N	524.404	6.182	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)cc1Cl	409263885	NDORCCGMKUCLDE-JAIQZWGSSA-N	508.405	6.482	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1I)c1ccccc1I	409272599	QXLIQGKLQHNVNF-UHFFFAOYSA-N	708.384	8.200	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409273105	VKXQTCMXFBVZGO-WOJGMQOQSA-N	556.800	6.491	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1OCC	409314457	RJDHLFKJIWHVBS-MBTHVWNTSA-N	576.285	6.352	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409354969	BHXNSHWMLFRDJF-KVSWJAHQSA-N	537.241	5.906	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409363599	MNMFCOARYOWZCL-QDTIIGTASA-N	688.687	5.592	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409371770	NTHGXZPKRRJQOK-PXNMLYILSA-N	554.186	7.389	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccc(C)cc1	409373933	IUPQTFLINBSJRG-MTJSOVHGSA-N	502.412	6.984	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1	409394467	AUTAHKTUNUMVQS-UHFFFAOYSA-N	552.428	6.889	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccccc1	409395322	MGWIRARZZZFENF-UHFFFAOYSA-N	635.287	7.482	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1	409395362	MRUQJIKXRNBIPP-UHFFFAOYSA-N	647.323	7.352	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3ccc4c(c3)OCO4)o2)cc1	409402248	JKBZWHBOZDSUII-DLCNMLRHSA-N	608.607	6.246	50	40	KKGB	
Cc1cccc(COc2ccc(-n3c(C)cc(/C=N\NC(=O)c4ccc(COc5ccc(-n6c(C)ccc6C)cc5)o4)c3C)cc2)c1	409403926	ONMPRAFOAJGXAN-LMOHNTGSSA-N	626.757	8.325	50	40	KKGB	
COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409407278	ZGJMHJVVPQMCGZ-NUJZUDFISA-N	556.844	6.455	50	40	KKGB	
O=C(COc1ccc(Cl)cc1I)N/N=C/c1cccc(OC(=O)c2ccccc2Cl)c1	3038170	BEEGAOGYNXPGAZ-RPPGKUMJSA-N	569.182	5.346	50	40	KKGB	
CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	3170269	LSGTZYJFFLJLSV-BIZUNTBRSA-N	528.572	6.339	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Br)cc1OCc1ccc(Br)cc1	4047767	BIHHHGWNBLQOGS-WCMJOSRZSA-N	611.334	6.971	50	40	KKGB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C(/C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2)n1	6059091	UNHOSEUGJJGDSC-BWAHOGKJSA-N	564.696	6.661	50	40	KKGB	
CCOc1ccccc1/C=N/NC(=O)/C(=C\c1ccc(N(CC)CC)cc1)NC(=O)c1ccccc1Cl	8457123	FMMSCSFTROIMHR-DVIYFVMSSA-N	519.045	5.506	50	40	KKGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c1C	20243673	BOHISGAONPPSPS-RPPGKUMJSA-N	504.881	6.202	50	40	KKGB	
CN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Br)cc2)/C(=C/c2ccc(Br)cc2)C1	20528765	QQSDYDQAVZTFIJ-IGEMGIOYSA-N	513.233	5.302	50	40	KKGB	
COc1ccc(N2C(c3ccc(F)cc3)=CS/C2=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1	53386841	PEWHWGWCYRGQDB-PBBVDAKRSA-N	552.635	5.696	50	40	KKGB	
COc1ccccc1OCC(=O)N/N=C(\C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	58917113	CSQFZIJJCMKZLH-PPYQVYADSA-N	502.014	6.094	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	59222178	OPJCTGJSOGNOCH-ZCTHSVRISA-N	548.064	5.260	50	40	KKGB	
COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC	59646983	POXDLSYIJQQNLT-UHFFFAOYSA-N	543.730	5.984	50	40	KKGB	
FC(F)(F)C(c1nc(N[PH](c2ccccc2)(c2ccccc2)c2ccccc2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F	97940237	OMCUHWRSMSOENO-UHFFFAOYSA-N	794.421	8.774	50	40	KKGB	
N#Cc1ccc(-c2ccc(OCC(=O)N/N=C/c3sc(N4CCCCC4)nc3-c3cccs3)cc2)cc1	97980906	HZZZCLSGQGAUOS-UXHLAJHPSA-N	527.675	5.930	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1	98000127	HKRPTJADGANSGY-SANMLTNESA-N	565.120	6.425	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CCC2	98007252	MUAOBLWRNZMWDY-HXUWFJFHSA-N	538.102	5.491	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(Br)c1	100128260	KDFWXSRPPPDCJQ-STBIYBPSSA-N	610.490	5.110	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(C)cc2)cc1	100242923	QEXIXGPVXOSYPA-BIZUNTBRSA-N	623.573	5.909	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2cc(C)cc(C)c2)cc1OC	100304341	AFXJDBMSZZOCKQ-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1	100477824	AJFHTVWXGDXRSJ-GTWSWNCMSA-N	531.528	6.392	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(Br)cc1	100905324	IRDHESCSBGEWEV-MFKUBSTISA-N	543.537	6.379	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)c1cccc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1	102512533	SQLDJEWGBKYRDB-DXXVALNZSA-N	548.010	5.936	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(I)c1OCC	103453860	PIVJMIMCWLZEJF-ZROIWOOFSA-N	588.183	5.239	50	40	KKGB	
O=C(Nc1ccc(Cl)cc1)/C(NC(=O)c1ccccc1)=C(\Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	104407075	AQHZPYVNDFQGTM-MVJHLKBCSA-O	596.474	7.111	50	40	KKGB	
CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(OC)c2)N[C@@]1(O)c1ccccc1	106019128	GWCUINQNOSDHLP-HRHHFINDSA-N	578.090	5.167	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC(=O)CI)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C	119217869	MZAQLTZIAVJPPY-SSINARFUSA-N	554.597	8.064	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NNC(=O)c3ccc(COc4ccccc4-c4ccccc4)cc3)cc2)cc1	150415061	XELDHNGPVOGZIU-UHFFFAOYSA-N	665.768	5.996	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	164058966	CYUJWQDEGNUZSC-HASSKWOGSA-N	687.702	5.372	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@H]2C[C@@H]([C@@H]3C(c4ccccc4)=NO[C@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	250816757	PCPWWUPRFBJKIV-WCQBKGPNSA-N	613.634	6.821	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OCC)c2)ccc1OCc1ccccc1	408539634	IYDGFRBWQDHMHS-UUKRNIFRSA-N	739.663	8.756	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408567627	FVWRBLFLJVXMPB-PXNMLYILSA-N	523.318	6.024	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	408615307	OQMOCDLQULSLQZ-CCVNUDIWSA-N	500.382	5.232	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408649118	XNHQKPWAAOJIEA-CZYKHXBRSA-N	719.364	5.038	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408653920	QCNODTGJFTTWBY-UCEGJLSESA-N	533.839	5.262	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408677744	UNEHVQNPXACMQS-FMFFXOCNSA-N	528.052	6.835	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408725110	HCJQBAAFNRTZOK-GRSHGNNSSA-N	560.275	7.452	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1	408742510	ANVKLRIVLZIMFJ-LSCVHKIXSA-N	525.786	6.264	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	408743853	HRJGYWRTYYCUOT-UNOMPAQXSA-N	650.254	6.419	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)c1	408746409	SNLRGTLGAXFOHL-GRSHGNNSSA-N	507.930	5.780	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747515	PARMLEQZMLCTRD-LJUMEUDFSA-N	639.300	6.085	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1C	408758330	IYPCMXMBSRTJMA-ROPCREHHSA-N	631.405	7.348	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc2ccccc2c1	408762657	KSIPJULOXZYLMW-AFUMVMLFSA-N	612.321	8.643	50	40	KKGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1Br	408765472	PWMRJKSDXFRKRB-WDZFZDKYSA-N	561.999	5.370	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1	408788406	JXNRZKKMJWHBMQ-UDWIEESQSA-N	506.356	6.099	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1	408796630	BBUKVEBGABOFBH-WOJGMQOQSA-N	516.222	7.189	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1	408800456	MJYNFCUSPGWQGG-HYARGMPZSA-N	504.970	6.040	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2c(C)ccc3ccccc23)cc1Cl	408812726	XEJUUGZUDQTTLQ-LPYMAVHISA-N	545.864	7.997	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccccc1F	408817910	YSFKUTGXOWLVSU-YVLHZVERSA-N	516.285	5.694	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408827270	IKOMQPPDIYEEQA-FNTLCPBMSA-N	698.867	5.937	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2cc(C)cc(C)c2)cc1	408828980	NMKMLDXVIXBNGK-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408833272	SQDGWBWYHCDVNJ-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408833793	YPYJFPZQJXYOIN-KEIPNQJHSA-N	628.548	6.527	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(OC)cc1Cl	408835775	YBUBVPMQNDOHBP-RQZCQDPDSA-N	562.247	6.898	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408837450	FOUWYIGBOSQYBB-KULFSUQXSA-N	650.506	7.245	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1cccc(Cl)c1	408842716	ATIDQFIFTHVSQD-RQZCQDPDSA-N	515.766	6.375	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408844364	NSUMVQSLFMMHCV-KKMKTNMSSA-N	591.712	7.096	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408844813	PLPDAKJXQVEQAM-XJECJHNESA-N	596.543	8.627	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408846013	QHJZRKRHUNIRRI-ATZGPIRCSA-N	579.037	7.786	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408846043	QKGJDHRSFBBSNT-MHDJOFBISA-N	662.953	8.221	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408847767	UKUPIFLLXHDOPT-QNVXDBMFSA-N	741.845	8.324	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCc1ccccc1	408852804	ILEXSOYKCYWSIW-KQWNVCNZSA-N	580.493	6.201	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Cl)c2)cc1	408866170	GFNCPCUFPOCQFE-UDWIEESQSA-N	509.787	6.026	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1Cc1ccccc1F	408885147	XGGFHNSWEJPRBF-BUVRLJJBSA-N	618.446	7.154	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408887258	NGAFGYWOFBEKQL-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl	408890276	QSFJJUXFDZJQLO-XODNFHPESA-N	507.801	6.154	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(I)c1OCc1ccccc1Cl	408890654	XEKZQRDYSKFYHZ-CCVNUDIWSA-N	578.834	6.003	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408893669	GPFJMGMYBXBIOQ-GZTJUZNOSA-N	608.841	5.575	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1cc(C)cc(C)c1	408894345	HQPIMQOJWJMPRR-VUTHCHCSSA-N	532.640	7.406	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(OC)c1	408954953	NWQFHHLALMPXKQ-KVNFINCSSA-N	730.956	5.318	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)c(OC)c1	408958376	YFADMXYAQLLZAQ-PDQWDMBESA-N	720.404	6.064	50	40	KKGB	
CCOc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408964559	VDFQWMNADVMDQC-ZLJOWREDSA-N	558.462	5.046	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1cccc(C)c1	408968242	UXZDBDLDIIAKFF-IPPBACCNSA-N	510.363	5.510	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1cccc2ccccc12	408978011	GRARZBYPXMMPAW-XLEPSUNVSA-N	607.732	6.296	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cn(Cc3cccc(C)c3)c3ccccc23)c2ccccc2)cc1	408982530	YKWULLKYFCBQSE-LIYQASSCSA-N	564.711	5.866	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(I)cc1	408982565	HWJJKCPLYLNFIL-XDHOZWIPSA-N	558.803	6.386	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2nc(C)cc(COC)c2C#N)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007350	NZKOVMADOWUMRW-MDCVPAOJSA-N	665.791	5.821	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	409013396	KENQNUAYXHCMOT-DPOBKKJDSA-N	560.434	5.400	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	409029550	BLJXGARSNIFLPP-MUFRIFMGSA-N	549.494	7.177	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1cccc(Cl)c1	409031484	AUCPKRYZNKGJTE-KULFSUQXSA-N	652.003	9.256	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409039270	CDPAFTPBRJBFRW-LZYBPNLTSA-N	536.293	7.045	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)Cc2c(Cl)cccc2Cl)cc1	409061420	ZRDODMXLMNMZQE-DPNNOFEESA-N	596.536	6.222	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078443	HZHUZNJOCYMONG-DEDYPNTBSA-N	537.494	6.997	50	40	KKGB	
Cc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)c(Cl)nc2c1	409122407	YCCFURBFOILDGN-FJEPWZHXSA-N	555.487	5.812	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl	409141822	KHBHXGPUAXNMJW-MWBNBJEGSA-N	677.006	6.979	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)cc1	409163937	ABCOYEKXRHBGOU-KPGMTVGESA-N	645.938	5.705	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccc(Br)cc2)cc1	409183349	BBRYKCWFJMCDKY-ZCTHSVRISA-N	592.515	5.682	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	409186184	YGVLNQGMNBGKOK-FMFFXOCNSA-N	587.698	5.245	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccc(Br)cc1	409196294	YNDUAODMCGIPKE-WQRHYEAKSA-N	548.275	6.155	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409222377	CNTBWMPEPLHILO-UHFFFAOYSA-N	689.282	7.466	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1	409225654	NJZDMFBAFDLONT-UHFFFAOYSA-N	665.338	6.764	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1Cl)c1ccc(NC(=O)c2ccco2)cc1	409227434	YKSIMSDZEBXVJG-FDVSRXAVSA-N	522.344	5.822	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409227749	WEKSIUSZGRHBHA-BFECINFQSA-N	636.026	7.393	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)ccc1Br	409228354	XSZOIOGJYMGGLY-WQRHYEAKSA-N	502.334	6.730	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(C(=O)O)c1	409229956	BBFXLRCDILDMQB-NVMNQCDNSA-N	622.337	6.141	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccccc1	409244679	HEDSOIIXKPHKHE-CTPANLQCSA-N	540.255	6.575	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)cc1	409252616	UFRQGQLXJHRMPP-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1C	409258185	RVIRJJFLTFVRTG-MTJSOVHGSA-N	503.986	5.837	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OCC	409331148	FDTLDGCOPKALPH-MUXKCCDJSA-N	532.380	6.042	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OC	409335050	NVIVWUVJOQZAQH-BVMLUPFRSA-N	563.865	6.962	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)cc1	409362470	GJIAFSISHBIMIU-ATVHPVEESA-N	524.346	5.160	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1OC	409366636	XKIAHQPAZBBKAS-VYYCAZPPSA-N	517.807	5.392	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1cccc2ccccc12	409373187	OGEYPFTZYIRHTL-ALQBTCKLSA-N	630.482	7.348	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccccc1	409387016	SMBKCQWQGMKQQN-MZJWZYIUSA-N	554.422	6.314	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)C(c1ccccc1)c1ccccc1	409393246	WKWAMQWLALDUGT-JVWAILMASA-N	504.340	5.900	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396431	QBDMDOBZUSHCJT-UHFFFAOYSA-N	656.091	6.813	50	40	KKGB	
CC(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409404584	QHZVSCXFYKKXLR-FDVSRXAVSA-N	505.958	5.609	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1F)C(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2	707316	VEXRMVVIVASRQY-QFIPXVFZSA-N	510.363	5.258	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	934979	AMJOZWZOEILCKM-UZEPBSNMSA-N	502.039	5.434	50	40	KKGB	
Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)c1	1790142	LVVZQPWDVRCRGJ-YMGIJWJESA-N	536.426	5.962	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1	1790540	QEQZIHKIKLKMNJ-JSIHEXFSSA-N	538.854	6.167	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])nc3sc4c(c3c2=O)CCCC4)cc1	1821919	QYPKVWVGXVGBLZ-RROBONFYSA-N	559.673	5.450	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1Br	1873501	LMNNSGKJFMYYAA-CCVNUDIWSA-N	583.533	5.340	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2332227	SFXGLYIVEPDNAI-HNSNBQBZSA-N	549.700	6.641	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C2CCCC3=O)sc2c1CCCCC2	3669392	IICYZOQDUQHQCK-HSZRJFAPSA-N	522.070	6.152	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136361	WSVGRSLQYIDBPC-FPURJNOBSA-N	580.877	7.857	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	8398205	YEKXQPXUTZPREG-GXBUFBABSA-N	629.094	6.976	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@H](c3ccc(Br)cc3)Nc3c(Cl)cc(Cl)cc3[C@@H]2[C@@H]1Cl	8425363	CQXFVUIYAGMTLY-VZQSUIEHSA-N	584.750	8.703	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)c1ccc(N2CCOCC2)cc1	33661353	JSLKABHCHGOXPD-IBTHDSTKSA-N	526.640	6.559	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(C)cc1	59474998	LSVGSKCWTIRCDH-UUYOSTAYSA-N	505.412	6.508	50	40	KKGB	
O=C(N/N=C\c1cccn1-c1ccc(Br)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	59678180	CMBQPZYSSLQGHF-YKQZZPSBSA-N	517.471	6.863	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1	59885409	SJLKQJDEUMMAGI-WKULSOCRSA-N	567.882	5.206	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3c(Br)cc(Br)cc3Br)o2)cc1Cl	97961031	INTRZZKERQFWAV-YCPBAFNGSA-N	605.508	6.725	50	40	KKGB	
COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC	97966521	DMKXETZSLMTCCR-NBVRZTHBSA-N	610.917	7.459	50	40	KKGB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C/c3cc(C)n(-c4ccccc4F)c3C)c2C)c1	97984739	FIWSRMRDISVRHR-DHRITJCHSA-N	553.590	6.004	50	40	KKGB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C/c3ccc(-c4ccc(Br)cc4)o3)c2C)c1	97984839	SZXGJDPMJWCTRL-PXLXIMEGSA-N	587.426	6.480	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	98048602	QJZCJBVVDXACHT-DEOSSOPVSA-N	607.441	7.312	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	100227977	HLOYBMWXGSBXFY-ALQBTCKLSA-N	610.107	6.111	50	40	KKGB	
FC(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100432924	LASSFECWGDYERA-REOHCLBHSA-N	541.995	6.481	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1	100853204	DDQRDCLUZWQDCQ-AJBULDERSA-N	543.693	5.882	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)c1nc2ccccc2[nH]1	101037083	UIUTXODLGRPCIW-ULJHMMPZSA-N	528.015	7.712	50	40	KKGB	
CCCCCCCOC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	101136904	QBPLFEYVFBVKKU-MKXGPGLRSA-N	529.269	5.240	50	40	KKGB	
N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)NCc1ccccc1	101720582	XUPBIAUSZWCOQZ-RRAHZORUSA-N	558.479	7.797	50	40	KKGB	
O=C(N/N=C1\C=C/C(=N\NC(=O)c2ccc(Br)cc2)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1)c1ccc(Br)cc1	102412115	PRHVNJNFBWPFSK-ATKKXJEASA-N	568.269	5.092	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(C)c2)NC(C)=C1C(=O)Nc1ccccc1	102719352	ZNUPCAKCSFSPHT-GDLZYMKVSA-N	538.673	6.100	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)NC(=O)C[C@H]1c1cccc2ccccc12	102808624	YWKVKVXACBNDQJ-DEOSSOPVSA-N	552.055	6.435	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)cc1Cl	103886474	HKBSYSTVYRHTQU-CHHVJCJISA-N	545.204	5.571	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2cc(Cl)cc(Cl)c2)cc1	103895366	VJNJCNNZVHECRG-ATZGPIRCSA-N	616.954	6.880	50	40	KKGB	
Clc1ccc2c(c1)[C@H]([PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(Cl)cc(Cl)c1-2	104127419	GTRAGSZAWCCGNU-HKBQPEDESA-N	531.850	8.443	50	40	KKGB	
Cc1cc(N(CCI)CCI)ccc1/N=N\c1ccccc1C(=O)O	104184774	QFQHSEVSDPSZRN-DQRAZIAOSA-N	563.177	5.785	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CN5CCc6ccccc6C5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699885	RWVOFPDVMDKMQE-UKXRJWRBSA-N	610.758	7.012	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4OC(=O)c4ccccc4)[C@@H]3C[C@@H](Br)[C@@]2(O)C1	169795111	TZBBEXALLZOART-IKAQRBNNSA-N	533.503	5.675	50	40	KKGB	
CCCCC/C=C\C/C=C/CCCCCCCC(=O)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC	299888238	BDTYMGCNULYACO-KCOASDAESA-N	542.889	11.683	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	408539209	FTPOAJXPMPXINF-OHUYPAJKSA-N	593.905	7.423	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)ccc1OCc1ccccc1	408539331	VMPUONVRGKPWDD-OYKKKHCWSA-N	696.823	8.967	50	40	KKGB	
CC[C@H](C)Oc1c(Br)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC	408567524	FLZFSUDUGGIJGA-SQAVSUBZSA-N	539.517	5.643	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408579925	LMUKQAUHWOXIOK-CXUHLZMHSA-N	636.196	7.125	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCc1ccc(Cl)cc1	408582432	OCNOTPQYHXSCJG-UDWIEESQSA-N	545.804	6.995	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)cc1	408601816	BVPLFPNJEWRWGY-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)O[C@H](C(=O)c3ccccc3)[C@@H](Br)c3cccc([N+](=O)[O-])c3)c2)c1	408671780	LEJFTVJDDDNHQZ-XCZPVHLTSA-N	587.426	6.700	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)c2-c2ccccc2)cc1	408740719	DQPINYHQOPHHKG-QUPMIFSKSA-N	523.636	8.064	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccccc1	408744654	ZDMSNGMGYDSJAJ-BKUYFWCQSA-N	656.261	7.174	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408747082	ZFICJUNUIYWGOL-YVLHZVERSA-N	542.773	6.144	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OC	408760102	ROYQGKFWNGZJMZ-MUFRIFMGSA-N	533.507	6.240	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1cccc2ccccc12	408765144	KJDQNVCSCDXPIB-BBUXEPKYSA-N	645.638	8.573	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1	408766400	PZMVXHKFSNJMOM-BUSZIJHZSA-N	572.525	5.180	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	408787336	YBPBAZLLRDYNTF-JMIUGGIZSA-N	622.244	6.060	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408787532	BJLHUWXLTOKJNR-QGMBQPNBSA-N	603.800	6.295	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408790782	YOZYREAQLVZHAL-KEBDBYFISA-N	574.302	7.896	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1cccc(C)c1	408796335	XWOHQRIXDSHJFV-FYJGNVAPSA-N	521.411	6.290	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1	408803513	PWWCZHFHFWVABE-UDWIEESQSA-N	511.405	6.915	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1c(C)ccc2ccccc12	408804095	VRURKDIDLKJTNM-MFKUBSTISA-N	569.499	8.051	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1	408826403	DGHOOUARRNJRCS-HNSNBQBZSA-N	652.567	6.054	50	40	KKGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408831790	SBUTWLLUWUBYCM-KCSSXMTESA-N	611.507	5.357	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2cc(Cl)cc(Cl)c2)cc1	408837331	CNGLTEYOCMDXIV-ZSNJKBEMSA-N	632.569	7.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408839795	WKALMTMGJGVUGP-HNSNBQBZSA-N	556.018	6.283	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C(=O)O)cc1	408843822	AGMWJWUCSUOKPV-FDVSRXAVSA-N	533.378	5.965	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1	408850142	GRZGNNPSWQIATQ-WBIBEUCMSA-N	572.467	8.242	50	40	KKGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c1	408851305	XNCAHQISPLHKTH-APTWKGOFSA-N	538.003	6.917	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408852607	LUOFJIBQDCSIST-OJYCWLPVSA-N	595.055	7.366	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1	408855187	DEPGVSXFFPJRMZ-UHFFFAOYSA-N	532.984	5.315	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc2c(c1)OCO2	408858842	TZFFNYUIIGADDE-FXMZOFOKSA-N	649.235	5.880	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2cccc(Cl)c2C)cc1	408865987	FQKBUHASPTXNTE-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1Cl	408871903	ZFOBHXPTHKQEPL-KVSWJAHQSA-N	568.320	6.727	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	408872442	NJSXBFVFFCPVQI-KOEQRZSOSA-N	513.424	7.709	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1Cc1ccccc1Br	408877966	ZCRIIXDYXWIIEV-VXLYETTFSA-N	635.727	7.551	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	408886994	KSDPDHTYQOKAFM-RVDKCFQWSA-N	597.421	7.623	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1	408891986	WUGUXXFIXDWIKQ-LFVJCYFKSA-N	512.968	7.183	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Br	408899848	RCESKBULTKHTBA-VCHYOVAHSA-N	601.251	6.643	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)ccc1Br	408904780	ONEJKZDXCVRCST-PPDIBHTLSA-N	533.785	5.723	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OCC)c1	408905976	GTEJOBXJVSOAPN-XDRVCWSLSA-N	524.017	5.125	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1	408925299	QYBFLWIVRFEVGB-ZTKZIYFRSA-N	631.648	7.945	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c(OC)c1	408926530	YJINBDMOIVPWGH-ZKHCCSIISA-N	644.128	5.380	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)cc1	408939861	INWKHSOIDMPPBZ-IDWIKUEFSA-N	621.535	7.305	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409003043	QVZQCVISHYXKPJ-CHWQPNJWSA-N	715.464	6.668	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	409010228	BLEVSCLDAVPJKL-DHXCSHTJSA-N	588.491	5.804	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccccc1	409032393	IWONPZLLTOBOMJ-HNSNBQBZSA-N	566.455	7.016	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c(Cl)c1	409054600	TZZIKTGTVDDVKC-LUOAPIJWSA-N	554.641	6.655	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OCc1ccc(Cl)cc1	409054866	GXZLRNIIQCXTPC-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	409069310	CLZCNPPJAYNGCK-XQNSMLJCSA-N	502.592	5.354	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)CNc2ccc(C)c(C)c2)c(OCc2ccc(I)cc2)c1	409075186	XDZIMUZOHPLATG-LJUMEUDFSA-N	584.502	5.895	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)cc1Br	409082260	IQOCSAKSUNMICI-YVLHZVERSA-N	562.247	6.898	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409118204	PEKCNVOCBDRRTM-VTNSRFBWSA-N	627.992	6.472	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1cccc(Cl)c1	409130297	HFMLADRYBGSMHF-AREMUKBSSA-N	614.968	6.463	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409132225	ZQCSIMBGOOGNRR-QHCPKHFHSA-N	577.306	6.464	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OCc1ccccc1Cl	409159944	CQFYWRBJXUMFEI-RPPGKUMJSA-N	548.777	5.458	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	409179320	QOJZKGNTQZRWDY-JIBVGFDLSA-N	731.388	5.819	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	409225543	QXERQGLJJPFXOL-FZPRHHONSA-N	633.013	5.509	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)ccc1OCc1ccccc1	409254035	HKLCQMAXXUXNSS-WBIBEUCMSA-N	707.565	6.676	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1C	409260387	PQEPZMDVIWPMMJ-NVMNQCDNSA-N	528.823	6.827	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	409266289	QGXYEFURMNLIOW-XJECJHNESA-N	675.008	8.059	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409272041	XZKCBUHSITVWRD-ZDLGFXPLSA-N	520.929	5.128	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	409309551	IXSPRRWRHGSEJG-BVMLUPFRSA-N	665.912	5.840	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1OCC	409325923	CZPXKUNIYRRCFC-UHBFCERESA-N	531.487	6.357	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC	409330585	BFEKBOJOHNUVQJ-MBTHVWNTSA-N	572.412	5.506	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCc1cccc2ccccc12	409354233	ASJVXJOOVSDECA-UCQKPKSFSA-N	565.838	8.140	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Cl)cc1Cl	409371874	LPXVCWUSTVWIHM-FXMZOFOKSA-N	624.171	6.404	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	409383972	SAMKSNODKSVZEY-KVSWJAHQSA-N	568.251	6.125	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccccc1Cl	409387413	WNYBTMGDECGWIM-XODNFHPESA-N	588.867	6.967	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)cc1	409395869	SQBHSLMVDXGTNZ-UHFFFAOYSA-N	741.820	8.022	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(OC)c4c3-c3ccccc3)cc2OC)cc1	409399142	XYYVUJPVOQEBQZ-UHFFFAOYSA-N	579.609	5.852	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4ccc(Br)cc4)c4ccccc34)o2)cc1	409400802	FNGQZEGJYVQDRZ-WBIBEUCMSA-N	621.535	7.796	50	40	KKGB	
CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409403197	MDCZVKFUQRQTSP-MNDYBZJGSA-N	526.420	6.736	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc(Cl)cc3Cl)o2)cc1	409409354	NYUCUZOASRGVHY-RODHXAHZSA-N	636.919	8.209	50	40	KKGB	
OCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	642882943	WWMIWLLNIDASKR-ZCFIWIBFSA-N	596.112	6.717	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(Br)c1	1529548443	GKMQFOAERILADU-ZXFVVSEZSA-N	788.515	5.852	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)Nc1ccc(F)cc1	1097092	CICUFXQEORBJKT-XODNFHPESA-N	540.345	5.124	50	40	KKGB	
COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1Cl	2309779	UDHBEMMWYHNWMS-WOJBJXKFSA-N	504.395	5.252	50	40	KKGB	
O=C(CCN1c2ccccc2Sc2ccccc21)NNC(=S)Nc1ccc(SC(F)F)cc1	3398928	PWVWBTSOWXUEMT-UHFFFAOYSA-N	502.637	6.012	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	4624177	SPAZGYDSBOFKIF-HHHXNRCGSA-N	528.634	5.693	50	40	KKGB	
Br[C@@H](/C=N\Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@H](Br)c1ccccc1	5809006	JRXLDARVHCBKOA-AGPBDDJPSA-N	537.259	6.503	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1C	5948541	VTHZXHOEZPUQDG-UXHLAJHPSA-N	532.438	6.290	50	40	KKGB	
C[C@]12CC[C@H]3[C@H](CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2CI	8382435	VJCWEUYDXCVIJK-VGNRAECFSA-N	500.505	6.992	50	40	KKGB	biogenic,in-vitro
CC(C)(C)c1ccc(S(=O)(=O)N2C(C)(C)CC(=NNC(=O)c3cccc([N+](=O)[O-])c3)CC2(C)C)cc1	8426913	SCXLJGWUWPEKCV-UHFFFAOYSA-N	514.648	5.020	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1Cl	8452614	JDWGCXSRZAOTIW-MPRHAZATSA-N	709.246	5.732	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1	8843049	DFUQOPPNIVMPTJ-VULFUBBASA-N	507.395	5.232	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1	20060765	ISYBSVVUGNKLBA-QUPMIFSKSA-N	507.656	5.059	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	20232624	PDYZCPUJLRCJKC-JJKYIXSRSA-N	505.684	5.743	50	40	KKGB	
Cc1cc(/C=C(C#N)\C(O)=N\c2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1cccc(C(F)(F)F)c1	35362659	FOBAUQWSZLJZHA-SXGWCWSVSA-N	511.853	7.980	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	59855900	WXCSRUNYLXJLIM-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccc2c(c1)Nc1ccccc1S2	96399202	MIXNQMQWEZOJOK-ZXSNDDASSA-N	521.686	7.925	50	40	KKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCCN4CCOCC4)c(OC)c3)c3ccccc3n2)cc1	97965583	AEAAEFBOPVXNDJ-IZHCQNPVSA-N	566.702	5.899	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	98048682	GCQUKQAJAFVRMV-LJAQVGFWSA-N	538.673	5.964	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125383	OQWQJXVNNXEUMN-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc2)cc1	100350470	WGZSDQBIAUBRNH-UXHLAJHPSA-N	595.519	5.211	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1I	102933349	HGZIQECCIYXFAF-NTUHNPAUSA-N	603.154	5.057	50	40	KKGB	
ClC(Cl)(Cl)C1=NC(C(Cl)(Cl)Cl)=NP(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)=N1	169671482	LCBWIPRIYMVVIF-UHFFFAOYSA-N	886.355	11.839	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)ccc1OCc1ccccc1	408537626	GLUATDNHHBELBO-JFLMPSFJSA-N	690.432	8.931	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408541395	GDYMHTMNDKWIPN-XKZIYDEJSA-N	527.374	6.425	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(C(=O)OCC)c1C	408546989	QAPQGGZZEKJEGU-RGVLZGJSSA-N	616.519	7.023	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408551741	FTHHWYQZEZJXPO-GIJQJNRQSA-N	586.928	7.982	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1	408580035	MQAREUSBJCIWGU-LFIBNONCSA-N	508.810	6.877	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408642241	DTFDHUWNXUZPFW-LGJOHJSGSA-N	794.236	6.139	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)cc1	408648264	JWMJYJXGMSGANU-CRSFMYOCSA-N	763.266	6.539	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)Cn1cnc2ccccc21	408691803	QWKOYXRFXAWFPA-NVMNQCDNSA-N	662.225	6.340	50	40	KKGB	
COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3cccc(C)c3)n2)cc1	408727857	YDSAVLZXHADYFR-QNKGDIEWSA-N	514.585	6.065	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1ccccc1	408740668	DBEXVIOSQNSJFM-IUXPMGMMSA-N	511.759	5.956	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1ccc(Cl)cc1	408744645	GHOVUQHNNYQTPD-AQTBWJFISA-N	514.750	6.069	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(Br)cc1	408745928	AYSMIFVABDSKIS-BOPFTXTBSA-N	593.646	6.832	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)ccc1I	408747356	MUHKUJMOYDMPGE-MUFRIFMGSA-N	566.395	5.805	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1cccc(F)c1	408761488	GALSVEJBGZAYAW-MFOYZWKCSA-N	560.217	6.484	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1	408763904	PYARXMACXZXLJA-GZTJUZNOSA-N	606.292	5.842	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(I)cc1	408779089	QVWQJYZIUSDSNY-PDGQHHTCSA-N	507.331	5.819	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(I)cc1	408790299	OSFDOECRDGMNAV-UDWIEESQSA-N	617.281	6.886	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)c1C	408791625	ZTYIBQMYHNANFM-VXLYETTFSA-N	621.700	7.449	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408794575	JRCJKGKEWFLDRL-GIJQJNRQSA-N	567.352	5.789	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408815567	HYWVRYQLEGTQOP-GXBUFBABSA-N	609.480	7.466	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	408830807	PXEYSSOKXMJGBX-WPWMEQJKSA-N	653.960	8.968	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)cc1	408838382	DYNAKAOLMFUMEX-PTEHHBOZSA-N	740.861	8.773	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccc(Br)cc5)o4)cc3)cs2)cc1	408839151	NWNRVVYUPNXJLD-OKCVXOCRSA-N	557.473	7.649	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1	408846799	KZKPRZXITVIDMU-IPHFVPNQSA-N	594.509	7.567	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408852450	KYJSZEDVTVKJMH-ULJHMMPZSA-N	560.075	6.487	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCc1cccc2ccccc12	408879145	FQTXDDVASCXJKH-PXLXIMEGSA-N	513.391	6.736	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c2cccc(Cl)c2C)cc1	408879319	DFFPLMFDECUROL-RWPZCVJISA-N	577.932	5.131	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N\NC(=O)c5ccc(Cl)cc5Cl)(c5ccccc54)[C@@H]3C2=O)cc1	408881227	IMTBKXRWVMUESZ-XYARCJHWSA-N	580.471	6.268	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408885110	XRWBUZFQYRVPSB-LDADJPATSA-N	555.812	6.275	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1	408885602	CSHXSNBPRPOOIZ-XSFVSMFZSA-N	524.982	5.139	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408887046	NMJDIRIOWRDRLE-YBFXNURJSA-N	511.361	6.215	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1	408953091	LNMFKBUMBOGPIQ-SXWOMVPGSA-N	762.985	5.261	50	40	KKGB	
N#C/C(=C\c1ccc(SCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1	408992889	UBXCJTOERJMDAW-CIAFOILYSA-N	512.547	5.295	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccccc1OC	409015065	ADMVBQPWSVNSTF-UCMJSZAQSA-N	553.615	5.308	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1ccccc1C#N	409023902	MMNZFQLIXPNSFU-CPDSRJINSA-N	599.812	6.304	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1	409027561	FQNZSZPXUSATJN-CVKSISIWSA-N	555.281	5.492	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12	409032227	LUODDUHNJPYGMQ-DRTQIIIVSA-N	561.641	5.735	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409043002	PAWJNRRMMDBIEI-RQZCQDPDSA-N	559.170	6.671	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2Br)cc1	409051055	HNDMIOPJGHIKJA-KKMKTNMSSA-N	550.678	6.825	50	40	KKGB	
CC(C)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	409057640	QFMZCCLJGQENDE-MKMNVTDBSA-N	523.181	5.700	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1	409070371	YWWFZIOMUPTBSU-NTEUORMPSA-N	525.772	6.099	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	409070873	PFFYKBLULKGHSK-NTEUORMPSA-N	631.129	6.832	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409122840	CGSVTIKFJVWVKG-IPPBACCNSA-N	523.964	5.321	50	40	KKGB	
Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(I)c1)C(C#N)=C(N)O2	409141712	WLOUWBQGBHJYRA-LJQANCHMSA-N	553.187	5.427	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1	409147303	VQIOHICZBSXJHK-KVAAJVFYSA-N	687.558	6.152	50	40	KKGB	
CCc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2OC)cc1	409165357	XBPMFYBNEMEQBS-VVEOGCPPSA-N	669.303	5.275	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1cccc(C)c1	409187652	AIVCUMMQGYDFNJ-ODLFYWEKSA-N	516.379	5.153	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409192069	UIRAIIFRRRESLS-FJEPWZHXSA-N	517.840	7.117	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3cccc(C(F)(F)F)c3)cc2)c1	409218418	IRJASGUXNTYMCV-QMRORBIVSA-N	579.962	6.903	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccccc1F	409235947	DKRGYRIFORCYEQ-KKMKTNMSSA-N	594.450	5.057	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1	409253036	YKLHQKIHCDXWBT-SDLDRHLBSA-N	530.249	7.119	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)c1	409261820	BWHFHINOBINTMV-LICLKQGHSA-N	585.252	5.789	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OC	409305603	WDKQCDNZMONJDT-MBTHVWNTSA-N	527.961	5.397	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409314813	SOUREAIVMLBGOT-ACXHZZMFSA-N	574.461	5.971	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409323675	PAWXRZSRLSOEPC-CNCDYAKUSA-N	687.409	6.971	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)[nH]c2c1	409391537	JNHDZKVGUGSXIW-APSNUPSMSA-N	514.796	7.183	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)cc1	409395099	JWWDXRGCSGYCPF-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)cc1	409395854	SMHKCZSETNOTPE-UHFFFAOYSA-N	724.837	8.071	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)[nH]c12	409396187	WYMJUINTAZUJMJ-UHFFFAOYSA-N	691.376	7.669	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccccc1	409396299	XNUASGHNFQRZJU-UHFFFAOYSA-N	730.638	8.759	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396406	PJEWSWXKGYQLCV-UHFFFAOYSA-N	590.438	7.663	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409396877	CIWYIAIGCKQISV-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397471	KFBGHQQHXFBGQM-UHFFFAOYSA-N	732.789	8.782	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409397477	KHJUHYSAIWTJJJ-UHFFFAOYSA-N	542.422	7.433	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409398109	QPQXRQJRFVTYIW-UHFFFAOYSA-N	562.840	7.778	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398140	RCZLKWBULQAKLU-UHFFFAOYSA-N	637.863	7.695	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)Nc1ccccc1F	409401659	HYHWRRDJPPXGHZ-GZOMZLSJSA-N	750.565	7.190	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OC(C)(C)C)c(Br)c3)o2)cc1	409402671	KMASPJYLXBXNSJ-LJUMEUDFSA-N	564.480	6.970	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(Br)cc1Br	409402976	LOUYMLDMCYGXFT-FRKGHFGRSA-N	800.342	9.295	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2I)c1	409404782	QYXZWSZDFHWPHY-VHFSBPNMSA-N	785.420	8.127	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1Oc1ccc([N+](=O)[O-])cn1	409406602	XGAPDKBOOYAEOV-HTVDVWKISA-N	753.404	8.049	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409409918	RWJPEEMSLSKMOH-GLJXUZQSSA-N	667.715	6.674	50	40	KKGB	
CCO[Si](CCCCCCCCCCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)(OCC)OCC	627274936	HWANRIBNSKRKIU-UHFFFAOYSA-N	636.946	9.572	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(I)c1	1529547734	OOQYENNVHJBPQH-MWKDUONYSA-N	777.479	5.826	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(C#N)cc1	1529548699	MAEPCWVXFKOERH-TXWDNMQDSA-N	741.462	5.547	50	40	KKGB	
CC(C)(C)c1ccc([C@@H](N[S@](=O)C(C)(C)C)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)cc1	1857795210	VJTIVTACNRPUBZ-IPQOFHBNSA-N	659.876	9.315	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)C(Oc1ccccc1)Oc1ccccc1	2185935	PBFAWUAGTFBIGV-KEIPNQJHSA-N	581.466	7.116	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	2384747	JYPHNDARIAPZRE-ZWUNQBBJSA-N	505.709	7.484	50	40	KKGB	
N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1	8456144	QTMJIXXEAHGFOY-AVRWGWEMSA-N	515.386	5.682	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	8457126	RAUIUVJSUPRDLT-FYYUUEJDSA-N	517.073	6.231	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1	9204708	FJIJADVXEQBKAO-JFLMPSFJSA-N	501.808	5.773	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(Cl)cc1Cl	19826147	PUBMUJBIKUNXGN-OGLMXYFKSA-N	510.450	6.182	50	40	KKGB	
CCOc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCc1cc(=O)n2nc(C)sc2n1	29747482	XWSTULABYHXQCE-LICLKQGHSA-N	544.618	5.242	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/C(Br)=C/c2ccccc2)cc1	32581124	RDDCSOUXWHFOHX-VLPUNFJUSA-N	517.427	5.062	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	97939495	UXVJXAAEMVVUFN-COEJQBHMSA-N	542.665	6.081	50	40	KKGB	
CSc1ccc([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4ccccc4Cl)s3)C3=C2C(=O)CC(C)(C)C3)cc1	98006241	PWNOEIWTORCMRJ-HSZRJFAPSA-N	580.204	7.147	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12	98008442	KSXOFFMQAVIWLD-UMSFTDKQSA-N	540.598	6.331	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122314	RFOJZPYOASWULZ-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)cc1C	100125337	OEYORONACVTLFE-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
O=C(Nc1nc2ccc3ccccc3c2s1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	100500258	XKAYZNKDTUIJAB-UHFFFAOYSA-N	508.452	5.170	50	40	KKGB	
N#C/C(C(=O)Nc1cccc2ccccc12)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	100846985	WAEQHONPYKEXSP-PYCDNFCQSA-N	544.463	7.212	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3c4ccccc4cc4ccccc34)nnc2-c2ccccc2)cc1	100858986	BGJUHDVKWDYIBF-FMFFXOCNSA-N	543.652	6.492	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCCCC(=O)c2ccc(C(C)(C)C)cc2)N1	102808934	JHZYIVVSLNGWQD-YTTGMZPUSA-N	599.196	8.473	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	103528656	NIJHRVBBQSORPA-HXUWFJFHSA-N	526.456	10.029	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	103898871	OSXQHIMORYGVRE-JBFMKSPFSA-N	625.750	7.578	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	103901121	YIHMZRNOSLOQMJ-UZWMFBFFSA-N	622.541	5.772	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1ccccc1Cl	150353043	BEFDJKDZVDVLMC-KVAAJVFYSA-N	665.915	6.541	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1	150469897	YPKPRDFVDIRNDD-UHIZKJEFSA-N	663.967	6.037	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	164246380	YXVRKYGIYRZZPP-KEIPNQJHSA-N	628.548	6.527	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538559	OTSFVIZYVHECKD-RDRPBHBLSA-N	562.666	7.414	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCC(=O)Nc1ccccc1	408544111	UTXDTNIJCVBQKX-NDENLUEZSA-N	521.367	5.628	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(I)cc1	408566612	ARAIINCDKQUGNC-IPPBACCNSA-N	699.430	6.649	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1	408582953	PXZBLBVBNVLRMB-SFQUDFHCSA-N	504.789	5.943	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)Sc1nc2ccccc2[nH]1	408598864	KNVTVCAMLOAQQO-LICLKQGHSA-N	635.268	7.008	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1ccc(Cl)cc1	408613140	ZKIQIZJATBDCFV-OAQYLSRUSA-N	508.018	5.376	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408639350	FPNQAYJXFYZRCV-NCOADZHNSA-N	651.566	5.809	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408650082	ZICSTNBAJYVYRO-VPBXCIAMSA-N	719.770	6.203	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408653140	DVVBJQNNRVGXGZ-RUGGUXRKSA-N	652.767	5.342	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408667625	BTLABFJEPATAGY-CGXNFDGLSA-N	562.302	5.490	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408726056	OKJHNTGOXYAMGY-JAIQZWGSSA-N	536.382	6.107	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408746914	HQRQTRZLEHXRME-MNBJERMJSA-N	549.852	6.068	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)NCc1ccccc1	408747316	MBBSIWHASAQGLP-GRSHGNNSSA-N	618.225	5.764	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)ccc1I	408747396	NGIUHHOWXFTPPC-YPXUMCKCSA-N	599.208	5.678	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)ccc1I	408748045	XOGZJHCGVBSTNI-AMVVHIIESA-N	788.161	7.005	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1	408788710	FJNUKGKNIFQAPW-YBFXNURJSA-N	602.254	6.652	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1C#N	408791469	XXQSALKJRQEYPY-RGVLZGJSSA-N	583.813	6.340	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1	408795136	LFZOOJNQUSXYET-FYJGNVAPSA-N	614.411	6.130	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1	408799529	ZTEOMRRGDYHONT-RGVLZGJSSA-N	600.384	5.740	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1	408810481	KSPVXNZMHDXUIC-MTJSOVHGSA-N	554.384	5.111	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408814073	REFQPRNLOOHSRQ-JMIUGGIZSA-N	600.263	5.721	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1	408824825	AEIMFULXHXSEBH-RPERFGLASA-N	594.693	5.251	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccccc2)cc1	408833050	YYHCKZVAURFEES-PPOKSSTKSA-N	579.678	5.773	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408838237	TXMAWJQVDKCBKZ-GRWOLDDTSA-N	553.684	6.072	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408844202	OVNUKQCSDVERRT-DPNNOFEESA-N	593.665	7.122	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408846563	OBJWKLNGQJPBQH-WBIBEUCMSA-N	771.824	8.658	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1sc2c(c1C#N)CCCC2	408846573	TXJQXKKMQMEZES-ZHSUKTGHSA-N	582.677	6.818	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1ccc(Br)cc1	408857053	KMFZYLWVMUIDGZ-DHRITJCHSA-N	518.253	5.449	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(C)c1OCc1ccc(Br)cc1	408859549	XYNHYOBGBQWNQH-LGJNPRDNSA-N	516.233	6.171	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cccc(Br)c2)cc1	408860946	JDEIHKRNRCWMPX-UHFFFAOYSA-N	506.466	5.169	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	408863368	MCNPLCAGFISEND-FMFFXOCNSA-N	585.085	6.056	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C(/C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408869353	CBMPXCOPNWIRRV-GHVJWSGMSA-N	519.330	5.088	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3cccc(F)c3)c(OCC)c2)cc1	408872770	IMYSWKUZAFYJRF-CIAFOILYSA-N	598.412	6.142	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1ccc(Br)cc1	408873471	ULXYUWWWJFLCLT-SRZZPIQSSA-N	677.333	6.272	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(I)cc1	408879348	FSZIZBADSMMNMJ-IIHBXENTSA-N	700.908	7.444	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c(OC)c1	408882978	SCICFSBUHMWXRS-DJKKODMXSA-N	759.176	6.478	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1c(C)ccc2ccccc12	408883857	RXKLDARHUKCHCY-LPYMAVHISA-N	609.442	8.453	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	408885989	CILCPIAKBVPPPB-VCHYOVAHSA-N	526.774	6.444	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408892024	XIZIQESIWJPTMX-OQLLNIDSSA-N	639.811	5.175	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(I)c1OCc1cccc2ccccc12	408923983	MOIRISZHCWOYMN-SVYXRYDESA-N	778.600	5.761	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408936963	GKOVSLFHPRLFBA-YNFMAFFXSA-N	680.268	6.119	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1C#N	408951064	KVNRDJTZJFCCHV-CFRMEGHHSA-N	525.008	5.937	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408954798	ZRQPAOXIHJMMDG-WJOKGBTCSA-N	766.512	6.829	50	40	KKGB	
CCCCOc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1	408964145	PHDNBZUUXFMEEY-WLVVRZKCSA-N	556.490	5.817	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccc(Br)cc1	408968366	WBQHBZVFNNSTRS-VFLNYLIXSA-N	622.232	5.806	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCc1ccccc1	408978403	ZLKMVZPIJYIEJS-XCYJHMCZSA-N	532.422	5.545	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409000806	YHXQPUPXGJYPGG-DMYOPKBNSA-N	710.011	5.003	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409016262	FWGDEQDTQJDRSM-PPDIBHTLSA-N	562.645	6.954	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409041210	ZSHBCVJLDCPZRX-ALQBTCKLSA-N	515.016	7.322	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCC(=O)OC	409048353	WEXRTQRZFLDGAC-UHBFCERESA-N	609.420	5.221	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409151017	FOMWOKNQRIHZTC-PNQUVVCRSA-N	689.721	5.756	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(OC)cc1	409167370	IOEGBGSJPYBLJK-VVEOGCPPSA-N	685.302	5.112	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(I)cc1	409210651	KMIRMJCSXVVLQT-MZJWZYIUSA-N	580.875	6.165	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc(Br)cc2)c1	409219583	OHSLUDKHASKGQT-UHFFFAOYSA-N	764.652	7.872	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409231907	FUDDBVNAKTYKFW-BRLDDBHUSA-N	599.400	5.241	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br)Nc1ccccc1Cl	409251130	OPPPOKJPZPOSLM-NKHVPTTDSA-N	739.877	8.514	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409265067	NNUQLQFFRLHBAS-FYJGNVAPSA-N	548.437	6.028	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	409265260	RPYYTZGFWPAMKB-AEUUOICLSA-N	695.408	7.279	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1C	409265610	UDETYIHWYADJHE-NHDPSOOVSA-N	611.334	7.008	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2C)cc1	409269965	MRTXBNBSBHLMRC-XDHOZWIPSA-N	613.306	6.482	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OCC	409313730	QTNAHUOGHOUPMO-LJUMEUDFSA-N	598.494	5.735	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409368304	XELBDCMMPAOPNG-MWLSYYOVSA-N	528.074	5.005	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1	409383881	NELYSOZOYGJSGQ-UVHMKAGCSA-N	580.806	5.313	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(Br)c1OCc1ccc(Cl)cc1Cl	409384053	YCGVZVMIUQLLAK-VFLNYLIXSA-N	582.278	6.515	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccccc1Cl	409384944	GXZHUNWTEIFQKT-KKMKTNMSSA-N	621.840	6.419	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cccc(F)c1	409389559	BZMHZJMBWRHXMC-IUXPMGMMSA-N	615.611	7.331	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc(Cl)cc1	409395123	KDGNGRMLYMPUBQ-UHFFFAOYSA-N	544.010	7.625	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409398220	RSZIIOMVEZJORT-UHFFFAOYSA-N	670.869	8.261	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)[nH]c12	409398939	WSLLNOURBWCMQB-UHFFFAOYSA-N	508.921	5.936	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3ccc(Br)cc3Br)o2)cc1	409400205	CAIBXDMLTKGCLE-RODHXAHZSA-N	711.838	8.787	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1OC	409401701	IBSWKKJDTNRCAL-JOCHJYFZSA-N	559.619	5.369	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1cccc2ccccc12	409401820	IETOBQLFVVMCRL-XFDYYPNTSA-N	725.583	8.375	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3ccccc3C#N)o2)cc1	409402216	JCMIGNSXJKPUCC-KMUKQRDJSA-N	589.608	6.389	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(I)c3)o2)cc1	409402364	JXDIHJPFRLICJW-RODHXAHZSA-N	714.387	8.520	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OC(C)C	409403609	NOKYGFVGVHXMFU-LJUMEUDFSA-N	531.609	5.834	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1	409404763	QXMQMPQFXJJAJQ-KMUKQRDJSA-N	637.649	5.964	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1cccc(F)c1	409406375	WKBQLBXSYNFEED-UHFFFAOYSA-N	689.538	6.958	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCC(=O)OC(C)C)o2)cc1	409410353	VPECSSBTADPZMQ-UHIZKJEFSA-N	642.934	6.776	50	40	KKGB	
CCO[Si](CCCNC(=O)OCC(F)(F)C(F)(F)C(F)(F)COC(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC	627276274	YCBPNPQAQPNRNB-UHFFFAOYSA-N	706.823	5.222	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2cccc3ccccc23)c2ccccc12	1529548958	QVQFVRTYMDHTBI-GYWOIVEESA-N	645.785	6.036	50	40	KKGB	
CCCN(CCC)S(=O)(=O)c1ccc(NC(C)=O)c(SSc2cc(S(=O)(=O)N(CCC)CCC)ccc2NC(C)=O)c1	1889302869	SWJUOVOKTHYPDH-UHFFFAOYSA-N	658.934	6.024	50	40	KKGB	
O=C(COCCOCC(=O)OCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)OCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12	2060989908	QPCNDJHGABQZOD-UHFFFAOYSA-N	750.714	5.351	50	40	KKGB	
O=C(O[C@@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2N=C1O)c1cccc(CBr)c1	1823695	DXKSTRNWCPOEOR-QFIPXVFZSA-N	562.645	6.620	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCc1ccc(Cl)cc1Cl	2143430	CCLFTFGJXXEQIK-HHHXNRCGSA-N	517.412	7.342	50	40	KKGB	
Cc1cc(C(=O)N(NC(=O)C(O)(c2ccccc2)c2ccccc2)[C@H](c2ccccc2)c2ccco2)cs1	2208082	IFYCUSZLGMHMLH-MUUNZHRXSA-N	522.626	5.849	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(C)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2311606	KNZCKDDDFMIXHW-UXHLAJHPSA-N	513.667	5.791	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	2632086	QSUKUXHLERHPNN-JFLMPSFJSA-N	528.421	5.052	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCc1cccc2ccccc12	59447253	DWLDKUFURWUMSI-RWPZCVJISA-N	505.368	5.659	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	59646355	MMLCYZYBWWYYFQ-VUTHCHCSSA-N	548.462	5.609	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1cccs1	96933934	MLMUBQJNXLETIB-AREMUKBSSA-N	530.675	5.772	50	40	KKGB	
COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)C2=O)cc1OC	97946883	WANACNQGBUKVBO-IMRQLAEWSA-N	604.663	5.409	50	40	KKGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	97959983	XXSGLZFOQVGLJO-JOCHJYFZSA-N	582.278	6.378	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCc1cccc2ccccc12	97964999	CHYOUBYURITVQG-KCSSXMTESA-N	565.655	5.532	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccco2)cc(I)c1OCc1cccc2ccccc12	97972340	CUEKKCSUYPFBRX-DICXZTSXSA-N	540.357	5.779	50	40	KKGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3nnc(SCc4ccccc4Cl)s3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	98007197	MNDJYCONTRLGMG-GDLZYMKVSA-N	589.146	5.555	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	98048652	MXIMEAGXYQQGCO-RUZDIDTESA-N	621.468	7.620	50	40	KKGB	
C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)COc1cc(C)c(Br)cc1Br	100030106	GRRPKFAHIJNVKZ-WYMPLXKRSA-N	576.083	5.182	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccccc1	100122695	SDWNFHZFJJNPLB-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(Br)cc2)cc1	100989401	VCMASWYHQPTIAR-YDYXIROLSA-N	552.881	6.476	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	101905869	DUSQDOMNTIYUIR-WQRHYEAKSA-N	542.227	6.345	50	40	KKGB	
O=C(N/N=C/c1ccc(OC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1)c1ccncc1	102416508	JADWGOXATXZZGT-GCBPCVQVSA-N	533.415	5.700	50	40	KKGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(Cl)c1Cl	103132760	SYLVUHXSSNJTET-VKAVYKQESA-N	500.455	5.956	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)COc4ccccc4Cl)c3C)sc3c2CCCC3)cc1	103870621	CEIXBOZBYRPJRJ-FZPRHHONSA-N	575.134	6.778	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	103884009	WAHAYAHWKTZPRF-KQWNVCNZSA-N	547.011	5.482	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl	103889160	PXRLNCWJFWAHQV-UVTDQMKNSA-N	522.266	7.258	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(Cl)cc2)cc1	103900673	UWNLYEMJZTVRKF-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
CCCCCCCC[C@@H](Br)[C@H](Br)CCCCCCCC(=O)N1CC[N+](C)([O-])CC1	104109812	OPTBLTCYRYQSSC-FGZHOGPDSA-N	540.425	6.781	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCc1cccc2ccccc12	109599646	CCEAAQOVZKFLHV-KCSSXMTESA-N	592.477	6.732	50	40	KKGB	
CC(C)(O[Si](C)(C)C)c1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(P(c2ccccc2)c2ccccc2)cccc1C(C)(C)O[Si](C)(C)C	219793186	VPGVRXSEMZOSDU-UHFFFAOYSA-N	783.094	11.043	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	229854114	IHFQDNXQXWDGJI-ABNLYDASSA-N	539.013	6.500	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3)cc2Cl)ccc1OCc1ccccc1	408539021	DNSJPWSLXRSWBB-OHUYPAJKSA-N	549.454	7.314	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)ccc1OCc1ccccc1	408539947	KVBSUBKTTAMAQZ-BJUCDSOZSA-N	703.225	7.905	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccc2ccccc2c1	408550800	JZLLWJBCFSBIQS-UCQKPKSFSA-N	519.236	8.008	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554107	ZGHQUDVINRKLHZ-MNDYBZJGSA-N	522.388	5.937	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC	408582037	LHVGEUUUBVJJRE-VCHYOVAHSA-N	513.377	6.101	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1	408637480	KYSLERNGEBWSSW-DWACAAAGSA-N	562.449	7.062	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408645573	SLWSZHWWVAUOJJ-PDPGBCDDSA-N	570.300	6.306	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)cc1	408650661	MOVQGVHJOQQCHG-XFSFDTJHSA-N	728.821	5.886	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408657493	UJKWQRYJEGYIPV-DMAQGEDHSA-N	659.158	5.020	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1Cl	408720148	UIWSOAASNXYXFB-LGJNPRDNSA-N	526.829	5.001	50	40	KKGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OCc1ccccc1	408740101	DIMORWSVADJRQS-OCKHKDLRSA-N	513.395	6.045	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccccc1	408740724	DSAIGQMCXMOECI-BKUYFWCQSA-N	609.261	7.332	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408744155	DGWAGTJTPKKERL-SXGWCWSVSA-N	566.666	7.543	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)ccc1I	408747855	UTNGKGGEXKQLJW-KKMKTNMSSA-N	676.676	5.909	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408765007	YOJQUXFIBLPFFG-PXNMLYILSA-N	763.993	7.545	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(Br)c1OCc1ccccc1	408774830	QUJCRXHFMRGKJS-MTJSOVHGSA-N	521.411	6.370	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c(C)c1	408791473	XYEPEEWUNLDVEI-VXLYETTFSA-N	558.245	7.092	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1C	408793576	FKWNAXFRDWRWOO-QGMBQPNBSA-N	520.243	8.042	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(I)cc1	408794592	JTERGJPWWAEPAW-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798268	VLNXHCYDFUHTJT-CXUHLZMHSA-N	583.640	7.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCC	408823510	DRZLODSZNJYDTJ-HYARGMPZSA-N	582.438	6.522	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1	408824824	AEIMFULXHXSEBH-JNOQVAKMSA-N	594.693	5.251	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408832602	RRAAFBNPJLLQBS-HNSNBQBZSA-N	636.568	5.999	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)c(C)c3)c(OC)c2)c(OC)cc1Cl	408832929	QYJKEJJTHACDIO-AWQFTUOYSA-N	632.882	6.712	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc(OC)c1OC	408838665	GXRASTMQPORVQU-UHFFFAOYSA-N	554.024	5.216	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408839160	NYXXEDOSEUZTEX-QNVXDBMFSA-N	645.326	7.934	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840906	DAXHRKHOOUUEIB-PTEHHBOZSA-N	625.940	8.996	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408841103	HNUSNLMMLBRNET-IDWIKUEFSA-N	564.085	7.766	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(Br)cc1	408844372	NWTLIDFZFGQYDX-MWBNBJEGSA-N	662.009	8.711	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)/C=C/c3ccccc3)cc2)cc1	408845148	PAHTVHQNZHOKIH-LICQPGKASA-N	598.453	6.093	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1cccc(C)c1	408849442	YOLKEBOOLMOJQP-XZYGTATASA-N	612.107	7.497	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)COc4cccc(Cl)c4)c3C)sc3c2CCCC3)cc1	408850499	AYEBQSLGQBFGKS-FZPRHHONSA-N	575.134	6.778	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408858566	TYJLCFKNGWMKNF-HYARGMPZSA-N	507.461	8.032	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408860401	UUAKIUOGWFMLFA-KULFSUQXSA-N	679.504	6.375	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1Cc1ccccc1Br	408865011	BCEFYLVRXYLJIU-VXLYETTFSA-N	544.276	7.600	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1Cc1cccc(F)c1	408867465	IOSCUVODYGROOC-RQZCQDPDSA-N	530.312	5.714	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408873129	NLFSPFCPFZBEII-FYJGNVAPSA-N	551.362	7.746	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408876618	QLUYKRHLUKOAGU-RQZCQDPDSA-N	501.848	6.392	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	408878747	CZLQSPYMSOFLOO-RQZCQDPDSA-N	591.245	7.187	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])cc2OC)cc1	408882914	PLLREMSUHHIMJP-LICLKQGHSA-N	582.363	5.148	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	408892378	AVSOVNALVFBYSS-WOJGMQOQSA-N	606.816	6.937	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408894607	IKFQHFJBEAADTR-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408894876	JOUCBUJGLJHRDG-GZTJUZNOSA-N	565.862	6.667	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408896532	RRDNMRYTWDPWGV-MHWRWJLKSA-N	546.204	6.529	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408896601	OQORBYQMIJWPPQ-WKULSOCRSA-N	537.797	6.247	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Cl)cc1	408898042	JTNGTXDKDNDIJD-OVCLIPMQSA-N	556.254	6.922	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl	408926199	VZIPMJMVQRPRQQ-CPNJWEJPSA-N	507.804	7.925	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1ccc(F)cc1	408926322	XAUSIZCQBVAOIF-VCHYOVAHSA-N	570.371	6.028	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	408933561	BICGHBWQTSIGHQ-SKBUGYKVSA-N	571.209	5.750	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1cccc2ccccc12	408956169	PTCDGXWPUYFTNQ-QQBNKMPASA-N	706.796	6.275	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccc(Cl)cc1	408957604	VFVAMDZRMWYHPW-WTIDAYISSA-N	691.181	5.775	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(F)c1	408962865	KQEVXGUZELRUTG-VVEOGCPPSA-N	586.323	6.191	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408971138	MWBWJLQVTHXXNH-RKGAGWFUSA-N	600.543	6.216	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1cccc2ccccc12	408982492	YCLJDAWAAOORML-MMMFUHAMSA-N	597.712	6.378	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1Cl	408984506	ROHTWHIXMFKTOA-IUXPMGMMSA-N	625.663	7.279	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5)cc4s3)c([N+](=O)[O-])c2)cc1	408987983	CFUKDSZVYGBOBO-PXLXIMEGSA-N	591.674	7.462	50	40	KKGB	
COc1ccc(OCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)cc1	408996492	PPMFINTXAKOGSN-KYMQWJLESA-N	647.147	6.644	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408998009	PUOZVLNJKURIHD-WCMJOSRZSA-N	566.883	6.618	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409002933	QFNIFJXEYRPBTP-OBTNBVIQSA-N	744.028	5.405	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2cccc(C)c2)cc1	409006051	LLAAYWJXPQZHPS-GRTYNBIKSA-N	575.621	5.945	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007765	QSGFXFGSTCXPTL-CFRMEGHHSA-N	513.638	5.224	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)C(=O)Nc1ccccc1Cl	409046286	JVMSAYTYVYJQBR-UDWIEESQSA-N	507.804	7.925	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c2ccccc2)cc1OC	409132423	ZTMHRJGFAWFTIN-HNSNBQBZSA-N	668.566	5.400	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409166344	DFAGSBWLCWZUSG-VPUKRXIYSA-N	628.694	5.524	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1cccc(F)c1	409214107	REYLIEGFIKDULN-XODNFHPESA-N	551.865	6.462	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409219975	SFFKODSBJIXDSK-QITPYKGKSA-N	598.055	6.382	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1C#N	409220845	GRNZILUDUVDQJQ-JMIUGGIZSA-N	617.365	6.705	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409223482	ZQTQKDUJGANQAG-JCMHNJIXSA-N	520.383	5.592	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c2)cc1	409224455	KFORKITVDSSKNJ-UHFFFAOYSA-N	572.415	5.693	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409247571	IJFATSWNUCSCML-ONUIUJJFSA-N	549.498	7.356	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409257286	RYCNVDDSPMWGQG-KOKCXWAISA-N	698.643	8.113	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	409263829	ONYZAAVKQWRNEX-GZTJUZNOSA-N	512.747	6.092	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1C	409266119	OTYXAORGVJBJEZ-UDWIEESQSA-N	506.356	6.056	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCc1cccc(Cl)c1	409304886	STZRAXBHONCVGV-HQDYHJHZSA-N	579.480	7.323	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OC	409318623	YZIIETRZSPXMJG-FDVSRXAVSA-N	515.393	5.918	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1	409360347	DWMCDBMGAPSFDR-LGJNPRDNSA-N	534.781	5.605	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	409372492	MDHFSCXIJZUJDV-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409374856	AMMQCOBGQOEKKN-WBIBEUCMSA-N	656.164	7.396	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCc1ccc(Br)cc1	409378641	QTMROMOGNWOJBO-GIJQJNRQSA-N	545.231	5.860	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387236	VEAQWROGPNWWSH-ORBVJSQLSA-N	569.253	7.766	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc(F)c1	409391601	IXKQRALDULBBFJ-SOFYXZRVSA-N	511.605	8.192	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)cc1	409394690	DRESRIPBHORBNV-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(Cl)ccc3OC)c(-c3ccccc3)c2c1	409394924	HQGUNRQICOBGCM-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409396650	ZSJZWYPQIXVHFJ-UHFFFAOYSA-N	867.716	8.627	50	40	KKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409399101	HWQGPVMRLVQXPH-NMQPEJGJSA-N	594.506	6.978	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1	1529548575	JGRIHCWUCOOLKC-JKYKOXDNSA-N	750.897	6.329	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c[nH]c4ccccc34)n2-c2ccc(Cl)cc2)cc1	1804734	ZBVIHHVIHVWTMS-WKULSOCRSA-N	517.014	5.320	50	40	KKGB	
CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl	2295189	PPBPELAZFUXUHV-VQTJNVASSA-N	538.840	5.147	50	40	KKGB	
CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccccc1OC	2312519	AUHUZPAGLABKTJ-RPBOFIJWSA-N	515.591	5.188	50	40	KKGB	
Cc1ccccc1/C=N/NC(=O)CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1	2736466	JILDWIFYNPLZMS-RWPZCVJISA-N	582.471	5.035	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1	8396822	BPHQMRCZEFEXLA-ZMGVVAQMSA-N	717.431	6.265	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(Br)cc3)cc2)cc1	8399476	CCKDBDFUMZFWIX-KIGQLGJESA-N	583.486	6.586	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	9434153	MZNFINDADDBJHX-DEOSSOPVSA-N	504.999	5.640	50	40	KKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1	20347705	RMRAYQCWGLGPMU-DEOSSOPVSA-N	502.596	5.340	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1	20347754	KDBHDMYLJSPOHH-MUUNZHRXSA-N	509.631	5.954	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1ccccc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	59678731	KFXRZHLFTLRQBP-KVQDIILNSA-N	506.609	7.366	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	100127436	DJWBJTAWMSRTJM-ATZGPIRCSA-N	572.584	5.598	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2C)cc1C	100194089	VFDMXEOHNJUFRI-SBWWSWLISA-N	562.717	8.600	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	100227836	XONGSTMMJRZLLX-WQRHYEAKSA-N	593.248	7.121	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100239596	VTMQSPQZXUBKJU-WPWMEQJKSA-N	564.889	5.237	50	40	KKGB	
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	100451505	HIAUHCLBBDBOBW-YUFMIYQMSA-N	534.059	7.429	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(=O)OCCOC)c1C	101043216	URKKTEOGQBSBIO-LGMDPLHJSA-N	527.624	5.145	50	40	KKGB	
CC(C)(C)NC(=O)N/C(=C(\Cl)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102311488	TTZSBKVMWZGVLD-ZIADKAODSA-O	580.541	7.889	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(F)cc1	102935015	WZUVNFFIUYZPKZ-RQZCQDPDSA-N	596.318	6.582	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)cc1	103882866	WLXKQLRNKSXHAT-HAHDFKILSA-N	595.335	6.355	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)cc1	103887404	WTPOEBQUTRKSBE-ZDLGFXPLSA-N	607.673	7.140	50	40	KKGB	
CCCCOC(=O)c1cc(-c2ccc(/C=N\NC(=O)Cc3nnc(NC(=O)c4cncc(Br)c4)s3)o2)ccc1Cl	150365980	VERGUJOZKGKCKA-CPDSRJINSA-N	645.923	5.511	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@@H]3ON=C(c4ccccc4Cl)[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	169811332	YMVIZMMZCSLVDC-DGPQASMDSA-N	648.079	7.474	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	216063876	JYDFUZVCCPJYDG-MUFRIFMGSA-N	637.312	6.584	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3C(F)(F)F)cc2OC)ccc1OCc1ccccc1	408538860	CPGDJKRWXBLBJG-RODHXAHZSA-N	599.005	7.298	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OCC)c3)cc2OCC)ccc1OCc1ccccc1	408539054	DYEAYEUXHSOVIY-WJPIIEFQSA-N	753.690	9.146	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c(C(=O)OCC)c1C	408547517	YUWCXYRIDFVHPM-VXLYETTFSA-N	803.840	7.570	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550816	HLDLBGQKIWFCFO-CXUHLZMHSA-N	650.325	7.688	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408552852	KXNNZVWHEKIGRF-OHUIHDMLSA-N	544.744	6.447	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1	408568024	HRJASZSSAUWWEH-CCVNUDIWSA-N	669.404	6.640	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408569300	MZQTZAXSGNCGPX-FJEPWZHXSA-N	622.006	7.088	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OC	408583442	URJDTSWGCUDGIT-VXLYETTFSA-N	541.829	6.510	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1	408606012	KXDJLZAQLZPRDX-CCVNUDIWSA-N	500.382	5.368	50	40	KKGB	
CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2c(CC)cccc2CC)cc1	408606660	ABCATGWFYNEHDP-KBVAKVRCSA-N	535.044	5.134	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1	408642589	FBLNDHYQFVIDEO-GBXCKJPGSA-N	541.387	5.692	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408658475	VBCLFRFQAHDSFW-BRORTUQTSA-N	627.499	6.609	50	40	KKGB	
O=C(NNC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccccc1Cl	408672109	ZMHJWLZYPSGOBG-MHWVZRRTSA-N	644.942	5.306	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	408723388	UVFGYXAMBAPUFA-JPMMUQAJSA-N	562.025	5.315	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)c1	408744850	NPXDKEYPTXFBHA-XKZIYDEJSA-N	623.288	7.640	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)c1	408745135	JYYBFSKLKMBRRT-ZDLGFXPLSA-N	593.248	7.121	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408747127	ZVPAOVDFMLMLRX-MFOYZWKCSA-N	681.224	5.937	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1C#N	408747817	UEMKWTUQUZFTGY-GRSHGNNSSA-N	567.237	6.217	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408756001	QHAOUZCLXWOPNL-WJDWOHSUSA-N	500.769	6.210	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408759082	XMKACGKUWABYGY-KBVAKVRCSA-N	540.417	5.647	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OCc1ccccc1	408759175	ZCRLSUAICHBYAU-HZHRSRAPSA-N	574.418	6.968	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408759480	FVKWYLHCTFTLRL-KBVAKVRCSA-N	505.534	6.107	50	40	KKGB	
N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)Nc1cccc(Br)c1	408763664	JKMQXBOSJVXDNG-PDGQHHTCSA-N	501.340	5.906	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Br)c3)c2C)ccc1I	408765406	PJNNBKDPUKPHPK-WOJGMQOQSA-N	560.233	6.315	50	40	KKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c1	408780723	JAKAFSMHFPTXEI-VYYCAZPPSA-N	529.422	5.407	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1cccc2ccccc12	408792251	AEJWJGPJYJYJMJ-CIAFOILYSA-N	596.308	8.432	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1cccc(C)c1	408795831	WHFWHYSHFRUAER-FYJGNVAPSA-N	521.411	6.290	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	408802397	DTGKNQURCZWBFZ-WOJGMQOQSA-N	524.835	7.513	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408821079	CCRJCHXUFYWJKH-BUVRLJJBSA-N	662.924	8.113	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408821303	FXKOZALVAAKEGX-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838574	GFUCQVRUDNRBEI-XJECJHNESA-N	596.543	8.627	50	40	KKGB	
COc1c(I)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408841003	FBDPPWAMBUDNCA-JQAMDZJQSA-N	686.235	5.816	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC	408843482	NDEXWMWSYQCGQM-PNQUVVCRSA-N	629.455	5.701	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408848587	XGFZMCCMSYNMCL-XZYGTATASA-N	612.107	7.497	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2I)cc1	408848669	RTSQMSPFZNGQGM-WKIKZPBSSA-N	636.227	6.293	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cc1	408861291	BOGCVJWPIDAALU-GUBAARJWSA-N	659.208	6.199	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(F)cc2)cc1	408862873	IYLVJQQNUBFREM-XICOUIIWSA-N	581.669	6.212	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	408863127	LILJYEBCMQNQCB-RPPGKUMJSA-N	514.793	5.132	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccccc1	408871610	HQWRDKIQDULPGK-VTNSRFBWSA-N	595.946	7.746	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc2ccccc12	408878608	AYNQMNRRJXLTCS-HNSNBQBZSA-N	509.005	7.388	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408879644	DIPOBHYVZCBUJQ-VHYSTVPJSA-N	619.231	6.519	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1	408888314	YXXARBGXDKXFTA-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	408934366	CFPCSGKFFBFLSM-KCSSXMTESA-N	582.509	5.914	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc3ccccc3c2)c(OC)c1	408944902	JWNWMLZNAVUJHW-YTTGMZPUSA-N	764.642	5.917	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c(OC)c1	408949164	DXIVMHCBRWLZEE-FKZKYSLJSA-N	686.505	5.209	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c(OC)c1	408958383	YJPBTVSNNYPQFO-VOSMKULASA-N	675.953	5.955	50	40	KKGB	
CC[C@@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1	408969184	ISVFXTRXXHKCAB-YZYPULCFSA-N	533.466	6.644	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408981663	CGJPAZRUOVSMJT-JMIUGGIZSA-N	525.388	6.523	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409019974	YKDIXUXAZFQAFH-BKVJQJCSSA-N	648.418	7.752	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl	409028761	RTNLKTGRFZPCHL-LUOAPIJWSA-N	562.306	5.624	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1cccc(F)c1	409034614	HSAYCQKUGLXJCT-MWBNBJEGSA-N	692.554	8.039	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1	409040170	XVNZZZBDRMNXSP-QGOAFFKASA-N	554.002	5.594	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccc(Cl)cc1	409041484	AGGQNGBFMPYQLJ-MWBNBJEGSA-N	709.009	8.553	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1	409049432	WUYKJLOTDGRYAS-LICLKQGHSA-N	578.238	6.260	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409083623	VOBIYNLLQNUICY-CPNJWEJPSA-N	532.484	6.107	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1	409111570	DJEVNECLONPULS-AJBULDERSA-N	527.646	5.471	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2cccc(F)c2)C2=C1CC(C)(C)CC2=O	409132602	KGUFHURODYXRNG-RUZDIDTESA-N	554.460	5.550	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)cc1	409164302	GJOZYZHNYJIWLV-IBBHUPRXSA-N	631.911	5.315	50	40	KKGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	409170375	UQMCWIXZBULYCM-LQKURTRISA-N	528.834	5.941	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)CCc4ccccc4)(c4ccccc43)[C@@H]2C1=O	409220308	WOAWYCAYKDQHOS-VJYFDHCXSA-N	574.080	5.934	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccccc1Cl	409253698	GLPAPARLPOTQHM-ODLFYWEKSA-N	615.855	6.133	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	409254452	XKPWKKBQBQMHSU-DHDCSXOGSA-N	624.116	7.082	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)cc1	409265582	VRIJAUFEQKLZMC-YVLHZVERSA-N	603.698	6.737	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)c(C)c1	409268884	ZBOGZUVZDFQLFU-GIJQJNRQSA-N	651.277	7.410	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409309811	MSZZEVMKYFCLKC-MNBJERMJSA-N	586.557	6.046	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1OCC	409313672	CQWQUIRNLJOCGT-MWLSYYOVSA-N	527.390	5.895	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)cc1OCC	409314562	LEKOFHLBVSATNB-MWLSYYOVSA-N	588.296	6.518	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409316174	PIHCTRVHRXIBQX-CAQPMQTCSA-N	531.008	6.279	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409357294	ILXGZELZYXPICP-IPBVOBEMSA-N	586.111	6.660	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409364554	YLCLOIVCUUBMQH-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OCc1ccc(Br)cc1	409364573	XORMTPUDSUSLPL-VFLNYLIXSA-N	687.170	6.356	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371816	PGPBNDWZNCTJFP-IUXPMGMMSA-N	687.069	7.210	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409373622	RLVMPRXYPYAVNO-ROTLSHHCSA-N	592.200	5.300	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OC)cc1	409378625	QNUCTETVUQQDRT-XDHOZWIPSA-N	550.409	5.338	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1nc2ccccc2[nH]1	409383765	FUDFOZXGBUGYCW-SXGWCWSVSA-N	637.646	7.069	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386612	QRCHYAIDJDRQQG-WKULSOCRSA-N	560.429	7.068	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1cccc(C)c1	409387166	UIKVHQJFSWPDKA-UVHMKAGCSA-N	554.422	6.232	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(OC)c(OCc4ccc(C)cc4)cc3Br)[nH]c2c1	409393686	YZXZRKCNEIUVDZ-GRSHGNNSSA-N	504.384	6.294	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C(F)(F)F)cccc4c3-c3ccccc3)cc2OC)cc1OCC	409397178	HDTHRDHDWDFKKY-UHFFFAOYSA-N	645.634	7.643	50	40	KKGB	
FC(F)(F)[C@@H](Br)COC(OC[C@H](Br)C(F)(F)F)OC[C@@H](Br)C(F)(F)F	1083809834	QPNVUMCCCJDWGE-HCWXCVPCSA-N	588.881	5.297	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1	1529544182	ACPLSVPJWFPGAG-CKRMDNAKSA-N	702.027	5.575	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	1529548741	MZSCGWXAWHZEPR-RQQSEGDXSA-N	697.641	6.195	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccc(Cl)cc1	1529549451	ZJZQBHZVTJFCHH-LNZKYNOCSA-N	702.027	5.575	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	819742	PNMXPRUQULIBEH-FUSDPXDGSA-N	526.818	5.185	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccccc1	1067145	BSKRFAOAFBOTKT-GDLZYMKVSA-N	538.673	6.019	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1	1759927	OZOMKLRMFBRCIG-JFLMPSFJSA-N	506.722	6.524	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Br)c3)n2-c2ccc(Cl)cc2)cc1	1902350	TZBREHLBBGXANB-MZJWZYIUSA-N	540.874	5.901	50	40	KKGB	
CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl	2295191	PPBPELAZFUXUHV-WOJBJXKFSA-N	538.840	5.147	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)cc1C	2310636	TYXLPHHWPZLVIL-WJOKGBTCSA-N	549.696	6.683	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc(Br)cc1	2894404	RBQGXFIGWVSGNJ-ZMOGYAJESA-N	502.162	5.195	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(CSc2nc3ccccc3s2)cc1	3308782	DLOSYHUAIHSMDA-OCSSWDANSA-N	568.636	6.480	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C2CCCC3=O)sc2c1CCCCC2	3666599	VMZDIKWCDJEFGL-QFIPXVFZSA-N	508.043	5.762	50	40	KKGB	
O=[P@]1(NCCCN[P@]2(=O)OC(CCl)=N[C@H]2c2ccccc2Cl)OC(CCl)=N[C@@H]1c1ccccc1Cl	5663387	YZXXGKKALYTQGN-HACWDRCNSA-N	598.191	6.981	50	40	KKGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21	6135655	SODLDYWNYKXNBZ-PPOKSSTKSA-N	502.618	6.545	50	40	KKGB	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1Sc1ccccn1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1	12960958	QTDSHLYPCFOFAZ-AQTBWJFISA-N	539.598	5.500	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1c(Br)cc(Br)c(O)c1Br	97961775	RNMFJXRXOHWARR-IFRROFPPSA-N	569.873	5.135	50	40	KKGB	
NC(=N\N/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)/C(N)=N/N/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97961999	ANGLHAPWAPAINY-FMWAKIAMSA-N	690.772	5.641	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2nc3ccccc3s2)=C(C#N)[C@@H]1c1ccccc1	98048681	OQRAPIZUIHZLPP-MHZLTWQESA-N	567.696	6.011	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccccc2F)cc1	100124036	QBNSLIHMOYWFAC-KBVAKVRCSA-N	597.510	5.650	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	100351453	CAOZGGVLXYWURX-RGXNXFOYSA-N	579.122	5.140	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	100398188	JJIXKBYYZWJNQM-ZCTHSVRISA-N	548.064	5.260	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc(Br)c3)nnc2-c2cccnc2)cc1	100853786	OURLUCJENUSRGD-OGLMXYFKSA-N	551.470	5.123	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\C(Cl)=C\c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1	100858833	YJASPBDVFBPQJW-NBLQHWNFSA-N	549.121	6.108	50	40	KKGB	
CC/C(=N\NC(=O)CCCCC(=O)N/N=C(\CC)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	102248979	XBJAJEAEFGZGSX-VFIVCBTMSA-N	544.310	7.021	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C	102469527	UIYQJJPTFGQQDV-FZBRZNRVSA-N	556.902	7.329	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	102578391	SOGKXUQGWAKFCZ-BDCZLXLPSA-N	546.580	6.245	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl	102932906	JIKJTXVUNOKBPW-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/C(Br)=C/c2ccccc2)cc1	103448387	GZYJQDOVYJGLBX-HQVSTQHZSA-N	545.481	5.842	50	40	KKGB	
CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528262	AVPMSFGFFKZPPF-LLVKDONJSA-N	550.234	8.424	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)OCc4ccc(OC)cc4)cc3[N+](=O)[O-])sc2c1	103745992	HZXRVQCDNUAREJ-VULFUBBASA-N	538.607	6.023	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	103879227	UEGVSSQXZQSONK-STKMKYKTSA-N	592.117	6.215	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	103890881	IHZITMRQPSOJJT-ODLFYWEKSA-N	562.280	8.162	50	40	KKGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	103901436	MTOHWMOFVLCOCO-VTNSRFBWSA-N	581.016	5.361	50	40	KKGB	
Cc1ccc(-c2nc(-c3ccc(/N=C\c4ccc(N(CCCl)CCCl)cc4C)cc3)cs2)cc1	104076903	ITGVMXCSYHJOIJ-MNBJERMJSA-N	508.518	8.129	50	40	KKGB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=N\Cc1cccc(Sc2ccc3c4c(cccc24)C(=O)OC3=O)c1	104106766	HNFAGWONBVZBCK-ZXPTYKNPSA-N	540.000	6.319	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	105627085	AZXSSCLYYQAKBG-GXBUFBABSA-N	597.624	5.347	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)c(C#N)c1C	105720784	BBCQCOIGBVRROI-VUTHCHCSSA-N	595.724	8.257	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](OC(=O)N(CCCl)CCCl)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)N(CCCl)CCCl	118935688	RWHNPJRLKOXYHE-RJIJGRTFSA-N	628.509	7.599	50	40	KKGB	
CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341229	WADOWYSMEPNVPE-YFKPBYRVSA-N	916.135	11.801	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	162472938	HYXUJPRQBBBAOU-KCSSXMTESA-N	642.959	6.036	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	169795438	AEASXWRKYRDLON-CALCHBBNSA-N	628.261	9.570	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1OCc1ccc(Cl)cc1Cl)c1cccnc1	227149704	MBIRHQGDTBNMQZ-NSKAYECMSA-N	652.057	5.941	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1Br	408538335	LFSQDKNPFKRCSW-QGOAFFKASA-N	550.291	7.115	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1cccc(C)c1	408541167	FCJSZVKOINJBEL-JMIUGGIZSA-N	521.367	5.589	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1ccc2ccccc2c1	408548847	MBAGZYCAZQYBJJ-VYYCAZPPSA-N	569.296	9.161	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)c(OCC(=O)Nc5ccc(Cl)c(Cl)c5)c(Cl)c4)cc3)cs2)cc1	408550310	COKXKEQCMHLMKY-NNODZFFKSA-N	699.447	9.257	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1cccc(F)c1	408568403	JIEYGKNWOJBVEY-FJEPWZHXSA-N	605.551	6.574	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12	408570001	RKHADBXVXAQTRO-FJEPWZHXSA-N	565.120	5.941	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	408578965	CBBLWZFAKIQTSG-YBFXNURJSA-N	511.803	6.501	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408611752	SAUYWNDHCPNSDP-WKULSOCRSA-N	528.392	5.235	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408612942	XNKVAQGKHKLULJ-OKCVXOCRSA-N	544.435	5.849	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408646728	UHAKSWKGSNHFKB-HXUWFJFHSA-N	560.777	5.435	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408649030	XCPBFRQKOQGVJI-UCDDGIFISA-N	781.679	6.484	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408668268	DDAZNHCUTVKQBW-BJESRGMDSA-N	584.393	6.972	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	408725809	KTUCECWQVPZQDD-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(I)c(O)c(I)c1	408735086	NSHGNQFZKZBBIP-VZUCSPMQSA-N	564.548	5.109	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(I)c2)c1	408743917	CKQFTWWCIBZUOB-MOSHPQCFSA-N	524.358	5.815	50	40	KKGB	
Cc1c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2n1Cc1ccc(Br)cc1	408746974	IUXJOKOHLWPQPY-FMFFXOCNSA-N	552.472	6.147	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408747118	JJPAQUUEOLUVPI-JAIQZWGSSA-N	603.254	5.865	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747195	KIWRZKSCUFWYKF-STZFKDTASA-N	609.261	7.332	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408747257	LFBUFCBZBNZXEX-OCKHKDLRSA-N	593.248	6.409	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408747285	LPIMOSQOUHPWQQ-MTJSOVHGSA-N	552.255	8.034	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(Br)cc1	408752779	CBQNWUFMXPMHGD-MFOYZWKCSA-N	621.123	7.107	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408755640	RLOYXTVHGZLXJX-PDGQHHTCSA-N	575.868	6.123	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)C(C)C)cc1	408758714	PQLQDSSNJLMQCK-KIWPJCSWSA-N	687.454	6.705	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccccc1F	408761495	GAUBIUALAAJEEE-NDENLUEZSA-N	570.256	7.204	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccc(Br)cc1	408774838	QUZNKUFELDDUSZ-MOSHPQCFSA-N	646.323	6.643	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1	408792125	IFNIKFYEHICECQ-GZTJUZNOSA-N	557.198	6.244	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1	408797448	RXEMAQCQFZCSIV-SRZZPIQSSA-N	609.274	6.385	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408813141	FJKSBYNZCLVZLM-GRSHGNNSSA-N	684.699	6.360	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3F)cc2Br)cc1	408816554	UCUAKUWCWUSITO-JAIQZWGSSA-N	525.374	5.408	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3c(C)ccc4ccccc34)c(OC)c2)c(OC)cc1Cl	408823019	CCKAUPAZPCATKO-SRZZPIQSSA-N	621.915	7.715	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1	408833212	RYLJBTSEBFHLKD-HNSNBQBZSA-N	510.037	6.241	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408834179	VJEQSPWZMILNBW-WVKHYPTHSA-N	781.309	6.004	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1Cl	408836041	PMQWSXUENDMAAG-UHIZKJEFSA-N	663.967	6.037	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCc2ccc(Cl)c(Cl)c2)c1	408837139	ZEVGGZUHMGZNPU-HZHRSRAPSA-N	593.894	8.359	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1	408837762	NAZKOQBFBRRSRK-VUTHCHCSSA-N	532.493	6.049	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1	408848960	XKNAVJKILKEJKF-IZYHBKOJSA-N	662.551	7.851	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)c1ccc(C)cc1	408849651	ZSWMRZHKFLMBHG-UXHLAJHPSA-N	511.534	5.222	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1	408857348	UKUACANFQAYBRO-WGARJPEWSA-N	526.330	5.389	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	408877057	PBDUDKVBXUKBFK-JVWAILMASA-N	520.438	5.128	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)c1ccccc1	408882783	SFANTMDEJSICIN-VULFUBBASA-N	501.764	5.484	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccc(C)cc1	408884238	YAZROQOFBSWHNW-UDWIEESQSA-N	570.281	6.962	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408888541	WVHYGCOVRUCUJN-RIYZIHGNSA-N	563.331	5.123	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408888936	CXAZPUSPINXLQS-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1Br	408900408	VOQDTUTUZWKGEB-YBFXNURJSA-N	603.254	6.495	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OCc1ccc(F)cc1	408921771	BWJPKPOANNUGGC-GIJQJNRQSA-N	587.345	5.780	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2Br)c1	408922123	DIHGMRUXQFRICA-VXLYETTFSA-N	570.237	6.343	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925682	STHBGJSFUVWVOR-LDADJPATSA-N	663.344	5.800	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408949249	FEFOHTSYKWBVFI-HAHQWYSTSA-N	693.161	6.514	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(I)o1)c1cc2cc(Br)cc(I)c2o1	408951261	IMEYHMTYMFDFBW-PTXOJBNSSA-N	663.829	5.524	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c(OC)c1	408955423	OPTRYFOWLJLACQ-HVJLQFNCSA-N	675.953	5.955	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)OCC)cc3)c(I)c2)c(OC)c1	408958377	YFCRUHPZZFSSNQ-KUSRIXJQSA-N	849.473	5.538	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCCOc2ccc(C3CCCCC3)cc2)c(Cl)c1)NC1CCCCC1	408971925	MAHGAVANHPJNOU-ZCTHSVRISA-N	532.512	7.465	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1	408973361	MBIUPDMYLOVNOL-UPJRRAFRSA-N	501.652	5.446	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c2ccccc2)cc1	408980502	RMGYUTHISDVIGG-UJEJHLKSSA-N	556.471	6.122	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)cc1Cl	408982356	GPNKNMCSUBJGLR-IUXPMGMMSA-N	642.118	7.794	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc2ccccc12	408989707	LNDYQJADTWGQFD-HMAPJEAMSA-N	531.837	7.689	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1	409004229	BHWCCXHGTMZRRR-LZXVHXDBSA-N	614.408	5.959	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC	409005071	ZAMXLJLABORVER-KVAAJVFYSA-N	622.461	6.255	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1	409013982	LLJDRKMUYDBWGN-AKZPAKQWSA-N	593.555	6.753	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCC(=O)Nc1ccccc1C	409014774	YLRKVXKIDLTHRK-FDAWAROLSA-N	510.594	5.193	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl	409017514	RWZDBYLFENCDTA-SPIWIXLJSA-N	539.257	5.063	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)cc1C	409024155	AILKUUQCMXVDGG-DPGRRRKKSA-N	558.704	5.808	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409032862	KEKNDBKWYSKAAG-NKHVPTTDSA-N	778.215	8.761	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccccc1	409043266	DODHAYHGBXISHK-APTWKGOFSA-N	613.455	6.858	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409045972	QLJOISVXEDMZEM-XMHGGMMESA-N	539.975	5.286	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409048570	SCAHYFPXQNEVIU-XDHOZWIPSA-N	568.855	6.373	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409050534	WTRBJGHDRGNYCM-FABQOPTDSA-N	628.110	7.857	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409074186	SKVZZBCQIOUAPN-XNTDXEJSSA-N	629.259	5.920	50	40	KKGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409115621	SMPKJNQFTGNICQ-VUTHCHCSSA-N	570.509	5.715	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2Cl)Cc2ccccc2)c(C)c1	409145690	PCFPCVCMQCNJFW-CCVNUDIWSA-N	518.466	5.260	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409149291	AQDDWKJFHXXNGE-ORBVJSQLSA-N	595.675	5.735	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cn5)cc4)c3C)cc2c1	409183946	GPDDMDZPDFHJRC-ACXHZZMFSA-N	539.548	6.098	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12)c1cccc([N+](=O)[O-])c1	409184524	XYTDVMDMVJHGFG-AWYXSTPUSA-N	621.993	5.123	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1ccc([N+](=O)[O-])cc1	409202551	RIHWHDGJUHPEJF-WQRHYEAKSA-N	516.722	6.496	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1	409224993	NVAJDGOPEZOOIR-JYOXDBMGSA-N	643.450	6.001	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409227733	VWJOMBCTABZHRD-UDWIEESQSA-N	581.410	5.480	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccccc1	409229672	SSTPOPRNPSCOIP-HBFFOVPNSA-N	520.243	7.664	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409254464	DKPZQXCYWUPLAM-VYYCAZPPSA-N	530.806	5.283	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1C	409256105	JRWGKSJWBXLCJQ-MWBNBJEGSA-N	610.139	7.605	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409257219	PCRYSRLIXXEONH-VCHYOVAHSA-N	603.300	7.026	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409257647	TVWWAWFMGCZPOO-UDWIEESQSA-N	521.976	6.058	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1	409258327	ULMPYCWRKZBULG-WOJGMQOQSA-N	569.253	6.083	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccccc1Cl	409265920	VAZOYEQHJORLAX-QNVXDBMFSA-N	650.975	8.295	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OCC	409325133	XJICFLXFKBVBAE-ZMGVVAQMSA-N	579.908	7.576	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409369251	JBQFQYYVPKIPMY-UCMJSZAQSA-N	555.700	6.054	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(I)cc1	409371716	LCRXSMDFIKXDGE-GRSHGNNSSA-N	605.226	7.004	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409384284	AINQPYXKHQCDFY-STZFKDTASA-N	512.635	5.480	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409389347	AUOFTXRVDVQUED-NVMNQCDNSA-N	530.293	5.990	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409391741	KZVFXCKMOFWRHY-HQDYHJHZSA-N	659.351	7.858	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409397770	NWPTYUICYDFHCQ-UHFFFAOYSA-N	533.584	6.225	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409400250	CFXBOMLPCYQXEF-UKFZFBQRSA-N	767.358	6.180	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)Nc1ccc(C)cc1	409401548	HMQMVTSOVJQQHP-UUSDDZCZSA-N	778.498	8.280	50	40	KKGB	
COc1cc(/C=N/c2cc(Br)c(OC)c(Br)c2)ccc1N(CCCl)CCCl	1704858	VQNHZOCEXXKOMZ-WYMPLXKRSA-N	539.095	6.263	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1cc(Br)c(O)c(Br)c1	1705636	RICJVUAGCPTGGF-FOKLQQMPSA-N	509.069	6.260	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1c(F)cccc1Cl	1783477	ZTOBWMIKKPCMLY-JXMSVWESSA-N	569.058	5.113	50	40	KKGB	
C[C@@H](Br)C(=O)Nc1ccc2nc(SCC(=O)n3c4c(c5ccccc53)CCCC4)sc2c1	1835307	MESHIPMMEMMGHS-CQSZACIVSA-N	528.497	6.284	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)nnc2-c2ccc(Cl)cc2)cc1	2344919	GDFOWLIEQXBXPN-AMVVHIIESA-N	529.975	6.157	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1	2638362	PNNXZLOYJDNCAP-CCVNUDIWSA-N	548.835	6.472	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	2670805	FPPHWLDHXUKZBR-OVCLIPMQSA-N	549.266	8.153	50	40	KKGB	
Cc1cccc(NC(=S)NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(C(C)C)cc2)N3)c1	2794104	STUXEFYUAWTWDM-TZIWHRDSSA-N	516.593	5.607	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/C=C/c2ccc([N+](=O)[O-])o2)c1Br	3075020	KHOLZFZSTOPHLY-AMEFXCEASA-N	529.185	5.339	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	3143040	XRUQHHWDFYTPCI-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	3143625	MPUTUVPZRUTPKH-FCFFNXBQSA-N	505.530	5.270	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)cc1	3162792	FVLOAWOECMYENN-BRJLIKDPSA-N	524.253	5.737	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccncc1	3665359	MCAIPZGVCYHYNS-UZWMFBFFSA-N	521.418	6.733	50	40	KKGB	
COc1c(Br)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1Br	4062594	NESUWPIKJGLUMX-CCVNUDIWSA-N	561.318	6.689	50	40	KKGB	
COc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196239	BATHQWOEBMKIJF-REZTVBANSA-N	523.641	8.061	50	40	KKGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)cc1OC	8657357	GEBYWPPEWZEQBP-KPGMTVGESA-N	583.601	5.033	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1OC	8763785	RDRJPAZPSHFQEW-KGENOOAVSA-N	510.059	6.901	50	40	KKGB	
CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1	9301929	LZLHHPDHPIJADB-QRVIBDJDSA-N	507.062	5.042	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccccc1O	13896423	LPIGISVSNBPQJH-JFLMPSFJSA-N	512.422	5.579	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cc(C)ccc2C(C)C)ccc1OCc1c(Cl)cccc1Cl	31858897	IHRAGUWYDKANFZ-CPDSRJINSA-N	515.437	6.542	50	40	KKGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccco2)cc1	33573925	BDTPACHQOZSPKC-UDQJNWPPSA-N	509.400	5.813	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc(I)c1OCc1ccc(Cl)cc1Cl	35999814	LGCJHTDBYVZJRI-XMDQBOCPSA-N	712.368	6.209	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3OC)=C(C)N2)c1	97950401	MYYCJNANFUKZPV-AREMUKBSSA-N	530.606	5.003	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	97951902	PYTVYGKQZRQTQA-SANMLTNESA-N	530.625	6.051	50	40	KKGB	
O=C(N/N=C/c1c(Br)cc(Br)c(O)c1Br)c1cccc(I)c1	97971049	BNTJFOSZMXLJRR-KPSZGOFPSA-N	602.846	5.048	50	40	KKGB	
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1	97980916	CRAHLYONVLGEJM-WOBLBKRWSA-N	541.677	5.533	50	40	KKGB	
COc1ccc(/C=C(/C#N)C(=O)N(CCN2C(=O)c3cccc4cccc(c34)C2=O)c2ccccc2OC)cc1	97983787	SQFAWXMVTLFHGH-NMWGTECJSA-N	531.568	5.093	50	40	KKGB	
CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1	98002600	LUXYLUQRZYLHII-UWCMXIFYSA-N	567.487	7.071	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCOCC1	98050615	RPKFLXZAMGAPFG-GCZGMXNJSA-N	628.976	6.868	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	100062779	DAVFPZUYYWEPHV-PPDIBHTLSA-N	615.547	6.899	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1cccc(Br)c1	100130893	TUJJCMHXMHFBHZ-BRJLIKDPSA-N	535.305	6.003	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1	100580404	HAUXSLGBIGIDFM-RQZCQDPDSA-N	542.773	6.144	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)ccc1OCc1ccccc1	100987654	ZHTFSJDMFJTZEQ-SRZZPIQSSA-N	584.019	7.539	50	40	KKGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)=C2C#N)cc1OC	102808963	MZJLMZIVWFVVOB-HXUWFJFHSA-N	562.047	5.299	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1	102934993	NUQQMVWXELVPDP-LZYBPNLTSA-N	516.312	6.174	50	40	KKGB	
CCCCCCn1nc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c2ccccc2c1=O	103043454	ARZORGKTEVOEIJ-UHFFFAOYSA-N	554.676	5.220	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	106592363	ONACDNYIOROPLG-WKIKZPBSSA-N	536.209	6.138	50	40	KKGB	
CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)[C@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C	123208758	RBYRHDBWVSOLNG-WDMLGBDLSA-N	597.587	5.650	50	40	KKGB	
Cc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C\c3ccccc3OCc3cccc(Br)c3)n2-c2ccccc2)cc1	150391565	SSHDVIWRDSHGJW-MOVPCUQFSA-N	655.622	7.160	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	150426866	XDEWLOBMUBNSHI-RPPGKUMJSA-N	630.651	6.201	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2Br)cc1OCc1ccc([N+](=O)[O-])cc1	150575374	WAEIHAFUUKHDKH-VFLNYLIXSA-N	643.292	5.716	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164739998	FFEASNSHAMSMHG-ODLFYWEKSA-N	725.151	8.480	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1	408566750	BBFQACSXFMDISZ-CCVNUDIWSA-N	669.404	6.640	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408567256	CRQYKQGDBAABAP-CCVNUDIWSA-N	533.502	6.580	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc(Br)cc1	408581192	UWWHOIIRYUUGOC-DEDYPNTBSA-N	509.230	8.552	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1[N+](=O)[O-]	408599382	TZQQLVRMUGHTMI-WYMPLXKRSA-N	533.176	5.463	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1	408610283	NEZNNQPCBKOXRG-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408644835	TVMGZTLZBCWRKZ-BRVVMQMESA-N	683.191	5.142	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCc1ccccc1	408722302	GSSMSEBVKVBYIM-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1	408734828	FNCKAZQPIKNYAI-KPGMTVGESA-N	530.411	6.191	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1	408741793	NUKAFKJITPYZSV-MYBYBSHWSA-N	703.580	8.767	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2I)cc1	408747568	PSBVRCTXCBIKLA-UNOMPAQXSA-N	573.228	6.487	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(C)cc3)cc2Br)cc1	408789761	LATRHYDJGYAADS-HYARGMPZSA-N	535.438	6.680	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(Br)cc1	408797510	SESLHCSPWKVTTR-KOEQRZSOSA-N	569.455	7.161	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3c(C)ccc4ccccc34)c(OCC)c2)cc1	408817011	SSSNNXZTJMJYLK-LFVJCYFKSA-N	585.498	7.833	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	408832250	SJJWRBKJJVXBTB-LUOAPIJWSA-N	562.306	5.624	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)cc1	408833374	JQJPRKBEPZSCAW-IBBHUPRXSA-N	574.461	6.189	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)c1	408839624	UTESCQRLJFACOV-UVHMKAGCSA-N	542.842	6.342	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408840336	AQFIJDAIGATKAQ-IBBHUPRXSA-N	578.433	7.037	50	40	KKGB	
CCOc1c(Cl)cc(Cl)cc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1	408841734	KHVNYQYUYXXVIP-YPXUMCKCSA-N	517.360	6.304	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408854330	COGBMCXMSXATAI-XCOOOMCFSA-N	574.102	6.417	50	40	KKGB	
N#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408859485	XFVISEQDFBXBFG-AQHIEDMUSA-N	511.557	5.277	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408863889	QVLPFXRAKHBSMO-KCSSXMTESA-N	655.958	5.466	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408863947	VQSFAHPKKGSZGU-BIZUNTBRSA-N	622.541	5.691	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408873342	PQDBCALLNHLPEB-UDWIEESQSA-N	536.382	6.053	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OC(=O)c1ccc(OC)cc1	408885641	DFYDFTYOVGNNNA-XODNFHPESA-N	613.235	5.988	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2OC)cc1	408885692	FAULVZAEWMKCTM-UVHMKAGCSA-N	570.421	5.069	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1c(Cl)cccc1Cl	408887408	OAGHYHMAPUYOPS-LDADJPATSA-N	511.361	6.215	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccccc2OC(=O)c2cccc3ccccc23)cc(C(C)(C)C)c1O	408890798	ZKZJKPONUKCBBV-HPNXWYHWSA-N	550.699	7.443	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408891314	OLLXBQBFCXOJKV-RQZCQDPDSA-N	528.348	6.043	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OCc1ccc(C)cc1	408892838	CSVWETDHKDLDLR-GIJQJNRQSA-N	603.800	6.295	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cc(C)cc(C)c1	408894825	JDBKELNRALDHGV-SRZZPIQSSA-N	539.857	7.161	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc(C(C)(C)C)c1O	408895567	LFVBMXPQKSTPRS-HNSNBQBZSA-N	521.101	7.303	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1	408897197	QPLJWMOZORELTO-UVHMKAGCSA-N	517.807	5.771	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904980	RJUHDFJQFZYEQB-BCHBDCPOSA-N	591.187	6.348	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1O[C@H](C)CC	408909609	HLKLINRLQIKCBJ-YPKLGXIKSA-N	525.443	5.411	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(F)cc2)c(OC)c1	408922889	HKQJZHNMWIQMGL-RQZCQDPDSA-N	603.344	5.480	50	40	KKGB	
N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408937242	NMZYYJSLURSDAJ-UQQQWYQISA-N	505.530	6.298	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408948276	CNUVRJRORZGADZ-NAWMDJKCSA-N	710.398	6.608	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408969361	MPHUPVGCIZEHPJ-KZTHHHFKSA-N	593.305	5.410	50	40	KKGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408973095	RZVZSJHXWRFXCH-FIMQGSNUSA-N	506.430	5.007	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1	408980400	QSAQZUGIFAIEAS-CCWCOGDNSA-N	537.447	6.324	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1	408993544	WBOIOUOBHITKIC-LDADJPATSA-N	646.537	8.460	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)Cc2ccc(Br)cc2)cc1	409009377	DYTWZSKXFPWWMM-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1cc2cc(Br)cc(I)c2o1	409011082	LXYPPMNNGTYOLD-IFRROFPPSA-N	563.971	5.032	50	40	KKGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC	409045951	QHJPHIXYTPRKRZ-YKQZZPSBSA-N	575.406	5.681	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	409083964	UYYFOQHXQAFJOJ-MHWRWJLKSA-N	606.351	7.121	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409131329	IXCPMNLQORXZCP-VWLOTQADSA-N	567.042	5.218	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)[C@@H](O)c1ccccc1	409142170	BQHZAJTUXWPDAI-VYORJIDISA-N	681.095	5.965	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	409186231	ZENOVTUVDYAXDV-XKJRVUDJSA-N	649.778	5.913	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(I)cc4)c(OC)c3)cc2c1	409186436	BZOWTYKENPYNQQ-NUJZUDFISA-N	696.279	6.392	50	40	KKGB	
O=C(COc1ccccc1I)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409187308	OSITVOHPDPHMKM-ZRGSRPPYSA-N	644.101	5.924	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409223538	IHRUVEMJDJJQHA-CXUHLZMHSA-N	564.347	6.584	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1	409226637	VNZJPYCENAZQCB-LICLKQGHSA-N	603.698	6.737	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1	409227776	WRFHTPGPWCCQGB-GZTJUZNOSA-N	633.724	6.827	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)c1	409251946	ANRKGWAINRGBSF-PPDIBHTLSA-N	624.127	6.064	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)ccc1OCc1ccccc1	409261902	FGJQNXSVWWMZRN-KOKCXWAISA-N	650.559	7.460	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409264661	QVXWTNUUOBIUBR-LPYMAVHISA-N	562.464	6.336	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409315292	UYQXWSAYKYSINC-CNCDYAKUSA-N	685.393	6.747	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1OCC	409322020	VQYLZKJKLKWFBO-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1OC	409332639	HNXQUOSAXVMSFE-MUXKCCDJSA-N	531.378	5.347	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1cccc(C)c1	409373151	MVVFGVVLEYBQFK-KBVAKVRCSA-N	502.998	6.552	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409396967	DLFRICSWNNRCEN-UHFFFAOYSA-N	571.555	7.236	50	40	KKGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409404560	QGTNXYPFWXYFLY-LJUMEUDFSA-N	623.447	5.655	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1O[C@@H](C)C(=O)O	409404887	RFMJLRHWOLSPLJ-VOEGGJIGSA-N	703.384	6.806	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccncc4)c3C)o2)cc1	409408651	KKPOERLGBPJSIN-CAQPMQTCSA-N	507.594	5.833	50	40	KKGB	
O=P(OC[C@@H](Br)C(F)(F)F)(OC[C@@H](Br)C(F)(F)F)OC[C@@H](Br)C(F)(F)F	1083812595	WSCIJIIKGKUROW-HSUXUTPPSA-N	622.835	6.122	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C	1260390055	MILYVWHUDKCSIS-ZDMIKQRKSA-N	924.727	18.718	50	40	KKGB	
C[C@@H](CCC(=O)NN=C1C(=O)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	1889253740	IDKDEJKAOLGAAX-CAEMQGIOSA-N	604.619	6.173	50	40	KKGB	
O=C=Nc1ccc(OCCCCCC(=O)OCCOC(=O)CCCCCOc2ccc(N=C=O)cc2)cc1	2061000246	NSHODRWCJJFXRE-UHFFFAOYSA-N	524.570	5.286	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)ccc3F)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1838617	JLNLWXGDYOZNND-WCMJOSRZSA-N	596.526	6.384	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3	1845792	GPKPMDJHLUTEEG-CCVNUDIWSA-N	583.533	5.340	50	40	KKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CCCC2	4480299	IWCRXXQLKGSYAE-RAXLEYEMSA-N	534.943	6.891	50	40	KKGB	
CC(C)(C)N(NC(=O)N[C@@H](c1ccccc1Cl)P(=O)(Oc1ccccc1)Oc1ccccc1)C(=O)c1ccccc1	8453174	GJGCJWMOBXPIBY-MUUNZHRXSA-N	592.032	7.845	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	11853074	LJEUVOYBADFUCW-RUZDIDTESA-N	535.094	6.417	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1	12341859	VKPJSEKDNMCPQE-OGLMXYFKSA-N	519.689	7.506	50	40	KKGB	
C/C(=N/NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(F)cc1	13882006	WQJSOYDVILXFGC-NRKBPDMMSA-N	523.037	5.693	50	40	KKGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	20348305	HUBXFECDLAYNPT-RUZDIDTESA-N	502.039	6.134	50	40	KKGB	
N#C/C(=C1/SC=C(c2ccc(Br)cc2)N1Cc1ccccc1)c1nnc2n1CCCCC2	32693790	SJUIOMVXTVAYIP-DAFNUICNSA-N	504.457	6.207	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccccc1C#N	59336528	DXHDOTNYRPVEQL-XKZIYDEJSA-N	518.400	6.727	50	40	KKGB	
CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)C[C@@H](c2ccc(OCCCC)cc2)[C@H]2C(=O)OC(=O)[C@@H]32)cc1	70664933	JYGVBDUPDUESNF-MDZACBLVSA-N	516.634	6.291	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)c1OCc1ccc(Br)cc1	96401944	LNWCLVTUFDIDKI-HMAPJEAMSA-N	505.412	6.508	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc(Br)c1O	97960465	IYSLIYQDUQZFOK-JJRPROGJSA-N	585.886	5.194	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	97960724	CNNPYDDQXQTWHM-PDGQHHTCSA-N	542.227	6.345	50	40	KKGB	
CC(C)Oc1c(Br)cc(Br)cc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N	100075866	ZJAAUNFAZYFXSX-OVCLIPMQSA-N	527.220	5.703	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1)S(=O)(=O)c1ccccc1	100103028	IVZDCWAQWPUMCN-FDAWAROLSA-N	562.047	5.506	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	100145514	CHZPCEYYZMKXRL-MZFJOGFUSA-N	583.541	5.785	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(I)c(O)c1	100460557	MWRLKYXQUWVXQN-HNSNBQBZSA-N	617.874	7.539	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1	100852197	QXSUJLDUKNYWFV-BIZUNTBRSA-N	566.558	7.480	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1	100859687	WFAHJTHVZXUNKA-DPNNOFEESA-N	585.089	5.813	50	40	KKGB	
Cc1cc(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccs2)c(C)n1-c1ccc(OC(F)F)cc1	102988511	ZZUQXEWAVOKBBZ-PGMHBOJBSA-N	540.595	7.400	50	40	KKGB	
c1ccc(P(c2ccccc2)c2cccc3c2oc2c(P(c4ccccc4)c4ccccc4)cccc23)cc1	104848683	VAVXLUZIWOAKCD-UHFFFAOYSA-N	536.551	7.102	50	40	KKGB	in-vitro
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	214523681	QSRQNSZCENLINB-RPPGKUMJSA-N	597.101	6.326	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1	408539277	VBOCNEXOQFUBOM-WPWMEQJKSA-N	553.058	7.669	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408550794	HKIIHIXPVXVCTH-LICLKQGHSA-N	666.299	6.568	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)c1nc2ccc(F)cc2[nH]1	408566904	BKEFFGPDJKLTFB-IDUWFGFVSA-N	646.201	6.426	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br	408569556	OPGKBLQMAZGQAZ-OPEKNORGSA-N	573.918	5.052	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1Cl	408598640	GVNKAYJBUSNEOL-CAOOACKPSA-N	608.288	7.719	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1	408611772	WJWIFZBHRTXXOU-SFHVURJKSA-N	514.409	5.467	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408645153	HMJFIOMRCYBDHF-HYDBUUOVSA-N	673.185	5.409	50	40	KKGB	
C#CCOc1c(I)cc(I)cc1/C=C(\C#N)c1nc2ccc(C)cc2[nH]1	408732010	OARRSQXDDYYMBU-RIYZIHGNSA-N	565.152	5.157	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408734938	LSHIPMNDCRQPII-RGVLZGJSSA-N	506.787	6.407	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)c1	408746384	SHYYRSPWLDIQCN-ODLFYWEKSA-N	572.374	5.962	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408746555	FDBAKWHFLQQGKY-CHHVJCJISA-N	571.085	8.187	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)ccc1OCc1ccccc1	408748824	IDNFFLQDBSEAJV-DHRITJCHSA-N	512.454	5.880	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1	408751435	ZJYHUINBMFITSH-KCSSXMTESA-N	671.329	6.028	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I	408753273	GAUCWBFHUPFTAX-SDQBBNPISA-N	576.026	5.761	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)Nc1cccc(Br)c1	408760070	QXNBQGPEEXWQHU-XIEYBQDHSA-N	578.897	8.773	50	40	KKGB	
COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1	408784439	REPVYAYMMPRLGO-MXAYSNPKSA-N	533.435	5.258	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1	408787480	AQJAEEICHPHQNY-CIAFOILYSA-N	535.394	5.843	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408791944	FORUISXWCNWISA-LZYBPNLTSA-N	628.091	7.485	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)c1	408798584	VVQAMJHVROMNOK-UDWIEESQSA-N	634.255	6.637	50	40	KKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408803484	PPDNNKIHVXLLOA-WUYOVAOFSA-N	503.440	6.783	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	408813515	NKCWOEATMVZYFI-XIEYBQDHSA-N	503.001	8.080	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(Br)c1	408819232	XDYRHXGAWCLVRK-VZUCSPMQSA-N	500.574	5.428	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408822785	MBRQAPXJTGOXLG-RDRPBHBLSA-N	522.026	5.017	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1	408836994	XOSQLLJMHNMVDE-LALXJTNGSA-N	753.730	6.936	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408837185	ZSMDYCVDBLQVMK-WSDLNYQXSA-N	608.865	8.259	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccco2)cc1	408841619	FSGAYMNWNGFHPZ-WKULSOCRSA-N	566.795	5.931	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1cc2cc(Br)ccc2o1	408849814	ZMFBRJHPIQEGRZ-OPVMPGTRSA-N	523.126	6.434	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2Br)cc1	408852701	MPRZRSDQXTWILK-UUYOSTAYSA-N	593.319	6.846	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(Br)cc1	408855970	GUEUTFFOJJYBIJ-OKCVXOCRSA-N	582.292	7.106	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cc(Br)cc(I)c1O	408861753	CWKBPXYARVUQPA-TXNBCWFRSA-N	658.099	5.271	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)c(OC)c1	408872931	LMBMKDMMCZAMLP-WSDLNYQXSA-N	521.411	5.577	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408875053	CAUUQYYIRRKXSG-WOJGMQOQSA-N	530.647	7.001	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	408878369	AEBSTWYWLXPZAU-FZKWRIDDSA-N	640.593	5.743	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1Cc1cc(C)cc(C)c1	408879768	DCPODKSGZNEDHL-KEBDBYFISA-N	590.383	7.072	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(Cl)cc1	408881014	JWSJYBWBUSRSJC-VCHYOVAHSA-N	588.785	5.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1	408881311	KPOPETSYFFSCLV-VXLYETTFSA-N	526.376	6.733	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccc(C)cc1	408883236	SDJFWMUYTBQREE-XICOUIIWSA-N	544.736	7.356	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1C(=O)O	408884659	XZPGMOZXIZAILS-LICLKQGHSA-N	556.210	6.034	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OC(=O)c1ccc(C)cc1	408888142	SSSFJFJVECTCAS-DEDYPNTBSA-N	598.291	6.992	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1	408888432	ZVKOXJZNQPFAEL-XDHOZWIPSA-N	509.787	6.484	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCc1ccc(Br)cc1	408889024	ATPFEEPQIIZWRT-LGJNPRDNSA-N	548.231	5.572	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1	408889269	BITKANXRKRVFDD-VCHYOVAHSA-N	512.349	6.343	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3ccc(Cl)cc3Cl)c2)cc1	408890576	VVYKRRBJEFLEPJ-UDWIEESQSA-N	525.388	6.303	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1c(Cl)cccc1Cl	408892577	CQLBUHWAYOVZKG-XNTDXEJSSA-N	522.215	7.433	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408897642	ZESMYVAKISIICJ-WOJGMQOQSA-N	622.868	5.965	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCc1ccccc1C#N	408905392	YIVYCEFHXMDUKI-UHBFCERESA-N	510.506	5.293	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OCc1ccccc1C	408921536	BCGVNRILJSAWRE-GIJQJNRQSA-N	603.800	6.295	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1cccc2ccccc12	408923369	ICLYZSWWRZOEGL-FEZSWGLMSA-N	622.684	8.882	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408940654	CRVLXHYSLXTDTJ-LJAQVGFWSA-N	797.499	6.461	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408947348	CCQJXKWTCZSPMO-MTJSOVHGSA-N	575.419	5.692	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1OCC(=O)Nc1ccccc1	408950920	ULLHYSMWWYWYNW-QHDYCIAZSA-N	558.638	6.243	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408964336	QWGVELVKHXBNTN-VPUKRXIYSA-N	637.621	7.069	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409000319	XTKMGTSUZGQOFS-KBVAKVRCSA-N	601.413	5.901	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c2ccccc2)cc1	409002963	QKFXPCOGHXGLAN-WTAXBKJTSA-N	570.759	6.260	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	409021337	BYQAGJOLWOALSC-KYHGBAKBSA-N	540.417	6.259	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	409028744	RENGGVJULADMRF-KBVAKVRCSA-N	613.479	5.826	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409034996	IRKUOPMJLLAXHQ-DLCNMLRHSA-N	741.221	8.374	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)cc1	409046041	ICPQJRVLBBZQGR-WOJGMQOQSA-N	590.293	6.142	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OS(=O)(=O)c1ccccc1	409067442	QVEPKLKHLDKXRE-OQKWZONESA-N	518.591	5.136	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2C)cc1Cl	409072724	SBBCLLFFIDUTRM-WCMJOSRZSA-N	512.997	5.375	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1cccc2ccccc12	409099283	PXDUNEFZABQEPL-HHHXNRCGSA-N	604.400	5.979	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409132220	ZQCSIMBGOOGNRR-HSZRJFAPSA-N	577.306	6.464	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	409141301	MYPMZXJCXLIOCG-LQKURTRISA-N	542.499	5.222	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C2=C1CCCC2=O	409147628	NBCDATYAPAIJFY-OAQYLSRUSA-N	682.256	5.113	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1	409150060	ZGZLTPATPNXKRX-LGJNPRDNSA-N	599.732	5.206	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1	409154093	MQWUEUXORVBNER-FJEPWZHXSA-N	617.884	5.006	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1	409161611	WNDCQILDLVYHFG-KCSSXMTESA-N	672.520	5.284	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)cc2c1	409188165	XAFWSFRBBMLDHD-YNFMAFFXSA-N	592.273	7.252	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12	409220070	XVHMUHFGJODWFI-YWFOEXFCSA-N	591.023	5.144	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1ccccc1	409228600	ZUUYPNKUHRSYTF-JCMHNJIXSA-N	520.383	5.592	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2Cl)c1	409258329	WIYBWVJGJICPNN-PPDIBHTLSA-N	595.675	5.655	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccccc2)c1	409264777	SBEYZJAZICNTQR-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1OC	409315183	UONNTJKTIGNBKU-MWLSYYOVSA-N	509.990	5.227	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OCC	409322474	XOHMJIUEMSHMJA-FZPRHHONSA-N	646.966	6.779	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	409331461	DHNXVWQOFSZAOO-QMRORBIVSA-N	666.956	6.789	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1	409349299	POFPUPIHZLJPLG-VFLNYLIXSA-N	642.719	6.247	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409356470	GXTDEMCYUUBWEU-VYVUJPJFSA-N	604.101	6.799	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1	409362720	JXJGIQUUCAGRPB-FDVSRXAVSA-N	576.862	6.232	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)c3ccccc3F)cc2Br)c1	409371183	CLYMMIMJNDWJGG-ZDLGFXPLSA-N	501.193	7.302	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(c1ccccc1)c1ccccc1	409390241	CDMUODIGVRCITE-MNBJERMJSA-N	672.304	6.757	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)[nH]c2c1	409390394	CVTGZGCUOISKHZ-UUASQNMZSA-N	608.117	8.046	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)[nH]c12	409395537	OVXNMOPGUZJFOE-UHFFFAOYSA-N	642.307	7.215	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccccc1Cl	409397575	LKLPXRCTOGQFFJ-UHFFFAOYSA-N	619.846	7.076	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397816	OIXYJKRANCBJOF-UHFFFAOYSA-N	626.463	6.708	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)o2)cc1	409400400	CUKOVFUJJGKIAE-KMUKQRDJSA-N	597.071	6.701	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc5ccccc45)c(Br)c3)o2)cc1	409402640	KJAZTVDIIFXLKX-FIBXFRIOSA-N	683.002	9.178	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4C#N)c(I)c3)o2)cc1	409405661	UKLADMGHVPSJFP-WBIBEUCMSA-N	670.507	7.085	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)o2)cc1	409406109	AIVKBMFHBOTVGP-DLCNMLRHSA-N	619.947	7.853	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)o1	409407767	HLONXIBHZHXNGQ-LJUMEUDFSA-N	554.559	6.207	50	40	KKGB	
CCO[Si](CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC[Si](OCC)(OCC)OCC)(OCC)OCC	627276276	YNANGIAQHBAVEA-UHFFFAOYSA-N	710.742	8.455	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	1529548740	MZSCGWXAWHZEPR-AHKFIOAWSA-N	697.641	6.195	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Br)c2)=C(C#N)[C@@H]1c1ccco1	1243884	SXQFJOSLXQCDNR-RUZDIDTESA-N	579.476	5.757	50	40	KKGB	
COc1ccc(-c2nc(-c3ccc(/N=C/c4ccc(N(CCCl)CCCl)cc4)cc3)cs2)cc1	1730541	XMXFIPYBAVNZNJ-UXHLAJHPSA-N	510.490	7.520	50	40	KKGB	
Cc1ccc(C(=O)[C@@H](Br)[C@H](Br)c2cc(Br)cc3c2OCOC3)c(O)c1	2344861	KYINFNHUCDGKGC-CVEARBPZSA-N	535.026	5.412	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2cc(Br)ccc2O)n1-c1ccccc1	2740383	LENQZBJOIWCBMD-NXLNKITKSA-N	599.942	5.940	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1	3090051	YYTRSVCADXXCOW-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2cccc(Br)c2)cc1	3166881	QPOQMZQBUZHONA-UXHLAJHPSA-N	515.407	6.371	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1	8448643	KXHJVLYLSRIUPS-MUUNZHRXSA-N	629.138	7.558	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(Cl)cc1	8812618	XHZGHGAEWAEBKF-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3c(Cl)cccc3Cl)cc2)S(C)(=O)=O)cc1C	20059254	BJSLXAFWFZLDMO-MZJWZYIUSA-N	504.439	5.340	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2)cc1	59856297	GGAWJYQBKMSHHZ-FDAWAROLSA-N	552.483	6.461	50	40	KKGB	
O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	97961171	HLIQMCBBUBTZQA-UHFFFAOYSA-N	576.527	6.323	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc(I)cc1	97962931	WLQSWTAEMCHRRS-KGENOOAVSA-N	580.403	5.758	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)[C@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1	98000154	XQMPEJJIHNHPOZ-KYNGSXCRSA-N	552.101	5.488	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	101558950	LWFFMRPSANNNFX-NDEPHWFRSA-N	544.076	6.460	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	102808830	RLHRCTNTSXOFBL-MUUNZHRXSA-N	543.092	6.663	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	104953835	PHFHNNLGMNUVSG-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	105586094	ACHGIZJYRQXRCA-XBQJKBNESA-N	589.717	6.733	50	40	KKGB	
CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341388	FCTYZMYRXFSNLG-VIFPVBQESA-N	872.229	12.091	50	40	KKGB	
CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341672	IGSRURMIJOPPCU-AWEZNQCLSA-N	942.364	14.042	50	40	KKGB	
Fc1ccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3Cl)CCCN2Cc2ccc(N(CCCl)CCCl)cc2Cl)cc1	150373376	NHLSXYKHTKWMGK-UHFFFAOYSA-N	709.392	9.107	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	164696253	BIMSKDKYONKZLM-UQQQWYQISA-N	631.368	7.200	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1	408538439	MWVOGFSKCHZEPB-MYYYXRDXSA-N	603.502	8.104	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1ccc(C(=O)O)cc1	408541606	GVLKRJBCPXUHBP-NVMNQCDNSA-N	625.175	6.376	50	40	KKGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C(=O)Nc1ccccc1Cl	408552055	NPJYJFZTNLSHGG-MHWRWJLKSA-N	500.769	6.210	50	40	KKGB	
O=C(COc1ccccc1/C=N\NC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(Cl)c1	408553312	NSYFPQKIPHTXRB-ULPWCQAASA-N	510.299	5.794	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1cccc2ccccc12	408567632	PBPRWRCSGNIMRM-JAIQZWGSSA-N	575.381	7.112	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1OCc1c(Cl)cccc1Cl	408611896	XLSWXSQKGLTBFJ-GOSISDBHSA-N	528.436	5.694	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(I)cc1	408711643	CQVBCVFTTAOMFE-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1cccc2ccccc12	408744935	ODXMWMNMRVOYCV-UCQKPKSFSA-N	574.418	6.886	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1I	408745070	PDERMBQNRMHHCT-ZSOIEALJSA-N	558.157	5.149	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408745793	AGOKOTPRLQPSFP-CHHVJCJISA-N	659.987	8.406	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCc1ccc(F)cc1	408748018	XCRCDSZKNQKZMH-MZJWZYIUSA-N	548.352	5.181	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(OCC)c1OCc1ccc(Br)cc1	408776594	WQNQXJHJNMQWBB-XYGWBWBKSA-N	575.503	7.488	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1cccc([N+](=O)[O-])c1	408781551	BNQKIWMCTNDHQV-NVJOKUIPSA-N	601.255	5.605	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1	408787710	FGAKTNYSNNRFQJ-XDHOZWIPSA-N	573.228	6.487	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408792523	KMPLIVUHIIHDPX-FYJGNVAPSA-N	612.420	5.366	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1C	408794035	RERNEHFXGZMMDS-DJKKODMXSA-N	632.252	6.703	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408794487	IQQRAUNRVLTWEY-SRZZPIQSSA-N	550.409	6.498	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408822523	BAZOIYSQRBESIN-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408837486	GVDPYROKIMYARY-XICOUIIWSA-N	636.170	6.370	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(F)cc1	408839235	PESITRIAJCSXIO-KULFSUQXSA-N	679.999	8.850	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccccc1C#N	408840176	YGCSDMJLIJRDOV-KULFSUQXSA-N	719.992	8.035	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408840503	BQILSRXUMFTFHM-YSYOEVFLSA-N	710.481	9.673	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccccc1	408853515	OZMVSEWGBLVJCB-RGVLZGJSSA-N	513.229	7.253	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408854342	CVECKZWPGIIKMP-XODNFHPESA-N	536.253	6.806	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(C)cc2C)cc1	408872208	BBTSHZOYNWNZCD-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408874121	YVZDNLDLNVGRES-QNVXDBMFSA-N	709.421	7.137	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1	408878447	AUHDATSWUIPEGC-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Br)c1	408879114	AVSAXZLRTCGTHG-DEDYPNTBSA-N	510.229	6.657	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cccc2ccccc12	408885115	XUKFVYWPAAVDPT-AMVVHIIESA-N	513.808	7.152	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1	408888952	AAELDISGFFPFJQ-OGLMXYFKSA-N	567.085	8.059	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1cc(C)cc(C)c1	408891648	UHLJPESITFSSED-ZMOGYAJESA-N	533.466	7.206	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccccc1F	408948699	PVSRQSALJOVZEJ-HKBQPEDESA-N	616.715	5.018	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc(C(=O)O)c1	408952775	VUKXKLCNTASDMC-QJOVZPHJSA-N	685.518	7.107	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCCOCCOc1ccccc1C	408972168	TVJVDLUYBOXEHA-HAVVHWLPSA-N	535.438	6.086	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCCOc1cc(C)cc(CC)c1	408972894	WRVSVKVFCZGPCD-RDRPBHBLSA-N	540.458	6.332	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)cc1Cl	408983071	KCEGJHBRPMZGHM-UWVJOHFNSA-N	541.232	7.061	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	408990329	KPKDSVXFENFUMY-QGOAFFKASA-N	600.641	7.097	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409000392	YTGYLLBEOUJQFL-DHDCSXOGSA-N	605.110	5.872	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2cccc(C)c2C)cc1	409026079	FQMOHPXOTOSPRV-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1OCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12	409033939	GMSXWTBDOICNTG-KVAAJVFYSA-N	696.770	8.265	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1cccc2ccccc12	409053660	NYFVKQAMGJHYCY-FJEPWZHXSA-N	537.841	6.916	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081059	FZMLFJGUORILPH-VGOFMYFVSA-N	643.743	7.218	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c1	409086266	QFTQILVXHBEBOD-OVCLIPMQSA-N	536.293	7.567	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc(Br)cc(I)c3O)oc12	409105554	LAVPPCQGEIPWKQ-QPSGOUHRSA-N	593.997	5.041	50	40	KKGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	409183092	AEMGFQIVUFVMFU-QNKGDIEWSA-N	550.640	5.159	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(I)c3)cc2c1	409186967	KGYPPKSLXZWVFD-FTCYSYDXSA-N	735.143	7.690	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1C#N	409221081	KPQGXUBGPHYMEY-HTAGGTJDSA-N	530.422	6.083	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	409310500	VILICWFAHADNAZ-PMNVOCJDSA-N	693.219	8.449	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1OCc1ccccc1	409316317	YMEHLHLSHZTOPA-QMRORBIVSA-N	658.376	8.085	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1	409324116	SGXLZQKLYSUHPG-PMACEKPBSA-N	632.842	5.240	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1OCC	409333170	JAOYVEGYEZFROH-LJUMEUDFSA-N	529.008	6.408	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)Sc1nc2ccccc2s1	409383833	JYWKKISYMIDRTQ-RQZCQDPDSA-N	548.314	8.601	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc(Br)cc1	409394488	AZXXIMYRDCSXAX-UHFFFAOYSA-N	809.534	9.521	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)[nH]c12	409395290	LYQAYFZTFGDTFJ-UHFFFAOYSA-N	760.664	8.768	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc2c(c1)OCO2	409396484	YRRGKTUSLDKWHE-UHFFFAOYSA-N	632.470	7.462	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccccc1	409396542	YXXVJTGMGQKDMC-UHFFFAOYSA-N	544.010	7.625	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1cccc(F)c1	409402052	IYTKGMXQAZNKFS-ADJDCTSUSA-N	725.409	8.282	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409404229	PMHZFYFNWBGVKA-GYJUCFALSA-N	609.035	5.922	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccc(Br)cc1	1529548284	BXSMAKRJNCKXIG-AYSITGFNSA-N	842.348	6.280	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(OCC)c1	1529549468	ZUUSECKRWSVHEN-BVIORAGMSA-N	716.054	5.965	50	40	KKGB	
O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/C=C/c1ccccc1[N+](=O)[O-]	1888034	NGWKLPLYAHLZEU-BMGPFKPPSA-N	506.034	5.300	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Br)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1901291	JMHQQVVWHSVCJK-OCSSWDANSA-N	562.537	6.545	50	40	KKGB	
N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl	2185996	GWWRJFPZIBVELU-OAQYLSRUSA-N	509.462	6.389	50	40	KKGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1	2589609	JOHTXUHJYQZQSZ-SYKZGRSMSA-N	580.688	6.883	50	40	KKGB	
Cc1ccc(N/C(SCC(=O)N2c3ccccc3Sc3ccccc32)=C(/C#N)c2nc3ccccc3s2)cc1	3271082	WGQTUNBAQRZYRX-JBASAIQMSA-N	562.745	8.472	50	40	KKGB	
Cc1ccc2nc(-c3ccc(OCC(=O)N/N=C/c4ccc5ncccc5c4)cc3)cc(-c3ccccc3)c2c1	6281466	INZJWAUPXUIRQJ-QLQYKETESA-N	522.608	6.955	50	40	KKGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc2cc(Br)cc(Br)c2o1	14131922	OCQBOWDZRYBAQN-LSFURLLWSA-N	500.574	5.774	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	19952976	PJOXINFWLKICKW-MUFRIFMGSA-N	503.546	5.174	50	40	KKGB	
C/C(=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C	96171661	NFMORMPXQITXKV-AZPGRJICSA-N	517.717	8.679	50	40	KKGB	
CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)C(F)(F)F)c3)c3cccc(Cl)c3n2)cc1	97965698	NSKWGOKAPUZELC-QNVXDBMFSA-N	538.957	6.772	50	40	KKGB	
CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(OCc4ccc(Cl)cc4)cc3)CC(=O)N2C1	98048479	BGYFVSUOICUZIN-XMMPIXPASA-N	532.065	6.537	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	100118309	UVQRZAWCOWJABH-ZXSNDDASSA-N	605.607	6.089	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	100126898	YXHVCNWEGQRQCY-STBIYBPSSA-N	610.490	5.110	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	100129635	MRGROQYAORBCNM-FDVSRXAVSA-N	559.475	5.335	50	40	KKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c2ccccc21	100221243	BBOLDMRPMVBTNE-PUHLOBNQSA-N	558.589	6.473	50	40	KKGB	
CC1(C)[C@]2(C(=O)Nc3cccc(Cl)c3)CC[C@]1(C(Br)Br)[C@H]2Br	100848624	VSGWWOPDSKISBH-HFBAOOFYSA-N	514.483	5.964	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	101736779	ZEWVOLRHIIPBCO-ZXSNDDASSA-N	560.610	6.712	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2nccs2)N[C@@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl	102420159	KEUDYZPWVHJBIR-SPEDKVCISA-N	585.054	5.402	50	40	KKGB	
O/C(=N\C(=C\Sc1ccccn1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104080387	CIEDZHJKCICPPN-JVCXMKTPSA-O	517.614	6.972	50	40	KKGB	
CCCCCC(/C=N\NC(=O)CCCC(=O)N/N=C\C(=C/c1ccccc1)CCCCC)=C/c1ccccc1	104081120	YQOPSLWEKCUJDY-CETIMPTESA-N	528.741	7.689	50	40	KKGB	
CCCCCCCCCCCCCC[C@@H](Cl)C/[N+]([O-])=[N+](\[O-])C[C@H](Cl)CCCCCCCCCCCCCC	104205781	PKZPFYJBHXBGGP-QUYQFCJSSA-N	579.782	11.856	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)c2ccccc2Br)cc1I	104401924	CCIHLCUISHFSGQ-ZVBGSRNCSA-N	613.031	5.209	50	40	KKGB	
Cc1ccc([C@]2(C(F)(F)F)NC(=O)N(c3ccccc3)/C(=C(\C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)S2)cc1	109112776	COYBCJHHDGOMHJ-GBGSTXPFSA-N	617.657	5.983	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	109644066	IBEDMKIQRKQIIY-RGVLZGJSSA-N	543.446	6.257	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	112248500	OCTXVVOYJVEKCK-OCKHKDLRSA-N	550.223	7.558	50	40	KKGB	
CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341383	TZLPRVLXXZXYOP-VIFPVBQESA-N	822.222	11.456	50	40	KKGB	
FC(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342169	UCDPIKGIZABTSH-UWTATZPHSA-N	642.009	7.752	50	40	KKGB	
C[C@]1(C(=O)N/N=C(\COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccc(Br)cc2)NC2(CCCCC2)Cc2ccccc21	150345695	LFKWUAWKLLIWAB-LERDASPUSA-N	680.731	8.580	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Br)cc1	150427517	RWAPVLBESSYTFS-MUXKCCDJSA-N	625.155	6.645	50	40	KKGB	
O=C(O)COc1ccc(C(=O)/C(SS/C(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2\C=C(c3ccc(F)cc3)SS2)=C2/C=C(c3ccc(F)cc3)SS2)c(Cl)c1Cl	150435231	ALWDXTSKOJXXNH-RIGUPBQNSA-N	976.780	13.248	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)Cc3ccccc3)cc2OC)ccc1OCc1ccccc1	408540104	NBMLROXPBAKMFO-GXBUFBABSA-N	559.062	6.598	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc2ccccc2c1	408548371	GYVSQFUUDDLPPA-JJFYIABZSA-N	556.230	8.394	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1cccc(C)c1	408550376	GQRKSJYMKXONIJ-RGVLZGJSSA-N	518.038	6.594	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552916	SGXBBDLFKWSXDU-GZTJUZNOSA-N	524.429	7.083	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408579937	LPSOUFPMLUSYCS-RQZCQDPDSA-N	582.119	8.560	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)cc1Cl	408603300	GFIYCKWWHRHUKM-LJQANCHMSA-N	528.436	5.694	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1OCc1ccc(Cl)c(Cl)c1	408606058	LGOAJWIGRGPEGK-IBGZPJMESA-N	528.436	5.694	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Br)cc1	408607730	NYPOFGIJCSDTFS-HXUWFJFHSA-N	538.442	5.150	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1	408613335	ZCIPAPKIQSCPNU-RWPZCVJISA-N	500.382	5.450	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408724465	AJFXWHBCQJVEDC-PXNMLYILSA-N	613.666	7.385	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccccc1	408741674	KHQBQRPPKDWHLZ-GRSHGNNSSA-N	631.211	5.892	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)cc1	408745407	RTLOFJQTFWAOGO-NDENLUEZSA-N	617.281	6.886	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1I	408745973	PQVBXAKKNZTLGU-ZROIWOOFSA-N	586.167	5.015	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc(I)cc2)o1)C(=O)Nc1ccc(Br)cc1	408746307	YIADIQJVKUECCA-KAMYIIQDSA-N	519.136	5.859	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408750616	PLJYNSWIEGRQNT-LJUMEUDFSA-N	733.300	5.769	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc12	408758744	QGMYHQUGFZHIEZ-CPNJWEJPSA-N	578.400	5.824	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Br)c1	408759153	YTZTZWMGZKUBQW-JAIQZWGSSA-N	641.157	8.252	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccccc1	408763109	NMLRTYYCPVYGAN-ZDLGFXPLSA-N	542.227	6.345	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408777260	XMKVQIFPXXSYSH-IBBHUPRXSA-N	552.018	6.136	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccc(Cl)cc1Cl	408783826	RMFGHSVTISTXEV-APSNUPSMSA-N	559.231	6.007	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408788543	KYQDPQAWGDODPJ-UDWIEESQSA-N	535.940	5.558	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F	408796291	OSLUCIYRUOYQCN-RQZCQDPDSA-N	526.318	5.630	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408796666	ORLBWMUPIYIMAC-GIDUJCDVSA-N	626.088	7.551	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1	408799406	ZDEXACLROZDCIB-VCHYOVAHSA-N	511.759	5.925	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2cccc([N+](=O)[O-])c2)c1	408801204	SGUTWSIJMMLTGM-LDADJPATSA-N	508.328	5.491	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	408824871	BJJCMTDFTISCJX-QLQYKETESA-N	648.141	5.295	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1	408825735	FJIFMQWLRHVBOS-XHLNEMQHSA-N	512.075	5.704	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408828900	WJYOJCIDJMUXSV-LFVJCYFKSA-N	539.975	6.952	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408832214	RQCVBAOSRFUZHG-ZTKZIYFRSA-N	629.543	10.004	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408833788	YKJHXJNRVPITFI-KEIPNQJHSA-N	609.535	6.290	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(C(C)C)cc2)cc1	408840689	HSNJXGBYBLSFRM-FABQOPTDSA-N	611.595	7.178	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(F)cc5)c(I)c4)cc3)cs2)cc1	408840714	DFHSZJGWCQUBDN-KVAAJVFYSA-N	662.528	7.949	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(C)cc1	408847287	USIXCZQMQMNLIZ-IZYHBKOJSA-N	723.036	8.862	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408867274	KDRVCANHXBTYFW-KRYQAXIGSA-N	648.710	6.405	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408867280	KFCGEEHHFHTRJW-QXUDOOCXSA-N	635.142	5.410	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408875297	IYPQPQQZNVJPFG-XZYGTATASA-N	701.039	6.743	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408876230	KECZVTDFXWQHIZ-QNVXDBMFSA-N	681.962	7.183	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408878073	ZJPNFYUMWXNLAC-CWUDWNJOSA-N	599.161	6.830	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1	408880577	JWHMVRQDULTINM-XODNFHPESA-N	541.416	5.363	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Cl)c(OC(=O)c3ccccc3)c(Cl)c2)cc(C(C)(C)C)c1O	408881829	OQOUOOAUQHQABI-FABQOPTDSA-N	569.529	7.596	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2OC)cc1	408886982	KQQPWLJSWGMDLE-CXUHLZMHSA-N	586.782	5.793	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(I)cc1	408893226	GDEKMYDVJQBIAJ-LICLKQGHSA-N	549.195	6.723	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccccc1F	408925225	QPRNWPAZDZSOET-ODNPBWNPSA-N	627.595	7.949	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1	408938249	HLFLINIRSZWWCG-QJOVZPHJSA-N	581.047	7.027	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	408943560	TWXAGMPPGSCRPI-KCSSXMTESA-N	582.509	5.914	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1	408950773	SJGMZOAUBFDXBA-MUUNZHRXSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2cccc(Cl)c2)c(OC)c1	408952531	KQCJONJLTHOGIR-VOSMKULASA-N	720.404	6.064	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408988081	GUXJOPKQYDWAGR-MYYYXRDXSA-N	571.902	8.417	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(F)cc1	409033168	NGLSQDTWUTVDHP-KMUKQRDJSA-N	554.021	7.436	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409054063	MCDORSIJBFSWJJ-RPPGKUMJSA-N	579.778	5.513	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	409065750	MUDXRQTYIAJAJB-NTEUORMPSA-N	614.674	6.317	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409068484	STKKPUIKHRYOAU-NYYWCZLTSA-N	548.109	5.239	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OCC	409075325	YTVQQCDNCCLAFP-KBVAKVRCSA-N	592.545	5.831	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(C)cc1	409126961	BVFOFLMOJUBPCI-MHZLTWQESA-N	641.550	5.960	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F	409152908	KJRNHZRKSDJUMA-ODQASSKESA-N	663.491	5.774	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409178424	HSNNFOGBSGTZKD-OCSSWDANSA-N	562.420	6.181	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	409181773	DRXJZZLNOBGINO-WCMJOSRZSA-N	558.423	6.010	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(F)cc3)cc2c1	409187837	UWIWQZRKQNDDNK-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)cc2c1	409189407	KSNNRSQDQQIUCJ-MUXKCCDJSA-N	568.380	5.854	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	409194974	RMZKGKZAHHUOOB-UVHMKAGCSA-N	531.790	5.542	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409216571	JLCQUYMBRNLAIR-MFOYZWKCSA-N	514.719	6.562	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409221751	ARUHPXSRKNDIQY-UHFFFAOYSA-N	565.582	5.358	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1	409228503	ATTMEGAYZTWUPI-OXUBWTJQSA-N	633.193	6.747	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)NCCCc1ccccc1	409230434	DEIGDNBWAROKMH-BKUYFWCQSA-N	544.276	6.991	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409251497	PDYIORSLZSPTGD-GRSHGNNSSA-N	579.407	5.546	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)c1	409253956	CPANOLXIJCNSLN-XJECJHNESA-N	675.008	8.059	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)c1	409255886	JEXSUSYSMXVFIS-MFOYZWKCSA-N	514.796	6.518	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409260304	OHGYEMQHPUPKCB-UDWIEESQSA-N	611.436	5.576	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409321800	JRDDMKAJEZMGQI-YKQZZPSBSA-N	511.018	6.269	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OCC	409323573	OMNMXZNZJDDGPE-UHBFCERESA-N	544.435	5.962	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	409325218	XWFLVJBHDYZLOI-FDVSRXAVSA-N	606.844	5.870	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc2c(c1)OCO2	409361148	GTRRLWSPJNKEJZ-IDUWFGFVSA-N	558.182	6.492	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	409364768	PGBPEGMMOIGXPR-CPDSRJINSA-N	611.307	6.885	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(I)cc1	409371254	DPBXFCJHNZVXGY-NDENLUEZSA-N	526.330	6.241	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1F	409372161	SZTVBFAGUCCTGE-SXGWCWSVSA-N	532.163	6.902	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccccc1F	409382522	OHSMQUFKHKRMLJ-ZRGSRPPYSA-N	549.194	5.132	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(C(=O)O)cc1	409385333	JNLYIKWKJBZEMU-KKMKTNMSSA-N	631.404	5.464	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395277	LWGQYCHNIADHCB-UHFFFAOYSA-N	709.733	9.560	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409395449	NRHLYOCSBJSTQP-UHFFFAOYSA-N	647.869	7.151	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C#N)cccc2c1-c1ccccc1Cl	409395675	QNBJBVXDZSSCEE-UHFFFAOYSA-N	741.223	8.530	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409396670	ZYEZZIDZDYKLDR-UHFFFAOYSA-N	730.291	8.270	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396769	AYJXZAXBKMXYQM-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1	409397395	JJDLAWCGOIFMBS-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1	1529547652	NNGIHOLPMSXYHA-TXFJQYODSA-N	734.616	5.908	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	1769472	CNYYGHUEKNCFPD-XMHGGMMESA-N	543.557	6.314	50	40	KKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21	1824524	XKIIYLBJKGTGQX-XAZZYMPDSA-N	505.456	5.181	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c4ccccc4cc4ccccc34)nnc2-c2ccc(Cl)cc2)cc1	1841849	QGSCVERJSRRCOG-JEPNHJGPSA-N	592.124	7.535	50	40	KKGB	
O=C(c1ccccc1)[C@H](Br)[C@@H](c1ccccc1)C1(Br)C(=O)c2ccccc2C1=O	2300389	XFAYQIBHWWWZRF-WOJBJXKFSA-N	512.197	5.630	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21	2348723	YQTJFDBGGFPQRS-MXNGAVTRSA-N	527.422	5.124	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	2670897	SKXAUKGUUWGEKY-XNTDXEJSSA-N	569.824	6.864	50	40	KKGB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2-c2ccccc2)cc1	3665361	KCECNIYLRIVWTD-XPGZBYHPSA-N	548.690	8.291	50	40	KKGB	
O=C1c2ccc(C(Br)Br)cc2C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21	4265572	GXWIADRFXZFIAQ-UHFFFAOYSA-N	517.815	6.864	50	40	KKGB	biogenic
C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2NC(=O)Cc1ccc(N(CCCl)CCCl)cc1	4830925	NYHIYBJOBCXRTR-KGEMVMTLSA-N	529.552	6.260	50	40	KKGB	
COc1cc([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)ccc1OCc1ccccc1	12251039	OQPCOXMGSBQKBQ-RUZDIDTESA-N	511.647	6.111	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N1CCOCC1	27021121	VEBUJLVMPMARPK-HKOYGPOVSA-N	525.008	5.537	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	33712263	BNOCMDCHADIWEG-ZMFRSBBQSA-N	502.310	5.283	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)cc(Br)c1OCc1cccc2ccccc12	33924474	CPLUOYRXOOBCAF-LSVSHXRVSA-N	521.455	6.466	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	59425740	OPDWVKYWVHDQTC-UXHLAJHPSA-N	517.423	6.273	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1	59856488	BSWMKDVVOZAHGN-XBQJKBNESA-N	619.699	6.074	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)NC(C)=C1C(=O)Nc1ccccc1	97950463	CRTKMHJLTFFMHT-LJAQVGFWSA-N	538.673	6.100	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	97951670	IOWLMHZXPSJUNF-SANMLTNESA-N	531.659	5.716	50	40	KKGB	
c1ccc(-c2ccc(-c3nn(-c4ccccc4)cc3C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1	97984660	AKHOZVFJAOZYIO-UHFFFAOYSA-N	571.684	8.700	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12	98008178	ZIENGLAACNCLCY-UUWRZZSWSA-N	558.588	6.471	50	40	KKGB	
CC(C)(C)c1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1	100074457	HZBOJZHKXAMSRD-CEUNXORHSA-N	556.526	5.130	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1Cl	100119980	MBKAHQFRJBTGEF-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	100223141	OOFJPYMKYKSVIM-WSDLNYQXSA-N	589.446	6.082	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccc(Cl)cc3)=C(C)N2)cc1	101572263	MGINRSBARYPNDG-HHHXNRCGSA-N	564.494	6.953	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528593	QJXFMTVPFPBQTC-SFHVURJKSA-N	548.409	9.884	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2)CC1	103884807	PVXLXKPNRWYVDT-STZFKDTASA-N	571.302	6.591	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	103887341	LPHBWFGRSOUOIJ-XKZIYDEJSA-N	576.288	7.798	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(-c3ccccc3)[nH]c3c(OC)cccc23)c(C(=O)OCC)c1C	106151541	BYACAPICOHEBJM-HMMYKYKNSA-N	556.640	6.286	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)ccc1OCc1ccc(Br)cc1	112265120	IZUPLVYTXFYXPD-UVHMKAGCSA-N	594.247	5.204	50	40	KKGB	
C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341152	QRMCQANSETYAOJ-GSVOUGTGSA-N	788.067	9.751	50	40	KKGB	
CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341780	WLVQYMOVZKXLJA-KRWDZBQOSA-N	934.438	14.577	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408542500	JTGGZIKUMXOAHA-LSCVHKIXSA-N	533.205	7.106	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C#N)cc3)c(Br)c2)c(C#N)c1C	408546724	OBWJWPXOINQKTN-UFFVCSGVSA-N	574.456	6.037	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCC(=O)Nc1ccccc1	408552030	RLHZNTFSOFJOFJ-OYKKKHCWSA-N	527.418	7.083	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408555839	YOLIXZHIOPOTRB-VXLYETTFSA-N	654.486	6.535	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCc1cccc2ccccc12	408598764	JJFKSSSGOXOZTJ-QRVIBDJDSA-N	565.838	8.140	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3cc(Br)ccc3OCc3ccccc3Cl)CC2=O)cc1	408608125	OOCUXQZIPCUZAR-KRWDZBQOSA-N	544.833	5.186	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408640695	BMSFGSLAKOJWSU-OKTXRAOJSA-N	677.604	6.053	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21	408655342	RONKJOMGKLSNAU-WWGKXEARSA-N	533.839	5.428	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1	408657538	UMQCTNXKPQQTJP-RDPSFJRHSA-N	524.932	5.177	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@@H](Br)c2ccccc2)c1)c1ccc(Br)cc1	408687089	UFGATKUNLQQUSA-AHKZPQOWSA-N	607.298	7.246	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccccc1	408742996	RDAQGSIOYPBUFD-YVLHZVERSA-N	593.646	6.832	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)NCc1ccccc1	408748036	XHMMYRUYENIZCC-NDENLUEZSA-N	528.777	5.747	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	408755569	QVHBAFLIVIVRRO-CPNJWEJPSA-N	511.397	5.379	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2Br)cc1	408760198	UHRZUKDLZIBFCN-CXUHLZMHSA-N	702.162	6.438	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408762207	JRGHFRBEMOOCLO-ZSOIEALJSA-N	627.256	5.986	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408766509	VAZGADWQQZPFNT-OVCLIPMQSA-N	684.262	5.284	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1	408768912	LUBFGUKGUBUXHS-STZFKDTASA-N	615.899	6.924	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	408785224	UYXNGPJNSJJRKT-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408788828	MFUHDYHXWJNDQS-LZYBPNLTSA-N	564.636	7.129	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc(C)c3)cc2Br)cc1	408789221	ONLQDCNLJJKVSB-LPYMAVHISA-N	505.412	6.453	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1C#N	408793767	GERDJRDUIXXWKF-UFFVCSGVSA-N	506.389	6.697	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)c(I)c1	408794065	RGOFFPPFTRDOCM-VCHYOVAHSA-N	546.767	6.517	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(Br)cc3)cc2Br)cc1	408795144	UQQZDWCTHSGMQW-DEDYPNTBSA-N	600.307	7.134	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(I)cc1	408797379	RLFXABCESVHDOX-WOJGMQOQSA-N	729.150	7.182	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408797424	RUOHQJOMEQXCKF-OEAKJJBVSA-N	744.221	8.520	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1	408801170	RXSPWOMMSQJLJL-YDZHTSKRSA-N	566.439	6.604	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)cc2)cc1	408822395	BEGIZMQBIKNKQS-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)NCc1ccc(Cl)cc1	408827575	KUCBNRPIYFZMKX-KQWNVCNZSA-N	580.493	6.201	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc34)cc2)cc1	408829653	OJBHJINWAOVRIK-VFCFBJKWSA-N	559.065	8.505	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccccc1	408832005	QSXYNRMEGKLXSZ-YDZHTSKRSA-N	593.894	8.359	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)cc1Cl	408836043	PNHCJZTYCPBIOC-OMCISZLKSA-N	626.718	7.560	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841647	GCVLESKSZIXRQK-PTEHHBOZSA-N	733.846	9.461	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(C)cc1	408846584	TYXKVEIFYHKBMC-ZHSUKTGHSA-N	633.490	7.257	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)cc1	408855751	CZCHLEIVVUZALL-ALQBTCKLSA-N	695.592	5.138	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2ccc(C)cc2C)cc1	408856683	DBUDHHAPFKAJPM-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc(Cl)cc(Cl)c1	408860235	XEDMONOAOCUHKM-UVHMKAGCSA-N	540.856	5.142	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	408864267	YCWULRVHBHHFOZ-GOJREDGKSA-N	650.713	6.342	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408881692	MBQARWHFPJMQNZ-RIYZIHGNSA-N	684.808	5.083	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408882889	RICQIKNCEAYLMD-QGOAFFKASA-N	572.786	6.108	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Br)cc1	408884096	SPVCWYOKRUPSBT-VCHYOVAHSA-N	624.251	7.754	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc(C(C)(C)C)c1O	408889604	HQXNEYIHXIIALO-XJECJHNESA-N	634.442	8.718	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1cc(C)cc(C)c1	408891562	SKMNRXFNTIQVGA-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)c(OC)c1	408923661	JXGDEMZNDIYJPR-RZNGARSMSA-N	777.410	5.361	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3cccc(Br)c3)cc2I)c1	408924118	OCLKOUXDHDJALY-RPPGKUMJSA-N	675.102	6.310	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccccc1Cl	408947516	NUEPIHALUCVPLE-YTTGMZPUSA-N	677.223	5.931	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)c2C)c(OC)c1	408949493	FOQVRDBWWRQLRQ-KXILHYHMSA-N	734.637	6.709	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408969697	SDVKMSFDAJVGKZ-HACRQCJISA-N	607.332	5.800	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	408970550	BEZUKGSDUCHYEM-WSAUHSMZSA-N	584.887	6.552	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408981404	AWRDSSGAFPOVHK-YBFXNURJSA-N	526.376	6.733	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1ccccc1C#N	409017410	ZMVLJBGNASJOGK-ZMGVVAQMSA-N	514.969	5.267	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)cc1	409045651	GYDIBZNHOKRZSH-CXUHLZMHSA-N	621.263	5.742	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)c1C	409048908	UNGWLHQKOCSTLI-YDZHTSKRSA-N	590.315	8.106	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OCC	409063076	GNXDJLWZYXOZIJ-UXHLAJHPSA-N	558.100	5.177	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409068578	HFPNZURMURFGKV-MHWRWJLKSA-N	562.387	5.614	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc2)cc1OC	409121255	UDXWZZFOWCDNBW-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)cc2)cc1	409127084	CSNKBCLIIUSFMK-ZCTHSVRISA-N	548.064	5.816	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	409131681	JOUFKQDXOPGSNP-JOCHJYFZSA-N	518.194	6.259	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c2cccc(Cl)c2)cc1	409136235	XXGNINAEKRIMHG-KVAAJVFYSA-N	662.979	6.589	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Cl)c(Cl)c1	409151967	CZKXHUOUUFZSNM-FJEPWZHXSA-N	593.305	6.603	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409209000	BLMSKGJXMDYBIG-AMVVHIIESA-N	549.907	7.205	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2Br)cc1	409213222	RRVRHCGUJHYXEX-UVHMKAGCSA-N	546.874	5.671	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(/C=N\NC(=O)c2cccc3ccccc23)cccc1[N+](=O)[O-]	409226691	RFNVWCQLMZRIRB-UFDVOZAQSA-N	510.462	5.039	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409229144	KHNMDBKHMLEYMJ-XKZIYDEJSA-N	588.329	7.390	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NCCCc1ccccc1	409236317	DWABBQOQJRJUFX-IWIPYMOSSA-N	500.396	5.556	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccc(Br)cc1	409238727	BJGYDQHCMNXMNM-KKMKTNMSSA-N	608.356	5.839	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409238995	YEHBBPDWLPFMSX-PXNMLYILSA-N	706.094	7.960	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409252253	RLKLBIYEGXZYRO-OAQMXIGCSA-N	753.506	9.112	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)ccc1OCc1ccccc1	409257352	OETAELANRMKLHO-QJOVZPHJSA-N	707.565	6.757	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccccc1Cl	409258758	XMYQBCUGYHOODG-UDWIEESQSA-N	629.882	6.523	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br	409262371	HDSABFLUZFCJSE-LDADJPATSA-N	508.347	5.460	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)c1C	409273534	YWNVWMQMENBZTL-YBFXNURJSA-N	572.381	6.648	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409311458	GEAKBBYFPGKRJK-DLCNMLRHSA-N	608.478	6.371	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC	409322308	JUDNYRQJWMGNJK-FDVSRXAVSA-N	526.973	5.187	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1Cl	409352689	YMSHIZQIZZFHMF-VFLNYLIXSA-N	598.268	6.138	50	40	KKGB	
Cc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)c1	409368699	IKXFASSAXQEZGC-WKIKZPBSSA-N	569.308	5.406	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OCc1ccc(Br)cc1	409382194	YYABMSSHRRAIQN-VXLYETTFSA-N	606.258	6.092	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409394689	DRCRWYTYOGEZAK-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)c1	409395954	UKOSJTABWQICSF-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)c1	409396763	AXEYHMSEEDGPGU-UHFFFAOYSA-N	501.586	6.743	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)c1	409398131	QZOOWDWRWJYHRE-UHFFFAOYSA-N	649.872	7.085	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)OC(C)C)c(Br)c3)o2)cc1	409400438	DDXZOXAXPDWZIL-ZMGVVAQMSA-N	608.489	6.123	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(Br)cc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409410060	SVTUZMOJXSAUCL-AELQKBHRSA-N	628.907	6.386	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccc(Br)cc1	1529548763	NMVHGFIZUJGYPE-LNZKYNOCSA-N	746.478	5.684	50	40	KKGB	
CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1	2362804715	JAGWZNGSIUKRKW-UHFFFAOYSA-N	641.791	10.749	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)nnc2-c2ccccc2)cc1	1812557	NHRUADRAPWDECG-RUMWWMSVSA-N	549.656	6.368	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	2279619	ITKQOZGYGWNQDW-JJIBRWJFSA-N	538.625	6.725	50	40	KKGB	
O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)cc1OCc1ccccc1	2559239	UEXYSDGTHTVURG-UHFFFAOYSA-N	520.588	7.460	50	40	KKGB	
Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Br)cc1	2777495	MEUYQXITJVELMR-XMMPIXPASA-N	507.428	6.096	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	3091992	OMBSQXSTOXIQIO-USKNDPDESA-N	567.985	5.209	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)[nH]c2cc1C	9235698	DTTKWHOPDGYDTE-CPNJWEJPSA-N	506.484	6.160	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1	9311013	PQGQUTLZDWTERX-SGWCAAJKSA-N	509.609	7.756	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	30798236	NSMBRMFKUKGMDO-ODLFYWEKSA-N	507.340	5.281	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3cccc(C)c32)c1	39983667	PJGSLDJTYJQJSW-PPOKSSTKSA-N	517.629	6.841	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1cccc(F)c1	59333300	ZSFBZWHHWLQLIX-ITYLOYPMSA-N	511.597	5.398	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1	59436898	XKOIAIZLHNRCSE-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	77293053	APKSFMCFWBVVSU-ILZQYWSUSA-N	535.776	10.126	50	40	KKGB	in-vitro
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)NNC(=S)Nc1ccc(Cl)cc1	97951564	XVDOTBNQOBHIEK-UHFFFAOYSA-N	535.526	5.867	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl	100118587	QGNRBSPJFKKQLK-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)c2C)c(C)c1	100119127	JUTVZLCDIIKSDH-KCSSXMTESA-N	563.123	6.094	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100130128	NFSZIXDAGJWPQW-GTWSWNCMSA-N	549.096	5.131	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NCCCn1ccnc1	102686999	DJWIMNQNQGHKNG-NLRVBDNBSA-N	546.606	5.567	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528677	LDYJXFDCAPMFPN-FQEVSTJZSA-N	626.470	11.300	50	40	KKGB	
CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4s3)c3cc(Br)ccc32)C1	103868067	DKWPGJMSMAYPOR-INCYBUHBSA-N	612.619	5.876	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccccc2Cl)cc1	103899903	DFBBGDQPVWPJGE-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	150413107	IYNQDRFAIXXJNC-MJXLXAJKSA-N	691.977	5.896	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	150440122	TZQTYWAEYHPJHP-IPBVOBEMSA-N	771.562	6.295	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1	216063268	YTDNNSJXEKVZDX-MUFRIFMGSA-N	545.861	6.633	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	216063947	BTLBWCMQXDQBCA-LQKURTRISA-N	603.413	5.730	50	40	KKGB	
CC(=O)OC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2	299817380	ABUHPHDFZWIMHE-WHABVZDQSA-N	540.785	7.810	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408541681	HDTLRNOKXPGXJF-IDUWFGFVSA-N	601.207	5.943	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccn2-c2ccc(Br)cc2)c(C(=O)OCC)c1C	408547394	WGXBOGNTFXQIJC-GHRIWEEISA-N	555.450	5.682	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552194	PDIYQFYWSGWTIA-GRSHGNNSSA-N	617.327	7.335	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	408568458	UTYIDIAENSRFON-MYKKPKGFSA-N	672.173	5.055	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1	408608543	HOXKPNYBYKPSJA-RWPZCVJISA-N	542.817	5.335	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)c3cccc(NC(=O)[C@H]4[C@H]5C(=O)O[C@@H]6[C@@H](Br)[C@@H]4C[C@@H]65)c3)cc2)c1	408685328	PBAYJYPOUPXKQF-SBCHOZNSSA-N	603.513	6.673	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	408710583	LWTOZFNXNVNCIZ-IPBVOBEMSA-N	617.121	6.879	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)cc2-c2ccc3ccccc3c2)c1	408724428	KFNZLJFTNYLDRF-SEBMTOOBSA-N	571.080	7.997	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1	408727828	XWEHEMMSCVCRMH-RQXXSLPSSA-N	627.542	8.312	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	408740144	IWADFFQDPLNWHC-KBVAKVRCSA-N	547.011	6.397	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408742506	ANNLEBSQKQRROA-XKZIYDEJSA-N	576.288	7.798	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccccc1	408743729	UPQQJXMUVIIRCI-YVLHZVERSA-N	549.195	6.723	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1	408744458	LGASYUNXTFFRFL-ZDLGFXPLSA-N	544.218	6.784	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1	408745535	NMQQNSIXDSEQIK-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)c(OC)c3)c2C)cc1	408746686	FRVKMMMXZVSVDR-JVWAILMASA-N	544.437	5.317	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c(C)c1	408787855	GYXCULGRWLJVLF-VXLYETTFSA-N	713.151	7.400	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1	408793142	DCJAGABRBPYPTG-CAOOACKPSA-N	625.663	7.279	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408794569	JPGXEECYTHORHL-YBFXNURJSA-N	560.275	7.452	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br	408795650	LZIARRYGQPUZQK-YBFXNURJSA-N	600.263	5.888	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br	408801051	RLADFGJXBTXEBI-HYARGMPZSA-N	545.864	7.997	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OCc2ccc(Br)cc2)c1	408824328	GUIFIUCZRXKBBG-OEAKJJBVSA-N	638.345	8.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408831921	HSTPCRWXDUVXGH-WGOQTCKBSA-N	587.503	8.404	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1	408833476	SNUJCBLMHMNDBW-VFCFBJKWSA-N	603.516	8.614	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(C)cc1	408836204	ZKLVUCBBAHVOGU-OVVQPSECSA-N	553.058	7.751	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)cc2)cc1	408837787	NPSDGFZWNGORIA-BIZUNTBRSA-N	635.540	5.121	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(O)cc2O)cc1	408845531	HPIDRNREMFIXTF-DICXZTSXSA-N	537.357	5.232	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)cc1	408846321	IQRRNFXZPLYZLY-UCMJSZAQSA-N	551.488	7.387	50	40	KKGB	
C#CCOc1cc(Br)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408849126	UUYAEDFIBKETNQ-DXJNIWACSA-N	542.433	6.000	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cc(Br)cc(Br)c1O	408855088	DFGYSGTYKHSUQZ-TXNBCWFRSA-N	611.099	5.428	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)c(OC)c1	408865005	AMSOCXUKYZNYRH-ZVHZXABRSA-N	604.444	6.264	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc(Br)c1OCc1ccccc1	408874348	BJZYRTOWDGKZAT-HNSNBQBZSA-N	668.635	6.413	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1Br	408880567	IGWANGAAKVGJKE-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1cccc2ccccc12	408882731	QLCDJVJQNXWCNI-FYJGNVAPSA-N	513.937	6.535	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(I)cc1	408884666	YACFSUAEIJOZHG-CAPFRKAQSA-N	544.348	6.209	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408885753	AFGZJFHGJKESTB-RIYZIHGNSA-N	641.681	6.087	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC(=O)c1cccc2ccccc12	408890538	VJVJWGGZCDRXLD-KGENOOAVSA-N	507.502	5.830	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1ccc(I)cc1	408900846	YAOYYWCIGKIJKR-SFQUDFHCSA-N	573.184	5.819	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1	408969921	WZGLLZQSLCXYHA-LFVJCYFKSA-N	535.040	6.294	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cc2cc(Cl)ccc2o1	409023314	JCUBNLXETKSWJX-JEPNHJGPSA-N	594.896	8.737	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409035662	PURUFDDSVYNMIX-ZCTHSVRISA-N	502.599	6.483	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1F	409055549	ZIPYJTTWPLVABI-XODNFHPESA-N	566.798	6.134	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1C	409124117	KELLPUSFLQDHEA-FDAWAROLSA-N	640.547	5.661	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1	409134520	UGJUPSAAEYLDQB-XZYGTATASA-N	656.132	5.820	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)c2C)c1	409137843	YJWBKKZIINVZMA-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	409185275	VJWUAXSQPDQIIZ-PNQUVVCRSA-N	663.805	6.222	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	409186229	ZDSVGUKSQOTMAJ-FABQOPTDSA-N	715.464	6.762	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1cccc2ccccc12	409189164	DNAXVGNMCXSVOT-HMAPJEAMSA-N	566.439	6.388	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409223797	IAKPLNJVVBSBMR-YBFXNURJSA-N	615.855	6.133	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2Cl)cc1	409259413	ZHVSDCNWSXEWMD-GZTJUZNOSA-N	633.724	6.827	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)ccc1OCc1ccccc1	409265201	RHSOZEIFHIDFCP-KMUKQRDJSA-N	586.088	6.716	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1	409265688	NUMJWBYRNPLGFX-VCHYOVAHSA-N	558.849	6.917	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OCC	409301063	CRBMGCCUTPRFJW-LJUMEUDFSA-N	529.008	6.408	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1OC	409301366	FDYSFMYTWBXWKY-QDTIIGTASA-N	580.248	6.101	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409302353	IIJZBDLZJXGLQE-MBTHVWNTSA-N	617.409	6.018	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409310557	AVUGQEFXGNBGDJ-MBTHVWNTSA-N	572.958	5.909	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1OC	409313356	IQXYOFAGFMDLHY-MUXKCCDJSA-N	516.381	5.182	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409325796	BEFQEMRNUPFJNW-DLCNMLRHSA-N	652.929	6.480	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	409382546	ORMQHYLUCVVTBF-SXGWCWSVSA-N	501.739	6.072	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	409384940	GVAZTMLQDDZZNU-VFLNYLIXSA-N	537.428	7.192	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409385559	LICQHEUAEISOEI-XKJRVUDJSA-N	670.312	7.463	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409394883	HBBKFSCDPJBCMF-UHFFFAOYSA-N	680.914	7.399	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394927	HQMYHLMUBKJJNE-UHFFFAOYSA-N	625.281	8.026	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395026	IYONSWUZGKAMEH-UHFFFAOYSA-N	799.528	10.066	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409396818	BOMBYGXSHFRCFG-UHFFFAOYSA-N	676.181	9.194	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396973	DMMQVDGMEWLVAV-UHFFFAOYSA-N	626.418	8.152	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397801	OEUUJVCMIDZHTN-UHFFFAOYSA-N	651.344	8.204	50	40	KKGB	
CCOc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409403259	MIZMIHAZWXGASU-UHBFCERESA-N	613.452	6.042	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccccc1F	409407302	ZINHIUXSOWQGLH-FRKGHFGRSA-N	694.985	8.563	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1	1529544863	RKAUXEWHGJRLPV-GCUJPOOZSA-N	717.642	6.075	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1	1529546633	GFFNGKLYWFBGIG-UUTVKSQHSA-N	763.452	5.518	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(OC)c1	1529547874	QMWZQOYCSWMHNX-MWKDUONYSA-N	793.478	5.526	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1cccc2ccccc12	1529548506	HVILYHHYSWWNIL-IFSQTIGHSA-N	648.785	6.032	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccccc1	1529548711	MJZMTMCUYYNUBD-PUUODXJESA-N	763.452	5.518	50	40	KKGB	
N#CC(=C1C([C@@H](C#N)c2c(F)c(F)c(C#N)c(F)c2F)=C1[C@@H](C#N)c1c(F)c(F)c(C#N)c(F)c1F)c1c(F)c(F)c(C#N)c(F)c1F	2362803266	WDNFWNVBLFHPPN-HTQZYQBOSA-N	674.364	7.173	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(Br)cc2)cc1	935392	RJJSDZXBCKTZFF-YDYXIROLSA-N	518.436	5.823	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	1256574	NGNCMXHJRYFWID-XMMPIXPASA-N	583.895	6.402	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1OCc1cccc(Br)c1	1854759	XUASWQCVGGQKGO-BIZUNTBRSA-N	598.526	6.518	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Br)cc3)n2-c2ccc(Cl)cc2)cc1	1872419	FHILISPSICGKJJ-MZJWZYIUSA-N	556.873	5.601	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccs3)cs2)sc(C(=O)Nc2ccccc2C)c1C	2385084	YNCSWCMCUVYQFZ-LGMDPLHJSA-N	534.688	6.956	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1Cl	3143640	GAMCDVMEYNIKJZ-ATKNFYHNSA-N	525.004	6.024	50	40	KKGB	
CCCCCN1C(=O)/C(=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)c2ccccc21	6172803	SZPZBDGIRWUUFD-UUDCSCGESA-N	552.656	5.220	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1	8396603	WEHADPSLZUZOFO-VCCRWTTESA-N	691.655	8.005	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	19926450	IMJGMQPKPQUJFA-WPWMEQJKSA-N	520.438	5.046	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	19940202	VLQDTDQPTHIEOL-AREMUKBSSA-N	514.676	6.072	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)OCc2ccccc2)=C(C)N1	20347809	REYJHSJXDLTUSJ-MHZLTWQESA-N	513.619	5.653	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1C	28217186	CJHPWOYPRCFUFP-STKMKYKTSA-N	505.666	5.489	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCCCCCCC1	59435868	VFVFTTPNVNCKMD-UHFFFAOYSA-N	518.123	6.308	50	40	KKGB	
CCCCCCCC[C@H](I)[C@H](I)CCCCCCCC(=O)OCC	72266773	OSUWTUZVEDSJAZ-RBUKOAKNSA-N	564.330	7.638	50	40	KKGB	in-man
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc(C(C)(C)C)ccc2O)cc1	97959006	SJUJPZBIBKVSAJ-NOQFOOTOSA-N	547.099	6.111	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1	100104498	CTIOJIIJSOKRBV-VTNSRFBWSA-N	586.928	7.115	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl	100129326	SBUMYUXNOZVCEC-ZMGVVAQMSA-N	603.959	6.396	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1C#N	100176794	GJMYKWVGSKZHLT-QFDQHJFZSA-N	622.303	5.594	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(C(F)(F)F)c3)n2-c2ccc(OC)cc2)cc1	100184244	IMMWXGYYMWWPPG-VTNSRFBWSA-N	569.609	5.993	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cn(Cc2cccc(F)c2)c2ccccc12	100221278	UTUZDRKLKADIBC-ZHSUKTGHSA-N	551.569	6.740	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3cc2O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	100225384	XWDVINSOUADYOK-BVMLUPFRSA-N	539.466	6.427	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1Cl	100226564	DWFHSRGWOPZXBD-MTJSOVHGSA-N	586.857	7.085	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)O[C@H](c1ccc(S(C)(=O)=O)cc1)[C@@H](CO)NC(=O)C(Cl)Cl	100867194	ROGLXKYZAOFGQO-AOYPEHQESA-N	594.642	6.437	50	40	KKGB	in-vitro
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(Br)cc2)cc1	100989399	DYDWSGLLWQSWTQ-YMGIJWJESA-N	536.426	5.962	50	40	KKGB	
COc1cc(Br)cc2cc(SSc3cc4cc(Br)cc(OC)c4oc3=O)c(=O)oc12	101350020	AIGZMKFMTIDIPU-UHFFFAOYSA-N	572.252	6.241	50	40	KKGB	
O=C(N/C(=C/Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	102618565	LTKWQJFMVROUKY-MKCFTUBBSA-O	551.071	7.655	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	103883789	BJWUCXLIVKQIFP-OFWBYEQRSA-N	541.655	5.801	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)S(=O)(=O)c1ccccc1	103898100	QHLLSUGSPSBDKM-AJBULDERSA-N	544.677	5.147	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1	112254302	FJRZPASQIKJAQJ-AUJFUKTPSA-N	621.049	5.152	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc([N+](=O)[O-])cc5)(c5ccccc54)[C@@H]3C2=O)cc1	112254999	PSDBJVRDEVCGPS-CEHZGVDQSA-N	614.658	5.279	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	164812004	ATDFQAXRDDJPIM-RQXXSLPSSA-N	654.188	7.477	50	40	KKGB	
C[C@H](CCC(=O)N/N=C1/C(=O)Nc2ccc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253497795	UKBJVLJEAXCAFE-KIKAOSJQSA-N	570.174	5.519	50	40	KKGB	
C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O[Si](O[C@@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)(c3ccccc3)c3ccccc3)CC[C@H]12	263593268	BBEQKIUJQPOHPG-FLADHKFCSA-N	757.144	10.077	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539737	YKDVVZHXHAGKAV-WGOQTCKBSA-N	602.609	7.816	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)ccc1OCc1ccccc1	408540148	NSVCSIXPIZCMMC-QQXSKIMKSA-N	569.057	7.451	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(C)cc1	408550677	IWRKOCNPZZYKAG-RGVLZGJSSA-N	518.038	6.594	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553012	UFPPNYKBCVDGDR-LICLKQGHSA-N	589.273	6.718	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1ccccc1Cl	408566516	HDVBQFPAGUBFOE-KBVAKVRCSA-N	551.868	6.926	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1	408570394	ULYLQDFDZHWHQW-BRJLIKDPSA-N	537.888	6.370	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(Br)cc1	408578794	AZFSPMSKBVWDND-RGVLZGJSSA-N	528.830	7.162	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408598969	MKJHGUKLBVDLBC-VCHYOVAHSA-N	537.395	6.478	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408646891	JBDMFFHYXPQUIC-PTGATOOUSA-N	759.791	5.485	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408654371	QKCYELUDJLHINN-LGJOHJSGSA-N	793.690	6.340	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408659074	VMTAXRPZZPEQDU-CYJHHTLLSA-N	643.954	7.123	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408676148	AEINXGAGKBOMPE-ZYGGUILKSA-N	634.108	5.381	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408725149	HSVYWHIABHCXOA-MFOYZWKCSA-N	627.693	7.775	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1)S(=O)(=O)c1ccccc1	408728730	SCOKQJXAFAFWJU-FDAWAROLSA-N	562.047	5.506	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1OC	408742185	NSGBKQMNFWNHGM-FADJLKOXSA-N	641.509	7.587	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)ccc1I	408747737	SGBANOTZFZOBJP-KKMKTNMSSA-N	585.276	5.783	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1cccc2ccccc12	408756410	RDHCFJIORGIBMT-SEBMTOOBSA-N	566.742	7.811	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	408759614	IAACVNVCGHKDEF-PCLIKHOPSA-N	599.481	7.302	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408761538	GNCLDWYESXQOSR-RCCKNPSSSA-N	543.557	5.460	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408762267	JWVPHIVCAORASS-IUXPMGMMSA-N	587.224	6.253	50	40	KKGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1ccc(I)cc1	408768158	UHNKAVOPQLPZGU-JMIUGGIZSA-N	560.395	5.887	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408771072	FHGNLVLSEKBQEV-FJEPWZHXSA-N	553.990	5.412	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(Br)cc3Br)c2C)ccc1I	408772690	QMCHPNJVNGBFCU-RAWMCFOBSA-N	645.133	6.061	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	408792764	CMJVXUSXYZCCKE-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408793938	HJZFSIUJKRIGOS-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1C#N	408793951	HKXHMZYQHPCPMT-KEBDBYFISA-N	583.813	6.340	50	40	KKGB	
COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408795572	LORSODIIMXNHRC-NYYWCZLTSA-N	657.029	5.300	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408796379	OTEAWRUESQBQEP-DJKKODMXSA-N	617.827	6.685	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1cc(OC)ccc1OC	408799985	MITTZYYFILXLPX-DEDYPNTBSA-N	506.986	6.189	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408809260	KWSNTGYOBXOXOB-HYARGMPZSA-N	604.444	6.895	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408810604	JFNJYVBUOGEXMW-OEAKJJBVSA-N	541.003	6.722	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(F)cc1	408812295	OHQVGAPVZDYVRP-BIKKEBSBSA-N	622.538	8.426	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)COc3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408823675	OJTQHEPNTWUOBO-OCSSWDANSA-N	552.052	5.162	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408827435	CXYSDUYTTMUCEA-MTDXEUNCSA-N	637.563	9.557	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Cl)o2)cc1	408827897	KYQGLTCUKBSKMX-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408831074	PLPUJVGFLZJSJW-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1	408832324	XYRNQKUNZHOEDV-QPEQYQDCSA-N	517.756	5.040	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)c1	408834864	XDLPNPBIDVFRQX-BJUCDSOZSA-N	659.548	5.392	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1	408838671	GZEHIFPGZFOEOW-ATZGPIRCSA-N	613.051	7.007	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408839606	UQTNPCATOHQOKE-XJECJHNESA-N	754.006	8.462	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(CN2CCc3ccccc3C2)cc1	408840488	GOONCQMRUSHFSO-HPNXWYHWSA-N	525.652	6.741	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1cccc2ccccc12	408841964	HJYGVMWYJHCKHR-JOXMEQDKSA-N	712.069	9.864	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C	408844578	KINHQVDVZLPYCC-KCSSXMTESA-N	540.689	6.368	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4ccccc4Cl)cc3)cs2)cc1	408848893	WXZKFXBJZUQBHZ-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Br)cc1OCc1ccc(Br)cc1	408853610	QHLKWYXZDJNMGG-VTNSRFBWSA-N	625.361	7.361	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(C)cc2C)cc1	408860323	YVZVCBGDMIXZCF-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408870721	XDPOPHMVCYQDRN-ALQBTCKLSA-N	650.595	6.308	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1	408883469	RDVXOVFZZFFOCR-MZJWZYIUSA-N	593.805	5.523	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408883623	QLRQZNGFDADTMY-KPGMTVGESA-N	643.947	5.431	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408885679	DSHROHAHEMNSNS-LZYBPNLTSA-N	591.643	6.898	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1Cl	408898165	VIEVNYHNLYAOSB-LUOAPIJWSA-N	589.644	6.603	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1	408921096	CYXJFIPVCWSXNE-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1OCc1cccc(C(=O)O)c1	408933572	BKGUBEBCJSVJIK-WKIKZPBSSA-N	523.339	5.245	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408948873	RQPNBDWBRJMBNP-CLHYIUPASA-N	702.524	6.986	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(C)cc1	408956750	YGZNBYODBAFDMG-QRVIBDJDSA-N	591.449	5.934	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408968918	CUMAEQUTJJDOSR-UJMYZVOXSA-N	635.386	6.436	50	40	KKGB	
CCCOc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408972548	VCXDWQVRTIKTMD-BRVKXLECSA-N	572.489	5.436	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408973444	SIRVJPSWMWFANL-YWNCOAFESA-N	669.403	6.980	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408981369	AXQQNYFPXZYMSL-ZDLGFXPLSA-N	526.774	6.444	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408997126	RIEPMEINBXHTGM-LJUMEUDFSA-N	506.433	6.673	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)cc1	409004690	YCLOCXUTAWRBDV-VTNSRFBWSA-N	651.311	6.456	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409007433	OTGYZPKUYRSEGX-UUYOSTAYSA-N	655.387	7.407	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1	409010627	CUXDPKWKEFNZBO-VNODALHLSA-N	567.492	6.739	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	409033611	MIGIJXWMJBGILM-WKULSOCRSA-N	525.461	7.413	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccccc1F	409036813	MBLRBTZXRLAQHP-HQDYHJHZSA-N	584.445	7.155	50	40	KKGB	
CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(OCC)c1	409091044	OSFJCSAIAGTEKL-MTJSOVHGSA-N	527.358	5.892	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)c2ccccc2)cc1OC	409116394	UXVVVANFRNSTQE-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3Cl)c(OC)c2)C2=C1CC(C)(C)CC2=O	409136030	VYSLQYWXUMPSPC-SANMLTNESA-N	522.045	5.310	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409140007	CJIQUFXSVGLSGK-RUZDIDTESA-N	540.035	5.449	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4ccc(Cl)cc4)cc3Br)cc2c1	409187125	MKOOQCFRYJPOCA-MNDYBZJGSA-N	571.855	6.989	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(I)cc1	409189110	CVKYKHMATZWGLP-WQRHYEAKSA-N	550.824	5.888	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(Br)cc1	409192450	CTAUHCUNYGGWRW-WQRHYEAKSA-N	503.824	6.046	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(C)cc1	409211622	NGNOCEGCIXVBEI-UVHMKAGCSA-N	533.875	6.241	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccccc1	409230707	FOFBOUAUWRRRKT-VRKJEAOJSA-N	703.145	7.566	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409251782	BNLVNKRSWUQJBZ-UNOMPAQXSA-N	568.855	6.373	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)ccc1OCc1ccccc1	409251990	AZFHEJKIORXSLH-WBIBEUCMSA-N	660.565	6.834	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1C	409256822	QDWCVAHJZFZIOZ-DZELJBCFSA-N	510.421	5.692	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1Cl	409272368	YHRCKZWDNYBKPV-BCHBDCPOSA-N	535.771	5.645	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1OCC	409316703	MBMNQCCXZHKFBH-FDVSRXAVSA-N	674.795	6.584	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccccc1	409320786	CTEQJZLIRPLEKH-HQDYHJHZSA-N	607.476	6.917	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC	409326988	PPPJPJCFYQJLGB-MNDYBZJGSA-N	649.869	5.308	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	409373678	SMAGTILFPFEBPX-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)[nH]c2c1	409391510	JKUAOLBOADJZBB-PXNMLYILSA-N	618.123	7.502	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)c1	409395811	RZNYVPBJGALROS-UHFFFAOYSA-N	604.863	7.681	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1	409396547	YZCJSUUXRNTZFY-UHFFFAOYSA-N	507.977	6.780	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc5c(c4)OCO5)c(OCC)c3)c(-c3ccccc3)c2c1	409397711	NCJPMCGGBQJZJZ-UHFFFAOYSA-N	591.620	6.344	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397773	NXHBSGOODLSZMW-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(Cl)cc1	409400377	COJKVUTUUPAHOB-WBIBEUCMSA-N	614.098	7.280	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Cl)c(Cl)c3)o2)cc1	409401146	GPCABJLYHLZGKB-HTVDVWKISA-N	712.384	8.587	50	40	KKGB	
FC(F)(F)[C@@H](Br)COP(OC[C@H](Br)C(F)(F)F)OC[C@H](Br)C(F)(F)F	1083812459	DAGQJRFNRBCFAT-ZLUOBGJFSA-N	606.836	6.241	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(OCC)c1	1529548618	KAWINCRQQLNREX-IZQZZFRNSA-N	699.599	5.451	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1749706	XNCMKEDVPBPLJN-FMFFXOCNSA-N	549.700	6.636	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1OCc1c(Cl)cccc1Cl	1783721	PZJJLLKOOZUIOZ-FZZNPWPASA-N	585.513	5.943	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1cccc2ccccc12	1820300	RPEWXXKHXDHVAU-STBIYBPSSA-N	504.059	6.499	50	40	KKGB	
C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C(=O)OCC)c1C	2361678	DKADBNGTTLFDNZ-UYRXBGFRSA-N	507.637	6.293	50	40	KKGB	
O=C(COc1ccccc1Cl)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	3038235	AHQCBXFAILRLMU-LUOAPIJWSA-N	584.623	5.752	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2cccc(Br)c2)c1Br	3059794	OXOYZIXDAPLRBS-NUGSKGIGSA-N	547.085	5.935	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cc(Br)c(O)c(Br)c1	8436977	DNRYLGPGOSDTJW-LIMNOBDPSA-N	609.521	6.841	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	9057655	JJAPFYHEFXTGAI-VWLOTQADSA-N	519.026	5.948	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc([N+](=O)[O-])cc1	14151829	FFNDNHPZJNASKL-XDHOZWIPSA-N	514.563	5.540	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCc2ccccc2Cl)N1	20347838	KTLSFMRBGVSFSM-SANMLTNESA-N	521.469	7.366	50	40	KKGB	
O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	26571004	IVTFOJYMDTWXRH-KCSSXMTESA-N	520.460	6.946	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccccc1C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	58916728	TUVCFFDUGDBKHI-YMFOOSGCSA-N	516.110	7.249	50	40	KKGB	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)cc2OC)c1	97982485	KFIONGUKGOGCQA-JEPNHJGPSA-N	733.652	5.816	50	40	KKGB	
N#CC1=C(N)Oc2c(c(O)nc3c2sc2nc(C(F)(F)F)cc(-c4cccs4)c23)[C@@H]1c1ccc(Cl)cc1	98006324	DMZHPFDQYDTXCQ-MRXNPFEDSA-N	556.978	7.169	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1cccc(OCc2ccccc2)c1	98048423	WONIIQQJGROWJJ-DEOSSOPVSA-N	532.463	6.248	50	40	KKGB	
Cc1ccccc1C[C@H](C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1	100105364	RAVVKLOEGHGNKB-ZCGOLBPFSA-N	532.394	6.402	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)c1	100122963	NELFXELLYQCFJQ-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	100125895	RADTXBHIIBGRTR-OCSSWDANSA-N	539.032	5.232	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1	100232845	VAHIYYNFLKWCQQ-NDENLUEZSA-N	525.830	6.934	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	100314014	HJWQTRQKCFJVDB-BIZUNTBRSA-N	578.090	5.658	50	40	KKGB	
C[C@]12CC3CC(C(=O)N/N=C/c4cc(Br)c(O)c(Br)c4O)(C1)C[C@](C)(C3)C2	101055058	FNQGYRPFUFAGIT-IDSVTZPBSA-N	500.231	5.070	50	40	KKGB	
CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1Cl	101372703	JQDKMUUCTZEICT-HSZRJFAPSA-N	527.429	6.551	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)sc2c1CCCC2	101749214	BYVBPMWNIWURPC-NUJZUDFISA-N	568.493	6.484	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc4ccccc34)NC(C)=C2C(=O)Nc2ccccc2)cc1	102187639	RXVZSNDGEYTDAD-JGCGQSQUSA-N	574.706	6.945	50	40	KKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3I)o2)c([N+](=O)[O-])c1	102933224	GNAGWRZPAYQAFA-JLHYYAGUSA-N	515.263	5.014	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	103886969	MGJWGHLGJWKZJM-SXGWCWSVSA-N	553.325	5.921	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc2ccccc2c1	103890672	KRUHAGDMXLAFBQ-XKZIYDEJSA-N	596.308	8.432	50	40	KKGB	
O=C(c1ccccc1)[C@](O)(C[C@@H](c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104133475	WVPFXPQQFREMBI-HHDOLNPSSA-N	578.692	7.615	50	40	KKGB	
CC1(C)O[C@@H](CP(=O)(c2ccccc2)c2ccccc2)[C@H](CP(=O)(c2ccccc2)c2ccccc2)O1	104224851	KZUJPJPWSHHJRQ-KYJUHHDHSA-N	530.541	5.535	50	40	KKGB	
C(=C/C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)\C[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104387522	SEOFWCIVUTYTPZ-FMQUCBEESA-N	580.692	6.995	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	150343863	RXDXLTZFJCWRKW-DVIGQUAASA-N	858.412	6.994	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(C)cc3)cc2OC)ccc1OCc1ccccc1	408539196	FNEPXRJKRMDAGA-FZKWRIDDSA-N	559.062	6.978	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408553420	YXGGNKTYMXSVTI-DICXZTSXSA-N	514.452	8.917	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408598546	CWELZFNHZPMTIY-IPPBACCNSA-N	672.732	7.190	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(N2CCCC2)cc1	408677942	WDLGRJKXLUGWCO-KCSSXMTESA-N	562.895	7.199	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408724668	DKMQCBIFPQFICI-NDENLUEZSA-N	617.281	6.749	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccc(Br)cc1	408726862	WAGVWUSXBHOGHC-BKUYFWCQSA-N	631.308	7.139	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)ccc1I	408746551	FCKINKIMFSGUIO-KBKYJPHKSA-N	783.098	5.760	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc2ccccc12	408754497	NQUXAAKVLVUMPZ-KVAAJVFYSA-N	632.420	7.134	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408772719	HMFMYGBLUSCODA-PXNMLYILSA-N	550.211	7.028	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408773530	RGFSWYOFZYQPNW-MFOYZWKCSA-N	564.238	7.418	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2cccc(Cl)c2C)cc1	408773896	UEPLHINPZAPWHP-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408778425	FWEUBTIJYMCJGL-BKUYFWCQSA-N	617.371	8.125	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408784940	WWTBPLQQCOFDBA-STZFKDTASA-N	524.448	6.973	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408789254	HVIAHDYGWICMIK-GIDUJCDVSA-N	648.111	8.038	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408789363	PEKLSYBGTFTHJU-CIAFOILYSA-N	550.409	6.498	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Br)cc1	408792824	LNKZPCICBFFPAI-RQZCQDPDSA-N	542.773	6.144	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408805632	BDSHWESEWJKLKO-FYJGNVAPSA-N	543.417	6.750	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1c(C)ccc2ccccc12	408806217	BEVPMVNXHPIMIF-BUVRLJJBSA-N	602.472	7.585	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)c(Br)c1O	408814138	RRVWHOCGOIYHOY-FDVSRXAVSA-N	583.280	6.456	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1cccc(Cl)c1	408821337	GIXZQFVDWFVBQB-YDZHTSKRSA-N	638.345	8.468	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(OC)cc1Cl	408821755	AOWCYTVNETXINE-CAOOACKPSA-N	602.825	6.161	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408824931	BMLHTMKMPQHLKK-FNPFAXKTSA-N	534.237	6.507	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408835667	XVNKOACQQKRVAU-JJIBRWJFSA-N	573.874	7.806	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)c(OC)c1	408840536	ZDMUAVIZVOLJDI-XODNFHPESA-N	572.868	6.351	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccccc1C#N	408840564	CIXGRIMFZMCPBT-ROPCREHHSA-N	565.577	6.058	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1ccco1	408842048	ICXDLRSIROKUOS-ATZGPIRCSA-N	602.068	7.090	50	40	KKGB	
Cc1c(Br)c(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1	408846617	QORQIBNBIMDKTP-WJDWOHSUSA-N	524.178	7.702	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br	408847744	OLOIZOUKQUUYMZ-QDTIIGTASA-N	553.210	6.172	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2I)cc1	408848667	XQDHXPQHFZAEIR-IIHBXENTSA-N	729.360	7.853	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)cc1OCc1ccc(Cl)cc1Cl	408854635	JMMPUMXJFKUETC-ULTCEKQJSA-N	649.247	7.353	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Cl)cc1	408861479	BGFGQUNMYWIVOY-JEPNHJGPSA-N	665.168	5.630	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408864684	YEOVUSVIHDBHGO-HNSNBQBZSA-N	572.731	5.682	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408881856	KSPPQKYKZWXXFY-JEPNHJGPSA-N	618.542	7.071	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Br	408888728	ZRHXSJYLCTUHEY-OKCVXOCRSA-N	594.388	7.160	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Br	408897069	QITDWQBSRCENRU-RIYZIHGNSA-N	521.165	5.539	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1	408922092	DZSCCBSBZQRJPS-NNLKUIAGSA-N	657.524	7.718	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cc2)c(Br)c1	408925895	USZCGAJTYXMUEV-VFCFBJKWSA-N	744.443	9.562	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccccc3)cc2)c1C	408953314	XLKDINVMGWWASS-UUWRZZSWSA-N	651.789	5.558	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)c(OC)c1	408958004	XBKLWCGNTGJXDF-OLDUKCEXSA-N	838.437	5.512	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408969389	NBBSOKXTLPZRDS-JSFOSYAGSA-N	678.395	6.234	50	40	KKGB	
C=CCn1c(C)c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc21	409017884	WBPLAAWRHDAHPS-BRJLIKDPSA-N	562.205	6.013	50	40	KKGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2c1	409018126	XOQPNWJYPDSSJV-HWLOXFRGSA-N	551.646	7.746	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccccc2F)c2ccccc12)c1cc2cc(Br)cc(I)c2o1	409021029	XBKFNVNWKXWMFG-XKJRVUDJSA-N	616.228	6.706	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccc(I)cc1	409022237	KKHJEXMIWJSQEG-NVJOKUIPSA-N	639.671	6.805	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1Br	409024810	HPFPKPDTMIIDOV-VGSHQSRASA-N	609.546	5.954	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409029557	ASNSFRURZUXPHL-MNDYBZJGSA-N	611.290	6.133	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409030753	HSOIIWOQFWFANK-ATZGPIRCSA-N	662.407	8.422	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1cccc(F)c1	409031446	GSWFKLODHOJMEY-HQDYHJHZSA-N	584.445	7.155	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409041029	IZLBRCHYWHMFHM-OHUYPAJKSA-N	570.874	7.661	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c1	409049729	YBYCZDDDNRZUNU-VCHYOVAHSA-N	571.225	6.553	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1Cl	409050861	BNQXIPUJXPVPEC-LUOAPIJWSA-N	648.641	6.340	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)Cc2c(Cl)cccc2Cl)cc1	409057218	JXLYWOHCWIODEN-WKULSOCRSA-N	532.493	5.766	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1	409073364	YHTLYQBCGWNSRX-SFQUDFHCSA-N	517.390	5.705	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C2=C1CCCC2=O	409138369	AQBSXYILIUUHLO-NRFANRHFSA-N	682.256	5.113	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409143423	GLGQOWXOHJYEMF-VULFUBBASA-N	579.232	5.795	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1cccc(C)c1	409210758	KYXUAULCWDSUSC-UVHMKAGCSA-N	533.875	6.241	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)c(OC)c3)c2)cc1	409218823	HJAPGOIJGANJPL-UHFFFAOYSA-N	537.572	5.248	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1	409227464	YXRLCFBIZOGFAP-YSKMBNSKSA-N	711.794	7.509	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(I)cc1	409246152	FTUWXWZNVCDUKI-UGHLTKRUSA-N	592.477	6.782	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1	409247988	JFINPGCTDHDRLW-IWEBCOIVSA-N	574.700	7.228	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409250407	LBGFSYOUBZIBTO-MBTHVWNTSA-N	524.415	5.246	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409252268	CYOAGQAGTJZDPI-FQTKLMGGSA-N	605.316	6.237	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409262037	CDEPIEYUTDDAAT-JAIQZWGSSA-N	673.891	6.002	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)cc1	409272518	QVAAASSRTZIHDI-IFBDVWKUSA-N	526.420	5.474	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409309522	IRNZXXWJQCHDRG-LQNQUEJISA-N	595.501	6.111	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409310492	VGKLIYKDVFVMMA-NKHVPTTDSA-N	674.426	7.529	50	40	KKGB	
Cc1c(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)sc2ncnc(N)c12	409331025	BWEXHEUWGPEVBH-MWBNBJEGSA-N	528.641	6.471	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	409337114	XAKPBRNEVARPGS-MWLSYYOVSA-N	509.990	5.227	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OCC)c2)cc1	409361225	BDOFGBPMRFACKO-CPNJWEJPSA-N	582.426	5.949	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409364183	NIWGBBGFMLJPSC-IPBVOBEMSA-N	630.562	6.769	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1cccc(F)c1	409373287	PSDRYFOIGZABKT-FJEPWZHXSA-N	537.385	6.102	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCCC1	409373680	XZFSWQVTNWXTLE-NTEUORMPSA-N	510.266	5.698	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4C#N)c(I)c3)[nH]c2c1	409374278	LECPROPIWLZXGH-JAIQZWGSSA-N	516.342	5.991	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)[nH]c2c1	409374722	XMZQQDLBSXUNLH-MFOYZWKCSA-N	513.222	7.584	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	409379323	WDONKFMMIBSMQM-YVLHZVERSA-N	570.827	5.683	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OC)cc1	409383393	XHZMDJQWFVMVOJ-XDHOZWIPSA-N	505.958	5.229	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCC(=O)OC(C)C)ccc4ccccc34)o2)cc1	409401882	IMZSHEKQRGBBDF-KMUKQRDJSA-N	579.653	6.514	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)o2)cc1	409405313	STPOLAWCSRBCKO-RODHXAHZSA-N	622.936	8.569	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCc1cccc2ccccc12	1529549461	ZOIHARHRWBCZEX-FBZJHIGRSA-N	643.165	5.957	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1	1762553	RWJKUBPHBUGGFC-AMVVHIIESA-N	519.451	5.423	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc(OC)c1OC	2696086	ZLAYTRYLUOUVHD-WKULSOCRSA-N	552.056	5.164	50	40	KKGB	
CCCCCCOc1ccc(/C=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1	3220863	FSTRUKUSFXKPJB-RUMWWMSVSA-N	541.673	6.272	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccs3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	3664912	ZUXHTSCTXMCWRV-NRFANRHFSA-N	507.681	5.806	50	40	KKGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1	9010125	VOMJABLLAXJBNQ-FXBPSFAMSA-N	506.628	5.302	50	40	KKGB	
COc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(F)cc3)=C(C#N)[C@H]2c2ccco2)cc1	9471283	ASWQSJKXPJRTFM-VWLOTQADSA-N	518.570	5.134	50	40	KKGB	
COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3ccc(C)c(Cl)c3)CSC2=C1C#N	9693468	FYFZPISPEVLUSF-INIZCTEOSA-N	504.837	5.639	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br	12555919	KMBUQSUTPKNXBW-NTUHNPAUSA-N	509.154	5.373	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	14361452	HLAMYPODVHXWJG-XZFZACJQSA-N	515.532	5.333	50	40	KKGB	
N#C/C(=C/c1sc(N2CCCCC2)nc1-c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1	33907032	MSACYGJXWVLXHS-ATJXCDBQSA-N	523.666	5.282	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	35341375	XETOXYIRMNVVTB-RPPGKUMJSA-N	500.363	6.459	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	59245241	FVDLDCYMZNTJJG-GZTJUZNOSA-N	512.747	6.135	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c(C)c1	59651982	AIKICWMIPBNVJF-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccco1	98001735	OICQCAKOBSKBGV-MWRNPHMMSA-N	758.837	6.840	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccc(Cl)cc3)=C(C)N2)cc1	100101439	JVJQOBZIHWNMSI-NDEPHWFRSA-N	543.092	6.609	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)c2C)c1	100123063	QPIXPBMNJZGGMZ-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1	100405724	JNTIAGQSUUNQPD-XODNFHPESA-N	574.806	5.467	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)cc1Cl	101572448	YAJRFXDNXAGEHC-PMERELPUSA-N	570.114	7.028	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1	102060085	LGADEXMVFNFOIH-LGJNPRDNSA-N	525.428	5.155	50	40	KKGB	
CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527829	RUTFCZGADWWYHV-SCSAIBSYSA-N	552.059	6.964	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)ccc1OCc1cccc(Cl)c1	104052546	JIOPWPDYTCYCAA-WCMJOSRZSA-N	513.981	5.581	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	112255997	MVUIVXMDQGEBJQ-RPPGKUMJSA-N	593.228	5.567	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341940	BHODTRDOJAWLPT-OAQYLSRUSA-N	990.546	16.137	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	150370519	KYWXRTYUEVDGHZ-XJECJHNESA-N	636.479	6.937	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	162483615	NSUGLWBBCXOCPL-NNLKUIAGSA-N	719.057	7.850	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C	196003518	MILYVWHUDKCSIS-JVDXJGRDSA-N	924.727	18.718	50	40	KKGB	in-vitro
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539348	VRZCGXYSLROYIH-PMHDSTOGSA-N	719.263	9.536	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)c1	408544845	XWJCEILZWRSSLN-NUJZUDFISA-N	530.378	5.749	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408555836	YNCXYFMSQHSTPP-NOPDUFPGSA-N	715.446	8.957	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccc(Cl)cc1	408566559	AMOJTIAAWRHMFL-PXNMLYILSA-N	512.766	6.770	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1Cl	408642800	FGALARMSKCQUEJ-BBCKRIEKSA-N	698.022	6.318	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	408674018	XCSCBNXVDPONQL-VPUSJEBWSA-N	642.289	7.698	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	408723477	WCKOVYJTPGENSH-KWRNATMASA-N	546.026	5.236	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408726970	XFUGDJGGSGWINV-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1	408744803	NBEGUOOTNYDLBU-JWGURIENSA-N	523.549	6.134	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1	408746135	XMPSRYIMFZEMMQ-JMIUGGIZSA-N	506.787	6.407	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408746804	VVTOTQGMJHRWDK-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2I)c1	408747797	TVNRWWQCHVQLTA-XKZIYDEJSA-N	508.359	5.402	50	40	KKGB	
CCOc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(I)cc3)cc2)cc1	408760401	YBOZXBMXTQMQFJ-CYVLTUHYSA-N	567.383	5.253	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1	408763325	SAUPTSGVQFLLMI-JVWAILMASA-N	533.656	5.460	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408779072	QFDPTNYLIKRUFM-MWAVMZGNSA-N	537.682	5.045	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408788598	LMLCZWHFHUGVAD-GZTJUZNOSA-N	532.740	6.208	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408790800	YWWOKGXTQGYSEW-KEBDBYFISA-N	529.851	7.787	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408790962	SFFOOJDEQPUFNC-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408794750	JCXTUMZJXYJTHX-RQZCQDPDSA-N	619.209	5.582	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408796964	PYRDRXSHMUZFDZ-FRKPEAEDSA-N	624.218	6.639	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1F	408797531	SKSIPCDVCNNZOX-UDWIEESQSA-N	556.375	6.262	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1Cl	408812708	PKJOGSBSTQQYQN-JLHYYAGUSA-N	504.757	6.706	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(F)cc1	408818663	QAFXNHPNHUQVHU-WQRHYEAKSA-N	513.338	6.251	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408818724	YSEKJOULETVMIK-XSFVSMFZSA-N	503.385	7.280	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408827159	GFFAJBXQWBXURK-HNSNBQBZSA-N	636.568	5.999	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc(Br)c1OCc1ccc(C)cc1	408829512	LFBKXOITSBCZNN-SEBMTOOBSA-N	641.610	6.427	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1OCC	408837766	NDYVUBTXSIMLBJ-STBIYBPSSA-N	562.475	5.303	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838357	DRROQNPFJDZENM-SAEPALGJSA-N	668.016	9.466	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1cccc2ccccc12	408840644	ZRBQMNUSMVXYGL-LALXJTNGSA-N	691.651	9.519	50	40	KKGB	
CCOc1cc(OCC)c(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Br	408841506	HIUXBPHMGPOUQO-KVSWJAHQSA-N	571.419	6.158	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1C#N	408841884	IKNFKMDUTXIAKK-IZYHBKOJSA-N	608.123	7.739	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccccc1C#N	408848466	WYBRRECGENNSAP-SAEPALGJSA-N	666.601	8.238	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1)S(=O)(=O)c1ccccc1	408858234	NTEDUZDDQRKPPZ-WVKHYPTHSA-N	701.632	7.479	50	40	KKGB	
CNc1c(I)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408858588	UGIWWMSWNGYWBL-UYOCIXKTSA-N	624.014	5.210	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1C	408862353	YEBJRXZBDDHOIM-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408883431	PROLTYKZQJLVDJ-XKJRVUDJSA-N	663.452	6.205	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	408890931	IOMLIZOWWKVZSE-XDHOZWIPSA-N	520.339	5.739	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1	408893721	GYZPUSGFUVDKAL-UDWIEESQSA-N	583.382	6.031	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2Cl)cc1	408894509	IGMAEOHAGMFLMC-OVCLIPMQSA-N	556.254	6.922	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2Cl)cc1	408896584	SEURXRCLJBRALS-RWPZCVJISA-N	513.402	5.987	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904165	FTXXCMKYELVBOL-ZRGSRPPYSA-N	667.197	5.893	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c(C)n1-c1cc(Cl)cc(Cl)c1	408927268	ZYXUVSHDCDUHHR-FRKPEAEDSA-N	536.200	6.551	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)c(OC)c1	408949220	FCEMXVQVEQQQIK-OLDUKCEXSA-N	838.437	5.512	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408970704	CDRDMFITHJAKNV-PLPFRTNQSA-N	530.452	5.604	50	40	KKGB	
COc1cccc(OCCOc2ccc(/C=C(\C#N)c3nnc(NC(=O)c4ccccc4)s3)cc2OC)c1	408971859	RCVWGIATRJCAQU-RCCKNPSSSA-N	528.590	5.330	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCC(=O)O	408973062	RQMBZOZGQPCHCR-ORWQVPHASA-N	728.367	5.105	50	40	KKGB	
Cc1cccc(CN(CC(=O)N/N=C/c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1	408974446	ZGVPLTNURMVDOV-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccccc1	408984004	PGBNPFKNAZVQQF-JAIQZWGSSA-N	525.830	6.934	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1Cl	408984218	IHFXYASIRHOHFV-IUXPMGMMSA-N	550.667	7.842	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1	408989899	JISHCUVYMOBXFJ-RCDOFAPOSA-N	726.837	7.168	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccccc1F	409046589	RQOPWGGEOWFAOQ-HNSNBQBZSA-N	505.549	6.392	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409065887	VCJZAKMLQIVZCC-XSFVSMFZSA-N	547.999	5.658	50	40	KKGB	
Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1	409158791	LTPOVXMYXKZTDD-XKJRVUDJSA-N	592.277	5.479	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Br)cc4Br)cc3)[nH]c2cc1C	409186305	ADBFLVCRBGEEFY-ODLFYWEKSA-N	537.255	7.348	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	409219162	JVFYZLHHEUVDQR-WOJGMQOQSA-N	535.354	5.229	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CNc3ccc(I)cc3)cc2Br)cc1	409252657	DAAXAOALDIPCJT-UVHMKAGCSA-N	578.248	5.503	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1	409255567	MBWHWNNHXZGQFT-AEUUOICLSA-N	650.957	7.170	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1	409260454	QMPGJFUNMGRFAR-OQLLNIDSSA-N	518.759	6.349	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)c1	409268578	WBIFYWUOTRZEJD-XDHOZWIPSA-N	538.829	6.283	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)ccc1OCc1ccccc1	409311875	CFZVEGCEBBYGJU-KYHGBAKBSA-N	579.878	7.033	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OCC	409311903	CQAPTAABJCBMEX-ACXHZZMFSA-N	600.897	6.156	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1OCC	409323078	MXCJLWTYJPVMII-MWLSYYOVSA-N	652.361	6.015	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	409377982	LETFTCFSLDOBCJ-KMUKQRDJSA-N	621.719	6.661	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(C)cc1	409384520	DCEFTLSHGCUWHQ-CCVNUDIWSA-N	568.449	6.622	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cccc(F)c1	409390433	FJAXDSJSTJUQOB-JJFYIABZSA-N	537.226	8.147	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1	409394985	ILCLRMKPFXQZOE-UHFFFAOYSA-N	670.869	8.261	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396886	CMBAEVQRRVJVFD-UHFFFAOYSA-N	574.036	7.633	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397539	LAHVMUXSRWFPRR-UHFFFAOYSA-N	606.000	7.807	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC(C)=O)c(OC)c4)c(OC)c3)c(-c3ccccc3)c2c1	409397789	OCJDRZSOAKIOCJ-UHFFFAOYSA-N	621.646	6.159	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(OC)c3)c(-c3ccccc3Cl)c2c1	409398517	UFBVQLPHQIHISF-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1O	409403520	NHBVCHQDDIHGOQ-FDVSRXAVSA-N	552.425	5.897	50	40	KKGB	
COc1c(Br)cc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409410382	WARIKMRAEXCVPB-NUJZUDFISA-N	556.844	6.455	50	40	KKGB	
COc1ccc2c(c1)CC[C@@H]1[C@@H]2[C@H](C)C[C@@]2(C)[C@@H]1CC[C@@]2(OC(C)=O)C(=O)C(Br)Br	575625253	CQPHZFNOXSLULF-PNXMDORRSA-N	542.308	5.784	50	40	KKGB	
S=C(Nc1nnc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@H]3Br)s1)Nc1ccc(Cl)cc1Cl	575628231	KBDJPLYFZFRYTB-NUDXDXSLSA-N	601.448	6.782	50	40	KKGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc(OC)c1OC	1531387105	GAJAJMGCLQOCDI-KCSSXMTESA-N	580.553	5.099	50	40	KKGB	
CC(C)(COC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1)[Si](C)(C)O[Si](C)(C)C(C)(C)COC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1	1569985967	VZSSYATVXHOILJ-BIYDSLDMSA-N	888.775	6.867	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)c(Br)c(Br)c1OC(C)C	679505	HKPBSYFOLBFYRR-MRXNPFEDSA-N	514.214	5.068	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)o1	2098745	IDSOFVXYASTLJL-DITNJDIQSA-N	560.613	7.420	50	40	KKGB	
CCOc1cccc(-c2cc(C(=O)N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c3ccccc3n2)c1	2109402	RFPRLVKOJWYDHF-QXUDOOCXSA-N	523.677	7.365	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1ccccc1F	2740428	ASSOGTWNHSLILR-LXISSDBLSA-N	524.625	5.803	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	3085461	KRHSXCVQCRHZIQ-CGOBSMCZSA-N	570.419	5.065	50	40	KKGB	
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1	3432538	XVQFTOKHPOMWKE-GESPGMLMSA-N	518.754	5.781	50	40	KKGB	
C[C@@]12CC[C@H]3c4ccc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)Cc1ccc(N(CCCl)CCCl)cc1	8101102	LRSFXIJGHRPOQQ-UCWSADCPSA-N	788.684	9.413	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C[C@@H]([C@@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1	8451506	JLYYHAXYIRGYLC-HBEKHWMPSA-N	609.358	7.087	50	40	KKGB	
COc1cccc(/N=N\C(=N\NC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)c1	8666324	GCBJAYRRJVMFFP-VGADOPFUSA-N	544.015	5.872	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCc3cc4c(cc3Cl)OCO4)N=C3CC(C)(C)CC(O)=C32)cc1	9243611	FKGYNFHIENNNGT-XMMPIXPASA-N	509.027	6.916	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1	12250177	UCVVWMMDSHHIHQ-SANMLTNESA-N	502.039	6.617	50	40	KKGB	
CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1	12466498	LZLHHPDHPIJADB-YDZHTSKRSA-N	507.062	5.042	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccccc1Br	16157779	VKWNRCGIAVIBGE-WGOQTCKBSA-N	509.381	5.134	50	40	KKGB	
CCOc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)cc1	19950856	BKGLWFTYMUIZRU-UHFFFAOYSA-N	513.704	6.058	50	40	KKGB	
CCCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1	30743174	VSDXVELWNATOGE-MIXAMLLLSA-N	515.639	5.283	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2)NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H]1c1ccccc1Cl	33355299	IPTJZYPBXANFQR-LJAQVGFWSA-N	591.161	8.312	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)cc1C	33658853	FHNDSWKRQODODS-RWPZCVJISA-N	521.402	5.604	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCc1ccccc1Cl	58980156	ZQLJLWMDIYPLBB-MUFRIFMGSA-N	503.942	5.537	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	59297513	QGZVEUBTJHKPDY-LDADJPATSA-N	501.340	5.906	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Br)c1	59646555	BSFFBNFPDMHZRW-UXHLAJHPSA-N	579.520	5.587	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1	98048777	UBKAIABOXRZXJX-LJAQVGFWSA-N	570.671	5.506	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1	100227917	WRDIVSQFFRRKJX-OCSSWDANSA-N	534.037	6.395	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(C)cc2)cc1	100242901	JPWACYBPWIMKQW-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl	100394946	LEPONHGAQRNSAC-ATGXUYTOSA-N	581.132	5.270	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1C	100988808	GDWUGSKWISOTSW-NRUOGFOHSA-N	522.457	6.675	50	40	KKGB	
CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccccc3Br)c3cc(Br)ccc32)C1	101090478	SROFVMPTASLMKF-YUHAZSCHSA-N	588.344	5.550	50	40	KKGB	
CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)cc(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl	101572105	PMCJOBXWWXJOKR-JOCHJYFZSA-N	536.868	6.278	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)C2=C(O)CCCC2=N1	102528916	XWFWLFWTWNFQGC-QHCPKHFHSA-N	531.987	7.309	50	40	KKGB	
CS/C(=N/N=C\c1ccc2ccccc2n1)SS/C(=N\N=C/c1ccc2ccccc2n1)SC	104244231	GRXWQBQCPXIESA-UUMNFKDYSA-N	520.734	6.970	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	105437214	XKDCQUCCCJQJND-KEIPNQJHSA-N	584.097	6.418	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c(C(=O)OCC)c1C	106435259	YXFXLKNEZIEKLP-XHLNEMQHSA-N	628.750	8.253	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cccc(C#N)c1	108335072	BAADITUJFKITTQ-JMIUGGIZSA-N	588.186	6.411	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)ccc1OCc1ccccc1	150408925	ZOCGEIRPEHAWFF-DPNNOFEESA-N	629.536	5.978	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Br)cc2I)cc1	150423681	SCAAMMZATGTYJF-CAOOACKPSA-N	744.121	7.000	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795291	LKBRVJJAQWSEDF-KNVOCYPGSA-N	788.033	9.481	50	40	KKGB	
CCc1cc(Br)ccc1NC(=O)CCCCCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br	226399907	YSUAFJDLKNMOOC-IZHPWYNYSA-N	619.192	5.288	50	40	KKGB	
CCCCC[C@H](/C=C/[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](N(C)C)[C@]1(C/C=C\CCCC#N)S(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C	263594121	CAXWFSZJMZNJRT-CIPMQMNUSA-N	731.249	10.707	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	408538905	RDXOJDFWSVCICH-JLPGSUDCSA-N	559.449	7.706	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2OC)ccc1OCc1ccccc1	408538911	RFORVQYPXGUKSN-QQXSKIMKSA-N	643.534	7.569	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1ccc2ccccc2c1	408548867	MLOFDLCXTCOVCX-VYYCAZPPSA-N	663.296	8.845	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551396	KQMYTZBTLVWFMJ-BCHBDCPOSA-N	643.221	5.296	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cccc(C#N)c1	408569180	ZIUTYISTDHLTOM-OCKHKDLRSA-N	622.631	7.064	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(Cl)c1OCc1ccccc1Cl	408605996	KQYXDEAWDAFQST-INIZCTEOSA-N	534.827	5.731	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408608395	HIFPLOBGNCVQOU-MZJWZYIUSA-N	514.807	5.333	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408640693	BMSFGSLAKOJWSU-BRWFAXSDSA-N	677.604	6.053	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1	408642718	FBLNDHYQFVIDEO-YKSBVNFPSA-N	541.387	5.692	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408647897	VYMUOQOTECEDAW-NGSHPTGOSA-N	716.810	6.030	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408650684	MRBAFUJEDQQOGF-VCCBFGDMSA-N	622.741	5.055	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21	408651579	NNHORCPRWUESGJ-GZIQRIHMSA-N	533.839	5.428	50	40	KKGB	
N#Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(I)cc2)cc1	408711908	QGVPJQHDFQRGOU-LGJNPRDNSA-N	515.738	5.159	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)c1	408745265	QSHFKLFRDDXUAB-JCMHNJIXSA-N	537.532	6.557	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408750498	NWTSIZPRHWRGIW-ATZGPIRCSA-N	614.323	6.730	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccccc1I	408758952	VKCAGRMLSSEOSK-YHYXMXQVSA-N	547.972	5.067	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccc(C)cc1	408783354	OBFNKFDMYJQWHQ-HNSNBQBZSA-N	572.086	6.309	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccccc1C#N	408790034	MKJBHXKXQDEJDJ-WSDLNYQXSA-N	515.953	5.522	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408792340	AOSRQFAYWRMVAI-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)cc1	408795568	MBCRKFYTBKEDAW-GIJQJNRQSA-N	571.225	6.553	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408826045	BJYAMLBFCPKTDK-OCSSWDANSA-N	519.598	5.191	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408831614	OMCZHHVBTGCYOJ-KULFSUQXSA-N	710.956	7.055	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(Br)cc1OCc1ccc(Cl)cc1	408844843	ITZCZYMJPVXTCR-VTNSRFBWSA-N	580.910	7.252	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(Br)cc2)cc1	408862395	HEBHZYJUSLMUER-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1ccc(Cl)cc1	408872839	JTKUFQCCHUUHBU-SRZZPIQSSA-N	585.882	6.321	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1	408874570	BZPZZPAORAJIDI-LICLKQGHSA-N	501.848	6.392	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408878077	ZJPNFYUMWXNLAC-QCHBRLADSA-N	599.161	6.830	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2OC)cc1	408890423	SWIMHKPWPSDCFO-LICLKQGHSA-N	507.886	5.030	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408897585	YOZCPUFCGHDERI-NTEUORMPSA-N	527.276	5.575	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(C)c1	408906028	AGBYCVSYQKIBDY-VTNSRFBWSA-N	522.476	7.095	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408913979	WRDVNLNJJMPHEB-UVHMKAGCSA-N	640.259	5.621	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1C	408921778	BXIFOKANLRHDEG-YBFXNURJSA-N	607.275	7.430	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(Cl)cc2)cc1	408923242	GNEMJUCBXGNCHD-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccc(C#N)cc2)c(OC)c1	408948192	CGFTZWBEDACBAE-DLVDTJDKSA-N	710.969	5.282	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1	408953649	XRYIZEWGJJIFDI-PMERELPUSA-N	651.185	5.511	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCc1cccc2ccccc12	408954722	ZOIHARHRWBCZEX-JGCGQSQUSA-N	643.165	5.957	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c(OC)c1	408955858	PLLIYPXZHKITPG-HYCVJYALSA-N	622.678	5.148	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2OC)cc1	408969779	UJSPFEUWGABLMW-YYADALCUSA-N	528.649	6.966	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408972543	DOJCGLRNATXUDU-BEJOPBHTSA-N	642.306	5.845	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl	408992237	SNEHPBJXDOCWPT-ZDLGFXPLSA-N	526.774	6.444	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	409000500	YKRUVDNCGBNPHW-ROPCREHHSA-N	690.175	7.754	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409014905	QFOJSPZRWYVIBU-WBIBEUCMSA-N	602.131	6.363	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	409043426	QSWOUFUPWJVXEO-MHWRWJLKSA-N	594.256	5.973	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)C(=O)Nc1ccccc1Cl	409045035	XROJYFFYTIMRQM-CXUHLZMHSA-N	564.636	7.129	50	40	KKGB	
Cc1ccc2c(c1)c(/C=N\NC(=O)CSc1nc(C)cc(C)n1)c(C)n2Cc1ccc(Cl)c(Cl)c1	409045258	IGPQCLYRZDDSJB-ULPWCQAASA-N	526.493	6.262	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409050312	UIAOMKGJNBKVIX-DLCNMLRHSA-N	652.319	8.156	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1	409067697	PJWIXMUDONUBCK-SFQUDFHCSA-N	606.292	5.924	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1	409093158	YMQYOLFUSAEKJU-UHBFCERESA-N	543.004	6.018	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2cccc(Cl)c2)cc1	409112331	LHTWQAJNAQEDTG-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409128191	DWHZYPCGENKWKZ-VWLOTQADSA-N	584.486	5.558	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1cccc2ccccc12	409128366	OMIRLYVYGRVEPH-VWLOTQADSA-N	531.406	6.005	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1	409163515	SPMPFEIXLUFYLZ-VVEOGCPPSA-N	622.303	5.433	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1cccc(Cl)c1	409163906	ZIGNYPKSXOWEIZ-AMVVHIIESA-N	648.885	5.066	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4)c(OCC)c3)cc2c1	409187219	NNTYFZSVLCJGAC-MWLSYYOVSA-N	584.410	6.178	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)Nc1ccc(F)cc1	409188368	YPTVLJSJZNJRAM-ROTLSHHCSA-N	521.184	6.085	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	409222768	CKOPITOGJQDPEU-OQLLNIDSSA-N	624.116	7.082	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	409257417	ONJCZPFOVZCBLS-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC(=O)Nc2cccc(C)c2C)c(Cl)c1	409259992	IVQHQLIJDXHYKM-JAIQZWGSSA-N	508.405	6.482	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409260043	JTZDQOIZDMQVKK-JAIQZWGSSA-N	640.434	5.778	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)c(C)c1	409261196	BUMQHYBITYDHPZ-SRZZPIQSSA-N	611.334	7.008	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC	409311106	DJZCJNIEZVFFKQ-MBTHVWNTSA-N	617.396	5.124	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1OCC	409324804	VRATYAMXFPLAKQ-MWLSYYOVSA-N	555.425	5.678	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12	409366264	TVPXDMIYFXDHFV-XODNFHPESA-N	634.259	5.461	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2c(F)cccc2Cl)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409373233	SQDJSJNVHKDUGP-FTCYSYDXSA-N	570.901	6.052	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409394474	AVZRGCNSYYBGGT-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409395607	PRNUWIGUFONDTR-UHFFFAOYSA-N	660.908	7.361	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc(Br)cc1	409395825	SDSVNICCZGRIQR-UHFFFAOYSA-N	696.193	8.106	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397453	KBLXWOKZRGAHOX-UHFFFAOYSA-N	650.997	7.797	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(O)c(Br)c3)o2)cc1	409403835	OGFNSZRIVWUQCD-QDTIIGTASA-N	542.817	6.152	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCC(=O)Nc5ccccc5)cc4)c3C)o2)cc1	409407439	ZTTQPPVBXZGOBQ-LMOHNTGSSA-N	655.755	7.455	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)sc2c1CC[C@H](C)C2	1895785	PMCXHERXOMABNB-OFXNXBLFSA-N	523.658	6.598	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	2188798	YHZRXEVLJIHDRU-HSZRJFAPSA-N	546.649	5.653	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OC)cc(Br)c1OC(=O)c1ccc(OC)cc1	3232233	FPDGDGSTXNUFML-CPNJWEJPSA-N	579.403	5.408	50	40	KKGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3Cl)cc2)c1	3251178	RZVSUHAKJQRDRL-KBVAKVRCSA-N	501.030	6.609	50	40	KKGB	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C(\Nc1ccccc1C)SCC(=O)NCc1ccccc1	3271999	YQMLNHQFOFQGAJ-SGWCAAJKSA-N	535.069	5.801	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@H](c3ccc(Br)cc3)Nc3c(Cl)cccc3[C@@H]2[C@@H]1Cl	8426170	OZTZHIRBISRRRP-XVAAYUMESA-N	550.305	8.049	50	40	KKGB	
CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=CC(C#N)=CN12	8691476	BAHWTZLXOWHIGV-DNVJHFABSA-N	515.407	5.244	50	40	KKGB	
Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)Nc2ccccc2)N(c2ccc(Br)cc2)C1=O	8717767	GTPDLWWXOGGFQZ-YMGIJWJESA-N	518.436	5.823	50	40	KKGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)CC(=O)N2)c(C)c1	9110834	BBPGDVJBMSUECM-VWLOTQADSA-N	511.647	5.901	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1OC	9235467	ORUQSLVZUSETKE-RWPZCVJISA-N	509.031	5.388	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc(-c2ccccc2)cc1	9428508	GWNFCFCWSYEFJR-STKMKYKTSA-N	518.642	5.994	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)c1ccc(F)cc1	15930172	GMWKXEGTJVDWGM-RGXNXFOYSA-N	524.625	5.804	50	40	KKGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	22000938	LUAGLKJPPHZINM-ACXHZZMFSA-N	506.389	5.652	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)ccc1Br	28617556	QZYJCXCMUIKQMF-YKQZZPSBSA-N	516.439	5.551	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	33353835	KIJGIZFALRDJFD-BFGIPYBGSA-N	571.699	5.013	50	40	KKGB	
COc1ccc(CCCc2nnc(SCC(=O)N/N=C\c3ccc(OCc4ccccc4C#N)cc3)o2)cc1C	35999775	UALYAOFKXOCFFC-CAQPMQTCSA-N	555.660	5.255	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	59427824	ACACBXJLRAUBOX-CCVNUDIWSA-N	500.898	5.127	50	40	KKGB	
[N-]=[N+]=Nc1c(I)cc(C(=O)NCCSSc2ccccn2)c(O)c1I	72131446	CKOHBPRDAGSGHJ-UHFFFAOYSA-N	599.217	5.109	50	40	KKGB	in-vitro
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	97951916	JMLJSRNGGZLQDM-GDLZYMKVSA-N	535.625	6.244	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)N2)cc1	98048672	YMDYECXNWGLZTO-VWLOTQADSA-N	603.022	6.667	50	40	KKGB	
Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CN(Cc3ccccc3)Cc3ccccc3)c3ccccc32)c1C	100802442	ZOUFBECPDDQSEY-JCUPVDEDSA-N	532.644	5.209	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cc1	100988412	KBWUJVCHEQDSKR-YMGIJWJESA-N	597.332	6.585	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	102760631	ITGMBWLGNCZYIQ-HHHXNRCGSA-N	556.644	5.471	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccc(-c2csc(COc3ccccc3)n2)c(Cl)c1	104085478	ZBMYBQCGDPLGFB-KYHGBAKBSA-N	558.962	8.386	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1cccc([N+](=O)[O-])c1)=N/NC(=O)c1cc(Cl)ccc1O	104316919	VQOSKOLJUKRWLW-UTMIZZEPSA-N	558.986	5.771	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1cccc2ccccc12	104402181	IANUQUKPOCUXQD-OKCVXOCRSA-N	537.841	6.997	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](C)Br)CC[C@]4(C)[C@H]3CC[C@]12C	118917990	CZPMLPQARRFNQN-XRAKKWNUSA-N	537.692	9.728	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341812	YNIFRLDVAIXNIG-IBGZPJMESA-N	662.450	11.545	50	40	KKGB	
BrP(Cc1ccccc1-c1ccccc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1	195782716	ZBQBOBWVNVJOND-UHFFFAOYSA-N	864.642	12.033	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccccc1Cl	408542543	MCAGNQCMKJXDDQ-GRSHGNNSSA-N	602.812	6.166	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408542669	KTOOCOAYPSMDCK-VXLYETTFSA-N	533.382	6.502	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c(C#N)c1C	408546653	LGHGTQSMSYPOHK-OVCLIPMQSA-N	508.939	5.435	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408549939	BWSNUOJTRLQZIC-CPNJWEJPSA-N	565.436	6.228	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	408554215	QTMULYMAHILOQJ-BRYYZUPOSA-N	561.445	5.835	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)c1ccc(Cl)cc1Cl	408578819	BFOCLZTYVOBGMD-XNTDXEJSSA-N	509.208	6.588	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408580347	OREMHFCZCLKCMQ-RQZCQDPDSA-N	580.300	7.392	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCc1ccc(Br)cc1	408598621	GEAQWRDEZFHKRO-GRSHGNNSSA-N	594.674	7.749	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Br)cc1	408606743	AQKZDUYVABMMIW-RWPZCVJISA-N	524.415	5.132	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1Cl	408724329	BNUIFRDLMXHADS-UNOMPAQXSA-N	541.829	6.634	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)c1	408744879	HXNABMDOCKFBFT-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3cccc(F)c3)c(I)c2)ccc1I	408746731	GICYBSDLWCPOBR-RPPGKUMJSA-N	630.195	5.386	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408747806	UBTFBGIRCHQVAE-MFOYZWKCSA-N	542.773	6.144	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1cccc(Br)c1	408753687	HFPCFOYOSGOIQN-IUXPMGMMSA-N	556.210	6.065	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(I)cc1	408758192	HIWKSONLEHURHO-STZFKDTASA-N	609.261	7.332	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)cc1	408765569	YSHCXZDMTQBNCG-LKUDQCMESA-N	540.575	6.935	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)c1	408774455	VTOIWILBBWRZDI-JLPGSUDCSA-N	556.460	6.990	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408780245	ABMAOARQWOOOIY-UYRXBGFRSA-N	671.448	6.690	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1C	408787626	CVDGDFGTNDOROE-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)c(C)c1	408793380	DVLBNWVFLHUCKO-AFUMVMLFSA-N	558.419	7.186	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1C	408795358	VEFVDVCBBPFABM-DJKKODMXSA-N	605.245	6.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408795889	WMUILAZMMVFBFW-SRZZPIQSSA-N	550.409	6.498	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(I)c2)c(C)c1	408796715	PRDHTWPJGJCNRV-UDWIEESQSA-N	542.804	6.686	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c1	408797062	QUSBKSCKTYGRON-RGVLZGJSSA-N	553.356	5.941	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1c(C)ccc2ccccc12	408801609	UWUZAIASVHSTIU-MFKUBSTISA-N	616.499	7.893	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(Cl)cc1Cl	408814440	GYYVZWKYJBIRIA-MFOYZWKCSA-N	611.238	7.260	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408821768	KECPPVVRCHNBTG-CVKSISIWSA-N	587.503	8.323	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	408825502	DMAAAZDJSRJYDU-UKZVYPLNSA-N	649.567	5.051	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OCc3cccc(C)c3)cc2)cc1	408827758	MEHVTUWEQCVRSK-WPWMEQJKSA-N	523.032	7.661	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408829063	NOGNGYNDOLPMAA-SJAPNOTRSA-N	699.454	7.882	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OCc2ccc(Cl)c(Cl)c2)c1	408829316	FMYLEKKCKYZERU-HZHRSRAPSA-N	593.894	8.359	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408830594	NUNTZCKUGJOWSC-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408834949	XLXSADJKKJDLQJ-CVKSISIWSA-N	587.503	8.323	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408837903	AOXUJZRCSFGCQH-AABVJFSESA-N	667.368	8.206	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccccc1C#N	408841640	GALGSLOZBGRVMC-KULFSUQXSA-N	672.992	8.193	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408843494	NHVYWUIRCGVVAU-PTEHHBOZSA-N	642.395	9.510	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408851331	BLNYDYKFLCUKDY-BCHBDCPOSA-N	607.642	6.862	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)cc1	408855403	CYPSFYYPSNDYRP-WKULSOCRSA-N	568.313	6.791	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)o1	408870871	XBLJLFYYGRJYDV-NSKAYECMSA-N	562.391	5.674	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc2[nH]c3ccccc3c2c1	408872639	HYKFVWNSBJVHND-LUOAPIJWSA-N	526.405	5.832	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408879646	CDCMWSFURDQUHT-TUYTUYLVSA-N	589.932	5.953	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408880037	IMUPWMHGGHURJK-GZTJUZNOSA-N	592.386	5.061	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)c1cccc(I)c1	408882192	NYBSCXSMPAKZKJ-RWPZCVJISA-N	599.222	6.190	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1cccc(Cl)c1	408884738	YHPZTWJPPMQJCM-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccc(C)cc1	408891168	MMISUKRPZIYPOM-VCHYOVAHSA-N	546.248	7.198	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1C	408892508	BYVLJOXYECDJHQ-RGVLZGJSSA-N	536.382	6.107	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Br)C(=O)Nc1ccc(OCc2ccccc2)cc1	408894629	JWTLAAZYCYSRPH-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OC(=O)c1ccc(OC)cc1	408894686	KLLMUZKGAQDEIC-GZTJUZNOSA-N	637.257	6.770	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccccc1C	408896165	PQNYLDHPRSSKGZ-MZJWZYIUSA-N	546.259	6.262	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1C	408898073	KFROJSHVJXOLLV-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccccc1	408904512	KSWREQXCJBDZNN-ZMFRSBBQSA-N	524.327	5.455	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1cccc(F)c1	408905529	YTWICZMOXREVIV-PPDIBHTLSA-N	520.786	6.293	50	40	KKGB	
O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Cl)c1	408912206	PZJOWRDIXQZUIP-FDAWAROLSA-N	514.965	5.003	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(Br)cc1	408923755	JPXAGZSDDVWWNO-VCHYOVAHSA-N	586.236	6.043	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccccc2F)ccc2ccccc12	408941599	DXXMDMXXHAOCSF-YTTGMZPUSA-N	626.710	5.443	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1C	408943220	HGQYCCURQQCIQF-UMSFTDKQSA-N	686.234	6.212	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	408952603	WHRZNGOFMHGDQA-MHZLTWQESA-N	734.442	5.815	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(Cl)c2)c(OCC)c1	408953121	WVROJBNGHZIAKN-GDLZYMKVSA-N	763.054	5.807	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCc2ccc(Cl)cc2)c(OC)c1	408957869	WNWBIZPPGIAQFX-SXWOMVPGSA-N	762.985	5.261	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c(F)c1	408968126	UIVSDERAIPFCRK-IPBVOBEMSA-N	549.169	5.704	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408971578	JIWPVRFFTGWZIU-MWRDTLLRSA-N	650.341	5.454	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)cc(Cl)c1OCc1ccccc1Cl	408972768	WXUCQMHYPXQRSX-YBFXNURJSA-N	537.428	6.749	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c2C)cc1	408978268	HNTWMPKTHKGAJD-BQBNFOSNSA-N	586.714	5.139	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C	408981251	AAAXGRUERXHYNO-UCQKPKSFSA-N	564.900	8.487	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1Cl	408989628	UMRRTZSAWASJRY-IUXPMGMMSA-N	605.670	7.206	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)cc1	409004865	FTTVVTTZCOELIY-UNGVOMFMSA-N	547.567	5.247	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccccc1Cl	409013530	KPTSOAHREIWFAX-SBQXVTABSA-N	723.097	8.390	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccccc1Cl	409015988	QCDGYHAAOLQHFG-OVUNXFNISA-N	631.000	7.648	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1	409018113	RIBCLIMRXVBXJI-NVJOKUIPSA-N	548.220	6.854	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1	409019323	WJAWQLQZCDIXDC-UVQQVRMUSA-N	643.568	5.858	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409031510	HCEBQTCPBUVFIX-DLCNMLRHSA-N	649.770	8.423	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1	409047179	NJBOGIPDSAFVPG-LZYBPNLTSA-N	536.640	7.534	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409063546	MJPVHFOVTLJLBM-PNQUVVCRSA-N	698.206	6.477	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409090507	NPJHYPLBRMUULB-CXUHLZMHSA-N	555.297	6.429	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1)S(C)(=O)=O	409113373	HQRPKBDVQHXESP-VTNSRFBWSA-N	583.541	6.439	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)cc2)cc1	409119467	PJPOZBQLTMISMU-UZWMFBFFSA-N	541.673	5.613	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409133158	OYRKGJWGIZGDKE-KBVAKVRCSA-N	586.110	5.023	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccccc1Cl	409144083	DNAYLRYEHSZBPX-QFIPXVFZSA-N	513.775	5.614	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(Cl)cc5)(c5ccccc54)[C@H]3C2=O)cc1	409145158	MWFQQBAFMMCBIO-FNWWFIMJSA-N	604.106	6.024	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1cccc(Cl)c1Cl	409150414	BYNCEOSKVVJEIP-PNQUVVCRSA-N	669.303	5.330	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1	409172599	DITFRVFTBMDICM-VVEOGCPPSA-N	713.754	5.521	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409217546	DDLFWKQEFDRQOP-DJCXHRDFSA-N	564.554	5.238	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC	409223513	IEHYXWXYMNGDGT-MJXLXAJKSA-N	667.458	6.163	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1	409223756	IURWMABCDCCYLT-UHFFFAOYSA-N	570.443	6.301	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409259997	IXNHVGKHAWMFEQ-MBTHVWNTSA-N	524.415	5.246	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409266719	XWKMEAYHMONSFP-FYJGNVAPSA-N	548.437	6.028	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)ccc1OCc1ccccc1	409270416	FSGDFVAKXIIPME-UCMJSZAQSA-N	537.616	5.754	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCC(=O)Nc1ccccc1	409325820	BMIAFUYREUGASI-FZKWRIDDSA-N	632.511	6.217	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Br)c1OCc1ccc(Cl)cc1	409366793	YHMYXXBUKBRSHW-FDVSRXAVSA-N	559.844	5.544	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1F	409371351	HVPJYLNEKRQWEM-SXGWCWSVSA-N	521.611	7.647	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1cccc([N+](=O)[O-])c1	409371787	OKKKBWMXDQDMQG-IUXPMGMMSA-N	532.163	6.902	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(F)cc1	409372038	QUZDEAVAEXCFLO-YVLHZVERSA-N	503.286	6.221	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409393596	RCQQCEAZCOYWFR-ZDLGFXPLSA-N	513.338	6.208	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)c1	409395429	NLEOGBFPNHZTCY-UHFFFAOYSA-N	744.665	9.067	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397588	LNUNEPROEGCVRG-UHFFFAOYSA-N	507.546	6.036	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397637	MESJVAKVGOQUSA-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398704	VHKKUBJPIIMAMB-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)Nc1cccc(F)c1	409401080	GIYDINTXJNVKKG-VHFSBPNMSA-N	655.639	6.103	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1cccc(C(=O)O)c1	409405690	UOPCJVDYOLWSBN-VHFSBPNMSA-N	719.532	6.920	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(C)cc1	409407096	YXBVSCKWSNPWPR-AEVGBRMKSA-N	721.446	8.451	50	40	KKGB	
CC(C)(C)OC(=O)N1[C@@H](CC[C@H](O)CBr)C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1	575627472	KSKVPVAXSYPJEF-MYGLTJDJSA-N	504.421	5.168	50	40	KKGB	in-vitro
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOCCCCCOCCCCCCCl)C(C)(C)C)cc1	820924937	DVLICOWBWULAJJ-RWTOGVPBSA-N	749.459	6.791	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccccc1OCc1cccc2ccccc12	1529547342	KOKCAQCRVGIHEZ-DGVDXNNESA-N	608.720	5.304	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1	1790153	INBPIIYJMZBBNX-WTALZMIHSA-N	556.844	6.307	50	40	KKGB	
CCOc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C/c3ccc(Cl)cc3)n2-c2ccccc2)cc1	2098118	RVOBCWIEZDQBES-ZXAKHJNPSA-N	535.073	5.562	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1COc1ccc(NC(C)=O)cc1	2275766	VETYQHOEHWHOSZ-CCVNUDIWSA-N	507.999	5.865	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)NC2=C1C(=O)CCC2	2309801	ZUCCMMXDSTXLAI-VWLOTQADSA-N	508.043	5.848	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)ccc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2588201	CNVDPUIAZYVVGJ-FDAWAROLSA-N	559.692	5.500	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(N)=C(C#N)[C@H]2c1ccc(Cl)cc1	3666602	XPDYYUXRESSWNT-XMMPIXPASA-N	503.071	6.483	50	40	KKGB	
COc1c(I)cc(I)cc1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1	8402858	FWZUNSQMLOGNRV-QDCCHXAWSA-N	622.244	5.361	50	40	KKGB	
CC(C)(C)C1CCC(C(=O)NNc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1	13527484	ATEOLUFUTIKIPM-UHFFFAOYSA-N	509.028	5.345	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	14131061	VRRZDAHKXQWELL-OCKHKDLRSA-N	503.223	7.716	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)c(C#N)c1C	33759021	LGOZAMIJPQQQDH-UDWIEESQSA-N	504.995	6.056	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]12	34651261	QQPIYUDJYPYGNB-WNQXLSPZSA-N	503.605	7.180	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccccc2)c1	58914950	HLDPEIKLCITYLE-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(Cl)cc1	59117341	LHZBFMJSRYYTNX-LFIBNONCSA-N	501.753	6.420	50	40	KKGB	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)c1	97947408	BXIHPTDYVLIRLW-XLNRJJMWSA-N	550.644	5.283	50	40	KKGB	
C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965720	DXXHQAHFTWBYOC-NNOOIMGWSA-N	539.860	6.480	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)c(OCCC)c1	97980759	XMSBFMUHGBOHRO-ZTKZIYFRSA-N	539.654	5.228	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1N=[P@@](c1ccccc1)(c1c(C)nn(-c2ccccc2)c1C)N1CCCCCC1	97984761	QRGAKIKQBSDWHS-KXQOOQHDSA-N	527.609	6.980	50	40	KKGB	
CCCCCCCC(=O)N/N=C1/CC[C@@H]2C[C@@H](OC(=O)c3ccccc3)C[C@@H]1/C2=N\NC(=O)CCCCCCC	100026469	PJTFIWCSJCSZJI-XDHFMPFZSA-N	552.760	6.697	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(I)cc2)cc1	100027822	UNLYEZUCLIFOMU-KOEQRZSOSA-N	508.400	5.560	50	40	KKGB	
CN(c1ccccc1)c1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1	100033210	KWPMNPXUIWSASY-MKNNEFPQSA-N	571.337	6.643	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1	100104556	ORXMWCIVLJTKOX-FDAWAROLSA-N	596.934	6.570	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1	100127870	ZCTPNABZJGEMFX-UXHLAJHPSA-N	595.519	5.565	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1	100178382	WPBUBAQYARVCRT-OOIMYDLUSA-N	546.026	5.615	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1Cl	100232785	DKYHPFILRVKLEQ-MTJSOVHGSA-N	539.857	7.243	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3OC)nnc2-c2ccc(Cl)cc2)cc1	100242153	JAMUDSSDWGJNMM-OKCVXOCRSA-N	582.082	5.255	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	100394738	LWVGQPZTCYUHEZ-WJDWOHSUSA-N	516.178	6.521	50	40	KKGB	
N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1	100879042	DLYDCRYIVMJEGL-NJYVYQBISA-N	575.271	6.098	50	40	KKGB	
Cn1c2ccc(Br)cc2c2nnc(SSc3nnc4c5cc(Br)ccc5n(C)c4n3)nc21	101106857	UQYCJLDUUXUKOH-UHFFFAOYSA-N	588.314	5.671	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C(=O)OCC)cc2)=C(C#N)[C@H]1c1ccccc1Cl	101305146	VYWLTLRMBLLTDN-HHHXNRCGSA-N	602.112	6.285	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccco1	102760650	ROMUXXUFNBEHMQ-AREMUKBSSA-N	542.617	5.081	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[P@@](=Nc1ccc(I)cc1)(c1ccccc1)N(C)C	102936843	RNSPLRLDDKHBFU-WJOKGBTCSA-N	540.389	6.054	50	40	KKGB	
CCCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC(=O)N1CC[N+](C)([O-])CC1	104109817	OPTBLTCYRYQSSC-VXKWHMMOSA-N	540.425	6.781	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1	105115823	KYNTWXQYVQDIQH-YBFXNURJSA-N	530.249	7.443	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341946	YYFZNFMYCTWLPQ-QFIPXVFZSA-N	704.531	12.715	50	40	KKGB	
O=C1[C@@H]([C@@H](Br)[C@@]2(Br)C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1	150342748	KOMNALVZOLETHI-HQTJAOSFSA-N	732.345	6.218	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1	150374092	BAYOWQOPTJKOII-LPEPFOFCSA-N	637.904	5.859	50	40	KKGB	
CCOC(=O)C1=C(CSc2nnc(SCC3=C(C(=O)OCC)[C@@H](c4ccc(OC)c(OC)c4)C(C#N)=C(N)O3)s2)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1	150378103	CITJTRLJUBZDAU-KYJUHHDHSA-N	834.955	5.407	50	40	KKGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)c1	209533729	ZTLKSLYUMGELJK-BHGWPJFGSA-N	531.160	5.211	50	40	KKGB	
C[C@H](CCC(=O)N/N=C/c1ccc(F)cc1)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	245241639	LYGIRJHOSGMNLO-CYZGPEBFSA-N	512.710	5.683	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)ccc1OCc1ccccc1	408537713	GZACDANNVAZTCY-NLRVBDNBSA-N	539.031	7.442	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC)c(Br)c2)c(C(=O)OCC)c1C	408546272	FSVYBYKJIUYOIE-MHWRWJLKSA-N	534.428	5.290	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc2ccccc2c1	408548954	ODDALFCITMRKJV-JJFYIABZSA-N	658.233	7.600	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408578601	ABPSAWQVLZTVTO-RGVLZGJSSA-N	512.787	6.843	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408599730	ZCBBQUCDRUOZHH-IBBHUPRXSA-N	619.286	7.493	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408612677	WTOUCDVXDRCYJJ-FJEPWZHXSA-N	528.436	5.795	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408644053	GSYYQGKQFCNHBW-ZZFPVUGMSA-N	726.076	6.662	50	40	KKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCc1ccc(Cl)cc1	408691936	YVNKGWIEOMKRPF-JAIQZWGSSA-N	569.830	6.879	50	40	KKGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1	408726706	SUSDEOAUIKOVJL-PPOKSSTKSA-N	508.581	6.829	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1	408728761	SZBBAXASVNSIEP-AWSUPERCSA-N	546.092	6.506	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OCC	408735565	STBGKODJBCKUSD-MUFRIFMGSA-N	534.410	5.031	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(C)c3)c(I)c2)cc1	408744749	HCIOXWCZRCUKQD-ODLFYWEKSA-N	650.254	6.338	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(I)c1	408746369	YQRBACGRCJKKAS-UNOMPAQXSA-N	528.777	6.378	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1Br	408749587	QXVDOUUYOHNMST-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408754903	LSZZQZBVOCAQTR-RPPGKUMJSA-N	619.264	5.447	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(Br)cc1	408761167	COCLVTCXTBMCKL-RPPGKUMJSA-N	521.198	5.537	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789191	HMJDVRZRPVWODT-RDRPBHBLSA-N	589.489	8.306	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	408797663	SXXXBFJKFXDAOA-HZHRSRAPSA-N	541.401	6.514	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Cl)c1	408820439	XTGAHXADHUFBBN-NVJOKUIPSA-N	532.221	7.153	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408821216	DVFODDAEVLUDGR-LPYMAVHISA-N	642.764	9.113	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408822612	CKIQXIKERNBQSN-KOEQRZSOSA-N	597.473	8.989	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(C)cc2)cc1OC	408828013	IICCENUKSQKLRR-ALQBTCKLSA-N	651.141	5.029	50	40	KKGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408831490	ZROMXYUACCJNBK-LDADJPATSA-N	542.227	6.345	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408834064	STSWLNUXXWEOKX-LPYMAVHISA-N	642.764	9.113	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1C	408835545	NSSJVGFZRACKTO-OVVQPSECSA-N	523.032	7.661	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4ccc(C(=O)O)cc4)cc3)cs2)cc1	408838196	CRCMBOHRLQJAOG-KVAAJVFYSA-N	641.547	7.666	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1	408839394	ROJLCBXBQWJONT-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(OC)c1OCc1ccc(Cl)cc1	408839803	WLPYVGJVUHTOOR-SAEPALGJSA-N	643.596	8.941	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccc(Br)cc1	408841145	HVBJECOYZBSIJH-VVEOGCPPSA-N	576.442	6.768	50	40	KKGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1	408844349	NNXCYZOLVWCWRI-UHFFFAOYSA-N	508.943	5.098	50	40	KKGB	
COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408844353	NPLATCYANHRJQC-PNQUVVCRSA-N	772.790	6.732	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccccc5C)c4C)cc3)cs2)cc1	408846107	QQFRRTFKTIGJIL-KCSSXMTESA-N	519.674	7.342	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1OC	408846594	UBXKKLVLMSFFKH-CCVNUDIWSA-N	507.999	5.897	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccccc1F	408855398	CXEJKGGVFPTUPB-LRIZEKIPSA-N	573.668	7.672	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408860869	GXASZWVVKVBIBG-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408861643	ULDGJAOMCAOELC-ZLNXIQNYSA-N	801.974	9.465	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)S(=O)(=O)c1ccccc1	408862965	JPPKGIRUGFTNTO-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c(OC)c1	408867979	MYALSZNRMPTETA-LFVJCYFKSA-N	568.655	6.394	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccs5)(c5ccccc54)[C@@H]3C2=O)cc1	408868447	QDYFNHHEVDCOOZ-NSJRZLKASA-N	517.610	5.023	50	40	KKGB	
COc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1	408878656	AFSCDLFJUUEFAV-GBQBHJDMSA-N	606.476	5.424	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408879247	CJZOYMGNUVZHFU-LFIBNONCSA-N	651.289	5.750	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	408887252	NFEPEUIOLJPNTD-RPPGKUMJSA-N	546.899	6.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1ccccc1C	408887705	SOKIXVNSBAJNQM-RGVLZGJSSA-N	566.408	6.198	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)c(OC)c1	408947103	AGSQUNXEYVKZFG-PDQWDMBESA-N	703.949	5.549	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408971089	LVCYGCHSWFUAMR-WNGBFMCOSA-N	624.952	6.871	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N\NC(=O)COc3ccccc3I)c3ccccc32)c1	408998250	INMGNFVEOQQFJI-VYYCAZPPSA-N	523.374	5.132	50	40	KKGB	
Cc1cccc2c(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c(C)n(Cc3ccccc3Cl)c12	409035386	SMCNKSWDROJGHN-QJOVZPHJSA-N	543.070	7.939	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)c1ccccc1	409078653	IWHYMOKYAFFYCL-ROTLSHHCSA-N	600.169	5.378	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)OCO3	409097710	NWZDZWRPXREEAK-QFIPXVFZSA-N	625.100	7.044	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409132145	NIOWPUBFCPUZEW-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(Br)c1OCC(=O)Nc1ccccc1C(F)(F)F	409161894	BRRASPQHABZWPI-ROPCREHHSA-N	635.437	5.535	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409198896	AFACLAQLQGRXCC-WQRHYEAKSA-N	540.345	5.977	50	40	KKGB	
Cc1c(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	409208036	ALBNQIACNIQEFF-VFLNYLIXSA-N	516.881	7.201	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409221438	QICKPRPTXOHZIG-FIOJILPZSA-N	510.590	5.875	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409224852	KZKYOIJXYMNFCB-UHFFFAOYSA-N	572.961	5.492	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409227020	WZBZSWFDPQEMEF-UDWIEESQSA-N	582.882	6.681	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409247937	IQWRXUCLVPQFHV-VJOZSWGJSA-N	518.395	5.133	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccccc1C#N	409248419	KEVAYSMTCLNBIG-RIMPEIONSA-N	577.422	5.925	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409251203	OVMCZHYQUYFAMB-NVNXTCNLSA-N	634.668	6.336	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Br)cc1	409254966	GMHNQNLLMIWMMN-ZRGSRPPYSA-N	590.228	5.210	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)ccc1OCc1ccccc1	409257379	OHMFXVYFGOGROU-WBIBEUCMSA-N	616.114	6.725	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409264295	ONIRRNUKXATGOU-FZKWRIDDSA-N	679.511	6.059	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	409302374	ILGBIMKGEOPKLB-UHBFCERESA-N	538.000	5.012	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409361226	BDRFVZWWGRKNDB-UNOMPAQXSA-N	599.400	5.701	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1	409370242	NKKAIGMYZUTAEQ-RWPZCVJISA-N	503.400	5.483	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Br)cc1	409370891	CZACVXRCIYLIFN-ZMFRSBBQSA-N	599.732	5.206	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1	409375014	DDDPGECWOLLJTH-JAIQZWGSSA-N	528.834	6.176	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c(OC)c1	409383859	LRVDDNWFMVSDQX-LGJNPRDNSA-N	548.231	5.572	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(c1ccccc1)c1ccccc1	409392029	NDTJDIYLPVWNBZ-LJUMEUDFSA-N	623.301	6.981	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409394311	YLRBRBWOOOIUHN-LSCVHKIXSA-N	521.213	7.937	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc(Br)cc1	409395437	NNAYXYQPZZDLNC-UHFFFAOYSA-N	743.193	7.948	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396593	YLKVQQPHTJULKT-UHFFFAOYSA-N	680.477	8.007	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409396941	DEPYCPTWRGXXMI-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397672	MQADSFBJNASDGU-UHFFFAOYSA-N	521.548	6.274	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409397709	NCCLJZXZZONDCV-UHFFFAOYSA-N	657.337	8.449	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409398177	RNRPYILXMZAKNM-UHFFFAOYSA-N	612.480	6.906	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(C)c2)c(OC)c1	1529547073	INVRLOJQRYMWOF-YMEQDBNJSA-N	681.609	5.230	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	1529548369	DXOHIHYXYFKSDI-ROKSKZBTSA-N	716.998	5.475	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(F)cc2)cc1	935106	UNHYASKLQJXFGV-YMGIJWJESA-N	502.527	5.107	50	40	KKGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCc4ccc(F)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1	987196	XVPOAJPKVBVDGP-VWLOTQADSA-N	512.541	5.420	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	1769505	FFIJQVGTGSOETI-SFQUDFHCSA-N	567.450	7.713	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1	1888848	CPGVWGWJFXQODN-YMGIJWJESA-N	536.426	5.331	50	40	KKGB	
CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C(F)(F)F)C3=C(CCCC3=O)N2)c1	2309530	KECPTWVVBBPCFR-XMMPIXPASA-N	525.552	5.709	50	40	KKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1OC	2553476	DSCFVRZWRAYLJK-VCHYOVAHSA-N	516.450	6.774	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Br)cc1)N2	6074193	ZOQLLVCOPXRYKP-DDFGHHCKSA-N	557.897	7.599	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1	8396428	QRKCXYNGDCOJGA-UHRFHUGISA-N	705.420	6.194	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2c(Cl)cccc2Cl)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12	9280154	KKRKWBUFJPVDCO-XXBNENTESA-N	504.377	5.056	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	13921669	KRCRDSVDXFQFBZ-XKJRVUDJSA-N	510.299	5.680	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	20206998	PUVXBRKBIGOLLS-OGLMXYFKSA-N	514.047	5.091	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	32520692	BSQYOTHRNZUQIA-RPPGKUMJSA-N	502.448	6.425	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C\c2cccnc2)cc1	33341498	VIUARUSMBHIVQO-YKQZZPSBSA-N	519.026	5.203	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C(=O)[C@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C	68569394	RBYRHDBWVSOLNG-SWIXNOSSSA-N	597.587	5.650	50	40	KKGB	
CC(C)(C)c1cc(C(P(=O)(c2ccccc2)c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O	73257131	VOOWUQXUNZHNLJ-UHFFFAOYSA-N	620.710	9.014	50	40	KKGB	
CCCCCCCCCCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N	95681955	MJAKWMFQSAURFY-UHFFFAOYSA-N	631.686	8.879	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1cccc(C(F)(F)F)c1	97960850	FVVCUYIZFXLUFL-HIWRWHBISA-N	517.334	7.508	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)Cc2ccc(Cl)cc2)cc1	97965578	KAQCVIKTFWUHIP-IPPBACCNSA-N	523.964	5.008	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCc1ccccc1Cl	100062844	LCESUJJPQZWEKO-WKIKZPBSSA-N	613.677	5.988	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	100125111	WYDDBDLMZVORPF-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)c2C)c1	100127187	GVPWBCVGAPLSFO-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1	100238563	PIFVFVQKUVEZTC-AKLYFZKISA-N	555.469	5.789	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240868	QYHCIVIFLQJYKE-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)[C@H](O)c1ccccc1	100451212	HPESHWOQLYPNSY-XSKYCKKESA-N	554.609	5.025	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(OC)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	101505927	WGOAFFTVKPMBSV-UZWMFBFFSA-N	573.719	5.890	50	40	KKGB	
CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528333	CKPASNHKFRKQAA-GFCCVEGCSA-N	614.268	9.450	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528868	JJSUDATZGMKZRS-REOHCLBHSA-N	541.995	6.481	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C2[C@@H]1c1ccccc1C(F)(F)F	104079276	WXNHMDPPCJJERR-JOCHJYFZSA-N	517.960	7.000	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1cccc(Cl)c1	104402185	JMMBHTZWGGWWPJ-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	150385219	VLDIAGFMRUUUHQ-FDALDRLYSA-N	645.612	7.869	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1cc(Br)ccc1O	150420672	NWGQEHIWKTVNLF-UGOYGOHDSA-N	626.894	5.775	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1	216043169	TUYUWRNKBUFLNB-MUXKCCDJSA-N	562.835	5.842	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(I)cc1	408548545	IMTZOPCDPZAHQJ-FMCGGJTJSA-N	596.262	7.859	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408548634	KCJHVSZOHJIGIU-YVNNLAQVSA-N	539.256	8.561	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1ccc2ccccc2c1	408551545	NCIQNFLFZBDZHW-UCQKPKSFSA-N	566.236	7.850	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552540	QOXBVTJRDGMYRE-GZTJUZNOSA-N	508.361	6.615	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408566930	BNOPWGYDDPKWTL-IPPBACCNSA-N	573.092	5.634	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408570643	XIMGNVNEVPQUJV-JEPNHJGPSA-N	585.839	7.570	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCc1cccc(Cl)c1	408581084	UHCQDFOKJUUIRN-GIJQJNRQSA-N	533.647	7.517	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	408582699	PCXUXUMGOLMAQP-DJKKODMXSA-N	571.855	6.518	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1	408641347	KAJWVVWGFKIGEJ-UCDDGIFISA-N	732.809	5.730	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408647894	VYMUOQOTECEDAW-NDBXHCKUSA-N	716.810	6.030	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408652899	PCGUMWUDKWYFAX-ZEVCKCCMSA-N	622.741	5.137	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(N2CCCC2)cc1	408675997	DEAFQLZOCOGQLW-KCSSXMTESA-N	607.346	7.308	50	40	KKGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	408742742	YAPUUXYVQYJDIK-RPPGKUMJSA-N	536.195	5.459	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c1	408745319	LMJGSGGLTUJHGU-NVMNQCDNSA-N	601.251	6.643	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1	408746160	XQBUNYUYGHTMEQ-UNOMPAQXSA-N	525.374	6.120	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747014	JDTZJRNPNSDWDR-SXGWCWSVSA-N	672.542	7.594	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1cccc(C)c1	408747465	OINQOLXMTZLYBH-ODLFYWEKSA-N	603.254	6.495	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(I)cc1	408763232	OMFZUAXLCSJASW-KAMYIIQDSA-N	519.136	5.859	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	408763426	DTEGUDSDHPVHSP-VMMJCZBFSA-N	622.585	6.333	50	40	KKGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408765112	KFVPRTSIVSGHEV-GDNBJRDFSA-N	518.334	5.215	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccc(C)cc1	408790073	NBTNLJYPUIUVQP-LPYMAVHISA-N	504.970	5.958	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408794392	SDVOUVKPBIQLKR-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1Cl	408794749	SVDWNCBHFFMYAM-LICLKQGHSA-N	593.646	6.832	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408796973	QAFJXMDRQUEBCD-ZVHZXABRSA-N	662.334	7.613	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408797065	QUXVXUCAXKYYRJ-RGVLZGJSSA-N	529.851	7.733	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1c(C)ccc2ccccc12	408801917	WYXQWGPYUMNPBL-HZHRSRAPSA-N	507.546	6.580	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408823475	DMIBMNPTGILLPD-BUVRLJJBSA-N	699.372	8.700	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408828085	KZLYRQQLROSAAX-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408831016	URPIHZFZIJLXJB-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Cl)cn34)o2)cc1	408835804	ZICPZMKCFZIRQN-ACXHZZMFSA-N	576.078	5.353	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408841109	IZEAXOXTRMQCQX-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cccc(Cl)c2C)cc1	408842450	PBKHMDAOGXVDOZ-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408856772	LKJDQZNWIXEPCS-CAOOACKPSA-N	614.245	8.298	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(C)c(Cl)c2)cc1	408860407	UYCJEMPMZZWAFB-QLQYKETESA-N	612.151	7.035	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408863910	RRKVSYQBVJBISW-AGIUSIANSA-N	796.549	5.558	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)ccc1OCc1ccc(Cl)cc1	408864309	VKFBVDKJUCRTTG-JEPNHJGPSA-N	554.090	6.640	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408869295	QQKNQJZDCFKDAJ-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408869556	SOAVKHLMTDNNSQ-BCHBDCPOSA-N	587.095	6.870	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1cccc(I)c1	408879183	BZCJUEPVEPUCQE-RQZCQDPDSA-N	549.195	6.723	50	40	KKGB	
Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)c2)cc1	408882340	ORALIGWCTSLMDN-XDHOZWIPSA-N	554.238	6.593	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	408890823	ZTEDSIBBAKCWTH-GIDUJCDVSA-N	567.212	7.342	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(Cl)c(Cl)c1	408893569	GXQKNAGBPIZIHE-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(OC)c1	408894707	KTPPOXYBRCFPCJ-KKMKTNMSSA-N	629.676	6.067	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408905481	AQVSIMIVNFRRLI-KIZAIXKYSA-N	544.435	5.389	50	40	KKGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1	408948591	CYKIFUCNTUGJDO-FYWRMAATSA-N	520.445	5.318	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)c(OC)c1	408950293	GTTNDXHBZCYZBR-CJPARAFHSA-N	685.561	5.700	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1	408950707	SHGZZTPTJBGRGV-HHHXNRCGSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(OC)c1	408950831	HRJRPNWSEUSRKZ-FEFDWTNPSA-N	641.508	5.301	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408954550	RIPWRUSVDYUJPO-YSMPRRRNSA-N	550.456	6.928	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1C#N	408964849	SSTSNWBMUMHOMU-VVEOGCPPSA-N	579.316	5.533	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408968149	UMIIAGPMIFBIOS-PNQUVVCRSA-N	565.226	6.508	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(F)cc1	408982111	FWMKHYQPIVAYDC-NVMNQCDNSA-N	529.793	6.683	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1Cl	408984517	RRNSEWOLRXDNTH-FMCGGJTJSA-N	578.837	7.531	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409041298	UPYYZELILOCMFY-DLCNMLRHSA-N	605.319	8.314	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409069643	MDXYHCOECCKERF-MHWRWJLKSA-N	610.711	6.487	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409136013	VUIRMHQHSZJERN-HXUWFJFHSA-N	564.661	6.259	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	409223413	FKDBBRFLZZMPDB-MZJWZYIUSA-N	562.258	5.501	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1C	409254116	HTYGQARYYIUBKX-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OCC	409321402	GJHZZCMQKDRAEO-QRQIAZFYSA-N	507.543	5.134	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)SCCS1	409363533	MFDLQHKXRDPUDZ-BHGWPJFGSA-N	672.779	6.165	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccccc1F	409384396	CCZSGRQIWWGNFP-KKMKTNMSSA-N	558.385	6.063	50	40	KKGB	
CC[C@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC	409384589	DQMUTMMWZKLNOE-LITAXMHPSA-N	506.378	5.522	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409398110	QPWQDDBNVAHPSP-UHFFFAOYSA-N	547.611	6.534	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(Cl)cc3Cl)o2)cc1	409399951	ALQZFRIBCRFLGU-QMRORBIVSA-N	633.488	7.824	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)o2)cc1	409400142	BPUYJZBEOKIQBX-AEUUOICLSA-N	588.491	7.916	50	40	KKGB	
O=C(Nc1ccc2ccccc2c1-c1c(NC(=O)c2ccccc2P(c2ccccc2)c2ccccc2)ccc2ccccc12)c1ccccc1P(c1ccccc1)c1ccccc1	1857775712	DQKIOHHUGWDBKJ-UHFFFAOYSA-N	860.934	11.681	50	40	KKGB	
Cc1cc(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccccc1Br	650790	DLBDLBHVWLPIGV-RLWLMLJZSA-N	513.439	6.239	50	40	KKGB	
COc1cc(/C=N/c2ccc(-c3csc(-c4ccccc4)n3)c(Cl)c2)ccc1N(CCCl)CCCl	1707136	IZKAETXUPAJQEY-KBVAKVRCSA-N	544.935	8.174	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1Br	2593664	OGMRFVVUDAJJEK-IPPBACCNSA-N	597.560	5.648	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1	2670790	GAFBZYGFRDHFLW-PXLXIMEGSA-N	509.034	6.936	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	3664909	NQTZUVDKYKHRLA-QHCPKHFHSA-N	501.652	5.744	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3cccs3)NC(C)=C2C(=O)Nc2ccccc2C)cc1	6444297	HVWREOPAUMCLNV-AREMUKBSSA-N	515.660	6.016	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)/C(=C\c1ccccc1)NC(=O)c1ccccc1	8384599	YPUMCYQSCNKYEZ-ZIESHWKISA-N	514.379	5.630	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c3ccc(OC(F)F)cc3)c2C)cc1	13096530	PHMOAVOUCUYOIX-QTCOBDOFSA-N	508.521	5.816	50	40	KKGB	
CC(C)(C)c1cc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc(C(C)(C)C)c1O	50860839	IGSIDLMXMGHUDA-FZPRHHONSA-N	563.167	7.281	50	40	KKGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c1C#N	59427751	SLUMSSQTHZLOBU-VTNSRFBWSA-N	507.594	5.012	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(C)o1	59522999	QAMKSILVUGBOLH-MHZLTWQESA-N	528.634	5.612	50	40	KKGB	
CCCCCCCCCCCCCCCCN1C=C/C(=C/C=C(/C#N)C(=O)OCCCCCCC)c2ccccc21	97957892	YIGKKRFQVBXTJG-FOFJVPNESA-N	560.867	10.849	50	40	KKGB	
N#C/C(=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1nnc(N2CCOCC2)n1-c1ccccc1	97981619	QPDQFNYMKABTBD-PNHLSOANSA-N	548.650	6.779	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)OCc3ccccc3)=C(C)N2)cc1	98043582	XYCKCDXGHXXARY-NDEPHWFRSA-N	560.075	6.160	50	40	KKGB	
COc1cc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)ccc1OCc1ccccc1	98048434	JYKOUKQDZZATBQ-QFIPXVFZSA-N	532.065	6.456	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1	100227811	QGZRGDVONWZMKB-MTJSOVHGSA-N	586.857	7.085	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1cccs1	100889484	AYPRBODAGXDRAY-VWLOTQADSA-N	534.638	5.602	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3N[C@H]2c2ccccc2Cl)[C@@H]1Cl	101076834	MFHGWWLWCZKEAZ-MJVSKNTISA-N	540.299	8.594	50	40	KKGB	
CCOC(=O)c1c(-c2ccccc2)[nH]c(/C=N/NC(=O)NCc2ccco2)c1Cc1ccc(Cl)c(Cl)c1	101277550	DFBLWWQNQFLEBQ-WCMJOSRZSA-N	539.419	6.182	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccccc2C)NC(C)=C1C(=O)Nc1ccccc1	102719348	WSORVIPRBJXRTA-GDLZYMKVSA-N	538.673	6.100	50	40	KKGB	
Cc1ccc(-c2nc(/C(C#N)=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2NC(=O)c2ccco2)cc1	102862943	SPSKRZDPNNONPS-CYVLTUHYSA-N	522.542	7.196	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc2ccccc2c1	103884024	GYNOTDDHVLQRRE-USHMODERSA-N	552.074	6.727	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342281	OBZFUGUUICECTN-REOHCLBHSA-N	942.051	11.564	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	164732589	CMLFUALOBBLEQD-NSIKDUERSA-N	649.981	8.950	50	40	KKGB	
FC(F)(F)c1cc(P(CCCCCP(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1	169806277	REJBKBCMRUSFJQ-UHFFFAOYSA-N	984.483	14.573	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)cc1	211064924	WYNWJAYSYHOADM-VUTHCHCSSA-N	528.074	5.382	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](SC)O[C@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@@H](O)[C@H]1O	252438265	OYSKUZDIHNKWLV-FATZPVPESA-N	663.406	6.422	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408550648	FZPFUEGZWYPWJS-JAVCYFNSSA-N	719.865	9.602	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1cccc2ccccc12	408568654	VTRNQZXRQGVNLX-QXUDOOCXSA-N	573.531	7.570	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408583961	YYFCFAXIAULUPP-GIJQJNRQSA-N	566.222	7.258	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408641572	KNNXZSVXZHRVBZ-XKRYSZRTSA-N	690.172	5.408	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O	408643782	PYXLBGYZMPWAHG-OAQYLSRUSA-N	550.225	6.181	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1	408668706	DXTHCZXWOCDIGZ-ILHTXMRTSA-N	574.313	5.346	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2Cl)cc1	408677575	SAJGKXSZNPKZGM-WKULSOCRSA-N	512.393	5.635	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408678348	XKJKUZORAAXQOX-OCSSWDANSA-N	522.001	5.380	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccc(Cl)cc1Cl	408722222	FIXUAPOJMPYWGY-LKANYEMDSA-N	566.444	5.960	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Br)cc1	408724380	DTYFFNWENACLMO-MTJSOVHGSA-N	631.308	7.194	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2Br)cc1	408742541	PPTAMQZQQMZTNR-ODLFYWEKSA-N	526.228	6.645	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408745158	KLJGAESRJASMET-MFOYZWKCSA-N	542.773	6.144	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc(Br)c1OCc1ccccc1	408747803	TZFJGNHCNAMRCV-MZJWZYIUSA-N	609.258	5.804	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1I	408754898	LSZQWOKLNNVXCB-RPPGKUMJSA-N	568.198	5.379	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2Br)cc1	408755799	WHLKSDLVJOUGLQ-YBEGLDIGSA-N	655.162	6.596	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408765275	KZHVVQNMRBGARG-MFOYZWKCSA-N	530.191	6.475	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1Cl	408787116	RSDKCXATWLSMOD-BWAHOGKJSA-N	576.922	6.666	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1C	408795103	KDRQHWWFWHSKPX-UDWIEESQSA-N	587.255	6.795	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)cc1	408797010	QRIDAFZOOJKOJQ-SRZZPIQSSA-N	501.926	5.132	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1C	408798561	VXJSWMZJTDAUNR-WSDLNYQXSA-N	533.369	5.904	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(I)cc1	408799303	YUEXDHHFNOLORG-CIAFOILYSA-N	678.308	7.036	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccccc1F	408815066	RLNROPDKWPLXDP-CHHVJCJISA-N	646.081	7.624	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408819027	XSZDUYZNAGZPAV-JJIBRWJFSA-N	513.553	7.334	50	40	KKGB	
CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408824607	IMVVGXOIHPYJEK-DEDYPNTBSA-N	525.830	7.014	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408830140	RREUKCOJXGLXRV-KCSSXMTESA-N	575.609	5.323	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1	408837558	IQZRQWQUQRSDOK-VUTHCHCSSA-N	532.493	6.049	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)ccc4OC(=O)c4sc5ccccc5c4Cl)cc3)sc2c1	408839370	RFKRDXXLVDDBPO-YLYVUXRMSA-N	737.484	9.729	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408841651	GDUQWPQUAFSDJW-KVAAJVFYSA-N	662.949	7.561	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408844420	IMBBLGHDJURFQD-PDGQHHTCSA-N	669.801	8.483	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N	408850893	FQYPBGDPQAEZGB-TVMNXEJKSA-N	524.831	6.054	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(Br)cc1OCc1ccccc1Cl	408854228	AGWOPIWQMNFDQO-VTNSRFBWSA-N	580.910	7.252	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408859858	UHVJMCRTRNJOMZ-XODNFHPESA-N	547.902	6.382	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(I)c2)cc1	408860230	YZVCOTNDTKIXMZ-OJYCWLPVSA-N	629.473	7.539	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cccc(C)c2)cc1	408861193	PDUQFRBTYYOVDP-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408861580	SYFGXPUFPLENMO-ALQBTCKLSA-N	687.012	6.434	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccc(Cl)cc1	408884382	WXJZWBHGIOXMHD-VCHYOVAHSA-N	683.622	8.459	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)c(Br)c1	408890076	NKOYUTSXTXAFSK-FOWTUZBSSA-N	585.208	6.193	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2C)c(OC)c1	408900847	YAQGVMYHVXWJTB-VXLYETTFSA-N	552.381	5.808	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1cccc(C(=O)O)c1	408914701	YPAJTADMHWLTCA-KCSSXMTESA-N	589.442	5.121	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1cccc(C)c1	408965946	XWLXIQWJKXQGTB-CCVNUDIWSA-N	507.930	6.044	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	408995346	BMNUWYYASSQEHB-WCMJOSRZSA-N	666.282	6.355	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c(C)n1-c1sc2c(c1C#N)CCCC2	408997456	GKWFUIQDISFDOF-KYMQWJLESA-N	535.884	6.395	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccc2ccccc2c1	409009614	GWHSOBSOYFSHAX-IBBHUPRXSA-N	655.286	7.305	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC	409033677	OQWUBOUCJXOZBV-LJUMEUDFSA-N	623.447	5.611	50	40	KKGB	
C#CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409035968	RAXWXYUFIXMZRD-WKULSOCRSA-N	521.429	6.636	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)cc1)c1cc(-c2ccccc2)nc2ccccc12	409038373	VDMZENQODUDQDB-QHDYCIAZSA-N	507.593	7.398	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc2c(c1)OCO2	409038779	PJOONCJZVVHYLA-DLCNMLRHSA-N	657.464	6.587	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl	409049025	VOJGQJOZSVVCEF-VIZOYTHASA-N	615.536	8.296	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	409085626	CELJDMXIDLXDIT-OQLLNIDSSA-N	524.873	5.512	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccc(Cl)cc1Cl	409105221	HQPVGHXPMVLOPA-HSZRJFAPSA-N	623.230	6.132	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccc(C)cc1	409125885	BHQYFZXMOACPME-VWLOTQADSA-N	507.384	5.659	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)cc1	409158289	OHLDEDZGXZBXHG-IBBHUPRXSA-N	678.911	5.157	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3C)c(OCC)c2)cc1	409165990	BVWNDNUJCKDNNR-DPNNOFEESA-N	686.547	5.592	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409176106	HMTHFFQWVFTTNB-FJEPWZHXSA-N	680.711	6.974	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409181895	GMTDYMLGVJPOHK-MUFRIFMGSA-N	552.266	6.637	50	40	KKGB	
Cc1cc(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)ccc1Cl	409205039	NLSWGENSPKXMTJ-KGENOOAVSA-N	513.981	5.634	50	40	KKGB	
O=C(Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-])c1ccc(Br)cc1	409225691	NSBRRBFRDIZWGC-GATIEOLUSA-N	537.153	5.647	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC	409226021	SICHNHYERSCOMI-UHFFFAOYSA-N	677.464	5.619	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1	409226992	WYRQUHSZONFDPS-UHFFFAOYSA-N	610.881	7.281	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1C#N	409232889	IXOKTQWKJIMCSL-OCKHKDLRSA-N	556.338	6.473	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409246778	DJHJMVCVRTXFHM-YPXUMCKCSA-N	584.323	5.993	50	40	KKGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	409248681	FIONSGZZSRRHCB-XKJRVUDJSA-N	584.883	5.598	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)c1C	409253880	CDMHKUZNYRTULU-NVJOKUIPSA-N	638.154	6.372	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(C)cc1C	409256805	NLCKHFLUHGPICE-UDWIEESQSA-N	523.511	5.894	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1	409259134	WTROULCYWJPKRM-BOPFTXTBSA-N	526.376	5.574	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409316421	XOMNDJFRFRDNPQ-ZMFRSBBQSA-N	589.355	5.238	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OCC	409318743	XVEAAOLNMLPQQX-MWLSYYOVSA-N	672.925	5.672	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409319094	ADBLSRDALWYFEQ-VQTJNVASSA-N	568.866	5.155	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1OC	409322517	KFJYIMOZWJCZDD-QDTIIGTASA-N	552.252	6.506	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OCC	409325323	XYDYRIUMJJVFRC-DXJNIWACSA-N	531.609	5.139	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1cccc(C(=O)O)c1	409374806	ZSNALZMHTHUSCM-JAIQZWGSSA-N	579.394	6.216	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409395271	LUUAGFAREKAUAV-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395377	MWMWPBOCZNLFTQ-UHFFFAOYSA-N	538.947	6.380	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396918	CYUGXUTUOYWXJS-UHFFFAOYSA-N	593.983	6.260	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397275	IEPSDFRTXXTPDB-UHFFFAOYSA-N	509.518	5.428	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(=O)CCCCCC)CC[C@]4(C)[C@@H]3CC[C@]12C	504246586	PZBUHTHCCFTXDY-OJWOHPISSA-N	658.644	11.169	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1	3082843	UINXVDGXBHLQAJ-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
O=C(c1ccccc1OCc1ccccc1)[C@@H](Br)[C@H](Br)c1ccc(Cl)c(Cl)c1	3129280	LSRGURPJYDJEJE-RTWAWAEBSA-N	543.082	7.655	50	40	KKGB	
COc1ccc(OCc2cccc(Br)c2)c(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1	3167367	MYIYANJELQTWIR-JZNDDVEWSA-N	517.807	5.608	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)[C@H](C#N)C12CCC(c1ccccc1)CC2	3183698	UDIFBYLSKYEHFC-WYBLULDQSA-N	535.467	5.470	50	40	KKGB	
Cc1cccc(C(=O)N[C@H](C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(C)C)c1	4782794	UTCSSTMFUMIOKK-REIMYOADSA-N	535.475	6.210	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1C	6194248	RDMNYMYNYQCBBN-KGENOOAVSA-N	538.520	5.952	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1	8452647	DCRFUSFXIFQSKS-JJKQSNDFSA-N	621.410	5.200	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)c2C)cc1	13148131	JKNDLZFLEBYNIB-OHRBQBGYSA-N	530.669	5.425	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccco1	19939986	HSWLLTMHTBPULU-SANMLTNESA-N	514.607	5.303	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccc(OCC)cc1	20065176	CIPAFAVGGOCPJM-SANMLTNESA-N	503.624	5.191	50	40	KKGB	
CCCCCCOc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC	31858925	XSRYFRVNJITPQC-KNNQWDAGSA-N	510.660	5.016	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl	59101629	MTQANWUKPKPJSI-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
ClCCN(CCCl)c1ccc(CNCCCNCc2ccc(N(CCCl)CCCl)cc2)cc1	73372863	DQEQYCNSHYGJIS-UHFFFAOYSA-N	534.403	5.524	50	40	KKGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n13)C(=O)N2	97968862	WMZMZLVDNGOFTC-UHFFFAOYSA-N	538.611	5.707	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)cc2)cc1	97980604	POSZZINXPRDTII-KPSZGOFPSA-N	608.141	5.916	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2I)cc1	98001736	VOKSQHYJHQYPCF-KVSWJAHQSA-N	671.127	5.906	50	40	KKGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4ccc(Cl)cc4)s3)C3=C2C(=O)CC(C)(C)C3)c1	98006087	FHBBGLWZSGFONE-XMMPIXPASA-N	594.162	6.442	50	40	KKGB	
N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccccc2Cl)cc1	98048460	WNIZDEPVWNUXJO-HSZRJFAPSA-N	522.457	6.792	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303716	HOHFULROKIPKDM-HPNXWYHWSA-N	623.731	6.090	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	100380736	LFGQMSDJKBVRAG-ZCTHSVRISA-N	564.132	6.530	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	100956170	QJOWGAHRSPKTQB-IPPBACCNSA-N	577.877	5.549	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	101062423	KNLOCORNTCJCHA-LDVBQKTRSA-N	519.736	7.793	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	102932934	PHCUVRARTARXJC-CHHVJCJISA-N	537.186	7.333	50	40	KKGB	
O=C(COc1cccc(Br)c1)N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1	102936546	FDRVSGNTBRLRIS-QBISXOEUSA-N	530.850	5.047	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(Br)c2)sc2c1CCCC2	102988932	KWGYXGRGYYLGJT-GHXNOFRVSA-N	554.260	5.580	50	40	KKGB	
COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103592832	MHDCGSAUDKZQPU-YCRREMRBSA-N	553.192	6.871	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1Cl	103846272	FWYFLNJMTUGXTA-JMIUGGIZSA-N	554.861	6.982	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C/c1ccc(F)cc1	109089265	OGTIBPYTYVFTQL-LSJKGLAVSA-N	629.520	6.723	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(Cl)cc1Cl	112258514	DYNJNQXCROTQEZ-CAOOACKPSA-N	617.352	7.701	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCCCCCC	150382814	GNAKLUQNTHYFEP-ODXJFTARSA-N	849.015	14.387	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)CCCCC)CC[C@]4(C)[C@H]3CC[C@]12C	253499652	LUCINILKTDTAAV-QOTXEYBLSA-N	549.349	11.132	50	40	KKGB	biogenic
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1	408526700	DDFGVCWQRLQQJH-XAZZYMPDSA-N	597.375	5.850	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1Br	408539043	DUQQPAOFSAZGOI-QRQIAZFYSA-N	546.303	7.017	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408541863	IFPKUYZYLXCQCU-ULJHMMPZSA-N	521.642	7.049	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)c(C#N)c1C	408547403	WIDCEWVEPHVUEE-UFFVCSGVSA-N	574.456	6.037	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc1I	408547487	XSJVJCPNAGTZMM-VIZOYTHASA-N	672.282	5.598	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408552630	KKXSQMQNBPRNER-WOJGMQOQSA-N	670.504	6.204	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408568767	KVFUMIHRSKJINO-WCMJOSRZSA-N	644.613	6.181	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408673933	WDVUAXGCZVPWGQ-MHORFTMASA-N	554.666	5.327	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(Oc2ccccc2)cc1	408683340	HVXAGHUUXUTYOL-VPBXCIAMSA-N	567.425	5.389	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(I)cc1	408711617	BPFCRONSBRQSLY-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(F)cc1	408711881	OSRBAHSWALULPU-UVHMKAGCSA-N	597.222	5.934	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1Cl	408727770	GKODICAUDDCMMX-KKMKTNMSSA-N	531.790	5.112	50	40	KKGB	
O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1c2ccccc2cc2ccccc12	408731530	NLOKBEBDEBRXAO-RWPZCVJISA-N	559.449	5.944	50	40	KKGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408743365	SKCYAIILYLXHFK-ORDMUUPPSA-N	618.118	6.244	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408745390	RIJGJSQAAJTKIY-UNOMPAQXSA-N	507.930	5.780	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408748498	AZIGVZZFDPRFBW-ATZGPIRCSA-N	661.323	6.572	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1I	408752742	JVBVHEGZXBXYKR-LGMDPLHJSA-N	573.184	5.819	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1cccc(Br)c1	408759240	AKPSEXOSJSQNDI-WGOQTCKBSA-N	509.381	5.134	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1OCc1cccc2ccccc12	408759415	DPKHGVQHHNVBAE-HYARGMPZSA-N	521.411	5.346	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408761556	GRQGWIOPFDTHEK-LFIBNONCSA-N	651.289	5.832	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(OCC)c1OCc1ccc(Cl)cc1	408775951	KUMNGIGDRAVVQA-XYGWBWBKSA-N	531.052	7.379	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(C)cc2C)cc1	408788930	GNDYRFTZWXFQKY-FMFFXOCNSA-N	535.669	6.264	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccc(Br)cc1	408795380	LPUJCFCCEDJJEK-UDWIEESQSA-N	661.290	6.364	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408795685	MPVMDVAXALVIAO-MFKUBSTISA-N	541.445	7.434	50	40	KKGB	
COc1c(I)cc(I)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	408796687	POFOTCNURGNFLL-VGOFMYFVSA-N	558.157	5.067	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408810119	JWYGDNRTINTDGX-QDTIIGTASA-N	572.799	6.499	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408812246	OBKXFLHHNPRYIE-WBIBEUCMSA-N	677.824	8.974	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	408814468	ZFHOZSSIIXEYGD-KGENOOAVSA-N	531.837	7.689	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(SC)cc2)cc1	408825389	CTYYZHUKZAGJAV-KBVAKVRCSA-N	618.564	6.720	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)S(=O)(=O)c1ccc(C)cc1	408826271	GDAAZRZUELTXLR-FMFFXOCNSA-N	572.731	5.764	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408840237	CRRDRHVQWOCBDJ-JJKQSNDFSA-N	579.431	7.484	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408840373	YKQFZPMGCVRGHE-KKMKTNMSSA-N	547.261	6.987	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)c(Br)cc1OCc1ccc(Br)cc1	408843071	DAEZVDGISVXJFV-MZJWZYIUSA-N	546.259	6.262	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1Cc1cccc(F)c1	408872505	FMHKUJIBYSLXQX-CIAFOILYSA-N	507.403	6.686	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408883767	UUAXVHSHQJIBBZ-MHWRWJLKSA-N	526.730	5.776	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408886009	CRHQCAGNCBDPKF-OVCLIPMQSA-N	527.276	5.575	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c([N+](=O)[O-])c1	408889912	KVUXVQROYJHQAZ-RQZCQDPDSA-N	619.799	5.995	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2ccc(C)cc2C)cc1	408895088	SYSNVMKJBGQJRC-OCSSWDANSA-N	550.084	5.105	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OCc1ccccc1C	408926525	YJBVMNZHLVAUJR-LGJNPRDNSA-N	626.232	5.556	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)c(Br)c1	408948638	PQQCTEOVHBPTQB-NDEPHWFRSA-N	672.001	5.567	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408953956	QRBHZEIVDOOAAY-BKUYFWCQSA-N	605.464	5.752	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccc(Br)cc1	408964254	CLXZJUQQWQTRFF-KVSWJAHQSA-N	608.205	5.416	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccccc2)cc1	408981209	VGVGBLAXJLFOPY-CLCCEFQUSA-N	572.643	5.042	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408985113	VJTRKUWKLVYUCR-GIJQJNRQSA-N	641.720	8.083	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=N/NC(=O)COc5ccc(Cl)cc5Cl)cc4[N+](=O)[O-])sc3c2)cc1	408993859	XLDQQJUDEVIYSE-ROPCREHHSA-N	666.568	7.752	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409011080	DNBREDYUYSJGNR-LEOKNCPESA-N	613.973	7.018	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1	409013777	VJOFXWZRKYVOAB-AUEPDCJTSA-N	541.183	5.599	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409018418	WSWIEMPXELPAJR-VYVUJPJFSA-N	767.437	8.321	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	409025239	OJMYOKHZWADLQR-OPNWOVGQSA-N	570.671	5.426	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccccc1	409044841	DRBYBEOPPHMODR-UDWIEESQSA-N	534.410	5.638	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1	409082178	PMGSCKZSUAMLRH-NTEUORMPSA-N	522.266	7.258	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	409176301	JYVVTAOEBYMENI-KKMKTNMSSA-N	554.215	5.739	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1	409268981	CHYGSXUBAGHHGH-FYJGNVAPSA-N	625.463	5.879	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)ccc1OCc1ccccc1	409309891	NQTHZYOQCUWPIV-ZMGVVAQMSA-N	708.812	6.984	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1	409311482	GOPDCXNPOKQPLF-RTBURBONSA-N	556.265	5.436	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCc1cccc(F)c1	409318695	XSBMVXRBWAFKAR-HQDYHJHZSA-N	654.476	6.760	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)ccc1OCc1ccccc1	409321781	JLEGHJWEFGGRBH-APTWKGOFSA-N	589.486	6.778	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCc3ccc(Cl)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409326009	FOFPZNZKOUPRFF-OALUTQOASA-N	560.286	6.370	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	409333553	KIRZSPCDGYCXLL-QXPFVDMISA-N	500.558	6.792	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387933	YSCVYQOHQAJFJG-RPPGKUMJSA-N	544.814	6.568	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	409388006	ZRHZLRWFEQOJHX-MZJWZYIUSA-N	513.535	5.793	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)c1	409396005	VBLFPDVXGISAFQ-UHFFFAOYSA-N	659.378	8.268	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397017	FAPBHDJGRHDKHE-UHFFFAOYSA-N	553.618	7.370	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397224	HOKRPERMCVUEPH-UHFFFAOYSA-N	730.240	9.049	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)c1	409397344	IWZWLOYILBNUMK-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccccc1F	409405028	RTOYTOHZDYBPIR-KOKCXWAISA-N	707.540	7.751	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4)c(Cl)c3)o2)cc1	409406669	XNZRFSKRJDHSSK-AEUUOICLSA-N	632.942	8.025	50	40	KKGB	
N#CC1=C(N)N(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C2=C(CCC2)C1(C(F)(F)F)C(F)(F)F	721285	XPBQUFBHCFHSPQ-UHFFFAOYSA-N	535.495	5.007	50	40	KKGB	
CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)ccc21	1824198	AGCIEGZPICVURZ-OBGWFSINSA-N	567.468	7.783	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	1868007	UOXZOKCTFGTKQT-HHHXNRCGSA-N	598.939	7.458	50	40	KKGB	
N#C/C(=C/Nc1ccc(Cl)cc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	2287452	KEIURNDKERNHRI-XFXZXTDPSA-N	519.207	6.962	50	40	KKGB	
CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(I)c2)cc1	3090186	JUSQDIZKMNTETB-WTIJGKOKSA-N	553.400	5.001	50	40	KKGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2=O)cc1	13109580	CHJONKUSOLHEOH-KBVAKVRCSA-N	509.484	5.056	50	40	KKGB	
CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccc(N(CCCl)CCCl)cc1	19326355	JOQSNPOQFWYHOT-UHFFFAOYSA-N	568.637	6.509	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	97939454	ROBACSFQBIBGNO-LGJNPRDNSA-N	533.441	5.908	50	40	KKGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C/c1c(Br)cc(Br)c(O)c1Br	97965313	ZAVLFSXPAAYZHV-OPEKNORGSA-N	583.074	5.876	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C(C)/C=C/c1ccccc1	97965352	BROYUTUZQKOFRJ-NWSVXCFESA-N	586.503	5.367	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1cccc(NC(=O)C(C)(C)C)c1	97965753	BQCVKEGVYLUZOA-FZPRHHONSA-N	559.464	6.509	50	40	KKGB	
O=C(N/N=C/c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2)cc1)Nc1ccccc1	97984924	OZKLUQOFQLAQCL-RXTPMVGNSA-N	594.628	5.155	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cccc(OC(=O)c2ccccc2Br)c1	98001723	WHXSNSMATNQFOK-LUOAPIJWSA-N	689.980	6.485	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1	100037866	TZISFNSPQIWXNZ-QILCKVHPSA-N	537.320	5.722	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3C)o2)cc1	100139425	XQBRQBGTHSYVBL-ZMGVVAQMSA-N	613.523	5.683	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1Cl	100226570	RZOAUGDBKOEGRB-WQRHYEAKSA-N	593.248	7.121	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cccc(Br)c1	100396966	GHPCRFSNRYGHPS-UCMJSZAQSA-N	554.875	7.991	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1	102137072	WHPXTOFKZICNAG-RGXNXFOYSA-N	561.554	6.825	50	40	KKGB	
COc1ccc(C(=O)[C@@H](CC[C@H](CN(CCCl)CCCl)C(=O)c2ccc(OC)cc2)CN(CCCl)CCCl)cc1	102604661	ZEJMIHLNRJQZJS-WMPKNSHKSA-N	634.472	6.341	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528938	SUHZKSAMHAWFTN-REOHCLBHSA-N	592.002	7.117	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882983	VLULLXBJZGUTNN-UCQKPKSFSA-N	561.867	5.809	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=C\c1cc(/C=C/c2ccc(N(CCCl)CCCl)cc2C)ncn1	104050351	BVNYXORGCHEYLB-KYPMKJFLSA-N	592.442	8.002	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]34C)[C@@H]1CCC2=O	118934994	YQQLSJSHFADXQE-HZUBYSARSA-N	562.622	7.427	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	150363731	CKXWCVLXRVFYNA-ZHZULCJRSA-N	634.463	7.542	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(I)c1OCc1ccccc1C	150473134	NSPPVBCRDSCQHD-GIJQJNRQSA-N	626.800	7.405	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(I)cc1	164319452	VYJWQAVKRWULOO-XKZIYDEJSA-N	670.345	6.779	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OCc1ccccc1	408543488	PKHWDGAEDVURHB-CIAFOILYSA-N	549.412	6.826	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408544873	YEDIZTSUXUPVCQ-KQWNVCNZSA-N	564.667	6.531	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408568285	SLJQMBNKDMALDZ-CHHVJCJISA-N	608.636	7.366	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	408581428	WMUOIUXEYGMQBN-NTUHNPAUSA-N	622.549	8.004	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	408588401	VYOWIPMIIJRCTM-IUXPMGMMSA-N	568.092	8.170	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1	408611193	QEERBFYZGHGILA-XODNFHPESA-N	549.252	5.986	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408611395	QULBCRKAEBUCGY-WKULSOCRSA-N	528.392	5.235	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408612123	XOGUGTKJEAOBBP-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1)Nc1ccc(Oc2ccccc2)cc1	408691271	ZDDMRXPWHPSQAH-WGXFHILCSA-N	579.436	5.245	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1	408743963	ITWLHISRMLAOLL-LSCVHKIXSA-N	617.237	6.216	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(C)cc1	408747202	KLBVLQYBSJBVIV-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408755588	ORQGVVUYXCDADA-PDGQHHTCSA-N	667.319	6.074	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1	408757006	VMZOYYKNJNOMMG-DHRITJCHSA-N	582.270	5.060	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OCc1cccc2ccccc12	408760402	YBTHOHVKDABYAT-HNSNBQBZSA-N	505.574	5.895	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408767277	YVPDSKMKEVFCQK-NVMNQCDNSA-N	601.251	6.643	50	40	KKGB	
C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(Br)cc1	408783486	LVCLKYYOPCJWIN-YYYGAUAXSA-N	508.441	5.377	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408783876	OBOWBTKLUYTCLF-STZFKDTASA-N	524.448	6.973	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)c2cccc(C(F)(F)F)c2)cc1	408786758	NDJZVMSDQCWBSJ-CCVNUDIWSA-N	554.388	5.122	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(F)cc1	408790783	YPOZJFQUEODDCJ-CIAFOILYSA-N	570.402	6.571	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408797284	RCNGITGELICKAS-GIJQJNRQSA-N	703.145	7.890	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1F	408817875	YONRLSRSZDBSLG-SXGWCWSVSA-N	520.185	7.020	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccccc1F	408818922	YVSZGFQAYUQANQ-ODLFYWEKSA-N	523.305	5.427	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408825319	AARKFUFTOMKOSC-VWJSQJICSA-N	596.414	6.618	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cccc(C)c2)cc1	408827398	GXMBFTHCBZNAKQ-ZCTHSVRISA-N	572.643	5.136	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408832139	PZPUGZWZLFRULZ-FDAWAROLSA-N	582.078	5.034	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	408838253	UAHYQEFDHIUETD-FADJLKOXSA-N	609.704	5.782	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccc(C)cc1	408839917	BIYCNBHMMHHCGW-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840560	ZHTYVHPMKKQIOF-AABVJFSESA-N	696.852	9.075	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(C)c(C)c2)cc1	408841028	IKMMQHIBAPMYQS-BIZUNTBRSA-N	586.670	5.445	50	40	KKGB	
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1	408844745	PGRSPNFJOLBUEQ-JQAMDZJQSA-N	503.333	5.914	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(C)c1	408849511	WLUNRPIGZFRGBM-MBTHVWNTSA-N	507.384	6.245	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc(Br)ccc2o1	408854280	BMINPXAPEZDIST-FXMZOFOKSA-N	597.090	7.608	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1	408860704	CHCRBFKEUMEKEF-VUTHCHCSSA-N	507.656	5.136	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408864954	AFQNRDYUTZVDLB-NNLKUIAGSA-N	661.040	7.909	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)Nc1ccccc1Cl	408877812	URDJWDBTOIQZSF-GUBAARJWSA-N	653.160	6.517	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c(C)n1-c1ccc(Cl)c(Cl)c1	408879159	CRIYLOIHFPGPMD-CXUHLZMHSA-N	536.200	6.551	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccc(C)cc1	408880383	JPPBEAGAWOSCLY-VXLYETTFSA-N	603.254	6.495	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	408880973	JQOCZBPHRJQYNB-LGJNPRDNSA-N	540.464	5.829	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Br)c2)cc1C	408884802	ZUOMNFVAIQGZHP-CIAFOILYSA-N	524.256	6.965	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408884851	VQLPLWQLKDNXMO-RDRPBHBLSA-N	544.073	5.182	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl	408890662	XIAQMWXJCMDRQP-GZTJUZNOSA-N	512.349	6.343	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)c1cccc2ccccc12	408893696	GUXOVFRRTQHJDO-FDAWAROLSA-N	523.386	6.739	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408897697	ZKIQVMHQLPYHQM-YBFXNURJSA-N	589.895	6.431	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408912566	NXCBMDGFSYTWTL-OKCVXOCRSA-N	517.423	6.327	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4Cl)S(C)(=O)=O)cc3)c(Cl)nc2c1	408921340	GNOUYFBGWBZRFY-WKULSOCRSA-N	557.459	5.280	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc(Br)cc1	408942099	FPBNLDDDHDPWPI-HHHXNRCGSA-N	889.348	6.122	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408945015	JZSRWFZXYOXQRX-LJAQVGFWSA-N	706.048	6.510	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(C#N)cc1	408945983	MAEPCWVXFKOERH-MUUNZHRXSA-N	741.462	5.547	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br	408947882	DJGMUJPNJRFFHZ-SXGWCWSVSA-N	517.221	5.357	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(I)cc1	408948855	HCUDPYLDTWWVKI-HAHDFKILSA-N	591.449	6.016	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cn(Cc2ccccc2Cl)c2ccccc12	408950124	RPWFSVFMIVUWSZ-PMERELPUSA-N	616.143	5.228	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408972670	QMOGXBAMCCZIDI-KYQJZERDSA-N	587.342	5.993	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	408974074	WRKAPGQHFJRTQE-VAMGRBCYSA-N	658.174	5.869	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccccc1	408976669	BPFVOQYSLDQNHU-BKZXGXTDSA-N	574.475	6.509	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Br)c1	408991140	ZFXJEFSMIBEEOY-OCKHKDLRSA-N	574.700	7.607	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1	408996216	GUUTWEOQNKKORD-DJUYZOMTSA-N	598.453	6.093	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1O[C@H](C)C(=O)O	409011771	ILSDTYTUOQNNSN-KQZHBISXSA-N	559.622	6.436	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCc1cccc(C)c1	409012832	LGSWKNDOURKKQA-VVEOGCPPSA-N	712.176	7.612	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc1ccc(Cl)cc1Cl	409014014	LQJFBXHOEMGTNZ-VIMSVTEUSA-N	572.533	6.776	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409015199	OGGQGQVAAMZPJS-FUYUQSPLSA-N	585.315	7.009	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1cccc(C)c1	409017855	ICBIHEWLFYAHES-NUJZUDFISA-N	588.829	6.741	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025315	PNNMWPRPJBIFMS-OXDIXYSQSA-N	578.090	6.016	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccccc2OC)cc1	409027213	CJRDXWJWJCSVRH-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)Cc2ccccc2Cl)cc1	409062901	COEZMBKTCZVXAF-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc2ccccc2c1	409078254	IEFRUXOWADKBBH-UHBFCERESA-N	584.841	6.839	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409084286	AYMQKAYGJORVSW-MHWRWJLKSA-N	546.299	7.023	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c2cccc(Cl)c2)cc1	409109329	BSNONTJFCRLPJE-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409140628	GZMZKIXYVKVGOF-RUZDIDTESA-N	554.460	5.550	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C2=C1CC(C)(C)CC2=O	409148086	OLPHBDDPSFXFIJ-VWLOTQADSA-N	540.035	5.449	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1cccc2ccccc12	409148142	XKSXMGBNLQJXIP-SANMLTNESA-N	592.433	6.237	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N	409187561	RXONJSVSMDIXHD-ISXBZDSPSA-N	577.280	5.998	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc(C(=O)O)c4)c(OC)c3)cc2c1	409188004	WGAICOOODTUHAB-NUJZUDFISA-N	567.392	5.644	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409194116	OCKRNAXFLNFVCN-KKMKTNMSSA-N	534.769	5.032	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CCc5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	409218724	GOFFTKWMHQOTLO-VJYFDHCXSA-N	574.080	5.934	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409219219	OLYPELQJDLUXNI-CIXMRZNASA-N	618.473	6.646	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12	409219391	PWXABOKNNDHNTA-DLYNBZAKSA-N	614.916	6.542	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccccc2)cc1	409219973	SEIDTMUCTZDZNN-FZPRHHONSA-N	576.487	5.849	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	409222288	BQFJPIMYNPVEJH-LJUMEUDFSA-N	556.962	5.792	50	40	KKGB	
CCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1OCC	409223680	GXUORYIMXZKZDK-UHFFFAOYSA-N	516.381	5.118	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409225334	MXFAEIPHWZGTHM-FSXDBWDKSA-N	761.210	8.062	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409241804	VAMDXDRJVHDMCA-FPJJECCMSA-N	550.409	6.119	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)c1	409254611	ZRZSEBGLXWUZAK-JAIQZWGSSA-N	508.405	6.482	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)cc1	409258623	UYGWGGZOGIJLIH-KGENOOAVSA-N	548.437	6.028	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409262106	CRWVYHQOGLAQRQ-ADJDCTSUSA-N	719.061	8.376	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409262582	IYZXHGUPOGFNGP-OAQMXIGCSA-N	800.506	8.954	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(C)c(Cl)c5)cc4)cc3)cs2)cc1	409266787	YKMDXMXPCYFCGM-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OCC	409306432	ZXEDYMDBFMGKIG-FZPRHHONSA-N	693.966	6.621	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc(C(=O)O)cc1	409317956	SVJQVSHVLYCMSW-APTWKGOFSA-N	554.599	5.714	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409326791	OFOIXOYAVWNTJO-SFTDATJTSA-N	568.866	5.155	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(OC)cc3)c(OCC)c2)ccc1OCc1ccccc1	409388954	YLFQAEVEYITWSS-QJOVZPHJSA-N	676.564	6.616	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)cc(OC)c1OC	409396364	XZCUCTHPNLAPPF-UHFFFAOYSA-N	712.984	8.413	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(CC)cccc4c3-c3ccccc3)cc2OCC)cc1OCC	409396437	QLVNVCUJORXSEB-UHFFFAOYSA-N	619.718	7.577	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409396727	AMENYABEZOUZGQ-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)Nc1ccccc1C	409406189	WEBXPHUYNZVEPU-FRKGHFGRSA-N	764.471	7.890	50	40	KKGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cccc2[N+](=O)[O-])ccc1OC(C)=O	409410226	UBQCGMAIJYRFJE-WBIBEUCMSA-N	666.643	6.091	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc(Cl)cc1Cl	1529549433	YWWDVOYXVILDBT-JQJFYRLNSA-N	879.342	6.667	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1	1531386448	ZBMBBUVGVPTXBL-GXBUFBABSA-N	549.627	6.618	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	661062	UHFBLNOUTUKPSR-OAQYLSRUSA-N	520.210	6.150	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	1283377	CAHKIBRGYIZGPF-LJAQVGFWSA-N	554.672	5.800	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	1769545	UTAMRCZEERYKJI-LFIBNONCSA-N	515.816	6.553	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1	1887996	MOOPGKBDIVHVIO-YMGIJWJESA-N	518.436	5.823	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)sc2c1CCCC2	2200309	SLUZQIXVJCLKQH-QINSGFPZSA-N	514.470	6.666	50	40	KKGB	
N#CC1=C(SCSC2=C(C#N)[C@@H](c3ccccc3Cl)CC(=O)N2)NC(=O)C[C@@H]1c1ccccc1Cl	2309951	VKOUTMOJGUIHEU-IAGOWNOFSA-N	541.485	5.795	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(I)c1	4047960	LVPZEZLJWLMCSN-RDRPBHBLSA-N	549.412	5.085	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)sc2c1CC[C@H](C)C2	6167134	MGUKFYCYCXLKNF-LLYJQFAYSA-N	602.540	6.526	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@H](c3ccccc3F)Nc3ccc4ccccc4c3[C@@H]2[C@H]1Cl	8426383	FCEVFWRDUFKIQW-OMWFFTDKSA-N	505.014	7.926	50	40	KKGB	
Cc1ccccc1Cn1c(C)c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21	9879457	QIKAJDHRVRVSPG-JFLMPSFJSA-N	507.375	5.675	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc(OC)c1OC	12578331	TUKFTEDENARWMF-GIDUJCDVSA-N	504.395	5.612	50	40	KKGB	
C[C@H](Nc1nnc(-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc12)c1ccccc1	59228308	HCEVCINOBTVHOF-MHZLTWQESA-N	559.653	8.381	50	40	KKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Cl)[C@H](Cl)c2ccccc2)cc1[C@H](Cl)[C@@H](Cl)c1ccccc1	68563596	BCPUHZDSXYHLJT-LRSLUSHPSA-N	514.192	8.023	50	40	KKGB	
CCCCCCCCCOc1ccc(/C(C)=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2)cc1	97958692	JIIVHJNHZRTEBQ-AWSUPERCSA-N	550.725	6.353	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(C(F)(F)F)c2)cc1	97965818	HGZUJWKNQNDSBZ-CPNJWEJPSA-N	545.355	6.991	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC	97981642	MDLFPJQFFDLLBE-XMHGGMMESA-N	553.644	5.141	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(=O)OCc3ccccc3)=C(C)N2)c1	98000113	HQVBFJZYGNAUKG-NDEPHWFRSA-N	560.075	6.160	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100118490	VOQPTGAEUUEUSK-FADJLKOXSA-N	597.140	6.907	50	40	KKGB	
CC/C(Cc1ccccc1)=N/NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1	101535638	NUXJEHLFAMMHMY-NPOVLEECSA-N	624.552	6.090	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC3=C2C(=O)CC(C)(C)C3)cc1	101562944	LQSSFKQCMUJETB-DEOSSOPVSA-N	541.595	6.151	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Br)c1OC(=O)c1ccc(OC)cc1	104055729	YCPHLJVQHAGXHV-LDADJPATSA-N	535.419	6.749	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	105622124	JVGOCGCKIGUVRS-CCVNUDIWSA-N	540.432	5.369	50	40	KKGB	
O=C1OC2(c3ccc(N=C=S)cc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I	150338837	RUJDFARUCNPRBA-UHFFFAOYSA-N	892.972	6.819	50	40	KKGB	
Cc1cc2c(C(C)C)c(O)c(O)c(/C=N\NC(=O)C(c3ccccc3)c3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N\NC(=O)C(c3ccccc3)c3ccccc3)c2c1O	150349364	PNVBXOUXEPWOBR-GBDYQYMBSA-N	935.090	11.322	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795258	FPXGOPDJPGZONE-SYDPRGILSA-N	859.993	9.971	50	40	KKGB	
S=C(Nc1nnc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)s1)Nc1ccc(Cl)cc1Cl	169810963	KBDJPLYFZFRYTB-YFYLHZKVSA-N	601.448	6.782	50	40	KKGB	
CO[Si](CCCCCCCCCCCOC(=O)c1ccccc1C(=O)c1ccccc1)(OC)OC	198065972	NJYKSLNLOHWCAS-UHFFFAOYSA-N	500.708	6.463	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	216063411	PHJOOUIJUDUWPC-FJEPWZHXSA-N	580.306	7.286	50	40	KKGB	
CCCC[C@H](CC)C(=O)O[Si](OC(=O)[C@H](CC)CCCC)(OC(=O)[C@H](CC)CCCC)OC(=O)[C@H](CC)CCCC	248292098	UNKOLEUDCQIVBV-HPQIJTKRSA-N	600.910	8.460	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408528543	HVQXADTXFJWUGB-KKMKTNMSSA-N	670.245	5.254	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2Cl)ccc1OCc1ccccc1	408537595	GBRYGRBSRRIYLX-AEVGBRMKSA-N	646.596	8.746	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408543188	NDZRCCLKBHXQPM-LSCVHKIXSA-N	590.257	6.977	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1cccc2ccccc12	408543709	SHOWHBGMZAZUFT-UUYOSTAYSA-N	604.400	6.276	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)c1	408744895	IAGUUDRIXKCRJC-QRVIBDJDSA-N	606.314	7.888	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1	408748775	HHLTXSOKWWVVCW-LGJNPRDNSA-N	548.231	5.572	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408756430	ZKNLOWWFZHJJJZ-WJDWOHSUSA-N	562.387	5.614	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408772284	GDWQWJSKOBCYMM-WGARJPEWSA-N	510.081	7.761	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3cccc(F)c3)cc2Br)cc1	408788675	FEKKNAYBYPMDFL-FYJGNVAPSA-N	567.411	6.288	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1C#N	408794869	JJWCEOQWLVFEDP-SSDVNMTOSA-N	516.395	6.071	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c(C)c1	408797589	SFCWSMXEZWVXSP-RGVLZGJSSA-N	540.255	6.953	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1	408798841	FZWZDWPVYPBIQD-VXLYETTFSA-N	555.812	6.022	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1cccc(C)c1	408811230	ACSVLFKTPFJXMG-NDENLUEZSA-N	556.375	6.262	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1Br	408822506	CCAYDRXJPXHLRN-PXLXIMEGSA-N	503.396	6.447	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCc1cccc2ccccc12	408825036	IWXGCUGXVIFKAZ-OEAKJJBVSA-N	543.019	7.034	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408826207	IWIFDWFNKMISIN-VFCFBJKWSA-N	559.065	8.505	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408838853	JGPSCSOCCRDHEW-XJECJHNESA-N	662.009	8.630	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccco1	408840444	BHNOJGHEDSWBNO-WCMJOSRZSA-N	566.397	6.221	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408844003	HQNOVNIZUYOJRD-FXMZOFOKSA-N	672.086	7.044	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408861954	FIZBMLLZNCIDAH-KVSWJAHQSA-N	568.320	6.727	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Cc2ccccc2Br)c1	408865205	BVYUSFZNKJEKHI-YZSQISJMSA-N	553.456	7.173	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(C)(=O)=O	408873081	RGPZCYIDHWSOAG-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)c([N+](=O)[O-])c1	408878730	BNEBTMBETOIZED-GZTJUZNOSA-N	507.886	5.030	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1c(Cl)cccc1Cl	408882712	QISIZAGLSUGSTF-VGOFMYFVSA-N	567.212	7.342	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)c3cccc(Br)c3)cc2OC)cc1	408886160	IMTSVWNBSJMYIV-LGJNPRDNSA-N	562.214	5.212	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1	408888757	ACTPMGOFCSSDDQ-DEDYPNTBSA-N	510.999	5.669	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(F)cc1	408888993	AIKXFZCUMCLCOP-VCHYOVAHSA-N	525.330	5.420	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408894875	JOQSNQCZIFIAJQ-CXUHLZMHSA-N	562.387	5.532	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408903925	BGOHJJVYQORCFO-ULPWCQAASA-N	562.793	7.043	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c(C)n1-c1cccc(Cl)c1	408924623	NHFDEMPPKMRAQE-LICLKQGHSA-N	501.755	5.898	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1	408951364	TVYOPOULGFVVIQ-HHHXNRCGSA-N	750.897	6.329	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408952316	JZSVTNXCLUBLEY-LQKURTRISA-N	607.286	6.114	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc(F)cc1	408954171	YSIZMXJKAVGXNC-HHHXNRCGSA-N	828.442	5.499	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1F	408965743	XMYFQXIONYGFGW-VVEOGCPPSA-N	539.323	6.349	50	40	KKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccc(Br)cc4)c(Br)c3)oc12	408970313	FVGKKGJTJSVJQW-UVHMKAGCSA-N	558.226	6.309	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)n1	408978493	MLNNDAHGOKGALD-GIJQJNRQSA-N	609.205	5.536	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	408980925	ULGUUWGPJCZDKR-RZWSOBKFSA-N	579.498	6.464	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(I)cc2)cc1Cl	408990164	NALWNNNYCXIXMW-UNOMPAQXSA-N	528.777	6.378	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408991043	MLACTLHIMHLCMS-APTWKGOFSA-N	508.021	7.244	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccc(Cl)cc1	408993968	XSFFMLLYKIXXFF-MVTHDEHNSA-N	576.053	5.029	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	409011525	FZOJDDXKTDFKCE-ASBCUXTASA-N	617.327	5.413	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409019407	YZCYCUNFDDBIBY-ZLTBPCRRSA-N	692.555	7.777	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc2n1C	409020001	YOSRHOUMMOXUNQ-VIMSVTEUSA-N	565.501	5.830	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1cc(-c2ccccc2)nc2ccccc12	409029471	AEXFRTLVSXFVJM-MNDYBZJGSA-N	531.355	7.141	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)cc1	409036282	VJRVHURXZAFMAH-DPNNOFEESA-N	597.538	7.968	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1	409045747	HKWYTFIPAIZCKQ-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1	409046756	LSYRCXORHGMJKF-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409065000	RNBKTOQUNUDVKE-HZHRSRAPSA-N	541.608	5.621	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409089081	LSQZRJWZKHUSKJ-NVJOKUIPSA-N	648.122	7.102	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OCc1ccc(Br)cc1	409142830	GHVIETRSWKIOLI-RPPGKUMJSA-N	593.228	5.567	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C2=C1CCCC2=O	409147969	NXFAJWNVFUTNLM-OAQYLSRUSA-N	561.249	5.660	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	409148451	PULCKAGNIQKUOH-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	409152612	KMZHARVFQDDFOI-WKULSOCRSA-N	563.279	6.594	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409162334	UKXNFYDSYKTENE-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3C)c(OC)c2)cc1	409173698	QJZIFPQIIBBRJT-KPGMTVGESA-N	645.938	5.705	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	409179649	RAJZOPNBPWNKQE-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409221831	BDHQDCJNPGTSFE-CTRCZWQYSA-N	632.898	6.746	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409225943	ROWVYPVQFLWVQH-MHWRWJLKSA-N	512.349	5.271	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1	409226861	WGXQWFLACYVYCG-UHFFFAOYSA-N	662.493	5.719	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409227190	UBGYNCCHHHCGJZ-UHFFFAOYSA-N	723.727	8.119	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)n1	409228947	HNYLFRNUIFDIDJ-WCMJOSRZSA-N	572.760	5.936	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1I	409239618	HRNBTGBXCGUBBY-LWLPBDFMSA-N	572.184	5.079	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409249389	HTBCOCIXNZCEEV-RQZCQDPDSA-N	636.273	6.478	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409254109	DBSXHHCZXSMIPK-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409258662	YOGWJWVHCIJJLI-WKIKZPBSSA-N	530.806	5.201	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2Cl)ccc1OC	409313975	DSBLNJANUHASJK-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
CCCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1	409325179	XDVPZAIPXZHNID-MBTHVWNTSA-N	576.285	6.352	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCCOc3ccccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409335800	YJGXASJWAQZDHI-PMACEKPBSA-N	555.867	5.595	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(Br)cc1	409368696	IHXFTEVYHOZYGX-KBKYJPHKSA-N	695.520	6.655	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2F)cc1	409383507	ZFEALICXZVOPPP-ATVHPVEESA-N	524.346	5.160	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409392022	NAUOQKQEUAZZCO-GRSHGNNSSA-N	503.942	5.965	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)cc1	409394462	ATNHNYPYJGMDAC-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396292	JYXDZDHKBZNEIE-UHFFFAOYSA-N	649.069	7.955	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396296	KIRYWSQKEOOHPU-UHFFFAOYSA-N	636.026	7.898	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409397545	LBYDKCNEFSLSHY-UHFFFAOYSA-N	557.528	6.845	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4cc(Cl)cc(Cl)c4c3-c3ccccc3)cc2OC)cc1	409397842	OODIJKDJJBLDQG-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCC(N)=O)cc4)c3C)o2)cc1	409399983	ARZPDJJIEHPIES-AEUUOICLSA-N	579.657	5.302	50	40	KKGB	
C#CCOc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409400852	FSYCRQPDHNPXHR-ZMGVVAQMSA-N	655.343	6.576	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC(C)(C)C	409402278	JPIFJZGJRFQTLT-UHFFFAOYSA-N	515.610	6.216	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)c(Br)c3)o2)cc1	409406769	CNGCCKFCMINHBI-MWLSYYOVSA-N	535.442	5.859	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccc(Cl)c(Cl)c1	1529548979	RJMTWQNRRVHQEU-JQJFYRLNSA-N	832.342	6.825	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccco1	1257613	BAEKKTLBOWSPPZ-GDLZYMKVSA-N	550.640	6.148	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccc(Br)cc1	2675472	RFZIQTVVCUNNKQ-WKULSOCRSA-N	539.426	5.638	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1Cl	2709761	PTDKJJFDWFENHB-KKMKTNMSSA-N	562.280	5.641	50	40	KKGB	
C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1ccc(O)cc1	2738662	FHLCEZLQGRFZPS-MKWQWOMNSA-N	522.634	5.369	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	2805860	RHIIKWOZDOANAE-KBKYJPHKSA-N	517.754	6.558	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc(Br)c1O	3241910	JRWVOXWKPQAYDC-BRJLIKDPSA-N	528.453	5.829	50	40	KKGB	
O=C(O)[C@@H]1[C@H]2C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]2c2cc(Cl)cc3c2N1C[C@H]1CC=C[C@H]31	6445770	WJEJCBPKPWKMSC-UIXHFJTQSA-N	517.434	6.067	50	40	KKGB	
N#C/C(=C\c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1)c1nn(-c2ccccc2)c(N)c1C#N	8442624	SDXMFGAVBQTGHI-DFEHQXHXSA-N	544.582	5.094	50	40	KKGB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)c1	16804873	ODUQNTPYQFHDLE-ZIQKBVDBSA-N	504.634	6.811	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	20195234	UNBTVNZHCAYZPM-AMVVHIIESA-N	519.856	6.934	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(Br)c(OCc4ccccc4F)c(OCC)c3)cc2c1	97960977	OCOXBELTPPFIBN-FJEPWZHXSA-N	555.400	6.475	50	40	KKGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(COc2ccc(I)cc2)o1	97968904	AVUIBLSHLHUTMO-OPEKNORGSA-N	514.241	5.246	50	40	KKGB	
O=C(Nc1ccccc1Oc1ccc2c(c1)C(=O)OC2=O)c1cc(C(=O)Nc2ccccc2Oc2ccc3c(c2)C(=O)OC3=O)cc(N2C(=O)c3ccccc3C2=O)c1	98001504	NHFKTNYJNPRDJD-UHFFFAOYSA-N	785.677	7.198	50	40	KKGB	
C=CCn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	98045852	MZWRYKOARMPBGB-XODNFHPESA-N	631.350	5.669	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	100030300	RNLDPHTZAJVDRT-NUJXTVFKSA-N	546.671	6.033	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126442	VPYQGBAUCXVEKH-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nnc2-c2ccc(Cl)cc2)cc1	100242317	QSBOLKNEZSLORC-QXUDOOCXSA-N	598.128	6.808	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl	100258276	QHSVMOYYEXEIRP-OCSSWDANSA-N	555.487	5.990	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccccc1	100286868	BNTFSBFCQCKESP-UZWMFBFFSA-N	537.641	5.656	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)c2csc(-n3nc(-c4ccc5ccccc5c4)cc3C(F)(F)F)n2)cc1	101380511	YROBIUIIEUYNNB-IBBHUPRXSA-N	534.567	5.998	50	40	KKGB	
Cc1ccc(-c2nc(CN(Cc3noc(-c4ccc(C)cc4)n3)C[C@H](CCl)n3nc(C)cc3C)no2)cc1	102754162	OWDPKEYFALNSSH-DEOSSOPVSA-N	532.048	5.699	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1	103900609	SERAQTHHBSHOJM-BIZUNTBRSA-N	623.087	5.572	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OC(=O)c1ccc(Cl)cc1	104580846	NSCSGYDUGQWDCH-VULFUBBASA-N	548.764	5.326	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc(Cl)cc1Cl	108230223	XQYWMWBRQGZCNS-CCVNUDIWSA-N	500.382	5.693	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CBr)CC[C@]4(C)[C@H]3CC[C@@]21C	118926159	ZOLSIZBHXGOWHP-MSZUPSMGSA-N	507.597	8.335	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341887	XJPQGZABMPIYRI-FQEVSTJZSA-N	1026.530	16.382	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	150452918	XAYUNERBBFGSTG-QXUDOOCXSA-N	675.609	5.000	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408526601	CQEQDQRMQASTFQ-KLPHOBTLSA-N	526.342	6.162	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1ccc(C(=O)O)cc1	408542679	MZMCQOIDMJXCAE-NVMNQCDNSA-N	733.081	6.842	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)c(C(=O)OCC)c1C	408546331	HAFFTCHURGWSBY-YDZHTSKRSA-N	572.639	5.588	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccccc1	408570508	WDACRAUMKIYUJS-RWPZCVJISA-N	573.534	6.044	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408580774	RRFARTRFYPBWKI-CAOOACKPSA-N	550.269	8.089	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408646230	ILFSFPHFLIZIML-UDZALUMHSA-N	783.684	6.884	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccco2)cc1	408648768	KEZOZEVOFPPFQR-LIPVWZTLSA-N	704.755	5.170	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1)NNC(=O)c1ccccc1Cl	408669611	XJZJLZPGPDHATC-UHFFFAOYSA-N	588.842	5.008	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)ccc(Br)c1Cl	408690476	VMWFSFVTOYTIBU-CGJYQSBYSA-N	614.707	5.177	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408724304	AHXMMKFRLRCDBY-NDENLUEZSA-N	507.384	5.899	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408724591	CDJCOGKXGUKGAJ-YVLHZVERSA-N	589.773	5.986	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	408728798	UIRZKWCAJIHGBJ-KBVAKVRCSA-N	551.868	6.926	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408733226	GQHDEWBLCAPWQL-RWPZCVJISA-N	508.983	5.945	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408748150	ZEIBKXOWIJITDN-SXGWCWSVSA-N	581.091	7.643	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1I	408763061	HDLSAGUURNPALY-KAMYIIQDSA-N	519.136	5.859	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(Cl)cc1	408788079	IDPNHYTXOYGDNU-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)cc1	408794129	HYMBSHCJILVECC-HZHRSRAPSA-N	544.392	6.878	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795412	VIBIXGARYORMSW-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2I)c1	408798945	XMRNPBVSTDRHSD-YBFXNURJSA-N	539.329	5.633	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCc1ccc(C)c(C)c1	408833748	SNRQTWYGOATUGA-WSDLNYQXSA-N	521.013	6.497	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)c1	408839239	PFRXUBVWYCHERU-FABQOPTDSA-N	582.081	7.407	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408839537	UFEUARISYVOFBK-XJECJHNESA-N	671.573	7.674	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4cccc(F)c4)cc3)cs2)cc1	408839782	WHSTXUSROZILAH-KVAAJVFYSA-N	615.528	8.107	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(I)cc1	408842982	COYFZZQLNVRILG-LRIZEKIPSA-N	681.574	8.137	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)Cc1ccccc1	408845804	RTCUBIMAPIKKRW-ALQBTCKLSA-N	590.463	6.556	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408847162	PNAISDPXKYMANH-QJOVZPHJSA-N	638.518	7.265	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(F)c1	408852329	SLWIGFPWLUQXBR-NVJOKUIPSA-N	576.216	6.448	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408876319	OOFIXHRWAXSMMM-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408880754	IPOKFXFEAZNXHR-KGENOOAVSA-N	541.401	6.684	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1	408885569	CBOSZVPOVGKKIC-MZJWZYIUSA-N	517.807	5.609	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408887175	OSGSBJVZWBSPCY-XDHOZWIPSA-N	572.371	6.284	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1OCc1ccc(Cl)cc1	408890511	UXKRNFZXANHTPF-LDADJPATSA-N	544.776	6.078	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408896137	PFUFABJNEGUUKU-CPNJWEJPSA-N	655.426	5.675	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(I)cc1	408905338	XLZWNGMRDUDGBT-QDTIIGTASA-N	711.250	6.292	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(OC)c1	408924538	PBRBZAXYXCJIEW-GGMOOUJYSA-N	720.404	6.064	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1cccc(I)c1	408924909	PKPQNJXLOBOKCC-RCCKNPSSSA-N	530.365	6.569	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2cccc(C)c2)cc1Br	408939648	BCGIRSLEDKDOKJ-PMERELPUSA-N	681.609	5.230	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408944100	IIHZKGOKOZICBE-LJAQVGFWSA-N	657.576	5.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1cccc2ccccc12	408946411	MWBFGHFVVFFFAM-WJOKGBTCSA-N	722.061	6.720	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408953098	WVCBPUFTOIUBTE-HHHXNRCGSA-N	855.449	5.268	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c(OC)c1	408958605	ZLDAJMJRLCWFPB-PMJAWKLHSA-N	846.300	6.668	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)cc1	408996526	PVLDURVNQDWSTD-QNGOZBTKSA-N	508.359	5.978	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409009029	BFSFJBIFZHYZBN-PNQUVVCRSA-N	741.174	6.661	50	40	KKGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cc2cc(Br)cc(I)c2o1	409012307	QGLMNOCRGODJNH-LIMNOBDPSA-N	537.073	5.583	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc(I)cc2OC)cc1	409031227	JJERVPOZFRGCNV-ZSNJKBEMSA-N	685.518	7.035	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409036167	ACWRGEVPRCEANF-UHBFCERESA-N	562.420	5.379	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409043839	FOJAUGRMXKNHFF-KVAAJVFYSA-N	649.770	8.423	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409047182	NLJSMDDLMRBKQX-GZTJUZNOSA-N	540.801	5.674	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc([N+](=O)[O-])ccc1O	409050325	UNLGTJVFFCSCHI-JQAMDZJQSA-N	712.065	6.159	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	409057393	PEJKCEWDBSZRGI-IPBVOBEMSA-N	579.720	6.295	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1	409061422	ZRJZJIOWTPTHCX-XODNFHPESA-N	599.334	5.414	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OS(=O)(=O)c1ccccc1	409072862	DZFIRCPQSLEUFD-LFIBNONCSA-N	557.369	5.008	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)Cc2ccc(Cl)cc2Cl)cc1	409117162	WQMCZKSQXINTMP-KCSSXMTESA-N	582.509	6.435	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(OC)c2)cc1	409153139	KVPMSXOIJUQWGT-WCMJOSRZSA-N	587.460	5.287	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccccc1C#N	409193690	LGOOPILZWYHPLO-JAIQZWGSSA-N	541.389	5.106	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(C)=O	409219529	RNWRTRCPYWIFHR-UHFFFAOYSA-N	675.448	5.527	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409226596	VFAWUCCEWOPKSR-LPYMAVHISA-N	518.013	6.227	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cccc(C(F)(F)F)c2)cc1	409226647	VVSHIBFJHQNEHA-AEUUOICLSA-N	579.962	6.523	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)n1	409239245	OZHODFYCTDPHKW-CCVNUDIWSA-N	582.467	5.673	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2I)c1	409248295	PICGIKZBKPWIQW-JVMBGAFUSA-N	522.386	5.963	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409256185	OELNFGWJXPZTBS-RQZCQDPDSA-N	617.827	5.530	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)ccc4OCC(=O)Nc4cccc(C)c4C)cc3)cs2)cc1	409260027	JLTUNFBONONNMO-VHFSBPNMSA-N	668.617	8.023	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409260070	KGIFTHXWRVVCPK-GRSHGNNSSA-N	568.855	6.291	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1	409262049	CGLOMIBQZGRXDA-GLYGWYKASA-N	512.393	5.084	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)cc1C	409263479	MXTDQMWJCRPAKQ-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409265631	UHAGGOPVTCXHTF-BKUYFWCQSA-N	547.995	5.397	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409266005	JBBDHMWCFOKKLM-UDWIEESQSA-N	629.882	6.523	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(F)c2)ccc1OCc1ccccc1	409309242	DILLWISRAUQQOL-OHUYPAJKSA-N	577.450	6.909	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1OC	409316591	YUPNYAHJLLGMTK-UHBFCERESA-N	620.871	6.260	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)NC(=O)C[C@@H]1c1cccc(Br)c1	409316990	NYWKOCCXTLWLKI-CQSZACIVSA-N	544.780	5.832	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)ccc1OC	409325843	BVGJVVPQDCFMEG-NUJZUDFISA-N	574.859	5.600	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409363755	NCYPLJKQUPEWMO-RODHXAHZSA-N	644.128	7.445	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccccc1F	409369285	AMMLIYGXECHNTE-LDADJPATSA-N	527.474	5.806	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)c1ccccc1F	409371229	DCCFEKJLRYTVOQ-NVMNQCDNSA-N	606.176	6.550	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	409391197	HTOAECJMATXYEF-DPNNOFEESA-N	538.445	6.897	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409394599	CPNGOVYAHFEWLX-UHFFFAOYSA-N	676.181	9.194	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)c(-c3ccccc3Cl)c2c1	409395067	JKXQTUJCBMTRSF-UHFFFAOYSA-N	695.795	8.313	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)cc(OC)c1OC	409395522	ORFHBCDZEVOSIK-UHFFFAOYSA-N	609.635	5.861	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409396007	VCMILMXQBUINRE-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409396638	ZOUAZELMXBAVJH-UHFFFAOYSA-N	794.216	9.133	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409399364	ZYFYGTCXXIGAKF-UHFFFAOYSA-N	577.637	6.542	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3cccc(F)c3)o2)cc1	409403238	MFLOIXPMIUFQKC-QMRORBIVSA-N	661.484	7.419	50	40	KKGB	
FC(F)(F)[C@@H](Br)COP(OC[C@@H](Br)C(F)(F)F)OC[C@@H](Br)C(F)(F)F	1083812458	DAGQJRFNRBCFAT-PBXRRBTRSA-N	606.836	6.241	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(C)c2)c(Br)c1	1529546669	GJPSVCPGTSBVFT-DMFIQNIRSA-N	730.479	5.984	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)c(OCC)c1	1529546744	HFGWYCFKFRVOCK-LVVFFRFESA-N	728.609	5.154	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccc(F)cc1	1529548804	ODMFRLZWIIELPU-JKYKOXDNSA-N	781.442	5.657	50	40	KKGB	
Cc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C/c3cccc(Br)c3)n2-c2ccccc2)cc1	2097392	JGEBUGFCACDZSG-MQRLXVCBSA-N	549.498	5.581	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@@H]1c1ccco1	2197718	BQTSYLKNQRLEFY-HHHXNRCGSA-N	511.603	5.803	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)[C@H]2CCCC=C12	2752130	LXKKKJGDAAOZOH-RDPSFJRHSA-N	503.375	5.761	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1	2888337	CCOWGSVXXGLQRJ-YMGIJWJESA-N	508.430	5.736	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2I)c(C)n1-c1cc(Cl)cc(Cl)c1	3254460	DAVQHRLXZAPXKM-LZYBPNLTSA-N	536.200	6.551	50	40	KKGB	
CC[C@@H](C)c1ccc(OCCOc2c(Br)cc(/C=N/NC(=O)Nc3ccccc3)cc2OC)cc1	4207637	AWZITAYTSXXVFM-YPKLGXIKSA-N	540.458	6.585	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3cccc(Cl)c3Cl)Nc3c(Cl)cccc3[C@@H]2[C@@H]1Cl	8426240	PETWMMKMJJBZEY-UZKTUOQHSA-N	540.299	8.594	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(C)cc1	9204719	HYXQEIIRGWJVQL-RWPZCVJISA-N	515.835	6.081	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccc(OC)cc2)=C(C#N)[C@H]1c1ccccc1Cl	33357721	VAMXWPJPVBHBDL-AREMUKBSSA-N	545.060	6.361	50	40	KKGB	
O=P(CCCCCCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	82116504	AXAJOQAJCKYYDF-UHFFFAOYSA-N	542.640	8.135	50	40	KKGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C\c1c(Br)cc(Br)c(O)c1Br	97965302	RFEBTZPJCOVVNS-MPUCSWFWSA-N	555.448	5.171	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12	98008403	YVGQBWPYPOAQIP-UMSFTDKQSA-N	575.043	6.985	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1cccc2ccccc12	100231038	UJZMKWVGOSSGKV-HQROULQYSA-N	568.455	6.308	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100232912	UDHKHIHAHMAFRA-NVMNQCDNSA-N	548.220	7.706	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(C)cc2)cc1	100242936	OWLHTUSUHAJPCO-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
CC(C)Oc1ccc(C(=O)N[C@@H](Cc2ccc(C(=O)CCl)cc2)CN2C(=O)c3ccccc3C2=O)cc1Cl	100467866	SXCFTBTXHZXEIN-NRFANRHFSA-N	553.442	5.186	50	40	KKGB	
C/C(=N/NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1)c1ccc(Br)cc1	101063768	ANLNMVPLZOXSEN-YGPWIVTJSA-N	597.970	6.625	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	101305037	UMBHMAPFDIECEP-AREMUKBSSA-N	544.076	6.417	50	40	KKGB	
CC/C(Cc1ccccc1)=N/NC(=O)[C@H](C)Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1	101535647	NUXJEHLFAMMHMY-CQPUDKCISA-N	624.552	6.090	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	101556265	WPAGYAXENGRYII-LJAQVGFWSA-N	558.103	6.768	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3cccc(C)c3)=C(C)N2)cc1	102808441	JGMSBVZCNADJFX-MHZLTWQESA-N	528.634	5.693	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(C)c3C)=C(C#N)[C@H]2c2ccco2)c1	102808518	CYOXDZBDYKQIPK-NDEPHWFRSA-N	558.660	5.620	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1	104581031	CRVINDXXSFAWKP-DPNNOFEESA-N	576.436	6.628	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccc(Cl)c(Cl)c1	104954091	VDPFXFHXSIYQDX-MHWRWJLKSA-N	522.215	7.433	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cc(Br)cc(Br)c1O	111492404	GNSVPZKJOORZDL-LSFURLLWSA-N	536.205	5.302	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	112254552	ZHJOMTHASLFFAW-RWPZCVJISA-N	533.382	5.901	50	40	KKGB	
CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341639	MJYBJBLXWGYJOO-CQSZACIVSA-N	642.322	10.230	50	40	KKGB	
Cc1ccc(S(=O)(=O)c2nc(SSc3nc(S(=O)(=O)c4ccc(C)cc4)c(-c4ccccc4)[nH]3)[nH]c2-c2ccccc2)cc1	150420813	WTXDCRRBCYAKKQ-UHFFFAOYSA-N	658.852	7.549	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	150433644	YTNUOVJYIDNKJX-DPNNOFEESA-N	645.634	6.867	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C#N)cc3)c(OCC)c2)cc1	216066728	GWOPNQBVYVUMIM-OCSSWDANSA-N	536.426	5.851	50	40	KKGB	
C[Si](C)(O[Si](C)(C)c1ccc(C(=O)Oc2ccccc2)cc1)c1ccc(C(=O)Oc2ccccc2)cc1	253577317	WXRAZUDXUYNGCF-UHFFFAOYSA-N	526.737	5.666	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1cccc(F)c1	408540600	AGNATDFTYGESHN-OCKHKDLRSA-N	529.305	5.780	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)[nH]c2cc1C	408544617	VYAGKGHWXLXPRM-REZTVBANSA-N	606.145	8.655	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408551875	GRVDBJHUISSALF-LPYMAVHISA-N	592.548	8.057	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc2ccccc2c1	408567402	DMYGGMQUWXHXAW-UUYOSTAYSA-N	589.408	7.502	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408570489	VWDATKJLAXXXQS-FJEPWZHXSA-N	577.555	6.979	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408570502	WAUCTAZPYQDHNY-MFOYZWKCSA-N	535.373	5.863	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	408581789	ZIUZYYJKKMAEDT-VIZOYTHASA-N	572.511	8.815	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Cl)cc1	408640649	BHUZRCPQWKCFHW-VJQWSGFBSA-N	629.132	5.011	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408641381	KETHRKVJYPXUDW-BJESRGMDSA-N	771.673	7.028	50	40	KKGB	
CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)s1	408732131	SLUJJXSYVBGCGL-LGJNPRDNSA-N	520.442	5.245	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408744003	DAYQQQKPYWHDEP-ZDLGFXPLSA-N	680.236	5.727	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccccc1Br	408751511	RLKXYAJDGQWGPA-OCSSWDANSA-N	532.507	7.054	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)C(=O)NC2=S)cc1	408754609	KYSRWHYTNGDNFN-FVEOGNERSA-N	597.700	5.899	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)c1	408769442	VBMXLGRBMLQPHJ-MWLSYYOVSA-N	503.690	7.724	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408775284	SANVVHOGUZPXKL-NHFJDJAPSA-N	528.472	5.110	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccccc1Cl	408788057	AMHXAZSSTMUAEY-GZTJUZNOSA-N	549.195	6.723	50	40	KKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408792012	GOZGRCCSIZEHTM-KGENOOAVSA-N	521.411	6.371	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)cc1	408793713	GBBBECJSXIQBSU-UDWIEESQSA-N	569.839	6.412	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408795406	MGJFKVLYTRRCOZ-CXUHLZMHSA-N	607.096	6.804	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)c(C)c1	408795746	MLMBOKBBVKSTSR-ZMOGYAJESA-N	590.315	8.106	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408796466	OWTBHRKZLLOSTG-LZYBPNLTSA-N	503.769	6.486	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408796969	ZQVDXBUXUXMKJN-CAOOACKPSA-N	642.118	7.794	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408807178	GLOSZFYAKLIVRV-YDZHTSKRSA-N	518.997	6.267	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408815336	HJXXMIVZKVFQOK-VYYCAZPPSA-N	538.354	5.845	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccccc1F	408815900	VVDHIAVNEVGVJH-CHHVJCJISA-N	510.179	7.564	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408824235	GKVJJEWJYVVYCF-MFKUBSTISA-N	573.476	8.014	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2cccc(Br)c2)cc1	408825362	AFXWRJDHMHEXIC-XICOUIIWSA-N	642.575	6.835	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408826530	HALAYYUIKLSLPX-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1	408827160	CLSULPXWRXUOJX-UYRXBGFRSA-N	635.356	7.830	50	40	KKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl	408828466	MJASHACVIQRRDZ-XSFVSMFZSA-N	525.830	7.016	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1C	408832659	YKGSFXWEOAIAOB-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408839872	WVKOMEXURGZXKG-WKULSOCRSA-N	614.896	7.140	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408840776	FSPISOZOWZWRCG-RVDKCFQWSA-N	658.327	8.247	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2C)cc1	408862365	IVGPSCQGCGJZST-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Br)ccc3ccccc23)cc1	408871497	ZCGFOEKCBQNXGO-HAVVHWLPSA-N	525.402	6.525	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCC(C)C	408873135	NMTUPCHNEGQPDE-LUOAPIJWSA-N	553.468	5.631	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1	408875020	HPRQUWYRGJNWSO-KOEQRZSOSA-N	541.420	7.304	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1Cc1cccc(F)c1	408875175	GRYICGNSSXAGLR-VCHYOVAHSA-N	513.794	6.777	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1Cc1cccc(F)c1	408878885	DGROYWVOUQMZMN-QGMBQPNBSA-N	513.794	6.695	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cc(Cl)ccc2OC)cc1OC	408879353	FLTHLGGEADJUOL-DPNNOFEESA-N	669.112	5.199	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)o2)c(Br)c1	408881649	LWAKLRRWZOSLRO-XKJRVUDJSA-N	563.399	6.929	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OC(=O)c1ccccc1	408885532	BNDZQCJCOROHMT-LDADJPATSA-N	617.237	6.217	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2Br)cc1	408885978	CESIPCAIUUPTKH-LDADJPATSA-N	545.842	6.033	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408889383	FUZAKWMAUZAYEB-KGENOOAVSA-N	569.477	6.032	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OCc1ccccc1	408892734	CCLKMOAUONGOIY-YBFXNURJSA-N	558.803	6.386	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1cccc(C)c1	408905591	ZPJXRJLJRYGYGJ-MUXKCCDJSA-N	552.381	6.154	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(OC)c1	408958641	ZRHINEZPCSRUFG-PMJAWKLHSA-N	754.849	6.717	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl	408963520	FHVPRUJHYRMPBT-BQSNHMCDSA-N	654.978	6.880	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408965147	GMRDZAKIKOOIMB-XAZZYMPDSA-N	625.385	5.799	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408970644	JOQDURBWABNFKA-BKSCLNOISA-N	694.413	6.852	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408976470	AXYAQHRNJYBJPW-LMLUNKDASA-N	616.696	5.441	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1	408996630	JLQSONPGCJITDF-SEOSEFJPSA-N	523.976	5.975	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409007483	WRJRUJNPPXAWGB-KSEYNZOFSA-N	559.405	6.595	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OC)c1OCc1ccc(Cl)cc1	409019371	RIWFKKYSGPUITG-KYHGBAKBSA-N	515.997	5.733	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409034530	HUGPTXRBMACSFD-DLCNMLRHSA-N	588.864	7.800	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	409039988	DYZJESLMAWDGPR-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1Cl	409051406	LYIQPAXVUNMLMY-WKULSOCRSA-N	507.815	6.907	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	409063796	ACWVVMUXQVMOPG-NTEUORMPSA-N	631.129	6.832	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1	409065683	KIBGSYOVYWWIKR-OQLLNIDSSA-N	507.782	5.960	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)c1	409070979	HRPRFRRVZRZZDL-SFQUDFHCSA-N	531.815	5.724	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C)cc1	409132706	LKSBVPWMTRUSJY-QHCPKHFHSA-N	509.400	5.550	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409136508	UYQIRODHKPKIGD-KPGMTVGESA-N	688.988	6.081	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1	409152846	KDVQNSJIMWEBCO-AMVVHIIESA-N	577.852	5.542	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409222761	CFCDMRGXTSTLGR-LQNQUEJISA-N	542.935	5.484	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)c2)c1	409225562	PRAIYDVZUCDTTI-UHFFFAOYSA-N	665.338	6.764	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5cccc6ccccc56)(c5ccccc54)[C@@H]3C2=O)cc1	409226715	RUPDIZQBZLBEIN-IKJWIKAUSA-N	575.668	6.044	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409251436	PVVUJACTRGCJJF-VULFUBBASA-N	528.359	5.108	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)cc1	409260286	NZMZJSSCFLOLAE-LDADJPATSA-N	599.279	6.173	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409263151	AOSITVWQRNZNMI-FYJGNVAPSA-N	595.437	5.870	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(SC)cc2)CC(=O)N1	409309531	ITSQZQJCUSCKNE-IBGZPJMESA-N	530.513	5.752	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409319425	FYZNFSJMHWJDNT-DBFSUHOCSA-N	629.278	6.357	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409359719	XOYQCOJWIUZCOY-LUOAPIJWSA-N	674.208	5.084	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	409363022	KRUMUAFXHWPCPJ-KKMKTNMSSA-N	507.215	5.897	50	40	KKGB	
CC1(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SCCS1	409365683	RLTAXUCSDPLQQW-BHGWPJFGSA-N	534.328	6.371	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409369363	BMVPPMYWHKIDLI-KKMKTNMSSA-N	645.666	5.690	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cccc(Cl)c2Cl)c(C)c1	409371439	JGVKQHQQJAEMDI-MWLSYYOVSA-N	532.493	5.302	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)N1CCCC1	409373486	UPFYANGOQWFHRA-CXUHLZMHSA-N	524.640	5.973	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1	409374017	XEBSNHNQBBFUFE-MXAYSNPKSA-N	502.752	5.283	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386312	PJIKNBRYZANMRJ-LUOAPIJWSA-N	623.710	7.331	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)cc1	409394503	BFMIJKNSNZIXEU-UHFFFAOYSA-N	517.585	6.443	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(C)cc2c1-c1ccccc1	409394757	FMGQPLMBGSHQIS-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395986	UUUVWVCYSZRAHZ-UHFFFAOYSA-N	763.748	8.744	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Cl)cc4c3-c3ccccc3Cl)cc2OC)c1	409397626	MBFACVHTTPUPPU-UHFFFAOYSA-N	622.892	7.795	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C#N)cccc4c3-c3ccccc3)cc2OC)cc1	409398930	WOXIPLJZVRBTJB-UHFFFAOYSA-N	544.567	5.707	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409399125	XXDVHFSHSSLLKJ-UHFFFAOYSA-N	615.427	6.431	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC#N	409401696	IBOPCRADMUZWTF-MNBJERMJSA-N	512.566	5.331	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1[N+](=O)[O-]	409403423	MSPXAUZQUGFDKB-GYJUCFALSA-N	609.035	5.922	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC(N)=O	409404233	PMKUWSUYGWIPMX-HQDYHJHZSA-N	570.646	5.021	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1O[C@@H](C)C(=O)O	409406906	XYYFMASITDGNIO-GYJUCFALSA-N	671.488	5.885	50	40	KKGB	
O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I	885164167	MMMZMOGPQFYWEH-UHFFFAOYSA-N	957.909	8.328	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667569	NDXGSENJDQJTRX-DEOSSOPVSA-N	533.669	6.274	50	40	KKGB	
COc1c(Br)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1Br	4062598	GZYLOXRDZYMIDC-KIBLKLHPSA-N	549.219	5.120	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccccc1Cl	8812615	VYLUUKDKXKMSHY-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1Br	8861808	YGTIHYNNCWCIDF-MDWZMJQESA-N	506.150	5.020	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OC(=O)c1ccc(Cl)cc1	12590104	ZMPIPMVUTMJQLJ-GZTJUZNOSA-N	507.886	5.117	50	40	KKGB	
COc1ccccc1/C=N/NC(=O)COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1	53334819	LRKNRCHKDUQWJP-HNSNBQBZSA-N	566.455	6.869	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(Br)cc4Cl)cc3)[nH]c2cc1C	97962127	ATQUOTBBWUEPRW-WOJGMQOQSA-N	535.829	6.677	50	40	KKGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)CSCc2ccccc2Br)c1C	100100529	DJUHHNSAFZQYEQ-RPPGKUMJSA-N	549.332	6.311	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)o2)cc1	100211114	GSFZXWNSIOUGSF-FDAWAROLSA-N	580.062	5.431	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	100220365	XTQATQYJAWFNPE-JLPGSUDCSA-N	593.627	6.852	50	40	KKGB	
O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C/c1cccc(Cl)c1	100403512	FWISOQVCIMLQSO-VULFUBBASA-N	526.847	5.593	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)ccc1O	100853813	WFUAJPPOTCUEHL-WKIKZPBSSA-N	528.421	5.198	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	100935024	PLLIVQAXCYZIEI-YUMHPJSZSA-N	545.620	7.940	50	40	KKGB	
CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1Cl	101371279	OOJMPVFVYRZEBS-OAQYLSRUSA-N	533.770	6.622	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1cccc(Cl)c1	103754240	NRYBNFMYGRCAHY-IPPBACCNSA-N	559.028	6.258	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	103902848	OPUKVKZJOQJGGH-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1Br	104401910	SKPDEVXBOSPZEO-WYMPLXKRSA-N	533.176	5.463	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)Cc2ccccc2)cc1OC	105528947	KINRLVHDWXOVSG-UHFFFAOYSA-N	543.730	5.672	50	40	KKGB	
C[n+]1c(/C=C\c2ccc(/C=N\NC(=O)c3ccc(C(=O)N/N=C\c4ccc(/C=C\c5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21	150423030	MBLBEBVYTSCMFS-USYZDKPBSA-P	684.804	5.710	50	40	KKGB	
COc1cc([C@@H](NCCCN2CCN(CCCN[C@H](c3cc(OC)c(OC)c(OC)c3)P(=O)(c3ccccc3)c3ccccc3)CC2)P(=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC	169809261	CSTXFNQWMAWLCX-PJYGOTMFSA-N	961.090	8.041	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	408535464	YKYRBWUKXDIMLU-OCSSWDANSA-N	533.422	6.109	50	40	KKGB	
CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408538478	NNVRFEBNSWKANA-MZFJOGFUSA-N	591.575	8.348	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408550653	GAPHBXCFTVQHPM-NCAUGAEKSA-N	645.091	6.208	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408552028	NMWJTANFYQXINS-ZMGVVAQMSA-N	576.908	7.170	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1OC	408582483	OJSLWEHYBTWATK-UDWIEESQSA-N	507.384	5.856	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408642809	NWYGHVHXMDIYOI-LWSSLDFYSA-N	787.310	6.232	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1	408644342	QZORTAHWIVUIBF-BDXSIMOUSA-N	635.111	5.295	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl	408683080	HIQDFORVMMSUOI-BBCKRIEKSA-N	589.781	5.124	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408743556	GQHVGXOALGIDCT-HZHRSRAPSA-N	557.444	7.134	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(OC)c2)cc1	408744335	KNALEQWPEWMIMO-ZHZULCJRSA-N	554.384	5.823	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1	408745797	PECKGYKRNQKDBQ-ODLFYWEKSA-N	507.930	5.780	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)ccc1I	408748192	ZUBKQANMVCRNIM-LQKURTRISA-N	536.369	5.796	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(I)cc1	408753032	GYRULSVCGFUBNP-YVLHZVERSA-N	638.097	6.941	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc4ccccc4c3)cc2Br)cc1	408788642	FAOIROCSBGOTFE-WGOQTCKBSA-N	599.481	7.302	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(I)c2)cc1	408789107	OACLAAVEZIYCSZ-DEDYPNTBSA-N	526.349	6.117	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2I)cc1	408790829	ZFGJOMXRLWEOOB-RGVLZGJSSA-N	587.255	6.795	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408793278	DSARRWHGVMSCJO-CIAFOILYSA-N	552.255	8.034	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1cccc(C)c1	408794049	HPPLYWMEAYWFBH-UDWIEESQSA-N	572.830	6.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1F	408796518	PFADVZKQBBGGCU-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1I	408819850	ULMIJRPTYNJXQI-JYRVWZFOSA-N	527.131	5.303	50	40	KKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408822993	BZJNNKSAKDGXSF-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408825200	HVUWIHUDDNTNEO-WSDLNYQXSA-N	719.790	8.964	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408830505	SCFKQSVAYMQJAD-ZCTHSVRISA-N	592.515	5.682	50	40	KKGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)c1	408836640	TWWQZUAZENREOL-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408839722	VTNUGAHREJKPLB-AMVVHIIESA-N	656.502	5.791	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408840164	YCQBJRGMQKMRTF-QQMJPZKZSA-N	736.258	9.513	50	40	KKGB	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408844231	NAPCJDUTSCFHTI-UHFFFAOYSA-N	585.450	6.658	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408844669	VTLZXHSLNKNWSY-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408849339	ZRUDTFCPRIULTG-IRWBXMRWSA-N	812.393	8.540	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408849500	WFEJDCQVTAIBGX-FXMZOFOKSA-N	735.541	7.401	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408855462	NGWUXDVRJXJPPB-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408863246	QNCBGTBDCAUATR-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccccc1C(=O)O	408880966	JPTIAYFFVYVWPM-CXUHLZMHSA-N	684.655	6.372	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1OCc1cccc2ccccc12	408883242	UJTJOIYXGHDNLI-PPOKSSTKSA-N	516.597	5.814	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(OCC)c1OCc1ccc(Cl)cc1	408884435	ZESHQKOTNKTCAS-KULFSUQXSA-N	629.104	7.958	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc2ccccc12	408886275	JKZOLTPXDXJDRF-UDWIEESQSA-N	507.804	7.925	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc(C(C)(C)C)c1O	408887684	SKISULFNAKEDLP-XJECJHNESA-N	589.991	8.609	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1	408892612	DACFGWTWLIEHHC-MZJWZYIUSA-N	556.507	6.279	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)ccc1Br	408904072	DGKPYZGUESOUFU-ZRGSRPPYSA-N	608.230	5.795	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)ccc1Br	408904905	QGBMJRFKSBXRKJ-GXHLCREISA-N	505.992	5.144	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408918889	QFPXBZIVQLCNNC-ZNIUGAHFSA-N	530.419	5.611	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OCc1ccc(F)cc1	408922552	FEMVAOGAILSTFU-MWBNBJEGSA-N	660.568	7.401	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1	408923788	KAULVBUIUIALNZ-HMMYKYKNSA-N	640.353	7.295	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408949223	FCFKMSGZALWACP-ILBQVMEMSA-N	893.300	6.510	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c(OC)c1	408950922	HVMZBVNZFZAHEM-KMGQVXLYSA-N	667.675	5.056	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C#N)cc3)c(Br)c2)c(OC)c1	408953773	MPJXKXWWRNIEKF-DLVDTJDKSA-N	755.420	5.391	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c(OC)c1	408955861	PLLIYPXZHKITPG-WEYKRHLWSA-N	622.678	5.148	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(OC)c3o2)ccc1OCc1ccc(C(=O)O)cc1	408965097	GMKOBRUPVFOQTL-XODNFHPESA-N	553.365	5.254	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409019734	KIKXBQRMOBSZST-GUZKPPDGSA-N	668.662	6.378	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCCCCCCC1	409028202	IWNSXAOHSSOSJZ-UHFFFAOYSA-N	504.096	6.312	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	409037317	MXSYHBUDRQMUGS-AHSJSASQSA-N	581.459	5.542	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(I)c1OCc1cccc2ccccc12	409040681	HNHPDSWFYIWCMY-KPGMTVGESA-N	705.334	6.589	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409042109	BJJJRMIYTBVVNJ-ATZGPIRCSA-N	601.501	7.798	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)Cc2c(Cl)cccc2Cl)cc1	409053720	HHXQHSOTOPRSFY-VVEOGCPPSA-N	558.409	5.662	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409060409	ZQCFCQBUTGAXDE-CIAFOILYSA-N	564.233	7.916	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409064735	DYZVLOYHAQHPKG-LDADJPATSA-N	575.868	6.123	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cc(Br)c(O)c(Br)c1	409090544	RCKPXFCYUMITAJ-BHGWPJFGSA-N	540.664	6.486	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)cc2)cc1	409112124	BAIZWEUQVPBFAG-TWKHWXDSSA-N	513.619	5.163	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc5ccccc5c4)c(OCC)c3)cc2c1	409187120	MHFARCAYKKIFKZ-OHUYPAJKSA-N	587.470	7.489	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	409200960	KSTMGELVQDCAAL-WCMJOSRZSA-N	522.045	6.708	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCCOc1ccc(Cl)cc1	409205142	MOSLSYXSOMQGHD-FYJGNVAPSA-N	520.969	5.149	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccccc2Cl)c1	409218346	IEYDXRXUSWCAHM-UHFFFAOYSA-N	655.730	7.100	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1ccccc1O	409218454	FHHILTXDJHEWMC-WVLDPRMZSA-N	592.449	5.121	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1	409225095	OTMRVIGDMLBDIH-UHFFFAOYSA-N	546.410	6.537	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409226074	RWDNXGMMJQLEQK-CIXMRZNASA-N	612.038	6.102	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)NCCCc1ccccc1	409231711	LOYDGUCZFJNMDW-HMAPJEAMSA-N	520.383	5.592	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409246048	DDCGXXISFBRUKN-GRSHGNNSSA-N	526.312	6.464	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409257817	QKLZSYDLTYIVCB-KMUKQRDJSA-N	626.138	7.387	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1C	409257845	QPOCNJQMXCFPQU-VXLYETTFSA-N	585.252	6.818	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br)Nc1ccccc1Cl	409261099	BCSIRKKMZHPCHY-QNVXDBMFSA-N	695.426	8.404	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	409305950	XUBXSXCLXFCJFA-ACXHZZMFSA-N	602.913	6.380	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409306214	ZBUHGPMEMZWERV-NHCUHLMSSA-N	646.869	5.630	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OCC	409312584	MKEXNDUBLBEAEY-LQNQUEJISA-N	631.467	5.269	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1cccc(F)c1	409312997	AJHIDCNUJOKFPQ-GXBUFBABSA-N	542.607	6.545	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OCC	409326999	PTLKDOYBLUQJOT-ZMGVVAQMSA-N	622.343	7.461	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC)cc1OC	409334490	MEECHGKLAFOIKB-FMCGGJTJSA-N	514.214	5.172	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1Cl	409343171	HRKKJUKRPZXNTP-VFLNYLIXSA-N	551.268	6.296	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2OCc2ccccc2)C2CCCCC2)c(C)c1	409367972	KQHKQFSVHGTDEI-RGXNXFOYSA-N	547.721	5.665	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(F)cc1	409373204	ONFIIEFCCUPJPF-WCMJOSRZSA-N	551.412	6.492	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409394485	AZHIRURRGKNUFA-UHFFFAOYSA-N	735.354	9.515	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)[nH]c12	409394839	GNJGGLMDIIJITP-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccccc1Cl	409395151	KKYJMSXIKPEPOJ-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397028	FGDVQWANQYYKPC-UHFFFAOYSA-N	611.626	6.382	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)cccc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409398804	VXYNYMDSJPDKBZ-UHFFFAOYSA-N	642.064	6.423	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccccc1C#N	409399997	MUMWREUYLUTRQT-QJOVZPHJSA-N	574.637	6.489	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409403476	NCUMURKYGJJFLL-OVIUPEKJSA-N	652.542	6.522	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1O[C@H](C)C(=O)O	409405034	RVBBTWYPSIPJHR-QUFIRZMCSA-N	571.630	5.619	50	40	KKGB	
O=C(CCCC(=O)N/N=C/c1c2ccccc2cc2ccccc12)N/N=C/c1c2ccccc2cc2ccccc12	1691858	JKFQBDDVDXOSDR-BVDGQYGUSA-N	536.635	7.070	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cccc(Cl)c1Cl	1780675	RJXCYSKNCBIXIC-GZIVZEMBSA-N	503.889	6.033	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)NC(C)=C1C(=O)Nc1ccccc1	1874714	RAWIOOYFABOQSL-LJAQVGFWSA-N	573.118	6.754	50	40	KKGB	
N#C/C(=C\Nc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2cc3ccccc3oc2=O)cs1	1900331	OXWBIDZHYZBFOB-FZNBYNMYSA-N	503.889	6.399	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1	2335573	ZUOXTRHTZZJBSL-AEPTXUNZSA-N	512.393	6.197	50	40	KKGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	3113269	XXZFLDWPMCQRER-LGJNPRDNSA-N	548.231	5.328	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1I	3255414	SHFCFZSLUIMEKB-GZTJUZNOSA-N	593.646	6.832	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1F)N2	4063789	PREJUUCGALKQSW-UXXDJHJKSA-N	512.006	6.731	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1	4196259	YQGVJUQJMCNPLH-RQZCQDPDSA-N	562.247	6.898	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1C	13189405	SAYSOTMCBWNMNI-RUZDIDTESA-N	506.071	6.394	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)c1	13595716	CFEUXTUGQDRAEK-YDYXIROLSA-N	518.436	5.823	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C\c1ccc(OCc2ccccc2)cc1	33089336	CJJWGSVQSSQBDR-DXJNIWACSA-N	506.631	5.906	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1	59920936	RMJBTZRAVRGJCL-XODNFHPESA-N	507.306	5.819	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(Cl)c([N+](=O)[O-])c3)n2-c2ccc(C)cc2)cc1	97939474	XFNCGRMEHBUHCM-VYYCAZPPSA-N	537.001	5.055	50	40	KKGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cccc(I)c1	97962968	JHFCROGPIFYMFS-XSFVSMFZSA-N	544.348	6.209	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)s1	97965002	JEJXUBVXTIQVOW-VTNSRFBWSA-N	570.074	6.177	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2	98001674	NLQWWTZGHYPHGN-HIUVJMHLSA-N	645.087	5.995	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccc(Cl)cc1Cl	100120195	LJFABHJUKTWBQQ-ATZGPIRCSA-N	531.487	6.723	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1cccc(Cl)c1Cl	100120556	UWMBRWMATLCVPP-IBBHUPRXSA-N	542.919	8.111	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(Cl)cc2C)cc1	100122603	JMTXOQULEQFDLH-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\CC)c3ccc(O)cc3)nnc2-c2ccc(Cl)cc2)cc1	100853366	XPGFBULAFGKEIZ-RMLRFSFXSA-N	536.057	5.715	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)c(Cl)c1	100858324	HXCBPQZEVOFCFJ-NVJOKUIPSA-N	551.286	6.790	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1	102216658	LEPVPJUDSXRKGY-DEOSSOPVSA-N	606.548	7.024	50	40	KKGB	
Clc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(NNc3ccccc3)o2)cc1	102618965	IJQWETUVFQRARP-UHFFFAOYSA-N	547.018	7.053	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1F	102719214	KTNVQTXINOLJTQ-HHHXNRCGSA-N	563.054	6.194	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2OC)=C(C)N1	102808854	NYPOHCOLDGBYJV-HHHXNRCGSA-N	579.078	5.965	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	103896981	QYEKEZGBHPNINQ-XICOUIIWSA-N	614.123	6.426	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(C)cc3C)N=C3CCCC(O)=C32)ccc1O	104118541	JSFYZOGVDRAUSG-VWLOTQADSA-N	503.624	5.967	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	104227813	KMFDKOIGNCPVFL-SXGWCWSVSA-N	609.645	6.537	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccccc1Br)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104699105	FJHKAPNNVWICKW-YEISZACKSA-N	580.979	7.703	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	105509740	QIWLNGLHFZWKIN-KVSWJAHQSA-N	556.671	6.690	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Cc1sc(C(=O)OCC)c(C)c1C(=O)OCC	105780070	ZJVLUADJLITWNT-GZTJUZNOSA-N	546.439	5.456	50	40	KKGB	
ClCCOCCn1c2ccccc2c2c1c1c3ccccc3n(CCOCCCl)c1c1c3ccccc3n(CCOCCCl)c21	150368715	VGAYUCCJTSVXAA-UHFFFAOYSA-N	665.061	8.777	50	40	KKGB	
CC[C@@H](c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1)[C@@H](CC)c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1	150385268	GTWGWCYJKHSRHO-ZAQUEYBZSA-N	786.668	10.238	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795485	OSRUQXWGNODIGK-WOJBJXKFSA-N	770.356	12.011	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	169795498	LDDGSXXKBJPSPY-VXKWHMMOSA-N	798.410	12.791	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C(=O)[C@@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C	253617318	RBYRHDBWVSOLNG-NFLVCYEESA-N	597.587	5.650	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1Br	408538586	ACJSLJSVKGIDMK-YUMHPJSZSA-N	532.276	7.088	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2	408603382	GGJWKSQTJACDAF-UDWIEESQSA-N	510.550	5.041	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	408605968	ZNRSJQFRNLSZAS-FDVSRXAVSA-N	543.992	7.139	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2cccc(Br)c2)cc1-c1cccc2ccccc12	408724231	IKIHKIMTTOUZDJ-UXHLAJHPSA-N	509.407	6.527	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)OCc1ccccc1	408738913	WZAJYQYBEBWNIP-YBGYJIPTSA-N	798.419	6.944	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1cccc2ccccc12	408743261	FKGMFRFKGDKRIL-BKUYFWCQSA-N	639.287	7.340	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1	408746635	UNCYYBWDXHKKRC-YVLHZVERSA-N	560.217	6.484	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1I	408747828	UIISUKSZZWTNRT-WYMPLXKRSA-N	507.759	5.125	50	40	KKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1cccc(Br)c1	408758167	HCEWUKLRWDPMDJ-JCMHNJIXSA-N	506.403	7.151	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(Br)c1OCc1cccc2ccccc12	408763338	SDNJGBNHVNDUDF-OEAKJJBVSA-N	557.444	7.134	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408764452	WWNCOOWHQVJFOI-LPYMAVHISA-N	577.456	6.233	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)c1	408777140	VUMSWCHVWPTQEO-AJBULDERSA-N	523.614	5.347	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(Br)cc1	408791746	BWEQIMFPKXWPRH-VXLYETTFSA-N	604.726	7.697	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Br)cc1	408793550	FIFAAROLXUEXSW-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795276	LITYWSBWHCWRCR-OEAKJJBVSA-N	757.322	7.508	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c1	408795672	VVGKVBYQNMYPNF-VXLYETTFSA-N	668.700	7.291	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccccc1	408795688	MQXGXIHHUYDKHX-FYJGNVAPSA-N	535.394	5.759	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)c(C)c1	408797946	UAHXXEOEGANYAQ-UDWIEESQSA-N	634.255	6.637	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Br)cc1	408798071	UOGLQQPGLBUCNA-RQZCQDPDSA-N	672.144	7.884	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(Br)cc1	408798823	XILWLSVJCKMZKA-RQZCQDPDSA-N	580.693	7.933	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1cccc(Cl)c1	408798999	JOOVINGMSCIBOW-KEBDBYFISA-N	525.830	6.853	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408799110	YCGVTZHCVWJWEG-BUVRLJJBSA-N	614.452	7.070	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1c(C)ccc2ccccc12	408803476	PHRHYVQRLZLJDD-HYARGMPZSA-N	531.439	7.978	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408821196	DNXYHMAPBFMUSD-LPYMAVHISA-N	687.215	9.222	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccccc1	408837627	KCUFPCAWMAFBKZ-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408848879	WVQYFGBEXQCQHG-NOPDUFPGSA-N	757.902	10.074	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(F)cc1	408852424	KTHDQSCNQUXECU-RHKOWXKBSA-N	543.642	7.663	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408855800	FIXNUEMIOVCWRI-VTNSRFBWSA-N	580.910	7.252	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408860579	ZCJVSEWFOYXFBT-ALQBTCKLSA-N	671.013	6.734	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)c2C)cc1C	408874309	BBVDAXIKQGVNTB-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2cccc(C(F)(F)F)c2)cc1	408884752	VJBACLLGSHTOPG-VFLNYLIXSA-N	544.382	5.666	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(C)n1-c1ccc(Br)cc1	408924878	PFKWRLSSDLRXIX-OVCLIPMQSA-N	534.197	6.617	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)c(OC)c1	408957598	VFDQOISFNASHAA-UIGQDENISA-N	807.436	5.370	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)c(OC)c1	408957648	VIHTVWUZYYBHDH-QGOGVWFISA-N	700.192	6.055	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408970894	AEUNWSYZIGCQMT-KMVZYDLRSA-N	704.276	8.090	50	40	KKGB	
CCOc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1	408972234	OBDYGKRBENXGKC-NRPRZELWSA-N	528.436	5.037	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc2)cc1	408979971	OZUOIBFZZRREAH-OJANRJRPSA-N	556.471	6.122	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1Cl	408983693	HAQQLOKTNNCFBD-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1ccc(Cl)cc1Cl	409029449	AYVXXWYPLDQEOX-ZLGJVAIHSA-N	611.441	5.868	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409034639	IEXOKTYSCAJWOZ-VULFUBBASA-N	507.413	6.089	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409039286	CGNHXCIZBQHUPM-GZTJUZNOSA-N	544.327	6.031	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cc(-c2ccccc2)nc2ccccc12	409044602	OKEFTJMMCPPGLI-MUFRIFMGSA-N	541.361	6.596	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12)c1ccc(Cl)cc1Cl	409045399	PLVBHUVBFGEDGA-ZCRZUIFRSA-N	645.886	6.522	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cl	409050614	XUCWFEUQEHTLBK-MNDYBZJGSA-N	522.388	5.914	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)cc1	409070087	KNDZHXKYYWDSML-VXLYETTFSA-N	570.237	6.343	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	409072079	AVVBSJAWDBXJLL-LDADJPATSA-N	527.396	5.080	50	40	KKGB	
CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1O	409112269	FPOCUVVCJJSZOW-XODNFHPESA-N	570.882	5.092	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)cc1	409155806	CWACJIQYYXGORG-AABVJFSESA-N	712.463	5.604	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409166736	GHUFZUNLEZOZRN-AMVVHIIESA-N	557.434	5.115	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)N[C@H](C)c4ccccc4)cc3)cc2)S(C)(=O)=O)cc1C	409183245	AAMMXPHMCKLWIS-DVYLBYJKSA-N	612.752	5.290	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	409185149	JWLJHCFYWRORKT-RUMWWMSVSA-N	605.514	5.437	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccc(C)cc1	409185386	LBCAGWRMDMMBIW-BIZUNTBRSA-N	563.123	5.964	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)cc(I)c3OCc3ccccc3C#N)cc2c1	409186380	BFBOAKBAXGKHIJ-CPDSRJINSA-N	691.263	6.255	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1cc(Br)cc(Br)c1O	409187599	SHOQOKYPSQSFMO-LSFURLLWSA-N	530.625	6.079	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409194580	PGTLOTNMLCLDTH-PXNMLYILSA-N	524.242	6.309	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	409208073	APSZLARJUDXAJH-LUOAPIJWSA-N	514.261	7.122	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	409209091	FOBIFDHPWRSRCU-LGJNPRDNSA-N	503.849	6.232	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)c1	409219722	PJVJVFRDAZOACS-MWHJJWBVSA-N	706.347	7.063	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409220398	YSIOPAJOEAFNNS-UHFFFAOYSA-N	630.406	7.256	50	40	KKGB	
O=C(NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Br)cc1	409225342	MZOFNISBMRIRPI-UHFFFAOYSA-N	507.171	5.083	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)NCCCc1ccccc1	409240389	TWRDBJUTQJARFO-QQXSKIMKSA-N	698.342	7.284	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(C(=O)O)c1	409241320	RCTRWHZKQCAQLD-NVMNQCDNSA-N	575.337	6.299	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)ccc1OCc1ccccc1	409313762	QWALPYXWEALDNI-BJUCDSOZSA-N	569.872	7.577	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)ccc1OCc1ccccc1	409318566	WVWFTUFVGUEFCO-HQDYHJHZSA-N	588.060	6.026	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3F)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409326184	HWQQBIITOXHFOW-VQTJNVASSA-N	631.307	5.403	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCc1cccc2ccccc12	409366742	XVMFBCMUBRVNIQ-CAQPMQTCSA-N	545.477	6.890	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc2ccccc12	409372415	XKZYUXOYLLIKQO-UUYOSTAYSA-N	515.363	7.162	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)[nH]c2c1	409373385	INACJJZSLWBFNK-IUXPMGMMSA-N	662.225	6.632	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1cccc2ccccc12	409373625	RMOGVLZJMQEYMS-ALQBTCKLSA-N	539.031	7.397	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	409373971	WPXKGELPIMSCOV-AMVVHIIESA-N	513.808	7.152	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)[nH]c2c1	409374727	XRVYOVJDZITKFM-UCQKPKSFSA-N	527.455	8.229	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409386439	QBPPVYDATFWPLQ-IPBVOBEMSA-N	619.335	6.768	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCc1ccc(Br)cc1	409390583	FMEIDMQJHFYYMG-ZDLGFXPLSA-N	538.829	7.029	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395239	LKAHROVZNCSKTD-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409395615	PUPJFHJBQGGVBO-UHFFFAOYSA-N	764.190	9.124	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)c1	409395730	RBDNPMVKOAZAGQ-UHFFFAOYSA-N	620.862	7.382	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409395797	RWDXLIXPKXQPJP-UHFFFAOYSA-N	755.077	9.957	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398021	QDTFXXVDYJREAU-UHFFFAOYSA-N	593.636	6.161	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccccc4c3-c3ccccc3Cl)cc2OC)c1	409398631	UXWJSHOQLCQXNP-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
C#CCOc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409407434	ZTOWFEFLNPCBNV-MNBJERMJSA-N	527.577	5.059	50	40	KKGB	
N#C/C(=C/Nc1ccc(F)c(Cl)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	2203312	KCFWCYYLYPWOIO-XFXZXTDPSA-N	502.752	6.448	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccc(Br)cc1	6166476	XUTDCQIFZZYJDF-FVVRGLPMSA-N	609.546	5.644	50	40	KKGB	
Cc1ccc2c(c1O)C(=O)c1c(cc(O)c(C(=O)O)c1C)[C@@]2(C)OO[C@]1(C)c2cc(O)c(C(=O)O)c(C)c2C(=O)c2c1ccc(C)c2O	86034876	IEVJARSTOGQGJT-ZPGRZCPFSA-N	654.624	5.403	50	40	KKGB	biogenic
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	97951272	JKLIXBONWIPSCN-RUZDIDTESA-N	538.113	6.676	50	40	KKGB	
C/C(=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	97965651	FUTYCDWVGRIJQP-APTWKGOFSA-N	532.427	6.022	50	40	KKGB	
N#C/C(=C\c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1	97965813	NHVDWCLIFBJGHI-WUXMJOGZSA-N	515.702	7.383	50	40	KKGB	
COc1cc(CCC(=O)OCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)cc(OC)c1OC	97981054	VVECPDYAYFWXAS-VTNSRFBWSA-N	544.526	5.274	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C)ccc3C)NC(C)=C2C(=O)Nc2ccccc2)cc1	97999445	XDPQWJGEHSSULW-PMERELPUSA-N	552.700	6.409	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	100197018	IDFZWVWVMLJNHT-BUVRLJJBSA-N	557.444	7.134	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	100351225	LNJLQPPJBNQJJF-HPNXWYHWSA-N	610.711	6.401	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)N1CCCCCC1	100398232	NYXROZGIRNGJBB-ACXHZZMFSA-N	625.962	5.484	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl	100859699	NWGXIJLSFZNKGF-KKMKTNMSSA-N	517.829	5.532	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1	100989475	NVPXHUUZKUUNFB-WTALZMIHSA-N	573.299	6.821	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CN5CCc6ccccc6C5)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709480	WXGWKPIHORNDFK-XYOIVULYSA-N	612.774	7.243	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1	104766571	QLICVDYMSLYRPZ-ZCTHSVRISA-N	556.416	5.613	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	109620918	LSSKLGJPVWNKKK-WQRHYEAKSA-N	538.354	5.586	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br	112258130	MARRTWWYPNWYQY-WUXMJOGZSA-N	521.234	5.578	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1nn(Cc2ccc(Br)cc2)cc1Br	150618489	FBSZSZITGJNQPU-VFLNYLIXSA-N	647.165	6.562	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@]4(Br)C[C@@H](OC(=O)C[C@H](C)CC)CC[C@]4(C)[C@H]3CC[C@]12C	217205536	VKBCMZKYIQGGGT-APVHOGAKSA-N	644.617	10.635	50	40	KKGB	biogenic
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O[Si](C)(C)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	263596209	FKAPETDRFJWMCD-OWJJLWQMSA-N	633.002	9.522	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408526791	GDMMENRNTWPOCF-BRJLIKDPSA-N	563.202	5.228	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccccc1Cl	408542937	LTLMPVOWXIYMPK-VXLYETTFSA-N	522.830	7.247	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408549992	AJPKGVGVPUIXQR-QDTIIGTASA-N	520.800	5.366	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1	408551890	NHGUZXOJZZPBJX-NVJOKUIPSA-N	525.219	6.011	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553299	NQCSHUGAVUMWGW-VWDPFFEDSA-N	619.221	6.565	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553433	WHFHYJILYQPAHM-WOJGMQOQSA-N	501.797	7.127	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554593	RYXLEGMLRQARRD-MFOYZWKCSA-N	544.822	6.527	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Br)c1OCc1c(Cl)cccc1Cl	408611672	RNRGLMHNGNFAOR-RCMPGLAHSA-N	545.261	5.098	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408641529	COGWKLUSDURXKG-QVWZKCLOSA-N	566.268	5.692	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408660193	WKTOMXHUKZXTGK-RYRALXFLSA-N	657.186	5.790	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1	408660363	PVUYQGGLXDGOGJ-LTFHSFQUSA-N	679.383	7.475	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408676524	KAMHPWFVNKRJST-KBVAKVRCSA-N	505.449	6.669	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(I)cc1	408711633	CGNLYSMHTLDETR-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)c(Cl)c1	408741219	OMXJTEUJWAKWTM-UHBFCERESA-N	536.857	6.853	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)cc1	408745190	PYQCRSSNEURAAS-NDENLUEZSA-N	570.281	7.043	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1	408760174	SZHPSEDSSARMHY-VCHYOVAHSA-N	544.776	6.078	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)c1	408794133	RNJCIEIDWTUWGF-SRZZPIQSSA-N	554.282	7.262	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(I)c2)c1	408794922	UDCWUMBVRHOQQB-UDWIEESQSA-N	542.804	6.686	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1	408795548	MPFKGIZVNYOAGP-YDZHTSKRSA-N	531.837	7.689	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1)c1ccccc1	408795791	WGTTVSJFLYPRKM-CQHJRZBDSA-N	504.384	5.251	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408800760	PGGPJGSRSXFVGR-CIAFOILYSA-N	704.733	8.136	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccccc1F	408812328	MSAJMPMGRQGYBM-BOPFTXTBSA-N	577.191	6.317	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	408812650	XBEFIOJVISMZNK-OEAKJJBVSA-N	563.868	8.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1cccc(Cl)c1	408813568	XXYKMMQHJZZQMR-VXLYETTFSA-N	607.275	7.430	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccccc1F	408820142	UEPVNWAQAWGWNC-SXGWCWSVSA-N	503.730	6.505	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1	408851093	IDBNLFRIRWGUAD-BIKKEBSBSA-N	610.674	7.720	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Br)cc1	408882228	NCKPAECJASXUCG-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408883726	UNXIAIIVMCRJGX-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1OCc1c(Cl)cccc1Cl	408885065	ZWQSFYIBSHNTRC-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccc(F)cc1	408888573	XIFNTASDALDSLN-ALQBTCKLSA-N	534.672	6.797	50	40	KKGB	
Cc1cc(NC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)ccc1Br	408903926	BGTMRMNFYGYODM-FMFFXOCNSA-N	594.469	7.946	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(Cl)c1Cl	408923961	IRBYDAISLWFITM-MZJWZYIUSA-N	500.407	5.216	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)c(OC)c1	408957987	WTTZTVSXGHQVGC-WHNQQBDFSA-N	691.568	6.454	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)c(F)c1	408964218	CBAGOEVTYRQJFQ-KKMKTNMSSA-N	533.728	5.298	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1Cl	408988435	QUGFKDGNHKQNBC-NVMNQCDNSA-N	593.248	7.040	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4cccc(Cl)c4C)cc3[N+](=O)[O-])sc2c1	408992166	QRKZPSOGAORHOH-GZTJUZNOSA-N	551.049	7.262	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC(=O)OC	408992868	UUWWSTQIHAMOTR-YVLHZVERSA-N	503.780	5.237	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC	408997724	OFZLXNPZYLDLMX-QNVXDBMFSA-N	701.357	7.017	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409009317	DDGFZKHUTDCCLJ-MWBNBJEGSA-N	679.555	6.255	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCC(=O)Nc1ccccc1	409013838	WGAAPIPFSBGFBV-VVEOGCPPSA-N	696.723	6.633	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409023804	QPKBKXUZOVUTDG-PPDIBHTLSA-N	558.772	6.108	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409040252	GAPLBEYVRDPQHQ-FRKPEAEDSA-N	614.643	8.008	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1	409044427	CUDONXMCNOCJCU-RGVLZGJSSA-N	507.804	7.925	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccc(F)cc1	409050608	XTPBHGMMKACNGN-KVAAJVFYSA-N	678.527	7.649	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCc1ccc(Br)cc1	409071618	HOEXIFGTJSWSJE-FYJGNVAPSA-N	537.841	6.964	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Cl)cc1	409135049	PQUJYSDAQNMDBB-JOCHJYFZSA-N	513.775	5.614	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	409176730	WBVWHZSSFDNVLZ-KQSNKGFRSA-N	606.638	5.644	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C#N	409200824	JVQGONMSGGGJTC-IPPBACCNSA-N	558.885	6.194	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-]	409220319	WSDAMXXUTLSHIE-WMBVQCPHSA-N	568.973	5.883	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccccc1Cl	409223485	FYNOCHQRJCWMKA-KKMKTNMSSA-N	563.905	5.729	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cl	409256523	LTDWPAUHIRKSHS-BCHBDCPOSA-N	600.094	6.300	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2C)cc1	409259410	ZHDLNVFQOUGMQC-XSFVSMFZSA-N	534.410	5.719	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1	409260435	QGPBJJABWQBHPJ-PPDIBHTLSA-N	624.127	6.064	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1	409262893	GCJGNYNCMPZJCF-GXBUFBABSA-N	551.643	6.063	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OC)c(Br)c2)ccc1OCc1ccccc1	409311137	FMUDYYKXVONTFO-VYYCAZPPSA-N	562.258	5.962	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Br	409315495	JOQQZQJVCJNLBF-MWLSYYOVSA-N	586.280	5.965	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409315513	VXFADYIVCURJQS-LJUMEUDFSA-N	629.916	6.222	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1OC	409324048	QXUSRRZFJRWSBM-NTFVMDSBSA-N	511.416	5.898	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC	409326000	FKWKPFWDMZFBTM-RHANQZHGSA-N	537.410	5.211	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(I)c1OCc1ccccc1Cl	409362205	IFUJJEXPZNTTPV-FDVSRXAVSA-N	608.860	5.632	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409364171	NGMANDVICDYFRP-CPDSRJINSA-N	596.305	6.444	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3cccc(C(F)(F)F)c3)[C@H](OC(=O)c3cccc(C(F)(F)F)c3)C(=O)O)cc2)c1	409370285	ODFLTXNRFNFLDD-SXOMAYOGSA-N	745.585	5.582	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409371680	JWXBJZYCCNPYOM-SOFYXZRVSA-N	583.063	8.070	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409371942	CDVPUJVYTZZHEB-ZRGSRPPYSA-N	537.197	5.936	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OCc1ccc(Br)cc1	409372720	HPQKUEFBNJUYEX-NTFVMDSBSA-N	538.398	5.366	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409393199	VNRNICLGMLQSFN-JJKQSNDFSA-N	636.171	7.813	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)c1	409394649	DFTKVSKYFYNDEA-UHFFFAOYSA-N	756.245	8.123	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395379	MXSJFRATZAUKSL-UHFFFAOYSA-N	728.905	8.187	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)cc1	409396071	VYTPXARBBLBZSS-UHFFFAOYSA-N	645.351	7.960	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccccc1C#N	409400053	BDQWGDFZFPKAFU-WBIBEUCMSA-N	619.634	6.398	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)Nc1ccccc1C	409402274	JPBBXEALVGCIMQ-KOKCXWAISA-N	685.575	7.127	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccc(C)cc1	409405389	TWXFTIOEVYCCAU-UHFFFAOYSA-N	606.679	6.365	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)o2)cc1	409407199	ZBBBANBLQLQMRJ-HQDYHJHZSA-N	643.494	7.280	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	1529547542	LOSPEKQQGYPWGL-PDQWDMBESA-N	736.472	6.229	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCC(=O)Nc1ccc(OC)cc1	873417	RFKNKINDJJEEEV-LJAQVGFWSA-N	521.573	5.483	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3)nnc2-c2ccc(Cl)cc2)cc1	2589945	AYYZSUPSSQABFN-MUFRIFMGSA-N	552.056	5.246	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/C(Cl)=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1	2591794	SUNLLBUBWYDHJK-BUANEPLZSA-N	522.461	6.370	50	40	KKGB	
O=C([C@@H](Br)[C@H](Br)c1ccccc1)N(c1ccccc1)c1ccc2ccccc2c1	3014145	LHOGLIXASJCYPP-RPWUZVMVSA-N	509.241	7.404	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl	8812124	UDDBUJIYWGCGKE-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
CCc1ccc(/C=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	32577025	FCLIBHNANQEGOH-MWLSYYOVSA-N	516.692	5.439	50	40	KKGB	
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CBr	38876701	VOCHLJXFJTUNGD-ONEGZZNKSA-N	503.759	5.931	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl	59296979	BWYWFIFDXYGYSF-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1cccc(I)c1	59856722	YRPSNJFZENEGFR-CVKSISIWSA-N	602.281	5.334	50	40	KKGB	
c1ccc([P+](Cc2ccc(/N=N/c3ccc(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)(c2ccccc2)c2ccccc2)cc1	97981024	UHVBYKZVVYSYLJ-WYYOLBRMSA-N	732.848	11.090	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)cc1	100100286	IPSMUWFJNYIKFS-KBVAKVRCSA-N	546.534	7.362	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccc(Cl)cc3)=C(C)N2)cc1	100101443	JVJQOBZIHWNMSI-MUUNZHRXSA-N	543.092	6.609	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)ccc1OCc1ccccc1	100858479	YGMFWADNGXKVQW-KBVAKVRCSA-N	586.764	6.814	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccccc1Cl	101304959	PPBZNMCZHGKRMT-VWLOTQADSA-N	536.097	5.918	50	40	KKGB	
CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)cc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl	101572098	PMCJOBXWWXJOKR-QFIPXVFZSA-N	536.868	6.278	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)Oc1c([C@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	104161520	XPISAGAWGZFJIV-HSZRJFAPSA-N	506.684	9.183	50	40	KKGB	
CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341292	RCGBDDDVFSMWHI-SSDOTTSWSA-N	694.154	9.405	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	150370545	DRIFNYDGWKOLTJ-XJECJHNESA-N	636.479	6.937	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795490	ZZRMWDWWVLJNFF-BGYRXZFFSA-N	970.384	14.552	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	216063036	ACFCVPQSHNFUEI-JFLMPSFJSA-N	589.386	5.340	50	40	KKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2C3=CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C	253514208	PODSSBXKTWSWQL-XIYOLHOQSA-N	510.923	10.360	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539470	WLIRFEAYHLIXIU-YUMHPJSZSA-N	627.535	7.869	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(OCC)c2)cc1	408540499	SNPFLCBUZJMQAV-LRIZEKIPSA-N	615.170	8.402	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1	408542340	KVXDWHWWMZZXRL-JJFYIABZSA-N	517.368	6.969	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408544456	WDSZNKNDWLAZRQ-IUXPMGMMSA-N	590.655	6.688	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552995	UCDYLHSTGHFKJE-VKVKMMGJSA-N	709.393	7.210	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccccc1C#N	408570931	ZPBDTTSXAREJDV-WCMJOSRZSA-N	612.571	6.306	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	408581157	GWDGGIGOZDHYGP-CXUHLZMHSA-N	504.848	7.141	50	40	KKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408691571	FKSUAQVTXBJGSX-GRSHGNNSSA-N	519.355	5.902	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408711905	QBWXKLLFHNCXEV-FJEPWZHXSA-N	580.306	6.825	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	408712094	ZGEOHDIXCSUYRK-DICXZTSXSA-N	546.259	5.882	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccccc1	408743001	REJFMBSSKDRYPW-YVLHZVERSA-N	624.191	6.160	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1cccc(F)c1	408750843	SIKSVVPKGCKKGJ-KCSSXMTESA-N	518.972	5.453	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCC	408751620	ANQIMJBLZDEDHE-ZROIWOOFSA-N	541.183	5.397	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1	408764103	WBZGLUJPQPNTMA-IPPBACCNSA-N	581.332	5.020	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1cccc(C(F)(F)F)c1	408772857	NPIPYBHTGSZIMM-GRSHGNNSSA-N	549.286	6.651	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408793385	FEZPIITUUYHHOH-MFKUBSTISA-N	585.454	6.912	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1	408795473	MLJFZGJGVMITJO-DEDYPNTBSA-N	523.358	5.890	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br	408795754	MMJIDIITSXCQDG-LFYBBSHMSA-N	577.056	6.006	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1	408795887	MXLFBLUETHFKMR-UDWIEESQSA-N	521.957	6.170	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Br)c1	408798655	WHTWIBKAGVBOCU-YZSQISJMSA-N	553.456	7.461	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OC	408809063	HMSXFMQYSJXGDY-YKQZZPSBSA-N	532.438	6.386	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc(C)c1	408815576	HZNYCFSUCNNDJE-NDENLUEZSA-N	509.375	6.420	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408825453	AOVIYVIJPOVHOG-MWBNBJEGSA-N	685.040	6.961	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408825575	KINPFLPLIHTUIK-JJIBRWJFSA-N	529.423	7.697	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408838955	KRTSBGYJVQPLOV-AABVJFSESA-N	692.979	8.229	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408839679	VIYGTVOHBGURPA-AMVVHIIESA-N	601.240	6.584	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408840160	BPDVMVMVVHWPOD-ALQBTCKLSA-N	607.692	7.512	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc6ccccc6c5)c(I)c4)cc3)cs2)cc1	408840937	DSABJXRVRYWGFH-OEPDXVHDSA-N	773.494	9.725	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408841463	HDJDRBVCMPSJJE-KPGMTVGESA-N	637.556	6.729	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OC	408848233	UWKCEUUIJIPTNZ-CCVNUDIWSA-N	551.466	6.406	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408850550	BTXHSNTXRHIOOA-QDTIIGTASA-N	572.799	6.499	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1	408856470	KAHHVQXTPIIXRC-UCMJSZAQSA-N	507.037	7.278	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3Br)c(OCC)c2)cc1	408868908	QOIBSHSLMLUCMZ-FYJGNVAPSA-N	567.867	6.814	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OS(=O)(=O)c1ccccc1	408893216	DBUVSFKKXLKTEW-SFQUDFHCSA-N	606.292	5.842	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC	408893993	HWLPDXURIJDGHO-OCSSWDANSA-N	545.518	6.406	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OS(=O)(=O)c1ccccc1	408897149	WGCIWHIXPKMTRE-MHWRWJLKSA-N	653.838	5.565	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OCC)c1	408911390	NHYIVJPBTINMKP-ZLZXEHKWSA-N	531.653	5.397	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2)cc1	408923786	JXSVTDLMLBCKMT-FOWTUZBSSA-N	503.363	5.315	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408939881	ITEBQQUMDVFKEX-NUJZUDFISA-N	554.372	5.515	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(C(=O)OCC)cc2)ccc2ccccc12	408943504	HRCCZGSCKKBAIY-UMSFTDKQSA-N	680.783	5.481	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408953239	PIHUNQVJGBDGPB-NHDPSOOVSA-N	622.419	5.534	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1	408972255	QJGGMOUVYLGZCG-NUOGGNPJSA-N	604.534	6.526	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408980711	SMERQZFXOASPHC-OFGWUUMASA-N	532.424	5.814	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)cc2I)cc1	408997049	GCOHCBROGUDDTF-OXUBWTJQSA-N	799.979	6.168	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	408999283	UMJKXOMAMYVIPO-UZWMFBFFSA-N	537.572	5.329	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409018797	ZHJJNSPJUGWWFL-XZYGTATASA-N	628.751	6.331	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccccc1C#N	409021720	UXZVKUHKVUCGFV-DBFSUHOCSA-N	538.785	6.072	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccccc1	409034029	GJTGYIWRCWFKQZ-QXUDOOCXSA-N	627.482	7.248	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(C#N)cc1	409037327	NATSBNVAEMPBBM-XICOUIIWSA-N	526.596	6.515	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	409122689	AVTGVAJBXOUEMJ-ATZGPIRCSA-N	724.404	6.531	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCc1cccc2ccccc12	409146551	TUSWZGYVKCYRML-KBVAKVRCSA-N	598.868	6.768	50	40	KKGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-]	409163232	NWYNWPWIERFXAT-IEJUQREYSA-N	589.476	6.310	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1ccc(Br)cc1	409165837	ANRUCNPJVAODGA-MHDJOFBISA-N	721.390	5.360	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1	409185498	MBGXSINJKPPDKK-CFZDZXEDSA-N	644.591	6.883	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br	409213343	SMQRFBHHOCPGIL-KVSWJAHQSA-N	593.728	6.558	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1ccc(Cl)cc1	409224838	MKRAQMOUBPNSEP-VSPBFFAOSA-N	576.996	5.215	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2ccc(Cl)cc2)cc1	409226798	XBHMVUQHKHLLGZ-QMXVFCFMSA-N	548.983	5.616	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)n1	409239475	NPHWSJONLSPWMX-CCVNUDIWSA-N	535.467	5.831	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1	409251538	PLTMAGUHPJCGNX-YVLHZVERSA-N	558.805	5.997	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409267959	YHZMKZDIBAONHQ-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OCC	409314488	ROAYGAKLYRDLPJ-UHBFCERESA-N	575.887	6.642	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409316100	PDYVLZHWHSTQOP-KYHGBAKBSA-N	632.939	6.470	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)cc1OC	409319014	ZYNRZYOLIIHQCK-NUJZUDFISA-N	620.294	6.050	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)ccc1OC	409319799	MAFVKDRQBVCDEB-FDVSRXAVSA-N	592.405	5.579	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OC	409320135	PFWRVSJMAOHAFI-MBTHVWNTSA-N	619.412	5.348	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1ccc(Br)cc1	409373758	UKDHKMPVVKQINZ-WCMJOSRZSA-N	612.318	7.115	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2OC)ccc1OCc1ccccc1	409378118	MEVAXDATMKQBJI-FZKWRIDDSA-N	588.060	6.108	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409396095	WJYCKQJOHHBEAL-UHFFFAOYSA-N	740.202	7.834	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409397663	MLNLVAKOFFYZKC-UHFFFAOYSA-N	552.428	6.889	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3cccc(C(=O)O)c3)o2)cc1	409399989	ASWRXWVCZLSROS-QMRORBIVSA-N	687.503	6.978	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OC(C)C	409404698	QQIAOCTXWSXZFB-BJUCDSOZSA-N	673.402	7.741	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	1529544794	OCHDWFJWSQGISA-RUMCWGKLSA-N	704.252	7.350	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	1529547837	PQQCTEOVHBPTQB-JYALLGCPSA-N	672.001	5.567	50	40	KKGB	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)[C@@H](CCl)C(O)(O)C(=O)CCCCCCC/C=C\CCCCCCCC	1570003305	WAPCBCPPIHHTHV-LDRUGDRHSA-N	637.430	11.512	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccc(-c2ccccc2)cc1	1772922	PKSMDXJGBITKKJ-BIZUNTBRSA-N	550.709	6.235	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccco3)nc3sc4c(c3c2=O)CCCC4)cc1	1823171	HPSQFPSLBDMSAY-IGAMEHHSSA-N	504.637	5.135	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)nnc2-c2cccnc2)cc1	2698243	YXMHHDZRMJDWTP-XODNFHPESA-N	527.437	5.277	50	40	KKGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	8384486	QIVFEGOGRGFFPL-MHDJOFBISA-N	626.053	5.425	50	40	KKGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5Cl)cc4)CC(=O)N3C2)cc1	12251083	JEMHQTCEKFDQBJ-DEOSSOPVSA-N	518.038	6.147	50	40	KKGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	28213733	WKOYEVBHYMQIND-UVHMKAGCSA-N	502.423	5.394	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@]4(Br)C[C@@H](OC(=O)C[C@@H](C)CC)CC[C@]4(C)[C@H]3CC[C@]12C	70692316	VKBCMZKYIQGGGT-PGZPLOIESA-N	644.617	10.635	50	40	KKGB	biogenic
CCOc1cc(/C=N\NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc(I)c1OCc1ccc(Cl)cc1Cl	97944547	LGCJHTDBYVZJRI-FBDOHSIVSA-N	712.368	6.209	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	97949599	LLHNDFXVYFYROT-JOCHJYFZSA-N	535.050	5.752	50	40	KKGB	
CC1(C)CC(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)CC(C)(C)N1	97952658	ROTRKAINVNDRQV-YXKWSERDSA-N	543.182	5.098	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)c1	97960788	FJGXOGJKNXGTFG-NDENLUEZSA-N	554.384	5.823	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)NC(C)=C1C(=O)Nc1ccccc1	98000253	DDPISNZYPDBXAD-SSEXGKCCSA-N	552.700	6.409	50	40	KKGB	
O=C(N/N=C/c1ccccc1Br)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	100054104	MQYIPXYBYIMVQS-VUTHCHCSSA-N	548.462	5.609	50	40	KKGB	
N#CC1=C(SCc2ccccc2)N[C@@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	100090666	JDQCXFCAPNRVGF-DPLHUUCSSA-N	535.012	6.507	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	100391540	CLUJNQJVNXXIAV-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1Cl	100393831	GVAWXXZBTZFDRD-JFLMPSFJSA-N	569.308	5.140	50	40	KKGB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(/C=C(\C#N)c4nc5ccccc5s4)cc3)cc2)C[C@H](C)O1	100816522	UYHHGHATHSRWIJ-HWZSRVGFSA-N	559.669	5.378	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1	100925344	WMJCRUFJIUJRLZ-SCIJIFGBSA-N	522.424	5.093	50	40	KKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1	100956780	VQISTNWAYBRWSF-OHQITXMPSA-N	530.093	7.056	50	40	KKGB	
CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1c(C[C@@H](Br)CBr)cc2c(C)cc(=O)oc2c1C	101509872	PINXDZNNUYASCS-IFMALSPDSA-N	623.338	6.111	50	40	KKGB	
Cc1ccsc1/C=C(\C#N)c1nc(-c2cc3cc(Br)cc(Br)c3oc2=O)cs1	102609960	DIFMHWQAQJKEBT-WUXMJOGZSA-N	534.254	6.876	50	40	KKGB	
N#C/C(=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nnc(NC(=O)c2ccccc2)s1	104849079	LNZAAPLILYFYGP-ATVHPVEESA-N	537.479	6.574	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc([N+](=O)[O-])cc5)(c5ccccc54)[C@H]3C2=O)cc1	112255003	PSDBJVRDEVCGPS-RFLLQGDQSA-N	614.658	5.279	50	40	KKGB	
COc1cccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3C)CCCN2Cc2ccc(N(CCCl)CCCl)cc2C)c1O	150374463	DNFVPXMWROQXPK-UHFFFAOYSA-N	696.591	7.992	50	40	KKGB	
O=C(CCCC(=O)N/N=C\c1cc(Br)cc(Br)c1)N/N=C\c1cc(Br)cc(Br)c1	150375569	NWXONASPZVESSY-OASZVOALSA-N	651.979	5.507	50	40	KKGB	
CCN(CC)CCOc1cc2c(cc1Cl)-c1cc(Cl)c(OCCN(CC)CC)cc1C2=NNC(=O)Nc1ccc(Cl)cc1	150409608	YOXVGHWCNOVQSO-UHFFFAOYSA-N	647.047	7.643	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	216063549	WDUSYAGFEAWTID-BIZUNTBRSA-N	561.476	7.133	50	40	KKGB	
CCOc1ccc([C@@H]2[C@H](C(=C(C#N)C#N)C3CC3)[C@@H]3c4ccccc4C=CN3[C@H]2C(=O)c2ccccc2)c(OCC)c1	239433036	XCYIDOKEMFZAQO-HDBFZYDSSA-N	555.678	7.230	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	408538105	JCZXQICPCWZLDE-BOPFTXTBSA-N	502.365	5.871	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)cc2Br)ccc1OCc1ccccc1	408540758	VQRJUKWLERRZTH-ADJDCTSUSA-N	706.353	8.551	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc(Br)c3)o2)c(C(=O)OCC)c1C	408546324	GPFJKGNXEOQRGY-SFQUDFHCSA-N	556.434	6.151	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408568266	SHUMRHOAFRFCHP-LUOAPIJWSA-N	630.222	5.866	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408583492	UZZITXLPLSFRIU-SRZZPIQSSA-N	538.394	6.206	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)CC2=O)cc1	408602378	DGDCXYJKSXPNRO-QGZVFWFLSA-N	530.408	5.086	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)cc1	408640135	AMFYXUKILRJZCP-NCPQUSJXSA-N	728.821	5.886	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nc2ccccc2n1Cc1ccccc1Cl	408719095	IVNRDVUDPARQIX-HZHRSRAPSA-N	567.907	9.112	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408726028	OTDLMHPURRLDKU-VULFUBBASA-N	532.232	5.492	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408745238	QNELWTFPVNKQQU-ODLFYWEKSA-N	522.355	5.799	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)ccc1I	408745901	ASYAMIGDDVCEPV-KBKYJPHKSA-N	689.098	6.076	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408753544	AROWCWDRRNAKLQ-UCQKPKSFSA-N	561.432	6.399	50	40	KKGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	408768622	ZAAZAFKMGZFDAJ-ZCTHSVRISA-N	511.578	5.478	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccc(C)cc2)cc1	408783974	PTAYTYBOLRTIIO-VULFUBBASA-N	522.479	5.369	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408790475	WMGJEJWNXNEZBK-RGVLZGJSSA-N	574.302	7.896	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(I)cc1	408792592	LEHDYXOGVOPMEY-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1	408792885	BUVGBXYNPYDKBC-DEDYPNTBSA-N	678.264	6.197	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408804823	ZOBQFPLWILTEAN-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc2ccccc2c1	408814169	QJOUJZFIMFMPQA-XYGWBWBKSA-N	541.420	7.595	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408816206	JDAKZOXODYLNHR-LMPLPLJQSA-N	659.570	7.440	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408822643	CMQMLTMQSYVKQD-GIJQJNRQSA-N	616.852	6.551	50	40	KKGB	
Cc1c(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	408824897	BCXPMNMMIYHLTH-XICOUIIWSA-N	644.153	5.062	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OC(C)C	408832768	IYGJQLZONMERHD-UDWIEESQSA-N	511.405	6.914	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)NCc3ccc(Cl)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408833202	WOHBJXRXEAMVPS-UCQKPKSFSA-N	628.965	7.163	50	40	KKGB	
O=C(NNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408838815	IVBOLEINFYYUIH-UHFFFAOYSA-N	664.346	7.421	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1	408839920	BJHZEGNLHMYYJX-IRWBXMRWSA-N	765.393	8.698	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408840492	CBYFIDGSDUFISZ-ZHSUKTGHSA-N	678.487	7.247	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc([N+](=O)[O-])c5)cc4)cc3)cs2)cc1	408842778	KUWPBEKSVZEHNM-KCSSXMTESA-N	563.639	7.113	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)cc1OCc1ccc(F)cc1	408844182	HFXDJRWNHFFPKX-IPBVOBEMSA-N	645.117	6.560	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1	408846784	RWYDYBIHHJVHIM-ZXSNDDASSA-N	564.483	7.558	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408849922	BAVKEKZNTIJFJY-GKVNEZTPSA-N	649.545	8.195	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)c2cc(Cl)ccc2OC)cc1OC	408861046	LRFONSRHQQROJF-IZYHBKOJSA-N	747.064	6.370	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)c2cc(C)cc(C)c2)cc1OC	408861551	BSNVEJMSJGEPNH-JWHWKPFMSA-N	614.724	5.309	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccc(C)cc1	408862729	ISDSHFYEIFZUQI-HPNXWYHWSA-N	607.732	6.390	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408872801	IZFKYUIUCIRRII-VXLYETTFSA-N	515.824	7.342	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(OCC)c2)cc1	408875131	DISKNSTYEVNEGV-PXLXIMEGSA-N	505.412	6.383	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408877124	QCRKHNFCESMATK-FABQOPTDSA-N	639.105	5.159	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OS(=O)(=O)c1ccc(C)cc1	408886806	MIDXXJAKBLZIJM-FMFFXOCNSA-N	580.747	6.155	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccccc1Cl	408889010	APYVJLZXDPSUBM-VCHYOVAHSA-N	637.699	7.230	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1ccc(OC)cc1	408891784	VIRBBWGGMGSRNX-XMHGGMMESA-N	521.367	5.621	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(OC)c1	408948000	OMJGFLHSIFRMDF-JGCGQSQUSA-N	764.642	5.917	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408958355	YAUYDNNDJIZPFT-ILBQVMEMSA-N	846.300	6.668	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(I)cc1	408961369	BQCYJHFPKNRYCE-VVEOGCPPSA-N	647.229	6.814	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl	408963527	FHVPRUJHYRMPBT-KTOPISSASA-N	654.978	6.880	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1cccc(F)c1	408983109	KOJOBKLQEXFLJK-NVMNQCDNSA-N	576.793	6.525	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408985719	YDANEIXHYPHFID-MFOYZWKCSA-N	699.670	6.891	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	409018348	URECCSDMMQMBAE-STXQRMBJSA-N	561.422	5.610	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409024204	BMTGYNNETDIYHX-SGOVFIMHSA-N	605.116	6.080	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)sc2c1CCCC2	409036702	LNIZCRJNSQVWOK-OJYCWLPVSA-N	576.722	7.190	50	40	KKGB	
N#Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccc(Cl)cc4Cl)(c4ccccc43)[C@@H]2C1=O	409042924	LOWYKEPGUCHABK-FOKLERBQSA-N	591.454	5.832	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)c1C	409050062	ZUBDFYAMTPWYDU-QGMBQPNBSA-N	609.145	8.260	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl	409065929	GJIWCLTVWYXZTL-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)C2=C1CC(C)(C)CC2=O	409128956	SYAAHRJGRPWNJL-VWLOTQADSA-N	640.376	6.045	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccccc1C#N	409141551	VLGIDDNDMFXJKJ-HHHXNRCGSA-N	561.082	5.572	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409164241	FKDMRLAFHHKRAM-ROPCREHHSA-N	595.405	6.289	50	40	KKGB	
CCOc1ccccc1NC(=O)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409186866	IWNMXAGLVFLCDQ-WGARJPEWSA-N	547.247	6.345	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)cc2c1	409187019	KXKLRFOIYXHAMF-OJYCWLPVSA-N	535.688	7.471	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409202411	QJEQAPVTBOALJD-WQRHYEAKSA-N	500.267	5.982	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	409217647	RDIJJGXZROCKJC-AUEPDCJTSA-N	516.269	6.743	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409227985	YSGRJFRNNLZIMS-UHFFFAOYSA-N	700.181	7.210	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)n1	409244056	WXPATKYTHWYDCU-VFLNYLIXSA-N	708.363	6.277	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409257397	QQBFFJIQSIJESE-WKIKZPBSSA-N	575.803	5.191	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409261778	BEFOBBUXGDWTJZ-FYJGNVAPSA-N	503.986	5.919	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3C)c(Br)c2)cc1	409261882	DYYLSLGCGZSIJA-MOSHPQCFSA-N	504.384	5.629	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccccc1	409265885	UTYCDYFICGNBQV-OHUYPAJKSA-N	626.536	7.098	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)NCc1ccccc1	409267635	VHSLCZIGXRVCAD-XDHOZWIPSA-N	524.802	5.343	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC	409305796	XLCKEWDSIIKHMC-VYYCAZPPSA-N	603.382	5.628	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OCC	409317010	OAGMLQPECOXNLF-YKQZZPSBSA-N	664.518	5.493	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OCC	409322763	KXOAJEFNWHBDAO-UHBFCERESA-N	531.436	6.532	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCc1ccccc1Cl	409364678	OMRHNYLDDMMNRD-FDVSRXAVSA-N	576.862	6.232	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(OCc2ccccc2)c1	409367480	BDOPVUUCGAYHTD-FZPRHHONSA-N	661.405	6.676	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)c1nc2ccccc2[nH]1	409374612	UYUGDRIYBXIGOL-LICLKQGHSA-N	603.201	6.415	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)cc1	409380074	GZYWJLSKWLKNNS-HQDYHJHZSA-N	656.562	7.106	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409381380	GNNHJGBYBIJBQM-NVMNQCDNSA-N	519.226	6.431	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409394720	FBUPCITXHYFCKZ-UHFFFAOYSA-N	647.323	7.352	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394866	GWIOLMKAJSGNAY-UHFFFAOYSA-N	617.843	7.142	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)c(-c3ccccc3)c2c1	409395039	JDOBARMFGNDDRJ-UHFFFAOYSA-N	596.481	7.288	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3Cl)c2c1	409395316	MESIWMAIDVPQEK-UHFFFAOYSA-N	614.054	6.506	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396472	RVVTYXRYNXCBTL-UHFFFAOYSA-N	615.517	7.590	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396568	XATCOAUUNCZWCL-UHFFFAOYSA-N	586.019	7.018	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(C)cc1	409402832	LFHUAHQYWNEJTN-WBIBEUCMSA-N	642.550	7.689	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)OC(C)C	409403485	NDLUJWDYUZUBIF-KMUKQRDJSA-N	599.684	6.098	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccccc1	409407267	ZFSLJPMGSYSNCY-UHFFFAOYSA-N	592.652	6.056	50	40	KKGB	
CO[C@@H]1[C@H](C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](CC=O)[C@@H]1CS(=O)(=O)c1ccc(C)cc1	504772245	KOLNCCOWEPGLNP-OFGRGEMESA-N	614.994	6.559	50	40	KKGB	
COc1cc(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc([N+](=O)[O-])c1	1531386451	ZJWNDBLCBDMFFY-AEUUOICLSA-N	673.520	7.288	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1Cl	1950322	KEGDWSNOVPYTBD-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(F)cc1	3085910	CMKTWLCTQTYLIG-OPEKNORGSA-N	535.167	5.073	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)cc1	3114299	RSFQFLXSELLTBG-KCSSXMTESA-N	565.508	6.911	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2I)c(C)n1-c1ccc(Cl)c(Cl)c1	3254454	ROHOGWPYTHBERH-MHWRWJLKSA-N	536.200	6.551	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(OC)cc2)cc1	4527903	VMKPYRARDDZSLL-CTQPMARESA-N	706.796	6.863	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OC(=O)c1ccc(Br)cc1	6600505	PVILDVZYDIERPN-CCVNUDIWSA-N	545.817	5.558	50	40	KKGB	
N#C/C(=C\Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1	9065230	SLRLGDUPODJGFF-XDJHFCHBSA-N	509.974	6.777	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3O)c2C)cc1Br	14408710	MHWVODIDIMYJCE-BHGWPJFGSA-N	505.210	5.397	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2OC)=C(C#N)[C@@H]1c1ccco1	20136776	JHSXBRYZRNTSAQ-XMMPIXPASA-N	515.591	5.056	50	40	KKGB	
N#C/C(=C/c1ccco1)c1nc(-c2cc3cc(Br)cc(Br)c3oc2=O)cs1	33669254	UEYASIGUVLCTND-WZUFQYTHSA-N	504.159	6.099	50	40	KKGB	
COc1ccc(N2C(=O)/C(=C\NNC(=O)c3sc4ccccc4c3Cl)c3ccccc3C2=O)cc1OC	53388857	ZSOBSZXOSPVMLO-RGEXLXHISA-N	533.993	5.034	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC[C@H]1CCCO1	97946318	WSQZTPDEAWEBJA-AZUOUTSGSA-N	539.035	5.974	50	40	KKGB	
CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(COc2ccc(Br)cc2)o1	97965829	RCPCXZGTBGURGA-LFIBNONCSA-N	543.439	6.528	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OCc1ccccc1Cl	97966029	UGGACZIAUZLMMJ-XKJRVUDJSA-N	607.832	5.213	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1	97968703	QPKLDFXUOKSIBW-SCHJHDHGSA-N	532.065	5.442	50	40	KKGB	
CC/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(OC)c(OC)c1	100154808	OASMRDXJZKUDNE-CDSHQWRTSA-N	606.144	6.605	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1cccc(Br)c1	100876041	RQPZOWCEARMAMH-YUMHPJSZSA-N	540.874	5.983	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3nccs3)NC(C)=C2C(=O)Nc2ccccc2)cc1	100952193	GEOZOVXUDLQSFM-XMMPIXPASA-N	531.663	5.248	50	40	KKGB	
O=C(N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21	100982272	AVJVPROWJLZHME-SANMLTNESA-N	527.448	5.505	50	40	KKGB	
Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(Br)cc2)C1=O	100990692	TUZLPCZVLVTCOP-FYAMCCBRSA-N	532.463	5.500	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)s1	101895110	WEQLTQJOCJEISK-FDAWAROLSA-N	535.629	5.524	50	40	KKGB	
CCCCCCCCCCN(CCCCCCCCCC)C(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=C(C#N)C#N	103006867	HEQIMBGCAGTFAV-UHFFFAOYSA-N	641.813	10.056	50	40	KKGB	
c1ccc([PH](Cc2cccc(C[PH](c3ccccc3)(c3ccccc3)c3ccccc3)c2)(c2ccccc2)c2ccccc2)cc1	104111255	MBNAHCUIJRZMKO-UHFFFAOYSA-N	630.752	8.139	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1ccc(Br)cc1	109556400	XRTXKKKFFFUEGG-QNGOZBTKSA-N	533.403	5.916	50	40	KKGB	
CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341327	USBOLEILIAWZCF-MRVPVSSYSA-N	708.181	9.795	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(Br)C(=O)CBr)[C@@H]3C[C@@H](Br)[C@]2(Br)C1	150362844	KPZJILDRZNNZHU-AAYBIBMPSA-N	676.122	6.949	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	162484298	QLQSDCWAQWQSHB-QNVXDBMFSA-N	782.453	6.615	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795295	SPOCRDDUEFTIAV-RNFRBKRXSA-N	888.047	10.751	50	40	KKGB	
CCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169806580	AKDASAAPMBNOJM-UHFFFAOYSA-N	682.337	7.854	50	40	KKGB	
CCO[Si](OCC)(OCC)[C@H](CC)N(C/C=C\c1ccccc1)[C@@H](CC)[Si](OCC)(OCC)OCC	225817039	XGCBTBASHSIEKP-KILWUAMJSA-N	541.878	5.734	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](c2cccnc2)[P@@](=O)(O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)O[C@@H]2C[C@H](C(C)C)CC[C@H]2C)cc1	251734993	JBWIQTGKLBLKDA-LOKDHAGZSA-N	650.797	9.387	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408539748	YNSMGIGNYJTIJY-JEPNHJGPSA-N	625.622	9.372	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1	408551646	DXZZETYVKXQHQZ-QGOAFFKASA-N	510.377	5.955	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408552492	IYNGIUDODFUIID-LFVJCYFKSA-N	611.565	7.793	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552663	UKYJYMTYFAMKNZ-FRKPEAEDSA-N	666.222	8.455	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552907	LPYCDOHQWBYINA-OVCLIPMQSA-N	589.298	7.456	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(I)cc1	408569277	MRIRKQAHJDYDCN-MFOYZWKCSA-N	618.244	7.111	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1cccc2ccccc12	408569302	MZVSXCMLWXOTRU-DPNNOFEESA-N	637.621	7.588	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1OC	408583476	UXADJESLXUXDBD-LDADJPATSA-N	500.370	5.298	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N2C(=N1)SC(C#N)=C2N	408605274	LMGPVVYXRBBARV-HXUWFJFHSA-N	503.411	5.982	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	408650272	MDEUACAOQHRFSS-NJYVYQBISA-N	521.828	5.406	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)Nc1ccc(Br)cc1	408743984	IXXLIURHCUDTLR-NCELDCMTSA-N	589.449	8.028	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(I)c2)cc1	408744218	JRBSKASUICQYBU-BKUYFWCQSA-N	549.368	5.686	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(I)c1OCC	408758030	FVLFUJBKJSKSJG-YBFXNURJSA-N	512.347	5.787	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(Br)cc1	408768205	CVCDDOLJCBFFSU-QNGOZBTKSA-N	520.427	6.038	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	408777376	YCAMXHFMNMLJAU-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1c(Cl)cccc1Cl	408778460	UTCDSCGQXUXMFV-YBEGLDIGSA-N	611.238	7.260	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408793101	NJTYUAPZBHRKNM-GZTJUZNOSA-N	528.200	6.042	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793779	GFVHKAVZVNPSQR-OEAKJJBVSA-N	547.413	7.836	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408794546	JMPHXJUMBSWEOD-UDWIEESQSA-N	506.356	6.044	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)cc2)cc1	408795416	LBKZTIWEAFNPJN-XSFVSMFZSA-N	538.341	5.202	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408798277	VVEZOMDWIKWUPR-YBFXNURJSA-N	539.329	5.633	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(F)cc1	408798914	XHOLYYYCOUBKLX-UDWIEESQSA-N	509.375	6.420	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1	408799795	LGJZHUBHQMUUKM-CIAFOILYSA-N	583.866	6.803	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)c(C)c2)cc1	408806952	NSGNKCZEZVKFLW-LPYMAVHISA-N	519.395	5.977	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408811666	AGHHPAXYTBNKLN-SXGWCWSVSA-N	550.211	7.028	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	408819252	YSTYYGVOXKNNIQ-UDWIEESQSA-N	521.831	8.233	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)c3ccccc3C)o2)cc1	408821977	AUIUBUMRNAMUGZ-WCMJOSRZSA-N	570.498	6.358	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	408828117	IWWWEAGFYLUGAX-HNSNBQBZSA-N	621.115	5.232	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2ccc(C)c(Cl)c2)cc1	408837584	JIVROYPJYWPGBI-IPPBACCNSA-N	523.964	5.321	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(F)cc1	408838766	ICQXSUADYRACNY-XZYGTATASA-N	580.685	7.743	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(C)cc1	408842152	MURLJFHLUNUEEY-PUHLOBNQSA-N	603.066	7.538	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(I)cc1	408849546	ZEXXEHVXIMABQR-FABQOPTDSA-N	674.564	7.818	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(C)c1	408849711	YLQZLHLAQQICHI-LRIZEKIPSA-N	618.575	8.595	50	40	KKGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408864213	TZWVATIVNKQVPS-QNKGDIEWSA-N	594.649	5.673	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2cc(Cl)cc(Cl)c2)cc1	408873023	QUKDTGCIVDXTME-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2Cl)cc1	408892810	COQPUABWIPJMTO-FABQOPTDSA-N	619.611	7.453	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc(C(C)(C)C)c1O	408896590	SHKBQZJDDAUBSR-FABQOPTDSA-N	599.997	8.065	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922187	DVASAMPXWFBKBM-SFQUDFHCSA-N	560.415	5.274	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccccc1F	408926731	XUWUCULDLLVIKV-RQZCQDPDSA-N	564.238	7.418	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408947054	NNNSOGIYMRYJES-HHHXNRCGSA-N	889.348	6.122	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccccc2I)c(C)n1-c1ccc(C(C)(C)C)cc1	408966961	OGYKZXUWJZYWNO-DICXZTSXSA-N	529.422	5.525	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1	408980523	RREHMLGJCKQVII-QQNPRBCQSA-N	524.415	5.356	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409012479	IFMNBSXTZNCMEC-XDPOOMEQSA-N	688.652	7.573	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccccc1Cl	409012857	IZQMRCZQDYANTK-IIYUFLQKSA-N	652.104	6.157	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12	409018316	UMXHLCUPYDHVHP-OTOOMKDXSA-N	636.576	7.183	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	409028488	NVKHINBHUGBKDU-JJKYIXSRSA-N	505.684	5.645	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409031142	IYPBWENPIZQYEO-RWPZCVJISA-N	553.254	6.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409046393	KLGAJLRYLIAVPZ-FYJGNVAPSA-N	503.986	5.919	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)Cc2ccc(Cl)cc2Cl)cc1	409071936	QMGJDJOGSJOVKG-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409074755	VJCZXRLUDUKBNX-LFIBNONCSA-N	643.286	6.310	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)c(Br)cc1OCc1cccc2ccccc12	409077117	CZHOWKARUFJUBM-FDVSRXAVSA-N	568.265	6.716	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409091252	OVSSUEWIFATFJJ-XDHOZWIPSA-N	525.483	6.967	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccccc1	409093350	YWORZAFXSUDISX-XNTDXEJSSA-N	532.272	6.714	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Br)cc1	409144377	NYCQDVUAJQGTKE-HSZRJFAPSA-N	587.312	5.919	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	409145904	SLJCCRYVVHKABH-JOCHJYFZSA-N	553.210	5.586	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1	409150854	FDHDERFBSSHYKN-MPRHAZATSA-N	617.795	5.781	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)cc1	409172884	GIVWLKBJMFYVHB-OKCVXOCRSA-N	601.885	5.388	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(C)c(C)c5)(c5ccccc54)[C@@H]3C2=O)cc1	409180074	WFKWNBKRXATFMG-RLPZBRITSA-N	553.662	5.507	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OC(C)C	409213435	VCEIJJKIAWPIOQ-FOKLQQMPSA-N	532.831	5.373	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC	409217709	AEOONWRYWIKDMN-UHFFFAOYSA-N	666.912	6.364	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cccc(C(F)(F)F)c2)cc1	409223267	GMTZABALHIFIFA-DBFSUHOCSA-N	503.864	5.300	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1	409224115	JCUCKTRFOUFHJM-BSDBSMTKSA-N	726.765	7.408	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409248020	JNQVIDASYQZOCD-BKUYFWCQSA-N	588.727	7.100	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)n1	409250991	SKQNWNYTBBUKSQ-KVSWJAHQSA-N	512.466	5.954	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccccc1C	409255323	JNFKOHSMEIAVHM-YBFXNURJSA-N	602.407	6.738	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409259034	XDEQXHRCDXAFIK-AEUUOICLSA-N	670.589	7.415	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409260675	ULSDRVUVKUKMGY-ODLFYWEKSA-N	615.855	6.133	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409272849	SVYNWELOSANUNO-YBFXNURJSA-N	597.409	5.185	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1OCC	409309090	BGQMGEYXAACLEX-MWLSYYOVSA-N	543.845	6.409	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)ccc1OCc1ccccc1	409309529	ITELKURNGUCUFZ-MZFJOGFUSA-N	523.589	5.364	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1OC	409330521	BDDOWXAZVXHOGP-MWLSYYOVSA-N	509.990	5.227	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409371862	ASTGBOZFOWQRLF-IURWMYGYSA-N	731.155	7.707	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409373193	OIKWHPATTMSMHU-IURWMYGYSA-N	592.704	7.914	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Br)c1OCc1ccc(Br)cc1	409377108	DPNRCTUDCLZKCN-UVHMKAGCSA-N	553.295	5.172	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384306	ARCQLPYXWLXIHI-BRJLIKDPSA-N	555.366	5.823	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1	409390028	BPOYEGBDPMTRSW-KPGMTVGESA-N	613.883	6.638	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c(O)c1	409393176	VBOFZJYCHUUQEQ-RWPZCVJISA-N	505.368	5.659	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397542	LBBZEVQGNYFWAK-UHFFFAOYSA-N	705.505	6.457	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409398673	VCVMCZVBIIRDLX-UHFFFAOYSA-N	636.424	7.608	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409399955	AMCMEMRPRRYDAH-VHFSBPNMSA-N	700.546	7.027	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OC	409401868	ILBNGDBGOKTAJK-MZFJOGFUSA-N	527.621	6.166	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)o2)cc1	409406720	CFUFKNOWVUPGEI-YLYVUXRMSA-N	760.266	9.081	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Br)cc1	1529547717	OKCSYQBNXDTNGT-LLUBMPASSA-N	721.674	6.040	50	40	KKGB	
Cc1nc(SCC2=C(C(=O)OC(C)C)[C@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)c(C#N)c(C)c1C	1052116	BRSILQOHQUHUJB-JOCHJYFZSA-N	509.031	5.338	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Br)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1765480	ICIFAWJTIYDNRH-OCSSWDANSA-N	578.536	6.245	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc4ccccc34)N=C3CCCC(O)=C32)ccc1O	2329486	KDDCEYAKAJTZFV-MHZLTWQESA-N	511.603	6.195	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)Nc2ccccc2)c1C	2369590	HUHLOIAXDDDUTQ-CYVLTUHYSA-N	514.632	6.586	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2596183	KZKCFDQPDNGUJU-WCMJOSRZSA-N	552.531	7.089	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(OC(=O)c3ccco3)cc2)P(=O)(c2ccccc2)c2ccccc2)cc1	3214890	HGZSFWGLLCQUTJ-SSEXGKCCSA-N	571.591	5.798	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)cc(Br)c2OC)cc1	8427210	MGWRSCACCTZQIH-UALWBICRSA-N	628.365	5.988	50	40	KKGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	8439806	KFJABYXMMQXPAE-WCMJOSRZSA-N	566.989	5.053	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3[nH]nc(C)c3-c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1	9290272	YYWZVPBVXDIOHI-VWLOTQADSA-N	514.029	5.988	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	12250462	LDWYCKBRZZAHIJ-MHZLTWQESA-N	512.635	5.911	50	40	KKGB	
CCc1nc2ccccc2c(C(=O)OCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)c1C	13098439	KSOKRRJDZBNFFD-ATZGPIRCSA-N	519.523	6.349	50	40	KKGB	
CC(C)(C)P(=NC(=S)NNC(=O)c1ccc(Cl)cc1)(N1CCCCCC1)N1CCCCCC1	15906313	AHRJSFOGNINMBI-UHFFFAOYSA-N	512.104	6.441	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N1	20348524	FBGGSPALEUCCDK-MHZLTWQESA-N	508.647	6.010	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(Cl)c1	21965103	MYQZDPAJRANHNB-MZJWZYIUSA-N	514.003	5.609	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	33354820	FVZVYPQAMXHENX-DSXRDXOXSA-N	642.462	5.327	50	40	KKGB	
Cc1ccccc1OCc1nc2ccccc2n1CC(=O)N/N=C/c1c(O)ccc2cc(Br)ccc12	59102416	AAUQRKNGGICCEN-FJEPWZHXSA-N	543.421	5.695	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(Br)c1OC(=O)c1ccc(C)cc1	97957807	ROPPCQNMKPFOOC-CCVNUDIWSA-N	525.399	5.131	50	40	KKGB	
O=C(N[C@H](Sc1nccc(S[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)n1)C(Cl)Cl)c1ccccc1	97983165	RJKNACWHHQHLIQ-WOJBJXKFSA-N	610.803	6.347	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccccc3)o2)cc1	100139618	ATZVVKNUXHQNEK-FZPRHHONSA-N	613.523	5.052	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1OCc1ccc(Br)cc1	100371183	GWZSOFZUHWAUDY-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)COc2cc(C)ccc2C(C)C)c2cc(Br)ccc21	100603569	LACIVVAWOHMQSJ-BLCKFSMSSA-N	571.560	5.987	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1	100991395	RPZLBCFHXFMUQU-BDPHVXEFSA-N	526.420	6.506	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccccc1OCc1ccccc1	150383266	LHURNKNFKSMCTG-BSAWEUQCSA-N	652.562	5.891	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	150414744	SMDKZJPECVNUCQ-UHFFFAOYSA-N	640.161	6.238	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2cc(Cl)ccc2OC)cc1OC	150474397	NJQWREXZQUZZEO-ATZGPIRCSA-N	690.016	5.881	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc2c(c1)OCO2	164746122	FFFQKAPNJDAJHM-IUXPMGMMSA-N	637.257	6.850	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2OC)ccc1OCc1ccccc1	408537044	BXZXTYORJGPDDK-AFUMVMLFSA-N	637.054	8.470	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(OCc4ccccc4)c(OC)c3)cc2)cc1	408537938	IHEJYHKYIUAQMG-IMRQLAEWSA-N	548.595	6.185	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)Cc3ccccc3)cc2Cl)ccc1OCc1ccccc1	408538566	AAPOZDPLSNHGTG-FZKWRIDDSA-N	563.481	7.243	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc(C(=O)O)cc1	408541211	FGKKNNHNBWJUSS-NVMNQCDNSA-N	686.081	7.000	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1OCc1ccc(I)cc1	408570206	SRUNRYVRYZZITB-JFLMPSFJSA-N	590.508	5.878	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1	408585732	HTTBCBSTKBEXNP-GRSHGNNSSA-N	550.223	7.640	50	40	KKGB	
O=C(NNc1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408606037	LCEFZGZRQKFRMI-MRXNPFEDSA-N	549.252	5.831	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)c(Cl)c1	408609826	LQAHUCVKCFBXBV-IPPBACCNSA-N	514.409	5.677	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c2ccc(C)cc2)cc1OC	408728321	ZSBNTNPMWSURCY-WCMJOSRZSA-N	602.496	5.925	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OCc1cccc2ccccc12	408758298	INFSGEMOVPCOEU-BBUXEPKYSA-N	692.638	8.416	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)Nc1ccccc1Br	408766906	WRZMUSWLPBOXDC-LFIBNONCSA-N	545.220	6.319	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)c1C	408788575	LHLUBKSMDNAWPI-UDWIEESQSA-N	587.255	6.795	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408794376	IXTQHKOCEJNUHG-CAOOACKPSA-N	546.794	7.078	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc1Cl	408811326	KXWSJOSGMHIJON-APTWKGOFSA-N	538.003	6.917	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(Cl)cc1Cl	408820850	ZPOXCEDDYLBCPU-PXNMLYILSA-N	550.211	7.028	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)cc1	408821608	JKAVFCTVHZDBCY-UUYOSTAYSA-N	521.411	5.577	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl	408823571	GCOWTZKDZNHXDF-WSDLNYQXSA-N	628.339	9.012	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1	408825059	ABDDCFUAFPYWCW-IBBHUPRXSA-N	590.916	6.703	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc(Br)c1OCc1ccccc1Cl	408825762	GAIQZTHLTJGLPM-OKCVXOCRSA-N	572.887	5.286	50	40	KKGB	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408833611	TVTVHWBDLYBGTJ-MOSHPQCFSA-N	546.476	5.657	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408839965	DTLYYMYPOAKMKI-KCSSXMTESA-N	595.121	5.419	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OC	408840579	ZJYKEJJZEOFZQA-CCVNUDIWSA-N	598.466	6.248	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccc(Br)cc3/C=N/NC(=O)c3ccc(NC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3)sc2c1	408841288	FFXJEVKONKSJRZ-DVRIZHICSA-N	771.929	10.383	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1	408841580	LOMHSHWAHIYPKZ-JEPNHJGPSA-N	633.170	5.711	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1	408849954	BNOHFSKNFRSENF-DBFSUHOCSA-N	606.698	7.353	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1c(C)cc(C)cc1C	408855863	GCKZMJFDIXIYBJ-HUEHPZEESA-N	584.138	5.546	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(I)cc1	408859600	VMLJUFHRDZZOQS-NVJOKUIPSA-N	639.671	6.805	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccc(C)cc1	408861854	VAKVMAKENQLAAX-FMFFXOCNSA-N	572.731	5.764	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2Cl)cc1	408879556	FEVDHAWVDWUGIL-SFQUDFHCSA-N	511.759	5.876	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2Br)cc1	408886925	KBGXTMXIZMCZBR-LFIBNONCSA-N	566.260	6.378	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccccc1C	408888295	YRWOCQRACPWFCF-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Br)c(OC)c2)cc1	408895882	OJDCVLFVNZKQLL-UDWIEESQSA-N	525.830	6.798	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1ccc(C)cc1	408903946	BMTKSKYHFSSAOU-WKIKZPBSSA-N	561.274	6.572	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)ccc1Br	408904261	HFOLODBCZDVBHZ-NVJOKUIPSA-N	532.225	6.671	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2Br)cc1	408923390	IEXQUWOGTVQWDD-MHWRWJLKSA-N	609.285	6.028	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	408926708	XNEVTGMZLXETOH-XHLNEMQHSA-N	616.633	7.427	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1cccc(Cl)c1	408944664	JGRIHCWUCOOLKC-MHZLTWQESA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OCC)c(OCc2ccccc2)cc1Br	408946379	MOFZLHUHQGSCOK-PMERELPUSA-N	681.609	5.312	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(I)cc1	408947087	NQVTVVIIXCDXPG-HKBQPEDESA-N	724.621	5.484	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408955530	OVJHBADHOGUPDN-XODNFHPESA-N	679.123	6.865	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408978386	ZDHUJFMFTIGEHY-ZTCVVROCSA-N	648.710	6.405	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	408980850	TVPPLSZEAVVBKL-ZCGOLBPFSA-N	561.392	5.629	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408982118	FZTRNZSKLBNHQN-GIJQJNRQSA-N	550.269	8.132	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(C)=O)cc2)cc1	409004953	GNNYISOHISLRTM-RGSGHPEVSA-N	577.593	5.256	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1c(Cl)cccc1Cl	409008852	MULYVIXNPSCTCU-CCVNUDIWSA-N	559.302	5.684	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1cccc(F)c1	409016803	JHDNAAWHELNXOB-CPDSRJINSA-N	538.373	5.253	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(I)cc1	409048392	OKRQVUJFGRKCLQ-APTWKGOFSA-N	613.455	6.858	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	409056777	IJDMVYMMOBPBEU-IPBVOBEMSA-N	563.265	5.781	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409065479	IRWGEOXYTXSHTR-LDADJPATSA-N	622.868	5.965	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409089428	MJLGOWMPXGNJPR-PPDIBHTLSA-N	522.226	6.416	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	409182915	PJFDIYHTLVCHPH-MPXJPJFASA-N	630.531	7.042	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F	409184233	FZFCBMTYANLQIF-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	409202680	STXTYHCUVXOUFR-KKMKTNMSSA-N	598.744	6.695	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409227898	XAEFHWWNRGSVNF-MHWRWJLKSA-N	575.246	6.328	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409247691	ANSDXRRPEIXIMB-NDENLUEZSA-N	538.431	6.572	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)cc1	409262116	FHEQGQYJGNZJMZ-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409374516	RRLLFFBQWVZACS-ZDLGFXPLSA-N	557.275	7.983	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	409381019	QUGABPYHBQAZTQ-CPNJWEJPSA-N	520.383	5.329	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409389086	ZFSNVPFTKFOKFX-XDHOZWIPSA-N	507.949	5.749	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)c1	409395712	QWJILWHOSXSRFO-UHFFFAOYSA-N	791.665	8.909	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409396061	VWDOMEYWCHGQAR-UHFFFAOYSA-N	562.840	7.778	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409396609	ZIEAOAFORPDCSE-UHFFFAOYSA-N	650.360	7.953	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398254	RYLWXUVBPVNKAF-UHFFFAOYSA-N	576.411	7.273	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409398624	UWUMIGOQGBEYIA-UHFFFAOYSA-N	612.436	6.318	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409398934	WQEJKQJGFCJETK-UHFFFAOYSA-N	561.594	6.254	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccccc2Cl)cc1Br	1529547429	LBHIGORIAIWBDM-MOEPSENCSA-N	702.027	5.575	50	40	KKGB	
N=C(N)NC(=N)NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	2362801547	RBZOQWWXEOQZRU-UHFFFAOYSA-N	502.667	5.109	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CC[C@H](C)C2	1835870	LASHIZPSJTZSFC-XOAFGZPJSA-N	505.552	5.763	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccccc3Cl)nnc2-c2ccc(C)cc2)cc1	9086548	BSUYTBILEHXKEY-VEILYXNESA-N	506.031	5.537	50	40	KKGB	
COc1cc(/C=C2\SC(=S)N(/C=C(/C#N)C(=O)c3ccc4ccccc4c3)C2=O)cc(OC)c1OC	17223359	BEDGHWXGQPIKKZ-RYVVDRKKSA-N	516.600	5.357	50	40	KKGB	
COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1	19950650	XLXONWCGOXAAEH-UHFFFAOYSA-N	529.703	5.676	50	40	KKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	28214246	CHGYSIBURFZVKU-NKZWWHGNSA-N	502.423	5.642	50	40	KKGB	
C=CCCCCCCCC/C=N/NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C/CCCCCCCCC=C	33958652	HVFCKNMMWXWNFZ-MCMJRYKXSA-N	506.801	7.314	50	40	KKGB	
CCCCCCCC[C@@H](I)[C@@H](I)CCCCCCCC(=O)OCC	72266775	OSUWTUZVEDSJAZ-MOPGFXCFSA-N	564.330	7.638	50	40	KKGB	in-man
CC(C)(C)/[N+]([O-])=C/c1ccc(OCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	95582923	QAMSCJCTMRTPOY-YLHCSOALSA-N	510.638	6.567	50	40	KKGB	in-vivo
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N/N=C/c4ccc(OC)c(COc5cccc(C)c5C)c4)c3N2)cc1	97948857	AWLYGXKMJFUCBH-IYJRJEHDSA-N	607.633	6.520	50	40	KKGB	
COc1ccc(-c2nn(Cc3c(F)cccc3Cl)cc2/C=N/NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cc1OC	97965866	WNYNOXKJGPSXBW-XLDFTUSDSA-N	650.154	7.792	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	100026211	PGDVRGQEFFATPU-KCSSXMTESA-N	561.635	6.066	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100287730	YHVIZOWXMBUJGY-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Cl)c(Cl)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852161	KZKCFDQPDNGUJU-ACXHZZMFSA-N	552.531	7.089	50	40	KKGB	
COc1ccc(-c2nc(CN(Cc3noc(-c4ccc(OC)cc4)n3)C[C@@H](CCl)n3nc(C)cc3C)no2)cc1	101147667	NCKQQILLQRWNKQ-JOCHJYFZSA-N	564.046	5.099	50	40	KKGB	
N#CC(C#N)=C1c2cc(S(=O)(=O)Oc3ccccc3Cl)ccc2-c2ccc(S(=O)(=O)Oc3ccccc3Cl)cc21	101192777	RZBRVQMFNWLWLR-UHFFFAOYSA-N	609.468	6.358	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3cccc(C)c3)=C(C)N2)sc2c1CCCC2	102760688	HMTIBKRLAWIJAV-MHZLTWQESA-N	616.765	6.412	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(Cl)c(Cl)c1	104131776	UCNHLOOXGVBIIX-CBTGBURPSA-N	544.310	7.021	50	40	KKGB	
CCO/C=N\C1=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	104318288	VOXLHSVVVNMELG-OCHQUJFWSA-N	506.562	5.881	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1	104704096	JKZVXASANKCDRW-GZZLJNBRSA-N	570.671	5.073	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	107837272	LTXYEAORSUBJBC-KBVAKVRCSA-N	557.916	7.071	50	40	KKGB	
CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341262	YCQXWJFLQNIBIN-LURJTMIESA-N	880.155	11.556	50	40	KKGB	
FC(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342328	QRWLWVROVFUQBN-REOHCLBHSA-N	892.044	10.928	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795290	LVVNOPVZNPTTLA-BQBZGAKWSA-N	688.019	8.210	50	40	KKGB	
O=C1N[C@@H]2CS[C@@H](CCCCC(=O)N(CCP(c3ccccc3)c3ccccc3)CCP(c3ccccc3)c3ccccc3)[C@@H]2N1	195771781	YQGVXWZSNIQEOR-QOTGTGQHSA-N	667.796	5.807	50	40	KKGB	
N#CC1=C(SCc2ccccc2)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@H]1c1ccc(F)cc1	229978313	GSYBXRCOUJWYKK-YZUZCNPQSA-N	518.557	5.993	50	40	KKGB	
C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@H]2O1	255986754	LYTCVQQGCSNFJU-WCMXRDDASA-N	895.096	5.472	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408538491	NUAIZKZUMCSBDC-YTJQMYRNSA-N	749.687	9.255	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1nc2ccc(F)cc2[nH]1	408568987	XWOSZLOSDSYNDP-RZNTYIFUSA-N	507.179	7.959	50	40	KKGB	
O=C(NNc1cccc(OCc2c(Cl)cccc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408609294	QXEAGXFTXAMVTI-OAHLLOKOSA-N	549.252	5.831	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1	408610549	OCIARXWVLRPWQJ-XODNFHPESA-N	532.797	5.472	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1OCc1c(Cl)cccc1Cl	408611897	XLSWXSQKGLTBFJ-SFHVURJKSA-N	528.436	5.694	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1	408724353	CMEOHYICHQUHLA-XKZIYDEJSA-N	505.412	6.589	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408726034	OGVLYILIZVYTNJ-MTJSOVHGSA-N	597.409	6.340	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccccc1	408741284	IBMZHAXBBSWTKX-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)c1	408742846	CDIIQBXPZHXZHG-NVMNQCDNSA-N	591.218	6.626	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744402	FICSRIVEHBYRIT-CHHVJCJISA-N	709.536	7.981	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)ccc1I	408747701	RRUNBRIPXNGSHN-IPBVOBEMSA-N	664.121	6.721	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)Nc1cccc(Br)c1	408766936	XFDJTTQRWRPFLU-PDGQHHTCSA-N	501.340	5.906	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408777395	YFWYWHKDVSITQZ-JWGURIENSA-N	520.402	5.423	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccc(C)cc1	408777524	BIEGNVFGXVJTGI-QRVIBDJDSA-N	519.439	6.898	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccccc1Cl	408787248	VTUIEORPNKGYHJ-MOSHPQCFSA-N	554.872	6.692	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(I)cc1	408787448	AGTAFXDRIRIVMR-RQZCQDPDSA-N	634.224	6.095	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccccc1F	408791857	DLLQRQALGDVQPB-FYJGNVAPSA-N	523.402	6.674	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)cc1	408806931	BPWANMUTIXLQID-ONUIUJJFSA-N	526.036	6.559	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	408808451	IXOPABJHBGDVIX-XHLNEMQHSA-N	524.620	7.852	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1cccc(Cl)c1	408810867	MZXUGFHKSMUECI-RQZCQDPDSA-N	579.221	6.731	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408810911	LNQWXXGTJAQNQN-VPUKRXIYSA-N	521.231	6.832	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408826748	CVHNGFADHQDICY-HNSNBQBZSA-N	656.986	6.426	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408828532	HNLARARBUZOXDG-ATZGPIRCSA-N	609.973	7.887	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5ccccc5Cl)c(Cl)c4)cc3)cs2)cc1	408838583	GJTICKXZFHMAGX-QNVXDBMFSA-N	621.977	9.165	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408845728	ZDBFTJKJSCDALD-JEPNHJGPSA-N	620.171	6.589	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)s1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408846985	SCCSEUYZZMQXDJ-BHGWPJFGSA-N	517.861	6.795	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc([N+](=O)[O-])c5)c(I)c4)cc3)cs2)cc1	408847573	SXKPJPGBQXMPEC-ATZGPIRCSA-N	689.535	7.718	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408858070	JAZDPJHQCXBDEC-BIZUNTBRSA-N	623.087	5.572	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408873399	QNKWFYPZUWENTO-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408880334	HKOLUGHFQGHKIX-MZJWZYIUSA-N	542.386	5.416	50	40	KKGB	
Cc1c(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1	408892854	KEDRZGGJWBCCMJ-WKULSOCRSA-N	576.893	5.487	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Br	408895870	MCGYJTARNDMHTH-LICLKQGHSA-N	515.766	6.375	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccc(Br)cc1	408922617	FOCCFZWAWVYCKI-MWBNBJEGSA-N	674.474	8.183	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(F)cc1	408927072	ZMTDJJQUFWEQQX-WKULSOCRSA-N	554.359	5.935	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	408939578	AZELETRTWUQBIK-HHHXNRCGSA-N	751.443	6.128	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)c(OC)c1	408952289	JYAAAAIAMFRTGC-KCSCOJLBSA-N	651.116	5.046	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c(OC)c1	408955686	OVSRXQVTQYBOPL-ZBVWQCQISA-N	775.407	5.428	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O	408969138	IAJOZXLYAXDESV-SEVZJSAHSA-N	623.331	5.505	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1	408981527	BPBBENRKBFRAFE-MTJSOVHGSA-N	657.733	8.293	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(Br)c2)cc1Cl	408984445	RDHHRYIAWQOOCO-NVMNQCDNSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc2ccccc2c1	408985428	WVHTZQVHAPAYKW-ZVHZXABRSA-N	531.439	7.978	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccc(Br)cc1	408995419	COBFLBBEJVQQDE-DPNNOFEESA-N	665.338	6.846	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	408999963	UVLSVQYJDYKAEE-WGNYSBQHSA-N	731.443	6.641	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	409000063	DOAUBAAJIBHBGG-DETKUZOUSA-N	617.917	6.523	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OC(C)C	409010455	KOMQZCZGQZRBLO-KIBLKLHPSA-N	697.105	6.354	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	409016725	RNHHOBHUHQPBEQ-GVYNNTECSA-N	575.449	5.919	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(OCc2ccc(Br)cc2)cc1	409020316	NWIOZHWEKQXAQU-OCSSWDANSA-N	583.435	5.699	50	40	KKGB	
N#Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2I)cc1	409031527	HDWPOQMPIXVDDD-MWBNBJEGSA-N	687.335	7.483	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1F	409052059	PUSYHSIBQCKUOE-XODNFHPESA-N	519.798	6.292	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCc1ccccc1Cl	409069661	WSFDZEARDPJXKR-PCLIKHOPSA-N	501.026	7.209	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)cc(I)c1OCc1ccc2ccccc2c1	409081061	JLLCFVSJRDIASN-YKQZZPSBSA-N	564.423	6.115	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cccc(Cl)c1	409088286	WPIYBLBSAFIJFV-RAWMCFOBSA-N	634.614	6.031	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1cccc2ccccc12	409132196	WWLCHUNGAJUNGE-VWLOTQADSA-N	578.406	5.847	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Br)c(C)c3)c(OCC)c2)cc1	409155730	MJGJQCLGUPZPPX-KPGMTVGESA-N	737.389	5.656	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)cc2c1	409187118	MGXYGLMIJAZUAM-FDVSRXAVSA-N	537.956	6.135	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c2)c1	409218535	FRNYGSCYZKVNMY-UHFFFAOYSA-N	527.964	5.584	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1	409219407	QCZNBEOTUCYXNH-UHFFFAOYSA-N	741.389	6.481	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409224284	KRVSCYQCZPOQEA-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)c1ccc(Br)cc1	409224888	LFCDWSOVIMQDHZ-UHFFFAOYSA-N	617.412	5.601	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)c1cccc(C)c1	409225283	MREUSAFKXBKPPX-UHFFFAOYSA-N	552.543	5.147	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409263041	KANYXMUOKLNFCF-JBTQICLWSA-N	540.447	5.783	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409265690	NUVOQNCSNMNYBT-LPYMAVHISA-N	562.464	6.336	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)ccc4OCC(=O)Nc4ccc(Cl)cc4)cc3)cs2)cc1	409267280	UJJBYMLKTKFMTE-QMRORBIVSA-N	630.557	7.950	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OC	409312982	AELAXGDDTJOFPF-PPDIBHTLSA-N	503.338	5.052	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)NC1CCCCC1	409336248	MYTNBQLMCMRBIY-ZDLGFXPLSA-N	656.258	5.529	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(I)c1OCc1ccc(Cl)cc1	409367474	AVVDMEHJZSEBFS-MZJWZYIUSA-N	564.807	5.695	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1	409370962	APAJBTPDCLPUPP-DICXZTSXSA-N	526.387	5.336	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1Cl	409383923	PDPHDGQBXUXQLL-WOJGMQOQSA-N	557.922	8.347	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409385611	MAWMBBIYLDUTBR-XKJRVUDJSA-N	623.312	7.620	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1sc2c(c1C#N)CCCC2	409387937	YTXOWTYDTQQFRU-UVHMKAGCSA-N	503.609	5.793	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(Cl)c(Cl)c1	409388031	ZXEHWMHXYKAKHH-KKMKTNMSSA-N	530.389	6.468	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Br)c2)c(C)c1	409388059	TWKAUAGBGCRISJ-XDHOZWIPSA-N	522.374	5.768	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409391246	IHQNFRUXTUSQJR-IUXPMGMMSA-N	528.823	7.574	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409394706	DWHMZTKARLQDJP-UHFFFAOYSA-N	685.840	8.161	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409394730	FEVSRGYTTPVSHW-UHFFFAOYSA-N	730.638	8.759	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)[nH]c12	409394809	GDLWWUWPAHFBMW-UHFFFAOYSA-N	614.927	8.105	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409394950	HYRJTPPTDHPKIJ-UHFFFAOYSA-N	695.751	7.725	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3)c2c1	409395532	OUJURADGWJUNCP-UHFFFAOYSA-N	737.401	7.377	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)o2)cc1	409400113	BLJBDYPPFZCRHB-HTVDVWKISA-N	712.384	8.587	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)N4CCOCC4)c(Br)c3)o2)cc1	409402249	JKTOUQUHPBYBLW-DLCNMLRHSA-N	669.960	5.684	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Br)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1886553	LBEMJSUKCRCAEH-OCSSWDANSA-N	562.537	6.545	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)COc2c(Br)cc(C(C)(C)CC(C)(C)C)cc2Br)cc1	2765692	YIZUHJDYCIHGGT-UVHMKAGCSA-N	538.324	6.763	50	40	KKGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12	3166929	AIKXVHVCESQPOW-WKULSOCRSA-N	523.814	6.364	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	3664910	NQTZUVDKYKHRLA-HSZRJFAPSA-N	501.652	5.744	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)cc1OCc1ccc(C)cc1	4196410	VLOURUBEFVHSPO-LUOAPIJWSA-N	627.127	6.340	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	8812873	DMBNGNIJSZRBLF-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
Cc1ccc(-c2csc(N3C[C@@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)n2)cc1	9591774	OXDMWHOFRYGEAL-GHTZIAJQSA-N	500.979	5.034	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl	12555892	NCUUICNQJZESET-WOJGMQOQSA-N	512.349	6.425	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C=C\c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	13896452	LZSUDMPUMVBSTN-UISFIODKSA-N	515.639	5.741	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccccc1	16713587	ZGVGONXHBOYIRJ-VFCFBJKWSA-N	510.597	6.342	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2cccc(Cl)c2)cc1	20059148	HWMUCEFKTCTERL-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
COc1ccc(-c2c/c(=N\NC(=O)CCCCCNC(=O)OC(C)(C)C)oc3cc4c(cc23)CCC2(CCCCC2)O4)cc1	60045135	FMKWKGNGNJAPQI-WAQNPYFYSA-N	603.760	7.153	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)c2C)cc1C	100100228	TVHKSKKEMDGRPI-KBVAKVRCSA-N	546.534	7.530	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122280	BWELFABBXXIWRK-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100305899	LROPCABVVLDEPL-FEDGQQDLSA-N	607.189	5.349	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1cccc(Cl)c1Cl)=C(C#N)[C@@H]2c1ccc(Cl)cc1	102084432	QHFKZZFHFVBUIH-QFIPXVFZSA-N	546.907	7.084	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCC(=O)N/N=C\c1ccc(F)cc1	102414419	BZHRSTLRIICMJS-UFMRRADMSA-N	615.493	6.333	50	40	KKGB	
O=C(CSc1cc(Cl)ccc1Cl)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1	103000286	ZADGWUJFJNNCOH-UHFFFAOYSA-N	579.314	5.654	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528906	ZZBMRGBKQQJUNU-REOHCLBHSA-N	541.995	6.481	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	103883166	RGTHVSHCFWNXOS-STZFKDTASA-N	537.403	5.736	50	40	KKGB	
CN(C)c1ccc(CN2CCCN(Cc3ccc(N(C)C)cc3)P2(=O)N(CCCl)CCCl)cc1	104050056	DFJJZZSHIFRIKM-UHFFFAOYSA-N	526.493	5.414	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc12	105508876	RCEKFIUHKZLPEA-RWPZCVJISA-N	534.366	5.862	50	40	KKGB	
C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341145	RMLPULXLJZBQLW-GSVOUGTGSA-N	688.053	8.480	50	40	KKGB	
FC(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341919	RVQKUPGEVJIACQ-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342109	KNRLKKJINXIAAI-UWTATZPHSA-N	692.016	8.387	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	150384357	ZSUMNBONIPHIQO-RQRWGXNHSA-N	680.532	7.336	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1I	150477699	ZYEYGAPUTBVOMG-VZUCSPMQSA-N	623.572	5.402	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C(I)I)CC[C@]4(C)[C@H]3CC[C@@]21C	150544357	JZAGLOUEHFUBBB-YATFVDHGSA-N	680.493	9.136	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc2ccccc2c1	164746370	RWCRDISZPXKOGR-XKZIYDEJSA-N	643.308	8.275	50	40	KKGB	
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[C@@H]2CCC[C@H]2P(c2cccc3ccccc23)c2cccc3ccccc23)c1	261361391	BVCVBGLXUGAVAF-MUTOJJSXSA-N	622.773	10.350	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1	408537810	HIVCSDYLHHYFCC-KOEQRZSOSA-N	557.021	7.581	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2OCC)ccc1OCc1ccccc1	408538107	JDGFFOVMHMQYDL-NOCIIAOISA-N	747.317	10.235	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC	408540761	VQYHYDWPWXCQJL-MWLSYYOVSA-N	529.397	6.980	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)c3ccccc32)c1	408544169	VKHXHSRLQNMPMI-APTWKGOFSA-N	517.585	5.672	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	408544921	WBDRJYBCKFBZEH-NHDPSOOVSA-N	522.351	5.887	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OCc1c(Cl)cccc1Cl	408604341	IFGWKWPTXSTWOG-QGZVFWFLSA-N	514.409	5.386	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	408606214	PFUOUZTVZWWNHD-CXSSSTRGSA-N	593.753	7.354	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	408609769	LJBQUOWDGVPLHE-XKJRVUDJSA-N	510.299	5.680	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1	408637957	OIVPRYGUDWKUHH-ZBLYBZFDSA-N	568.497	7.206	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408642876	FJWSRGSKBSRXNA-AXAFYDDRSA-N	794.236	6.139	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1OCC	408730189	OLYDHMXEVZBDPN-RDRPBHBLSA-N	544.073	5.258	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408745469	MOAAEOSJGSGDCW-MTJSOVHGSA-N	643.706	7.985	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408746023	WOFBKZCFMWQBFQ-BOPFTXTBSA-N	530.191	6.475	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747428	NTWXXOISZHBSEY-NVMNQCDNSA-N	571.656	6.861	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12	408757058	WHWFCPLMRDNRSM-UCQKPKSFSA-N	574.418	6.886	50	40	KKGB	
N#C/C(=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Cl	408762517	BXQNBEYUXHMEHZ-PTNGSMBKSA-N	518.334	5.215	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	408774686	XQPGSWZPHHAOLR-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408788159	ISSQZGBDUOUXAN-FRKPEAEDSA-N	658.636	6.813	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(I)c1	408788964	GTDLLBMSWFAQSO-VCHYOVAHSA-N	546.767	6.517	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408796824	QCXLPFPLUCETEH-FRKPEAEDSA-N	613.666	7.385	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1cccc2ccccc12	408820291	VFLYHCMVGBDVJD-MYYYXRDXSA-N	527.020	6.703	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCc1ccc(Cl)cc1	408828779	VZOKJXPFLGCBSY-GIJQJNRQSA-N	561.849	7.187	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCc1ccc(Cl)cc1Cl	408834062	STRLAVJAZNSBCM-GIJQJNRQSA-N	561.849	7.187	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1cccc(C)c1	408835328	XFWMPORZTUSLPI-WGOQTCKBSA-N	631.954	8.513	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OCc3ccc(F)cc3)cc2)cc1	408835529	XSGNEVWTHUWXRO-PCLIKHOPSA-N	571.446	7.600	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408838144	RUUISSRGVQACHF-QXUDOOCXSA-N	598.725	5.283	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	408838363	VLCIUSWDERBRAV-KEIPNQJHSA-N	598.725	5.229	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)c1	408838377	DXCNNSROTGULFD-QNVXDBMFSA-N	725.846	8.624	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc(C)ccc4c3Cl)cc2)c1	408841211	DBZJHRBQLPBTIN-FABQOPTDSA-N	582.081	7.407	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(C(=O)O)cc1	408848214	QZSXCNPLUCDIND-DBFSUHOCSA-N	663.262	6.240	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2ccccc2o1	408852949	OQAZVGJUFRWHOK-ZRGSRPPYSA-N	620.197	6.051	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1	408862162	CZBWFAADEMFYJJ-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(OC)c1	408866964	HQNBPRRRUIBCFR-RGVLZGJSSA-N	541.829	5.922	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OC	408886662	IADVZZFKIDEGBT-RIYZIHGNSA-N	586.167	5.015	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc(I)c1	408887164	ONOOMMSSYRAFDT-RIYZIHGNSA-N	635.168	6.208	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OCc1ccc(Br)cc1	408889882	KKTMGENJXYXUGZ-ALQBTCKLSA-N	595.578	7.420	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cc(C)cc(C)c3)c(OCC)c2)cc1	408891450	QRRFFIUHAPPJMA-ZVHZXABRSA-N	533.024	6.657	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCc1ccc(C(=O)O)cc1	408904860	PPPFPHNDHJKZTJ-FDVSRXAVSA-N	529.505	5.119	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925279	QWGMMUGOKFQXIM-XZYGTATASA-N	658.217	6.458	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2F)c(I)c1	408939716	BHPBJJQHGNATFC-HHHXNRCGSA-N	781.442	5.657	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)c(OC)c1	408956210	PXILUWJVIDGKNE-QBQWNGAHSA-N	729.968	5.139	50	40	KKGB	
Cc1ccc(OCCOCCOc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Cl)cc1C	408970336	GJAOGUKRAPBLNP-HZHRSRAPSA-N	539.459	6.939	50	40	KKGB	
C[C@H]1CCCCN1c1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N	408977324	WVWTYQYXYHTPIK-XHVIPINXSA-N	550.667	6.056	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c2ccccc2)cc1	408979065	LBPFKMZECOGLJR-NIMQULRPSA-N	622.703	6.195	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc21	409012999	JPEJJYSAKLCSCB-CRQQIFMHSA-N	603.547	5.660	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1cc2cc(Br)cc(I)c2o1	409019493	ZJNRSUSFHHDBFC-ZNLRHDTNSA-N	649.022	7.039	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1cc2cc(Cl)ccc2o1	409019861	ZFBRDEZKBTUSBG-FXMZOFOKSA-N	536.184	6.984	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12	409034022	MYJAFNIIXOFQFE-KVAAJVFYSA-N	605.319	8.314	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccccc1F	409034272	NAOKFMQSHIQZCR-GXBUFBABSA-N	519.576	6.783	50	40	KKGB	
CC(C)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	409043500	REECSVIAOQXFMU-MKMNVTDBSA-N	512.629	6.445	50	40	KKGB	
O=C(COc1ccccc1I)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1	409065961	LDYIZTSQGZMEFF-CFRMEGHHSA-N	522.795	5.625	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(Br)c1OCc1ccc(Cl)cc1	409147132	WIHGQLLNLMHMEZ-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1ccccc1Cl	409187934	VUJGQIIJNUNXDP-LJUMEUDFSA-N	518.997	6.565	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2Cl)cc1	409200982	KTNKKVDHGGMVRW-UVHMKAGCSA-N	502.423	5.562	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)c(OC)c3)c2)c1	409220179	VHSOKZXYYBOLIO-UHFFFAOYSA-N	537.572	5.248	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409225139	OUSSHWNJGWXRBK-KCQYRVLFSA-N	623.578	5.537	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409226999	WWVRBTXASZDZKV-FYJGNVAPSA-N	548.437	6.028	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)c1	409260806	WUDJVEXZHYHRIH-QDTIIGTASA-N	500.382	5.400	50	40	KKGB	
O=C(COc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1)Nc1ccc(Cl)cc1	409264332	DQHXRXFSOMOLSF-KVAAJVFYSA-N	616.530	7.642	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cc(C)ccc2C)cc1	409267283	MZPJZABDBTUPKH-QDTIIGTASA-N	573.285	5.918	50	40	KKGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C2C#N)cc1	409301264	DLZZBGBKEHLZHV-OAHLLOKOSA-N	511.978	5.791	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1OC	409309439	HERQQAHZRHISKM-DICXZTSXSA-N	542.386	5.498	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OCC	409309925	OBENCWZLYIUAPZ-BVMLUPFRSA-N	574.461	5.889	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1OC	409315413	VIICUVPMHNPCDK-NUJZUDFISA-N	594.275	6.491	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OCC	409318103	SYRHFNUZPUAODK-UHBFCERESA-N	531.436	6.532	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)cc1	409394960	ICPKBZAJJBXEPG-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396507	UNYVEIJCRNKKLV-UHFFFAOYSA-N	704.961	7.567	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(C)cc4c3-c3ccccc3Cl)cc2OC)c1	409396935	DDCSVERDOYJOGD-UHFFFAOYSA-N	568.029	6.797	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Br)cc3)o2)cc1	409402251	JLCFGGGXJDZOGM-QMRORBIVSA-N	722.390	8.042	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(Cl)c(Cl)c3)o2)cc1	409407187	YYPNJVHBTZNKOA-HTVDVWKISA-N	667.933	8.477	50	40	KKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)C(O)(O)[C@@H](CCl)C(=O)CCCCCCCCCCCCCCCCC	1570003226	LNXRLEUTDDEXPU-WTCQAPJUSA-N	641.462	11.960	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1Br	705890	RRGXENHXYIFCHE-NRFANRHFSA-N	539.455	5.058	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	934975	MWCRQUKKABOSIE-IDJUBOEBSA-N	502.039	5.434	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1	1188684	LFXIVVCXALGODY-CPNJWEJPSA-N	511.363	5.561	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	6445760	NCAUWHCQRGJPCQ-JCTDHXFVSA-N	515.418	6.985	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)c3ccc(CN(c4cccc(Cl)c4Cl)S(C)(=O)=O)cc3)c(Cl)nc2c1	8686769	FLANXKCBZYCFRD-AMVVHIIESA-N	591.904	5.934	50	40	KKGB	
Cc1ccc(-c2csc(N3C[C@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)n2)cc1	8715715	UBTNIHWAKJACKK-NQIIRXRSSA-N	517.434	5.548	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccc(-n2cccc2)cc1	8741337	HZSCMWRTYWADCU-JWHWKPFMSA-N	512.613	6.402	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1cccc(C(F)(F)F)c1	12604504	FOBAUQWSZLJZHA-CXUHLZMHSA-N	511.853	7.331	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@H]4C)cc3)c2C)cc1	13148133	JKNDLZFLEBYNIB-DHNUWFSLSA-N	530.669	5.425	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc(F)cc1	20195277	QXIURHIWJKSVCG-WKULSOCRSA-N	513.407	5.876	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccccc1Cl	58985832	PGFXULOJXAPVLG-HXUWFJFHSA-N	515.795	5.330	50	40	KKGB	
CCCCCCCCCSC1=C(C#N)[C@H](c2ccc(OCCCC)cc2)C2=C(CC(C)(C)CC2=O)N1	73417482	PNCZCNCQEQECEA-NDEPHWFRSA-N	508.772	8.414	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(I)cc2)cc1	97960718	ICDKEYRAUOWOGK-HKWRFOASSA-N	524.358	5.815	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(C#N)\C(O)=N\c3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)cc1	97968652	ZCEPYPUQTGYJBU-GOHCDNDPSA-N	566.466	6.885	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(n1cccc1)=C(C#N)[C@]21C(=O)Nc2ccccc21	98008064	PHOYDAMJDTVONR-LJAQVGFWSA-N	528.534	6.253	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)o1	100085173	FWIIZEXNVYOCFS-YJVFGCOLSA-N	531.569	5.088	50	40	KKGB	
O=C(N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21)c1ccccc1	100585636	REZBFNKESTUACC-BLCKFSMSSA-N	553.460	5.590	50	40	KKGB	
COc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1	100848673	DHJDHNVEPNKHMY-OAUYIBNBSA-N	510.064	5.320	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	102810132	XAQRTNSJDMUMNB-SANMLTNESA-N	617.480	7.719	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)cc1	103889392	QMWGIIITAKNITE-MFOYZWKCSA-N	595.118	7.952	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	103890970	KFATXVBXNWRGRQ-STZFKDTASA-N	552.414	7.153	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)ccc1OCc1ccc(Cl)cc1Cl	105652113	LIKCSGRFHNYWSH-IURWMYGYSA-N	557.434	5.222	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	112258744	SOQQJQKPWGSWHL-RQZCQDPDSA-N	587.326	7.693	50	40	KKGB	
CC[C@@H](C(C)C)[C@@H](Br)[C@H](Br)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	118933441	WPYNWAGYMPPHHC-PIYPVQCOSA-N	614.547	9.342	50	40	KKGB	
CC[C@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1	150390731	IUIQQIGYMOYIRI-BKWZTHLVSA-N	636.572	6.217	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12	170621499	KQIHYMLPAWUVKD-SMEQTMGHSA-N	503.605	7.054	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)c(C#N)c1C	408546130	DGZNELXTXDEGOY-VXLYETTFSA-N	567.436	6.304	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc(Br)ccc2OC(C)C)c(C#N)c1C	408546691	MVZLFNULRIXXFP-PXNMLYILSA-N	501.402	5.373	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408555572	YAGACDCYLABTFW-YBEGLDIGSA-N	575.246	6.328	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1	408608219	VLIIMAKGKVAWDP-JJIBRWJFSA-N	544.611	7.062	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408646894	JBDMFFHYXPQUIC-UDZALUMHSA-N	759.791	5.485	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)O[C@H](C(=O)c3ccccc3)[C@H](Br)c3cccc([N+](=O)[O-])c3)c2)c1	408671776	LEJFTVJDDDNHQZ-IAPPQJPRSA-N	587.426	6.700	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccccc1C#N	408677134	PPOTXBOMSWIJIO-FDAWAROLSA-N	594.453	5.505	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1ccc(N2CCCC2)cc1	408677551	RRZNJXYTZINXJR-KCSSXMTESA-N	701.346	6.992	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408680340	GDGYSOSTLLAJKP-WCVJEAGWSA-N	623.556	6.126	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1cccc(C#N)c1	408710627	SEJGQYKBGFQMFH-WKULSOCRSA-N	538.398	5.080	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c1	408742828	SVYNTNKNYIEJIJ-VXLYETTFSA-N	590.301	7.678	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccccc3F)cc2Br)ccc1I	408746203	CEQDPCVJFATSMO-KKMKTNMSSA-N	613.221	5.553	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408747982	WOANFFGVSLWQEV-SXGWCWSVSA-N	628.091	7.485	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(C)cc1	408748103	YKDWOFPAXYTKTP-ODLFYWEKSA-N	556.254	6.653	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408772331	KRNYZBZERRSSHQ-RZNTYIFUSA-N	547.074	6.529	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408778936	NEDIOUVQLMFVAZ-FDAWAROLSA-N	568.017	5.802	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1cccc(C)c1	408788582	LIJYJYILFBUOTL-WGOQTCKBSA-N	583.482	7.470	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408791575	YXVUDFIJZFUCJR-KEBDBYFISA-N	678.151	8.638	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408792841	LRWBSVSNOMFTLL-CXUHLZMHSA-N	667.197	5.634	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408796872	ZJTCTZCNPTZHIZ-OEAKJJBVSA-N	730.315	7.739	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccccc1F	408819210	ZUXOUZAOTKGRQX-PXNMLYILSA-N	530.737	6.274	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408834102	VBRWVOJPPIOBOV-BUVRLJJBSA-N	607.921	8.749	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408834181	TZAAOBVKWWHMTC-JJIBRWJFSA-N	618.325	7.915	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408835810	YLIWTYBFJOHGDM-OQKWZONESA-N	527.418	7.126	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408847185	MDTKBAMKXAZIIN-OJYCWLPVSA-N	686.506	7.317	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408848221	UUJBALILPYITRM-IQRALLOGSA-N	613.424	5.992	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cccc(Cl)c2C)cc1	408861330	QNMRDRLRHPKHHS-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OCc1ccc(Cl)cc1	408887720	QOFOVHVYLSHDLT-LZYBPNLTSA-N	613.666	7.385	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1cccc2ccccc12	408893651	GKJBCCMNVYWHIY-NCELDCMTSA-N	512.565	7.157	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1	408897590	YRVSZPIKBMWIOG-RQZCQDPDSA-N	546.794	7.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408898244	WABCVBMHFULRDE-SFQUDFHCSA-N	608.841	5.657	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408903861	AMQKXYKKILFAPP-BCHBDCPOSA-N	685.187	6.032	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)c(F)c1	408967705	RVDZLPILYXVIPK-XAZZYMPDSA-N	675.239	6.403	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	408989983	VWSYQISDAWLVFQ-LGUFXXKBSA-N	559.025	8.227	50	40	KKGB	
O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cc2cc(Cl)ccc2o1	409024727	VQHRGOHHKIWDGJ-NVJOKUIPSA-N	503.820	6.569	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)c1C	409043375	QLTQNYLGIKWJME-VXLYETTFSA-N	558.245	7.092	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409046939	SNBSFJTYIWOIQY-LQKURTRISA-N	533.451	6.645	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)cc1[N+](=O)[O-]	409048899	XRERBCXNCAMRSN-MNBJERMJSA-N	503.562	6.290	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)O)cc2)cc1	409067320	CLNNTNFSSVZZIG-VXLYETTFSA-N	525.344	5.603	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	409114435	HHSBDFJRHXUKAQ-IPPBACCNSA-N	584.909	5.395	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409122102	ZCVDNSSLSMHIOF-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(Br)c1OCc1ccc(Cl)cc1Cl	409149788	QVYDUFQULUBDLA-XODNFHPESA-N	552.252	6.506	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1	409155745	MLNDWQXHMGWISU-FABQOPTDSA-N	623.548	5.318	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)o1	409157830	WNXTXOQZHOFQDG-AJSHSEQYSA-N	531.396	5.765	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	409183190	SLYDPFIHZBBQNS-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccc5ccccc5c4)cc3Br)cc2c1	409186921	JOKGIYHQEPPKEZ-KYHGBAKBSA-N	573.443	7.099	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br	409192515	YGHQAAFEHNFRCC-KKMKTNMSSA-N	503.183	5.970	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)c1	409217961	GIMAPQOFKVDWJT-JPMMUQAJSA-N	562.025	5.315	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1ccccc1O	409218449	FHHILTXDJHEWMC-WTYJXDNXSA-N	592.449	5.121	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c2)cc(OC)c1OC	409219487	RBBZAXKCEFKSNU-UHFFFAOYSA-N	622.428	5.303	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)NCCCc1ccccc1	409254228	WHTHIZMESPXCIB-BKUYFWCQSA-N	666.272	6.270	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Br)c1	409261742	DECIJNKMXDHTJC-ZRGSRPPYSA-N	590.228	5.210	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)cc1OC	409310117	QOUAKTRGEXBFRD-MBTHVWNTSA-N	640.350	5.849	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1OC	409322320	JWKGMVCWQYEJIE-RGXNXFOYSA-N	512.606	6.379	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409325478	YZARBIAQUAQGTC-MBTHVWNTSA-N	664.409	5.860	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1	409389420	YUORGBLITKLMGA-QJOVZPHJSA-N	635.746	7.051	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)cc1	409396584	ZEHFBELYTXSKOD-UHFFFAOYSA-N	596.481	7.206	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409396799	BIOPALVCVQJAON-UHFFFAOYSA-N	598.011	6.217	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397456	KBYFGKNFKIQKKB-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409398290	SFNKNSDMWFNFFV-UHFFFAOYSA-N	647.323	7.352	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1F	409400031	BBISPQADFUTIEF-KOKCXWAISA-N	669.666	6.494	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)Nc1ccc(Cl)cc1	409401501	HGBYWRBHAFWQBP-AEVGBRMKSA-N	705.993	7.472	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4cccc(Cl)c4)o3)o2)cc1	409406267	BFEAIVZFEWUCMN-LJUMEUDFSA-N	513.981	6.943	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccco1	1246929	GKYXPXJYLMYYEM-VWLOTQADSA-N	535.025	5.648	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1	1790488	DVXZWAZNHXJXBL-GFPZRUSRSA-N	542.875	6.389	50	40	KKGB	
O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccc(OCc2cccc(Br)c2)cc1	2186770	MAOYXHHZQZMSAK-UVHMKAGCSA-N	527.216	6.036	50	40	KKGB	
CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)cc2)cc1	3259070	GVSLWSSJJIQTOK-FMFFXOCNSA-N	534.685	7.241	50	40	KKGB	
CC1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@H]1[C@@H](Cl)[C@@]1(Cl)C(=O)N(c2ccc(Cl)cc2Cl)N=C1C	4266354	LKVYETOLTJCHBV-DBXWQHBBSA-N	567.087	6.647	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](C(=O)N/N=c1/oc2cc3c(cc2c2c1CCCC2)CCC(C)(C)O3)c1ccccc1	9420981	PEHATRULOWWSAE-MRCBMWAESA-N	531.653	5.613	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N1CCOCC1	16701283	ATYKZBXFRZJFHI-HKOYGPOVSA-N	508.553	5.023	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	20028740	WSAOWYCVAZWTKD-NDEPHWFRSA-N	508.647	6.010	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	59410660	XOSAJSRNYKAVML-WYMPLXKRSA-N	516.919	5.200	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(C)cc1	59474932	SKUKWKAWTZLNMN-UUYOSTAYSA-N	505.412	6.508	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	97965787	DNPLOBJLOZDIHE-ZGLHNQSKSA-N	564.466	5.263	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1Cl	97966030	IIZMYCJRIMQBEF-KNBZMSCYSA-N	642.277	5.867	50	40	KKGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)c1CNc1ccccc1	97966670	IWBKTPZPIAEJHE-DPWJMMOYSA-N	612.865	5.148	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1Br	100047262	VYZFBTMLDZVKFL-ALQBTCKLSA-N	600.469	5.075	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1	100139458	IQZUWLZGUPTCDT-KYHGBAKBSA-N	593.105	5.338	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1OC	100304758	NROJHHGYEJZXDP-ZXSNDDASSA-N	602.757	5.112	50	40	KKGB	
CCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	100548187	OJPWKHHDOHXTPS-ZDNVTZCJSA-N	571.350	6.411	50	40	KKGB	
CC(C)(C)c1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc(C(C)(C)C)c1O	100858329	DTRVRCAMKSRZIZ-DLCNMLRHSA-N	610.611	7.784	50	40	KKGB	
O=C(COc1ccc(Nc2ccccc2)cc1)NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1	102995224	YYOXYCTZBDFVAL-UHFFFAOYSA-N	578.650	5.132	50	40	KKGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	103889538	YHMRVNQXHBNEPK-YHYXMXQVSA-N	551.993	5.915	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)ccc1OCc1cccc(Cl)c1	103894862	QYNZREHSYDMUTJ-FMFFXOCNSA-N	592.117	6.048	50	40	KKGB	
Oc1c(Cl)c(Cl)c(O[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1Cl	104183440	JYQJXRYOYAKVAI-UHFFFAOYSA-N	510.184	7.026	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\NC(=O)Cc5c[nH]c6ccccc56)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)c1ccccc1	118923062	CEUHHNMGEVILPT-ITTDXDKQSA-N	563.742	7.371	50	40	KKGB	
CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341294	ARVPOVRKBXQPNT-ZETCQYMHSA-N	744.161	10.040	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	164587735	CXBRZQZWSUWKRV-KVSWJAHQSA-N	695.122	6.944	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)oc12	208247420	DXGAHUKRMNGYOY-NSCUCBQXSA-N	518.839	6.343	50	40	KKGB	
CC1=C(C[Si](C)(C)C)C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2C(=O)N(C(=O)c3ccccc3)[C@@H](Cc3ccccc3)[C@@H]12	263593493	BHVMHEAMWPWEGB-KWBMWPQYSA-N	575.942	8.209	50	40	KKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408539483	WOMKJMPQGUROBI-APTWKGOFSA-N	577.150	8.247	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408539758	YPTAULUDRXMHLP-OHUYPAJKSA-N	670.471	9.110	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)cc1Cl	408542120	HFECPASZPLXCJG-GRSHGNNSSA-N	511.361	6.215	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408555444	XMGRMAXEFARFDF-MNDYBZJGSA-N	532.855	6.771	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc(Cl)cc1	408568690	WCLPBDAERHOPTP-KBVAKVRCSA-N	604.916	6.913	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408581551	XVNIDKSOWBOBNS-KEBDBYFISA-N	572.830	6.652	50	40	KKGB	
O=C(NNc1cccc(OCc2c(Cl)cccc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408606358	LQHHALPGGBXINS-OAHLLOKOSA-N	504.801	5.722	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1Cl	408611674	RORCAAGQIIVFPP-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408641983	LTORVYXDYMGIOJ-LUKWVAJMSA-N	816.124	7.137	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(I)cc1	408711626	BYDZJLDHDPSDIO-JFLMPSFJSA-N	551.340	5.696	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408724979	FRQVNYMLELKWFZ-GRSHGNNSSA-N	607.275	7.294	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408726873	WCDLHYRIZUISQT-ODLFYWEKSA-N	569.355	5.641	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408751014	VJWBRVLRRNBHIZ-YKQZZPSBSA-N	607.404	5.165	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OC(C)=O	408758112	GSPWNXWKPHUCKS-WKULSOCRSA-N	594.490	5.609	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)C(C)C)cc1	408765697	XGPVCSXDHLQEBP-HQYUJTHISA-N	637.394	5.552	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccc(SC)cc2)cc1	408772000	JOCVOEIUOWBVKO-RDRPBHBLSA-N	549.674	5.012	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I	408788156	BMVJSSXKDOUQHO-CXUHLZMHSA-N	584.195	5.623	50	40	KKGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408788529	KTVNETIKZINGDW-KGENOOAVSA-N	517.379	5.594	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(I)cc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408790101	NPXQBMQWLRYBQW-LTGZKZEYSA-N	546.364	6.676	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408812318	SEYFXZYHSRDALL-HYARGMPZSA-N	512.993	6.944	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCc1ccc(Cl)cc1	408822491	AXWSRUCJRURTCN-YBFXNURJSA-N	527.404	6.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408827949	MZIHDDVILUVGTD-MTDXEUNCSA-N	682.014	9.667	50	40	KKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408836336	QCHRXSHJSRLEGS-DEDYPNTBSA-N	511.405	6.915	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC	408841402	GSMDYQXHRNMDNW-WUJNNNQWSA-N	658.505	6.110	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c1	408843663	RPKPXCIEKNMFIU-HIWRWHBISA-N	603.464	7.248	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc2ccccc12	408848539	QYSJCDGPXVGTNE-ZMGVVAQMSA-N	622.313	7.853	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2ccccc2o1	408851225	WOLDQKAUWFRJAW-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1Cc1cc(C)cc(C)c1	408874722	FTXSMKFVJFMXJY-YDZHTSKRSA-N	547.449	6.388	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	408879009	CFDYCPQAYMFDSE-RQZCQDPDSA-N	641.261	7.591	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408882535	OWMFKPBPGHJKLP-ZHDAQUIUSA-N	749.796	5.432	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)c1ccc(Cl)c(Cl)c1	408883180	RVGKNBRRWAQCRR-IPPBACCNSA-N	542.216	6.892	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Cc1cccc(F)c1	408883494	RFWZALQFMBKJOW-VXLYETTFSA-N	526.349	5.884	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1c(C)ccc2ccccc12	408884981	WKLANOSCXUUHKE-FYJGNVAPSA-N	500.957	7.074	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)c(Br)c1	408888147	XGXXDPILTRZCOR-XSFVSMFZSA-N	590.271	7.438	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccc(Br)cc1	408890873	HSSZNHAXQJHZGG-ALQBTCKLSA-N	595.578	7.420	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OC(=O)c1ccccc1	408895594	NLIUHXOHLOHKBP-KGENOOAVSA-N	574.374	6.218	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(Br)ccc3OC)cc2Cl)cc1	408896605	SJLABAAQINMBNX-LGJNPRDNSA-N	517.763	5.103	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c([N+](=O)[O-])c1	408899827	QXSXZOCJTKXYHR-RQZCQDPDSA-N	572.799	6.153	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)ccc1Br	408907879	PTZXFLATZAPTIY-RAWMCFOBSA-N	641.114	6.925	50	40	KKGB	
Cc1ccc(Sc2oc(/C=N\NC(=O)CSc3nc4ccccc4s3)cc2Br)cc1	408910041	IVJCXQQDWPEYPX-KSEXSDGBSA-N	518.483	6.354	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c1OCc1ccc(Cl)cc1Cl	408922634	FPTBDDFGVUIHOC-KKMKTNMSSA-N	516.406	5.965	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(C(=O)OCC)cc1	408940423	CJEDTIQIKQARND-SSEXGKCCSA-N	739.645	5.098	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)c(OC)c1	408953571	MDKXOXAXYHEISZ-MWKDUONYSA-N	685.959	5.410	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408956394	WMEGTXMPGINWNV-OCKHKDLRSA-N	603.731	7.735	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408969730	SNHHNLDPTOVQLS-IMROZSLASA-N	640.995	7.828	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OCC)cc1	408972903	WWEDCYFYGQRJIR-XTCLZLMSSA-N	528.649	7.048	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)c2ccccc2)cc1	408976496	BAGVUIIFVPUMRE-VADXBNPNSA-N	596.797	7.010	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2I)c1	408981685	CKRZXFREKNWKCV-GRSHGNNSSA-N	621.700	7.449	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1	408984098	PRAVUIJGVICVCI-WQRHYEAKSA-N	563.222	7.031	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(I)c1	408985462	WXRPJBKTJFTYPB-WQRHYEAKSA-N	563.222	7.031	50	40	KKGB	
O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	408995957	FZVMCTYCWRSRBM-KPGMTVGESA-N	611.279	6.991	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	408999410	CQWQQGGZDHWQAB-NSEXZMKTSA-N	797.307	6.435	50	40	KKGB	
CC[C@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409014167	FZSZUJGOQBZCJA-DLDHGHKKSA-N	650.105	6.512	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc(F)cc1	409033279	KQEUEJMUPGPZAL-DPNNOFEESA-N	552.631	7.044	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(C)cc1	409039998	SAKBSBKAYVUIDG-OJYCWLPVSA-N	550.058	7.605	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4cc(Cl)ccc4C)C(=O)[C@@H]23)o1	409043197	YCBNVFIJEQAVIP-VPGWSJPTSA-N	550.014	5.516	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccc(F)cc1	409097660	NDHSJDOAEXYWJK-DEOSSOPVSA-N	586.357	5.355	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(C#N)cc1	409149655	MHCWXJFMBNSTSH-SSDVNMTOSA-N	516.395	6.071	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409154437	OKPKSBSFNIVEIY-XKJRVUDJSA-N	608.276	5.179	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3C)c(OCC)c2)cc1	409167565	JENKTBXSWIEMBS-KPGMTVGESA-N	645.938	5.705	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCC(=O)Nc4ccc(F)cc4)cc3Br)cc2c1	409187058	LLXYQZXNYZNOAE-CPDSRJINSA-N	584.398	5.523	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409202325	PSLYKCPZXWNOTA-MFOYZWKCSA-N	551.167	7.149	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	409203222	WQJMXSVQIYHSAX-PPDIBHTLSA-N	601.293	6.428	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409217712	AFAROCNACRFIBX-PEGPKSNNSA-N	612.436	5.813	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1	409219355	LOGQBBBMDKAEAM-UHFFFAOYSA-N	562.409	6.237	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409227529	ZDPOIGGZUVOWGD-XDHOZWIPSA-N	552.400	5.859	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409230270	BRIPJLIDQKYTDD-IWIPYMOSSA-N	518.997	5.672	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2I)cc1	409236176	DSOGUQRGJWRIGG-ODLFYWEKSA-N	562.329	6.743	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OC)c1OCc1ccc(Br)cc1	409237475	IWYPBIMJXKYWLP-CCVNUDIWSA-N	555.498	5.414	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409257658	TZAVSQVPBAQHFF-FRKGHFGRSA-N	780.088	8.609	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409260747	VRMQHBWLUMNAJZ-QDTIIGTASA-N	500.382	5.400	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OCC	409303104	LLUKEOCNZBYQDI-BVMLUPFRSA-N	665.912	5.840	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)ccc1OCc1ccccc1	409315816	WGOUSWRPQOCRCS-KMUKQRDJSA-N	637.958	7.822	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1OC	409319767	LLYHQPOFIVDDKB-PPDIBHTLSA-N	566.221	5.711	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409379275	WLRADYJHSAYZSM-LDADJPATSA-N	568.399	5.559	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(Cl)c2)ccc1OCc1ccccc1	409384615	DDCFBCMTVOYECX-FZKWRIDDSA-N	588.060	6.108	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	409385245	IFTMNEKUCYHLMC-LGJNPRDNSA-N	523.269	5.163	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(OC)c(OCC(=O)Nc4ccccc4)cc3Br)[nH]c2c1	409393730	ZOCJEQGROOMLQQ-YVLHZVERSA-N	533.382	5.424	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)cc1	409395181	KSDZLBWYNUMPMR-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)c1	409395881	STVVUJKGTQBYRE-UHFFFAOYSA-N	693.823	8.922	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccccc1	409396067	VXGLLOYCTGAITD-UHFFFAOYSA-N	590.836	7.373	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409396746	AQUWYRCSBLUCPL-UHFFFAOYSA-N	553.618	7.288	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409397595	LPPLFPSJKNNMDB-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397596	LPYPMLKGTZUBLF-UHFFFAOYSA-N	555.993	6.928	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)o2)cc1	409403010	LQHMCAWUQAKNJH-QMRORBIVSA-N	661.484	7.419	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1Oc1ccc([N+](=O)[O-])cn1	409404346	PYEGWGJQLZCQSO-HQDYHJHZSA-N	595.612	6.524	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)Nc1ccccc1C	409405264	SMFZKKBTMLBCMY-KWQVAVEISA-N	699.602	7.517	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)c(Br)c1	1529547937	RVTNPKFXLNCEQW-DGJBIAEHSA-N	651.583	5.222	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(OCC)c1	1529548514	IBWNYMKGUUCKAM-IZQZZFRNSA-N	746.599	5.293	50	40	KKGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1	2561857	MRPFNVWNOPNHNG-UDWIEESQSA-N	558.412	6.643	50	40	KKGB	
C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c2C(N)=O)C1	2670704	YODBPXHCYZMGAW-OQZOHAQUSA-N	510.959	5.339	50	40	KKGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1	2743773	GXXQXZMFSHICTI-NRFANRHFSA-N	503.780	5.326	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccccc2)cc1	3142978	BCGHVGLRCKRUER-MWAVMZGNSA-N	529.618	5.223	50	40	KKGB	
N#CC(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)=C1Nc2ccccc2N1	3460072	SPSHVPQFOQWYCR-NTCAYCPXSA-N	505.509	5.077	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CC(C)(C)C3)cc1	3666085	RCINIFWQEMQXFF-SANMLTNESA-N	512.679	6.228	50	40	KKGB	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Br)cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6194053	JIMUSIJZSKRZJA-UHMZFBJVSA-N	574.884	7.613	50	40	KKGB	
O=C(CSc1cccc2ccccc12)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	8874951	SBCXAZWUHVRCMU-KCSSXMTESA-N	511.046	7.468	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	9203274	UEPWRQOXMGSNQS-XODNFHPESA-N	515.238	6.452	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]12	12618606	QQPIYUDJYPYGNB-YFRBGRBWSA-N	503.605	7.180	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OC(=O)c1ccc(Cl)cc1	16196079	PQFHIJJZAMDFPF-UYRXBGFRSA-N	516.966	5.736	50	40	KKGB	
O=C(N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccc(Cl)cc1	20522371	JZDWVJFFIHELEB-BLCKFSMSSA-N	509.009	5.481	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(Cl)c1	59117327	CXEKWMDIECJZTM-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccccc1Cl	59333298	MHIYMJOYKGKFCU-XHPQRKPJSA-N	528.052	5.912	50	40	KKGB	
COC(=O)c1c(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Br)cc2Cl)sc(C)c1-c1ccccc1	97948588	VQTGGEHCKYIDIK-GFCCVEGCSA-N	582.929	5.711	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc(O)c(Br)cc1Br	97961027	USPGSNPORKNLQK-IGCPIRJNSA-N	664.768	5.734	50	40	KKGB	
Cc1c2c(c(C)n1-c1ccc(I)cc1)P(=O)(O)c1c(c(C)n(-c3ccc(I)cc3)c1C)C2(C)C	97983516	SYBWTESKEAFGIA-UHFFFAOYSA-N	696.307	6.571	50	40	KKGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	98008051	OVQJTKHXVBXBPT-JGCGQSQUSA-N	533.031	5.915	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)c2C)c1	100119841	ALTVYTDGOGJTMA-BIZUNTBRSA-N	542.705	5.750	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	100127489	YCJCNGIMEZYJDJ-OCSSWDANSA-N	583.483	5.341	50	40	KKGB	
CCn1cc(C(=O)N/N=C(/Cc2ccc3ccccc3c2)C(F)(F)F)c(=O)c2cc(F)c(N3CCCC3)cc21	100202859	OCFQINOKZUGPKX-CLIDGEQKSA-N	538.545	5.805	50	40	KKGB	
Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1	100990576	URDLUQJZRJBVKR-FYAMCCBRSA-N	532.463	5.500	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	101305023	GYILJXUCGTZZOQ-SANMLTNESA-N	544.076	6.417	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccccc1F	102719481	HVXFJOQIFPAHBS-MUUNZHRXSA-N	542.636	5.219	50	40	KKGB	
CC[C@@H](Cl)COP(=O)(OC[C@H](Cl)CC)[C@H](C)O[P@](=O)(C[C@H](Cl)CC)OC[C@H](Cl)CC	104161183	UPLZNVXNBIYZMG-CTYRJXNSSA-N	552.240	7.855	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	150366078	BKRCMVFLMUIYAH-KVAAJVFYSA-N	732.009	6.261	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)o2)cc1	150386702	QAZYYQZUHHROPH-IDWIKUEFSA-N	657.148	6.514	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1I	150425776	AWZDSVYANBNHFJ-RIYZIHGNSA-N	641.272	5.818	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	163738543	JFKOQFTXZZOFLF-XICOUIIWSA-N	639.561	6.380	50	40	KKGB	
CCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1)OO	299817254	PJEDIANARLMFBK-BKBJUNSMSA-N	681.099	13.221	50	40	KKGB	in-vitro
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OCC)c3)cc2)ccc1OCc1ccccc1	408540547	TWOXURJGEHJERQ-QNHWSJEBSA-N	630.741	7.985	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c(C(=O)OCC)c1C	408545953	AKXUTPMIWOAFIS-LDADJPATSA-N	521.547	5.087	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1ccc2ccccc2c1	408549293	SCWVAEZWPBUXOW-JJFYIABZSA-N	556.230	8.394	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408550837	HOEJLQKBFXMISK-MFOYZWKCSA-N	680.282	5.956	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccccc1C#N	408568869	LIYKHSPHRHLNCL-WCMJOSRZSA-N	612.571	6.306	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408569215	ZMOGXWBFPDFJPD-UUASQNMZSA-N	545.181	7.009	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O	408650123	ZMZYRBINVXPTAO-OAQYLSRUSA-N	515.780	5.527	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408676536	KHCKOPIZNGRQAG-FDAWAROLSA-N	579.495	5.538	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccc(C)cc1	408725581	MFRFRSHELXIUNA-BKUYFWCQSA-N	568.411	6.132	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408727063	XXUKLLFUSSTEEX-JAIQZWGSSA-N	536.382	6.107	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)c1	408744261	JXBCLFGFKWUMRP-UQQQWYQISA-N	540.461	7.290	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408744915	ICRASXQYGKZPOT-SXGWCWSVSA-N	502.741	6.680	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCc1ccccc1	408749020	JZDBEYCOOQXDMD-VULFUBBASA-N	579.232	5.795	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC	408793389	FCPXLCQEQINOAS-VGOFMYFVSA-N	542.213	5.642	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1cccc(F)c1	408797039	QSXYKDWIOCAYAH-VCHYOVAHSA-N	576.793	6.607	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1	408803677	RZCHLQMPJVHCCM-XSFVSMFZSA-N	503.385	7.280	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OCc3ccc(C)cc3)cc2)cc1	408823375	FGGZWKTVIAPFLA-WPWMEQJKSA-N	523.032	7.661	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OCc2ccc([N+](=O)[O-])cc2)c1	408824998	IPJYHUKJYRDCMJ-OEAKJJBVSA-N	604.446	7.614	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(Br)cc1	408834783	LWFACAAMHUNRLX-OEAKJJBVSA-N	638.345	8.468	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc(C)cc1	408835293	YGULFUYBOUKYMX-ZMOGYAJESA-N	699.372	8.619	50	40	KKGB	
O=C(N/N=C/c1cccs1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408839405	RQMBMJUZASEPKU-BHGWPJFGSA-N	518.845	6.395	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)cc2)cc1	408839660	VFWIEMAEQDUDFI-VTNSRFBWSA-N	590.861	6.646	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc(Cl)c(Cl)c5)c(Br)c4)cc3)cs2)cc1	408841239	DQQLLHQNWFKCCB-IRWBXMRWSA-N	745.324	10.037	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	408847785	UQDMYRRTFJQZJW-ZCTHSVRISA-N	511.965	5.504	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc2ccccc2c1	408848670	XQXLOQNOKUOJKF-ODQASSKESA-N	669.523	8.102	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl	408854941	KXDMKNLQWQAZKZ-ACXHZZMFSA-N	536.415	6.075	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408855915	AAJGBHJIDHLKFY-XZYGTATASA-N	733.106	7.156	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccccc1	408858051	ISJSCUFULCYCMA-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12	408866522	HBHUBFRXFNSALP-DCKAADKSSA-N	529.640	5.166	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl	408868802	BKJJNMQVSGUKQG-LGJNPRDNSA-N	579.778	5.133	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408875694	LHHQOLHYZYGESH-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1	408886052	HMCVMPWLUMCMKX-RQZCQDPDSA-N	589.773	5.986	50	40	KKGB	
Cc1ccc(Sc2oc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2Br)cc1	408914400	XTUCCDRAWVQMEV-PDGQHHTCSA-N	506.425	6.249	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccc(Cl)cc1	408964258	CMJVFBYLXIGCGO-NVJOKUIPSA-N	563.754	5.307	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12	408969659	RQILZSUOGBYRMX-IMMRMKOISA-N	564.469	5.800	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1	408980686	SHKOPHVWLPVGDN-WZGOHGCSSA-N	521.617	5.676	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1Cl	408981300	ADPQGOGBKSUMGG-YBFXNURJSA-N	515.824	7.479	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccccc1	408997847	OIBRFAWLUHXQBB-BIZUNTBRSA-N	586.442	6.083	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1	408998619	RMOOMNMRVBPBKG-FDAWAROLSA-N	572.415	5.693	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	409001185	VFUQOTJBMPVTJM-WSVATBPTSA-N	700.274	6.182	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(C)cc2)cc1	409006352	NGJMEQZJYDVIKM-XDDGPJTFSA-N	518.569	5.905	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1	409014063	LXJGUALFJXQGJF-GFKQAPOESA-N	645.562	7.089	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1C	409019340	YULOTSHBVBQGDS-MNBJERMJSA-N	511.578	5.094	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccccc1Cl	409083742	VWTDKHDPVFZKNK-NTUHNPAUSA-N	645.613	8.130	50	40	KKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	409109766	KWYXOXBIALTZLB-RPPGKUMJSA-N	504.395	5.864	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F	409134298	NSWJJDGBTSZIHQ-HHHXNRCGSA-N	519.617	5.186	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1OCc1ccccc1	409185868	RTDHFWQDUKFIIK-RUMWWMSVSA-N	573.671	5.373	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(I)cc4)c(OCC)c3)cc2c1	409187203	NIRDAZYJJYHTGH-MNDYBZJGSA-N	710.306	6.782	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(I)cc4)c(OCC)c3)cc2c1	409189086	IFHVKSRVCTZEBN-MWLSYYOVSA-N	584.410	6.178	50	40	KKGB	
O=C(Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1	409225310	OEOZBXYVVAGDIG-FXMZOFOKSA-N	526.254	5.904	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)c1	409227052	XFSFXZLKQDLELS-MWHJJWBVSA-N	722.346	6.763	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccccc4OCC(=O)Nc4ccccc4)cc3)cs2)cc1	409261603	FBUDKBLIIKIQIU-APTWKGOFSA-N	561.667	6.644	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc(Cl)cc1	409341120	CTJWMRKRTPPFIE-MFOYZWKCSA-N	632.066	7.846	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409368220	PXIPVAHZNUWYIO-MNBJERMJSA-N	519.711	5.559	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc2ccccc2c1	409372003	DDJXNAYLOMCRFB-FMFFXOCNSA-N	504.586	6.743	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409375081	FGVGHCJMTWGUMM-WQRHYEAKSA-N	538.373	5.468	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384913	GBNRDFFNNBLXAI-LUOAPIJWSA-N	534.808	7.113	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409384930	GNRZFUINEDNLSX-IPPBACCNSA-N	567.023	5.951	50	40	KKGB	
O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2Cl)c1	409385510	LADRUJXCHBVJSW-RPPGKUMJSA-N	509.927	5.504	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)cc1	409395055	JHRBZOYGHCEVDW-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409396038	VPTIHSUTPDLAIT-UHFFFAOYSA-N	719.739	9.015	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccco1	409396270	XKEIIQGNSDJDES-UHFFFAOYSA-N	676.148	8.243	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409396856	CAIIDJWANLNRDJ-UHFFFAOYSA-N	739.950	7.110	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397271	IDGXDZYJJBNJAD-UHFFFAOYSA-N	658.107	6.905	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409398226	RUPLMIRIVSLGBD-UHFFFAOYSA-N	545.492	6.976	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1Cl	409402633	KIOUBSYRTGZJBH-UHFFFAOYSA-N	662.968	8.034	50	40	KKGB	
CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)s1	2188874	JAOLWVODKCRDMS-DEOSSOPVSA-N	502.709	6.552	50	40	KKGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(Cl)cc2)c1O	2280217	QHOHUJTWHUUFCQ-MUFRIFMGSA-N	534.041	5.273	50	40	KKGB	
CCOc1ccccc1NC(=S)NNC(=O)c1cccc(COc2ccccc2Br)c1	2795306	YXWGFACTRNEHIM-UHFFFAOYSA-N	500.418	5.058	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(I)cc1)c1ccccc1Br	3084667	BMNWGSJGVKUUTH-ZMOGYAJESA-N	548.178	5.070	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Br)cc1	3177660	ASBKZEKHHBMDDQ-RUZDIDTESA-N	526.392	5.440	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	6074177	VXGPQPGYHSWFFF-GGJIVPGBSA-N	513.446	7.489	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C\c2ccccc2OCc2cccc(Br)c2)n1-c1ccccc1	8396449	PNBIOBMWKLHOQV-GFBGCUTDSA-N	690.067	7.814	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc(Cl)cc1)=N/NC(=O)c1cc(Cl)ccc1O	8665767	HVQNQLQFOVNERJ-WRPYJIPYSA-N	548.434	6.517	50	40	KKGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)c(OC)c1	9693544	PBVZINDQIQYKNO-DEOSSOPVSA-N	513.619	5.502	50	40	KKGB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NNC(=O)C(c3ccccc3)c3ccccc3)C2=O)cc1	20288048	OIBCBPUPTZBUGE-SLMZUGIISA-N	516.601	5.173	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc([C@H](C)CC)cc2)ccc1OC(=O)c1ccccc1Cl	30822043	YUYXQMQXPAKIHM-SKSPEIEWSA-N	509.002	6.001	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccccc1F	59336519	OKSGUMFMAKJEQP-MOSHPQCFSA-N	511.380	6.994	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)cc(Br)c3O)nnc2-c2ccccc2)cc1	97939502	ZIEYWOXGFQBPLM-UVHMKAGCSA-N	617.323	5.416	50	40	KKGB	
CCCCc1ccc(C[C@@H]2S/C(=C(C#N)\C(O)=N\c3ccc(Cl)cc3Cl)N(c3ccccc3)C2=O)cc1	97968680	PWZIQCQFTRSELV-TUJXDINHSA-N	550.511	8.050	50	40	KKGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	100236411	OEOGZGSCACMSKN-KVUWKNAUSA-N	590.312	6.153	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	100239932	XXIKPWKDHAERRR-FMFFXOCNSA-N	604.798	6.177	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	100287801	PAPHGPVCIIUOSX-KCSSXMTESA-N	623.087	5.490	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc(OCc2ccccc2)cc1	100858114	QSHYTUHQEBCSPK-BIZUNTBRSA-N	560.123	6.925	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100988250	BNPLJXGVCNHCHD-UTDQILSNSA-N	573.299	6.821	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccccc1Cl	101042333	COFSRAJJGMXXLI-AREMUKBSSA-N	560.075	6.117	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3N[C@H]2c2ccc(Br)cc2)[C@@H]1Cl	102975245	CQXFVUIYAGMTLY-KXWVNSKHSA-N	584.750	8.703	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC	103890579	SMODMCPHTMETNV-ZROIWOOFSA-N	543.188	6.107	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CN5CCOCC5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699842	OLVPVSQCKFOMBJ-DLVOPXTGSA-N	564.686	5.286	50	40	KKGB	
Cc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(Sc3ccc(Cl)cc3)s2)cc1	105969493	HVQKAHRSDVXUDM-UHFFFAOYSA-N	579.150	8.543	50	40	KKGB	
C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341149	QRMCQANSETYAOJ-VKHMYHEASA-N	788.067	9.751	50	40	KKGB	
CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341200	HCVUUBLNRLYWFR-BYPYZUCNSA-N	952.115	12.047	50	40	KKGB	
CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341261	QJQNZHHCDNJNSS-ZCFIWIBFSA-N	830.148	10.921	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	150481190	VDIGECAZOFWFOG-HPNXWYHWSA-N	691.231	5.665	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1	408526679	CZXGWJIXHCLJKB-VVEOGCPPSA-N	583.348	5.460	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(F)cc1	408581046	SZENEANDEBYRQK-RQZCQDPDSA-N	568.213	7.779	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1	408588482	WLZOTQIDJKWISO-NVMNQCDNSA-N	536.196	7.250	50	40	KKGB	
O=C(NNc1ccccc1OCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408612761	YQGHIGIEOAEUOG-QGZVFWFLSA-N	514.807	5.178	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408642246	DTFDHUWNXUZPFW-UDZALUMHSA-N	794.236	6.139	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408673772	VBOMUASXFIMCKA-XOUADPBQSA-N	574.191	5.384	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408710537	BXSCFGIDXJTDFP-VFLNYLIXSA-N	582.278	6.515	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=C2C(=O)Nc3ccccc32)cc1)S(=O)(=O)c1ccccc1	408727505	FDEUSSVYKBJXKF-UHFFFAOYSA-N	559.047	5.130	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1-c1ccc(-c2ccccc2)cc1	408727880	YNLIMBSHMOJZPR-BIZUNTBRSA-N	500.558	6.007	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	408732573	RYPRGUGESSETBX-FZSDHLTPSA-N	607.113	8.083	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)C(=O)Nc1ccccc1I	408755041	MFGDATOCAAQVPM-LGMDPLHJSA-N	649.226	5.459	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408763822	KKJCNELXYPICIW-WOJGMQOQSA-N	667.319	6.074	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1Br	408763934	GNSVIUXHXOUJFL-MHWRWJLKSA-N	500.190	6.309	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c1	408772659	QEMBKLHIJOFKPZ-YVLHZVERSA-N	515.875	7.222	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408792728	CEFNNQLPWWSJKM-YBFXNURJSA-N	530.249	7.443	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1C	408797587	SFAWUOZPIKNIFM-UFFVCSGVSA-N	659.265	6.509	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc2ccccc2c1	408798285	VNZFJDQSZNENHZ-AFUMVMLFSA-N	541.445	7.352	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(C)c(C)c1	408811410	NOPYHOYLKRTLDM-KEBDBYFISA-N	572.830	6.695	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OCc2cccc(C)c2)c1	408826953	LUSCCPYKPGUOOQ-MTDXEUNCSA-N	518.613	7.016	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408839209	OUARQBXARJXFDW-XZYGTATASA-N	612.107	7.497	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408839460	SQRPFDGEAMICNS-KBVAKVRCSA-N	638.531	7.194	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408839601	AYDOVLRYWZEAMO-AABVJFSESA-N	695.394	6.828	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2I)cc1	408841348	IHWJAODWMXFAKD-IIHBXENTSA-N	776.360	7.695	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(I)cc2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842352	JDHXGWXCBRNRGB-FJEPWZHXSA-N	624.891	7.836	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1F	408851884	GXDRZUTVKWMPJL-DBFSUHOCSA-N	590.243	6.839	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)cc1	408854310	CEWACPVFBBPLIO-QJOVZPHJSA-N	612.955	8.520	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc(C)c1OCc1ccc(Cl)cc1	408860081	YBSLKTOFLFONON-RPPGKUMJSA-N	534.781	5.610	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408864308	VJYYYHMURMWFTA-ALQBTCKLSA-N	651.141	5.029	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)c(OC)c1	408872341	DJERCMRQCAPYKQ-KEBDBYFISA-N	616.306	6.040	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c(OC)c1	408880806	HMRQCEHLZBAZPU-DJKKODMXSA-N	531.823	6.466	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c(Br)c1	408882851	SKECCUNPGHRLEV-LZYBPNLTSA-N	718.465	8.823	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccccc1C	408923525	JGTGJWXJWJCVID-BIZUNTBRSA-N	606.460	5.573	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(Br)cc1	408925142	QCZBLGKOCAXYJE-LDADJPATSA-N	512.201	6.336	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OCc1ccccc1C	408926834	YTEVDCLYJUNPPA-UDWIEESQSA-N	664.281	6.728	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408936129	FNCYHRMDVSDBNC-FZPRHHONSA-N	615.553	7.559	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(F)c2)c(I)c1	408943226	HGZXMOMCHOAKFP-HHHXNRCGSA-N	828.442	5.499	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1	408993549	WDALSDKVKNRLEN-XMHGGMMESA-N	612.092	7.807	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	408996819	KALCUJGKODVPRO-UZWMFBFFSA-N	521.573	5.629	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1	409024274	PCLDSPWYZMQRFX-DBFSUHOCSA-N	517.796	7.135	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	409025036	PQRWQAFLOCHOIA-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1)c1ccccc1	409026144	HJUBFIWHONWZPI-IHRSZBTFSA-N	614.724	5.040	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	409028783	SLPWDIZMHJQGEV-UXHLAJHPSA-N	566.035	5.122	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409033028	DEOLDADIFGVJTH-FZPRHHONSA-N	615.871	7.569	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCc1ccc(I)cc1	409041486	AHBMMBZVHMVXRV-GKVNEZTPSA-N	667.547	7.977	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409133155	ZUYKVDARUJSLQS-RUZDIDTESA-N	600.941	6.073	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	409133705	MPJGAKYCXLQFTP-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)C2=C1CC(C)(C)CC2=O	409137776	XUBLENJQCKBLGU-RUZDIDTESA-N	600.941	6.073	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	409150488	BXXJBYKFCGURSA-MUFRIFMGSA-N	542.861	6.249	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Br)cc3)c(OCC)c2)cc1	409157043	HPZWGTZZLUPKEZ-WCMJOSRZSA-N	723.362	5.348	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1	409175232	ZEWOCBPUPHGHED-PUHLOBNQSA-N	669.882	6.407	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)n1	409221317	OLEZUAJEERVMTD-FJEPWZHXSA-N	578.536	6.085	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccccc1	409222427	CXHUOLPTPKEKRJ-UHFFFAOYSA-N	521.573	5.629	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccccc3)c2)cc1	409224417	JZWSOJLVKGJEAS-IIGUYCOKSA-N	598.453	6.093	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)NCc1ccccc1	409224586	LGLCOCFJFIIYCN-VCHYOVAHSA-N	603.698	6.106	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1	409224735	LKZJVIFBFUOPPM-ZMGVVAQMSA-N	566.828	6.882	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409225947	RPMOTIASHDIIPM-GGZKIVSASA-N	578.581	5.629	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	409227378	YDVXVYYHHPRMMX-WOJGMQOQSA-N	513.903	6.230	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2C)cc1	409253321	WWIOERIXLBJCJZ-UDWIEESQSA-N	627.333	6.790	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1Cl	409256117	NYZYOLQVMIKJBU-VCHYOVAHSA-N	526.774	6.401	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409257922	USALXXNDGRLCEW-VCHYOVAHSA-N	631.854	5.921	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409265429	UVEODWYSMPUVCM-RQZCQDPDSA-N	570.827	5.688	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2)cc1OC	409309727	LTILIAQRUKRHAY-QDTIIGTASA-N	605.283	5.319	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1OCC	409310462	VBKBLLSMXZQTOY-NTFVMDSBSA-N	595.899	5.822	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OCC)c2)cc1OC	409321156	RTINIZBVSDATMB-UHBFCERESA-N	606.432	5.969	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	409363578	UPTSAYVNVSFCKR-WKIKZPBSSA-N	644.678	6.129	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Br)cc1	409367864	INBNUPOFCKGQOD-WYMPLXKRSA-N	533.176	5.463	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)[nH]c2c1	409374602	URTGFWLAAOOAQX-MFOYZWKCSA-N	513.222	7.584	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409381601	HLFILNRAWBQDGP-KKMKTNMSSA-N	551.666	6.006	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)c(-c3ccccc3Cl)c2c1	409394743	FHSYUTDOVPBCQP-UHFFFAOYSA-N	630.926	7.941	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(ccc5ccccc54)c3-c3ccccc3Cl)cc2OC)cc1	409397034	FHHYXWHTBBQORS-UHFFFAOYSA-N	604.062	7.642	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409398441	SZQLCJFWAVMLNZ-UHFFFAOYSA-N	663.899	7.393	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409398468	TYMBTBXKHXXIOR-UHFFFAOYSA-N	646.881	6.971	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc(Br)cc1	409398703	VHABGKZHIKFOBV-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409399346	ZTXRZKUHLPEWNH-UHFFFAOYSA-N	705.505	6.457	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(Br)cc1	409400419	CYQVHBPQVZRQCC-FRKGHFGRSA-N	755.891	9.186	50	40	KKGB	
CC[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409402243	JIQYAQLAGBRRTM-KUVSIYKGSA-N	609.477	6.878	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	1529548257	ZRFSLOCXFBFMBJ-AHKFIOAWSA-N	677.610	6.611	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	1529548259	ZRFSLOCXFBFMBJ-RQQSEGDXSA-N	677.610	6.611	50	40	KKGB	
COc1cc(Br)c([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC	1082007	PGLQIJCDAXDIOU-MYYSRTQBSA-N	513.819	6.005	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1	1767365	WQEGQXLZHRELRI-XNTDXEJSSA-N	514.821	7.500	50	40	KKGB	
N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1	2360117	XYGHEQLKLQIUTM-UTDQILSNSA-N	512.393	6.197	50	40	KKGB	
CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C(=O)OCC)c1C	2387320	VMACWBQFVOSOAV-GDNBJRDFSA-N	511.581	5.239	50	40	KKGB	
Cc1ccccc1/C=N/NC(=O)[C@H](C)Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1	2740249	IKLBVSRCIVHWPU-ANRZLXOVSA-N	520.662	5.972	50	40	KKGB	
O=P(Cc1cccc(CP(=O)(c2ccccc2)c2ccccc2)n1)(c1ccccc1)c1ccccc1	3143265	MULOHZXKUHKBMY-UHFFFAOYSA-N	507.510	6.110	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Br)cc1OCc1ccc(Cl)cc1	4047770	PSBTZFZZXBUOAE-WCMJOSRZSA-N	566.883	6.862	50	40	KKGB	
CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)c1O	9272160	ITNKYDJWXJUYEE-JFLMPSFJSA-N	514.051	5.450	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1cc2cc(Br)cc(I)c2o1	9323147	IXZVWVHFYTXSAH-DNTJNYDQSA-N	503.521	5.217	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cn1)C(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)s1	9761315	QJLMDCDWIHZNEJ-OAQYLSRUSA-N	511.489	6.144	50	40	KKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)cc1	12251051	AVCXKGGWBQSLGJ-NDEPHWFRSA-N	509.675	6.828	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1c(Cl)cccc1Cl	12555933	PYYOEOUBXJXCCF-OQLLNIDSSA-N	514.321	5.740	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1	16284762	VQOIZWVHEGFRMB-OVVQPSECSA-N	504.439	5.346	50	40	KKGB	
Cc1cccc(C(=O)N[C@@H](Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)C(Cl)(Cl)Cl)c1	27025567	NEAMJQKJDXLBEE-YJGSSNSBSA-N	504.801	5.264	50	40	KKGB	
CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1	38658514	IHVYDSHOWHSBGP-MHZLTWQESA-N	500.551	5.320	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1OC	97968707	ORVDYRLORALHRF-TUJXDINHSA-N	592.515	5.251	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)cc1	100125628	RVJNFQMZMYAGEC-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1C	100125714	URJGZEYUBUROPH-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	100852528	REFLNWNJDDFGFM-MNBJERMJSA-N	559.761	5.723	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100853243	RDJUWVBSZRSBSZ-ZCTHSVRISA-N	548.112	6.526	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	102810179	ADLLRFJXUPHKPR-MUUNZHRXSA-N	540.664	6.458	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(=O)c1cccc2ccccc12	102932862	FBMSRVMIIOOOAP-XSFVSMFZSA-N	541.947	6.565	50	40	KKGB	
Cc1c(CCN=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)n2c([nH]c3ccccc32)c1C#N	102977491	VSMNEGVPLMFJOA-UHFFFAOYSA-N	526.580	5.681	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	105645107	NMFHVRITLWWIIV-RAWMCFOBSA-N	600.196	5.858	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	150485650	SDSKGALRRIXHOF-KBVAKVRCSA-N	670.542	5.128	50	40	KKGB	
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	257372485	UHCDRCBBCZLXBO-NBEPPFDSSA-N	641.186	12.671	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2OC)ccc1OCc1ccccc1	408539841	ZKMPYXQWNFKMHW-YSMPRRRNSA-N	569.057	7.369	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1cccc(C(=O)O)c1	408541419	GFBBWACIWCRPQX-ZDLGFXPLSA-N	603.210	5.877	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)cc2I)c1	408542325	KRIQWXSEUQYDPE-JMIUGGIZSA-N	621.212	6.546	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)c(C(=O)OCC)c1C	408547202	UWOILWAUKIDVNT-KGENOOAVSA-N	535.593	5.847	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(F)cc1	408551138	LIQNWRRBGFIZJK-CFRMEGHHSA-N	549.383	7.625	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	408570448	VGCPLFNMEMRWRH-MZJWZYIUSA-N	588.505	5.944	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1C	408608419	PMORRZDBOPCRAS-UVHMKAGCSA-N	514.807	5.387	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408648760	KEZOZEVOFPPFQR-ITXIHOPLSA-N	704.755	5.170	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	408653901	QCFNACDEFYSRIN-BFNJWEDLSA-N	661.944	7.262	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408687270	UAWSXLTUMDMAEE-BDXSIMOUSA-N	589.111	5.473	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCc1ccc(Br)cc1	408711585	AELDVRDHOIZJCA-UVHMKAGCSA-N	705.128	6.400	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	408711739	IGUSKFLWVXHJQK-LQKURTRISA-N	564.383	6.038	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	408718051	FOVOEJPXSQQESW-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408725121	JJPYRNTVJPQFSG-PXNMLYILSA-N	548.220	6.595	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408743929	CNTXVFHNODRCDL-YVLHZVERSA-N	634.224	6.095	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1	408746397	YWTMAVZMSOOBEX-XAYXJRQQSA-N	509.609	7.756	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1	408746720	GEZSCAWTESMSJD-LCYFTJDESA-N	506.581	6.671	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)ccc1I	408747289	LQWSWZVQPPDBCF-JFLMPSFJSA-N	523.374	5.624	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408747853	UTIMGBZLQHREDG-MNBJERMJSA-N	505.401	5.959	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)C(=O)Nc1ccccc1Br	408752105	BTYAUIQOTDGISF-GHRIWEEISA-N	602.226	5.617	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OC	408755663	RYKZJIGPUYEQLZ-JYRVWZFOSA-N	527.156	5.007	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1	408758288	IIBXJOMRRNAQMM-ZDLGFXPLSA-N	593.248	7.121	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3cccc(Br)c3)c2-c2ccccc2)cc1	408762801	MGKXBOFGQRZIBN-VFCFBJKWSA-N	616.515	8.296	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl	408766654	WJGSCBUIXPDNEA-GXDHUFHOSA-N	506.172	7.065	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408774265	YSBJJNYEPGVDAT-MTJSOVHGSA-N	719.317	5.459	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408790146	UFYWYDCJLZKFGZ-LICLKQGHSA-N	580.693	7.933	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)cc1	408790222	VFVMILYOTOKRRV-DEDYPNTBSA-N	526.349	6.117	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc2ccccc12	408793439	ORISPLVZEVDZTP-BUVRLJJBSA-N	541.445	7.434	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408793552	PKEIZJIRJAJGJG-VIZOYTHASA-N	508.188	7.130	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(Br)cc1	408795813	NFHLJQAJQSAODI-WOJGMQOQSA-N	572.253	6.441	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408808743	FJQKTOPWPGUIIL-PGMHBOJBSA-N	512.566	6.838	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408831798	WSOLDJYMYVKAJW-QNVXDBMFSA-N	766.454	6.914	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408832760	IVCBNETXRMYQSM-LPYMAVHISA-N	642.764	9.113	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4)cc3)cc2Br)c1	408835938	ZTSCQPQNOGCTOT-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408851012	UJQMJAOIPUFULT-KYMQWJLESA-N	627.116	7.616	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408855775	DNEWJJIYAPNWMF-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c2ccc(Cl)cc2C)cc1	408862041	WSCFWFSGNRMABS-QLQYKETESA-N	633.170	5.040	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408865740	DVZKFPIZGOPYNT-CAOOACKPSA-N	531.874	6.400	50	40	KKGB	
N#C/C(=C\c1c(Cc2ccccc2Br)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	408875103	DAFWHVMONRKTLT-RCCKNPSSSA-N	535.363	7.758	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408883720	ULKGSCQXXQTADZ-XODNFHPESA-N	521.784	6.037	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3F)c(OCC)c2)cc1	408885036	WTUPLPHZRAYQGY-FYJGNVAPSA-N	598.412	6.142	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408954247	YWIKITDZOPTIDO-MHZLTWQESA-N	785.342	6.982	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408970706	CDRDMFITHJAKNV-YIRWIUHWSA-N	530.452	5.604	50	40	KKGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)OCc1ccccc1	408987583	FUCQLFADNHQDPL-WGNYSBQHSA-N	592.612	5.038	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	408989063	GSOJMWYLFHJGHE-NTEUORMPSA-N	500.521	6.204	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408999940	UQTBZYFLVJXBCD-LSJKGLAVSA-N	712.382	6.653	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	409012463	IEDZOCYLHPFVIE-DHXCSHTJSA-N	592.523	6.581	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409027078	XBINOIHRIHZZOB-JEPNHJGPSA-N	681.167	5.119	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409030377	DBARMJIUPVTNLL-DPNNOFEESA-N	526.423	7.552	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)c(C)c1	409041922	KZJFWKISICBJCC-DJKKODMXSA-N	574.700	7.607	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	409056241	FZIUHDJGBIKNIH-KCSSXMTESA-N	626.960	6.023	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078598	IZJGWDPWFWTETB-CXUHLZMHSA-N	531.874	6.922	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1	409079838	GOPJPIYMMFYUKH-OQLLNIDSSA-N	566.319	7.657	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C2=C1CCCC2=O	409125369	NDRATEWKKBZERF-OAQYLSRUSA-N	577.704	6.174	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccccc1C#N	409130553	IEOWCJLDMNUEST-HHHXNRCGSA-N	652.533	5.523	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)c2C)c1	409135498	RNSWLTQMWFVNLC-BIZUNTBRSA-N	542.705	5.750	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409164779	NTXNOGNPYBZNLU-KNBZMSCYSA-N	642.721	5.833	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c(OCC)c2)cc1	409167053	GRZVNVVTLZCFQI-VTNSRFBWSA-N	625.520	5.360	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)Nc1ccccc1C(F)(F)F	409171359	ZSIBJVXQLZCLEZ-JJKQSNDFSA-N	625.373	5.112	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1ccc2ccccc2c1	409188142	BFIYXBZIGPCFNA-GXBUFBABSA-N	534.612	7.065	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4cccc(F)c4)cc3Br)cc2c1	409189081	IFGQISPGPOZRMA-NUJZUDFISA-N	541.373	6.085	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC	409225292	MRNSVHIJXHHUIH-UHFFFAOYSA-N	745.808	7.126	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409228019	ZHSAQNFCTWVBAE-DEDYPNTBSA-N	611.436	5.570	50	40	KKGB	
COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1I	409239717	DJUFMVDFRBQEGH-XGICHPGQSA-N	656.136	5.012	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(I)cc1	409243719	ZSUNRUUGSLSOGZ-MFOYZWKCSA-N	612.773	7.097	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)c1ccccc1	409244655	GWRKZNHHIGKEMH-SLCIXIPPSA-N	505.368	5.511	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1C	409252941	AEQZSNOYXRBVSK-WOJGMQOQSA-N	510.377	5.874	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)c1	409265961	XEBVLVLXBVRXAU-ODLFYWEKSA-N	583.280	6.392	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1OC	409314320	QYNVNZFRXZLTHF-ZMFRSBBQSA-N	503.780	5.463	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)ccc1OCc1ccccc1	409323188	OSVJGFLRMBBLER-MZFJOGFUSA-N	523.589	5.364	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c1	409359353	BNIGTILVPUDXNS-QDTIIGTASA-N	658.705	6.438	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1	409366312	ZVCGXFBNRQHXAX-BOPFTXTBSA-N	509.921	5.059	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409366408	UXFFVHDAZJTREL-PNQUVVCRSA-N	585.713	6.949	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCc1ccccc1	409369392	MDMCWFYVZRNDIN-NDENLUEZSA-N	560.229	7.096	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)cc(OC)c1OC	409395132	KFMBBULVFMAZGZ-UHFFFAOYSA-N	618.473	7.151	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409396922	CZQIFKVVBKXTTN-UHFFFAOYSA-N	602.430	6.862	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccco1	409397264	IBFJCICVPKNBCD-UHFFFAOYSA-N	533.971	7.218	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC(=O)OC(C)C	409400676	FARNCXZUPFWOCU-QJOVZPHJSA-N	613.711	6.488	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)o2)cc1	409405656	UHKXYNIXTVVOSZ-FDUMAKPYSA-N	746.283	9.441	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3ccc(C(=O)O)cc3)o2)cc1	409406400	WPOXNLMDDCUMNY-AEUUOICLSA-N	598.055	6.961	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3ccc(Cl)c(Cl)c3)o2)cc1	409406614	XGQLFEAUIXPCPV-KOKCXWAISA-N	631.560	7.982	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1cccc(C)c1	409408218	JJYUVGARSZUVFQ-IDWIKUEFSA-N	591.664	6.956	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2ccccc2F)c2ccccc12	1529548293	BZAFFOQGMKSBHD-KLOQDLPISA-N	613.715	5.022	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)OCO3	664339	BFEJBPUYVWOQNT-HSZRJFAPSA-N	581.220	5.609	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	1767581	WQMXXNJRJXLXKC-FOWTUZBSSA-N	524.827	6.955	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(OCC)cc2)cc1	1867530	UMURYBOFGRMRRS-STBIYBPSSA-N	536.057	5.628	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)n2-c2ccc(Cl)cc2)cc1	1906671	QWUSOUHIARTWNX-UVHMKAGCSA-N	541.420	5.700	50	40	KKGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1C#N	2057234	AYLBRTRRZUFXMG-QLQYKETESA-N	555.638	6.062	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2ccc(O)cc2)n1-c1ccccc1	2096799	ZXCPEXBHHCQGNI-RDYICOSNSA-N	521.046	5.178	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1	2706082	NBFOXIHQVDEMDD-UXHLAJHPSA-N	579.520	5.960	50	40	KKGB	
C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1	4214893	IFJUINDAXYAPTO-UUBSBJJBSA-N	720.734	8.524	50	40	KKGB	in-man
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1OCc1ccccc1	9057460	DEQHMXRCOCXVHQ-WOJGMQOQSA-N	508.328	5.491	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(Cl)cc2)cc1	12465346	YVCWGWZWMUDRKE-QRQIAZFYSA-N	522.030	5.237	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)c1ccc(F)cc1	15930170	GMWKXEGTJVDWGM-UZWMFBFFSA-N	524.625	5.804	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccc(C)cc1	19926500	WXRJHCMYALWLGQ-WPWMEQJKSA-N	504.439	5.422	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccc(C)cc2)cc1	20232254	XSBIUGUCLOLNAN-OGLMXYFKSA-N	525.696	5.097	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	59646734	IFJIZNXCINDGCR-KEIPNQJHSA-N	593.080	5.776	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1cc2cc(Br)ccc2o1	97960838	XYUZVIDVKFJGEU-FJEPWZHXSA-N	578.260	7.454	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	100034507	ZLLABDVCMPGHCD-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
CCCOc1c(I)cc(I)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	100164758	XHWRYTMZWJZSGD-MDWZMJQESA-N	555.157	5.625	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2c(I)cc(/C=N/NC(=O)c3ccccc3)cc2OC)cc1	100173822	HTXXDPTVIOQKLF-NJZRLIGZSA-N	616.496	6.481	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2C)cc1	100195782	TWEZWUYMDLVVDN-SBWWSWLISA-N	592.699	7.769	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1	102611790	KARFIRCLNVNLTP-VWLOTQADSA-N	535.069	6.576	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	112247318	WQRKVGGKCJQAKJ-KBKYJPHKSA-N	537.639	5.790	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C1/C(=O)Nc2ccc(Cl)cc21)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	118917010	UKBJVLJEAXCAFE-YVOVMPINSA-N	570.174	5.519	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](OC(C)=O)[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)C[C@@H](Br)C(=O)c2ccccc2)C1	118925372	GYYWEVBPOIFQGP-XEYFRXEPSA-N	615.649	7.791	50	40	KKGB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)[C@H](F)Cl)ccc1SSc1ccc(S(=O)(=O)C(F)(F)[C@H](F)Cl)cc1[N+](=O)[O-]	150387088	BNMGCSHVGWVURB-KBPBESRZSA-N	669.408	6.104	50	40	KKGB	
O=C(CC(=O)Nc1ccccc1Cl)NN[C@H](Sc1ccccc1)c1cc(/N=N\c2ccc(Br)cc2)ccc1O	150442433	XXVOSMFYUWWEIL-KWOVBYHESA-N	624.948	7.664	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1	207057325	NQYDHGLZNVZTMG-WQRHYEAKSA-N	516.222	7.189	50	40	KKGB	
CCC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1	253531086	HNLMHAUNUCSDSQ-DRTWCXDWSA-N	549.678	9.503	50	40	KKGB	biogenic
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](OC(=O)c6ccccc6)CC[C@@]5(C)C3=CC[C@]12C)OO4	257349576	OZOBOQMZNAZDEM-YTDWJBHGSA-N	530.749	8.258	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Br)cc1	408529963	KPFDGKPYEMMMOK-MFOYZWKCSA-N	593.069	7.525	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	408540055	MINONIPYJXSCSC-PQKVGRGHSA-N	681.583	7.967	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cc4cc(Br)cc(OC)c4o3)c3ccccc32)c1	408543705	QJWQUDVZJCWTHK-AMVVHIIESA-N	560.404	5.757	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)N4CCCCC4)cc3)c(OC)c2)ccc1I	408544360	SPDUOILXKWNFCT-MNBJERMJSA-N	627.479	5.277	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	408581230	HSSZHFMEQICWTM-CIAFOILYSA-N	506.986	6.146	50	40	KKGB	
O=C(NNc1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408608836	PXOSIUDWOVPXSH-MRXNPFEDSA-N	504.801	5.722	50	40	KKGB	
O=C(NNc1ccccc1OCc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408610437	UHONFWAQMOXEBT-MRXNPFEDSA-N	549.252	5.831	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O	408648492	WMQLMQGYEGSFSH-IFHMKRRJSA-N	592.306	5.938	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1	408672635	OHOWYWSZFPUGMZ-VQHPVUNQSA-N	554.666	5.327	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2I)cc1	408678468	ZLRKIOOOMBBZPI-WKULSOCRSA-N	695.295	5.537	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(C)cc1	408727192	XOBHCJYZLYGKGQ-UUYOSTAYSA-N	505.412	6.508	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408735091	NTGRWWRUPCMNFU-LICLKQGHSA-N	546.646	6.990	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3O)c2-c2ccccc2)cc1	408741696	KQIAGERTUJXIOP-STKMKYKTSA-N	501.586	6.680	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)ccc1I	408747554	PMDMSMIBMZYICX-YPXUMCKCSA-N	643.659	5.787	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408748811	HWIBOFMDTKBTEG-DHRITJCHSA-N	627.267	5.050	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(I)c1	408752054	FQTVGLQCYPSTCZ-SFQUDFHCSA-N	602.226	5.617	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccccc1	408758381	JHZBGIAAMVQYSG-ZHZULCJRSA-N	524.358	5.815	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccc(I)cc1	408780590	FSZICRBSDHAPPE-NDENLUEZSA-N	516.379	5.039	50	40	KKGB	
COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)ccc1OCc1ccc(Br)cc1Br	408783004	JFGSNFHRDBJVCW-FWGZSXSHSA-N	607.306	6.007	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408789764	LBJXIMKEFUOSFF-DJKKODMXSA-N	515.824	7.397	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408790281	VLICYRGNYLPSQL-VIZOYTHASA-N	571.085	8.187	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c(C)c1	408793653	PVFDBTSTSBQFQV-DJKKODMXSA-N	585.252	6.861	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(C)cc1	408794629	JXADDRLPLYWOGO-VXLYETTFSA-N	607.275	7.430	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408796464	PCZDLKCNAKZDEM-UDWIEESQSA-N	525.388	6.303	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408799640	ZTHOZAZCUDSQMS-XDHOZWIPSA-N	583.338	5.111	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc2ccccc2c1	408807702	DSNMQILOJIBRRY-ZMGVVAQMSA-N	669.313	7.695	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408813260	QLZHWDCFOZOMTA-MTJSOVHGSA-N	613.408	5.409	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408819854	UMTLYPMVXSDXPA-MTJSOVHGSA-N	566.408	5.567	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)C(C)C)o2)Cc2ccc(Cl)cc2Cl)cc1	408821293	FUCJGXVHFQPPRE-UVHMKAGCSA-N	522.454	5.392	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	408823237	DLYFJTHHPOFJRE-DEDYPNTBSA-N	602.856	6.867	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408825475	CLZREWQGGVWUEV-ODNPBWNPSA-N	699.067	7.468	50	40	KKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408826182	BSJKHUPWJJRZHY-YBFXNURJSA-N	545.850	7.569	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccc(C(C)C)cc2)cc1	408829168	KWAKHSCONYCDSR-QNKGDIEWSA-N	555.700	6.043	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408835239	WUSQJHQNOCUHOK-AFUMVMLFSA-N	713.399	9.009	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCC	408836133	YYSCYDABFZWERV-DEDYPNTBSA-N	511.405	6.915	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	408837754	MWRFJTDVRUMCCO-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccc(Br)cc2)cc1	408838635	YSIBTZPOTLOFEU-LQKURTRISA-N	558.498	5.138	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839332	QTXAJUKBTSATHT-SAEPALGJSA-N	668.016	9.466	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2cc(Cl)cc(Cl)c2)cc1	408844820	WSFVNZYKDVINDM-VFLNYLIXSA-N	544.382	5.666	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2I)c1	408852226	DUWIDZMJCGWQTN-WKIKZPBSSA-N	589.227	6.451	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)c2C)cc1	408855273	BIYKVPUBKIVRSR-VFLNYLIXSA-N	574.490	6.004	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1cccc(F)c1	408857102	SDMCBOROTNMMDH-SGFZWYBVSA-N	587.695	8.062	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408857606	OSKYTCIRJZNLCN-FTCYSYDXSA-N	641.143	8.006	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408858224	NPZBZLUVRICTCP-IZYHBKOJSA-N	719.485	7.813	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408862015	WIILGYYSAVCPFG-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)c(OC)c1	408867778	NOPQYSJWMBNQDB-SSDVNMTOSA-N	506.986	5.477	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCc1ccccc1Cl	408890050	NBMOZXLVSNHICS-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccccc1Cl	408891112	LQQZNDCSRIZBRI-YBFXNURJSA-N	560.275	7.588	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Cl)c1OC(=O)c1ccc(OC)cc1	408894953	SLYHRQDTDJLDIH-WOJGMQOQSA-N	551.939	5.429	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408904262	HFPDPQSRSHELEB-FXMZOFOKSA-N	593.217	6.762	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408905360	XUVSRIYBXIYVBM-QDTIIGTASA-N	604.299	6.010	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	408922952	HVTRAEMRRMPQNB-GHRIWEEISA-N	530.389	5.265	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1	408925457	TXQPSTCYBDDNSY-UIGQDENISA-N	715.985	5.419	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1cccc2ccccc12	408945887	LTOHBUMAKBGHEG-PGUFJCEWSA-N	678.811	6.041	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(OCC)c1	408952000	UVCKGGWAKBFAOC-LJAQVGFWSA-N	763.054	5.807	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)c(OC)c1	408957164	SOEVCIMTVIEEIA-OLDUKCEXSA-N	791.437	5.670	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1I	408961428	CDSXPVBSWKRHBM-NUGSKGIGSA-N	588.105	5.077	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC	408970513	ARMZRNMCMVZNEC-SEVZJSAHSA-N	623.331	5.418	50	40	KKGB	
CC(C)COc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1	408970880	AABUIDMUIHENNM-VQKSMGMGSA-N	556.490	5.673	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1	408973211	XOLLVWUARKHPSV-RUMWWMSVSA-N	536.072	7.400	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1	408973778	VAGGSSVHCUVWBH-CIJDEGAQSA-N	624.576	6.104	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Br)cc1	408985506	XEMAFJXXXKTOCH-HMAPJEAMSA-N	521.842	7.264	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409001546	WLYDOXARROUHKA-MUFRIFMGSA-N	535.025	6.336	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(OCc2ccccc2)c1	409006911	SJUCIVVFCDWBEU-ZCTHSVRISA-N	548.064	5.260	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc2cc(Br)cc(I)c2o1	409012491	KIUXXKCVUORMSS-PGGKNCGUSA-N	614.577	6.385	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(I)c1OCc1ccc2ccccc2c1	409022627	DIZCVSAWXBQKML-HQDYHJHZSA-N	631.470	6.499	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(I)cc1	409024882	YQXKTPSMPVSIBE-BRJLIKDPSA-N	517.754	5.862	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1	409028630	QVHLLSVOHPAQGS-CVKSISIWSA-N	555.281	5.492	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1	409054393	FTVNHMKMPPGZEF-LDADJPATSA-N	506.356	5.021	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OS(=O)(=O)c1ccccc1	409070700	LTIGPESLLCDUDZ-QGOAFFKASA-N	516.497	5.417	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	409109698	JLEWCEAHNGYPHR-OCSSWDANSA-N	630.483	5.183	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	409143952	ORCJHYQXJAZNEM-NRFANRHFSA-N	555.226	5.477	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(Cl)c1Cl	409147355	WUFQHNKYMVHUER-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CCCOc3ccc(Cl)cc3Cl)o2)c1	409173511	JCDZCNPSNJUDFY-RWPZCVJISA-N	503.382	6.128	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Br)cc1	409189424	GKDMGJLPIIKTAE-LGJNPRDNSA-N	500.780	5.192	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)NC1CCCC1	409190397	YHMZPOHNVQDZIP-BOPFTXTBSA-N	504.222	5.756	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409219879	WDBQFIAUPANSDK-UHFFFAOYSA-N	734.279	7.374	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409222787	CVYARFBGRMDTGA-UHFFFAOYSA-N	645.326	7.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409224353	JDFFAZGWTPOMMJ-XDHOZWIPSA-N	568.413	5.742	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409247426	CDSSLOZIIKBJNM-DBFSUHOCSA-N	579.278	6.244	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl)Nc1ccccc1	409258992	WVSRYQKPJBBACR-OHUYPAJKSA-N	582.085	6.989	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)ccc1OCc1ccccc1Cl	409262573	HXWZAELRTMWAOC-CCVNUDIWSA-N	563.823	5.485	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccccc1Cl	409267997	YOVAUWHWOBHSLN-GWPKRETCSA-N	506.002	5.129	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC	409301875	GZZMBYMFLBBOFM-BVMLUPFRSA-N	608.367	6.896	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409311541	AJLMITRMBOUDPY-DICXZTSXSA-N	513.388	5.208	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(CC)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409317559	VIYIQQAXKLINJE-YADHBBJMSA-N	562.475	5.064	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1OC	409318791	ZOFDPCIMVHJXST-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409321999	VOPBLNNHGVSLQA-MOPGFXCFSA-N	603.311	5.809	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)ccc1OCc1ccccc1	409324849	VWJKXSRCDNEEJQ-MZFJOGFUSA-N	559.460	6.770	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC=C)c(Br)c2)cc1OCC	409328103	ZCIROWRMLKFBJY-QFEZKATASA-N	538.236	5.504	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Br)c1OCc1ccccc1Cl	409366583	WQBYWBSFLLPAGA-MUXKCCDJSA-N	545.817	5.154	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409367876	MWJGXPQMKHJKEQ-UWVJOHFNSA-N	561.206	7.121	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1ccc(F)cc1	409373164	NRORERRFAXCKAL-HNSNBQBZSA-N	512.581	6.458	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(I)cc1	409387869	XMMWSXQDJNWMNL-XODNFHPESA-N	727.318	6.760	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccccc1	409394734	FFSNWYLBILISAD-UHFFFAOYSA-N	622.906	8.387	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1	409395492	OGORCEDBSLRGPC-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409396770	AZMZJIBMBWYYAG-UHFFFAOYSA-N	541.529	7.145	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc2c(c1)OCO2	409401851	IKATWLKOZSFZAB-AEVGBRMKSA-N	686.559	7.499	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)Nc3cccc(F)c3)o2)cc1	409402347	JVLMEAUCQQWAAL-RODHXAHZSA-N	660.058	6.748	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)N1CCOCC1	409403185	MCNSAUFDBIQFDP-KMUKQRDJSA-N	679.568	5.429	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	1529546180	DJVUQYNAIWCULB-XINRNAFCSA-N	645.540	5.597	50	40	KKGB	
C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1OC	2170054	XXTNDCKDGRWVRF-DEOSSOPVSA-N	549.469	5.786	50	40	KKGB	
Cc1ccc(C(=O)[C@H](Br)[C@H](Br)c2cc(Br)cc3c2OCOC3)c(O)c1	2344859	KYINFNHUCDGKGC-HZPDHXFCSA-N	535.026	5.412	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)c1ccccc1	2672751	QVLFPCKWMMIUQD-FTGODIDHSA-N	542.614	7.042	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccc(C(F)(F)F)cc1	2706028	QELNELVOULTAAJ-VFLNYLIXSA-N	561.383	5.409	50	40	KKGB	
CCOC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1Cl)N2	4048167	KCDKIKPDHLMOAY-UXXDJHJKSA-N	577.917	8.117	50	40	KKGB	
Cc1ccc(S(=O)(=O)O[C@H](CI)[C@@H]2O[C@@H](c3ccccc3)O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]32)cc1	5732587	BAECIMNJDZDGFY-IFRRXRCGSA-N	622.477	5.101	50	40	KKGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1	18193388	SOBUFNPZTAANBB-HFVULOTHSA-N	501.630	6.308	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C(/CCN1CCCC1)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	31841760	APBBCAWLTXBCGG-OJJWLJNDSA-N	523.633	5.221	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1Cl	59211938	JJDJJUUCQGLPLH-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
Brc1ccc(N2NC(c3ccccc3)=NP2(c2ccccc2)(c2ccccc2)c2ccccc2)c(Br)c1	95681927	BOUNWKZLAFJDCT-UHFFFAOYSA-N	629.336	7.343	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1	96476469	PQGQUTLZDWTERX-HFTWOUSFSA-N	509.609	7.756	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	97959419	IJSTXFVZLRSCNA-HIWRWHBISA-N	576.959	5.172	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(I)c2)cc1Cl	97960761	TWIOZOPXCXPSNF-UUILKARUSA-N	575.584	5.025	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1	97961069	CKJUFIBTRQNKDO-PRXITALISA-N	604.274	5.044	50	40	KKGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)cc1OC	97966530	UVVGFLOOTDIQHZ-MHDJOFBISA-N	617.500	5.888	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F	98000254	FWEIDTSAZVGXLP-DEOSSOPVSA-N	562.013	6.464	50	40	KKGB	
COc1ccccc1C(=O)Nc1c(C(=O)N/N=C/c2ccc(Br)cc2)sc2nc(C)cc(C)c12	98008440	YJZSZKDQWDMZDY-UVHMKAGCSA-N	537.439	5.700	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1ccccc1OCCNc1cccc2cccc(NCCOc3ccccc3P(=O)(c3ccccc3)c3ccccc3)c12	98045897	PDWRHCZEAWHZED-UHFFFAOYSA-N	798.860	9.100	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	100063596	AVXKIPNNDWRTKL-DFKUXCBWSA-N	532.065	6.198	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100117806	SSDAEMQXTMATLE-WCMJOSRZSA-N	535.431	6.069	50	40	KKGB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1	100160883	ZRGXRXGETOZQIP-XHPQRKPJSA-N	559.713	5.271	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	100230536	QZVGKUKNARCBHD-INMNSQLNSA-N	554.710	6.720	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC(C)=O)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852116	FKNFIXGHQSRCBK-KCSSXMTESA-N	587.702	5.417	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)c(O)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	101510829	QQLJNHUMYQXOTI-WCMJOSRZSA-N	624.561	5.960	50	40	KKGB	
CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)c1	102423417	NTYYREBDFPIFSR-WJOKGBTCSA-N	563.679	6.269	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)N=C2CCCC(O)=C2[C@H]1c1ccco1	102620246	CTWMCDFRTVKPJT-AREMUKBSSA-N	544.032	6.805	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	102810310	LYURQZXKBIHWEQ-SANMLTNESA-N	551.018	6.325	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br	102933162	MFGOSALQPJWVPM-VZUCSPMQSA-N	529.572	5.718	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(/C=N/NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2[N+](=O)[O-])c1	102982127	IZYWMJGXIXKRSK-NDZAJKAJSA-N	564.664	5.757	50	40	KKGB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc1	103041804	UCWKQYLFLAPGPI-UHFFFAOYSA-N	605.716	6.223	50	40	KKGB	
COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)NNC(=O)c2cccs2)cc1	103135542	DTCSGPTWUPPMPT-HWLQVLAGSA-N	541.629	5.046	50	40	KKGB	
CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	150451638	FYCWTFCWIKBBNZ-QFIPXVFZSA-N	647.901	5.820	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	150490495	JTCYZGVLFNZTFL-ATZGPIRCSA-N	642.565	5.714	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	150494848	VJHLESOWAFJPLY-FDALDRLYSA-N	661.611	7.569	50	40	KKGB	
FC(F)(F)C[C@H](I)CCCCCCCCCC[C@@H](I)CC(F)(F)F	169795394	DTGLJFKPCBHNBK-ZIAGYGMSSA-N	586.180	8.399	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	198318900	USTQMONNVVNWEY-CHSHITCJSA-N	652.094	7.437	50	40	KKGB	
CCc1cc(Br)ccc1NC(=O)CCCCCN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O	226399924	YSUAFJDLKNMOOC-QOQYEHNVSA-N	619.192	5.288	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](SC)O[C@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O	252438266	OYSKUZDIHNKWLV-NAYFVIMISA-N	663.406	6.422	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)c(OC(C)C)c(OC)c2)c(C(=O)OCC)c1C	408547390	VYKTVVLWOGTLKN-RQZCQDPDSA-N	534.030	5.578	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1	408550432	DZGRUTZJPKWUBI-LZYBPNLTSA-N	549.241	7.172	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCc1ccc(Br)cc1	408553480	ZLLVDWSBTBRWKK-HZHRSRAPSA-N	602.554	7.513	50	40	KKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)o2)cc1	408568104	HXLAXTJDQUMNCB-OGLMXYFKSA-N	524.664	5.911	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccccc1F	408570441	VDOQGHSBLPPTQP-FJEPWZHXSA-N	652.551	6.416	50	40	KKGB	
Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2)c1	408605612	MMVNBIZBHWAKKE-XIEYBQDHSA-N	555.638	6.822	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	408612066	UIRBRHQSVBXIJB-STBIYBPSSA-N	509.990	5.195	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408639823	GDSWRRPBPZSMSC-FATVKVNYSA-N	752.865	5.578	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408663010	YASVIXVOIAMPOA-YMZXELBNSA-N	677.604	6.053	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408725515	JNTCEJPJGWHGFG-UNOMPAQXSA-N	522.355	5.881	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408745725	ABQZFJGGSFGKEU-XKZIYDEJSA-N	547.836	7.389	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc2ccccc2c1	408746158	XPFXDASJZSDAJT-OYKKKHCWSA-N	527.418	7.044	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc(OCC)c1OCc1ccc(Br)cc1	408747545	PKEGQWKZVZOIDP-OKCVXOCRSA-N	649.323	6.532	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(-c3cccc(Br)c3)o2)ccc1I	408748106	YKMHIPIGNWEWHJ-SSDVNMTOSA-N	525.140	5.086	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1	408750517	OGLFDBATIVCFIE-KCSSXMTESA-N	579.878	6.076	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2Br)cc1	408758778	RATVDWYTQGTJCT-ATVHPVEESA-N	576.266	5.833	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(Br)cc3Br)c2C)c1	408761364	IXMSYHIJZNQAAW-ROTLSHHCSA-N	519.237	5.457	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)Nc1cccc(Br)c1	408763745	UOOYBURXTSLYSX-WMZJFQQLSA-N	500.972	5.225	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408774742	QLVWIQANJCOYJS-STBIYBPSSA-N	568.415	5.512	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2cc(Cl)ccc2C)cc1	408777118	VOBMMFUXTKOEQQ-MUFRIFMGSA-N	522.026	5.161	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408783366	ODXJHMNOKIMMFR-YVLHZVERSA-N	614.352	6.153	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1C	408792207	JNCQQGBFRMNMII-QGMBQPNBSA-N	656.145	8.102	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(O)cc1	408793737	QCEBLEZTFDBGPS-KGENOOAVSA-N	546.364	6.275	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3c(C)ccc4ccccc34)ccc3ccccc23)cc1Cl	408796319	ABYURIWVMSZTRA-KOEQRZSOSA-N	517.028	8.388	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)cc1	408799376	YWKVICWESXITNQ-ZVHZXABRSA-N	571.427	6.522	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1	408807661	DGBNLCBREIVKNU-VFCFBJKWSA-N	588.505	7.806	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1cccc(Cl)c1	408807843	LFWBKLJUXISPAM-VXLYETTFSA-N	511.803	6.544	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3OC)c2C)sc2c1CCCC2	408811393	VKTPSNKWWDHUCH-RCCKNPSSSA-N	517.651	6.074	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408812806	BXHBLANXLHZSDZ-MTJSOVHGSA-N	521.957	5.458	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408813868	DVIDHMNMUCWQBK-APTWKGOFSA-N	651.501	6.162	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)sc(C)c1C	408814502	FWTUFGMHEMZPGW-OJYCWLPVSA-N	578.738	7.479	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1	408826680	KMCYYLTVGVLORB-GUBAARJWSA-N	684.840	5.629	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OC	408828479	FBPAUQUTZGMEAP-VCHYOVAHSA-N	531.823	7.179	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(OC)cc1Cl	408828992	OHXKPNRENOYAOV-CAOOACKPSA-N	649.825	6.003	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c(OC)cc1Cl	408829565	XFQNCDQGGUXIIX-YBFXNURJSA-N	567.856	7.942	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408829723	QCUFCXQVDRWJHC-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408845891	MCXXXVHUERJGJL-PPDIBHTLSA-N	603.223	6.218	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4OC(=O)Cc4ccccc4)cc3)sc2c1	408847688	UDZXTVNOJZHCLN-ALQBTCKLSA-N	582.081	7.027	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(I)cc1	408848071	PGVNSRIDRYRTRY-RHKOWXKBSA-N	651.548	8.129	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408849111	VGOAQOLYZZVXIT-KEBDBYFISA-N	560.275	6.957	50	40	KKGB	
Cc1c(Br)c(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1	408856420	JXIJFRPMYFXIEQ-GATIEOLUSA-N	584.106	5.911	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408856752	QYLPYFXIULEEHF-QDTIIGTASA-N	617.250	6.608	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1	408861241	APRZWLOPQAJEIH-XODNFHPESA-N	545.448	6.140	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)cc2)cc1	408862285	ILWBASYYGJOVOV-KEIPNQJHSA-N	614.724	5.182	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)c2ccc(C(C)C)cc2)cc1	408863455	RXTGLPXYDZWSCW-JVWAILMASA-N	528.472	5.227	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1Cc1ccccc1Br	408871623	ZHLKUDYYSLLODX-FYJGNVAPSA-N	568.309	7.309	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408875052	CANLYEIIDKUAMD-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)c(OC)c1	408877869	VCVARDYOPMASOI-DHRITJCHSA-N	587.470	6.430	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl	408880596	IMOBWTBUAMAPEB-RIYZIHGNSA-N	631.129	6.832	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)cc2)cc1	408881653	LXGZBHJKSGRRQE-XSFVSMFZSA-N	549.377	5.399	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1c(Cl)cccc1Cl	408898918	YJIWFJCQMIFFRV-GZTJUZNOSA-N	639.171	8.350	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccccc1Cl	408904154	FNXBJPVHUQOBMV-PPDIBHTLSA-N	558.772	6.108	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408970895	AEUNWSYZIGCQMT-RFTRKQJISA-N	704.276	8.090	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	408971097	MAMVSQQWXXDSHM-KCSSXMTESA-N	582.509	5.914	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408972672	QMOGXBAMCCZIDI-RYDQESHSSA-N	587.342	5.993	50	40	KKGB	
Cc1cc(C)c(COc2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)c(C)c1	408973168	ZMAHCEAJUXBZKZ-HZZDUDTOSA-N	598.571	6.946	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409028395	NAWZUAFXVLQYEV-OGLMXYFKSA-N	534.465	5.518	50	40	KKGB	
Cc1ccc2c(c1)c(/C=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)c(C)n2Cc1ccc(Cl)cc1Cl	409041691	JENMTGBKJFHKCX-KOKCXWAISA-N	577.515	8.592	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409063597	CULIEVDQLRDVFM-OQLLNIDSSA-N	518.334	5.215	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1	409072043	UIVZFSKTRCPDNK-WOJGMQOQSA-N	501.391	5.924	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1Cl	409156995	HMVHCWKKEULMIV-KVSWJAHQSA-N	533.799	5.062	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c2)cc1	409168836	NWVQCRMPPYQSAB-KBVAKVRCSA-N	595.494	5.351	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)c1	409217960	GIMAPQOFKVDWJT-GXMWNFHKSA-N	562.025	5.315	50	40	KKGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)cccc2[N+](=O)[O-])cc(OC)c1OC	409220100	YDVZWDRXDVCALW-OHUYPAJKSA-N	612.595	5.164	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409223705	HWQCKWMDFYMQSK-MEWGGAFXSA-N	523.976	5.975	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)ccc1OCc1ccccc1	409253056	FZSHJLLFEURKSO-AEUUOICLSA-N	695.408	7.279	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409255127	GHKPIAXYDSPBKC-BKUYFWCQSA-N	517.969	5.307	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1C	409263001	LAQXRFHODLAFHI-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	409270633	GNFZAOFCVKKRDC-UHFFFAOYSA-N	546.586	6.807	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1OC	409309808	MREWMGILCFOGED-DBFSUHOCSA-N	550.826	5.836	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)ccc1OCc1ccccc1	409315010	UQPKLHKOKQZEHQ-KYHGBAKBSA-N	624.329	7.142	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409316196	PJCMBJJXCRFEJS-UHBFCERESA-N	620.871	6.260	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)NC(=O)C[C@H]1c1cccc(Br)c1	409316565	ZMKWUEFSGLDYFT-AWEZNQCLSA-N	589.231	5.941	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC	409324727	VELDCZHSOGZEMK-NUJZUDFISA-N	546.407	5.191	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409355002	BPGGAVMUKGPSNT-VYVUJPJFSA-N	665.007	7.422	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc2c(c1)OCO2	409359905	CJJZXXZFHKXFPT-FBHDLOMBSA-N	657.245	7.421	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1cccc(F)c1	409371075	AOWJEDXNYPOLPH-ZDLGFXPLSA-N	517.313	6.611	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccccc1F	409372279	UYBNJORSOAACGO-MFOYZWKCSA-N	531.175	6.692	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2OC)cc1	409376359	AELLORASPUCKOV-FZKWRIDDSA-N	607.692	6.352	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1cccc(I)c1	409384335	BISSAGHRGKMXDL-WYMPLXKRSA-N	544.374	5.586	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3)c2c1	409395612	PTFWGZCBSXTZFK-UHFFFAOYSA-N	672.532	7.005	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccco1	409395853	SLRUFMHSICYFBB-UHFFFAOYSA-N	631.697	8.134	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(Cl)cc1	409400054	NLCDWDZUIDVVCC-VHFSBPNMSA-N	662.968	8.034	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Br	705889	RRGXENHXYIFCHE-OAQYLSRUSA-N	539.455	5.058	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc(Br)c1OCc1ccccc1	987168	BPVAKCABVHGYQX-QFIPXVFZSA-N	563.477	6.323	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)N1	1067371	ULRPTGSNMOZKFQ-RUZDIDTESA-N	569.539	7.070	50	40	KKGB	
CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	2310763	CIRUYKPCYDVCSP-PMACEKPBSA-N	504.395	5.333	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Br)c3)nc3sc4c(c3c2=O)CCCC4)cc1	2591457	PJLGBZSYHIGPFX-CCVNUDIWSA-N	567.534	5.639	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@@H]2c1ccc(Br)cc1	3666911	BDRMRCKWCBDYIH-QHCPKHFHSA-N	533.495	6.202	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccc2ccccc2c1	8396513	YALGRPIFNVEBAO-YQYKVWLJSA-N	506.635	5.665	50	40	KKGB	
CCOc1ccc(C2=C(/C=N/NC(=O)CSc3nc4ccccc4s3)[C@@H](c3ccccc3)c3ccccc3O2)cc1	8399781	VMWYKFQKHTYJJI-QHGCQYGXSA-N	577.731	7.525	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccnc3)nnc2-c2ccc(Cl)cc2)cc1	9019137	KHCYTKPXBCWGFP-QRQIAZFYSA-N	507.019	5.014	50	40	KKGB	
C/C(=N/OCC(=O)N/N=C/C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1)c1cccs1	16136685	XGQFPGHIVNVTKU-QKBFFVFVSA-N	507.615	6.227	50	40	KKGB	
O=P(COCCCCCOCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	17434093	QSQQKXTUGQCVLI-UHFFFAOYSA-N	532.557	6.133	50	40	KKGB	biogenic
O=C(COc1cccc2ccccc12)N/N=C1\C(=O)N(CCOc2cccc3ccccc23)c2ccccc21	40138828	XXTMNSCIUCRJSM-NMSHJFGGSA-N	515.569	5.318	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(I)cc2)cc1	96476306	QFGJVJXXXMWECD-RCCKNPSSSA-N	508.359	5.978	50	40	KKGB	
N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cccc(I)c1	97962976	SJCFLVKSCGCUKZ-WOJGMQOQSA-N	519.342	5.897	50	40	KKGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	97980595	LAPWDDROTMAURT-OUKQBFOZSA-N	526.959	5.058	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	98048589	KGWJJAMDOUSENZ-XMMPIXPASA-N	595.628	6.615	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1	100120742	UNCSMNWPXATMBX-OCSSWDANSA-N	532.507	7.054	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)n2-c2ccccc2)cc1	100136199	VWSSWRXFLBTXPA-RGXNXFOYSA-N	533.657	6.064	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)Cn1c2ccccc2c(=O)c2ccccc21	100221691	QRDIXWOFDYRZCI-UVHMKAGCSA-N	557.242	5.229	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102652176	ABQXQPGGTUMFDW-RUZDIDTESA-N	529.578	5.203	50	40	KKGB	
O=C(NNC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	102994677	WNHGGHUROSEINW-UHFFFAOYSA-N	574.309	5.188	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889338	KPHZJIVJMGOTKD-SXGWCWSVSA-N	547.192	6.789	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Br)cc1	105160338	CINDOKCEPGATNP-XDHOZWIPSA-N	545.355	6.991	50	40	KKGB	
C[C@H](Cl)CN(Cc1c(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)c(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)c1O)C[C@@H](C)Cl	150367843	RSJKZZQPLRISQV-UFOPBENGSA-N	672.393	6.973	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Br)cc1)N2	150434663	ITEUNMLJIJCQRD-HUQNGGHASA-N	694.003	8.402	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	150623358	BHGCKMAUIYPGCL-DPNNOFEESA-N	702.374	7.618	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(I)cc1	164747473	COULYQUYCPLIDU-UNOMPAQXSA-N	668.156	8.214	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2OCC)ccc1OCc1ccccc1	408539195	FNAVECQYMKTXJC-FZKWRIDDSA-N	604.059	6.968	50	40	KKGB	
COc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)ccc1OCc1ccccc1	408539559	XLZMUXLLGZMTCM-KOEQRZSOSA-N	508.549	6.538	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c(C(=O)OCC)c1C	408545995	BRJYIIIEWKTLDV-FYJGNVAPSA-N	548.617	5.234	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	408565845	BHYLBKLXSSFBBK-MYKKPKGFSA-N	578.173	5.371	50	40	KKGB	
C[C@H](C(=O)O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408647226	BIXFENVCQMHTDE-NPMVWSKTSA-N	631.339	6.045	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408688359	WCKIHPSYCCRGDG-MHORFTMASA-N	589.111	5.473	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c1	408725100	FDJFBUKNRSWPCY-RPPGKUMJSA-N	646.650	5.901	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2	408744336	DYYUMPTVCRBSPL-IUXPMGMMSA-N	541.785	5.964	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(-c3ccc(Br)cc3)o2)ccc1I	408747730	SDNWETUPXROAOE-JJFYIABZSA-N	525.140	5.086	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747838	UMVNGYZSLPIPKR-SXGWCWSVSA-N	703.087	6.922	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408757798	CEKISYYQHFXVLM-ODLFYWEKSA-N	526.228	6.645	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)cc1	408761310	IGTXMGIEJPLSHK-NDENLUEZSA-N	521.367	5.671	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408769664	YUKKXPBZTWPOFL-NDENLUEZSA-N	650.344	7.577	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1ccc(Cl)cc1Cl	408786464	QHMWXZCMNCVDTR-QPEQYQDCSA-N	513.686	8.430	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(I)c1OCc1ccc(Br)cc1	408805283	FTMMNMISHTZYCW-VCHYOVAHSA-N	637.699	7.149	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OC(C)C	408811473	VRPNUEUCVDWBDY-OQLLNIDSSA-N	508.210	5.943	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1	408815370	WLQWFZXCFFSSTC-XDHOZWIPSA-N	525.786	6.014	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)c1ccccc1	408821423	HDWHKRKKQUXWGP-OGLMXYFKSA-N	507.999	5.088	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)c(OC)cc1Cl	408822078	BDDZLGMBBNPWDU-CIAFOILYSA-N	533.411	7.288	50	40	KKGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408826919	LTCKEAOZAIAQHT-ZMGVVAQMSA-N	629.522	5.383	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)c1ccccc1	408829220	LBIJMUBJULYVGZ-TVTFLPAYSA-N	592.721	5.481	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1OC	408830870	TWOANVHXWFUDON-NNLKUIAGSA-N	751.283	5.683	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	408831925	PXTMYJSYEUUTNR-ALQBTCKLSA-N	635.142	5.329	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838774	IFOARFLOALPRMV-PUHLOBNQSA-N	741.849	8.983	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccccc1	408842021	HVYMGMOVCNLHPE-FABQOPTDSA-N	627.564	7.976	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(C)cc1	408842357	JHZJZNKKCZFNNM-XJECJHNESA-N	662.009	8.630	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408849351	ZTPOGWYMROBSEF-CCVNUDIWSA-N	555.885	7.132	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccccc1Cl	408854364	DFMGDMUVEUTFGS-VXLYETTFSA-N	547.674	7.907	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1Cl	408855071	DCFAYUUPPXXRDM-JNKLXYNLSA-N	569.514	5.608	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2C)cc1	408858680	KOYATHNGQOTFLD-IPPBACCNSA-N	523.964	5.321	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC	408858953	UOZOUYFKEFYUCP-MSXFZWOLSA-N	522.193	5.685	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408859636	OKFKARYXTGJCRU-JEPNHJGPSA-N	620.171	6.589	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408861290	PVMHIGYUODTNFN-DPNNOFEESA-N	672.985	6.399	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1	408865180	BJCMMQRNRHHTAC-AJBULDERSA-N	572.643	5.082	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408871946	ZYNXLVSKTQSWDZ-SCRDLHCBSA-N	526.829	5.210	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(C(C)C)cc2)cc1	408872169	AHNUXWWMJYSKPY-HNSNBQBZSA-N	621.601	6.634	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Br)c2)cc1Cl	408874333	AEYZGRDRKPXLQP-VXLYETTFSA-N	500.223	7.201	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)c(OC)c1	408877307	UOAJHMDIRXEWKS-DJKKODMXSA-N	606.300	6.584	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1	408881088	LTVYSTJUSJBAOK-QNKGDIEWSA-N	591.089	5.337	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1Cc1ccccc1F	408883510	QATHJGGUHDFUSN-YBFXNURJSA-N	526.349	5.884	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)O	408890705	XXKBTKMNTAICON-KGENOOAVSA-N	527.374	6.425	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	408895873	OIIXVUJNFNNEBR-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c(OC)c1	408926527	YJINBDMOIVPWGH-QNRLOOANSA-N	644.128	5.380	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Br)c(Cl)c1	408946451	AGTWFGVRWVANIG-NDENLUEZSA-N	521.846	6.257	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCc1ccccc1Cl	408963434	BZBNAMLKGHQREJ-XODNFHPESA-N	543.801	6.209	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408969946	XNEQTWHQZQYDRZ-BIQGZBDESA-N	738.293	8.287	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1	408972250	QJGGMOUVYLGZCG-AMMWSMQKSA-N	604.534	6.526	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c2ccccc2)cc1	408977440	DJLSGGNLWFGFLV-YLSWKDTQSA-N	568.674	5.697	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408978262	HLKXAWKJNAZJHH-UJEJHLKSSA-N	506.389	6.265	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C)c1ccccc1	408980982	UPTIIPGOSILGEC-FUGGPRTCSA-N	585.686	6.481	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408990774	LXUOYJCPPPTYAU-INOZVXBCSA-N	525.690	5.547	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1	408999145	SRCNRGANDMCJBT-KCSSXMTESA-N	586.442	6.002	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1	409020403	OWOUOHXCYWRKGY-IHELAITMSA-N	620.709	7.601	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)cc1	409028890	SNWKRUXZLCSOGH-ZCTHSVRISA-N	593.547	5.765	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409074984	WCHSKONKJDRAPB-MHWRWJLKSA-N	654.720	5.965	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C2=C1CCCC2=O	409140926	HAIOYOBAJOUOQX-NRFANRHFSA-N	655.249	5.344	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OCC)c2)cc1	409151590	CIVZLSUZDYVIMX-WCMJOSRZSA-N	587.460	5.287	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)cc2c1	409185049	QPXUXJWNIGPFMG-QDTIIGTASA-N	711.250	6.292	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(I)cc4)c(I)c3)cc2c1	409186368	BANSLDSYLJVFKP-MUXKCCDJSA-N	666.253	6.384	50	40	KKGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c1	409187885	VPFNYOADHLLFGC-VYYCAZPPSA-N	561.274	5.386	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409219894	WHSRXELNDMVMSB-UHFFFAOYSA-N	611.279	6.991	50	40	KKGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)cccc2[N+](=O)[O-])ccc1OC(C)=O	409222559	FAXDTKXHYMKAKL-OHUYPAJKSA-N	610.579	5.073	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409225145	OXNZZZAHNLPFPO-UHFFFAOYSA-N	541.991	5.892	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	409228031	SSLHJRKPNSPMAB-RHLNUJDMSA-N	525.830	6.474	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409256654	MPQQPNACBZEGJK-NUJZUDFISA-N	650.311	5.851	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409256990	QYWCXQBYBLSXMZ-APTWKGOFSA-N	561.667	6.644	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409270737	HVWGPZGJHBWHBD-MTJSOVHGSA-N	548.437	5.946	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409310860	WZVTWTVOHLSXSY-SFTDATJTSA-N	568.866	5.155	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OC	409325917	CVPGAWZAWKWORR-LJUMEUDFSA-N	554.043	5.626	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)cc2c1	409335519	JJIZLDCNMAMLNE-AQLQTECXSA-N	606.300	7.642	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)ccc4OCC(=O)Nc4ccc(F)cc4)cc3)cs2)cc1	409363240	KNFGOMWXUOJTPE-QMRORBIVSA-N	614.102	7.436	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1	409366082	XWCPSUFNNZTNGJ-APTWKGOFSA-N	541.579	5.585	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409369990	IXAMIBATKQFQNY-MOSHPQCFSA-N	519.985	5.619	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409372727	HZYBJYCCCBVPQJ-IURWMYGYSA-N	637.155	8.023	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl	409374103	YFEONTHFUQMNJJ-QDTIIGTASA-N	581.250	6.335	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl)Nc1ccccc1F	409382086	KYTLIZSDDSNMRN-ZRGSRPPYSA-N	504.743	5.023	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(Cl)c(Cl)c1	409384496	CUFABZZTTXJBTF-XODNFHPESA-N	544.416	6.858	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)[nH]c12	409394444	AMJGZARRWWMCMX-UHFFFAOYSA-N	721.203	7.977	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)c(-c3ccccc3)c2c1	409394450	ANVNYPJBNJOPIO-UHFFFAOYSA-N	675.377	8.050	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409395017	IWSFMYHTXPXJSY-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccco1	409395535	OVUILTDHDVDUEF-UHFFFAOYSA-N	607.258	6.936	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC(C)=O)c(OC)c4)c(OC)c3)c(-c3ccccc3)c2c1	409396683	ACIULSIQHVLZKJ-UHFFFAOYSA-N	607.619	5.769	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396686	ADBKVKCTBFVQFM-UHFFFAOYSA-N	591.973	7.499	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409396977	DNKUATBKXYMXPH-UHFFFAOYSA-N	596.854	7.770	50	40	KKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409400220	CBSAEWLKCSQONN-XVIDZLOXSA-N	598.925	7.623	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)o2)cc1	409405320	SUGJBWXTLRKVQG-HQDYHJHZSA-N	599.043	7.171	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1cccc2ccccc12	409407330	ZKHGVTYFINCDFN-MDCVPAOJSA-N	757.479	9.296	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)n2-c2ccc(Cl)cc2)cc1	1885765	LTPBAEGAGVYVIO-BIZUNTBRSA-N	570.074	6.631	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1	2213640	FNEXYJVYQFLUPB-GOHCDNDPSA-N	522.457	6.675	50	40	KKGB	
CCN(CC)C(=O)/C(NC(=O)c1ccccc1)=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1	3143312	SCMGSAAKDFVODF-FLWNBWAVSA-N	522.585	5.668	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	8398191	UEGVSSQXZQSONK-NVMPUMLXSA-N	592.117	6.215	50	40	KKGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1	8861164	SJGOTJKONPZQER-IHQYTQDJSA-N	513.550	5.028	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCc1ccccc1C#N	8875122	ZAWGTAYANPGENP-VTNSRFBWSA-N	513.981	6.428	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1cccc2ccccc12	9310563	FJHDYAOLSFUQOZ-FYJGNVAPSA-N	510.391	7.130	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1nc2ccccc2s1	9368908	INVZKFHOBNWBTP-HEHNFIMWSA-N	515.616	5.364	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	12250854	HKTMJDUNDYPBTA-AREMUKBSSA-N	516.573	5.671	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)s1	13548803	BMQSBGCCWGTQDD-RWPZCVJISA-N	520.014	5.024	50	40	KKGB	
O[C@H]1CCCC[C@H]1Nc1cc(Cl)ccc1SSc1ccc(Cl)cc1N[C@@H]1CCCC[C@H]1O	16385187	BSRKUWPLOROVET-YHBROIRLSA-N	513.556	7.224	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)CC)CC[C@]4(C)[C@H]3CC[C@]12C	70692173	QPRLUWUASKOVRZ-RLSCSOTISA-N	507.268	9.962	50	40	KKGB	biogenic
COC(=O)c1ccccc1[C@@H](Br)C[C@@H](OC(C)=O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1	77270467	HSBFIKUWWYDDPH-QDKMTBKMSA-N	578.890	7.976	50	40	KKGB	in-vitro
CN(C)c1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc(N(C)c2ccccc2)n1	98008933	LJSICVZDZYLPGE-UHFFFAOYSA-N	504.578	5.515	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1	98050531	QKZAMZQQQAUSAU-HHHXNRCGSA-N	548.495	7.253	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Br	100049371	DQOSPCRUWBYJJX-UGWJVXAQSA-N	604.482	5.660	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1	100257670	UHHUGRWGECKBHU-BIZUNTBRSA-N	541.475	7.271	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1	100394266	JLYYHAXYIRGYLC-OGUPRHQYSA-N	609.358	7.087	50	40	KKGB	
N#C/C(C(=O)N1CCCCC1)=C1/SC=C(c2ccc(-c3cc(Cl)ccc3Cl)o2)N1c1ccccc1	100878995	SOCNLCYHGHLJDW-MEFGMAGPSA-N	522.457	7.553	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccccc1Cl	101304964	PPBZNMCZHGKRMT-RUZDIDTESA-N	536.097	5.918	50	40	KKGB	
CCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCC	103651349	KPELOSDOWOWZSG-UHFFFAOYSA-N	522.899	11.799	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)c4ccc(Br)cc4)c3C)sc3c2CCCC3)cc1	103866961	LNDMMDJJQDHVIF-ULJHMMPZSA-N	570.556	8.422	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc2ccccc2c1	103890099	NTMSNERKPGVBIT-MTJSOVHGSA-N	582.281	8.042	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	103898224	VXMKRCKMIQETGD-XKJRVUDJSA-N	561.413	5.336	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc([N+](=O)[O-])cc5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	112255084	NOJPCJSJQHLRLX-AUJFUKTPSA-N	605.050	5.452	50	40	KKGB	
FC(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341986	YFXLVZFNAZIKAE-UWTATZPHSA-N	692.016	8.387	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	150427394	AVCDNNMQUVMPPK-MNDYBZJGSA-N	631.162	7.399	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408540806	BVEGOUDTXIYZTL-OYKKKHCWSA-N	526.545	5.335	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1	408545358	YFAZYXRTENGBDB-JAIQZWGSSA-N	511.315	5.641	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(C(=O)OCC)c1C	408547398	WGYPNQLWESUWED-FYJGNVAPSA-N	562.600	5.616	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550408	DNVUNDXYMJBHKI-AAPHRLRXSA-N	554.352	6.192	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2Cl)cc1	408551808	GGRQRRYSCJONMQ-XDHOZWIPSA-N	531.037	6.024	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1cccc(C)c1	408555260	WPARJVVNIZSGEG-CIAFOILYSA-N	576.516	7.093	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408570499	WADRTKJOILQLLE-DPNNOFEESA-N	592.186	7.334	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	408579063	CWFZCZUNJYOAKE-UDWIEESQSA-N	617.281	6.843	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1OC	408580675	QOTYELDXZVIGTB-YBFXNURJSA-N	529.228	6.872	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1Cl	408587596	GIRZXQBWOHMREB-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Br)cc1	408598836	KGBMQQIYVPAIAU-LGJNPRDNSA-N	624.229	5.704	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc2ccccc2c1	408599605	XGOYNBJAUKQKTQ-IPPBACCNSA-N	666.684	7.045	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1	408609462	RLWQEGNRACYUEC-HNNXBMFYSA-N	504.801	5.722	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1OCc1ccc(Cl)c(Cl)c1	408610273	NDTKDAFCVSZMBX-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nn2-c2ccccc2C)cc1	408726786	UTOUDCZPVCNQCZ-QNKGDIEWSA-N	500.602	6.499	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(I)c(O)c1	408737732	GAOZIJLCLGWVPF-OPEKNORGSA-N	569.168	5.241	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408746115	BRECHRLRQNQCDJ-SXGWCWSVSA-N	763.993	7.545	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1I	408746696	FUCROVUXHFZRTI-DHRITJCHSA-N	501.368	5.088	50	40	KKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Br)cc1	408747548	PKGPOIPMIKBABF-GHXNOFRVSA-N	551.578	6.579	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2I)cc1)C(=O)Nc1cccc(Cl)c1Cl	408759640	IMCBEMBYCFPANB-FOWTUZBSSA-N	592.220	6.161	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1	408764493	UBZYSQVIUXQJCY-LGJNPRDNSA-N	596.297	5.369	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	408779145	AMDGEHMKVUQPMC-ALQBTCKLSA-N	561.585	6.357	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2C)ccc1I	408783441	PEHYNRUIVYPTDQ-BRJLIKDPSA-N	521.786	5.190	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408787263	WBNVTHVYQXUPGD-YZSQISJMSA-N	579.314	5.256	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408788425	JYPGLAMPPMFOTE-LZYBPNLTSA-N	522.215	7.433	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1C#N	408790241	OFGKQQWLQBLIQZ-KEBDBYFISA-N	506.787	6.407	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c1	408793493	FCBIGWPZRHNXKN-UDWIEESQSA-N	506.356	6.099	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1	408793542	FGTXQPCTGQGOOZ-CAOOACKPSA-N	519.787	7.309	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408797021	QENNADOGVIXBNX-KEBDBYFISA-N	525.388	6.523	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccccc1F	408819718	SOUUXMDAFFFGDI-SXGWCWSVSA-N	703.087	6.922	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2cccc(C)c2)cc1	408827286	JANYNQIFPBJLPK-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408829657	MZVLYRLFMRWBPA-LPYMAVHISA-N	642.764	9.113	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2cc(C)cc(C)c2)cc1	408831395	QKGPIWPVDMRUJV-OXALXDSDSA-N	612.752	5.214	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)NCCc1ccccc1	408833064	SSQUDGZQSJXJPY-PLRJNAJWSA-N	560.075	5.590	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccccc1	408841009	FBQYZJPGIBNIBX-IBBHUPRXSA-N	540.567	6.186	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cc2cc(Br)ccc2o1	408854369	DHGZPMYBVGPJRT-FXMZOFOKSA-N	552.639	7.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408864449	VVIODWKKDBOCPV-GZTJUZNOSA-N	522.901	6.202	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(Cl)c1	408870127	VBWXQSLVSKFWNV-GIJQJNRQSA-N	579.800	7.645	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1Br	408873183	OECUMDXTFXOHOQ-KIBLKLHPSA-N	572.268	5.525	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408883507	VNHXHCVZGQVDRU-LFIBNONCSA-N	551.835	6.359	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408884176	XWTLOIJKYJNPRI-MHWRWJLKSA-N	566.260	6.378	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408887656	SFWXYYHRQRXPPL-CXUHLZMHSA-N	519.426	5.066	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)ccc1OCc1ccccc1	408906957	LBHSNXLELKMJJA-IBBHUPRXSA-N	584.016	5.253	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccc2ccccc2c1	408910023	VSAZDWUMYYXNOO-MNDYBZJGSA-N	644.307	7.259	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2Br)c1	408926204	WAZNGIMQMPWYRO-RQZCQDPDSA-N	595.118	7.952	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12	408945386	KOUHUIOVRJJYAV-YTTGMZPUSA-N	687.616	6.066	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1cccc2ccccc12	408962008	FKYKLTNRXVXBCE-WCMJOSRZSA-N	588.414	6.998	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408969698	SDVKMSFDAJVGKZ-QWXKDJDISA-N	607.332	5.800	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1cccc2ccccc12	408977365	VPYLXPNMYDARGL-WCMJOSRZSA-N	561.432	6.002	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1	408984285	INZNHCFONSUDSG-MFOYZWKCSA-N	578.663	7.437	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	409005678	JKYNCVTVJPDZKR-FXIXIHIJSA-N	596.039	6.290	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c3ccccc32)c1	409012501	IKLJSXLHAFCYMJ-UYENUBLSSA-N	641.599	7.258	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	409018585	NCYFNCURKFOKOY-BJUCDSOZSA-N	619.313	7.021	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1	409021562	NQZCPGGMNISTMR-YNFMAFFXSA-N	789.149	6.157	50	40	KKGB	
C#CCOc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)cc1OC	409032546	JFLMUCTXHZYKEL-STBIYBPSSA-N	561.379	5.291	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1cccc(F)c1	409036680	LHSMBTSTRHXRMF-DPNNOFEESA-N	552.631	7.044	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	409040829	USWPGCBGFWQSQW-AABVJFSESA-N	650.316	8.222	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccc(Cl)cc4Cl)(c4ccccc43)[C@H]2C1=O	409048263	NXWUIZGCTSVGLI-DLRSXMJLSA-N	641.467	5.877	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Cl)cc1	409132383	OIISSRSBOFRAMP-HSZRJFAPSA-N	527.802	6.004	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(I)c1OCc1ccccc1Cl	409145957	RAOOWWJASLWUCV-XODNFHPESA-N	592.817	5.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409165198	UQIZUTZDETVMJH-VVEOGCPPSA-N	601.885	5.143	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12	409181981	HHIFAQRTLSMHAL-BOWQLVFLSA-N	652.019	5.132	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OC(C)C)c(OCC)c3)cc2c1	409186505	CYWLPXSJCZGURX-MXAYSNPKSA-N	536.366	5.386	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)cc1	409190399	YIBARTMGHGHOCH-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409217393	CIIGNPIEWLIFLS-UHFFFAOYSA-N	617.412	5.601	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409227484	ZDTXIKPGJMQUOZ-UHFFFAOYSA-N	521.451	5.534	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	409228061	SXDXPRNLLWIYOU-COEJQBHMSA-N	514.629	6.201	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409233219	DNNHHWVURPVQRO-ZRGSRPPYSA-N	659.193	5.215	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409261083	AZXHNNRUYZAJRV-NVMNQCDNSA-N	603.300	7.026	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(C)c1	409270907	IOPLYCXRSHKLBF-XKZIYDEJSA-N	532.438	6.246	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Br)c2)ccc1OCc1ccccc1	409311509	GRZHRNVXPUWKOY-OHUYPAJKSA-N	593.905	7.423	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1	409325550	ZWEDDLXQMQGONW-QMRORBIVSA-N	613.976	7.801	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1O	409370768	DSMJALBRLIGXKF-OPEKNORGSA-N	583.074	6.023	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	409373229	PAFCGZJPYKOEET-IURWMYGYSA-N	548.253	7.805	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409393343	QJPJCBQJKODNAA-ZDLGFXPLSA-N	560.338	6.050	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)cc1	409395557	PAGVUSWJAFDZFB-UHFFFAOYSA-N	629.942	7.608	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1	409395781	RPTDJDSISIOTFF-UHFFFAOYSA-N	552.428	6.889	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409396890	CNHNPNFUIPIPHD-UHFFFAOYSA-N	533.584	6.225	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1cccc(F)c1	409403885	OJUCENNMZXALMR-AEUUOICLSA-N	612.614	6.665	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc(C(=O)OCC)cc2)ccc2ccccc12	1529548500	HRCCZGSCKKBAIY-AEOKGJMBSA-N	680.783	5.481	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1	1790684	HPOXYCAUIFFSFQ-CKVBZJJFSA-N	528.848	6.712	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nc4ccccc4c(=O)n3-c3ccc(C)cc3)ccc21	1812473	VWDIEPMSVPWNHC-HNSNBQBZSA-N	545.668	6.064	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CC(C)(C)C3)cc1CN1CCCC1	2103176	KYMIMOFOQWQRAW-HHHXNRCGSA-N	579.514	6.133	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	2188771	FJMCYPCBPCBSLT-OAQYLSRUSA-N	507.681	5.806	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3C(=O)O)nnc2-c2ccc(C(C)(C)C)cc2)cc1	4460697	RQZJYBWYKKPZDX-LQNQUEJISA-N	527.650	5.481	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(O)c(OCC)c3)cc2)sc2c1CC[C@@H](C)C2	6167158	CEEYRMVWQNDSRD-OPEQJANBSA-N	593.702	5.324	50	40	KKGB	
CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	8398044	YYFAVFIXUFRSAA-ZWZRKFHMSA-N	520.671	7.267	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	8406111	NIXJDDAJTWNLMW-XMMPIXPASA-N	535.069	5.683	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccco1	20136741	OIKFQDKJZBXKQM-RUZDIDTESA-N	513.619	5.665	50	40	KKGB	
CCCCCCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C	49823192	UHFDAENQNSFKSB-UAOBIYCZSA-N	685.087	11.864	50	40	KKGB	biogenic
COc1ccc(Br)cc1/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1	50861384	BTJVAKGAWSZRKJ-WKIKZPBSSA-N	543.874	5.752	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc(Br)c1OC(=O)c1ccc(C)cc1	97961098	WHMURGZDQMWTKV-WKULSOCRSA-N	533.378	5.608	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	98001364	IUMXFZWJHSRCCE-ORBVJSQLSA-N	768.876	7.247	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	98048616	AEFWUAKGQMDAJY-RUZDIDTESA-N	553.471	6.601	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	100227689	ZOLTUJABILXZGR-MTJSOVHGSA-N	540.357	6.550	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1	100227818	JHRWMTGBJQYFFQ-NDENLUEZSA-N	572.830	6.776	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cccc2ccccc12	100335479	BARSSMZEXFBKGF-ZVHZXABRSA-N	541.445	7.352	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc2ccccc2c1	100477849	CTXOKSOAYJVKGE-QCFMCPCVSA-N	536.591	7.637	50	40	KKGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Br)c(C)c1)oc1ccccc12	100527486	ZKTHHZBJHBKSAT-MUFRIFMGSA-N	538.398	5.565	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	102808969	WJEAWBOZGORXJU-MUUNZHRXSA-N	540.689	6.528	50	40	KKGB	
CC1(C)CC2=NC(SCC(=O)Nc3ccc4ccccc4c3)=C(C#N)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1	102930795	PFKPKNRSLNIWSF-HHHXNRCGSA-N	528.077	7.771	50	40	KKGB	
COc1cccc(N/C(SCC(=O)Nc2ccc(Br)c(C)c2)=C(/C#N)c2nc3ccccc3s2)c1	102931108	OZLYGMWFMBIJRW-LKUDQCMESA-N	565.518	7.052	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	103891040	RUIHWDNKFLEPPI-DHDCSXOGSA-N	571.085	8.187	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104699476	SSLYKRMKDCNOID-XXSLDRHPSA-N	536.528	7.841	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)OC)c3)o2)c(C(=O)OCC)c1C	105483147	SQIRRUDSONCJAV-CPNJWEJPSA-N	535.574	5.175	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc2)S(C)(=O)=O)cc1C	105653184	SPAHQQRIBOZBGM-UZWMFBFFSA-N	541.673	5.613	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	109242365	ULQWBIVSDDNXBE-UWVJOHFNSA-N	561.206	7.121	50	40	KKGB	
CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341778	DAYCMMIMPLTFPC-KRWDZBQOSA-N	884.431	13.941	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	150433688	CRCMFSKFHJFDRI-DPNNOFEESA-N	645.634	6.867	50	40	KKGB	
COCOc1ccccc1[P+](Cc1cccc(C[P+](c2ccccc2OCOC)(c2ccccc2OCOC)c2ccccc2OCOC)c1)(c1ccccc1OCOC)c1ccccc1OCOC	219795330	SIGIOPWMOQPUTJ-UHFFFAOYSA-N	989.048	8.571	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12	408534606	WEIRRYGSAVXRJA-VTNSRFBWSA-N	546.465	6.451	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2Br)ccc1OCc1ccccc1	408538888	QYNYBEFPJVPLQH-MYYYXRDXSA-N	692.404	8.323	50	40	KKGB	
COc1cc(COc2ccccc2/C=N\NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	408540387	RDKMWGJQHBOWJW-HQDYHJHZSA-N	534.534	6.636	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(C(=O)O)cc1	408545480	ZEDPLVJEJXPUBK-NVMNQCDNSA-N	641.630	6.891	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)c(C#N)c1C	408547419	WPHZGZUNPQUADG-AWNIVKPZSA-N	544.372	6.299	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552612	KHKCEIUFTQSVMI-OVCLIPMQSA-N	528.779	6.878	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OC(C)C	408554653	SOHVLSFSFIQTJW-CXUHLZMHSA-N	561.445	5.835	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1cccc2ccccc12	408567535	OLXJLJPQMUJMTD-QXUDOOCXSA-N	567.483	7.426	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OC(C)C	408570805	YUMNYMHBDAVHGQ-DHRITJCHSA-N	539.517	5.643	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408587147	RCQHUNMWMYDFMU-SOFYXZRVSA-N	558.086	8.714	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1	408598620	GDLBJKRNCYYOTF-YBFXNURJSA-N	540.870	7.613	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408672895	PANZOLCSBXEYDC-BDACHGGBSA-N	574.313	5.346	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1Cl	408725093	JAHRTSFMKXCWRA-IPBVOBEMSA-N	613.235	6.068	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2c(O)c([N+](=O)[O-])cc4ccccc24)cc1)CCCC3	408733117	WHEXFWICMZTNAL-FJEPWZHXSA-N	553.600	5.165	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408746232	CSDUXKKLSJDFSH-MNBJERMJSA-N	594.303	6.177	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(I)c2)c1	408747116	ZSKIXKVRNBTLMU-OYKKKHCWSA-N	574.418	6.968	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408756257	YKASVWCELSBZDU-PXNMLYILSA-N	656.087	7.080	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408771896	IYNDSIKICAMMBL-JAIQZWGSSA-N	536.382	6.107	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1cccc2ccccc12	408795043	KWHINSMWTUSBTG-HZHRSRAPSA-N	512.993	7.025	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(I)cc1	408796207	ONPMALZPIMKMPX-YBFXNURJSA-N	558.803	6.386	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC(C)C)c(OCC)c2)cc1	408797201	BTKPCNANERVNSE-GZTJUZNOSA-N	520.367	5.421	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(F)cc1	408798608	WACZXVYXCXZFKU-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)c(C)c1	408799633	ZSSJJZATHRLXMB-ZMOGYAJESA-N	684.315	7.791	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1	408818782	OWFMNYSVTFXDTJ-GRSHGNNSSA-N	776.150	6.311	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OC	408823212	NEDMTJSAUHPBLH-XDHOZWIPSA-N	541.829	6.634	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1OCC	408837248	AWLCGIXJWSTWDH-VUTHCHCSSA-N	553.706	5.026	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839336	QVKWYGWWPCGXBI-FJEPWZHXSA-N	565.507	8.369	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839757	WGQBLQKLYAWVPN-PTEHHBOZSA-N	825.297	9.413	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408842876	LNAXIJHWGOVGJW-YSYOEVFLSA-N	757.481	9.515	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408843029	CWBXCVXFSPWOIQ-QJOVZPHJSA-N	584.503	8.111	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408846834	RLVZUQMYGYODIJ-VFLNYLIXSA-N	634.781	7.895	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1	408847096	LIYDTQDIXWBOKQ-FUGGPRTCSA-N	561.107	5.718	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)c2ccc(C)cc2)cc1	408861467	AYONHSCTCTXATF-QUPMIFSKSA-N	523.724	5.772	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1cc(Br)ccc1O	408869787	UFPYTUZSQHFSIF-MWOMOUDGSA-N	592.449	5.121	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cc2)CC1	408876797	NYGDARKLBXIVJD-FADJLKOXSA-N	549.719	5.806	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c(OC)c1	408882514	OPSJCWAFCPOFGK-WGOQTCKBSA-N	501.586	6.083	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Br)cc1	408903849	AHKMIUHBUIJDSN-BCHBDCPOSA-N	617.206	5.907	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12	408908188	UVPNQSQQZMRHSA-WCMJOSRZSA-N	545.970	5.858	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924742	OBDOPUVJGWMAPX-LICLKQGHSA-N	593.967	5.639	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408950314	RXKIMMWZZCCEFB-PMERELPUSA-N	650.588	5.881	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	408971954	MRZIRHXUYCIORO-SQEMJAKJSA-N	526.431	5.078	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc2ccccc2c1	408978292	HVFWQPDSKKYHGA-WTAXBKJTSA-N	514.629	6.259	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccc(Br)cc1	408997855	OJFCOKZHAWVOKW-LQKURTRISA-N	532.350	5.278	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cc2cc(Br)cc(I)c2o1	409015422	ZSNLFLMCIARDDV-FOKLQQMPSA-N	550.150	5.060	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Br)c1	409040321	YHIIYLUTANFJAH-HQDYHJHZSA-N	629.352	8.078	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)cc1	409042816	XWIAXIWXLXEYAN-ATAITKIHSA-N	624.524	6.749	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)C2=C1CC(C)(C)CC2=O	409143847	NOTUKJWNSDCULS-SANMLTNESA-N	600.941	6.073	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Br)cc1	409144026	NBTZSMRDUIPDJT-HHHXNRCGSA-N	580.523	5.809	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	409220151	UUKLWGCCZCLRSZ-OVCLIPMQSA-N	535.214	6.863	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC	409223133	GPNKOQQHWPYWKA-HQDYHJHZSA-N	602.043	5.910	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccccc1C	409253110	GCVYJFBTNDGCNG-VCHYOVAHSA-N	588.380	6.348	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409266467	XARNVAAWIOKESK-XESQOAJGSA-N	516.812	5.729	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409271042	JRLNOQREUCKVAC-ZDLGFXPLSA-N	520.929	5.128	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)cc1Cl	409271262	TVZBWGGXVYFOHZ-NOPDUFPGSA-N	699.447	9.257	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	409271329	UWAVWRYFUVPPJK-LGJNPRDNSA-N	564.221	5.195	50	40	KKGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(Br)cc3CC)=C2C#N)cc1	409317373	PIHBMJHUWBIWOH-FQEVSTJZSA-N	528.472	5.429	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1cccc(Cl)c1	409317717	RLSIEJJMWWTXSZ-MUXKCCDJSA-N	503.382	5.752	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OCC	409319520	HNVNZOQYDGLPMU-UHBFCERESA-N	665.322	6.369	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	409323988	QKCJBFYVNYBHHW-CAQPMQTCSA-N	604.457	6.678	50	40	KKGB	
COc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(I)c1OCc1ccc(C)cc1	409324383	TYPKLZRKCYYSIM-OEAKJJBVSA-N	531.393	7.405	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409385276	HEZCWEAUOXMJCV-WQRHYEAKSA-N	536.382	5.035	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cccc(F)c1	409389457	BCTQOHHAVRMUHG-IDUWFGFVSA-N	626.163	6.586	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc(I)cc4)c(OC)c3)[nH]c2c1	409390498	DKVDSSTXGODOKF-MFOYZWKCSA-N	616.253	6.590	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394542	BWTAILHJFHCWOV-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cccc4c3-c3ccccc3)cc2OC)cc1OCC	409396726	ALZMWCVRINERIS-UHFFFAOYSA-N	612.082	7.277	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)cc1OCC	409397498	KMSSLHBXFWBZMK-UHFFFAOYSA-N	600.046	7.408	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)Nc1ccccc1	409400780	QWVQNOPECBODGH-WBIBEUCMSA-N	627.097	6.710	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccc(Cl)cc3Cl)o2)cc1	409404908	RIKDCXIUVAPAMZ-AEUUOICLSA-N	588.491	7.916	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OC	409410630	YWCNUNGDRFWGBB-KOKCXWAISA-N	658.107	6.928	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(OCC)c1	1529549469	ZUUSECKRWSVHEN-NZBLFOEUSA-N	716.054	5.965	50	40	KKGB	
COc1cc(Cl)cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1O[C@H](C)C(=O)O	1531386418	LIJOXTNWJYFGFR-DMKVLWIMSA-N	566.010	5.544	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	2280552	JWFMNJDHCYMCJR-XSFVSMFZSA-N	517.006	7.359	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	2299439	HKLNJHQVEKMZJO-AREMUKBSSA-N	533.053	6.256	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc(C(=O)O)cc1)=N/NC(=O)c1ccccc1	8665790	CXRMBSIXGHDRIL-UTMIZZEPSA-N	507.554	5.202	50	40	KKGB	
Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccccc3OCc3cccc(Br)c3)cc2)n1	8781358	NDXZWWAJENZNRP-MUFRIFMGSA-N	517.427	5.654	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1	12463609	VCZSAZMDBMZBME-QJXMJWHHSA-N	518.353	5.407	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@@H]1c1ccccc1	20170563	FMBPZRLIAFBBTR-LJAQVGFWSA-N	521.642	6.210	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3F)nc3sc4c(c3c2=O)CCCC4)cc1	32577026	SLUSXDOQQMHGBJ-MUXKCCDJSA-N	506.628	5.016	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccc2ccccc12	60028488	WKXMDKURZGEARE-KUIVYHCLSA-N	626.713	6.445	50	40	KKGB	
Cc1ccc(-c2noc(CN(Cc3nc(-c4ccc(C)cc4)no3)C[C@H](CCl)n3cc(C)cn3)n2)cc1	69659350	XNOMKJYEYBVXEB-QHCPKHFHSA-N	518.021	5.391	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C	97980837	ALELSFHRXPGQNJ-CHSHITCJSA-N	599.171	8.493	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	97980926	NSAGJQSOJQZYMN-UXGIKXTQSA-N	589.058	6.699	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl	100118950	ZYVFSLKGQXESTH-JIDBWQTOSA-N	577.537	6.939	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1ccccc1Br	100120310	PNXGYKAMLSXTQP-QNKGDIEWSA-N	570.535	5.943	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccccc2F)cc1	100124009	DYOOGOILJCUTKH-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cccnc1	100376890	IYRRVBLHZOEDFQ-RGXNXFOYSA-N	521.418	6.733	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1	100902865	JSDHYVNETDFYQO-UTDQILSNSA-N	528.848	6.712	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	103633424	ZCLNSPJXYLSBOO-MNDYBZJGSA-N	542.419	5.970	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCc1ccc(Cl)cc1	103857777	FNVXJDFMBBYTQP-FOKLQQMPSA-N	526.783	5.358	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](P(=O)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	118922908	CIDIPMDBMBDYOH-RBLDAARPSA-N	570.842	10.411	50	40	KKGB	
O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1ccc(C(=O)N/N=C\c2ccc(N(CCCl)CCCl)cc2)cc1	150384657	IJFFQBLNPZTBAM-XEMPJQOTSA-N	650.438	5.782	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1	150452425	UZFGVQLCPZREMS-UUWRZZSWSA-N	695.241	5.238	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164698074	ABBLKRZGOJIPMA-STZFKDTASA-N	754.204	6.493	50	40	KKGB	
O=P(Cl)(Cl)N[P@@]1(Cl)=NP(Cl)(Cl)=N[P@](Cl)(NP(=O)(Cl)Cl)=N1	263621558	YOWYBYNFPCUWSG-WOJBJXKFSA-N	542.543	9.144	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	408540699	AZEQFDVUGOWMTP-JMIUGGIZSA-N	508.324	5.497	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccccc1Cl	408548858	MHMLYUNLERPGFW-QRVIBDJDSA-N	504.811	7.907	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCc1ccccc1	408553094	XBXYKWKJLZBQEW-LFVJCYFKSA-N	523.658	6.750	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(C(=O)O)cc1	408567875	GPPIEZFWESUSAL-IUXPMGMMSA-N	569.330	5.657	50	40	KKGB	
CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)cc1	408569481	OFFVIVVJITZCNK-RDRPBHBLSA-N	507.725	6.444	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)c1ccc(Cl)cc1Cl	408580688	QWMXWOAHAZEYSY-MHWRWJLKSA-N	502.195	6.838	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1cccc(F)c1	408581117	UUFCTQRNFTUJSL-FRKPEAEDSA-N	554.186	7.389	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408643203	FUGTWTIBVVKYBF-FSWHVFAWSA-N	622.741	5.055	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408646868	JALUXOPZJNTVGN-UDZALUMHSA-N	749.239	6.231	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408653024	PMKNVWDAGSWWTH-OPYAIIAOSA-N	537.802	5.321	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)sc(C)c1C	408747493	OSWMEEIJYRGKGX-UNOMPAQXSA-N	526.456	6.257	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408753697	BOYVVKBASOLRBN-VWJSQJICSA-N	601.379	7.340	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	408765644	MVHXNSRCWVOGHE-JFLMPSFJSA-N	504.340	5.853	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1Br	408766189	SJBSNZSPVRWQQP-WUXMJOGZSA-N	576.026	5.761	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OCc1cccc2ccccc12	408767344	ZMQAIFSSESUYDK-HMAPJEAMSA-N	700.314	7.572	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(Br)cc1	408767840	PRRPAPIZNDKWBN-MFOYZWKCSA-N	522.237	5.621	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789736	KQCWMARXLITJBJ-WPWMEQJKSA-N	579.483	8.850	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408790214	VEBQYEAQKIUHCT-OMCISZLKSA-N	676.563	8.447	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)c(C)c1	408792259	AGGDRRXOAYAKBA-VXLYETTFSA-N	666.151	7.558	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1	408792681	BXQXMYSYPVANFJ-ZVHZXABRSA-N	545.422	7.448	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408792874	LWODDNQTAIQGDQ-KEBDBYFISA-N	621.302	7.738	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Br)cc1	408807690	DNEARMPXMRYNIE-UCQKPKSFSA-N	596.319	6.751	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccccc1F	408820160	VRPCUMIJKDKVND-BOPFTXTBSA-N	516.285	5.694	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1C	408825283	RVEPQXCEPZRVCL-ZTKZIYFRSA-N	573.092	8.814	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	408831964	IAIRJFIPOIPIBG-VWJSQJICSA-N	636.941	6.412	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4ccc(Br)cc4)cc3)cs2)cc1	408838276	DBUFLCJJJZYAPZ-DPNNOFEESA-N	597.538	7.968	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408839007	LNGHFLDFXFSHAM-FUAVBRFPSA-N	568.029	6.374	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(C(=O)O)cc5)c4C)cc3)cs2)cc1	408839374	RHXKOECXFBWAHG-VTNSRFBWSA-N	549.656	6.732	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4ccc(C)cc4C)c3C)sc3c2CCCC3)cc1	408853303	QYLLAMOZYHHLCY-OHUYPAJKSA-N	553.732	7.368	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1OCc1cccc(Cl)c1	408863216	QFYYDVFOOYTDRP-PEVLYRSMSA-N	600.140	6.856	50	40	KKGB	
C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1cccc(NC(=O)c2ccccc2)c1	408864171	STKYOGQIRPBFSH-UDRUIPQISA-N	548.668	5.867	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408872597	GZPPYKYVMXWBKZ-YDZHTSKRSA-N	550.440	6.752	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1Cc1cccc(F)c1	408872913	LFLBGRPMWYWLDN-MFKUBSTISA-N	585.473	7.702	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1Cc1cc(C)cc(C)c1	408873441	RKCAERDBGQQGCT-SSDVNMTOSA-N	584.885	7.405	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(OC)c1	408876376	LCBQZTWZPXPEQE-RGVLZGJSSA-N	525.830	6.798	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(OCC)c1OCc1ccccc1C#N	408880046	IJPQRQXPRDFIQY-JFLMPSFJSA-N	537.616	5.505	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cc(C)cc(C)c1	408881676	NYZJDXXJPJEPFC-SRZZPIQSSA-N	620.409	7.450	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OS(=O)(=O)c1ccccc1	408888462	VRZHWINTUZOXLM-LFIBNONCSA-N	596.286	6.468	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1	408891774	VEIYYXBTMFVWMX-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408894490	IIDHTHZEEASJLG-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br)c1cccc2ccccc12	408898127	KSQZSINHSXCYMO-KEIPNQJHSA-N	579.450	6.208	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2C#N)c(OCC)c1	408952434	VWEPQKANGNCRMJ-SSEXGKCCSA-N	753.619	5.026	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408961219	LJMZSGGCTXRGBY-RPPGKUMJSA-N	559.291	5.428	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccccc1Cl	408969218	JLLLDHQOWOGLAP-NIVXUIPCSA-N	566.098	5.686	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969433	NKKIAKLTKFNFCY-ZTUJDWAQSA-N	660.336	5.067	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1	408989134	HBGLWYBDXILBTI-DJOFWNBFSA-N	613.677	5.852	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl	409003592	SZVSTNVIQBHNCG-OLRVCAPHSA-N	637.317	7.391	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccccc1F	409017766	HFSBPCMUJFIHRX-DBFSUHOCSA-N	545.792	6.729	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1	409028271	KUDJPRXIVUMVCY-RUMWWMSVSA-N	561.063	5.328	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccc(C)cc1	409032563	JHRXGKZLKYIVOX-FABQOPTDSA-N	583.113	7.867	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409217190	AJHSICYAQBXHDO-BSEMVRIQSA-N	518.740	5.938	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1	409222105	BCEUMHSCOFVRQL-UHFFFAOYSA-N	714.208	7.518	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCC(=O)Nc1ccc(C)cc1	409233486	KSKPRQHQOZYXEI-UYRXBGFRSA-N	509.484	5.586	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)c1	409247452	CIFKVZCDIFGQDU-RODHXAHZSA-N	733.486	8.477	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1	409265979	VNKHHWVINHSXGT-NDENLUEZSA-N	611.436	5.488	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409268364	ZFMWQUJMKPTMMV-YDZHTSKRSA-N	609.464	5.548	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1OCC	409309638	KHFOAFGDOHPUCX-YKQZZPSBSA-N	555.469	6.378	50	40	KKGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)=C2C#N)cc1Cl	409325564	ZCUZFZKAVFMHJB-ZDUSSCGKSA-N	530.355	5.731	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccccc1Cl	409365061	PTTJFTFHZKIKNX-LSCVHKIXSA-N	545.760	6.325	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1	409365592	UKIQBORJOMWYSH-LDADJPATSA-N	568.399	5.559	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372113	RZGXUVFFIFJDNX-IUXPMGMMSA-N	640.069	7.368	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Br)cc1	409372546	LQEGYBYZVFRQLT-VYYCAZPPSA-N	638.256	5.632	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)cc1	409375467	LGGGVCSMBCNJAV-DEDYPNTBSA-N	534.410	5.638	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccccc1	409390854	FZRJGHHCAFXZOW-RGXNXFOYSA-N	590.461	6.551	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(OC)cc3)[nH]c12	409396430	YHZPWNYZGDXQGQ-UHFFFAOYSA-N	596.481	7.152	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409396920	CZFXAKTUVBSVLW-UHFFFAOYSA-N	590.001	8.053	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397166	HAWYBSUTIDEOTH-UHFFFAOYSA-N	521.548	6.274	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397654	MJHYYZAOIKFUCB-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409399234	YNFJCNGNWKJWAU-UHFFFAOYSA-N	580.084	7.741	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1cccc(C(=O)O)c1	409399981	ARTPASSRDOIEKK-PQKVGRGHSA-N	647.728	7.434	50	40	KKGB	
CC[C@H](C)Oc1cc(N(C)C)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409400402	CURDCDFEEKVBRC-APRMSGGFSA-N	528.653	6.273	50	40	KKGB	
Cc1cccc(COc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cccc2[N+](=O)[O-])c1	409401132	GNPCNLULPFEQNV-FZKWRIDDSA-N	578.625	6.826	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(Br)c3)o2)cc1	409405449	UBWJESZZDQHKMR-RODHXAHZSA-N	711.838	8.787	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409407102	YXWMTSADTSTWTO-KMUKQRDJSA-N	621.650	6.264	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](OC(=O)c5ccccc5)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(O)C1	575624719	TZBBEXALLZOART-ATJPUPCUSA-N	533.503	5.675	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c([N+](=O)[O-])c1	1529549154	SYWIEIPDVBKJIP-QLGGRFKNSA-N	761.449	5.584	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	1529549237	WMQGDAAUYQMOLX-UUTVKSQHSA-N	627.550	5.457	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	661060	UHFBLNOUTUKPSR-NRFANRHFSA-N	520.210	6.150	50	40	KKGB	
Cc1ccc(NC(=S)NNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(C)c(C)c2)N3)c(C)c1	2793939	AGUBKZSRNPFQBR-FPOVZHCZSA-N	516.593	5.408	50	40	KKGB	
CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1	3142928	JUZXCYBWRLICEM-NDEPHWFRSA-N	506.606	5.563	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C2CCCC3=O)sc2c1CCCCC2	3666600	VMZDIKWCDJEFGL-JOCHJYFZSA-N	508.043	5.762	50	40	KKGB	
CC(C)(C)N(NC(=O)N[C@@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1)C(=O)c1ccccc1F	8453176	ZIPKFNVXDBLSMU-MUUNZHRXSA-N	575.577	7.331	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	9009965	OMMPEZTZPWARDM-RPPGKUMJSA-N	514.394	5.542	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cc1	33661861	LFANMOUCUOGINP-PGMHBOJBSA-N	513.550	6.407	50	40	KKGB	
CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1	38651504	TYKAKGGALMVVFL-VWLOTQADSA-N	519.395	6.065	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	59192787	JYLPSBVDGVNAIO-CTZKLECSSA-N	621.650	5.200	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)ccc21	97965716	GVMOZMQLYCRNGD-LTGZKZEYSA-N	536.617	5.259	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(Br)c2)cc1	98001456	OIZQFCNPEPPPBB-KKMKTNMSSA-N	625.111	6.031	50	40	KKGB	
COc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(OC)c3)=C(C#N)[C@@H]2c2ccco2)cc1	98048506	BDADKHDPTAYRQJ-AREMUKBSSA-N	530.606	5.003	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3nc4ccccc4s3)=C(C)N2)c1	98048547	HCYQQMBKTGQGOI-VWLOTQADSA-N	557.657	5.604	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1Cl	100119230	HZFIPDWSNMUFAD-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3C)c2C)Cc2ccccc2)cc1	100129163	BHLIIQCDCNGHOJ-MZFJOGFUSA-N	542.705	5.361	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	100142239	FVQBDHDHBMLTNX-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCCOc1ccc(C(C)(C)C)cc1	100229168	ZTARABRPHXCWHP-KEIPNQJHSA-N	615.756	5.946	50	40	KKGB	
CCc1ccc(-n2c(SCC(=O)NNC(=O)c3ccc(C)cc3)nnc2-c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1	100331295	NPDZBQJGWSCDMU-UHFFFAOYSA-N	626.764	5.159	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	100398349	XXFCDMHQIVFQMX-RUMWWMSVSA-N	562.091	5.303	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1	100991072	PHSDKRNJRVLTAM-MZOFLMDJSA-N	601.353	6.541	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1cccc(C(=O)O)c1	101749043	KEAKJYMAWWEHPG-BVMLUPFRSA-N	578.419	5.202	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1	102230175	GWHVWLIQLUTOIX-RQZCQDPDSA-N	589.773	5.986	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](Cl)CCl	103527177	NAAKRVOOMGQGNL-REOHCLBHSA-N	517.006	6.842	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)c1	103792610	URKOFGXGHLOPGR-KCSSXMTESA-N	540.689	6.368	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc(F)c1	103890617	UJXWKPIWETWWDU-YVLHZVERSA-N	564.238	7.418	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1	103895282	GNZOPUCDFMAXGH-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1	150364016	XWXZTENHAMDFTA-STZFKDTASA-N	648.490	7.850	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(I)c1	198305071	LTUZFDCVGTYFKT-RUMWWMSVSA-N	657.961	6.803	50	40	KKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc2[C@H](C)CC1(C)C	208317314	QSFFHQAJOWIFCM-SVLFYUKMSA-N	537.296	6.102	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c(C)c1	216041133	JFDOWAIGJRURTG-QDTIIGTASA-N	658.705	6.438	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2OC)ccc1OCc1ccccc1	408538966	SDDSYGPYLWORSX-YSMPRRRNSA-N	613.508	7.478	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1	408539167	ULNYALNDSQOBBG-NHFJDJAPSA-N	504.586	6.789	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1	408542887	OKOCZIVDPRAFRT-IUXPMGMMSA-N	593.204	6.421	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c(C#N)c1C	408546703	NFBNFQQZFVYDAF-VXLYETTFSA-N	522.985	6.195	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550728	GZMBEJNTFDDMJX-BOPFTXTBSA-N	544.822	6.609	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc2ccccc2c1	408555480	XQZHINMNQRYDPO-YDZHTSKRSA-N	598.522	7.548	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408569600	OVQGATQECPJJHU-UUASQNMZSA-N	594.211	7.265	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)c1ccc(Br)cc1	408580422	PKRMCNGOADBTGI-RQZCQDPDSA-N	626.968	8.380	50	40	KKGB	
O=C(NNc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408610964	VGFRCRWGLUNJNT-MRXNPFEDSA-N	549.252	5.831	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408659479	VWJVZWWJYRVSHC-VSKUHVEHSA-N	659.158	5.020	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccccc1	408731400	MCIWTJZUCSYCOP-UYKHCAHWSA-N	576.450	5.416	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc(Br)c1OCc1ccccc1	408739104	XNQZHCFJEGXYIO-AIEXUKEJSA-N	655.549	6.506	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)NCc1ccccc1	408748147	ZDPOGLFVLIGNGS-JAIQZWGSSA-N	539.329	5.002	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1cccc(Cl)c1	408761755	HJLPFGPAIVTMCF-GATIEOLUSA-N	539.655	5.802	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408762830	GMALCSKEUAGTEN-YVLHZVERSA-N	530.191	6.475	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccccc1	408764588	XPZQYLMZBJBWKP-HAHDFKILSA-N	517.423	6.701	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2cccc(Cl)c2C)cc1	408786519	RWVJHRNDLVSZKI-STBIYBPSSA-N	506.027	5.456	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1	408787795	GKAHRKZGXVEHQS-UDWIEESQSA-N	631.264	6.355	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(I)c1	408793082	CYGBTSULDJMHMZ-GIJQJNRQSA-N	546.767	6.517	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2ccc([N+](=O)[O-])cc2)c1	408801786	BQEAXCADWJWSMY-KOEQRZSOSA-N	535.556	6.307	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1F	408818722	QIENACARQIPONP-WKIKZPBSSA-N	544.320	5.528	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc2c(c1)OCO2	408819971	SFCPVCQGVNYCOU-MFOYZWKCSA-N	525.330	5.450	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408824416	QDODZZYGPQHEEC-HZHRSRAPSA-N	618.871	7.714	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2Cl)c1	408829065	WXZHMVBYIIHDGR-ZVHZXABRSA-N	577.895	8.659	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408830903	TZHJOUOMPVJLGN-KEIPNQJHSA-N	584.097	6.418	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)cc1	408838699	HGRQMEKNFOBYKD-PTEHHBOZSA-N	651.959	8.555	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1ccccc1	408839429	SCJFBHLNQDDCRB-MWBNBJEGSA-N	632.525	7.842	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccc(C)cc1	408839545	AKOJUFRQSBUWAJ-FMFFXOCNSA-N	556.732	5.927	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1	408853709	QXBKWOXIPRLRAF-OPEKNORGSA-N	584.106	5.911	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(Cl)c1	408860411	VBDABZLFJXPLJA-ODNPBWNPSA-N	702.613	6.343	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(C)cc2C)cc1	408868673	PNCOJQLRIFPBJG-BIZUNTBRSA-N	586.670	5.445	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1Cc1ccccc1Br	408876254	OFWCWFBMUWUHMX-VCHYOVAHSA-N	655.252	7.608	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1Cc1ccccc1Br	408880111	DGUSBAZJHIYIKE-LICLKQGHSA-N	591.218	6.338	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	408883387	RACQFBCGYLZUEG-KCSSXMTESA-N	639.086	5.190	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl	408886267	JHGQOMGJEQQYGN-IZZDOVSWSA-N	519.020	6.463	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cccc([N+](=O)[O-])c1	408891025	KBKKSACGXFVTFE-WYMPLXKRSA-N	627.176	5.147	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OC(=O)c1cccc2ccccc12	408891312	OLIZFGHVHAWTJI-WCMJOSRZSA-N	620.550	7.072	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408897056	QEGZAGXNIMLLFR-VCHYOVAHSA-N	526.774	6.444	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	408927077	ZMTJDVMZNFLSGL-LTGZKZEYSA-N	527.558	5.678	50	40	KKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)COc2ccc(Br)cc2Br)o1	408960054	IPXDCOGFOREUGZ-VROXFSQNSA-N	536.176	5.007	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408961177	BEPZKSVMEYEOIT-KLPHOBTLSA-N	590.223	7.516	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12	408969660	RQILZSUOGBYRMX-WOIKQWEWSA-N	564.469	5.800	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1	408991096	MSMSGVYRBYYYDV-DZTAGNETSA-N	644.134	7.234	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1	409000475	YJGWSRPVRNVSSD-RGXNXFOYSA-N	579.122	5.140	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(I)c1OCc1ccc(Cl)cc1	409050054	ZQQFFHYAOAXMOU-VFLNYLIXSA-N	689.719	6.089	50	40	KKGB	
N#CC(C#N)=Cc1cc(I)c(OCc2ccccc2F)c(I)c1	409082571	MMRNHVRPSQSSSU-UHFFFAOYSA-N	530.078	5.044	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc2ccccc12	409144115	IEZZJSPGPACPLD-MUFRIFMGSA-N	570.896	5.597	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(Cl)cc5)(c5ccccc54)[C@@H]3C2=O)cc1	409145152	MWFQQBAFMMCBIO-FJBJETHQSA-N	604.106	6.024	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1	409186632	FTQGLEMEKVJXNS-DHRITJCHSA-N	502.206	5.863	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1cccc(C(=O)O)c1	409215100	ZXVIIXHLNKNURZ-KKMKTNMSSA-N	610.857	5.473	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc([N+](=O)[O-])cc1	409215844	FSGBSUBKAFJICM-MTJSOVHGSA-N	658.233	7.600	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)c1	409223736	INVDMEMSXRUTIP-UHFFFAOYSA-N	662.493	5.719	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)c2)c1	409224332	KPMKVSHMESKZOU-UHFFFAOYSA-N	586.442	6.002	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)COc3ccc(Br)cc3Br)o2)c(Br)c1	409229447	PCUOHULVGNGASB-VROXFSQNSA-N	571.063	6.072	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)cc1	409254661	IIMDHEPDRKBKPJ-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2)cc1	409261634	CEBZQLLKJPZTBW-APTWKGOFSA-N	561.667	6.644	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3C)c(OCC)c2)cc1	409271945	WNLHGEWYJYLCNC-HYARGMPZSA-N	639.490	6.269	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409309413	GTPUHZONUQRQEB-RTWAWAEBSA-N	602.418	5.521	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1cccc(Cl)c1	409309722	LPXBFHPHWMQGNR-MUXKCCDJSA-N	547.833	5.861	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccccc1Cl	409310090	QEEHKMXRKBKNLX-BKUYFWCQSA-N	504.811	7.907	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1	409312630	MZJJUXXGTZVIEB-MZFJOGFUSA-N	524.573	5.705	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)ccc1OCc1ccccc1	409331146	FDOUPGQWJINEBT-BVMLUPFRSA-N	700.296	7.172	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccc(Br)cc1	409354871	BQXIVTCCKZCMDZ-LGJNPRDNSA-N	558.217	5.821	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(F)cc4)c(I)c3)[nH]c2c1	409374784	ZFZPXHIBHRJSMH-WQRHYEAKSA-N	509.322	6.258	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409381456	UIWMNQVKWKWZPT-CPNJWEJPSA-N	505.958	5.310	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(OCC)c1OCc1ccc(I)cc1	409390530	DXHABPDAYXIJPN-HMAPJEAMSA-N	591.449	6.946	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409395232	LHTMOWDQHLKGMY-UHFFFAOYSA-N	730.638	8.759	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409396152	WTYAHFLPISKBOV-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)c1	409397396	JJEPWGPTZBDJPO-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)cccc4c3-c3ccccc3)cc2OC)cc1	409397577	LKTARRWWPDSVSQ-UHFFFAOYSA-N	549.583	5.844	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397781	NZTBDIBVLSLFID-UHFFFAOYSA-N	556.018	7.026	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(OC(C)=O)c(OC)c3)c(-c3ccccc3)c2c1	409397881	OZUYXAFRNCXHJC-UHFFFAOYSA-N	577.593	5.761	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398564	UOUCOASCKWCWAQ-UHFFFAOYSA-N	601.490	7.199	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OC(C)=O	409399960	ANEGGODTAYRUQW-AQLQTECXSA-N	614.880	6.380	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409400065	BFCJFUFABFUMEZ-GZOMZLSJSA-N	659.114	7.239	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1	1875507	VPCFNMCAVLQZJJ-DPNNOFEESA-N	585.085	5.869	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1	2224352	CJQBXNPBVJRPRL-LQKURTRISA-N	507.015	5.070	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2nccs2)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl	2604574	KEUDYZPWVHJBIR-NPPFBWRTSA-N	585.054	5.402	50	40	KKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(Br)c1	2670127	HJZQKWKLNWWHSH-GZTJUZNOSA-N	511.397	5.909	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)[C@@H]2CCCC=C12	2758611	GMHJSOSAUBIFCM-YKSBVNFPSA-N	519.830	6.275	50	40	KKGB	
C=CCc1ccccc1OCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	8860839	GYVDMLBQBBMPNT-HAVVHWLPSA-N	517.423	6.490	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccc(I)cc2)c2ccccc12	9202559	AEIXORVEXMDSPS-JFLMPSFJSA-N	507.375	5.675	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1	9459666	FSTUPNAWHGZBMT-SCHJHDHGSA-N	516.066	6.639	50	40	KKGB	
C=CCCCCCCCC/C=N/NC(=O)CCSCCC(=O)N/N=C/CCCCCCCCC=C	17316285	ANDDBZHQWUWNMW-HCTXVGCHSA-N	506.801	7.317	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CCSc3ccc(Cl)cc3)c2C)c(C)c1	20243912	HULHGLZTELMNCN-MZJWZYIUSA-N	518.908	6.759	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cc(C(F)(F)F)ccc1Cl	59885277	XODDESCZYWYSKP-VVEOGCPPSA-N	574.408	5.508	50	40	KKGB	
OC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F	95681742	MGICORPGWNJZPY-VKHMYHEASA-N	554.031	5.547	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	97950416	WXMUBMADGYPWPO-MHZLTWQESA-N	529.065	6.355	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@H](C)CC)cc2)ccc1OC(=O)c1ccc(Br)cc1	97961770	KCYGZNXUDNXJSQ-ZXAKHJNPSA-N	553.453	6.110	50	40	KKGB	
CC(C)(C)c1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1	97972307	DPCCKCWFNMNTDM-PKAZHMFMSA-N	534.520	5.220	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccccc2F)cc1	100139234	NMSUUMXSFSXAFQ-ZCTHSVRISA-N	531.609	5.059	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	100229071	SQPDIZYABMVPOH-WUHVKPHISA-N	570.325	7.220	50	40	KKGB	
COc1ccc(/C=C(/C#N)C(=O)NC(=O)Nc2c(C(O)(C(F)(F)F)C(F)(F)F)ccc3ccccc23)cc1	100365249	JQPDMAMVFAYTAZ-VBKFSLOCSA-N	537.416	5.416	50	40	KKGB	
CC1(C)[C@]2(C(=O)Nc3ncc(Cl)cc3Cl)CC[C@]1(C(Br)Br)[C@H]2Br	100867868	ZQBBBBJIVCDGIO-VCTAVGKDSA-N	549.916	6.013	50	40	KKGB	
CC/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(OC)cc1)c1ccc(O)cc1	100881956	WAQNKZJUTXNLNG-ZXPTYKNPSA-N	543.693	5.969	50	40	KKGB	
Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1	100990610	XCDVITOUQLVFKB-UZEPBSNMSA-N	546.490	5.543	50	40	KKGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	102537355	ARVQVDZJCBAPMF-YQGNGIJASA-N	581.345	5.587	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(OC)cc3OC)=C(C#N)[C@H]2c2ccco2)cc1	102808269	AUJXPDXJTKMVQX-NDEPHWFRSA-N	574.659	5.402	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cccc(Cl)c2C)cc1	103902713	RJOROHJZRAABHV-KCSSXMTESA-N	607.088	5.790	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	112258364	KRAAWDBWMPMORH-YBFXNURJSA-N	562.445	6.084	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](Br)CBr	150341053	VQQUFCBIFOJLEP-UWTATZPHSA-N	705.922	8.425	50	40	KKGB	
CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CN(CCCl)CCCl	150373977	VFBRDXSMQKKJLN-MQBYHGJOSA-N	662.699	5.962	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	150440540	IKMSOPDEIYSOIR-LUOAPIJWSA-N	782.114	5.550	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	169795398	UNBBRCDUBWSDON-KBPBESRZSA-N	686.194	9.670	50	40	KKGB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@]2(CC[C@H](Br)c1ccccc1)[C@]1(CC[C@H](Br)c2ccccc2)C(=O)[C@]2(C)CC[C@H]1C2(C)C	245240192	OTDWURFYQOPABZ-ICSINDOMSA-N	696.608	10.842	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Cc3sc(C(=O)OCC)c(C)c3C(=O)OCC)o2)cc1	408546361	IGJOJGGTBBCQQI-XSFVSMFZSA-N	549.601	5.565	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551485	LBBJOIOPRMPAER-NVJOKUIPSA-N	565.797	5.735	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408579178	DERKLBWAPYIQLH-LICLKQGHSA-N	567.288	7.295	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)c1ccc(Br)cc1	408580245	NGWHYAZWGCDLMK-LDADJPATSA-N	512.201	6.293	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)cc1Cl	408604907	JDECDCCTPZDHSJ-INIZCTEOSA-N	534.827	5.731	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408605473	KHTVPUACHJQTHT-INIZCTEOSA-N	534.827	5.731	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1C	408612578	VUTDLCLYBOVXFM-XKJRVUDJSA-N	547.826	5.370	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408654837	QVQDGJLNBPMKRB-DAVHQJNUSA-N	720.823	5.639	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408724338	BSANUMQOLAJGAM-WQRHYEAKSA-N	527.802	6.244	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408725585	KWLPQBLEOCWKJU-NDENLUEZSA-N	583.382	6.031	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408734140	DMAUTUVMCYMDOX-WOJGMQOQSA-N	560.673	7.298	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	408760091	RKOVDUVKLUGLTP-PCLIKHOPSA-N	646.481	7.144	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408768246	VJNAOGAZTMAJLO-GRSHGNNSSA-N	572.786	6.076	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2cc(Cl)ccc2OC)cc1OC	408771490	GTYIRHBAPOVUBU-XODNFHPESA-N	586.881	5.018	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408791852	DKGYQRGZEJUXMX-MWAVMZGNSA-N	510.593	7.543	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc(Cl)c1	408808204	FMVHHGFEVWIVLU-XDHOZWIPSA-N	511.803	6.626	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408823330	NURHCWSSSMYVDW-FSJBWODESA-N	652.918	8.657	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1cccc(C)c1	408830820	YYHZCWGPZJHGMB-MFKUBSTISA-N	662.378	8.232	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408833596	UCQHPSPJEROFHZ-CVKSISIWSA-N	749.432	9.772	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1cccc(C)c1	408838857	JIMDVDAPQORRNT-MWBNBJEGSA-N	657.104	7.405	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)ccc1OCc1ccccc1	408839633	BLQIICZQBSCORP-QCFMCPCVSA-N	564.686	5.369	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408852125	INDNJKUSNWLGFU-KVSWJAHQSA-N	601.122	7.260	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408856040	HADKWAGVOLPWKW-MNBJERMJSA-N	591.303	6.754	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(OC)c1	408866805	IOLGDVLHDMRDJC-DJKKODMXSA-N	576.274	6.575	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	408867299	KIRUPBHYBNRCCC-NTUHNPAUSA-N	516.257	5.263	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	408882011	PMXJWVLUCDOOCQ-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(I)cc1	408891570	SNPCCELYJIZWOT-LDADJPATSA-N	514.750	6.069	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408894919	JTWFNSCTSVTMKF-WOJGMQOQSA-N	622.868	5.883	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904767	OIAOXOPIEFOYGE-CPDSRJINSA-N	623.257	7.362	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC2CSC2)cc1	408905896	APGLCGYJRFBJOZ-VVEOGCPPSA-N	584.041	5.199	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	408913898	UZTVGUDLEFBYMX-IBBHUPRXSA-N	568.017	5.739	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408944906	VZNJKYQTMCERDY-KVAAJVFYSA-N	646.980	6.576	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(Cl)cc1	408954653	ZJZQBHZVTJFCHH-MUUNZHRXSA-N	702.027	5.575	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408963824	PMKZGWDHVVCFSA-VFLNYLIXSA-N	613.330	5.960	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl	408968925	CVFVXTPDIAFHAT-WPZQDUKASA-N	625.380	7.328	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)c1	408997492	MRPJOPGOBZOOEP-VTNSRFBWSA-N	635.312	6.755	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c1	408998355	QCLSIAFGVZQKEY-FDAWAROLSA-N	511.965	5.884	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(C)cc2)cc(OC)c1OC	409000133	DUYFRVQKLWEYQQ-HNSNBQBZSA-N	567.598	5.256	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccco1	409003839	VKCDRSZWPWINIT-PPCGIRLPSA-N	558.388	5.677	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2cccc(C)c2)cc1	409004320	BVHQWGPXEGZBMW-VQDQCPOBSA-N	534.568	5.606	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccccc1OCc1ccccc1	409015444	NCBSQUHXUVEVPG-FMFFXOCNSA-N	596.536	5.956	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1F	409028503	ODRCRSTVMZIASV-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409042779	XSAZKMFDCCALFN-ATZGPIRCSA-N	601.501	7.798	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1cccc2ccccc12	409044748	OYGLJNGKRHRKKX-HASSKWOGSA-N	619.146	8.712	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(F)(F)F	409057346	KTRVDPKECWENIQ-VFLNYLIXSA-N	588.833	5.463	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409086007	UIRKBSYPLYUFTQ-BKUYFWCQSA-N	686.287	7.182	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	409126950	IGONMYKTPKBVRI-WCMJOSRZSA-N	681.383	6.351	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(I)cc2)c(Cl)c1	409129839	VBNZVSKNEXAQHS-NRFANRHFSA-N	532.765	5.338	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c(C)c1	409188722	FQJYTOACPSGFNB-NDENLUEZSA-N	540.255	6.953	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	409210725	GMRJIPUMIXWZGO-RPPGKUMJSA-N	580.831	5.464	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc(OC)c1OC	409221881	BIUOMTCIDJOJCA-UHFFFAOYSA-N	745.808	7.126	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	409222462	DETZFALEUZSDSC-NJVFWAMFSA-N	670.482	5.195	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)c2)cc(OC)c1OC	409226865	XLUUPDWPNWPPIB-UHFFFAOYSA-N	725.390	6.781	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409250406	LBEOTUMVJUQELE-UUYOSTAYSA-N	609.464	6.097	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1	409254801	ITKMNIPTHJDYIS-LDADJPATSA-N	631.854	5.915	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409254877	JGWCCYLAJYHHEW-RGVLZGJSSA-N	616.434	7.047	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cc(C)ccc2C)cc1	409258338	UNLQLJCKFSZHHE-JAIQZWGSSA-N	641.316	6.178	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)ccc1OCc1ccccc1	409317605	QNLZVRPOPSREPG-AEVGBRMKSA-N	658.029	8.200	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)ccc1OCc1ccccc1	409323783	QLUKGFAGKJAILB-DBSPGSINSA-N	686.546	7.774	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)Cc2ccc(Cl)cc2)c(C)c1	409372469	MBAKPRCFUZHSMH-QDTIIGTASA-N	563.463	5.168	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409387900	YEDJNVGPNSRBEN-FDAWAROLSA-N	527.646	5.119	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)c1	409394669	DKGSJJRBDYZIMI-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409395856	SNEBZHTYUSWPMV-UHFFFAOYSA-N	780.684	9.320	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396385	ONGXECNCKQEJKF-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccccc1C	409404533	QDZGXCOTKRYBGF-QJOVZPHJSA-N	606.679	6.365	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409406723	CGIBWAFYNVKOKX-FZKWRIDDSA-N	564.642	6.224	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)o2)cc1	409407417	ZROFPNNKKPGGMU-RODHXAHZSA-N	622.936	8.569	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2C)C(C#N)=C(SCC(=O)c2cccs2)N1	1023563	JGQRPSFFDOVQLU-VWLOTQADSA-N	520.079	6.661	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1	3086856	GXALVJGCAIQSNT-KCSSXMTESA-N	565.508	6.911	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1	3765383	MQJZFUAHLMTDKI-VVEOGCPPSA-N	525.943	6.585	50	40	KKGB	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C\c3c[nH]c4ccccc34)n2-c2ccccc2)cc1	9317245	AMCLUPNUYWTDLX-MNBJERMJSA-N	508.651	5.956	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccco1	13477503	QDHJUTURHJWBKU-MNBJERMJSA-N	520.626	6.140	50	40	KKGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1	18193391	SOBUFNPZTAANBB-ZAHVOKNXSA-N	501.630	6.308	50	40	KKGB	
COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	18272179	LFAORHPBEVPQJJ-CAOOACKPSA-N	510.466	5.312	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	20347498	OIIIFXFYSDQZKC-AREMUKBSSA-N	512.635	5.911	50	40	KKGB	
COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2	38145544	WPTTVJLTNAWYAO-IIHRHBSVSA-N	505.699	6.379	50	40	KKGB	
CCCCc1ccc(/N=C(O)/C(C#N)=C2\S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1	97968696	VQISTNWAYBRWSF-BPDFDMIXSA-N	530.093	7.706	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[P@](=Nc1ccccc1)(c1ccccc1)c1ccc(Br)cc1	97983424	UWONIENVSPFPGA-UMSFTDKQSA-N	526.418	7.061	50	40	KKGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	100047121	PDSFNJWJUYIXSM-MLGUNKCSSA-N	612.436	5.318	50	40	KKGB	
Cc1c(/C(=C2\C=C(C(C)C)C(=O)[C@@H](Br)[C@@H]2C)c2ccccc2S(=O)(=O)O)cc(C(C)C)c(O)c1Br	100072731	WRGLGAHSPIPXCI-WBOPISPNSA-N	626.407	7.200	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc3cccnc23)NC(=N)[C@@H](c2nc(-c3ccccc3)cs2)C12CCCCC2	100688327	HMBFNHHXXZETDP-SANMLTNESA-N	564.740	7.080	50	40	KKGB	
[O-][N+]([N+]([O-])=P(c1ccccc1)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1	101180536	CBXCZAWMQUXOHX-UHFFFAOYSA-N	584.596	6.277	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccc(Cl)cc1	102932788	SGDAAKYSBHXTCZ-LZYBPNLTSA-N	558.772	5.850	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC	103841970	DFTDDDQSOZIYCL-VXIUPONVSA-N	543.405	5.224	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(I)cc1	103890728	FHZXIUWLVPDAQB-ZHZULCJRSA-N	589.260	7.451	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl	103891068	OZADTRJAYMMVOF-YBEGLDIGSA-N	547.192	6.789	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2cccc(C(F)(F)F)c2)cc1	103898242	YHHWWLAVPOYMIL-XAZZYMPDSA-N	543.489	5.378	50	40	KKGB	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Cl)cc1)N2	105791158	WEZPTBQVLURKIX-ADNQPUJWSA-N	570.542	7.769	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1	112254301	FJRZPASQIKJAQJ-WKGLYUOSSA-N	621.049	5.152	50	40	KKGB	
CC[C@H](c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1)[C@H](CC)c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1	150385273	GTWGWCYJKHSRHO-XRSDMRJBSA-N	786.668	10.238	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	150481236	JUVDKGAGFKBVRY-WVKHYPTHSA-N	774.148	7.015	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1F	408543573	OWSTXXHFTGVATO-GRSHGNNSSA-N	529.305	5.780	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4s3)o2)c(C#N)c1C	408546374	IOZHQEMNDKHACV-XNTDXEJSSA-N	519.629	6.178	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccccc1F	408548672	KYDUOLMPOLOIPN-FMCGGJTJSA-N	535.356	7.235	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408550990	ITDVIAHYMVETLH-NSIKDUERSA-N	580.211	6.772	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408568567	KLYPIKFXSHQDEP-WKULSOCRSA-N	632.558	6.343	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccccc1Cl	408587360	FPKHZAFQIYXZKZ-KBKYJPHKSA-N	651.069	6.546	50	40	KKGB	
O=C(NNc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408605992	KPMCINVEDNVGDM-MRXNPFEDSA-N	504.801	5.722	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408638379	CIYKQHZRMDRGMQ-TVFCKZIOSA-N	647.147	5.164	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)cc1	408649390	XYXFNMACJKUJQZ-POTDNYQPSA-N	727.362	5.285	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(F)cc1	408652119	OKUULUATXWOXSX-IUOSPEFCSA-N	647.122	5.151	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408665758	ZJIBEXBGIMIOBI-HLFFMGMJSA-N	678.399	7.777	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408725699	MVBMKXLDUXKLIU-ODLFYWEKSA-N	569.355	5.641	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2C)cc1	408740683	DEWWSPMCKJIJSB-XPGZBYHPSA-N	548.690	8.291	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408745255	QPXZCISBYQFXLI-NDENLUEZSA-N	598.393	5.521	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	408746289	RMEXBMLEQXLLJU-WQRHYEAKSA-N	636.227	6.029	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccc([N+](=O)[O-])cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751528	UAAKICAXIMVWDN-PMCBXTNVSA-N	542.661	6.204	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccccc1Br	408764011	HULDYHUSDPQDKP-XNTDXEJSSA-N	607.236	5.433	50	40	KKGB	
O=C(NCc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1	408771217	GBYAGHXFHAXPRL-VTNSRFBWSA-N	549.414	5.124	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Br)cc1	408787915	HMKAOJXSZTURQY-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccc(C)cc1	408788656	FVOHZYBGAVWGOK-QNKGDIEWSA-N	535.669	6.209	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Cl)c1	408790000	TWGNMWPAZLQMKS-QGMBQPNBSA-N	665.656	6.546	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408797778	SQIPQJPSXJNYPI-RGVLZGJSSA-N	722.273	5.895	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(C)cc1	408811576	ACTBXXJRRIYNKC-LJUMEUDFSA-N	547.449	6.974	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408813213	QDSBTUQGSAQAIO-DTUGYKJQSA-N	553.638	5.754	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408820395	VTLFLQHZEOHKEM-RGVLZGJSSA-N	515.824	6.500	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)cc1	408820761	ZUFQVYNGJWFHKI-JAIQZWGSSA-N	525.374	5.408	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408827565	KQHREWHQOAYWBQ-FMFFXOCNSA-N	587.698	5.245	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OCC	408834899	VMCYMLNADMMBNK-KGENOOAVSA-N	614.867	7.033	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408836636	TVVDNFVXPUGWIK-MTDXEUNCSA-N	729.014	9.509	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408839643	UZYDNYVJNNZSGP-WKULSOCRSA-N	567.896	7.298	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408840881	CRWKFEPTPMXDGU-NOPDUFPGSA-N	757.902	10.074	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1	408842401	JURRUUNRTJZTMC-ATZGPIRCSA-N	629.050	6.707	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(I)c2)cc1	408851024	UPOHJDQQJJISFS-MWLSYYOVSA-N	579.394	5.285	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)c1cc2ccccc2o1	408852646	MKRXFHWFUSWFSL-PPDIBHTLSA-N	701.096	6.747	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1	408868024	MYRZYBSSWPTDAE-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Br)cc1	408880859	IVBULUPRWCJMHY-DEDYPNTBSA-N	509.787	6.026	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1	408883688	RWIGUYOTDSCHJF-UXHLAJHPSA-N	579.034	5.416	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OC(=O)c1ccc(Cl)cc1	408887531	RITJGBWGRWFHHH-LDADJPATSA-N	521.913	5.420	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OCc1ccc(Cl)cc1Cl	408890820	ZSPDNHKOCOOLPX-MWBNBJEGSA-N	585.572	7.965	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1	408891517	RUXRIIOTJORBQQ-CJLVFECKSA-N	514.534	5.035	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1C(=O)O	408891577	SRGXVTGIMIPCRZ-CXUHLZMHSA-N	590.655	6.688	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OS(=O)(=O)c1ccccc1	408897218	QUTPGSLNIWHJSU-GZTJUZNOSA-N	572.393	5.069	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1	408922752	GRFGLJUYKRGNSZ-ZBVWQCQISA-N	701.958	5.029	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408947299	BWKSDSVKZILAPR-UCQKPKSFSA-N	601.501	5.921	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccc(C3CCCCC3)cc2)cc1	408971065	HATFFWBNINGAQI-LGUFXXKBSA-N	525.605	6.954	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408978641	JOALBCODHRWABQ-YQHALXOCSA-N	626.562	6.449	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(OCC)cc3s2)o1)c1ccccc1	408992820	SYKDNZJZGUJNCT-BOOTZKDASA-N	538.651	5.767	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409005585	FJJUOTBPKRFXHZ-YUMHPJSZSA-N	610.154	7.770	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1	409006641	QKNOHBNLIFETJG-RGBTZMRASA-N	595.449	6.451	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409027808	HPXJOMNRYROXSY-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2cccc(C)c2C)cc1	409028724	QYVOEKSXUDWUGJ-UZWMFBFFSA-N	555.656	5.177	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409031726	KNQHYSHAQODSMR-CLHYIUPASA-N	596.514	8.289	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4c(OCc5ccccc5Cl)ccc5ccccc45)cc3)cs2)cc1	409035037	ISAHRRDCOKLRHI-HASSKWOGSA-N	603.147	9.012	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409042977	MBRFUHXHSWQZSA-HASSKWOGSA-N	576.483	8.705	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)Cc2c(F)cccc2Cl)cc1	409055252	KPIGZECJDMPBAX-OKCVXOCRSA-N	530.065	5.426	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1	409068748	VBJJADJEYHAJIX-MHWRWJLKSA-N	521.809	6.269	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	409073306	GUNAPADTLQDMRQ-XNTDXEJSSA-N	507.782	5.960	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Br)cc1	409132700	KNVLXJKXWFNAKE-QFIPXVFZSA-N	574.269	6.004	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccc(Br)cc1	409138043	ZBLJMYHGKMDOGE-HSZRJFAPSA-N	558.226	5.723	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C2=C1CC(C)(C)CC2=O	409148082	OLPHBDDPSFXFIJ-RUZDIDTESA-N	540.035	5.449	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1	409174486	MRUJVAVCMDOZOI-VVEOGCPPSA-N	697.299	5.006	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1	409219867	VVZNTLDGNAVOPP-VHANMLSCSA-N	637.317	7.391	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1	409235293	ZLQYVLVYOIHSHV-ZMFRSBBQSA-N	567.196	5.465	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409251015	SMVZXSSSAMGFET-DBFSUHOCSA-N	554.243	6.566	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1C	409257749	SBCSZUAEVSPKIW-VCHYOVAHSA-N	617.725	7.045	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409259770	FAQUKKMQQWTXTG-XKZIYDEJSA-N	606.473	5.814	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409267920	WVFQNVFWWJPVOT-NUJZUDFISA-N	558.860	5.899	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1OCC	409306417	ZUSPEDMGBYEZRB-MUXKCCDJSA-N	621.282	6.260	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409318985	ZIYZKGGAWXPSAB-CPDSRJINSA-N	551.905	6.621	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	409320900	DHBHTCIYJIRRIZ-WKIKZPBSSA-N	580.806	5.313	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1OCC	409323975	QMGHIHRXDMZOEO-MNDYBZJGSA-N	622.741	7.171	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409333890	KFFRBSOXFKXXAO-YNFMAFFXSA-N	659.355	6.190	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-]	409367669	HWZYNVUXXDQTDQ-PPDIBHTLSA-N	630.304	5.014	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(C(C)C)cc2)c(C)c1	409372147	LPXNPSAOCTZADH-FSGOGVSDSA-N	505.684	5.119	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br	409387116	TYZPIXTWCPBJPM-KVSWJAHQSA-N	569.824	6.440	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1OCc1ccc(I)cc1	409391099	HCBLPNJNEPUITF-UCQKPKSFSA-N	539.388	7.201	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409395621	PXUOFIAKAAMSCC-UHFFFAOYSA-N	704.177	8.789	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409396929	DBBFLEYBQFAQBO-UHFFFAOYSA-N	662.526	7.549	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(C)=O	409397702	NAHFYSPEVHZXIV-UHFFFAOYSA-N	660.908	7.168	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)/C=C/c3ccc(Cl)cc3)o2)cc1	409409086	MUJJEIYKALMMTP-DFKDZQHYSA-N	594.067	7.302	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(I)c1	1529547638	NEQYPPXYCNAASA-OOGQYTPFSA-N	763.452	5.518	50	40	KKGB	
CC(C)(N)CC(C)(C)CN1[C@H](Cl)N2[C@@H](Cl)N([C@@H]1Cl)N(C1CC(C)(C)NC(C)(C)C1)CCCCCCN2C1CC(C)(C)NC(C)(C)C1	1569985918	QMUSYDKDFQWQMN-WLNZHLEZSA-N	708.352	7.253	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccccc1	832029	HRUJVLYNMFZRAJ-UHFFFAOYSA-N	506.068	5.252	50	40	KKGB	
CCOC(=O)c1c(CBr)n(CCBr)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc12	2596312	GWRZCDGKXMDXTL-UHFFFAOYSA-N	559.276	5.184	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2ccccc2Cl)cc1	3087993	IELLCXLIEUHDTL-OPEKNORGSA-N	551.622	5.587	50	40	KKGB	
N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(Br)cc2)cs1	6060132	KHVPZKILQVZKOA-NTCAYCPXSA-N	544.481	5.806	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1cccc2ccccc12	8812128	XRJSRRXCXIGKGS-OKCVXOCRSA-N	521.386	6.483	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@H]1[C@H]2c3ccccc3C=CN2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1	12618596	QQPIYUDJYPYGNB-YLWZKEKXSA-N	503.605	7.180	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	12859655	WXQUMBLDFZJIJU-XODNFHPESA-N	501.366	5.367	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C(F)(F)F)C3=C(CCCC3=O)N2)c(C)c1	13174450	JAMNSFYADHHXNJ-XMMPIXPASA-N	511.569	6.123	50	40	KKGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1	13174451	ATWZAHIWDPNTJG-QHCPKHFHSA-N	511.569	6.123	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	33707383	UYWMJLRLFPOSDW-WGARJPEWSA-N	500.425	8.527	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](Cl)I	95707861	BOSZYGJIYJRLRJ-REOHCLBHSA-N	508.443	6.115	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	97950448	CNOJBZYHOYFDTF-HHHXNRCGSA-N	528.703	6.326	50	40	KKGB	
CC1(C)NC(C)(C)[C@@H](Br)C(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@H]1Br	101052022	BURKZZYTUVOTIJ-SZPZYZBQSA-N	558.318	5.675	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C(C)=O)cc2)=C(C#N)[C@@H]1c1ccco1	101305412	CSYSLYUCPOZSGX-RUZDIDTESA-N	527.602	5.250	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)c1	102634245	HSCJGEQTTUQXAB-XVAAYUMESA-N	550.851	7.848	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	102808427	WPJSOIJFKCLWBJ-GDLZYMKVSA-N	554.672	5.724	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1	103754340	QCVSUSMBGRKDLP-UZWMFBFFSA-N	574.622	6.428	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	103897733	VFVBFOPYAXJKFI-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)c(C)c1	104696660	ADLANTVQGIHTGW-SYECIKCMSA-N	536.701	6.249	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4OC(=O)c4ccccc4)[C@@H]3C[C@@H](Br)[C@@]2(O)C1	138731529	TZBBEXALLZOART-WHVZMQLYSA-N	533.503	5.675	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342163	XDQYXPJOYBSLOB-UWTATZPHSA-N	942.051	11.564	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	150350097	YQZICUWWYHQMCK-VVEOGCPPSA-N	663.319	6.309	50	40	KKGB	
O=C(NC[C@H]1CCC[C@H](CNC(=O)NNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)C1)NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1	150443754	LWXHRNWIMSZBEY-ACHIHNKUSA-N	790.798	9.011	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795358	ILXPTVZBCDZANB-GHMZBOCLSA-N	844.141	11.041	50	40	KKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cc(Br)cc(Br)c1O)[C@H](C)CC(C)(C)N2C(C)C	223593582	KYQOWXWCIFDXTP-QLNWWMQYSA-N	551.323	6.490	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC	408539067	FCHDJROMZCVSLF-SNCSUOKWSA-N	532.681	7.176	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	408539375	WCVOUHVBJFWRAB-JDCMOKTRSA-N	526.706	8.057	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1	408539460	WJYODRJUBRCHGP-LFVJCYFKSA-N	542.994	7.191	50	40	KKGB	
COc1cc(COc2ccc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)cc2)ccc1OCc1ccccc1	408539609	IQEKQWVYDBGCAN-HQDYHJHZSA-N	534.534	6.636	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(Br)c2)cc1	408541360	ZGHNQGOFSJEFBU-DBSPGSINSA-N	694.464	8.875	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	408607981	GGKHQQLAIIPKQJ-CCVNUDIWSA-N	500.382	5.232	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408675768	AKJZRORDVGDINK-WKULSOCRSA-N	591.731	6.808	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408726986	WRVRJULHDWWCSF-UNOMPAQXSA-N	603.254	6.577	50	40	KKGB	
Cc1c(C(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(I)c2)sc(N)c1C#N	408730309	PJINDLOTEWYPMQ-UHFFFAOYSA-N	642.260	5.063	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2-c2ccccc2)cc1	408741917	SNGASBZPQKBROL-IHELAITMSA-N	606.726	8.159	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408743569	BEFMNWSPLVJJLP-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)ccc1I	408746547	FCEPDMQVXYDYBZ-RHANQZHGSA-N	549.412	6.138	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1Br	408755053	TVLXYXSALWGYFP-GHXNOFRVSA-N	576.026	5.761	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	408755525	VHZFREKRSHUGTC-BHGWPJFGSA-N	573.208	5.196	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1-n1cccc1	408759854	MXOOSWSLKVKGQC-KCSSXMTESA-N	603.314	7.498	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl	408783166	KURYCKRKLFPCHF-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc2ccccc2c1	408795302	KUCNSUFCEBIRFG-CVKSISIWSA-N	602.472	7.585	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408797264	QYLYEZBBVYBVLB-CAOOACKPSA-N	686.127	7.272	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	408807659	DFXBECGGFFQMMB-IWIPYMOSSA-N	527.418	6.413	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408820040	UTLLAMORMCVLOE-JAIQZWGSSA-N	552.381	5.177	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408828331	MCUGWDPNDXOJPU-FNTLCPBMSA-N	784.154	6.470	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408835015	XRGNNHOBAUZIFW-JBASAIQMSA-N	653.576	9.768	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4)cc3)cc2Cl)cc1C	408836803	VTDAINYXUOOFLH-WGOQTCKBSA-N	557.477	8.314	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Br)cc1	408845616	KTPAVXXXDFDSLU-XODNFHPESA-N	596.703	6.372	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408857884	XCXZDTTYSJAYOP-PPDIBHTLSA-N	607.096	7.063	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc(Br)c1OCc1ccccc1	408861986	CFBAQZIHKURYGS-CCVNUDIWSA-N	527.484	6.037	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1Cc1ccccc1F	408876883	QUYFKAAMWKQIHP-LICLKQGHSA-N	530.312	5.714	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Br)c1)C(=O)Nc1ccc(O)cc1	408879875	FVHYBALCADQFAX-GZTJUZNOSA-N	528.200	6.042	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OC(=O)c1ccccc1	408882613	RFERHSAODLPVAD-DHRITJCHSA-N	579.188	5.045	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1c(Br)cc(C)cc1Br	408882633	RLHASHAGLUZPLJ-NTEUORMPSA-N	555.064	6.393	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408883459	RDSUWALUXHKXGX-KNBZMSCYSA-N	632.842	5.504	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)cc(C(C)(C)C)c1O	408887053	NNMBBCKIFWBFLM-ZCTHSVRISA-N	581.691	5.746	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408887362	QAWPJVNPPUIABW-RPPGKUMJSA-N	527.813	5.495	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408889979	MCAJIFYEJGRCMH-LDADJPATSA-N	622.868	5.965	50	40	KKGB	
Cc1c(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1	408891708	BSGTWTMMELPWLD-WKULSOCRSA-N	576.893	5.487	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCc1ccc(Cl)cc1Cl	408891837	WACHCRNVKPPZGU-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	408891972	WOBKUHVIPDHWAF-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OC(=O)c1cccc2ccccc12	408892280	YJLXFEVGUUQXOA-XDHOZWIPSA-N	699.193	8.209	50	40	KKGB	
Cc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)c1	408955223	OIIYYUXGOQNIDS-MXAYSNPKSA-N	502.206	5.863	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408970858	LHKQSUIJFFFMKB-QIMIDQGYSA-N	669.831	7.437	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccncc1	408974360	YHKFMQHHMCQMKC-MUXKCCDJSA-N	633.227	5.787	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)OCc1ccccc1	409001756	KBDNMGWLTFESCO-FASBHPNXSA-N	566.445	5.283	50	40	KKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cc2cc(Br)cc(I)c2o1	409015532	RKCSACFYZGIFIE-DHRITJCHSA-N	561.173	6.356	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409028919	TYDYBCMSNONWRM-YQCHCMBFSA-N	568.699	5.600	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@@H]23)o1	409032205	LORDUXATMLWHSG-UIPQPFFQSA-N	580.984	5.116	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409050489	WLSQSBGILOZFLT-NUJZUDFISA-N	597.263	5.743	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409059910	YQNOAEKAJUYPGS-ATZGPIRCSA-N	616.954	6.567	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409063976	FLUCNBJZSMWEAG-FOWTUZBSSA-N	503.363	5.315	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079652	LNRYLVPDTPIQPB-RQZCQDPDSA-N	637.352	7.182	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409084885	QWVXPOJRSILVBT-HYARGMPZSA-N	528.521	5.646	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2F)c(I)c1	409089320	ILTHAJPMPBJNPT-YVLHZVERSA-N	654.217	6.168	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	409145494	NYXPQLKBPPLZKW-LGJNPRDNSA-N	671.229	5.084	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl	409169630	QKIHPNOYVNNLNP-ZHSUKTGHSA-N	650.357	5.672	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409220085	YANLBKVBHZSFQJ-LNADQZHESA-N	771.216	7.517	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc1OCC	409222526	DSRHWECSEGOTFT-BPQHEMBESA-N	701.530	6.790	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1C	409247373	BTBGYKNURBENAQ-VCHYOVAHSA-N	601.270	6.531	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	409256952	QTLZTZDCQFKTNY-XESQOAJGSA-N	500.357	5.215	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409266965	ZIGBHJZFKWBFTR-KOKCXWAISA-N	654.192	8.004	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1OCC	409311551	HACZZUUESXFSTE-QQXSKIMKSA-N	508.487	5.247	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OCC	409317068	NWBOPWAWRRVGOJ-CPDSRJINSA-N	551.854	6.796	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc(Cl)cc1	409357549	JRSRHBRZTLCNDN-MTJSOVHGSA-N	647.681	8.346	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c1	409359249	ARUOLOXXDRVXID-QDTIIGTASA-N	564.705	6.754	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409373504	PWYPSDRAQODERK-ZRGSRPPYSA-N	537.197	5.936	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(I)cc2)c2ccccc12	409381903	OTAJTEALBRBVSV-DEDYPNTBSA-N	520.374	5.390	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	409383178	UYMRAPCJASVLSV-ATVHPVEESA-N	540.801	5.674	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395833	SFMYFOXYTZXDFK-UHFFFAOYSA-N	720.761	7.597	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396402	PFQANHJJZRDZKN-UHFFFAOYSA-N	634.054	8.506	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409402108	JASKZIHYMRANQR-NMQPEJGJSA-N	564.038	6.014	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(O[C@@H](C)C(=O)O)cc4)c3C)o2)cc1	409404701	QRCXJOQAQKQANQ-CWLDMXAVSA-N	594.668	6.289	50	40	KKGB	
S=C(Nc1nnc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@H]3Br)s1)Nc1ccc(Cl)cc1Cl	575628232	KBDJPLYFZFRYTB-ZQEOTTOMSA-N	601.448	6.782	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1	1529547109	ITGMATCDSWQEOF-XINRNAFCSA-N	734.442	5.815	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2C)C(C#N)=C(SCC(=O)c2cccs2)N1	1023565	JGQRPSFFDOVQLU-RUZDIDTESA-N	520.079	6.661	50	40	KKGB	
COc1ccc(-c2csc(N(NC(=O)Nc3ccc(C)cc3)C(=O)Nc3ccc(Cl)cc3)n2)cc1	1415244	BVLKHSDDIRFZLL-UHFFFAOYSA-N	508.003	6.556	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1	1790753	KEPOQZKEVLMGSN-JSIHEXFSSA-N	573.299	6.821	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2252385	PPNNVQQCRCGWCL-OCSSWDANSA-N	518.086	6.436	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1	2643911	GADWFMZJVQHADG-CCVNUDIWSA-N	510.402	5.619	50	40	KKGB	
COc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1cccc(Br)c1	2801760	NZNAFPKYPXEIKV-RDGATRHJSA-N	515.411	5.630	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(Br)cc2Br)=C(C#N)[C@H]1c1cc(C)cs1	3622239	AURBMTCBHXKMHL-NRFANRHFSA-N	595.382	6.547	50	40	KKGB	
O=C(CCl)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@H]1c1ccc(Br)cc1	6446788	ZQVQQVXJJLSOMS-QFIPXVFZSA-N	599.710	6.637	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1	9019371	UDDHMWCONQOTFZ-NLTRVXJZSA-N	515.566	5.067	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(-c2ccccc2)cc1	15018666	VMOMMCYGWIFUIQ-XICOUIIWSA-N	524.624	6.380	50	40	KKGB	
CCOc1ccc(Oc2c(/C=N\NC(=O)c3ccc(Br)cc3)c(C)nn2-c2ccccc2)cc1	33716315	JKUFGCJVGJABKZ-QRQIAZFYSA-N	519.399	5.898	50	40	KKGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	97980601	XUYDSUWSEHZVJC-ZHACJKMWSA-N	526.959	5.058	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1F	97981206	XSZJESXWQSKGGF-FMFFXOCNSA-N	568.045	6.163	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	100126563	OJSRZYYARNVGEW-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc(Br)c1O	101341787	FCBPMBXNJCOGDC-MDWZMJQESA-N	528.409	6.258	50	40	KKGB	
N#CC1=C(SCc2cccc3ccccc23)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	102139598	VWKOASBKCUSXTN-INNMJMHTSA-N	585.072	7.660	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc2ccccc12	102932912	JAATZMMGVPLHOP-WOJGMQOQSA-N	606.816	6.937	50	40	KKGB	
N#CC1=C(SCc2ccccc2)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1	103526648	GSYBXRCOUJWYKK-PQNGQFLHSA-N	518.557	5.993	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3C)N=C3CCCC(O)=C32)cc1	104129960	AADPPJUYASHOIW-RUZDIDTESA-N	508.043	6.688	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342067	VGWQONANBALUGH-REOHCLBHSA-N	642.009	7.752	50	40	KKGB	
C[C@@]12CC3CC(SCCCCCNC(=N)CSSCC(=N)NCCCCCSC45CC6C[C@@](C)(C4)C[C@@](C)(C6)C5)(C1)C[C@](C)(C3)C2	150385464	KEEGHGGOEXCNIC-GMCVCWRLSA-N	707.242	10.807	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OC(=O)c1ccc(OC)cc1	150473578	MWDGUNNJDSFQGP-LICLKQGHSA-N	629.363	5.077	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	164732478	PTXFUJGUKBCWLQ-NSIKDUERSA-N	649.981	8.950	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795289	LVVNOPVZNPTTLA-RNFRBKRXSA-N	688.019	8.210	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2C#N)c(C(=O)OCC)c1C	408545965	AUEPNBNPFZEHMM-OEAKJJBVSA-N	542.613	5.579	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551100	BCZGBFDFHLBINT-BCHBDCPOSA-N	596.221	5.454	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1ccc(Cl)cc1Cl	408566955	JHULWFVRCBUTGD-KVSWJAHQSA-N	597.249	6.414	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl	408580861	SDAVJEMJYFOVJV-VIZOYTHASA-N	616.962	8.924	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408653008	PLOSNLVHJFUXJL-IMJYCFMASA-N	566.268	5.692	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408726802	VHRYTALRNCRXOL-NVMNQCDNSA-N	593.248	7.040	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1cccc(F)c1	408744698	GNLCKJMELCQYIO-MFOYZWKCSA-N	515.766	6.375	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408759972	PFROZBVEBNCWLC-DHDCSXOGSA-N	684.262	5.284	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)c1	408762875	MSTDZTHZGZUVRD-CPNJWEJPSA-N	541.423	5.470	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	408768388	WVKYSBKKLHURPA-ZTKZIYFRSA-N	512.075	5.682	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccc(C)c(Cl)c2)cc1	408776454	OIDMRHCANDFEEZ-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408788030	AAXKEYDXCNUFDA-DEDYPNTBSA-N	615.265	6.743	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1cccc(C)c1	408790406	PQKFWSCPXLQZKY-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)cc1	408810128	IYAOLUXEIZEKGL-MYYYXRDXSA-N	560.481	7.212	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccccc1F	408811212	MKHARFBXHACFSB-SXGWCWSVSA-N	520.185	7.020	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)cc1	408813047	CYVDYIGVOJGPNC-NHDPSOOVSA-N	617.281	6.173	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1	408816354	YJTMXZOORDTLQD-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408833413	KAAUMRJISWRAKE-YDZHTSKRSA-N	648.897	7.723	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1C	408834060	STJDVKXFAUKZKX-WGOQTCKBSA-N	601.928	8.423	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408840873	CPSUEKXGVQRMHS-CDLBOOTPSA-N	767.054	7.977	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5ccccc5F)c(I)c4)cc3)cs2)cc1	408844249	NBQWBABIQWPTMJ-QNVXDBMFSA-N	788.424	8.553	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(Br)cc1	408847965	WFPZVRLFBIKBJI-HBHSWBPBSA-N	759.386	7.943	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4ccc(Br)cc4)c3C)sc3c2CCCC3)cc1	408848376	UIDMDXZXZPOSKC-KYHGBAKBSA-N	604.574	7.513	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(F)c1	408855192	DFBXAQNWNJOJKC-ICUTVXMZSA-N	547.630	7.333	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408872492	FISUQAHOKQBVMG-ALQBTCKLSA-N	651.141	5.029	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1	408875814	LCYFBMQRNPGHLB-YBFXNURJSA-N	592.355	6.833	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408879536	GVHNLBDKKSBWGE-LICLKQGHSA-N	565.862	6.667	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	408880358	JMRBFBFPBNILIG-WOJGMQOQSA-N	596.264	7.683	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1ccccc1-n1cccc1	408888739	ZWOGLNCEYGOTPR-CVKSISIWSA-N	550.325	5.612	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)c([N+](=O)[O-])c1	408889519	DNMSGOWISZZJFG-GIJQJNRQSA-N	695.251	6.246	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cc(C)cc(C)c1	408891796	VNEYWYSHTBPTPP-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1Br	408893752	HHSQEVSRZWBYOR-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cc(C)cc(C)c1	408899092	YZVIPXJHBXFIGP-SSDVNMTOSA-N	509.433	7.442	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)ccc1Br	408903904	BBTYOBAVPLBTKY-ZRGSRPPYSA-N	507.215	6.799	50	40	KKGB	
CCOc1cc(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1O	408938252	HLFMSHUSPPLBNA-RHANQZHGSA-N	518.411	6.083	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)OCC)cc3)c(Br)c2)c(OC)c1	408947769	BHPYVBKBUVOTQS-KUSRIXJQSA-N	802.473	5.696	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OCC)c(OCc3ccccc3)cc2Br)c(OC)c1	408948142	CBMKERZMTMIUCO-FXOQEBJASA-N	695.567	5.156	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408952491	WDIMEVHFGMGNRR-MHZLTWQESA-N	807.461	5.216	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c(OC)c1	408954962	NXRDXOVZMZJJIB-QDVQKENVSA-N	691.568	6.454	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(C(=O)O)c1	408956504	XRCSRQXFPCMSNI-UUYOSTAYSA-N	574.431	5.482	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(I)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408966559	PDBIEFOBJRFQTH-DHRITJCHSA-N	541.301	5.289	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1	408974047	WJWCZFMTPHXXCL-UEVMZNPTSA-N	634.560	6.535	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	408989800	IXTNVTHZSHHLBQ-JQVNRSHYSA-N	644.134	7.234	50	40	KKGB	
Cc1oc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1Br	409024970	OLGQEAFORIPCJP-BHGWPJFGSA-N	545.242	5.003	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409048905	UYPQLYWFQKRXAE-XODNFHPESA-N	653.271	5.502	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409075388	XZWZFXVJUODIEJ-XNTDXEJSSA-N	626.710	6.187	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(O)cc1	409085192	WUKKXYDXCIPQMF-NTEUORMPSA-N	503.820	6.311	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc(I)cc2)c(Cl)c1)OCO3	409095990	JGUZIZBKBODJTD-HSZRJFAPSA-N	558.759	5.470	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	409112126	FBKHAFHTMRYJHF-ALQBTCKLSA-N	655.560	5.755	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(C)cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409126000	GLRIGRWWNVQUMX-SANMLTNESA-N	550.497	5.719	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3Cl)c(OC)c2)C2=C1CC(C)(C)CC2=O	409136028	VYSLQYWXUMPSPC-AREMUKBSSA-N	522.045	5.310	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)c2ccc(F)cc2)cc1OC	409137869	ZFBZOFLFYBQPNL-DPNNOFEESA-N	592.693	5.213	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1	409154902	OUSTVDGMAHAZQJ-XKJRVUDJSA-N	652.727	5.288	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4)c(Br)c3)cc2c1	409183748	FYEZIHPVSIUDJB-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1ccc(Cl)cc1	409189439	LKGFWDSOKXKGJW-IPPBACCNSA-N	666.684	7.045	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NC1CCCC1	409191660	KFGNWNUXLLSXGS-CHHVJCJISA-N	573.112	7.063	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409226973	WTVAEQIXPJYOEY-UHFFFAOYSA-N	532.350	5.278	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409245082	NCCHDBROQJJZCK-STZFKDTASA-N	566.427	5.270	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1I	409246827	DZSXQHXLGMRDAG-SDQBBNPISA-N	612.127	5.859	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	409251192	OTHXBXMUHOZUOK-RQZCQDPDSA-N	637.250	7.102	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OC	409310505	ANYAECGPMFHYGR-CPDSRJINSA-N	551.854	6.796	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1OCC	409314296	QXIUPBYTIBZCFU-MNDYBZJGSA-N	669.208	7.505	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	409323151	NYTNODZXCIWMSM-MNBJERMJSA-N	541.560	5.534	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	409360873	NVFOIBADPMVOGV-WGARJPEWSA-N	610.233	5.476	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c1	409367499	BZPKBWTWWMZGKS-RWPZCVJISA-N	503.400	5.483	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(Cl)cc1	409371730	LMPVIXNLMVNORJ-WQRHYEAKSA-N	533.768	7.126	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395265	LTQHFUQFGYUVDM-UHFFFAOYSA-N	709.294	7.093	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)c1	409395295	LZXRFCQMKSPQQV-UHFFFAOYSA-N	749.765	9.024	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409395404	NEQHJNUGCOYQCL-UHFFFAOYSA-N	695.751	7.725	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409395581	PJPCGFZCMJBQDK-UHFFFAOYSA-N	631.408	7.471	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)cc1	409395691	QSSIEALCDHRBCJ-UHFFFAOYSA-N	795.109	9.421	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)cc1OCC	409396138	WRYOLYPUIZJSCJ-UHFFFAOYSA-N	769.874	8.802	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397863	OUYLZHUNDOEMEA-UHFFFAOYSA-N	627.451	6.887	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)cccc4c3-c3ccccc3)cc2OC)c1	409398877	WABZNQWRBSKJFH-UHFFFAOYSA-N	549.583	5.844	50	40	KKGB	
COc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409403072	LTWDGMOLFIBRJN-NUJZUDFISA-N	695.295	6.248	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc(C(=O)O)c4)c([N+](=O)[O-])c3)o2)cc1	409406858	XSGPHGBNLTXIIX-QMRORBIVSA-N	687.503	6.978	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	1529544335	CFLPJYASPNBMRZ-HVJLQFNCSA-N	736.472	6.229	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	1529547849	PWRVJDSIXAYYEA-MKEMXLLOSA-N	844.897	6.013	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1	1790726	XAVPTGIQKKLDFH-JSIHEXFSSA-N	538.854	6.167	50	40	KKGB	
CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(CSCc4ccco4)c3)c3ccccc3n2)c1	2090627	WAGGFBVWXATTBD-HNSNBQBZSA-N	551.668	7.099	50	40	KKGB	
C/C(=N/NC(=O)c1ccccc1O)c1ccc(/C(C)=N\NC(=O)c2ccccc2O)c2nc3cc(C)c(C)cc3nc12	5722380	MTNKZUCOJMPPED-ZIVFCYQMSA-N	560.614	5.119	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cccc(C(F)(F)F)c1	8721775	COYWPOABQNEBOF-IPBVOBEMSA-N	512.271	6.263	50	40	KKGB	
CC(C)(C)C1CCC(=NNC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)CC1	16322786	BZFGXIDCLBFZBV-UHFFFAOYSA-N	517.695	6.404	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CSCc2ccccc2Cl)c1C	20243658	GSWYPAHLHRMZAU-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)c1	38651531	MUYBAHKQRDMYCG-XMMPIXPASA-N	505.368	5.675	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccco1	97950435	PGHYWTTXHRYNTJ-AREMUKBSSA-N	549.052	5.957	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O	97962169	XFFCOAQAOCFRLJ-HCHSGZHCSA-N	529.394	6.766	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	98000022	ZLESVIUUEJGSSU-MHZLTWQESA-N	563.510	7.008	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccc(C)cc3)=C(C#N)[C@@H]2c2ccccc2)cc1	98048891	KUIGREYAWSMLNU-LJAQVGFWSA-N	551.668	6.123	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)/C(=C\c1cccs1)NC(=O)c1ccccc1	100033612	IJGGYKIUJAVCQI-XNBSKVPHSA-N	564.417	5.244	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	100118350	OBZLPKIVQPVSCP-FDALDRLYSA-N	629.157	7.354	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)cc2)S(C)(=O)=O)cc1C	100119865	IAGBVRNUMCNBIH-ATZGPIRCSA-N	597.568	6.748	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1C	100123698	RAEUROZVTCZZNR-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1C	100129084	VUHBNMCFFZZPKR-CAQPMQTCSA-N	607.574	5.815	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)OC(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)=C(C#N)[C@@H]2c1ccccc1	100363434	OHYGOBIICAWKJQ-XIFFEERXSA-N	554.630	7.356	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852076	WYDKIEKRJLIKEI-KCSSXMTESA-N	589.718	5.509	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1	100925389	RKEREHWXUBQHMR-HEQFHQOESA-N	522.457	6.045	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccccc1Cl	101305441	QWOWDMHPEXYKMU-SANMLTNESA-N	558.103	6.725	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1F	102719367	RQJGECZHFXXPLG-NDEPHWFRSA-N	577.081	6.503	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(SCC(=O)Nc3c(C)cccc3C)=C(C#N)[C@@H]2c2ccco2)c1	102808657	NSRGUTIAHNUQEP-HHHXNRCGSA-N	558.660	5.620	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccccc2)CC1	103884832	WLBYAWYXYRRUNP-JWGURIENSA-N	547.409	5.192	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	103889005	UQVYDKFKLKRJIR-KPKJPENVSA-N	517.150	5.551	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br	103889425	IZYGBBVNSXEMFD-GHXNOFRVSA-N	529.015	6.076	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccncc4)(c4ccccc43)[C@@H]2C1=O	112255691	RSXWTGVCOQAPDL-HBKHLPLRSA-N	547.014	5.010	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1	150386706	GWVVYKXLJJUTCI-DBSPGSINSA-N	671.175	6.300	50	40	KKGB	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21)N1CCCC1	245231553	GBKPKVQLURYXHU-PLYVDKPMSA-N	579.078	6.778	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC	408537480	FNDXUMWCISWWAO-PGMHBOJBSA-N	529.475	7.141	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccccc1F	408541125	BOYQWXMVSPCBGD-NVMNQCDNSA-N	525.330	5.420	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408544857	VQONJTLYWQGKEV-IUXPMGMMSA-N	776.106	6.323	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c(C#N)c1C	408546321	GOWGYETXRYYJNL-HYARGMPZSA-N	599.506	7.318	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)c1ccc2ccccc2c1	408549797	ZEEFFGLLOPKKMG-QRVIBDJDSA-N	613.236	7.692	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408551794	MOTDYGYKYCBUEJ-NSIKDUERSA-N	569.659	7.517	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408566304	FTAXYBLOHJRVAZ-RZNTYIFUSA-N	596.081	8.177	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccccc1F	408569495	OHBRPUNDDRREIG-RWPZCVJISA-N	512.628	5.421	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCC	408570633	XHEVNPKLHWJUBN-AFUMVMLFSA-N	584.501	5.262	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	408639055	DZUMMOFPAVVSPY-YRPNKDGESA-N	645.175	5.772	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408642206	DSUVSUMIOUKCLQ-OSERRVGHSA-N	673.185	5.409	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(N2CCCC2)cc1	408676957	NZMCMSJJKXBBNU-RWPZCVJISA-N	602.283	6.063	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@@H](Br)c2ccccc2)cc1)c1ccc(Br)cc1	408681367	JBGBAVURRAETSU-AHKZPQOWSA-N	607.298	7.246	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)ccc(Br)c1Cl	408690655	WFTBXNLZNZFJOQ-AHCXZYCDSA-N	602.696	5.321	50	40	KKGB	
COc1ccc(N(Cc2ccc(C(=O)NN=C3CCCCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1	408721265	FXSINXZEOFPBQX-UHFFFAOYSA-N	519.667	5.921	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	408745223	QJRYDWDRPZQXSR-UYRXBGFRSA-N	511.803	6.626	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccc(F)cc1	408780535	CZMUFMGCZTZYNU-MOSHPQCFSA-N	538.417	6.178	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1	408792335	AMFGXWPPYYQSML-ZXVVBBHZSA-N	504.586	6.789	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(I)cc3)o2)cc1	408795048	KWMJBZMBORQDTC-GHRIWEEISA-N	512.303	5.274	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c1C	408796473	PDKIEZMABYLUKM-VXLYETTFSA-N	713.151	7.400	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1c(C)ccc2ccccc12	408803800	AOXNPPIEHZMKPN-LPYMAVHISA-N	575.890	8.006	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408839430	SCWIUQPVYCMMMZ-KULFSUQXSA-N	706.018	8.409	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1	408840045	XDPPIGFPDGOBKG-BIZUNTBRSA-N	570.443	5.922	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1	408842369	JMZKWZGADZQAIF-LBWIDTTISA-N	602.474	7.027	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1OC	408844276	NDMYUSXSKIHRNO-XODNFHPESA-N	572.868	6.351	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c2cc(Cl)cc(Cl)c2)cc1	408860818	FWJUSHHPSBENRR-LUOAPIJWSA-N	599.290	5.139	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408863748	PMNXXZLVJLZGOT-ATZGPIRCSA-N	677.404	6.689	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Cl)c(C(F)(F)F)c1	408864600	YGAPPZCSKXDPSU-VVEOGCPPSA-N	574.408	5.508	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Br)cc1	408866034	DELCLZPSZDHXMK-CPNJWEJPSA-N	526.228	6.357	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408867061	IANRBLBFXNVHTB-CVKSISIWSA-N	512.360	5.028	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1Cc1ccccc1Cl	408873719	VDHJPULTLTVRNK-CIAFOILYSA-N	570.858	7.097	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1	408881346	MTTRTXZMAHTRDH-WSDLNYQXSA-N	596.421	5.828	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OC(=O)c1cccc2ccccc12	408882767	SDLZOZUMTHXPIM-XMHGGMMESA-N	517.368	6.920	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OCc1ccccc1Cl	408885675	DROYZBSILRYQKX-WOJGMQOQSA-N	593.248	7.121	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408886870	JNVUVAUZCFMIFV-KBKYJPHKSA-N	598.193	6.527	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl	408888183	SXGRBIQPIHQUJN-GZTJUZNOSA-N	542.375	6.434	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OCc1ccccc1Cl	408888642	YFVJORSVGHUZCN-RQZCQDPDSA-N	638.245	7.030	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1	408889205	ASGLANCZPYEMTE-JJKQSNDFSA-N	588.995	6.529	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccccc1	408890445	TZJONDDAZFQOLV-YBFXNURJSA-N	649.177	7.806	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408894725	IYVUGWQRDIMYPG-XNTDXEJSSA-N	537.808	5.969	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1c(Cl)cccc1Cl	408898563	WZAHYDPSFAZZEN-SFQUDFHCSA-N	546.248	7.279	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccccc1F	408899258	OSDSHHZVNAXGHV-CXUHLZMHSA-N	550.211	7.028	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc(C(=O)O)c1	408942027	KXERRBXZYFMRGO-WKIKZPBSSA-N	570.339	5.087	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408947400	CIWPUEQLRVXGLP-NHDPSOOVSA-N	568.888	7.372	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)c(OC)c1	408955300	OMARKPJLOPITDZ-SUOIOASJSA-N	695.567	5.074	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408966707	NBDCVUHZWIFOAK-PNQUVVCRSA-N	565.226	6.508	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c(F)c1	408968537	WWMJUKOAMMJLIG-FJEPWZHXSA-N	502.343	5.956	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408970646	JOQDURBWABNFKA-GWTKTNACSA-N	694.413	6.852	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1	408972011	NSJCWKQCVCLIOW-JPXOHXSUSA-N	699.429	6.989	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1	409002482	NSKUFYNTLQQXLH-PPCGIRLPSA-N	558.388	5.677	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409009576	GIAKGHOCNHQFRR-PNQUVVCRSA-N	788.174	6.503	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1cccc(F)c1	409010649	CTGIOFXDITVQGR-KVSWJAHQSA-N	623.216	6.291	50	40	KKGB	
CC[C@@H](C)n1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c2cccc(C)c21	409030699	FGVNBJZLAUJFJJ-LIXYRHBFSA-N	504.634	7.217	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409033259	KLJKWKKSBOPRCG-ZCTHSVRISA-N	531.450	6.663	50	40	KKGB	
N#Cc1ccc(Cn2cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c3ccccc32)cc1	409036334	VQVGQSIKABCANZ-JEPNHJGPSA-N	505.581	6.540	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409045751	HPHZHMYTIUWDHV-LDADJPATSA-N	538.373	5.550	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1Cl	409055400	YFJVFSJYCJQIEW-LUOAPIJWSA-N	526.645	7.061	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)Cc2cccc(Cl)c2)cc1	409058484	XXSKRLGEAGUPDU-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OS(=O)(=O)c1ccccc1	409074980	WAZQCNUEKCECDZ-LTGZKZEYSA-N	523.010	5.781	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C	409150089	ABBYNARLTHNTTC-AABVJFSESA-N	643.966	5.717	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	409200231	HQZBSJJHQFBTLI-RWPZCVJISA-N	505.983	6.223	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	409209459	FOBKXHZWOYEWQS-KBKYJPHKSA-N	524.813	6.376	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)c1	409218847	LJAVMRZPYLKOLS-UHFFFAOYSA-N	618.042	5.610	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)NCCCc1ccccc1	409220833	GMOJSZMOHSMINW-IWIPYMOSSA-N	547.396	5.398	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409222099	AXSAUDGYRJCXEQ-YBFXNURJSA-N	602.407	6.738	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccco2)c1	409222185	ATGDMTLOXIXASX-UHFFFAOYSA-N	655.255	5.769	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c2)cc1	409223017	FBBWDUVVCUXTAO-UHFFFAOYSA-N	546.410	6.537	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	409225388	PYFXFRVZKGENMZ-UHFFFAOYSA-N	669.757	7.409	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409237109	JAFLXLDKWSHTMI-MEFGMAGPSA-N	562.739	6.943	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(I)cc1	409251859	QQBGHRIDMDMSOH-UNOMPAQXSA-N	592.355	6.833	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409257026	NLZVJOQGONRWLU-OAQMXIGCSA-N	709.055	9.002	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)ccc1OCc1ccccc1	409263465	MURWACXCTOHIPB-APTWKGOFSA-N	558.034	6.099	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1	409265742	OKEVNJBLZAGJMJ-JAIQZWGSSA-N	508.405	6.482	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	409315818	OQNMIAWJLQYLAI-QRQIAZFYSA-N	511.416	5.980	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	409319842	MMTRXGKMOPOGEP-MZFJOGFUSA-N	523.589	5.364	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc(I)cc1	409372648	OMNACLNGWATTOG-MFOYZWKCSA-N	767.968	7.906	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)c(-c3ccccc3Cl)c2c1	409395301	MBGIYWNGSFVZRK-UHFFFAOYSA-N	552.030	7.179	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396739	AOLFCRRAUKPFDH-UHFFFAOYSA-N	616.899	7.633	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(C)cc4)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409397151	GXLHCZCXJUALQJ-UHFFFAOYSA-N	596.083	7.577	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409397855	OSCVWFCAHQPLNK-UHFFFAOYSA-N	606.893	8.177	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409398302	SJHQYPFXMCTZTA-UHFFFAOYSA-N	586.475	7.832	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	1529549161	TZSDTEQSWHODGJ-DLVDTJDKSA-N	797.499	6.461	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc2ccccc2c1	2097833	GYLDTQNRPKTEJS-IUUQDGFPSA-N	596.498	5.465	50	40	KKGB	
CCOc1cc([C@@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(I)c1OCC#N	2799551	DJIUNIKETXIJRI-HFJQGTKSSA-N	581.458	5.458	50	40	KKGB	
Cc1cc(N(CCI)CCI)ccc1/N=N/c1ccccc1C(=O)O	4773914	QFQHSEVSDPSZRN-QURGRASLSA-N	563.177	5.785	50	40	KKGB	
COc1ccc(OC)c(/C=N\NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1Br	8397625	HNANERFAYMUUBZ-KALUYTGESA-N	554.348	5.020	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@H]1c1cccs1	8443108	LYVDQNGMSMECII-QFIPXVFZSA-N	506.653	5.091	50	40	KKGB	
COc1cc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)ccc1O	8969464	XBPCQQFQWDLDBY-QRQIAZFYSA-N	522.030	5.243	50	40	KKGB	
N#C/C(=C/c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1	16545362	MAXLONKLLILKKB-CYVLTUHYSA-N	512.551	5.503	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(=O)OC(C)(C)C)=C(C)N2)cc1	19939549	DTGILNAZVBQBEI-VWLOTQADSA-N	524.086	6.312	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	19949559	FVDJUVUQFXFQJY-ZTKZIYFRSA-N	512.075	5.682	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccc(Br)s1	50704751	GLFBPVVOYRZFBP-BHGWPJFGSA-N	519.877	5.804	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccc(Cl)cc2C)cc1	59647390	DVFXFKBINXYKIL-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	59883006	BGBKIXAKBAMELS-HIWRWHBISA-N	611.429	5.915	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1	85907025	ZKUCDSCKSARUCE-GWDXWYSFSA-N	826.968	15.850	50	40	KKGB	biogenic
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)/C(=N/NC(=O)c1cc(-c3cccs3)nc3ccc(Br)cc13)C2	97966352	OKWUBPVBFJOMQS-ZWADQNJCSA-N	562.511	5.526	50	40	KKGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1	97980657	YSVLHVPKFPFMJS-HMMYKYKNSA-N	532.468	6.403	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1OCc1ccccc1	97980663	JKPHCLYNMDXGTM-SXBRIOAWSA-N	543.667	6.115	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC(C)=C1C(=O)OC	98045718	KUJHAJDCSDEQER-LJAQVGFWSA-N	539.657	6.052	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	101556618	HDXWGYUZNMCLNX-MHZLTWQESA-N	608.945	6.914	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)c1	102810031	XGXWVSUOODBDQM-MUUNZHRXSA-N	540.645	5.410	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=C\c2cc(/C=C/c3ccc(N(CCCl)CCCl)cc3)nc(/C=C/c3ccc(N(CCCl)CCCl)cc3)n2)cc1	150368044	ZWBYOFJBKIWIFV-NRMBWTRMSA-N	806.537	10.840	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795297	UCJXUPDPHXBZJM-KNVOCYPGSA-N	988.061	12.022	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	169795481	UOLGLNAEYPHRPE-BGYRXZFFSA-N	670.342	10.740	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	408551660	FDKLFJFQIPOYAP-RCCKNPSSSA-N	534.597	6.685	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1OCc1ccc(Br)cc1	408569187	MFCIULYWHZOMTI-KCSSXMTESA-N	627.626	7.163	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(Br)cc1	408581247	VJGDNFAKOUOHTB-RQZCQDPDSA-N	537.668	8.451	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)cc1	408601818	BVPLFPNJEWRWGY-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408657478	UHWPNDDMSANAKR-BRORTUQTSA-N	678.399	7.777	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)[C@H](Br)c3cccc([N+](=O)[O-])c3)cc2)cc1	408674217	YHZSHHHUQGEBQI-IXCJQBJRSA-N	587.426	6.700	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nn2-c2ccc(C)cc2)cc1	408725005	NNEMJAGXDTYYJJ-QNKGDIEWSA-N	500.602	6.499	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3)cc2Br)c1	408743548	AZGCFBMZBCYDAH-NDENLUEZSA-N	507.384	5.981	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c1	408746619	UBRMCOXZPNJFFB-NVMNQCDNSA-N	531.823	7.179	50	40	KKGB	
CC1=CC(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1	408758169	HCNJSKRSHGCDFY-NOZLNSQSSA-N	525.446	7.477	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)cc1	408763939	GRCCSNWUOAPEJE-OQLLNIDSSA-N	645.156	7.140	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408767349	ZOAYHAPGQXBELA-PXLXIMEGSA-N	638.483	6.465	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccccc1F	408819380	QMIVPKBWBXOFQQ-SXGWCWSVSA-N	548.181	6.614	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408824269	HSAFLTAXAZPFHY-OVVQPSECSA-N	637.961	9.268	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	408824933	BNIIPBFUGLIUQA-RWPZCVJISA-N	587.883	5.005	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408825546	CZJVVYLYUGZKTQ-FNTLCPBMSA-N	746.864	5.351	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	408830023	QVCKCDLEXMFUKE-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccccc4)c(Br)c3)cc2)cc1	408835961	ORVKEERRKMHVKS-YZSQISJMSA-N	553.456	7.461	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Cl)cn34)o2)Cc2ccc(Cl)cc2Cl)cc1	408836854	WGYRWAHWRMTCBE-DMWKKASYSA-N	644.968	6.659	50	40	KKGB	
N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838600	GSHHTUNDNGIPBC-FABQOPTDSA-N	564.070	7.422	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408843603	AAEBBLTYMZYSDC-PPDIBHTLSA-N	562.645	6.954	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cn(Cc5ccc(Cl)cc5)c5ccccc45)cc3)cs2)cc1	408844316	NHWFDFMCKWZBTB-MWBNBJEGSA-N	576.125	8.282	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)Cc4ccccc4)c3C)sc3c2CCCC3)cc1	408844438	IXWQYNHSFUFOOE-BIZUNTBRSA-N	524.690	6.288	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc2c(c1)OCO2)c1cc2cc(Br)ccc2o1	408847751	OFJFSCKJHFYRSP-BCHBDCPOSA-N	572.209	6.029	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(C)cc1	408856731	KVFOPKQJMNWRIK-NUJZUDFISA-N	541.829	6.899	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	408857024	KICIZZOXLLZKIV-KCSSXMTESA-N	514.412	7.783	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408861081	MIEYCIWWPDKOLO-ROPCREHHSA-N	678.392	6.084	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408864584	YASMGYGJPXDUMR-BIZUNTBRSA-N	622.541	5.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1Cc1ccccc1Br	408871132	YGTQIDBYGFUQNM-CIAFOILYSA-N	568.309	7.364	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccccc1Br	408883203	RWTSIHUWKZHXNU-WOJGMQOQSA-N	621.244	6.716	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(C)cc1	408887526	PBBPOEUZQRMDHZ-PUHLOBNQSA-N	647.517	7.647	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OC(=O)c1cccc2ccccc12	408892632	CIZHSYSOHSBBJT-DEDYPNTBSA-N	616.424	6.683	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C)cc2)c(Br)c1	408895086	LXDRSPVKFUVZFF-DEDYPNTBSA-N	540.255	6.953	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccccc1C	408922791	GOPOFGUQOGHILK-FMFFXOCNSA-N	529.036	6.012	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccccc1F	408923472	IQTLBEQFVFPYCI-VCHYOVAHSA-N	667.167	7.945	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)c(OC)c1	408925485	UAYSGANPADCBHN-YPLUWGEXSA-N	716.383	5.129	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCc2ccc(Cl)cc2)c(OC)c1	408950687	HIWLHGOSSJOHSN-SXWOMVPGSA-N	715.985	5.419	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)c(OC)c1	408952117	JXVNMUIUDJJYIK-HVJLQFNCSA-N	842.400	5.343	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408970480	AAFDKJSPXLYPGI-QOMJVYGCSA-N	768.319	8.295	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409004253	BNTUBPZRKNULFD-RUMWWMSVSA-N	606.542	5.412	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1C#N	409006406	JDAHSHHOFRMDRE-VYVUJPJFSA-N	579.282	5.414	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=N\NC(=O)c1cccc2ccccc12	409019595	JXSDEPOXDMZJIX-ZIGIQDIVSA-N	585.572	6.350	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025317	PNNMWPRPJBIFMS-QZLBSSPJSA-N	578.090	6.016	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	409031365	AURVLEKOQFCUAL-ATZGPIRCSA-N	615.871	7.569	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1	409110248	AGDOEDKNEUEUBC-YPXUMCKCSA-N	515.293	7.091	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1	409119739	UDNUTNWDAZPEAT-WKULSOCRSA-N	539.963	5.103	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccccc2C#N)C2=C1CC(C)(C)CC2=O	409124150	KLUMRZFGCVGJOH-SANMLTNESA-N	561.480	5.282	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)cc1	409137064	ZURACYQTBYXPQB-MUFRIFMGSA-N	542.444	6.151	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(CC)cc3)c(OCC)c2)cc1	409155122	BUVRHXNEWGTADK-KCSSXMTESA-N	581.069	5.196	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(Cl)cc1	409191685	KRZQYDVJNAQRQB-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409217825	BZSLBIGIQMJZEV-TULBLKEISA-N	603.418	6.537	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12)c1ccc(Cl)cc1	409219843	QVKNIPIWEGSPHW-LKANYEMDSA-N	549.989	5.446	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2cccc(C)c2)c1	409225398	QEGNHVNLOGNCKS-UHFFFAOYSA-N	620.887	6.655	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409225965	RTXJCXLXYBBMQY-UHFFFAOYSA-N	679.276	8.010	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2)c1	409226306	UTXQSNWKGPZWQG-MIZIBPICSA-N	602.872	6.738	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409251092	OHUXONHCVMNYRO-CDLBOOTPSA-N	688.637	8.657	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCCCc1ccccc1	409252446	RXADSSRHGLCNMU-XYGWBWBKSA-N	604.342	7.600	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	409314837	UCLDUCUJCUUNLN-MUXKCCDJSA-N	594.833	5.703	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)ccc1OCc1ccccc1	409324673	UTXPBLHEMSFAPV-MZFJOGFUSA-N	623.525	6.267	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(C#N)cc1	409370668	CBGAQZCKJNPMPM-OCKHKDLRSA-N	539.183	6.635	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccccc1	409395872	SQHCHQHRONXBAA-UHFFFAOYSA-N	528.395	7.125	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396930	DBHMQMUPVVCDBA-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3O)o2)cc1	409405939	VLCUMTSBVILPIG-WKIKZPBSSA-N	508.918	5.297	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	1529544626	KIZWZDFTWHDONZ-YPAGDCKQSA-N	748.703	7.459	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1I	3255388	HSVILBOFKZRUMP-QGOAFFKASA-N	514.750	6.069	50	40	KKGB	
O=C(CCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	4113778	DCQCVVWVDUKNGO-WXGDAXOSSA-N	534.616	5.225	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(OC)cc3)cc2)cc1	8399142	LFSQXMFUWDIJMO-FPDMBJSUSA-N	539.035	6.477	50	40	KKGB	
CC1(C)[C@]2(C(=O)Nc3ccc(SC(F)F)cc3)CC[C@@]1(C(Br)Br)[C@H]2Br	8440323	MVGNVPKHTRSMIC-ZTFRIQLXSA-N	562.112	6.626	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1ccccc1	58980289	PCDKVSUUAAAMGU-UZWMFBFFSA-N	521.573	5.629	50	40	KKGB	
C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](C(=O)O)N2	97952145	CNUOJWXPQWZPJF-ZPLYHYRYSA-N	530.046	5.360	50	40	KKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1	97964879	SBERKHQDSJSCAL-UHFFFAOYSA-N	500.437	6.055	50	40	KKGB	
CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(OCc4ccc(Cl)cc4)cc3)CC(=O)N2C1	98048480	BGYFVSUOICUZIN-DEOSSOPVSA-N	532.065	6.537	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048733	UGJRMNBCDIZTAA-LJAQVGFWSA-N	554.672	5.724	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C)ccc3C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048770	UUVPBYHAQFYRKZ-GDLZYMKVSA-N	554.672	5.724	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3c(C)cccc3CC)=C(C)N2)cc1	98048898	VZXQIODLOUPPFW-MUUNZHRXSA-N	540.689	6.419	50	40	KKGB	
CCCCC[C@H](Br)[C@@H](Br)C[C@H](Br)[C@H](Br)CCCCCCCC(=O)O	100010958	HTORNZPNCYXGMR-YVSFHVDLSA-N	600.068	7.826	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	100129906	GSFZPYQOKYCART-RGXNXFOYSA-N	563.123	5.440	50	40	KKGB	
O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Br)cc2)cc1)c1cccnc1	100549032	SWYXRJFCDKFRTD-NXENVEDLSA-N	524.422	5.964	50	40	KKGB	
COc1cc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)ccc1O	100857002	DOYQSHHQBRJYON-MBTHVWNTSA-N	542.448	5.588	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1Cl	102718214	LHWNOBRDPUZPMF-NDEPHWFRSA-N	593.536	7.017	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C)cc3)=C(C#N)[C@H]2c2ccco2)c1	102808055	XMKLRXGCIXUPJY-MHZLTWQESA-N	544.633	5.312	50	40	KKGB	
CCOc1cc(C(=O)NNC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc(OCC)c1OCC	103025936	SDLYCQOXMVXHQO-UHFFFAOYSA-N	539.610	5.325	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccccc1[N+](=O)[O-]	103754333	KUWQZKOBROCPMN-UZWMFBFFSA-N	574.622	6.428	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1	103896878	NSFABGKONJCQMY-MZJWZYIUSA-N	564.889	5.074	50	40	KKGB	
COC(=O)[C@@]1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C)/C(=N\NC(N)=O)C1	104074148	UEHPPJREDWXIJQ-NVGXMGHWSA-N	581.798	6.447	50	40	KKGB	
O=C(N/N=C/CCC1CCCCC1)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C/CCC3CCCCC3)cc2)cc1	104815409	QQOSHFXBYTVNPT-RPCFCHPGSA-N	632.802	6.996	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	150385700	HHXXNOODAWMYOQ-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	150464252	VBGYPJORGZIDQC-ATZGPIRCSA-N	657.532	6.143	50	40	KKGB	
O=C(C(=O)c1ccc(/N=C\c2ccc(N(CCCl)CCCl)cc2)cc1)c1ccc(/N=C\c2ccc(N(CCCl)CCCl)cc2)cc1	150487064	QCNBTJRYIGBWIN-ZHEAWEGVSA-N	696.506	8.821	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl	150600403	PQIAWXJGPNTZOZ-XDHOZWIPSA-N	628.476	5.530	50	40	KKGB	
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O	214478526	UQWVSIQLTSBBHZ-XZLYSUBVSA-N	528.938	9.865	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(Br)cc1	408526690	DCMKJWHOWTUTEI-MFOYZWKCSA-N	676.517	7.955	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc(Br)cc1	408532844	RFEHIKUQRKXFNJ-MFOYZWKCSA-N	720.968	8.064	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1	408540618	UKUIUNITAOYQIE-ITYLOYPMSA-N	539.031	7.442	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(I)cc1	408569671	PIMHHZWQPPYRGB-YVLHZVERSA-N	525.321	5.958	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc(Cl)c1OCc1ccccc1	408603657	GTFUTBUYZLZQFK-NRFANRHFSA-N	508.018	5.431	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408641162	KVRDDUHSSHQUPN-KHPZZNPASA-N	685.196	5.543	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408642831	NZDJULJFOKANBL-HNNXBMFYSA-N	671.550	8.280	50	40	KKGB	
CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)c(C)c2)CC1=O	408665339	OVDOSDUAAKCNNH-LBRNTXKHSA-N	660.403	5.505	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408682087	IPCSVBIEJVTGKZ-MHORFTMASA-N	634.108	5.381	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408721830	ZWZSKSMQXZAERH-ZCTHSVRISA-N	532.065	6.116	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccc(C)cc1	408724503	AQQCIHNABDDHSO-UCQKPKSFSA-N	519.439	6.843	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408746386	SHZYXUAXLDRYFL-YVLHZVERSA-N	562.247	6.898	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(I)c2)ccc1I	408748041	XKGUNAIEUCOZFD-LGJNPRDNSA-N	626.232	5.556	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccccc1	408748212	ADNWADDIRGYOLJ-VULFUBBASA-N	532.232	5.953	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408759946	OSOFJGGHSCCKOB-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)C(C)C)cc1	408762706	KZAXIFGDLLWAEB-IKOBEORISA-N	529.662	5.180	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408773699	SYHKIKMQGHNWCX-SFVIFULWSA-N	591.513	6.643	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2cccc(C(F)(F)F)c2)cc1	408774108	ATYLTBYPDLHKIH-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408789995	TVYNVOWLUNMPCM-LICLKQGHSA-N	562.247	6.985	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408792992	CNPHBXFVOKZKEV-LPYMAVHISA-N	504.970	6.124	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408793828	GXBWTAVJGJMHGB-VCHYOVAHSA-N	698.682	6.460	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccc2c(c1)OCO2	408842763	KRTQIMZFQXIZCW-PNQUVVCRSA-N	541.555	5.735	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2cc(Cl)ccc2C)cc1	408866473	FZNGAFKQXKMRMJ-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408869448	POHPZIYCIPBDEH-PPFNPFNJSA-N	600.697	5.000	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1	408875617	KSEBCDPBKLEJQW-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OCc1ccccc1Cl	408876817	QXWYRZBDAXKNAG-LPYMAVHISA-N	506.986	5.558	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408887189	MJIAWAIGMXAPER-BRJLIKDPSA-N	563.748	5.874	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2I)cc1	408887342	PUKRVDDGUHSKPM-KKMKTNMSSA-N	699.377	6.635	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408891161	MKJUJDSIEJFFOU-LDADJPATSA-N	576.790	6.929	50	40	KKGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1cccc(I)c1	408892321	ALSNGXCOZDXVAT-JVWAILMASA-N	520.326	5.428	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408892857	DHAKGINDQIEXPZ-KOEQRZSOSA-N	603.096	6.940	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408897317	RKNMYMATPHPKFU-NHFJDJAPSA-N	545.038	8.197	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)c2)cc1	408924746	OCPBSLBBOVHXDF-CXUHLZMHSA-N	575.386	5.173	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(Cl)cc1Cl	408942118	FTZPSVGUZIRHRV-MUUNZHRXSA-N	736.472	6.229	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(OCC)c1	408945102	KDASUUITTUBXPG-MGBGTMOVSA-N	778.669	6.307	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1	408947159	APMPQVMKZWXJCO-OLDUKCEXSA-N	671.534	5.310	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408948203	QVHUJAUMJPOKPU-DBSPGSINSA-N	607.110	7.205	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(I)cc3)cc2Br)c(OC)c1	408949813	GEYFPKCLHMHOQK-LOMSXHPKSA-N	807.436	5.370	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	408952054	VDIYFKCCBUWZFL-MHZLTWQESA-N	716.010	5.265	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408972811	VVFXLDZDLGOAJL-BDJMIEHVSA-N	792.352	8.141	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408982763	FFAKLTIKVBCZIB-MFOYZWKCSA-N	550.667	7.842	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cccc(C)c1	408995150	ACUUFIWFAIJAGZ-FMFFXOCNSA-N	535.600	5.938	50	40	KKGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408997460	GLNQBUHIZWRCNC-APSNUPSMSA-N	661.181	8.115	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c2ccccc2)cc1	409003590	SZNOTEXHKGNBQL-OJANRJRPSA-N	566.035	5.167	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	409003781	UVDNYXKTSNETLA-DMNWFQLLSA-N	596.471	5.292	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	409012861	IZVZDHQOZBUAIW-NXLZZOGASA-N	678.569	6.345	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1Br	409024555	DPSFJRPIFYABTQ-MZJWZYIUSA-N	584.323	5.168	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1cccc2ccccc12	409054585	SWOLMFBTIQFSDR-WCMJOSRZSA-N	598.868	7.148	50	40	KKGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OCC	409062874	CFSYDMFPGLEGAI-UUYOSTAYSA-N	531.188	5.005	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409142522	ANMJCPWKMMOHPR-LUOAPIJWSA-N	719.111	5.659	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1ccc(Cl)cc1	409193701	KWTPRPOPFRKAKA-BRJLIKDPSA-N	569.624	6.050	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1	409220275	VZKHKQCCOLHNJQ-UHFFFAOYSA-N	662.493	5.719	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)c1ccc(Br)cc1	409223992	JSHLVXWOPIRKRL-UHFFFAOYSA-N	630.451	5.812	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5cccc6ccccc56)(c5ccccc54)[C@@H]3C2=O)cc1	409226718	RUPDIZQBZLBEIN-VWHDHYMVSA-N	575.668	6.044	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c2)c1	409227025	WZUBPTHWPCXUKZ-UHFFFAOYSA-N	546.410	6.537	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccc(F)cc1	409252889	FIUYVYLPAJNGSL-XCHWQBBTSA-N	554.416	5.069	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1	409261127	AFTKNNCBVYBKPA-ODLFYWEKSA-N	583.280	6.392	50	40	KKGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1)Nc1ccccc1Cl	409270738	HVXZLEOBQBWRHQ-OHUYPAJKSA-N	582.085	6.989	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1OC	409315702	WNEDHGRPKHJCFK-MNDYBZJGSA-N	631.321	5.875	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)ccc1OCc1ccccc1	409321264	SJLUFUDOROAUNN-YKQZZPSBSA-N	511.534	5.525	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OCC	409331481	DIEIADLUYYDMRC-FDVSRXAVSA-N	526.973	5.187	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c1	409368087	NDDALJRNTXHGPN-LGJNPRDNSA-N	500.780	5.404	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccccc2OCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409369223	IFTXWTWKZRDSDN-GXBUFBABSA-N	569.727	5.840	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1F	409371684	JYMHWUOTJIBOJY-NVMNQCDNSA-N	530.293	5.990	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1ccccc1F	409372487	YKIUTYXLEKFZAQ-SXGWCWSVSA-N	524.160	7.380	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)cc1OCC	409395793	RVLJMQYKJAYYNS-UHFFFAOYSA-N	774.293	9.447	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409395992	UXOVAJNSRKVOEY-UHFFFAOYSA-N	766.830	7.894	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Br)cc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409397069	FVEQCZSRUYCUOK-UHFFFAOYSA-N	690.934	7.176	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OC(C)=O	409401855	IKRYCLLGEXXBEJ-ACXHZZMFSA-N	641.462	5.959	50	40	KKGB	
CC[N+]1=C(/C=C/c2ccc([C@H](Br)[C@@H](Br)c3ccc(OC)cc3)cc2)C(C)(C)c2ccccc21	605822542	GZENMWNQKLXGBG-FEEKTLLDSA-N	568.373	8.377	50	40	KKGB	
COc1ccc(-c2coc3cc(CC(=O)OOC(=O)COCCOCCOCC(=O)OCC(=O)Oc4cc5occ(-c6ccc(OC)cc6)c(=O)c5cc4OC)c(OC)cc3c2=O)cc1	2061000361	SIQQXGFWSHNRRD-UHFFFAOYSA-N	898.823	5.010	50	40	KKGB	
COc1cc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(OC)cc1C	2288458	OBSCNOVVYJIKPT-PTNGSMBKSA-N	524.396	5.981	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)cc1	4018602	RDHSPTTVEQOUGZ-WJESODARSA-N	636.728	5.263	50	40	KKGB	
Cc1cc(C)c([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1CN1CCOCC1	66089577	IHMWFSMZXBWBEW-MUUNZHRXSA-N	531.100	5.730	50	40	KKGB	
COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@H](C)O4)C2=O)cc1OC	97946821	GXMSLISPEBNZRG-FJXFDBCWSA-N	614.702	6.023	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1	97960769	KFDJPZXGDQBOPZ-SGWCAAJKSA-N	528.055	8.573	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCCSc3ccc(Cl)cc3)cc2)s1	97965000	LAZQRTHOUIHICH-STBIYBPSSA-N	566.108	5.616	50	40	KKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)o2)cc1	97968640	HMWCPKXBXOBBCJ-WXNAFCGMSA-N	560.672	6.812	50	40	KKGB	
COc1cccc([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4ccc(C)cc4)s3)C3=C2C(=O)CC(C)(C)C3)c1OC	98006085	KCHNWJLOGFFJRD-XMMPIXPASA-N	573.744	6.097	50	40	KKGB	
CCOC(=O)C1=C(COc2nc3c(cc2C#N)CCCCCC3)SC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	98043748	QPZDNPPJSSWLDZ-XMMPIXPASA-N	535.069	5.686	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccccc3)o2)cc1	100211189	XRDAJMFFSQFXNS-FDAWAROLSA-N	596.061	5.131	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	100387411	RCAVHQBDTWEKIB-LUOAPIJWSA-N	523.760	5.692	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccs3)cs2)sc(C(=O)Nc2ccccc2C)c1C	101081139	YNCSWCMCUVYQFZ-GHRIWEEISA-N	534.688	6.956	50	40	KKGB	
Cc1ccc(N[C@@H](c2cc(Br)ccc2O)P(=O)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	104168727	WRBAKNLILATWPU-AREMUKBSSA-N	537.350	6.496	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCc1cccc2ccccc12	106138124	LHIOQOMUDZXVMY-QXUDOOCXSA-N	620.531	7.412	50	40	KKGB	
O=C(CCOc1cccc(Br)c1)N/N=C/c1ccc2ccc3ccc(/C=N/NC(=O)CCOc4cccc(Br)c4)nc3c2n1	150347799	IIGIHADSRLXOIZ-CQFWSYKGSA-N	718.406	6.146	50	40	KKGB	
O=C(OC[C@H](I)CC(F)(F)C(F)(F)F)c1ccc2cc(C(=O)O[C@@H](I)CC(F)(F)C(F)(F)F)ccc2c1	150381623	MSXGGRUKKADJCK-HUUCEWRRSA-N	774.127	7.894	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1	216062696	ZFTMURDTBAYTQQ-JVWAILMASA-N	544.389	5.432	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@H]2C[C@@H]([C@@H]3C(c4ccccc4Cl)=NO[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	245318977	YMVIZMMZCSLVDC-KZULEZHPSA-N	648.079	7.474	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccccc3)cc2OC)ccc1OCc1ccccc1	408541159	YCXACMAHWXXBGH-APTWKGOFSA-N	589.486	6.778	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408566924	BMLAJXJJMNHDNQ-IPPBACCNSA-N	563.579	6.414	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3cc(Br)ccc3OCc3ccccc3Cl)CC2=O)cc1C	408605465	KHICOIHEJBDOJA-IBGZPJMESA-N	542.861	5.795	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)CC2=O)cc1	408611900	XMBFOQOHXXNUQY-GOSISDBHSA-N	544.435	5.476	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408655893	SAYAIYMPQRVISI-LKNXBEMVSA-N	691.631	6.009	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1	408725606	LEAUJTVMOILMFZ-MOSHPQCFSA-N	555.856	7.025	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408742071	PBCMNQOREXHFAK-HNSNBQBZSA-N	709.325	7.490	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408743535	AVNBCKGEBTXEBQ-WQRHYEAKSA-N	666.253	6.038	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)c1	408743541	AXPSNGNEFHATTA-GRSHGNNSSA-N	525.374	6.120	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	408745025	OUPXEYLVWNHQPH-GRSHGNNSSA-N	664.237	6.027	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408745210	QFRVLIVFGYWKNL-WQRHYEAKSA-N	546.248	7.279	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1cccc2ccccc12	408748831	IFCQUDRZVFBMPU-OKCVXOCRSA-N	629.292	6.949	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408750292	ZJMJZRDLKNVGAW-LQKURTRISA-N	600.434	5.293	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl	408782411	IFODADFQJXUXSA-QPEQYQDCSA-N	556.711	7.912	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)c1	408791765	CBVZNRZMSFCCNT-VXLYETTFSA-N	760.151	7.242	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1	408793191	DJHUWFXAAHZHCI-GIJQJNRQSA-N	635.227	6.104	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1F	408793391	DWHFSZUSMDWQJQ-WOJGMQOQSA-N	576.793	6.607	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	408802455	FGIMKIGRTRLQIT-OQLLNIDSSA-N	510.759	5.596	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408809673	HLRPIFVFLNGCAE-LSCVHKIXSA-N	625.144	7.329	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408812758	XFXZYWLMDJQVNB-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408821731	AMHJLXMDBJWUAT-OEAKJJBVSA-N	663.322	7.823	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408821940	AUCKVQNXDFJJGK-LGUFXXKBSA-N	623.934	8.959	50	40	KKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c1	408836831	WBLYDSULEMRTJM-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408838919	KECSEFQVJJUBEP-KULFSUQXSA-N	635.548	8.741	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408839045	MBELWEKPPQMTCB-UHFFFAOYSA-N	563.260	6.298	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408841466	HEDQNNKKKZUVDN-KKMKTNMSSA-N	586.377	5.768	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408841959	HJKKSINZPMDGPK-ROPCREHHSA-N	690.175	7.754	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)sc2c1CCCC2	408843488	NFMBJQMYYJXJDR-IZYHBKOJSA-N	658.249	8.496	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408847916	WTEWJPFJQAIOGG-XKZIYDEJSA-N	589.446	6.082	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408856743	QXOUIJXDYXWZOB-FXMZOFOKSA-N	625.086	7.202	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408865695	DNVFIQOLTDHYOB-NDZAJKAJSA-N	537.682	5.145	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2c(C)ccc3ccccc23)c(OC)c1	408874582	CBXMHNLUFBZFLZ-BUVRLJJBSA-N	602.472	7.449	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Cc1ccccc1Cl	408879815	GWVOPUOKXDRGGT-VCHYOVAHSA-N	519.350	7.547	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Br)cc1C	408884817	YIZZOURVQYMJCA-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408896090	MTQARKQSGZDMOS-VIZOYTHASA-N	571.085	8.187	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1OCc1ccccc1Cl	408899506	PXGQPSDOFKNCSZ-CCVNUDIWSA-N	531.834	6.161	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)ccc1Br	408905144	UITUTFXDVWXAKD-ZRGSRPPYSA-N	551.666	6.908	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1	408924801	OKQRORQXGAGXRS-RWPZCVJISA-N	513.402	5.987	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)c(Br)c1	408938794	AFAATHFVJAUCBO-NDEPHWFRSA-N	672.001	5.567	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)c(OC)c1	408948284	COHJFEDGQXFTET-OIDCUBQPSA-N	811.457	6.304	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(I)o1)C(=O)Nc1ccc(Cl)cc1Cl	408951812	KEBLJAPJJHAEAC-CLTKARDFSA-N	511.928	5.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408951895	JFSSVHHRPVRCAQ-JCJNOXTJSA-N	797.430	5.914	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408958362	YBWAMFCXESENGY-ZWMDOUSSSA-N	725.626	6.428	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408960810	JCNPBIITXXVVHE-XODNFHPESA-N	582.363	5.543	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c(F)c1	408966389	LIFPHAOITDMOKT-IPBVOBEMSA-N	565.624	6.219	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1ccc2ncccc2c1	408966523	NBLOLWWZPBZCKG-KKMKTNMSSA-N	542.231	5.637	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1	408972349	RRPHFJCUJYDGHR-SZXQPVLSSA-N	528.649	6.335	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1cccc(C)c1	408979701	OCWFSELOAKGIHX-LMLUNKDASA-N	571.699	5.451	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408985086	VBMIXYUVZJKBAJ-YBFXNURJSA-N	617.827	6.685	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	409044198	UFFIJOSAQIENLP-MHWRWJLKSA-N	505.354	5.754	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccccc1	409045261	IHMVJCHAAXTYJZ-GZTJUZNOSA-N	540.801	5.674	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1	409050108	YWMIYFPSZYUNET-CIAFOILYSA-N	564.233	7.916	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1	409060379	ZLISOBDUWGDALA-LICLKQGHSA-N	591.097	7.099	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OS(=O)(=O)c1ccccc1	409064835	FTAIXKOUVZNPJY-HMMYKYKNSA-N	508.983	5.390	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCc1ccc(Br)cc1	409069563	LODASLYCNDYPKR-HZHRSRAPSA-N	561.432	6.097	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Cl)cc1	409107611	SNJQEATWSNDWJD-HSZRJFAPSA-N	541.785	5.637	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1	409134356	NYPVGKAUYSUHLM-QNKGDIEWSA-N	603.697	5.027	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409163427	RGLYVSMPDSJKRG-IBBHUPRXSA-N	551.043	5.079	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	409183745	FWZUVJCMVAYMMO-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1I	409187871	VIMDCDGXFZYLPE-MSXFZWOLSA-N	616.193	5.369	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(I)cc1	409214212	RPKKJEMPXLIHJT-HAHDFKILSA-N	566.395	6.970	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409222215	BCOBEWPZMJMXPS-PHLXGYSYSA-N	760.317	7.774	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccccc3Cl)cc2)cc1	409225154	PDEMBYWVBSGIMA-KYHGBAKBSA-N	546.410	6.537	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1ccccc1	409236033	RGIPLYFRPSPZPW-IWEBCOIVSA-N	513.794	6.605	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409243811	URGNZMLQIYNABK-MTEVNVADSA-N	582.394	5.361	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409254840	GBPPYVGDWDCHHN-AEVGBRMKSA-N	766.061	8.300	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2)cc1Cl	409260014	JFHYCSHNRGTBJJ-XJECJHNESA-N	630.557	7.950	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409260278	NUMPIWRVRAVZQW-RQZCQDPDSA-N	526.376	5.579	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	409342799	HKITVZDNZLWJEY-KKMKTNMSSA-N	629.211	5.176	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)[nH]c2c1	409373248	GDCGMVWWOSCABO-QJOMJCCJSA-N	531.685	7.536	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409373340	HEFPGNFFGMMLFP-YVLHZVERSA-N	582.373	5.705	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1F	409379115	UIMYBEKZYWVFTC-XJECJHNESA-N	630.101	7.136	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(c1ccccc1)c1ccccc1	409390304	CHZPQROBAGJNFQ-KYHGBAKBSA-N	612.749	7.726	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409395022	IXJZRXIGUBIPRA-UHFFFAOYSA-N	537.019	6.537	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)[nH]c12	409395519	OPVDYEKOZOBZKT-UHFFFAOYSA-N	750.625	8.361	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409398392	SRVSTYCHLBVSNT-UHFFFAOYSA-N	521.573	6.427	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409399119	XVWDRXLMAABLCH-UHFFFAOYSA-N	606.437	7.281	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409399348	ZUCNYFZLZBIOMU-UHFFFAOYSA-N	555.556	7.399	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(OC)c1	1529548098	XSQKFZPRRMRWPA-NJLXJUSUSA-N	673.191	5.966	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12	1529548524	IEKCBUUOAQJWIZ-BNWCFHQTSA-N	660.594	5.337	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1	1529548678	LNVOFWGGUAEWBP-JYALLGCPSA-N	716.452	5.676	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1	2166429	KIIRDUAAXGLTNB-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	6190620	OTBLLVABQNQSRY-WTAXBKJTSA-N	519.645	5.689	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1	20059625	SCULHVTYAQBRMC-WPWMEQJKSA-N	520.438	5.128	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccccc2)cc1	33412496	SEQCMDPFZNYXRB-GPPYRFLMSA-N	504.542	5.597	50	40	KKGB	
CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccccc2Cl)c2ccccc21	46084980	BWUDNCCREAXKKQ-QVTSOHHYSA-N	506.002	5.355	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1	58913316	OBMODRIZYCOVKY-VFLNYLIXSA-N	506.912	5.254	50	40	KKGB	
c1ccc(-c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1	100047406	IKGBAFZQBXORMN-UHFFFAOYSA-N	514.608	9.085	50	40	KKGB	
BrCc1c(Br)c(CBr)c(CBr)c(Br)c1CBr	100363133	DBEGHOGOADVKFB-UHFFFAOYSA-N	607.598	6.791	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(Br)cc1	100866957	WUBAPSHUEVBMAZ-TURZUDJPSA-N	534.483	5.946	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1	100875678	RKNXPYICICBYNB-YDYXIROLSA-N	534.435	5.523	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCN(Cc1ccccc1)C2	100875964	LHRMWGNUYLABFY-KGENOOAVSA-N	606.531	7.596	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc2ccccc12	100952663	JPWDNNFUIXDJNW-HMAPJEAMSA-N	545.408	7.265	50	40	KKGB	
O=C(c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCCC1	101157065	JKDIDVNIQNANCB-RETDVDAXSA-N	612.977	7.632	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)=C(C#N)[C@@H]2c2ccco2)c1	101708093	CGGIKQWECDDDSP-HHHXNRCGSA-N	589.630	5.220	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1ccc(C#N)cc1	102978982	GAAGKBBQJHCOHG-LQKURTRISA-N	541.243	6.125	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1cccc2ccccc12	103886526	KOALRYJCYSIASH-NDENLUEZSA-N	526.374	5.417	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)c(Br)c1O	103891119	YJCUBJMXGMLURG-POHAHGRESA-N	535.019	6.168	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc(C)cc1	103897307	GZBYZMHKHIWPJU-RUMWWMSVSA-N	557.672	5.318	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1sc2c(c1C#N)CCCC2	104951915	AMZYQJPVNQKDQZ-WOJGMQOQSA-N	536.426	6.525	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccc(Cl)cc1Cl	112258202	QMIVTVKJOJWFFH-CAOOACKPSA-N	617.352	7.701	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	150427460	FTQWTLIPWCQIGE-NVJOKUIPSA-N	648.122	6.641	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	216061515	PHURTYQGFJTREO-VFLNYLIXSA-N	615.149	7.650	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c3ccccc32)c1	408545178	ZQARVRNYZLASDX-ZHZULCJRSA-N	514.379	5.784	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550938	ILCYHNIOQROJTI-BJUCDSOZSA-N	629.338	7.018	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408639550	FXTXBBGTHLRCNZ-KYBNSWPASA-N	631.148	5.544	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Br)cc1	408661439	XCAFHIJXTPXTPW-JXYJOFSCSA-N	673.583	5.121	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccc(Cl)cc1	408723278	PWJHQNLRMVWNRQ-HBKHLPLRSA-N	566.444	5.960	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	408726159	QLBRAAQDTMLGCT-MOSHPQCFSA-N	566.408	6.279	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=N/N(C(C)=O)c2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1Br	408734634	APAQVPPVGZFMSB-RSLIBCCBSA-N	594.075	6.099	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1	408742608	BPKDWOSDMVMCRP-UNOMPAQXSA-N	556.254	6.735	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408747840	UNGNQTXUFIJYRS-KQWNVCNZSA-N	560.879	7.635	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Br)cc1	408753587	GPUZEWQUVPZTEU-PTNGSMBKSA-N	516.178	6.521	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408753667	HCYSHBVEHFFPRV-OJANRJRPSA-N	602.551	5.188	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408754444	KINBJNXNQHWBCW-APSNUPSMSA-N	547.192	6.789	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OCc1cccc2ccccc12	408758991	WBATXSRIUJJDNE-MGIIWKBQSA-N	559.688	5.189	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408763084	NLCCDRYHYCREFS-ZDLGFXPLSA-N	556.800	6.534	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(C)cc1	408763429	DUMFNWWJXZWEDV-JAIQZWGSSA-N	525.830	6.934	50	40	KKGB	
N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N	408777352	YAAMBTUSKXVYLJ-HHELEVTKSA-N	523.065	6.295	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1	408790001	PPGMIPIOKJDYQW-XHLNEMQHSA-N	523.636	8.144	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1C#N	408790177	UPURPMCVZBKHMP-DJKKODMXSA-N	526.807	7.042	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408793281	DRVNJEFCNJTOSL-XDHOZWIPSA-N	525.786	6.014	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408794299	RWUQIVGOHGFMJK-QGMBQPNBSA-N	651.682	6.838	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccc(F)cc1	408798301	VQRGFTPLKVURQS-UDWIEESQSA-N	508.933	5.789	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408801500	UBRCTJACWQUJJG-TURZUDJPSA-N	545.038	8.197	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2c(C)ccc3ccccc23)c1	408804604	YVAWMKBVSOLJAQ-FYJGNVAPSA-N	517.412	7.588	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)c(C)c3)c(OCC)c2)cc1	408811896	OPSSZLQXDMYLII-OEAKJJBVSA-N	549.465	6.988	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccccc1	408812297	MOWLHFQTIRBPJH-HQXXTQMQSA-N	511.419	6.966	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	408815235	HAKQUQPUQCYMJS-VFCFBJKWSA-N	554.606	6.951	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408826436	DGXFSYCXTNCAPO-ATZGPIRCSA-N	613.567	6.372	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1Br	408829396	FUDJPVPQDAQKCF-LDADJPATSA-N	542.227	6.345	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408829656	PPSULQHAPWEYFD-JSPSUGDBSA-N	534.237	6.507	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408838603	GTRNKETXIQILHG-FJEPWZHXSA-N	595.906	6.754	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1cccc2ccccc12	408839804	ANERBSYVNIAKLG-KVAAJVFYSA-N	560.601	7.331	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccco3)cc2)cc(OC)c1OC	408840632	ZPVVKZMXXBNUNW-WCMJOSRZSA-N	622.428	5.303	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(Cl)cc1	408842753	KMYMHNGGBRWTNT-HBHSWBPBSA-N	667.935	7.992	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc3ccccc3c2)cc1	408851160	VRLUXCRNWSZBIL-PNEAAFPUSA-N	535.647	7.949	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)cc1	408855906	HZFKTODBEHIEQZ-PTZDRTPLSA-N	647.606	9.510	50	40	KKGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408857821	PENFDCXZXXBMHA-FSGOGVSDSA-N	559.407	5.833	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408891231	NFLNHGFISCRPPY-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1O[C@H](C)CC	408904820	PCECDNHIUQQFLV-IFUVNARDSA-N	551.337	5.286	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(I)c1	408941334	DMLAYKNEGNIHNF-GDLZYMKVSA-N	835.515	5.694	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1	408973761	UWGRQEONXICZBO-FDAWAROLSA-N	529.464	6.911	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408980219	PWSZTSHRIOKLIC-MJUYWVACSA-N	606.520	7.193	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	408982826	FLCJQKXEVFAORQ-MFOYZWKCSA-N	578.663	7.437	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1Cl	408985116	VKNRAEBEPRQVHU-QCDXTXTGSA-N	528.584	5.183	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(I)cc1	408985138	VSBDRISCCCHOAX-NVMNQCDNSA-N	637.699	7.149	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408985145	VVCBFBOHCFOEMK-IUXPMGMMSA-N	516.768	6.988	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1Cl	408990522	NPSLBRDIZAEJCF-QRVIBDJDSA-N	531.837	7.689	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1	408995696	DGWQXFPGKLIKPL-RWPZCVJISA-N	577.347	5.186	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccccc2)cc1	409002660	OYMPFNFXPMGUJD-IMASQNRCSA-N	521.642	5.861	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	409021069	XMPBKZFGAMPHDZ-VFLNYLIXSA-N	657.262	6.783	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1	409029057	VAZZSOPJBCKXQQ-QXUDOOCXSA-N	638.142	5.681	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OCC(=O)Nc1ccccc1	409043666	SXPPOBKHXZXIGK-GZTJUZNOSA-N	504.340	5.681	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)c1	409076174	ZAXRMVHPLUIDMY-SFQUDFHCSA-N	531.815	5.724	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081469	PKFYLVPUNYWKDT-OQLLNIDSSA-N	528.874	7.398	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1Cl	409158985	PRVJIHPVEFRPSJ-MUFRIFMGSA-N	558.860	5.949	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409172517	JSRUOPWHXXVXGA-WXMAUWIXSA-N	663.139	6.178	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)cc2c1	409188365	YPIDOZDGXYSSTM-MUXKCCDJSA-N	537.366	5.635	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccc(OC)cc1	409223806	IDYLNRDNVROVGT-UHFFFAOYSA-N	572.017	5.983	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccccc3)c2)ccc1OC(C)=O	409227248	YKMUGBUROLFYAJ-JVTQRYGESA-N	577.593	5.256	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409230542	FHEXSFRBQZYASC-QHSFOXILSA-N	521.444	7.094	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2C)c(C)c1	409251231	PAFSUUXNGBTXSU-SRZZPIQSSA-N	611.334	7.008	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)c1C	409252469	BXQRUQUFYHCDCT-XKZIYDEJSA-N	532.438	6.246	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409260075	KIXVNYVQHFSFLI-FDVSRXAVSA-N	509.990	5.146	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccccc1Cl	409260297	OESIEMRBQHVNLZ-VZCCZUBFSA-N	512.393	5.084	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409265102	MQGMFYLXSCILBR-QDTIIGTASA-N	612.251	5.778	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409266777	LBIOYKUUJAAZHY-NUJZUDFISA-N	605.860	5.742	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(F)cc1	409271667	VXBUMKOLFUWCFY-LFIBNONCSA-N	528.765	5.805	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(OCC)c2)cc1	409271968	WWJRSTMYRSIVIE-HYARGMPZSA-N	592.490	6.427	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1Cl	409272056	OCGKCEOQJPCSIJ-STZFKDTASA-N	503.986	5.919	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1OCC	409310999	DBTREUZBDWQCIR-NUJZUDFISA-N	566.279	6.896	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409337606	ZVHMVHQOKXKGOV-ACXHZZMFSA-N	618.912	6.080	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl	409363557	UMQKQYJDKXPXPH-VYYCAZPPSA-N	548.808	5.533	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1cccc2ccccc12	409371815	PDQGIQQEHCXDKJ-HMAPJEAMSA-N	502.383	7.783	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409372285	VCRWJWMVWKJNNE-ZDLGFXPLSA-N	544.320	6.380	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(Cl)c1	409372987	RNAROHRZHUAZDJ-PPDIBHTLSA-N	589.726	5.751	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	409373736	TZQMAQAUIYYRHP-XAZZYMPDSA-N	588.285	7.269	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccccc4Cl)c(Br)c3)[nH]c2c1	409391032	HCKIRGCUZVVNBN-PXNMLYILSA-N	529.221	7.284	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409394605	CSMYKGMECZJUTB-UHFFFAOYSA-N	724.793	8.467	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)cc1OCC	409394900	HEPYFMGKGYVOCR-UHFFFAOYSA-N	678.942	8.170	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)cc1	409394912	HICUFEVNXZNEDV-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)cc1	409395785	RRYPZADRDQONIP-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1O[C@H](C)C(=O)O	409398286	COEFVWVPLYOICL-GYDRZMFUSA-N	610.461	5.653	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1cccc(C)c1	409400181	BWLIFEYEXCBRKZ-IDWIKUEFSA-N	577.681	7.316	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(C)c2)c(I)c1	1529547042	IJQFVSZHQGFINH-DMFIQNIRSA-N	777.479	5.826	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1	1531387129	JXXXKKZLUXBFAX-UXHLAJHPSA-N	520.501	5.082	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1P(c1ccccc1)c1ccccc1	1857795127	NTSLMRQKMJNSQM-JXHWHWBKSA-N	607.600	7.624	50	40	KKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@H](C)Oc2ccccc2Br)cc1	2766192	UOWKLCIQKADTQH-DVQSINOTSA-N	503.400	5.528	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(O)c(Br)cc1Br	3038306	YHRVSGQQVCGYTP-WYMPLXKRSA-N	504.178	5.113	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(C)c2)cc1	3116298	KLRDNNLTWNGKLQ-XODNFHPESA-N	559.258	5.610	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	3666245	DISHIBUNFZNMCC-HWLOXFRGSA-N	584.517	8.420	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	8456075	CZBOXXQNDGBSDT-MMTVBGGISA-N	541.007	6.345	50	40	KKGB	
N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1	8917322	AGPBYEIFTMMMJD-MUUNZHRXSA-N	508.961	6.356	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1c(Cl)cccc1Cl	19849148	IPJSWXLVNVVTPX-PPDIBHTLSA-N	503.842	6.287	50	40	KKGB	
c1ccc(P(c2ccccc2)c2ccc(-c3ccc(P(c4ccccc4)c4ccccc4)cc3)cc2)cc1	43242309	RJUKHLSOORRJLL-UHFFFAOYSA-N	522.568	6.870	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1	59105027	GYWGZRAORFBUKT-MTJSOVHGSA-N	520.416	6.328	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	97950475	NKUSFZDDIRHQRE-NDEPHWFRSA-N	536.682	6.608	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccc(Br)cc1	97958116	USXDEVSKPPDQTL-OKCVXOCRSA-N	532.394	5.392	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1Br	97962969	WPNKJVBTCWOTQL-NTUHNPAUSA-N	633.960	7.156	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1OCc1ccc(C(=O)OC)o1	97967759	WKIWNPQQQFFWPN-JEPNHJGPSA-N	597.668	6.358	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	98000017	MPCODNUFADJUME-HHHXNRCGSA-N	563.510	7.008	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)ccc1OCc1ccc(Cl)cc1	98045563	VREPLLZQHMHZGD-CUNXSJBXSA-N	548.039	5.185	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1	98045715	WZTNJDLAKGTIDT-SSEXGKCCSA-N	620.558	7.382	50	40	KKGB	
CC(C)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)NC3=C2C(=O)CCC3)cc1	98048720	IEURKKYZTCSTGH-VWLOTQADSA-N	560.041	7.283	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)N[C@@H](C)c3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	100093165	UNPAKZXTHKHKSR-LIZYOPNSSA-N	627.550	5.613	50	40	KKGB	
CCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	100557596	HBXJPCOGFXIIIE-RRPFGEQOSA-N	541.280	5.235	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1	100988857	RJRPPIXSTZNHKZ-FZBRZNRVSA-N	522.457	6.675	50	40	KKGB	
Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c3ccc(Br)cc32)c1C	102647466	HSHDYBILTNVEMZ-UESCWZKJSA-N	567.528	5.170	50	40	KKGB	
Cc1cc(P(=Nc2cc(Cl)ccc2Cl)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Br)cc1	102940686	GWOOHOBFRYCYNY-UHFFFAOYSA-N	594.320	8.973	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)cc1Cl	150512459	PGESXLCWEVFVNW-QNVXDBMFSA-N	741.875	7.351	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795317	JFGKJLVJKBJQJJ-YUMQZZPRSA-N	1002.090	12.412	50	40	KKGB	
CN(N(P(N)(Cl)(c1ccccc1)c1ccccc1)P(N)(Cl)(c1ccccc1)c1ccccc1)P(N)(Cl)(c1ccccc1)c1ccccc1	195785097	KXBIHLYRIKLMSD-UHFFFAOYSA-N	753.035	7.576	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	216061100	DIXDKIRBLXQYOF-CCVNUDIWSA-N	536.253	6.888	50	40	KKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc2[C@H](C)CC1(C)C	260562636	AXGCVEDFCIFFTJ-SVLFYUKMSA-N	537.296	6.182	50	40	KKGB	
COc1cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1	408538564	OVHWOESQUAMDLS-XIEYBQDHSA-N	525.004	7.052	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Br	408539403	HDRNNCCTJDVRGS-KGENOOAVSA-N	548.319	7.174	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)OC)cc3)cc2Cl)ccc1OCc1ccccc1	408539530	XAVGOQJQSSGVKL-YSMPRRRNSA-N	631.512	7.882	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1cccc(C(=O)O)c1	408542272	IPCKWAFUMLEIIW-JMIUGGIZSA-N	555.324	5.339	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408542719	KSBBYZFGKWHZLT-NVMNQCDNSA-N	507.886	5.080	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1	408607075	BOVOSDHWERRXAU-RWPZCVJISA-N	500.382	5.450	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408637610	AUMRFSXEXZZKGT-FDFHNCONSA-N	533.839	5.572	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccccc2)cc1	408651146	NBENIOHIJOPPCD-ZTTYKKJNSA-N	714.794	5.577	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408689827	ZFDSGYXHIKYPKS-MHORFTMASA-N	634.108	5.381	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(C)cc2)cc1OC	408727496	PXNHDAJGTFHDOR-HPNXWYHWSA-N	623.731	6.090	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408746951	IISMLZBTWSLYCB-WQRHYEAKSA-N	556.210	6.034	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OCc1ccccc1	408749516	QCFDVKONDYPUHF-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408756256	YJKJQBARBNEKCE-ZHSUKTGHSA-N	591.373	7.884	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408758586	NEMIFDICAGCYOX-DHRITJCHSA-N	532.188	5.203	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)Nc1cccc(Br)c1	408761583	GXGBVHRUJLFPKP-WMZJFQQLSA-N	500.972	5.225	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)cc1	408791638	AAKLDQYEEKRNJY-CIAFOILYSA-N	648.282	6.891	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408793858	QNDJIXXLOYYSTC-GIJQJNRQSA-N	560.673	7.298	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccccc1	408796369	NWMLDRXXUSVYGR-PCLIKHOPSA-N	569.455	7.161	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408810065	IBXOQIGFCCPSKB-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	408822140	LBPHTEULJUGJSX-ZVHZXABRSA-N	577.895	8.659	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccc(C(C)C)cc2)cc1	408838178	SGQMXYSOZBXPNZ-UXHLAJHPSA-N	560.632	5.632	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408839808	WMIOACVDZNODNN-QTTLDBPISA-N	703.958	7.860	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc2c(c1)OCO2	408845339	MFJRDAKGHFNTGM-FXMZOFOKSA-N	557.784	5.929	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NNC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3)sc2c1	408846752	RHBLBTUJEWACJO-UHFFFAOYSA-N	588.925	7.712	50	40	KKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1	408856836	RINNKMGXHHMRTQ-ROTLSHHCSA-N	507.837	6.247	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)cc1	408857267	TYIYEOGJKVXFKA-IPHFVPNQSA-N	578.510	7.867	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1	408860620	AJOJMZZZDVRLSH-KBVAKVRCSA-N	610.530	5.415	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Br)c2)cc1	408871465	YHKIPKRBBVAIKH-FYJGNVAPSA-N	568.265	6.525	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccccc1	408875379	FAUJSKLRPARMGV-ZCTHSVRISA-N	593.547	5.765	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2cccc(Br)c2)cc1	408876332	NVOWHPFALKJYBH-LQKURTRISA-N	558.498	5.138	50	40	KKGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1OC	408878085	ZMNAWLHRPXKYNW-SUQUKNIRSA-N	594.289	6.524	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OCc1ccccc1	408885721	FMAVBMWOMFBQTE-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Cl)c1	408890100	NUPBSNBRRQKQAK-WPWMEQJKSA-N	523.032	7.661	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(=O)(=O)c3ccccc3)cc2)cc1	408906185	CWACVMURPHVFRK-MWBNBJEGSA-N	616.061	6.592	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)c1cccc(I)c1	408926046	WWMBYCYXXUUYEL-SEBMTOOBSA-N	674.498	7.552	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	408943563	TXOYPEDZUDNSOX-ZCTHSVRISA-N	614.562	5.510	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccccc1F	408953139	OWAHZDXGOLOLIH-MTJSOVHGSA-N	595.412	5.765	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(I)cc3)c(OCC)c2)c(OC)c1	408955944	PRLFJTUYCPORJR-OQMZEJBMSA-N	868.463	5.602	50	40	KKGB	
Cc1cccc(OCCOCCOc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1	408972698	QSMSPQMSJRFAMA-HAVVHWLPSA-N	535.438	6.086	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409028622	QNDBDTQZYKZRCW-HNSNBQBZSA-N	625.147	5.509	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)Cc3ccccc3)c3ccccc32)cc1Cl	409036784	BLZYOBDTEBIAHX-PSORJPDMSA-N	560.053	5.544	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409037231	STVHSTCMSNVYKV-DLCNMLRHSA-N	743.770	8.107	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)OCO3	409102599	YWERHDDQPMIQCM-QFIPXVFZSA-N	590.655	6.391	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)OCO3	409105577	LFVKHCWCBGOQRG-JOCHJYFZSA-N	668.200	5.561	50	40	KKGB	
CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1O	409113672	FLSNJHDWTHGZLG-XODNFHPESA-N	570.882	5.092	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Oc2ccccc2)cc1	409123767	HVEQTLMKJDDSCF-VUTHCHCSSA-N	611.461	5.429	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(I)c1OCC(=O)Nc1cccc(Cl)c1	409163534	SXGHKMXFMQILBV-FJEPWZHXSA-N	648.885	5.012	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1C	409171980	ACOSAFNNPWMKPF-KNBZMSCYSA-N	642.721	5.833	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)NC1CCCC1	409188789	ALSQVXJGJJFSMA-SXGWCWSVSA-N	522.212	5.895	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	409223051	GBUYMSDQRUXEJV-GATIEOLUSA-N	537.153	5.647	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409255147	HFKFIRMOMGGPFC-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409256813	QDCHJPCWJVPNQN-KBVAKVRCSA-N	513.465	6.961	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)c1	409258184	UDEAJHRPIIHHIP-NVJOKUIPSA-N	549.252	6.154	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409258896	WIOWMJXUOFGBOQ-OVCLIPMQSA-N	657.668	7.447	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl)Nc1ccccc1Cl	409260125	LEEWMGBIOYMAQM-DLCNMLRHSA-N	616.530	7.642	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)cc1	409270967	SGVQIRZMJVVPLG-BOPFTXTBSA-N	585.252	5.783	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(C)c1	409371149	BPJQTQRZSBHXBX-JMIUGGIZSA-N	526.330	6.160	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(I)c1OCc1ccccc1Cl	409373027	VLCOIGUXZWYBRX-WOJGMQOQSA-N	536.797	5.452	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409373681	SMZXBIUBIIGZRY-AMVVHIIESA-N	602.710	7.370	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)cc1	409395061	JJMGLMDYNISIEF-UHFFFAOYSA-N	683.759	8.444	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409395090	JUGSPFLHZJGAAJ-UHFFFAOYSA-N	676.181	9.194	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(N(C)C)cc4c3-c3ccccc3)cc2OC)cc1OCC	409396925	CZZPYIARMRSELO-UHFFFAOYSA-N	620.706	6.690	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409399368	ZZJAYJRSWKWKGT-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)OC(C)C	409402685	KOFFSVIGQUTVBG-NKHVPTTDSA-N	686.987	7.175	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccn3-c3cccc(C(F)(F)F)c3)o2)cc1	409409435	OYJKHSZSBXJDNT-HQDYHJHZSA-N	546.549	6.840	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	1529544442	GGLSVYVEMGUBRV-NGKJQZKDSA-N	669.807	6.696	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1	1529546837	HVFHNYGFAISZPX-XINRNAFCSA-N	797.897	6.171	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2Br)nnc1-c1ccc(C(C)(C)C)cc1	1770168	APVNWJWJJUJASH-AFUMVMLFSA-N	500.466	5.267	50	40	KKGB	
Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)Nc2ccc(Br)cc2)N(c2ccc(F)cc2)C1=O	1790130	UDISLMQFRACYLH-YDYXIROLSA-N	536.426	5.962	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2I)cc1OC	3255446	OLGPQTGHYMUBJI-MDWZMJQESA-N	527.156	5.007	50	40	KKGB	
Cc1cccc(C(=O)N[C@@H](C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(C)C)c1	4782796	UTCSSTMFUMIOKK-VDWIUSAUSA-N	535.475	6.210	50	40	KKGB	
C/C(=N/NC(=O)[C@@H](C)Sc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccc2ccccc2c1	8396629	QGYJANPAOFBLCK-BRWMIJPTSA-N	520.662	6.054	50	40	KKGB	
CC(/C=C/c1ccccc1)=N\NC(=O)c1nn(Cc2ccc(Br)cc2)cc1Br	8780760	OCUJHTBEZXSLJZ-RVIPASMDSA-N	502.210	5.276	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)OCc2ccccc2)N1	9311107	WUYSWHWKUKYXLI-RUZDIDTESA-N	520.010	5.744	50	40	KKGB	
Cc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)cc1Cl	19952023	FODJQPAWQJUHQQ-UHFFFAOYSA-N	518.123	6.621	50	40	KKGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccc(Cl)cc3)c2C)c1	20243672	RJIHPUQVKZKFBL-RPPGKUMJSA-N	504.881	6.202	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1OC	28350669	IYEYXKYOICDYJH-RHANQZHGSA-N	509.031	5.388	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)ccc1OCc1ccccc1	58993645	CFSSVDSNMGJIMJ-UCMJSZAQSA-N	563.683	6.073	50	40	KKGB	
C/C(=N\NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1	97980775	ZEZNHFFXIFWQAZ-VUTHCHCSSA-N	543.674	5.659	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1	100328779	QYXJDQMQCLVFLL-LGJNPRDNSA-N	542.480	5.889	50	40	KKGB	
O=c1cccc2n1C[C@H]1C[C@H]2CN(c2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1	100749151	GFJVJSHWBFFEOY-JDXGNMNLSA-N	594.675	5.746	50	40	KKGB	
Cc1ccccc1CN1c2ccccc2C2=C([C@@H](c3ccccc3Br)C(C#N)=C(N)O2)S1(=O)=O	102066673	HRSYKFPYEYVLBU-QHCPKHFHSA-N	534.435	5.284	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2Cl)N1	102808894	FFJQSGKPOKXRSF-VWLOTQADSA-N	583.928	7.353	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Br)cc1	104953902	XQQSXHPIFQICIV-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	105437519	QUTQTZACJLSVNG-XICOUIIWSA-N	598.124	6.726	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12	112254943	GNURXDGMDBQEKE-AIQSHKMISA-N	606.638	5.644	50	40	KKGB	
CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341345	VGGWEDNADXOLKW-QMMMGPOBSA-N	958.216	12.972	50	40	KKGB	
O=[N+]([O-])c1ccc(O)c(C2N(Cc3ccc(N(CCCl)CCCl)cc3)CCCN2Cc2ccc(N(CCCl)CCCl)cc2)c1	150348743	RJEHJKLRNAYANU-UHFFFAOYSA-N	683.508	7.275	50	40	KKGB	
C[Si](C)(C)OC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F	169806651	MQRJAXFSKBMINU-FSPLSTOPSA-N	568.252	6.237	50	40	KKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc2[C@@H](C)CC1(C)C	223545567	AXGCVEDFCIFFTJ-IETDBYTCSA-N	537.296	6.182	50	40	KKGB	
CCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1)OO	299817255	PJEDIANARLMFBK-GWCGWRJISA-N	681.099	13.221	50	40	KKGB	in-vitro
CCCCCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408539827	ZGLLGJZLOCXDRV-ATZGPIRCSA-N	690.889	9.455	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	408540592	UGBGSZIUAFPANE-BCJTWVECSA-N	546.708	7.566	50	40	KKGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)N4CCCCC4)cc3)c(OC)c2)cc1	408542676	MYFJAQMCRNDMNF-DXJNIWACSA-N	547.677	5.151	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1ccc2ccccc2c1	408548604	JOGWICXVDDOSLJ-QRVIBDJDSA-N	521.785	7.741	50	40	KKGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1	408551102	BDRAVULNMCJKEE-ZRGSRPPYSA-N	521.198	5.537	50	40	KKGB	
CCCCCCCCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1	408676899	AMNCJQDYLQYYLT-RCQJKQRMSA-N	520.464	5.494	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(I)c1OCc1ccc(Cl)cc1Cl	408726320	BEUMTRLZAXVUSN-RPPGKUMJSA-N	593.245	5.179	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1OC	408741188	KLVSWDWYPBBDFN-STKMKYKTSA-N	501.586	6.592	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408744772	MRCINAIWGYVEGQ-MFOYZWKCSA-N	580.693	7.933	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1	408745275	LAERMQLLHVRBBY-HMAPJEAMSA-N	543.417	6.744	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3cccc(C)c3)cc2Br)ccc1I	408745941	BCMKYAGRMHAYBF-UVHMKAGCSA-N	609.258	5.722	50	40	KKGB	
CNc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I	408746063	QNNMITUWIJUDIA-WDZFZDKYSA-N	563.564	5.137	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)ccc1I	408747761	SQONQBSFKNEAEH-KBKYJPHKSA-N	736.098	5.918	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408748632	BJHDYAOCFBCMEN-FDAWAROLSA-N	637.430	5.173	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408752048	FPOLGUAHHFWTTK-CPNJWEJPSA-N	571.449	5.478	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1cccc(C)c1	408792137	IOGQLHVRCJBIKE-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3F)cc2Br)cc1	408793672	PXBDWVCIFDKTJT-UDWIEESQSA-N	553.384	5.898	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2I)cc1	408795270	LVNHZTBINOQAKZ-SRZZPIQSSA-N	601.282	7.104	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	408816397	RRYHEQJCSKEPFG-HKOYGPOVSA-N	503.001	8.080	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C)c(C)c1	408818344	XPYLZHFYLBMYJY-WSDLNYQXSA-N	509.433	7.442	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408835853	ZNFWLPZTBRZNQF-HZHRSRAPSA-N	591.864	7.945	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)c2C)c1	408837839	OTCMTOFYCYUPKA-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5ccc(Cl)c(Cl)c5)c(Cl)c4)cc3)cs2)cc1	408837995	BEQPFRPTBNJQNO-IRWBXMRWSA-N	656.422	9.819	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)O	408840126	BGKFVFOTEDNKHI-AMVVHIIESA-N	609.502	6.251	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408842057	IFOOOAPCAICZKM-XJECJHNESA-N	677.522	7.750	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Br	408842183	NLRSIYGOZOUFLM-KKMKTNMSSA-N	539.377	5.926	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408845596	YIXCGZSITCRUEZ-VQWGYEAZSA-N	767.529	8.811	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)c1	408845907	PVAVIVVMGMZAEK-QNVXDBMFSA-N	710.879	9.383	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)cc2)cc1	408861258	POCMRRPYQSKBAB-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)c2C)cc1	408862457	JTRIZZSOTPWIPB-KVSWJAHQSA-N	560.463	5.614	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408867477	IPUGJVZBNDGZSK-KBVAKVRCSA-N	613.479	5.826	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1Cc1ccccc1F	408876543	PWTKFSOGIIWJRY-LICLKQGHSA-N	591.218	6.338	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408885268	YUZDCCPRYZOTSL-PCLIKHOPSA-N	557.875	7.818	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2I)cc1	408888476	VUIJELVUUXZDJS-LUOAPIJWSA-N	665.096	6.854	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408892154	BMGAUGHRPUTPDD-OGLMXYFKSA-N	611.536	8.168	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc2)cc1	408921919	LLCXPLWXVMACPG-OCSSWDANSA-N	572.470	5.998	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2F)c(I)c1	408944201	ISSGOUZFEQNSKV-HHHXNRCGSA-N	828.442	5.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	408950265	RVMVZUKIYWQKJO-NDEPHWFRSA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1	408950340	SBVPMRMBPFTIPI-MUUNZHRXSA-N	854.461	5.089	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1	408961681	DHZUDXZBYBNTLU-KKMKTNMSSA-N	522.277	5.719	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	408964578	VHLQXWGHANRMJJ-UOVITMEYSA-N	609.466	6.115	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCc1ccccc1	408972722	VPWJWTAAYHVGDS-MZJWZYIUSA-N	509.356	5.555	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408973394	YULIDTPVPFFGCK-KMXPPJQQSA-N	583.310	5.216	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408978384	ZDHUJFMFTIGEHY-HAHQWYSTSA-N	648.710	6.405	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409000082	MKPYMINZQCUWBB-AABVJFSESA-N	693.219	7.492	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cc2cc(Cl)ccc2o1	409018301	KPJLKZCWGNXYFZ-BCHBDCPOSA-N	518.740	6.644	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)cc2I)cc1	409018803	VHPHHPWEBJBTSV-PPDIBHTLSA-N	574.758	5.732	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1	409026240	JPCJHPGHPCSBSR-ZTCXCAHESA-N	609.546	5.954	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409033562	FPOAILGRKUPAGR-DLCNMLRHSA-N	835.221	8.059	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409046172	IYYXZQJLPPFDME-GZTJUZNOSA-N	524.346	5.160	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(Br)cc1	409069872	YERTYTVXICLMIX-HYARGMPZSA-N	562.420	6.609	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c2cccc(Cl)c2)cc1	409115250	HXWUNWVWURFGKS-KVAAJVFYSA-N	707.430	6.698	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	409128074	DMRGXHCIBNMRBB-DXJNIWACSA-N	576.594	6.542	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409130884	WZSDACHEKFBMDF-KBVAKVRCSA-N	610.092	5.318	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C	409168499	MYRHFCSANNRQIC-XAZZYMPDSA-N	662.912	5.375	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)c2)cc1	409218794	KVZLWAGFSAMJHS-UHFFFAOYSA-N	665.338	6.764	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1Cl)c1ccc(NC(=O)c2ccco2)cc1	409219257	OVHMNJKBHHEXMW-MBTHVWNTSA-N	532.896	5.077	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	409223212	FYGGPWICXCOOCP-QASNDGBQSA-N	640.537	6.498	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409224149	KYCFMEFPPLWBGJ-LNADQZHESA-N	682.314	7.299	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)cc1	409271792	NEOSACGKHAYKEX-ODLFYWEKSA-N	613.306	6.400	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1OC	409310394	UMKSLKODZKHAKU-PPDIBHTLSA-N	538.225	6.116	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409312664	GFMVWIBZZZBZDN-PMACEKPBSA-N	636.863	6.174	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)ccc1OC	409313203	ICESFCTXSMPMJG-YNFMAFFXSA-N	564.853	6.144	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OCC	409319478	GWVGIRXMZRTFON-LJUMEUDFSA-N	597.462	5.852	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)ccc1OC	409337387	YEAXBELPDYCIKC-FDVSRXAVSA-N	500.954	5.628	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1	409371331	HETXOARPXMVRJF-JAIQZWGSSA-N	526.330	6.241	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	409373182	ODKTUQBJHIPKKZ-KCSSXMTESA-N	539.429	7.107	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1cccc(C)c1	409373769	UUPRBCOQUFQULH-KBVAKVRCSA-N	547.449	6.661	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(C)cc2)c(I)c1	409373775	VAMCNMLUBRHUNB-FJEPWZHXSA-N	676.292	6.709	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409383441	VDNBDNBIPWNKOI-RODHXAHZSA-N	688.579	7.554	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1I	409385461	KOILBGHBGJGQDQ-LSHDLFTRSA-N	633.205	5.347	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396158	DCBIAGNFIJVOAA-UHFFFAOYSA-N	640.445	8.542	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)[nH]c12	409396774	BBCBNFUKXIOCSR-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1cccc(C(=O)O)c1	409399531	JQBAUPJTTQXNIP-UHFFFAOYSA-N	593.636	6.316	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1cccc([N+](=O)[O-])c1	409399725	LAAIJJBWYVWMEF-FZKWRIDDSA-N	594.624	6.526	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1O[C@H](C)C(=O)O	409402923	LIJOXTNWJYFGFR-LJQANCHMSA-N	566.010	5.544	50	40	KKGB	
CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@H]2OC	1307302197	KASDHRXLYQOAKZ-VTYGUPJMSA-N	810.466	5.719	50	40	KKGB	
COc1cc(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1Oc1ccc([N+](=O)[O-])cn1	1531386407	HBEOSMUTBRIHDR-MJXLXAJKSA-N	660.481	6.897	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3cc(C(F)(F)F)ccc3Cl)C3=C2C(=O)CCC3)cc1OC	1058570	YKWYIJKNTLDCBS-JOCHJYFZSA-N	503.908	5.681	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)n2C2CCCCC2)cc1	2213475	JUXCTCHPUMXCAV-MZJWZYIUSA-N	502.471	6.308	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1	2696107	XJOXSUNQDIVFGP-JRKWASDDSA-N	570.675	6.056	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)COc2c(C)cccc2C)c1	3116098	HCVGVQQAXBOIKB-XODNFHPESA-N	574.269	5.885	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1c(F)cccc1Cl	6166461	YMPMIMIWGPSZTD-CWXWVLSBSA-N	583.085	5.674	50	40	KKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1cccc(OC(=O)c2ccccc2)c1	8410334	KEHZOLURVSITRD-OAQYLSRUSA-N	503.345	5.821	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	9057682	MZVQMGLJJXWGML-SANMLTNESA-N	515.038	6.047	50	40	KKGB	
Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1Cc1cccc2ccccc12	9204892	RZOONYJUNLNDOC-FDAWAROLSA-N	510.435	6.607	50	40	KKGB	
O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccc(CSc2nc3ccccc3[nH]2)cc1	50862488	GDVROKYHUFJBCD-GUBAARJWSA-N	577.713	8.230	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	59297028	ISCNTYAAOFJTDC-LDADJPATSA-N	501.302	6.593	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	59856557	DNOVVCYRJCKKQV-HWLOXFRGSA-N	599.712	7.161	50	40	KKGB	
COc1ccc(CCN[C@H](c2cc(Cl)cc(Cl)c2O)P(=O)(c2ccccc2)c2ccccc2)cc1OC	95677087	JDMMAFBZUADZTI-LJAQVGFWSA-N	556.426	6.561	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1	97951879	ZHZHUEMKKLOFBP-VWLOTQADSA-N	540.085	5.523	50	40	KKGB	
CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(OC)c(COc2ccc(CC)cc2)c1	97965830	KTKQMKHPWAAURS-HYARGMPZSA-N	532.662	6.744	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccc(Cl)cc3)s1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21	98006157	AVYRPBLPUPVCOI-MUUNZHRXSA-N	575.119	5.531	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3nc4ccccc4s3)=C(C#N)[C@H]2c2ccco2)cc1	98048609	HWEYMIOWMWOPQS-SANMLTNESA-N	555.685	6.158	50	40	KKGB	
CCCCCCCC(=O)N/N=C1/CC[C@@H]2C[C@H](OC(=O)c3ccccc3)C[C@@H]1/C2=N\NC(=O)CCCCCCC	100026461	PJTFIWCSJCSZJI-QVXSCVQJSA-N	552.760	6.697	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OCC	100045310	VULMUQOUFDPFPX-TWKHWXDSSA-N	535.666	5.119	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)c1	100124976	CWQJFGSVTHGQNG-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	100294326	OROVXQOXDRJREZ-ACXHZZMFSA-N	615.495	5.075	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1	100346229	XMLWZTFWPVITFB-RGXNXFOYSA-N	579.122	5.140	50	40	KKGB	
Cc1cc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)n(-c2ccccc2)n1	100842398	VPENQAIMVWAXQP-URHBISMZSA-N	523.593	5.385	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2ccc3ccccc3c2)cs1	100843642	SPBLRODBMKAPEN-BIZUNTBRSA-N	550.683	9.185	50	40	KKGB	
N#C/C(=C\C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1ccc(SC(F)F)cc1	102940845	OIBIFPYSVPRTDL-UFDHTVHMSA-N	538.576	5.762	50	40	KKGB	
CC(=O)Nc1c(Cl)c(Cl)c2c(c1Cl)Cc1c-2cc(Cl)c(N(CCCl)CCCl)c1Cl	104058516	PCMCNVRAJDKKFN-UHFFFAOYSA-N	535.513	7.767	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OC(=O)c1ccc(OC)cc1	150472484	LZYMZCJJJFESLF-LICLKQGHSA-N	647.809	6.025	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408553562	ZZCBFZRRJZAHMN-UUYOSTAYSA-N	578.381	6.674	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408568030	HSOYXPABXPKZDY-SXGWCWSVSA-N	508.912	5.975	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408570767	YGOZCXPJNHUJSE-VVEOGCPPSA-N	689.424	7.193	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408613244	ZWERTLBFOLFXJN-QGZVFWFLSA-N	530.408	5.086	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)ccc1OCc1ccccc1	408726823	NEEIPCBTVBZRLB-GTWSWNCMSA-N	543.645	5.004	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc(F)c3)cc2Br)c1	408746364	SCOLRBIBEPUAFH-ODLFYWEKSA-N	525.374	6.120	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(I)cc1	408746544	ZYBZQYBVWJXFLQ-SFQUDFHCSA-N	546.206	6.007	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408757219	WGISXLLRXOKHQO-FDAWAROLSA-N	520.549	5.744	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1	408759779	LLKPXNKPQKZAJT-ODLFYWEKSA-N	526.228	6.645	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2Br)cc1	408760164	SRSYGNUCXPQAMK-KBKYJPHKSA-N	621.134	6.358	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc2ccccc2c1	408764431	IPJPDRLUUYWHAG-VTNSRFBWSA-N	588.299	7.861	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408764787	YGQMWUVLJCRPHU-NVNXTCNLSA-N	641.283	6.376	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	408782456	ITMGEVLAIMESER-ZCTHSVRISA-N	528.033	5.992	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)cc1	408787917	HMLYSXCGPFHBKO-UDWIEESQSA-N	539.401	6.510	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1	408790418	REYCPRACIHXSFS-JFLMPSFJSA-N	520.438	5.046	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	408806590	AIIIYJHQVCZONL-RGVLZGJSSA-N	541.829	5.922	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1	408812181	CJCVEKQGSYEMBQ-DANHRZQXSA-N	769.986	8.054	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	408817872	XAYABDLUZOEGIB-GRSHGNNSSA-N	590.699	6.676	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	408823922	FWEUGQCLUFYDJG-DEDYPNTBSA-N	553.840	6.801	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408839820	WOCVGTNLLTWOCQ-ATZGPIRCSA-N	614.083	7.467	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc2c(c1)OCO2	408854113	XZNDECOEYDJAQV-QDTIIGTASA-N	537.366	5.666	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408857068	KRTPZTMRORJWCI-XKZIYDEJSA-N	636.446	5.924	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc2c(c1)OCO2	408858522	SRXQNIKBYLUGAQ-QDTIIGTASA-N	584.366	5.508	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccccc1F	408878953	BXLAMXGPVHDYJE-HMMYKYKNSA-N	501.355	6.866	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1Br	408880011	GODPPKPQGOWOAU-HYARGMPZSA-N	505.412	6.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408898839	XXDRXTBRAGMKBR-PXLXIMEGSA-N	547.032	6.514	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1OCc1cccc2ccccc12	408947223	AWPDYBBPUMXUIG-MWLSYYOVSA-N	550.396	6.104	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccc(Br)cc1	408948891	PYOWGODWXFLLML-MHZLTWQESA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)c(OC)c1	408957553	UZZALDNFPVAXQY-UZXICYFGSA-N	645.894	5.091	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCc2ccccc2Cl)c(OC)c1	408957877	WOKVILCEQGUQTF-SXWOMVPGSA-N	715.985	5.419	50	40	KKGB	
CCCCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408968967	DSBDJJUJUFRKQU-OBSXRXROSA-N	665.412	6.589	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)c(Cl)c1	408978825	KMJGYXBLPZXXQE-RXKJZGMASA-N	602.515	6.141	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408981865	CLTISYPLRUOSRS-NVNXTCNLSA-N	587.770	6.574	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408996104	KYDCFIVOOVMHEI-YPXUMCKCSA-N	603.094	6.576	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1OC(=O)c1cccc(C)c1	409001334	HTXCZFXXBWHHLL-FMFFXOCNSA-N	535.600	5.938	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	409004881	FXVKXKKBFALPCX-GCARXXJQSA-N	580.509	5.105	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007554	PCVSVBVSKUVOEF-QRQIAZFYSA-N	605.735	7.125	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409016465	CQYJWMTWJJNQRH-QPJQQBGISA-N	656.894	6.097	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409029649	CCUXPXQKNPWRBD-SAEPALGJSA-N	623.565	9.357	50	40	KKGB	
CCOC(=O)COc1c(I)cc(I)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409030175	CQAMINNUKYTJFX-FJEPWZHXSA-N	705.290	5.817	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409031083	GNJGUFLBYRZEKH-NKHVPTTDSA-N	731.215	8.919	50	40	KKGB	
N#CCOc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409033525	FLUVPNZBTMVDQK-FDVSRXAVSA-N	611.237	5.935	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Br	409048062	QUIVIZYRBSVYQH-OQLLNIDSSA-N	522.193	5.333	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1cccc2ccccc12	409053674	OBYGCHGLMINFDU-FJEPWZHXSA-N	584.841	6.758	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1)S(C)(=O)=O	409109613	ICUFZEXYZNJKOT-VTNSRFBWSA-N	583.541	6.439	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1Cl	409132086	OODCEBLHHGXVIG-JOCHJYFZSA-N	564.263	6.548	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1	409152495	FNRCQXIRCDHFNU-AMVVHIIESA-N	622.303	5.651	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1Cl	409170465	VTDFGXOFDAWQHM-OCSSWDANSA-N	572.887	6.339	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OCC)c3)cc2c1	409187424	QETPZAJCUSLJLR-MWLSYYOVSA-N	502.523	5.271	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409200787	JMLWYUXMOWJHTE-XKJRVUDJSA-N	558.314	7.520	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1	409211798	OGACIGSNQKCTII-XODNFHPESA-N	551.865	6.462	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	409225647	QMCKQJHUIHWXKM-LJUMEUDFSA-N	556.962	5.792	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c2)cc1	409226493	UJPJIVQQEVZZFJ-UHFFFAOYSA-N	651.311	6.456	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409227331	XYTXXKANQBEBLE-UHFFFAOYSA-N	541.991	5.892	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409238439	DDEQANRJQJEQLL-UUASQNMZSA-N	743.088	8.346	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3C)c(Br)c2)cc1	409250954	NWFGFNVRBPWNKS-UYRXBGFRSA-N	520.383	5.329	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1	409251953	APEMUEPAOUAHOR-ODLFYWEKSA-N	524.404	6.182	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409261418	BYCDQFDLAUFTHF-SRZZPIQSSA-N	552.458	6.881	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1I	409271764	MVLUFBYAMQKJQU-DHRITJCHSA-N	604.270	5.673	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(Br)c1OCc1cccc2ccccc12	409367608	BMHNCIRCAFZBTA-OCSSWDANSA-N	533.422	6.353	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCc1cccc2ccccc12	409372675	PERRNGKJJBWBPA-UCQKPKSFSA-N	657.289	8.091	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc5ccccc5c4)c(OC)c3)[nH]c2c1	409390480	DCOVSGRYTQCCNE-UUYOSTAYSA-N	540.417	7.139	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)[nH]c12	409395167	KNZPCZWAZYUVCX-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)cc1OCC	409396209	XBQBCDUBDZHLRJ-UHFFFAOYSA-N	690.978	8.040	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409397874	OYIGDCBFPLJCQO-UHFFFAOYSA-N	663.855	6.805	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409398298	SHDZFMKAEAKBPD-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccccc3C#N)o2)cc1	409400690	FBEHVQJSMWQBQU-VHFSBPNMSA-N	624.053	7.042	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1ccc(Cl)cc1	409401926	IRVPEFZIBMCBPN-PQKVGRGHSA-N	638.164	8.390	50	40	KKGB	
Cc1ccc(Cn2c(C)c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c3ccccc32)cc1	409404304	PSYUBFIIKLQTIH-DBSPGSINSA-N	570.693	7.650	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1O	2337582	AQJAGBAARZXJTA-MHWRWJLKSA-N	527.396	5.614	50	40	KKGB	
CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(C(=O)OCC)c1C	2397621	DEAKPPSIJSIPCY-VBKFSLOCSA-N	535.603	5.616	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1	2676296	ICYSMJYZXKUKBH-RPPGKUMJSA-N	522.182	5.504	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3cc(C(F)(F)F)ccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1OC	3663109	BTNMQVPOGUSRFN-HSZRJFAPSA-N	531.962	6.317	50	40	KKGB	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1	6142005	QGPCRLUSDYAPAL-DHRITJCHSA-N	534.450	5.114	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(F)c2)N1	12250456	MJQMMPQOKYWASU-VWLOTQADSA-N	502.571	5.434	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)n2C2CCCCC2)cc1	13688281	JNFVAHNNLFHFMJ-AJBULDERSA-N	509.679	6.668	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	13893322	FGCAHQXXSYQXOZ-DIBXZPPDSA-N	500.584	5.092	50	40	KKGB	
CC(=O)Nc1sc(/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)nc1-c1ccc(C)cc1	26533189	JDKLOZDMIVZVNP-CPNJWEJPSA-N	504.409	7.164	50	40	KKGB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)cc1Cl	26779579	QHTHGZXZKUIGGT-QJOMJCCJSA-N	529.044	5.682	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1cccc(I)c1	97971050	XRWRMMPOSLQHKK-AQHIEDMUSA-N	519.553	6.275	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[P@@](=Nc1ccc(F)cc1)(c1ccccc1)c1ccc(Br)cc1	97983382	LREBFQMEYYWJTM-PGUFJCEWSA-N	544.408	7.200	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)C(C(=O)Nc3ccccc3OC)=C(C)N2)c1	97986450	UQKSKSFLIRDGKA-NDEPHWFRSA-N	558.635	5.549	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@]21C(=O)Nc2ccc(F)cc21	98006289	WTBZWLTZVWKZKA-VWLOTQADSA-N	530.909	5.545	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccccc2C)cc1	100123231	HNXOQHPNZYKJJC-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100124373	FMLWGYIDBHWLPS-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1ccc(Cl)cc1Cl	100130723	HBJMBNCYLNMSIE-KBKYJPHKSA-N	525.299	6.547	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	100225339	YHFVDZUITCCJOG-UVHMKAGCSA-N	518.404	5.477	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	100239760	KFYFAKPVTBXXRJ-UZWMFBFFSA-N	590.771	5.869	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292912	OPFKOYSKKKZXGG-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C1/C(=O)N(Cc3cccc4ccccc34)c3ccccc31)CO2	100804972	KTYKDMJNNSFRCX-BUGLYGKISA-N	519.601	5.344	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1	100842842	VLXGCKUZSRIJRG-FYAMCCBRSA-N	532.021	5.582	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	101042255	VCJUKSGWIBTZDQ-SANMLTNESA-N	560.075	6.117	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1	101713623	SGNACACVIMGNHQ-KKMKTNMSSA-N	538.225	5.873	50	40	KKGB	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1c(Br)cc(C(C)(C)CC(C)(C)C)cc1Br	102436073	KGGYEUBDNDOPLJ-QOXXYIMPSA-N	590.400	8.066	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)ccc2OC)=C(C#N)[C@H]1c1ccco1	102513103	YIYXKDOPFHHGFJ-SANMLTNESA-N	593.061	5.435	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(C)cc3C)N=C3CC(C)(C)CC(O)=C32)cc1	102587536	PWJBWAXBBDQYJM-SANMLTNESA-N	515.679	6.898	50	40	KKGB	
CCN(CC)c1ccc(/C=C2\CCC(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)=C2N2CCOCC2)cc1	102942155	LMOCCTWAOMXHRJ-FNZSHCNSSA-N	550.625	6.404	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ncc(Cl)cc1Cl)[C@H]2Br	103112700	ZQBBBBJIVCDGIO-LKTVYLICSA-N	549.916	6.013	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(Cl)cc2)cc1	103901716	JRTMFPWYAKTESG-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)N/N=C/c1cc(Br)ccc1O	104822486	GYCHRARNSBELSA-UQJRAWQTSA-N	524.198	6.171	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5CC[C@]4(C)[C@@]3(O5)[C@@H](Br)[C@@H](Br)[C@@]21C	118915672	XRRHDGKBIMJRKD-SNRMSQCWSA-N	546.384	6.503	50	40	KKGB	in-vitro
FC(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341866	QHBGTVZLJJACEY-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	150485771	GAASJXKTAOFSHD-KBVAKVRCSA-N	670.542	5.128	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(I)cc2)cc1	216065598	UKONFDYCXNOIMU-JFLMPSFJSA-N	548.808	6.076	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc2ccccc2c1	408545543	ZREZTAOHQIMGGW-CFRMEGHHSA-N	561.375	6.794	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccc(F)cc1	408581272	VRXCTTIZSBRTNG-RGVLZGJSSA-N	559.375	6.489	50	40	KKGB	
O=C(NNc1cc(Br)ccc1OCc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1	408603802	HCCLCIQWAGHURB-QGZVFWFLSA-N	514.807	5.178	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Br)c3)CC2=O)cc1C	408604946	JFGDGRDTJNFRDZ-LJQANCHMSA-N	542.861	5.795	50	40	KKGB	
O=C(NNC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccc(Br)cc1	408650946	GDJPOXGZMOVAKJ-AHBQDSOZSA-N	689.393	5.415	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)ccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408674466	ZPBAJNZIQWEUBF-CJNUZUDLSA-N	654.355	5.533	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408727529	QHCBSHZXWPATJP-PPFNPFNJSA-N	616.765	5.795	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2-c2ccccc2)cc1	408740934	FEZCFONOMZFSTO-JBFMKSPFSA-N	578.716	8.381	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744885	HZKIFXIAZUZBCO-MFOYZWKCSA-N	558.759	5.798	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)ccc1I	408748006	WZJLBWWOBRFRDJ-KVSWJAHQSA-N	763.111	5.724	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccccc1F	408751115	WRCNEAGBXBPGGA-KCSSXMTESA-N	563.423	5.562	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Br)cc2Br)cc1	408760888	ARNVSMJCTZRUOM-MHWRWJLKSA-N	655.162	6.596	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1	408790339	PBPQFWZTVHDNPV-LPYMAVHISA-N	548.979	5.738	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccccc1Cl	408797436	RVNZXJJUXVETQV-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)cc(I)c1O	408804441	FZXKBSMBDDKLJR-NYYWCZLTSA-N	564.548	5.109	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408811217	KVMTYMVNVZCCEH-QNGOZBTKSA-N	546.523	8.658	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1	408812191	CMTQVMDULRGTFZ-XKZIYDEJSA-N	521.411	5.659	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408821677	AAVKYDSQPIDQKB-HZHRSRAPSA-N	574.420	7.605	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408822062	BBXMQBVHBWDOCQ-MFKUBSTISA-N	675.479	7.220	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408824113	HAOOQYQLAFHOAU-QNGOZBTKSA-N	614.938	7.485	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	408838146	RUWSJEZXAPQGLO-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408839325	QQSKHWZHOUBZTK-OAQMXIGCSA-N	723.059	9.710	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC	408839768	ADNMGJUGLCVXSD-KVSWJAHQSA-N	569.403	5.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(Br)cc1OCc1ccc(Cl)cc1	408850011	CSFMVMYLKSMSIK-YDZHTSKRSA-N	561.863	7.779	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408853746	XPDPWDUXZVIVQR-AUEPDCJTSA-N	500.201	6.029	50	40	KKGB	
CCOc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1	408856532	QHQTTWMPUZUNNB-APTWKGOFSA-N	569.731	7.149	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408869400	CXAYHLRAUBKOGH-HUEHPZEESA-N	626.960	6.138	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1Cc1cccc(F)c1	408878180	XMRRJDKLGONOPB-VXLYETTFSA-N	527.821	7.085	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408880258	GZAVMEPYXLYLGK-KCSSXMTESA-N	592.649	6.687	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OS(=O)(=O)c1ccccc1	408894536	IMSMUJQZBBQLBF-WOJGMQOQSA-N	586.420	5.378	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408897519	XNJNHOCPZBIMPY-WOJGMQOQSA-N	656.420	6.331	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408904195	GGUGXKLJPFXTHI-FXMZOFOKSA-N	616.137	7.570	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)cc1	408921523	AIOGJLRWZNIQOF-LGJNPRDNSA-N	532.232	5.872	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(OC)c1	408925510	UJJCOLHHQUSEMM-MOEPSENCSA-N	641.508	5.301	50	40	KKGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	408943423	SNCBQKGZLVZXDB-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1	408944432	MLCOVMSLKDMYBZ-QDTIIGTASA-N	585.252	6.048	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408945997	OOSSAPKQFHDFGP-NUJZUDFISA-N	554.372	5.515	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1	408946395	MTTIXPCJZIQTEI-NDEPHWFRSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)c(OC)c1	408950199	GOFJPTLUFKITOA-IRWRTZFPSA-N	730.956	5.318	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	408970041	ZEGFLFFLKGKXFD-FIUPRHMKSA-N	620.533	6.226	50	40	KKGB	
CCCCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC	408970945	BHMDDRGHTIVDHU-ZMRKYAEKSA-N	562.505	5.005	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC(C)C	408974062	WQRCUDLLXDYUBZ-AVBXTRTDSA-N	679.439	6.835	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccccc2)cc1	408978346	IIQYJGVZFCQGQU-HIQWWTPOSA-N	527.646	5.134	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC	408996320	HNDLIUXUZXFVQD-QNVXDBMFSA-N	701.357	7.017	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408999941	UQTBZYFLVJXBCD-PNOYGBBQSA-N	712.382	6.653	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)ccc1OCc1cccc(C)c1	409010137	AERPRKNRVKONNI-NSEXZMKTSA-N	545.680	5.259	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc2c(c1)OCO2	409011061	DLUXFSLKHCUSTD-CIHQJKDQSA-N	630.097	5.303	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409011684	ICTZVMQXPRHIDY-IZYHBKOJSA-N	606.550	7.251	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(OC)c1	409012059	HJLSRNAQFUSSCA-HHISXAMOSA-N	551.515	5.297	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)cc2I)c1	409021933	GCHDAXZSJMVXIN-WKIKZPBSSA-N	544.776	6.342	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409023787	PTNJLZAYZIIXCP-QDTIIGTASA-N	619.799	6.341	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1C	409025572	SQNIYJIDAOVMDK-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1	409028002	XRLYVEHBDVNOFN-UZWMFBFFSA-N	562.091	5.827	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1cccc(C)c1	409044508	VOENDIBGNFRCMN-CIAFOILYSA-N	595.437	5.788	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1cccc(C)c1	409056387	LWPIIHKYZXYNOO-FYJGNVAPSA-N	595.437	5.870	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409072146	LVSWVNHZCKKYLS-OEAKJJBVSA-N	527.533	5.545	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1	409109570	HIOYDNFWCNBESU-QXUDOOCXSA-N	638.142	5.681	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O	409126201	NHWMNAWKSUAWLF-RUZDIDTESA-N	526.464	5.955	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409149786	QUVGTIGZONWVTC-MZJWZYIUSA-N	593.805	5.523	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1	409160016	PBNUXQACMZKHNX-WCMJOSRZSA-N	676.895	5.014	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Br)cc1	409173670	OFOGYTXFQPCPDX-IPBVOBEMSA-N	591.256	5.090	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccccc5C#N)cc4)c3C)cc2c1	409186901	JGNASZBLMMNDFL-FZKWRIDDSA-N	532.600	6.454	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(Br)c(OCc4cccc5ccccc45)c(OC)c3)cc2c1	409188202	BRSWOUNUYBOWGE-VTNSRFBWSA-N	573.443	7.099	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccccc2Cl)c1	409223048	GBOCWMJJZCYPJU-UHFFFAOYSA-N	699.739	6.829	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c2)cc1	409224941	ODJSHNLGNQLHOM-UHFFFAOYSA-N	679.321	6.484	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	409226840	XHCNCHNCJLTJBS-WSBAZYMWSA-N	666.519	5.052	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1	409236556	SUHKTKFCKGMOAZ-HBEGMLAUSA-N	548.437	5.650	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409251989	RCPFNOYCPJSLJC-YBFXNURJSA-N	550.409	5.343	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)c1C	409252893	UJWAFCQEFXALNM-YBFXNURJSA-N	527.930	6.539	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccccc1Cl	409253579	XEDPLBSOWCZMHG-IFBDVWKUSA-N	526.420	5.474	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(Br)c2)cc1	409257333	QCQXKYOKSKUMEO-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409257392	OJCQLIRYAZWCSV-VHFSBPNMSA-N	731.616	7.565	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2C)cc1	409260033	JOTMRRQDXAGDDA-MOSHPQCFSA-N	548.393	5.107	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409264193	NQTMNKOFGNNZPS-IUXPMGMMSA-N	599.825	5.891	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)ccc4OCC(=O)Nc4ccccc4Cl)cc3)cs2)cc1	409264245	PZDWZRFAJDBWQQ-QMRORBIVSA-N	675.008	8.059	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC	409331485	DIJGTUYMJDJJGK-DICXZTSXSA-N	540.370	5.274	50	40	KKGB	
COc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409370478	ROKVIYDSJTVDDM-APTWKGOFSA-N	577.666	6.344	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1ccc(I)cc1	409373857	VHUPAVKATIXQSD-HNSNBQBZSA-N	620.487	6.923	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409383000	QHCAGKAKKCXAFB-UDWIEESQSA-N	552.400	5.228	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(OC)c1	409384063	YZMODBHMVLALFB-RPPGKUMJSA-N	593.228	5.480	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409387215	UWBPTCCLNPXYAV-XODNFHPESA-N	597.447	5.670	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(Cl)cc1	409387495	WVJQYXIDJNAAHI-KKMKTNMSSA-N	530.389	6.468	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)[nH]c2c1	409391404	JDZYHLJJVWRWNA-PXNMLYILSA-N	557.217	6.879	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCC(=O)Nc4ccccc4)c(I)c3)o2)cc1	409401074	GHTHVWZPYQZYRN-VHFSBPNMSA-N	814.418	7.257	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccccc3Cl)o2)cc1	409408704	KVQOCUUZGUXLQR-HQDYHJHZSA-N	613.026	6.811	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3ccccc3)o2)cc1	409410637	ZAHIPIJTWJUGPY-AJYMHJERSA-N	594.067	7.302	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	1529547111	ITKIBRUVRQUXCU-PDQWDMBESA-N	692.021	6.119	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2cccc(Cl)c2)c(OCC)c1	1529549251	WVROJBNGHZIAKN-BVIORAGMSA-N	763.054	5.807	50	40	KKGB	
CCOC(=O)c1ccccc1C(=O)N(NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1	1921339	OGRIHZLPSYLVPC-UHFFFAOYSA-N	563.437	5.784	50	40	KKGB	
COc1cc(/C=C(\C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(C)cc1	4196411	NCHUCDUFVVTMEX-KEBDBYFISA-N	513.229	7.172	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1	6177845	CEUJZCSUDRULNX-HQUMBPMSSA-N	508.647	5.632	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@H]1c1ccccc1	8443094	HLAKJVSGXQXCBG-XMMPIXPASA-N	500.624	5.029	50	40	KKGB	
CCCCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	33355303	UVONIVQZBVBQJC-GDLZYMKVSA-N	572.756	6.942	50	40	KKGB	
Cc1ccccc1NC(=O)[C@H]1[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N[C@@]1(C)O	59832357	CPEBAGRSKQNSTI-OASJLCFRSA-N	597.560	5.576	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	59882640	UGMQJOVFSMCZEH-KCSSXMTESA-N	582.509	6.303	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)cc1	97940086	CPUDPHYKUQMCDR-NDEPHWFRSA-N	566.683	5.875	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	97954460	RWJQHTRGNINJPK-WJOKGBTCSA-N	544.680	6.855	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	97961026	ABRJUNDFEVTMSU-KVSWJAHQSA-N	620.139	6.506	50	40	KKGB	
Cn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1ccc(Br)cc1	97971014	GDSODHOOCIXVSI-CCVNUDIWSA-N	615.351	5.829	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1c2ccccc2cc2ccccc12	100412231	MJZMLELIYWUYCB-HNSNBQBZSA-N	569.614	5.249	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100952557	ASJGDYYXGBLEPA-YBEGLDIGSA-N	600.325	5.844	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1	100952602	NLMMLTIYBDYIRY-VCHYOVAHSA-N	540.345	6.020	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	102806875	DDDLPZMOAUORSS-JGCGQSQUSA-N	591.136	7.773	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc2ccccc2c1	103884734	TWQLFWDTAHUATJ-SJIPCVTESA-N	557.694	6.802	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Br)cc1	103890389	DBPYTOOAFORMLL-YVLHZVERSA-N	580.693	7.933	50	40	KKGB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1	150339214	HFVNWDWLWUCIHC-NPWIZPEASA-N	646.652	5.415	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2ccccc2Cl)s1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	150438324	GTUIJKXGKYSFSD-DBTLDAOKSA-N	625.990	7.759	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)c(OC)c1	150487041	QKCAPZHAQJAWFN-UHIZKJEFSA-N	679.966	5.737	50	40	KKGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(NC(=O)Nc3ccc(Cl)cc3)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3)[C@H]2C1	229987411	NYZNEOZCCYZRFQ-YZXAJQSBSA-N	544.486	7.722	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	408538652	BCSMQSGSNGAXJF-LMOHNTGSSA-N	695.610	8.357	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408539729	YIMJRQXEUDZPDM-IMRQLAEWSA-N	583.084	7.841	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc3ccccc23)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550280	CICQMQJBKXAVPK-CNCDYAKUSA-N	662.311	6.931	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1	408555333	XARBBEMGPJRRJD-LICLKQGHSA-N	514.796	6.518	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1	408598570	DRIKZBQPXVYFIK-BRJLIKDPSA-N	563.202	5.471	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408663009	YASVIXVOIAMPOA-PZDNHCALSA-N	677.604	6.053	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1ccc(N2CCCC2)cc1	408678410	YRTIIIKRULFMNN-WKULSOCRSA-N	575.276	6.294	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Br	408737569	DMSPDZGPUODDOG-KKMKTNMSSA-N	503.183	5.970	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408740905	DXTPJUGAHJYZOM-BKATUZMVSA-N	799.450	9.363	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408744635	GHFLGSXFIJRHOY-PDGQHHTCSA-N	508.328	5.491	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)ccc1I	408747888	VGXLPHSWVRRTRK-WKULSOCRSA-N	615.265	6.558	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc12	408749081	LAIZBOKNYBSYMK-RWPZCVJISA-N	581.366	5.704	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408758896	UFWYNQANFHIZFO-PXNMLYILSA-N	716.993	7.703	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)c1	408759445	FDKNERXDRJHUTQ-LYBHJNIJSA-N	512.565	7.157	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1I	408764032	RFMIHXWUTWHHBJ-ATVHPVEESA-N	528.733	5.709	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(Br)cc3)cc2Br)cc1	408790075	NCUNTUQLKZYZQA-FYJGNVAPSA-N	628.317	6.912	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408792864	LVTSXMXNGQWXGZ-LZYBPNLTSA-N	638.643	6.740	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1	408793666	GBGBUXMLNSIGDZ-FYJGNVAPSA-N	612.420	5.911	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccc(Br)cc1	408794431	SFXQTMZNQOISPK-UDWIEESQSA-N	614.290	6.522	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408795271	UYEXQKWZFAZJQE-VXLYETTFSA-N	560.275	7.506	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408798801	WZSUDWMLONPQDC-VCHYOVAHSA-N	512.349	6.425	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408798936	XLBBCDJTDUZPGV-ZVHZXABRSA-N	527.418	7.044	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408811959	NFOOKBYDFMZQPG-HAHDFKILSA-N	500.526	5.776	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4cccc5ccccc45)cc3)cc2)cc1	408825458	IKABDPOZMHSNEE-MWAVMZGNSA-N	524.620	7.852	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408828141	LQCQWGMSCGYJCP-MFKUBSTISA-N	584.028	7.269	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2cccc(Cl)c2C)cc1	408828203	LMRFRQKFUACDRQ-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC	408828744	VYGOCFDKVVJRAC-KGENOOAVSA-N	523.416	7.082	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408831056	PJSKVJNLNKNTNH-IPPBACCNSA-N	608.942	5.223	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1	408831219	QIFREBXDKJQUKI-PXLXIMEGSA-N	503.396	6.447	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)cc1Cl	408841724	KDLYNPOCCFOOHA-FJEPWZHXSA-N	592.888	6.261	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Br	408845296	VSZJQZZMEQSZAB-KBKYJPHKSA-N	527.366	5.760	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3cccc(Br)c3)o2)cc1	408852449	FZMUGVOUTOXRPO-DXJNIWACSA-N	524.418	7.239	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408871312	YIYRCQGROJSARW-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1OCc1cccc2ccccc12	408874783	ARZYBTPIUBRCGK-LQNQUEJISA-N	564.423	6.494	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Br)cc1	408880310	JGKJCKJYLAWOQH-WOJGMQOQSA-N	545.842	6.033	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N\NC(=O)c5cc(Br)ccc5O)(c5ccccc54)[C@@H]3C2=O)cc1	408883423	RCDJPOWYVAREQS-YVYDTRPDSA-N	606.476	5.430	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OCc1ccccc1	408886683	LGMPWEYFGOPJAO-VCHYOVAHSA-N	544.776	6.078	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(OCC)c1OCc1ccccc1C#N	408886862	JITZVKDWXWJCJH-RQRWGXNHSA-N	619.669	7.176	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	408887331	NQQDQUUNBZBVSC-WYMPLXKRSA-N	529.303	5.139	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1	408890779	YZYNHXAJOYOMOK-CPNJWEJPSA-N	554.238	6.593	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1Br	408899896	RPCDYOSOLZARBC-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408901044	ZMLXSGMYCAOCEW-MHWRWJLKSA-N	562.387	5.614	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(OCC)c1	408944692	JJVJCLAPKYFWGK-LJAQVGFWSA-N	725.618	5.010	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1	408961159	AXYVCTRTOBFBLP-KVSWJAHQSA-N	556.176	6.573	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc(C(F)(F)F)c1	408962037	FWSUKLKVWRRDBR-WXMAUWIXSA-N	580.615	7.771	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc2ccccc2c1	408962314	HCQIZDYAUXDUPR-VWJSQJICSA-N	557.366	6.973	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc2ccccc12	408964863	SWEJOQVXJRCITN-MHDJOFBISA-N	571.393	7.363	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2Br)cc1	408968769	YWRXPQGQWDTQAK-VFLNYLIXSA-N	534.332	5.558	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2OCC)cc1	408969680	RVKIWBPOPWNRGM-QLYXXIJNSA-N	530.621	7.475	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2c(Cl)cc(/C=N/NC(=O)c3ccncc3)cc2OC)cc1	408972447	UAXLZYNOHNHQJV-AJBULDERSA-N	526.033	5.924	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409035098	PDIBNBBGRGWMNV-AABVJFSESA-N	652.401	8.966	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409037839	UGPKVRRPCJNZAJ-KCSSXMTESA-N	539.060	7.550	50	40	KKGB	
C#CCOc1c(I)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409043262	DNTKNIUYKWRTAO-MUFRIFMGSA-N	610.249	6.045	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409048477	OUYREAIGNDPZKV-KCSSXMTESA-N	539.060	7.550	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(F)cc1	409054472	GJVBXQRGWHFLOD-UDWIEESQSA-N	580.251	7.629	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409069816	ALFVDLFERSTJSP-GZTJUZNOSA-N	608.841	5.575	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1	409074992	WFRLLYPHBGMUNS-RVDMUPIBSA-N	514.788	5.811	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409110094	RDZOXLYAIITLCT-VTNSRFBWSA-N	567.086	5.849	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1	409127055	OWWFEALMIYVIET-MWBNBJEGSA-N	677.006	6.979	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)cc(I)c1OCC	409153734	DWBVTTQXTSFNEN-AFUMVMLFSA-N	602.267	5.110	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1	409170076	SLSLNJFHGQPFJA-QFDQHJFZSA-N	587.769	5.772	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409182557	MKQYNDOVBPYSRP-XAZZYMPDSA-N	621.156	7.943	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c2ccc(C)cc2)cc1	409184225	FVSOWYQQPRBYNS-IZYHBKOJSA-N	735.484	7.396	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)cc2c1	409186615	FOBNNXQHXKKQGD-MNDYBZJGSA-N	514.969	5.842	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2I)cc1	409229022	INGUKCIEZNGIFA-UCQKPKSFSA-N	662.309	6.439	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409234887	AEHAXJJKPNMESQ-SPMKTWQFSA-N	518.013	5.849	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409257394	QPLCUVKOZVMVFA-FDVSRXAVSA-N	554.441	5.255	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl)Nc1ccccc1	409257447	OUPYOIVFNAIWKZ-KVAAJVFYSA-N	616.530	7.642	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	409262575	IXUQZXDGGSHXML-VCHYOVAHSA-N	617.725	7.045	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)c(OCC(=O)Nc5cccc(C)c5C)c(Br)c4)cc3)cs2)cc1	409272378	YKRZVHWJPRGWNA-ADJDCTSUSA-N	747.513	8.785	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1OCC	409309813	MTLZRTJWEMBKHW-UHBFCERESA-N	559.432	6.127	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OCC	409319340	DSWWOQMPUPWXSH-UHBFCERESA-N	586.870	5.847	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1	409336969	RPNOTYWSBOEEOG-UCMJSZAQSA-N	510.682	7.116	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371828	PRVMJOXGWBEMQB-ZDLGFXPLSA-N	608.173	6.447	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409389790	AILFRNSATWETBY-JAIQZWGSSA-N	520.416	7.259	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccco1	409394483	AYKVBMFEGRYATE-UHFFFAOYSA-N	607.258	6.936	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccccc1	409396592	ZFINWFPLSQFUEK-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)c(-c3ccccc3)c2c1	409397620	LYTXKTKPKQAVNP-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409398453	TVZVIBBIRJBJPP-UHFFFAOYSA-N	612.038	6.414	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4cccc5ccccc45)c3C)o2)cc1	409407834	IJJOSEKIXRKVKL-IDWIKUEFSA-N	556.666	7.591	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(I)o3)o2)cc1	409410431	XCSAURQAIKRSSF-ZRGSRPPYSA-N	608.230	5.990	50	40	KKGB	
CCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCC[Si](OCC)(OCC)OCC)(OCC)OCC	627276269	VLEYQASWGGTJGU-UHFFFAOYSA-N	770.794	7.708	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1	1529548774	NRPSSPVOQRUGRD-KZMIEDSXSA-N	682.155	5.111	50	40	KKGB	
C=C(C)[C@H](CC[C@](C)(O[C@@H]1O[C@@H](COC(C)=O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)OO	1534690826	JZASRXZWIPRQHB-BGEZGSQJSA-N	680.876	5.263	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3Cl)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1	673570	OLBYAZHIHOFXNR-JMQGSBJISA-N	557.006	5.964	50	40	KKGB	
N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)s1	713521	KULIZWRVNWVRMA-SFHVURJKSA-N	528.781	6.488	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	1769493	GLMWZYZZXBKDQJ-XMHGGMMESA-N	533.005	7.059	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1cccc(Oc2ccccc2)c1	1817826	SOMYGTYPDBWGQV-STBIYBPSSA-N	542.711	7.018	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Br)c2)c(Br)c1	3088112	NMMXLVDKIJIIPQ-RPPGKUMJSA-N	591.212	5.177	50	40	KKGB	
N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cccc3ccccc23)cs1	6060168	YVPMOEGVSGHODX-OBGWFSINSA-N	515.645	6.197	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	8426392	VPRSOPJUGOXLRT-KIBWQBKSSA-N	654.413	9.280	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1	8427135	HNDGBTCVHOQLMI-MWAVMZGNSA-N	518.038	5.743	50	40	KKGB	
COc1ccc(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)cc1	13174087	CZFDMOJTGRSWDA-HNSNBQBZSA-N	522.004	6.760	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2)cc1)S(=O)(=O)c1ccccc1	19926575	LHBHTLFGIMXNQJ-NDZAJKAJSA-N	518.038	5.808	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccc(F)cc1	30702441	IPWITUTXJUEDET-WKIKZPBSSA-N	500.386	5.623	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl	59117516	LXZWKWMIFZTISF-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1	59473701	HHCMNYSYPIKABQ-PYWPZVNCSA-N	503.451	6.602	50	40	KKGB	
COc1ccc(CCN[C@@H](c2cc(Cl)cc(Cl)c2O)P(=O)(c2ccccc2)c2ccccc2)cc1OC	95677086	JDMMAFBZUADZTI-GDLZYMKVSA-N	556.426	6.561	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3c(C)nn(-c4ccccc4)c3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1	97959523	SQFUSWYJOWQKSN-GXBUFBABSA-N	577.758	6.585	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C\c1ccc(Cl)cc1	97966321	WWYYXHDZZVUDDP-OQVGDTCNSA-N	645.975	7.237	50	40	KKGB	
Cc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(Sc3ccccc3)o2)cc1	101412785	MPGGCXSWGQOCHW-UHFFFAOYSA-N	528.637	7.421	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](Cl)CCl	103527182	NAAKRVOOMGQGNL-UWTATZPHSA-N	517.006	6.842	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	103888535	NAAFEFCSDWJBIB-UCQKPKSFSA-N	531.406	6.309	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	103897101	XLPKYEJBXAIQBU-KXYWZDDBSA-N	566.639	5.712	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)c1C	104075398	LVZVCENKCHFXJB-WJOKGBTCSA-N	549.696	7.524	50	40	KKGB	
Cc1ccc(OCCOCCOc2ccc(/C=C(\C#N)c3nnc(NC(=O)c4ccccc4)s3)cc2)cc1C	104857369	QYCCISYLDYELSZ-NCELDCMTSA-N	540.645	5.946	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342096	ZQLVBUIVNXEHBG-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
Cc1cccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1	150638227	VLBBECCBJFAWIY-BRJLIKDPSA-N	641.203	5.455	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)ccc1I	223594312	MBOFEESJKBZPJK-PZLUAEMBSA-N	533.454	5.873	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)ccc1OCc1ccccc1	408536733	ATJGUJZCHZTVMV-WBIBEUCMSA-N	656.602	8.202	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408537052	CABVBOWAAPFAAE-QQXSKIMKSA-N	643.534	7.569	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	408540195	OLEMROVVFYMFME-LMOHNTGSSA-N	651.159	8.248	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c(C#N)c1C	408546709	NJEVMHDYUYIXGI-UDWIEESQSA-N	538.585	5.735	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551519	DKFXQYCQMZRIEW-HCNMGLPWSA-N	603.915	6.869	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408569306	NATIWXFLOXGBCJ-STBIYBPSSA-N	507.725	6.399	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(Br)cc1	408599001	NKSWGWKCIISYAZ-OKCVXOCRSA-N	588.340	7.251	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1c2ccccc2Sc2ccccc21	408603179	DUFUUSUQAHAUKE-OQKWZONESA-N	544.636	7.234	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408649103	XLBILLSECYNSDT-YRXWBPOGSA-N	661.572	5.265	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408726958	WZTFFWBDUJCGDK-MTJSOVHGSA-N	597.409	6.340	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(Br)c(N(C)C)c(Br)c1	408736553	CLIKBHSRZWNSGG-WUQZZNSYSA-N	614.382	5.701	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(O)c(I)c1)c1ccc(Br)cc1	408738465	XVWJQCAOBVYPHM-WZUFQYTHSA-N	504.947	5.586	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Br)c2)cc1	408742508	ANSOINUMAKWCED-NDENLUEZSA-N	525.830	6.934	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c1	408744846	HSWJDWOKTMLBJZ-NVMNQCDNSA-N	576.274	7.288	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc(F)c3)cc2Br)cc1	408745285	LDUVERQVLBDOPU-WQRHYEAKSA-N	511.347	5.730	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2I)cc1	408747635	QRSACDQUXJIEOJ-KYHGBAKBSA-N	685.312	5.717	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408759016	WLZJARNGYSNVPX-MUFRIFMGSA-N	503.396	6.262	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2)c(I)c1	408777687	GBVXGXGKXGALJX-PXNMLYILSA-N	525.184	5.064	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Br)cc1	408790773	YMDHCHKOWPTJNH-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1	408791395	XAGCOAGLQZKUEG-NLRVBDNBSA-N	539.031	7.442	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(I)cc1	408798569	VYDUAXQDFUFJKX-UDWIEESQSA-N	572.830	6.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc2ccccc2c1	408799127	XXBRSUZHXXCUMD-MFKUBSTISA-N	541.445	7.434	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1cccc(C)c1	408822416	BNSWAGJNBFTHTL-ZMOGYAJESA-N	699.372	8.619	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408837703	LSEIGDUFONSAPE-WSBIKYRQSA-N	810.782	6.628	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccccc1Cl	408840131	XWSFLAPFSBHUSA-MWBNBJEGSA-N	617.558	8.602	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1F	408840315	AMJQKEDBFAAVKK-IZYHBKOJSA-N	615.130	8.396	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408842280	JWBFLGYZDDPRDD-PTEHHBOZSA-N	790.715	9.078	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408848528	ZLSMGKLLZGEQFG-CPDSRJINSA-N	574.391	6.462	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC#N	408855596	GUUBFFUXHGSPNC-HWIUFGAZSA-N	504.590	5.856	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(I)c2)cc1	408857461	OJVZHWRBOFSYDI-IDWIKUEFSA-N	636.493	7.272	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(=O)(=O)c1ccccc1	408863085	PAQYMGHBXCLGQA-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1cccs1	408863970	RJOXNRJUVDJTRX-JFLMPSFJSA-N	529.993	5.464	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(OCc2cccc(F)c2)cc1	408868475	OYRVMOCBLZKRSD-XKJRVUDJSA-N	561.422	5.916	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408869657	QFSBJVGFSZSNJS-FYJGNVAPSA-N	505.958	6.334	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cccc(Cl)c1Cl	408870983	WMVZDTKKUFKKQT-HCGXMYGOSA-N	506.198	5.505	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1Cc1cccc(F)c1	408875567	KDDXPDANEKAISU-KEBDBYFISA-N	540.376	6.192	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1Cc1cccc(F)c1	408877907	XWNKGUJNYAOQRS-DJKKODMXSA-N	574.821	6.927	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)ccc1OCc1ccccc1	408878243	YTIWBUBXVPDOSY-QXUDOOCXSA-N	666.594	6.089	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(I)c1	408882032	MWFZCDODJFHXTQ-LICLKQGHSA-N	593.646	6.832	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408882790	QWUXWQOKTOEMQQ-AFUMVMLFSA-N	537.819	5.033	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	408890157	OUCDEQMYETYIGS-CPNJWEJPSA-N	526.998	5.369	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Br)cc1	408891108	LNTNIPQOBJWAIS-JJIBRWJFSA-N	603.494	6.650	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1ccc(Cl)c(Cl)c1	408892039	XQASPUMHBQYQCV-BHGWPJFGSA-N	512.178	5.769	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408904877	PWQQLBJJXCISJB-DBFSUHOCSA-N	622.289	6.231	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2Br)cc1	408921314	AIGZVKCOHVQATL-LQKURTRISA-N	566.433	5.092	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(OCC)c1	408954452	ZILDPQDJCQCMSA-UMSFTDKQSA-N	652.773	5.703	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408962049	GAJDLVBZEGRIRI-VFLNYLIXSA-N	521.879	6.009	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c(F)c1	408968533	WUNKPPPUVLXTAV-IPBVOBEMSA-N	549.169	5.704	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408969362	MPHUPVGCIZEHPJ-TYXQBPODSA-N	593.305	5.410	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)ccc21	408970136	BHCYRAVLWFUDPK-UOVITMEYSA-N	567.517	6.570	50	40	KKGB	
CNc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I	408981769	BQQHHKYPQYGTCG-XGICHPGQSA-N	577.591	5.445	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccccc1	408983378	LRAKLFXNMNELFN-UDWIEESQSA-N	572.830	6.776	50	40	KKGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408991419	OBGRXFQCAURZQH-KBKYJPHKSA-N	717.279	5.324	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1	408993853	XHVTXWNPNKJTAN-CPNJWEJPSA-N	652.113	7.664	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	408995167	AIMLMGAMLHFWAA-HUMNLGMNSA-N	647.323	6.847	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)cc1	408998508	UYKPOCGHTVIFJO-WQRHYEAKSA-N	639.171	8.214	50	40	KKGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(OC)c2)cc1	409013814	VXJAJMLYDXCXRX-QJOVZPHJSA-N	613.780	6.432	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cc2cc(Br)cc(I)c2o1	409016292	QUOZKHNNHISPQX-KKMKTNMSSA-N	609.645	6.796	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409020339	OEELSEZHDZQEKB-IPBVOBEMSA-N	776.119	6.664	50	40	KKGB	
N#CCOc1c(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-]	409038263	OXRXVHWZJPUBBK-RWPZCVJISA-N	530.338	5.239	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	409039913	XOXJVPDROTXWSX-SFQUDFHCSA-N	630.053	5.312	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@@H]23)c1	409042961	LXAGOJIVXUUDSP-RGMZLYFRSA-N	607.022	5.223	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409127385	CMQHZCLRJSBGGQ-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccccc2)cc1OC	409129712	LUUDQKKGWLRGCU-UZWMFBFFSA-N	553.640	5.356	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c2ccccc2)cc1OC	409147797	WEWKJBSCNQGDAB-HNSNBQBZSA-N	624.115	5.290	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409181026	YQNSXFWOEGYQNV-FJEPWZHXSA-N	586.711	7.290	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccccc3)c2)cc1	409220268	VTCKGJXTKRWTJO-HXTZUGNKSA-N	582.454	6.393	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409226204	PSEJBCIQOOTJRA-CIAFOILYSA-N	534.410	5.007	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1	409226664	QQJLAGBCFPPXDD-AOUCTADOSA-N	602.872	6.738	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c2)c1	409227172	SXJWFDTWTDFMDP-UHFFFAOYSA-N	720.201	7.762	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1	409249982	KPZFJZKOUAVAKW-KIBLKLHPSA-N	520.398	5.130	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409267439	VPHKAEPYBASMFD-ZDLGFXPLSA-N	603.300	7.026	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OC	409319450	GHRRTGUOKVRFMO-FDVSRXAVSA-N	608.860	6.094	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OC	409325659	ZIDXHFMNXJVLPS-LJUMEUDFSA-N	552.027	5.402	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)cc1OCC	409334856	NKBIOZQJKYPNDQ-LJUMEUDFSA-N	618.443	6.135	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)ccc1OCc1ccccc1	409365667	VQCFGNOPULVPDN-HQDYHJHZSA-N	576.024	6.238	50	40	KKGB	
COc1cc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1	409372710	ZZKRIBSORDRLRO-VHFSBPNMSA-N	654.616	6.847	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397454	KBMONMBXDDWNEJ-UHFFFAOYSA-N	688.531	6.624	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397463	KDIJUKNTQHLDTE-UHFFFAOYSA-N	566.057	7.405	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409398886	WEPKSVZHSHTNPO-UHFFFAOYSA-N	629.410	6.151	50	40	KKGB	
COC(=O)COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409400629	DUXFAFKWPWRBBX-MNDYBZJGSA-N	580.435	5.344	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3ccccc3C#N)o2)cc1	409402298	JRQJYNZRWBZGNB-DBSPGSINSA-N	587.680	6.547	50	40	KKGB	
CC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409405090	SBWFAWFHSRXSFC-KRTSHMNHSA-N	530.581	6.116	50	40	KKGB	
CCOc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409407390	ZONGZAWXTMGBRF-LJUMEUDFSA-N	580.479	6.590	50	40	KKGB	
S=C(Nc1nnc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)s1)Nc1ccc(Cl)cc1Cl	575628228	KBDJPLYFZFRYTB-JGNHQEBTSA-N	601.448	6.782	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	1769435	CAQJZFQDUXGRQX-XSFVSMFZSA-N	527.558	6.614	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1	2071899	FPVXYCMSAIPCNC-UXHLAJHPSA-N	529.390	5.864	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	2177655	MSNVKCQLLQHFMW-ZCTHSVRISA-N	592.515	5.369	50	40	KKGB	
Cc1c(Cl)cccc1N/C(SCCOc1ccc(Br)cc1)=C(/C#N)c1nc2ccccc2s1	2639088	PTCICQMQPLIUCB-LYBHJNIJSA-N	556.938	8.137	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1C	3294962	OGGYNMWIRSJFPO-UHFFFAOYSA-N	583.997	5.632	50	40	KKGB	
O=C(CN(C(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)OC12CC3CC(CC(C3)C1)C2)Oc1ccc([N+](=O)[O-])cc1	6002892	GQJJUERUDMZYFN-UHFFFAOYSA-N	552.624	6.013	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	6445726	FEUWOSJCNTXMPH-FPVDIDMMSA-N	561.041	5.189	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc([N+](=O)[O-])c1OCc1ccccc1	6906532	CXGUDLUPRSSVBM-AGIUSIANSA-N	621.650	5.652	50	40	KKGB	
C/C(=N\NC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1)c1ccc(Cl)cc1	8694817	VWLGWRZUBDOXBI-VWJSQJICSA-N	539.970	6.975	50	40	KKGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccccc2Cl)cc1	12251106	SGIBXMJYDAMCKV-HSZRJFAPSA-N	506.002	6.278	50	40	KKGB	
O=C(CSc1cccc2ccccc12)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	16545073	MPRPLMPRIGIYCH-IBBHUPRXSA-N	518.469	7.392	50	40	KKGB	
N#CC1=C(SCC(N)=O)NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H]1c1ccccc1Cl	18024793	VGFHRCYKIAITJE-QHCPKHFHSA-N	515.063	6.159	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2ccccc2Cl)cc1	20059135	MQLXRDOSSAERKG-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1C	28217252	AUDDEBAZHWHRNR-GOJREDGKSA-N	532.732	6.930	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1OCC	59883409	RSGISNUKCFSGOC-RDRPBHBLSA-N	542.057	5.034	50	40	KKGB	
O=C(CSc1nc2cccnc2s1)NNS(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])c(Cl)c2)c(Cl)c1	95671292	MRTJVFRBNHIBNP-UHFFFAOYSA-N	620.905	5.454	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccccc1C#N	97961019	DCEXINBDNPMJGD-HNSNBQBZSA-N	617.443	5.137	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2nccs2)N1	98048723	DQMPALDYHTXQDB-HSZRJFAPSA-N	537.066	5.608	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	100056362	HTQUZXGJBDOKMN-LGJNPRDNSA-N	564.221	5.195	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCc1cccc2ccccc12	100062338	NZTLBAWAAUZTHO-OCSSWDANSA-N	564.423	6.494	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl	100127973	LJAVDPNCCMJYSM-WKULSOCRSA-N	543.476	5.470	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(Cl)cc1	100135493	BIRFNDRBWBXPIM-LICLKQGHSA-N	521.322	7.145	50	40	KKGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)cc1	100239050	ROHLEKYOZOMKDV-GLYRRZRCSA-N	558.416	5.233	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1	100990613	VOJQYIPBQUIWAV-IEQIIXMPSA-N	546.490	5.543	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N=C2CCCC(O)=C21	102539499	STWIAQGWDUCORA-VWLOTQADSA-N	508.043	6.688	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)cc(Cl)c2)=C(C#N)[C@H]1c1ccco1	102760617	RJVPQADKNJZEBS-VWLOTQADSA-N	597.480	6.080	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1	103729423	YCDISUUCPNJACX-OKCVXOCRSA-N	561.379	5.668	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl	103888887	CGZXSELRMDFBJS-HKOYGPOVSA-N	613.342	9.426	50	40	KKGB	
CCOC(=O)c1ccc(N[C@@H](c2ccc(N(CCCl)CCCl)cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1	104198158	WNEXBFBVGICCHY-WJOKGBTCSA-N	627.505	8.609	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	104699918	NIFXSVHBAACMIT-MMZUGVLWSA-N	529.709	7.959	50	40	KKGB	
N#CC1=C(N)S[C@H](c2cccc(Br)c2)[C@@](C#N)(C(N)=S)[C@@H]1c1cccc(Br)c1	104804475	NSAOTWDYZLQQJG-HLIPFELVSA-N	534.302	5.273	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342158	PYZYVYJSLXQWJG-REOHCLBHSA-N	892.044	10.928	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	150384307	NJCUYPWFRRERRT-GUBAARJWSA-N	640.161	7.087	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)o2)cc1	150410413	TZWVMFVMZGEYLB-KCSSXMTESA-N	654.539	5.548	50	40	KKGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c1C#N	163905950	XJDCJHUQACJGCJ-ROPCREHHSA-N	650.473	5.283	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795347	KAACBMIFXMZYAB-UWVGGRQHSA-N	930.128	11.921	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl	226384898	FGLFDHZGWFMNKM-KTCDIOFUSA-N	581.132	5.270	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=C(/C#N)c2ccc(Br)cc2)cc1I	408527186	FIPYGFMZNDGNBX-AUWJEWJLSA-N	594.028	6.510	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1	408527872	GQMNSGPHJFOTQH-XODNFHPESA-N	563.823	5.403	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)ccc1OCc1ccccc1	408537200	CRQAPBVMQSVAND-YDZHTSKRSA-N	664.350	7.629	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccccc3)cc2OCC)ccc1OCc1ccccc1	408539986	LJFQIRXZOCJWIQ-GXBUFBABSA-N	603.513	7.168	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)[nH]c2cc1C	408541655	CRDSFPXWADRQQM-GIJQJNRQSA-N	571.700	8.001	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408541963	GGYNBDLITPEXJJ-WOJGMQOQSA-N	522.483	7.362	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl	408569054	YOQSZEPJSRMXEA-IBBHUPRXSA-N	572.286	7.190	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	408580209	NBECZNMCUIEELI-LPYMAVHISA-N	552.412	6.388	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1C	408637664	MOMPDEYAEWYSRE-RLWLMLJZSA-N	523.988	6.011	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@H](Br)c2ccccc2)cc1)c1ccc(Br)cc1	408681371	JBGBAVURRAETSU-XNMGPUDCSA-N	607.298	7.246	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc(I)cc1	408711890	PBQMNPKIKKOYMT-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408717997	AAJHKLCKXQOUNX-KBVAKVRCSA-N	576.834	6.338	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(C)cc1	408726937	WGFGEERIONNFTE-NDENLUEZSA-N	524.358	5.733	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408744793	HFXZPBSGWHFBQJ-BOPFTXTBSA-N	502.195	6.881	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408749551	HMQYQJZTVSAEOT-KYHGBAKBSA-N	631.297	6.563	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)c1	408752121	FZJOTCCOPDALME-QGOAFFKASA-N	506.356	5.021	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(C)cc1	408759594	HPVAZIPBRHPHKL-QGOAFFKASA-N	527.396	5.080	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	408762282	JWEGCPVHYDBAQR-FMFFXOCNSA-N	580.747	6.155	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccc(C)cc1	408774871	NPCWILDCSCNCNT-HMAPJEAMSA-N	581.454	6.189	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408776121	MAVALCJSMBQELE-STZFKDTASA-N	571.302	6.591	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408788438	DAKJUGNZXVLVSM-MFKUBSTISA-N	675.479	7.302	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)c(C)c1	408791949	FPZKLRRCJFOHOP-MFKUBSTISA-N	511.419	7.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408792576	AZWJFLDHCWOJDI-KEBDBYFISA-N	529.851	7.787	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)c1C	408797681	SYQAZQYTTQNHET-AFUMVMLFSA-N	558.419	7.186	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408799498	ZHMQERMPJPBBAW-ZVHZXABRSA-N	541.401	6.514	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2ccc(Br)cc2)c1	408803185	MEZALVCLYWIGNG-WOJGMQOQSA-N	508.328	5.491	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408803990	BOCNXDHREYAKCS-NHFJDJAPSA-N	545.038	8.197	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408808190	FKAVZJZJGXQALN-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1ccc(Br)cc1	408810089	JUWCDACBFUMVSL-IWIPYMOSSA-N	547.449	5.997	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1cccc(Cl)c1	408816970	VAZMSSWPYKFBDG-QGMBQPNBSA-N	546.248	7.198	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1Cl	408820470	XXKZXNGXUULUHU-UKTHLTGXSA-N	538.309	7.071	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408825768	FUHARGSHLRKVGE-ALQBTCKLSA-N	635.142	5.329	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408838601	GTGMFLGPJLCYCG-ALQBTCKLSA-N	598.080	7.189	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(Br)cc1	408839734	VYIJDPJLWJTWQN-QNVXDBMFSA-N	726.878	9.084	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408839741	WAQAIDDCKSGHGD-QQMJPZKZSA-N	780.709	9.622	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)c1	408840598	CPFGCGFOKJLSEH-QNVXDBMFSA-N	621.977	9.165	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)cc1	408840836	CDYFAWCRHSXWKQ-ATZGPIRCSA-N	584.101	7.165	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2ccccc2o1	408851131	IUNNIAVGBAXIHT-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2cc(Cl)ccc2C)cc1	408856699	DDXQIVADTMQTBY-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	408857159	JUSYZRONTSPSFE-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1	408862321	GTOOTBCEBLLZNC-FMFFXOCNSA-N	580.072	6.723	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	408862485	KBWWRVXAEVBJCE-FLVUUCOMSA-N	649.567	5.051	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408868857	QFPXUWIPMWABDC-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408871883	YVIQWEPZFJUEPZ-RQZCQDPDSA-N	520.641	7.546	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Br)cc1	408877035	SLFPGQHCQGAFFV-STBIYBPSSA-N	566.477	5.098	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OC(=O)c1ccccc1	408883231	SBDUIIFGSHHYAH-CXUHLZMHSA-N	603.756	5.626	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccccc1Br	408884743	VGUVSAODKDCEQE-KGENOOAVSA-N	535.394	5.759	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)cc2I)cc1	408885636	DEZQLMQABMRUKZ-VCHYOVAHSA-N	746.124	6.934	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408886705	IKKGKEHOEIBWEI-NTUHNPAUSA-N	588.714	6.165	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(Br)c1	408894704	KSPQSQZJGIAHFS-MHWRWJLKSA-N	609.101	7.592	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(C)cc1	408894995	KBFADUGJWJKABZ-REZTVBANSA-N	546.794	6.997	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc2ccccc12	408897798	UBUORCTXLAMFGH-UDWIEESQSA-N	596.706	8.143	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc2ccccc2c1	408904433	JIFRFQBMBHUZKS-ACXHZZMFSA-N	611.334	7.807	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1	408905136	UEGOOBYDAONPOK-WKIKZPBSSA-N	529.366	5.078	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922192	DXBHRZYJIUYNFP-GZTJUZNOSA-N	604.866	5.383	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2)cc1	408923874	KTNWEKRMFHKRSA-XNTDXEJSSA-N	548.360	5.224	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1	408941322	DMEXJXAGFAQYNE-MHZLTWQESA-N	797.897	6.171	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(I)cc2)c(OC)c1	408943204	HGFNMGPHIZGDME-NDEPHWFRSA-N	840.478	5.368	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C(=O)OCC)cc2)c(OC)c1	408952983	LEAAHRFUJQQTFX-KUSRIXJQSA-N	802.473	5.696	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408969166	ILCNQLLAIYACTR-KYMQWJLESA-N	638.116	7.646	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(OC)c2)cc1	409006042	HDUFCFCGCKTIFO-OJYCWLPVSA-N	567.686	5.953	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)ccc1OCC(=O)Nc1ccccc1C	409013121	MNTJFLRVBLNNIJ-KKMKTNMSSA-N	591.256	5.016	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)ccc1OCC(=O)Nc1ccccc1C	409018507	HOLRUNFTWNEDKY-XODNFHPESA-N	605.283	5.406	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)cc2)S(C)(=O)=O)cc1	409028114	HMMDCPDRLRLFJU-FDAWAROLSA-N	549.096	5.786	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(OCc2ccccc2F)cc1	409044126	NXHSYICJJXXZDV-NNLKUIAGSA-N	568.652	7.791	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12)c1ccc(Cl)cc1Cl	409045385	PLVBHUVBFGEDGA-MVSQUAMGSA-N	645.886	6.522	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1	409059625	RFAYILOLWKUEBM-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409065152	HVCQXXJORJFQQO-GZTJUZNOSA-N	563.813	6.241	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCc1ccc(C(=O)O)cc1	409075834	UPRYCJZFHAZRQX-HYARGMPZSA-N	502.954	5.900	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1cccc(Cl)c1	409138395	BCJIWMCTYLOLKM-QHCPKHFHSA-N	527.802	6.004	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409149947	WIDGMDHHUJSTGO-FJEPWZHXSA-N	586.711	7.290	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)cc2c1	409186898	JFZGWNOFXYKNFO-YNFMAFFXSA-N	639.273	7.094	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4)c(I)c3)cc2c1	409187060	LMJDLSKXMYWDPK-DICXZTSXSA-N	540.357	5.779	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc(Br)cc1	409191256	FMVGLKPMHDLKTQ-RWPZCVJISA-N	513.819	6.183	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409220410	YXMNVLRXTFIGCX-UHFFFAOYSA-N	631.299	7.544	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	409222672	CVRYIZWAGCNJJQ-WQLSENKSSA-N	527.749	7.411	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1cccc(C)c1	409225696	NUNDQZZHOVITTE-UHFFFAOYSA-N	521.573	5.629	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1	409238069	KDMATMBNQHODBV-OXUBWTJQSA-N	544.291	6.528	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409239155	CFHZWFRSOTXVLB-BYINCCNUSA-N	574.302	7.518	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)c1	409248507	DMLLNSPQALWUDA-GIJQJNRQSA-N	617.725	7.045	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)cc1	409265818	PLZDEMGPZLRFQT-QDTIIGTASA-N	573.285	5.918	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	409314503	KVADFLXOOQTYCI-KYHGBAKBSA-N	535.427	6.924	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1OC	409323254	MTJAQFDEZWBXCX-MBTHVWNTSA-N	576.285	6.352	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)ccc1OC	409331637	HCRRVKFDHCTQKK-FTCYSYDXSA-N	661.225	7.102	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCC(=O)Nc1ccccc1	409371249	DLZOIZRJYNACNP-ZDLGFXPLSA-N	508.328	5.448	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(c1ccccc1)c1ccccc1	409392911	UBESDGDEEKRJLF-OJYCWLPVSA-N	628.364	8.226	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396608	YUMHCOGPRFBULV-UHFFFAOYSA-N	641.680	7.304	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409396835	BTBPIOSZWFIGTC-UHFFFAOYSA-N	676.907	6.980	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)cc1OCC	409397241	HUYQXTBIYQPJFQ-UHFFFAOYSA-N	616.501	7.922	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409399772	LQWQKZIIEKBZMI-WBIBEUCMSA-N	627.097	6.710	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)Nc1ccccc1F	409401451	HCLMAOJVJQEBDB-OCUJFKKWSA-N	768.434	7.720	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3ccccc3Cl)o2)cc1	409403382	MMXHIKMLFZGGJS-HQDYHJHZSA-N	599.043	7.171	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)n2-c2ccc(Cl)cc2)cc1	1885688	GNVPKWKKZLEXDZ-KBVAKVRCSA-N	556.095	5.941	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1OCC	2109541	PFCKHMFACRKTIH-ZCTHSVRISA-N	502.014	6.897	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1	2213636	FNEXYJVYQFLUPB-HEQFHQOESA-N	522.457	6.675	50	40	KKGB	
Cc1ccccc1N1C(=O)[C@H](Cc2cc(Cl)ccc2Cl)S/C1=C(/C#N)C(=O)Nc1ccccc1	2386889	PTVKHWYCXRHPSG-RKZIHRPTSA-N	508.430	6.367	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1c(Cl)cccc1Cl	3136571	DNNYIGJZHWICGE-AERZKKPOSA-N	559.867	5.810	50	40	KKGB	
N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)S(=O)(=O)c1ccc(Br)cc1	13149152	CVLPICBKNCYYSS-CPNJWEJPSA-N	501.789	5.693	50	40	KKGB	
CCOC(=O)C(C#N)=C1/C(=C/c2ccc(Br)cc2)CC/C1=C\c1ccc(Br)cc1	15913867	FWWISIHVFKYMHI-JIBZRZDWSA-N	513.229	6.856	50	40	KKGB	
N#C/C(=C\Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)S(=O)(=O)c1ccc(Br)cc1	18113866	YVAIRJDMDHZSPL-LDADJPATSA-N	558.763	6.559	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccccc1Cl	59245283	QIMRPJPKBZZIEQ-WOJGMQOQSA-N	512.349	6.425	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2cccc(Cl)c2C)cc1	59647372	GWQHUNBFVOEGOO-QLQYKETESA-N	612.151	7.035	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1)N/N=C/c1ccccc1F	79047113	VCXNIMYSHGBMGL-DPNNOFEESA-N	509.968	6.890	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1)C(=O)Nc1ccccc1	97964049	QNAYHCCFOUCSBW-NCELDCMTSA-N	545.477	7.500	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2C)cc1	100212218	DOGAFQVXRKXRDL-IHELAITMSA-N	606.726	8.159	50	40	KKGB	
O=C(O)/C(NC(=O)c1ccccc1)=C(\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100470435	YETXCTDLKKVEQC-MVJHLKBCSA-O	528.568	5.864	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ncc(Cc4cc(Cl)ccc4Cl)s3)o2)cc1	100878832	PIWALQFSDPYFCS-XDHOZWIPSA-N	552.439	7.023	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1OC	100956462	UDUFSQFQJRKKEV-ONDMRUQVSA-N	548.064	5.142	50	40	KKGB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1	101006551	PNSLXWUCHLPNOP-OOAXWGSJSA-N	573.740	5.797	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(OCC)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	101042389	TVKCIPAERMIZEN-MHZLTWQESA-N	574.102	6.507	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Br)cc1	103844419	USBSSCQMSFFPIL-OCSSWDANSA-N	581.308	6.005	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(Cl)cc1Cl	104401944	AXAJEBXZTXWZKC-LUOAPIJWSA-N	587.095	6.870	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	104699825	GEKLDZLWAHRSIY-LPUBULDDSA-N	506.650	5.499	50	40	KKGB	
CC1(C)O[C@]2(CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)CN1C(=O)CI	118918417	RWFLLQUFBKGYBI-SBEHTTFISA-N	513.504	6.188	50	40	KKGB	
Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)CCNC(=O)c3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)CCNC(=O)c3ccccc3)c2c1O	150344693	JBMKKBBPNATLGD-GWJAOTRBSA-N	896.998	7.298	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	150438802	JONPEAFQUWVOEH-IEQIIXMPSA-N	635.996	7.215	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795293	LKBRVJJAQWSEDF-BQBZGAKWSA-N	788.033	9.481	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1	408536676	AHOVTCYOLSOZQL-NLRVBDNBSA-N	583.482	7.551	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC	408538088	IXMWUUVRIINOHI-AQTBWJFISA-N	505.840	7.006	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1Br	408540000	LOSDXXHNKJQWJO-FSGOGVSDSA-N	574.357	7.797	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551207	JKQHYOQRAFNKAE-ZDLGFXPLSA-N	602.858	6.395	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1	408552199	HZLUWRXWQHDWOI-BCHBDCPOSA-N	511.192	6.082	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408580755	RPRQCBRPRGNFHJ-CXUHLZMHSA-N	544.745	7.174	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408613327	ZBEYZTJTCWMRLX-CCVNUDIWSA-N	500.382	5.368	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408638682	DDENTWOWGKCOJZ-DWLFOUALSA-N	568.284	6.226	50	40	KKGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Oc5ccccc5-c5ccccc5)cc4)[C@@H]13)[C@H]2Br	408687736	UULRMYGQQSSBDG-BIKTWNJESA-N	504.380	5.655	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)ccc(Br)c1Cl	408690657	WFTBXNLZNZFJOQ-MVJTYMMSSA-N	602.696	5.321	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408722225	FIZTZFXGINXXLV-WKULSOCRSA-N	523.814	6.364	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)NCc1ccccc1	408745962	BNUYMXCQLOPNNA-NDENLUEZSA-N	539.329	5.002	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)ccc1I	408748102	YJOGUAQUKQHUFX-ORBVJSQLSA-N	668.540	7.365	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408752253	CPCMERUMDXYFFN-AMVVHIIESA-N	641.410	7.796	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1	408752659	JCJHASBHCHTVJQ-MFOYZWKCSA-N	579.221	6.731	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1ccccc1I	408754145	PPAIMLWOQSMJHB-SSZFMOIBSA-N	573.184	5.819	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(F)cc1	408755482	NYQXYRFATAEJRD-MFOYZWKCSA-N	560.217	6.484	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(I)c1OCc1cccc2ccccc12	408755900	WUAPQUJRWTZYHH-FABQOPTDSA-N	631.470	6.499	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(C)cc1	408762599	FFJYIXFBSYBGMX-JAIQZWGSSA-N	570.281	7.043	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2cc(C)cc(C)c2)cc1	408771573	HJBPQWFDRXFKGM-UHFFFAOYSA-N	511.732	6.584	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408789410	PXNLNVIEAKBEPA-ZVHZXABRSA-N	661.452	6.912	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408789726	RTJOXSSOGFUSLU-LZYBPNLTSA-N	669.188	6.068	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408792573	LBOHLWQQXAOLED-UDWIEESQSA-N	525.388	6.303	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccccc1F	408795438	VKUFDHYGTWSQQH-LICLKQGHSA-N	544.320	5.269	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1C#N	408796247	NMHWIVNZDWJXLM-FSJBWODESA-N	530.422	6.461	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1Cl	408796900	QIAXCXJSPWQFGR-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1C#N	408798311	WALLYZQPRSXDKF-WSDLNYQXSA-N	563.395	5.995	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(C)c(C)c1	408798453	FHXFMWCKCHHWAX-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408798667	WOWBOZKEWXZFBC-LZYBPNLTSA-N	683.094	6.849	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408799541	ZOYRBGACHLWZDB-ZVHZXABRSA-N	652.372	8.858	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1cccc(Cl)c1	408806081	AECFTIMBCUVQHD-VCHYOVAHSA-N	501.797	7.170	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1C#N	408810328	JLMWQJHRDZNRHO-KCDOPAPYSA-N	516.395	5.693	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccccc1F	408811334	LBFSKJSDYDCXOV-SXGWCWSVSA-N	656.087	7.080	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1c(C)ccc2ccccc12	408819635	YFULKJWEMHHXEV-BUVRLJJBSA-N	511.021	7.633	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408822029	ADUSXWRHGBSJJZ-DMWKKASYSA-N	668.386	6.682	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408833709	SISBBMFHWDVDPS-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408839351	QZGIWCQJIMPIAQ-IZYHBKOJSA-N	685.600	8.064	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(Cl)cc5)c4C)cc3)cs2)cc1	408848848	WKCFXEJYBYBGLG-VTNSRFBWSA-N	540.092	7.687	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408850957	HAUDAGXFFSNCBK-QHDYCIAZSA-N	574.637	7.103	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1	408851491	CCFZWRRXKVSFGL-NVJOKUIPSA-N	592.671	6.963	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)cc1	408852785	NHYPJYLLBXJLTH-APTWKGOFSA-N	552.034	7.186	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(C)c1OCc1ccc(Br)cc1	408859985	WSGJCGCIEPYCHF-DEDYPNTBSA-N	540.255	6.953	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cccc(C)c2)cc1	408862205	GFKLOYGIODELRH-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408877417	RMHSZFBXCNBABD-LZYBPNLTSA-N	570.192	7.899	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408882397	OYVSZMKVCHXZEK-YBFXNURJSA-N	515.824	7.479	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OC(=O)c1ccc(OC)cc1	408885718	FITDIUGFFVTBME-GZTJUZNOSA-N	637.257	6.770	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1	408886198	IUUGYHHQSOFGOF-BRJLIKDPSA-N	602.688	5.162	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408889258	BGHSLPMAESEVEP-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OS(=O)(=O)c1ccccc1	408889654	INEQUNWTHWBFHT-MHWRWJLKSA-N	596.286	6.468	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1	408897115	VUALOSSDWZSTDR-CIAFOILYSA-N	509.831	7.152	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccccc1Cl	408897171	WRXQWWDGHNVMOG-LDADJPATSA-N	501.797	7.170	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	408898046	JTVXMJYJQVUNOD-RVDKCFQWSA-N	794.229	8.307	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408898204	VRPQTJCYYYNKHU-FYJGNVAPSA-N	525.026	5.977	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)c(OC)c1	408952510	KOIFCIAONBVKJU-UIGQDENISA-N	744.437	5.828	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1	408973508	SWOMYEGONYKDGI-WMMGULLOSA-N	677.585	6.055	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408984476	RKVWRGFYJGSQTN-IDUWFGFVSA-N	627.693	7.693	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	409004612	XTHBWTOMLYPTPE-MJUYWVACSA-N	562.069	7.084	50	40	KKGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409008976	PNSREBRQGLTKNK-BPDROILWSA-N	620.079	6.504	50	40	KKGB	
N#CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br	409014599	NFFYIYZDIYXWGC-RINMNROASA-N	632.342	5.695	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	409018883	ZQKQGTKVFJQXIM-UXHLAJHPSA-N	602.551	5.286	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020439	PJEVBKVHRFVPBW-ZSNJKBEMSA-N	581.713	6.261	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccccc1	409032196	LLZBNFZQBIAPMJ-HNSNBQBZSA-N	613.455	6.858	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1	409050103	YVSBRQGZBZRZMT-RQZCQDPDSA-N	576.672	6.998	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccccc1	409053954	FATQNGQLJPLXTD-XDHOZWIPSA-N	569.355	5.680	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)c1cccc2ccccc12	409182487	LNIDXCAZPQKLDT-WTZVGLIKSA-N	616.504	7.113	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCC(=O)Nc4ccccc4)c(OCC)c3)cc2c1	409186529	DHYOVHCZFYNMGA-UHBFCERESA-N	627.435	5.616	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1	409188526	CRNCWXMSTHQNSR-RPPGKUMJSA-N	552.650	5.973	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	409215292	WYTARXMVJJQNAR-LUOAPIJWSA-N	605.712	7.073	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409226290	UOFSOMFKXLBPHY-WOJGMQOQSA-N	554.828	5.983	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)NCCCc1ccccc1	409233598	GSUSTCSAIAZHDQ-XKZIYDEJSA-N	692.291	5.829	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409238717	LSCDDCIISXZVLP-FXONECCMSA-N	535.471	7.484	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409242980	QDKXRKSRQDDAFM-HAHDFKILSA-N	553.884	6.736	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409256378	OMMCCMKJFHJTCU-IPHFVPNQSA-N	581.669	6.153	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409256951	MYWYMCPDGKIZAT-JAIQZWGSSA-N	548.983	5.827	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)c1C	409260211	MPUPZNGDXYJWRT-SRZZPIQSSA-N	597.307	6.069	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1	409265330	HPVLRXTVEFMBNQ-MTJSOVHGSA-N	592.446	5.424	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1	409265701	OAHYIIQLRIAWRH-KMUKQRDJSA-N	630.539	6.825	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1OCC	409300946	BKVSASYXDFBLST-UHBFCERESA-N	529.471	6.133	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccccc1	409313684	PDKANWFQALOJDK-UHBFCERESA-N	576.949	6.300	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C#N)[C@H]1c1cccc(Br)c1	409315108	HVCAQVHYUATWID-MOPGFXCFSA-N	602.816	5.231	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)NC(=O)C[C@H]1c1ccc(F)cc1	409323323	NEQXSTVHPONIGH-AWEZNQCLSA-N	528.325	5.318	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3F)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409326185	HWQQBIITOXHFOW-WOJBJXKFSA-N	631.307	5.403	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)ccc1OC	409328079	YSRXQDHRJCQFDZ-FDVSRXAVSA-N	571.424	5.296	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409352573	DKBWQYFDOBWDDD-KKMKTNMSSA-N	592.244	5.270	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409366015	XKZFFCBZDOZGEN-AEVGBRMKSA-N	749.606	7.786	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccccc1	409394403	AAJHDUNQKQBGRZ-UHFFFAOYSA-N	528.395	7.125	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395237	LJOFKYKAMILGDV-UHFFFAOYSA-N	676.907	6.980	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccco1	409395348	MNNZMNNQFSTJBX-UHFFFAOYSA-N	675.255	7.955	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1	409396628	ZNUGTXWRFFMPHO-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl	409397400	JLOLODZFAUBFHE-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(F)cccc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409397827	OLXGLTFHGLKFHP-UHFFFAOYSA-N	630.072	7.417	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398610	UUXZPKRLRUSPAJ-UHFFFAOYSA-N	685.789	8.939	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409398636	FHROVBHLUVAVAX-KOKCXWAISA-N	641.124	7.018	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409406455	WUUGLLMLSGMDRC-GZOMZLSJSA-N	720.020	7.862	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1	1529548720	MTTIXPCJZIQTEI-LAXCASJBSA-N	627.550	5.457	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(F)cc1	1531386388	VGIOVANGMWMJTA-KMUKQRDJSA-N	567.617	6.757	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1C(F)(F)F)=C(C#N)[C@@H]2c1ccc(Cl)cc1	2239067	BEGWTXNGFKBUGK-QHCPKHFHSA-N	546.014	6.796	50	40	KKGB	
CCOC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	6089609	KNUBFFHFWORXOG-DDFGHHCKSA-N	543.472	7.464	50	40	KKGB	
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NNC(=O)Nc1cccc(Br)c1	6474286	WUUCEMGLTNPCEI-UHFFFAOYSA-N	558.461	5.995	50	40	KKGB	
COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4cccc5ccccc45)cc3)n[nH]2)cc1	9374613	KVJGUYRIZZZECF-FDAWAROLSA-N	504.546	5.359	50	40	KKGB	
CCOc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5)c(OC)c4)CC(=O)N3C2)cc1	9693528	UWDSIKKWANCGDT-VWLOTQADSA-N	527.646	5.892	50	40	KKGB	
COc1ccccc1/C=C\C=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1	12464679	WILQGSKEXVNXRF-WQIZKIIMSA-N	506.678	5.900	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@H]3C)N=C3CC(C)(C)CC(O)=C32)cc1	13175294	RDCYZPXRHDAUKC-DNOBIOAJSA-N	513.663	6.312	50	40	KKGB	
CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(/C)c2ccc(Cl)c(Cl)c2)cc1	15134731	UQEVPOJYJRHECN-SAFOKSQISA-N	510.421	6.094	50	40	KKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	30821997	GFIDOSSDPYAITL-IZGWQLHLSA-N	522.514	5.347	50	40	KKGB	
O=C(N[C@@H](CSCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	33354484	PFWTUTWSFOSJJR-OVPPKVEPSA-N	663.712	6.417	50	40	KKGB	
CCCCc1ccc(NC(=O)C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1	33354722	QAFOUECPZNAUKP-LIUVYIKDSA-N	610.714	5.629	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]12	34651262	QQPIYUDJYPYGNB-CUPIEXAXSA-N	503.605	7.180	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1cccc([N+](=O)[O-])c1	34869935	JJAJNUIAKBUKLE-NVMNQCDNSA-N	500.267	5.982	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c(C)c1	40486446	NKOAJVNGQOMGFY-RUZDIDTESA-N	506.071	6.394	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(C#N)/C(O)=N/c2ccc(F)cc2)cc1	97971145	JLCXIRLXPSRUMP-QPSWJSTDSA-N	526.420	7.155	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1cccc2ccccc12	100066415	XWSBHUBEZMFKQA-AJBULDERSA-N	526.065	6.682	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126109	KOPHZPRCCYTFEP-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C\c3cc(Br)c(O)c(OC)c3)nnc2-c2ccccc2)cc1	100851960	YUCWOQBENTXTBG-MBTHVWNTSA-N	582.480	5.052	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1	102080912	DPYKVXWSRZPSMD-IVYNLYIOSA-N	563.293	7.365	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)CCl)[C@@H](O)c1ccc([N+](=O)[O-])cc1	102092803	ULNFLTSOFITTNS-SQHAQQRYSA-N	527.102	6.376	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N1	102808202	JKPSKGNIBXRZNO-HHHXNRCGSA-N	540.689	6.528	50	40	KKGB	
CC[C@@H](Cl)COP(=O)(OC[C@H](Cl)CC)O/C(C)=C(/C)OP(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161425	LIYOQJAPSXULFY-YJZAXOBZSA-N	610.276	8.623	50	40	KKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2n1Cc1ccc(Br)cc1	112258439	LQYZEXZGIFFKTG-XSFVSMFZSA-N	555.501	7.118	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)c2ccccc2)C[C@@H]1C[C@H]3Br	118934282	LRUCATHKPYDWOQ-ZUMNIFBMSA-N	571.684	9.707	50	40	KKGB	
FC(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341984	YFXLVZFNAZIKAE-REOHCLBHSA-N	692.016	8.387	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1cc(Br)cc(Br)c1O	150405435	NPZISMRTXPAZJX-KKMKTNMSSA-N	666.193	6.170	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	150485041	ZPNUMOAEYDIQBV-UHIZKJEFSA-N	679.966	5.737	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408541048	XMPOGWORYHLUMF-LLWBAHTNSA-N	674.794	8.384	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(C(=O)O)cc1	408543924	TYFDIUSEAWHEMW-IDUWFGFVSA-N	537.624	7.751	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408567023	CGNRSZNNFZUNKX-UUASQNMZSA-N	547.211	7.423	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1cccs1	408640995	BXTOMMTWBFKILB-NRHSGRHJSA-N	635.161	5.073	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408727028	WZSCPLYHBNXABZ-MFOYZWKCSA-N	609.247	6.827	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	408742784	CASJGUPPJGVNFE-IUXPMGMMSA-N	550.667	7.842	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)ccc1I	408746745	GMSJPJLDHMNNBG-RPPGKUMJSA-N	691.101	6.010	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)ccc1I	408748074	XYOLJYGROGVMAZ-LQKURTRISA-N	536.369	5.796	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc2c(c1)OCO2	408751279	YUKONGMAZRJZMR-VTNSRFBWSA-N	589.442	5.152	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1	408752799	CIZWDYCYPOFAEC-ATVHPVEESA-N	531.815	5.724	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408757817	CQAGMXQWHOXIGK-IUXPMGMMSA-N	580.693	7.933	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1cccc(Br)c1	408766938	XHDSVHFHOIVXAA-XYOKQWHBSA-N	517.133	5.925	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(F)cc1	408792918	MLQBXWKKXCTQIL-KOEQRZSOSA-N	508.549	6.538	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2I)cc1	408794112	RLDUIYVTFBOXMV-SRZZPIQSSA-N	648.282	6.946	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408795778	NBSNQYKTYWNIOQ-GIJQJNRQSA-N	654.673	6.982	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408795867	NJOSDKBPZMCRGL-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408798065	UNXIWIKUFXTVOV-UDWIEESQSA-N	627.391	5.509	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408798334	WEACFFJKVOLXRW-WUXMJOGZSA-N	576.015	5.918	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccccc1	408798536	VRHRHQLHTURYDC-RGVLZGJSSA-N	525.830	6.934	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC	408800504	NDCYETHPLNPUGQ-OQLLNIDSSA-N	510.759	5.678	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1	408802984	JYHLBIZYGVXCND-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408826736	CSHRHADPNXAUGJ-OCSSWDANSA-N	509.587	6.127	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc(C)c(C)c1	408834822	MHDVEMXJNOYQMV-WPWMEQJKSA-N	597.509	7.778	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1	408835985	OXUWSYHOHQEFSL-KOKCXWAISA-N	712.011	7.512	50	40	KKGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408838116	RNKVGFSQHKTAEN-KEIPNQJHSA-N	567.642	5.904	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408838256	UAQNKYMRJDOHLR-QNKGDIEWSA-N	571.699	5.627	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408838808	ISIHWAAFGTWKFP-ATZGPIRCSA-N	632.923	7.553	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Br)cc1	408838828	IZDLZDZEMIUZSB-XJECJHNESA-N	721.973	7.860	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)cc2)c1	408839125	NLOPFKACXFXONA-FDAWAROLSA-N	511.965	5.884	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccccc1C#N	408840198	CIUDIIIFHJHVCN-PTEHHBOZSA-N	658.500	7.210	50	40	KKGB	
CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408841220	DGRDUPDGDYZPRX-IPPBACCNSA-N	585.911	7.141	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cc(C)ccc2C)cc1	408842115	LWRWNGXLYDROHS-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(F)cc1	408843523	FSFWFVMYFOEIIE-MUXKCCDJSA-N	558.347	5.918	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408845914	PVTGELKARHEBEX-KVAAJVFYSA-N	610.881	7.281	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1Cl	408851610	DGQQUQJXEKDNRS-XODNFHPESA-N	552.252	6.263	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)cc2)S(C)(=O)=O)cc1C	408863022	KBRWRGYYQYRJAB-UZWMFBFFSA-N	541.673	5.613	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1	408872323	DBRLIBQIZOXAOW-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	408873241	PHQJLZBPSPZMAP-OCSSWDANSA-N	539.032	5.232	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1c(Cl)cccc1Cl	408891271	NWCVTCHWOADKAL-LDADJPATSA-N	515.824	7.479	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408900877	YKMJBVGAGKWFBX-LZYBPNLTSA-N	591.643	6.898	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408923479	IRZUNMDUDITKQS-UDWIEESQSA-N	598.475	5.346	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(OC)c1	408924541	PBRBZAXYXCJIEW-PGELQFCNSA-N	720.404	6.064	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(OCC)c1	408939466	AVEFBLULGAMBKZ-XIFFEERXSA-N	731.669	6.465	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)OCC)cc2)c1-c1ccccc1	408945966	LZUMQHMJJMIWBK-KXQOOQHDSA-N	741.870	6.873	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408948375	RIKIPIYIEOCRJQ-FZPRHHONSA-N	545.083	7.069	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408954299	NHHDWNGUXKCJIC-ZWMDOUSSSA-N	725.626	6.428	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C#N)cc3)c(I)c2)c(OC)c1	408956509	QPFZUWNKJQPFMX-DLVDTJDKSA-N	802.420	5.233	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c2ccccc2)cc1	408981623	VZWUVQNITLPNFA-BMPNZVKJSA-N	599.782	5.775	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc2c(c1)OCO2	408984833	SWSIAJXPQNLUSW-WSVATBPTSA-N	555.812	6.273	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408986754	DJQRARGXQFPIMM-NHDPSOOVSA-N	541.862	7.817	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1OC(=O)/C=C/c1ccccc1	408997503	MSJUUAAZIPJJLW-JMPGKORSSA-N	547.611	6.029	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(C)c4)c3C)cc2)S(C)(=O)=O)cc1	409027409	HIFQYSYIYHEGBE-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(C#N)cc1	409032046	HZKNXLARRXLHHU-XZYGTATASA-N	591.465	6.887	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409064748	FVZSRRDQAHWSFM-XMHGGMMESA-N	526.973	5.530	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	409072921	UHDDKKOIYSCGHB-RCCKNPSSSA-N	523.010	5.699	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1	409089185	HUDQMGQQSBAENR-AWNIVKPZSA-N	645.613	8.130	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Br	409121269	UHTGTGZSTRPTHJ-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409128477	FQUSNIBMSAXKCC-MUFRIFMGSA-N	573.071	5.208	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	409165627	AGXZRMPDPXVDRB-FJEPWZHXSA-N	532.855	6.793	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)cc2c1	409183283	AHMPUOYWINWYLR-DBFSUHOCSA-N	590.243	6.839	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2Cl)c1	409218791	HAYPNNYASVLLSG-UHFFFAOYSA-N	576.834	6.338	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409220339	XGKLFXSKGUDQSH-MHWRWJLKSA-N	622.246	6.170	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)c1ccc(Br)cc1	409220349	XOACPDJELRKQGL-UHFFFAOYSA-N	616.424	5.422	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)c1cccc(C)c1	409227211	UJWVUMLFOKVFOW-UHFFFAOYSA-N	566.570	5.537	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c2)c1	409227463	YRYSTTOXOGIWHI-UHFFFAOYSA-N	625.273	6.348	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1	409262051	CGLOMIBQZGRXDA-VKABLRQNSA-N	512.393	5.084	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	409263107	HANLRUIIORWRRL-MHWRWJLKSA-N	571.225	5.480	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)cc1	409263604	IHBWSJIOPNBKOA-UDWIEESQSA-N	627.333	6.790	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1OCC	409313917	DKEYDZDBTZFTFG-RHANQZHGSA-N	588.442	5.830	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccccc1Cl	409316059	KURLRNOIELGCIY-MUXKCCDJSA-N	547.833	5.861	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1OC	409318074	WSEBUIIAPLGUOC-YUMHPJSZSA-N	561.454	5.087	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OC	409320076	BNIPMQJEWYRVAB-UHBFCERESA-N	575.887	6.642	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OCC	409321778	JKWOCUOBFPWWFB-LJUMEUDFSA-N	554.043	5.626	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1	409364365	WPFOOHVVLDBTGK-VYYCAZPPSA-N	548.808	5.533	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409365656	RHGXPFWPQIKJFB-RPPGKUMJSA-N	517.767	5.152	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1ccccc1F	409372760	JKUZKZDXLZUHLG-WCMJOSRZSA-N	506.961	6.383	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2OC)cc1	409381400	FWIXZAZFUKLXHY-VHFSBPNMSA-N	700.615	7.423	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387920	YLBVIIZHZRIEFD-LUOAPIJWSA-N	579.259	7.222	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409394671	DKVFZSJKXRDYRA-UHFFFAOYSA-N	689.360	7.689	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409394881	GZYHSWVRMQZFHV-UHFFFAOYSA-N	726.219	8.114	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)[nH]c12	409395126	KDNKKUIDNOVRND-UHFFFAOYSA-N	519.557	5.835	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(C)=O	409395284	LXUUHPTZSJSTTA-UHFFFAOYSA-N	789.864	9.084	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395313	MEBHFEXTLCPCSS-UHFFFAOYSA-N	691.332	7.080	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccccc1	409395836	SFVGUTWUFMOXFY-UHFFFAOYSA-N	561.947	7.490	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(Br)c4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396107	ARMBUFKAZPUKBU-UHFFFAOYSA-N	735.031	8.439	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396463	RTFJNBHVAIXDDX-UHFFFAOYSA-N	626.065	6.804	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409396895	CPIYPPYTIWKQCF-UHFFFAOYSA-N	591.973	7.499	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409399058	XPTMCWUQZOQQNF-UHFFFAOYSA-N	616.457	7.252	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccccc1F	409399945	MFHJJUBXPSONJC-WBIBEUCMSA-N	610.642	6.195	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4cccc(F)c4)c(I)c3)o2)cc1	409400751	FHWITYXGYVWCMG-VHFSBPNMSA-N	706.512	6.791	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(Br)cc3Br)o2)cc1	409403760	NTUUDKFGQSUCNO-QMRORBIVSA-N	722.390	8.042	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3OC(=O)c3ccco3)o2)cc1	409406823	CZSXSBMRDWSWMH-MHDJOFBISA-N	681.337	7.367	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1	659894	YXSSHVKLVATSEV-OLILMLBXSA-N	536.588	5.619	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc(Br)s1	1817807	HBGNQHUKOTVLRN-FBCYGCLPSA-N	519.924	5.550	50	40	KKGB	
CCOc1ccc(N2C(N)=C(C#N)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)C3=C2C[C@@H](c2ccccc2)CC3=O)c([N+](=O)[O-])c1	8456019	LFWQREWZJLBDJI-KWMCUTETSA-N	586.004	6.254	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1	9879448	NDPZQZRUBVJRHS-STBIYBPSSA-N	504.428	5.852	50	40	KKGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(Br)cc1	12563009	OTXHBLCCHGJBEX-ZVHZXABRSA-N	506.809	5.057	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	19940175	XPNBMLFRHFNCNU-GDLZYMKVSA-N	522.674	6.318	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	19956483	SCVKLTMSFCOVPG-MTDXEUNCSA-N	525.696	5.276	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	20233159	STSZUFOEPDSYKX-AFUMVMLFSA-N	508.452	5.061	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	20233450	KBAAQVLGNPNGRX-LGJNPRDNSA-N	510.830	5.377	50	40	KKGB	
COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1	33445252	QIGYJXJZMWAPMT-GOHCDNDPSA-N	504.011	5.722	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	97960636	FBWZWBYJNXCYSD-VCHYOVAHSA-N	527.205	6.752	50	40	KKGB	
CC(C)COC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1	97965100	FPXXTSKEQDYMPU-PDGQHHTCSA-N	550.434	6.468	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C\c1ccc(Cl)cc1Cl	97966322	GVHHIXIZWDGWJO-FTHJUIQYSA-N	680.420	7.891	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CCC2	98007251	MUAOBLWRNZMWDY-FQEVSTJZSA-N	538.102	5.491	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	98048468	ZEVSXBLEPVYBJV-XMMPIXPASA-N	522.457	6.792	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)cc1C	100124599	VUADOPKEFVTMKQ-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126308	PTNSOHWYNDEYCM-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1	100326345	APTONZSDECPEJH-KBKYJPHKSA-N	564.763	5.025	50	40	KKGB	
Cc1ccc(SC(Sc2ccc(C)cc2)=C(NC=O)P(=O)(c2ccccc2)c2ccccc2)cc1	102431423	UQARDXFLEKPMJR-UHFFFAOYSA-N	515.640	7.075	50	40	KKGB	
COc1ccc(/C=N\NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Br)ccc4n3)cc2)c(OC)c1	102643353	JQVWHWCFGQXWGZ-FZKWRIDDSA-N	596.481	6.878	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CCc5ccccc5)(c5ccccc54)[C@H]3C2=O)cc1	112255466	GAJDSFQBXPIMNY-SOBWUQEYSA-N	539.635	5.281	50	40	KKGB	
CC(=O)O[C@@]12C[C@H]3CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@@H]5[C@H](C)CCCC(C)C)[C@@]3(C)C[C@@H]1[C@H](Cl)C2=O	118936420	GXMVZVDZUMWBHC-KPZUPFGVSA-N	505.183	7.826	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	150473818	SHMIQXQPROLIDI-KCSSXMTESA-N	639.572	5.528	50	40	KKGB	
CC(C)OP(=O)(OC(C)C)[C@@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)P(=O)(OC(C)C)OC(C)C)NC(=O)C(F)(F)F	150509144	MATHCOUFSUCJHW-YRPNKDGESA-N	814.742	5.473	50	40	KKGB	
CCc1cccc(CC)c1-n1c(SCC(=O)N/N=C\c2sc(N3CCCCC3)nc2-c2cccs2)nnc1-c1ccc(OC)cc1	159119278	ZCVICXRSANFMIW-IPHFVPNQSA-N	671.918	7.485	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	164733035	VXEAEVKOZDXJHS-CHHVJCJISA-N	626.088	7.551	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552886	RZLVUTNZWXYRLN-LICLKQGHSA-N	578.374	6.974	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408567433	DTWNUUFNSITHFQ-MFOYZWKCSA-N	582.373	5.705	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408569308	NCWJAPQYUJEXTE-CCVNUDIWSA-N	716.404	6.483	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408570425	UWXNMQPGSZKXHY-JFLMPSFJSA-N	539.635	5.190	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1Cl	408578817	BESVMDWGGAKBSH-RQZCQDPDSA-N	503.179	7.097	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408581355	WINPCABQSGMVJX-GIJQJNRQSA-N	546.248	7.155	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCc1ccccc1Cl	408599801	ZZMFTCCVIJSCES-LICLKQGHSA-N	573.843	7.065	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)CC2=O)cc1	408601538	BHYXQWVCFPAIAT-IBGZPJMESA-N	528.436	5.640	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3Cl)CC2=O)cc1	408605345	JSSWKCVWWHPOEA-GOSISDBHSA-N	514.409	5.467	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(F)cc1F	408608492	WURZQTTWXHZFLZ-YBFXNURJSA-N	502.521	5.938	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408639289	FMYVYYLIUJPWQV-NGSHPTGOSA-N	751.255	6.683	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408644673	HEZHPQXCUKQISP-LJOMWUKNSA-N	643.159	5.400	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408646941	JCVZBPDEXMPRRR-XBXFGTNCSA-N	643.159	5.400	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408672557	NSXQCOLTQUUNMV-VQHPVUNQSA-N	554.666	5.327	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl	408683082	HIQDFORVMMSUOI-IOGQTDPRSA-N	589.781	5.124	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408688658	WLIMODLAEGKPTN-BDXSIMOUSA-N	633.562	5.582	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c1	408710554	FWBAKDPZHZBUNT-FJEPWZHXSA-N	598.291	6.725	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1cccs1	408722083	DEOOABLTRCLDEM-OWXSLZCQSA-N	538.028	5.368	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408745630	UMGNSDCIRFKXTQ-UNOMPAQXSA-N	539.329	5.633	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCc1ccc(Br)cc1	408746817	WBUDHGWJEATUAA-JLPGSUDCSA-N	531.450	7.009	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Cl)cc1	408750901	TWPNUNPYOXQVEQ-KYHGBAKBSA-N	549.410	5.657	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1cccc(Cl)c1Cl	408754716	LJOWVQWOYQOAHS-NTCAYCPXSA-N	516.178	6.521	50	40	KKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccccc1I	408765789	YBZDQLPOIVVMMF-JCMHNJIXSA-N	530.365	6.569	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OC	408766641	WEJIRJCDLQBKKO-NTUHNPAUSA-N	527.156	5.007	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408785845	ILOICHVEJYJIPW-JCMHNJIXSA-N	582.926	7.472	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408790197	UZMIAJVEQKSKTM-LZYBPNLTSA-N	583.640	7.376	50	40	KKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408794167	IDFAYHKNBIASDG-RCCKNPSSSA-N	534.353	5.428	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795262	LVGIAMOOGUASJV-VCHYOVAHSA-N	633.236	5.642	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408795983	NUXIBQJXMBMUNO-YBFXNURJSA-N	555.812	6.324	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408796218	NLEMUDXOVMRKPF-GIJQJNRQSA-N	747.154	7.504	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408799012	XWXISOHJYDANPH-FYJGNVAPSA-N	503.385	7.280	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2ccc(Cl)c(Cl)c2)c1	408803613	RGFKVOPDVOSWHZ-CXUHLZMHSA-N	522.215	7.433	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(F)cc1	408820306	VJFYRYPEKNHZSK-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)OCc1ccccc1	408823686	OKVXMNLKXFQOSX-FZEMURNFSA-N	587.655	6.298	50	40	KKGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(C)(=O)=O)cc1	408824917	BJSNJJLDAWOCJG-WGNGTQIVSA-N	659.386	5.657	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408826965	LWCQUCMNRTWZCB-OVVQPSECSA-N	623.934	8.959	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408831273	ZHSZEWJNUJRNTN-LGUFXXKBSA-N	590.035	8.105	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)O	408839852	WTTXCHZOALVVLF-VVEOGCPPSA-N	585.469	6.487	50	40	KKGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408841209	JWFRIDRZOCJIHP-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1	408847984	OSCZUIHAYRJHRV-WKIKZPBSSA-N	513.775	6.200	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1	408848796	UKSGOJPKKXERGZ-CPDSRJINSA-N	558.259	7.574	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc2cc(Br)ccc2o1	408849984	CFNZZAQAYOXLLL-BCHBDCPOSA-N	619.209	5.872	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccccc4Cl)c3C)sc3c2CCCC3)cc1	408851831	AJFAUBNLEUVOFU-VTNSRFBWSA-N	545.108	7.012	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2cc(Cl)cc(Cl)c2)cc1	408862721	HPJCLMKLYOQCRB-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408868624	NVPOQNHHRYYAJX-PCLIKHOPSA-N	541.420	7.304	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cccc2ccccc12	408889012	APZVHLOELHZLMH-RWPZCVJISA-N	632.239	6.392	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Br)c(OC)c2)cc1	408889014	AQFDVHGYXCHNLY-UDWIEESQSA-N	570.281	6.907	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1cccc(C(=O)O)c1	408903868	APQQXPJOLAHWIX-QDTIIGTASA-N	605.283	6.352	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OCc1ccc(F)cc1	408926770	ZGEYOOBFYSWLPC-MUFRIFMGSA-N	569.374	5.573	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc(F)cc2)cc1Br	408939744	BJGVYFXQKSKATD-GDLZYMKVSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccc(C(=O)OCC)cc2)c2ccccc12	408953286	XIWZFWBKDHTAET-XIFFEERXSA-N	667.788	5.060	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408969240	JXTYBDFCPVDUOL-XMZIQHRISA-N	604.534	6.526	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408970423	HQAOHQWFGMSVNA-DCUKZYAVSA-N	616.929	5.703	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCCOCCOc2ccccc2)cc1	408971531	HVRISBKSJVFKQV-HEHNFIMWSA-N	537.410	5.478	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408972836	WBDDABGEQOFNHS-VULFUBBASA-N	522.479	5.057	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)cc2)c1C	408982806	FIZLJBBQKAUNAE-LDADJPATSA-N	515.782	6.206	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	408993832	XCBSOERBSGOBQY-YNRPESBKSA-N	697.795	6.401	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1	408996725	AEUYANVUFKVHDM-DTWZTBRYSA-N	537.447	6.324	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccccc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409000269	YETBGMMCIKIZQQ-LICLKQGHSA-N	568.092	8.170	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1	409016602	QNCDPZSCBQMXNX-IADOGKPESA-N	544.051	5.539	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccc(C)cc4)S(C)(=O)=O)cc3)o2)cc1	409025799	WXUOKNBQVFATFW-ZCTHSVRISA-N	559.644	5.162	50	40	KKGB	
CCOc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409029286	YKDUPKGWOKTMAG-UHFFFAOYSA-N	573.756	6.075	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc2ccccc2c1	409029922	DCCKJVSIUNTVDI-RHKOWXKBSA-N	551.646	7.797	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2I)cc1	409031040	GJYYRGILZCPIJQ-DLCNMLRHSA-N	706.334	7.310	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	409045021	XLKZWYDAIBXFEJ-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)c1	409047793	NDGLZWANFYEBOQ-LFIBNONCSA-N	588.447	6.248	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	409059354	WRPFZNVBJXSKJD-KCSSXMTESA-N	582.509	5.914	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OS(=O)(=O)c1ccccc1	409069849	AUNMJGTVROSQEG-MHWRWJLKSA-N	581.366	5.790	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)ccc1OCc1cccc2ccccc12	409077382	FHJBVNJNCCCXNK-OKCVXOCRSA-N	565.411	5.594	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(C)cc1	409086139	FTOPCKQMQATGSE-DEOSSOPVSA-N	521.367	5.292	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	409086649	AFMNHGXAVZZFSZ-OQLLNIDSSA-N	534.244	7.141	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(F)cc4)c3C)cc2)cc1	409133455	UFFMUJUFBSZXQL-UXHLAJHPSA-N	518.614	5.131	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409138504	CUOAEEKAROBGMM-HNSNBQBZSA-N	592.117	5.890	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2cccc3ccccc23)c(Br)c1	409139732	DWDXNYALWRHYOS-RUZDIDTESA-N	501.380	5.996	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl	409141150	IWVZTBGMXCUOQV-MHZLTWQESA-N	536.072	5.700	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccccc1Cl	409142033	KWMMXNWRGFXONW-HSZRJFAPSA-N	527.802	6.004	50	40	KKGB	
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1	409193659	KKDZIIYQYIJGCA-ZRGSRPPYSA-N	511.943	6.052	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)c1C	409224806	MUTZXOUCUGOOKF-XDHOZWIPSA-N	538.829	6.283	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccc(Cl)cc3)c2)cc(OC)c1OC	409226373	VNHGWIGGQBUTSJ-NTLWSFFRSA-N	614.054	6.001	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409226801	XCWQSSYDXZERPL-LQNQUEJISA-N	587.386	5.593	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1	409248650	HRDYEAPTJXXWPG-FXMZOFOKSA-N	500.184	6.711	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409261562	DQMBXWKAXIICPR-WKIKZPBSSA-N	530.806	5.201	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1C	409261638	CGWREVYUTBJTNU-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1	409262608	JCCRSWZPAVTDHY-KMUKQRDJSA-N	586.088	6.716	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1	409264310	OSXHGQXAIBSSHH-NDENLUEZSA-N	519.985	5.537	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1OC	409318422	VOOPZFUDKJGRDH-PPDIBHTLSA-N	582.676	6.225	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1OC	409319995	OJTUUSBJRLBLAK-AAPHRLRXSA-N	673.236	7.268	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)ccc1OC	409322014	INOJDIVTJDDDCY-MNDYBZJGSA-N	604.885	5.690	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OCc1cccc2ccccc12	409343710	HWLRDCPQPFHBKV-IBBHUPRXSA-N	536.401	5.891	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409391989	MKPHRGRFWNHEMM-VWJSQJICSA-N	501.417	6.712	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)[nH]c12	409394861	GVHBKMBBIMVZQO-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397012	DZPUCZZVLTXUIR-UHFFFAOYSA-N	545.954	6.602	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409398205	RRVMEWVIZQQCEG-UHFFFAOYSA-N	581.934	7.092	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1ccc(Br)cc1Br	409405311	STOCKSXSGAJPDW-FFKGLWRNSA-N	761.511	9.261	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409405766	VCMWACRJOJAKSF-XVIDZLOXSA-N	671.488	5.584	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(-c2ccccc2)cc1	1822130	IQZJGUCGBLKHGY-STBIYBPSSA-N	526.712	6.893	50	40	KKGB	
O=C1Nc2c(Br)cc(Br)cc2/C1=N\NC(=O)c1sc2ccccc2c1Cl	2292295	STWJEOUMLMFOHE-UHFFFAOYSA-N	513.598	5.166	50	40	KKGB	
O=C(N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)/C(=C\c1cccs1)NC(=O)c1ccccc1	3115229	MTFZFOYKCHZBEG-HUMORHPISA-N	557.544	5.278	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2c(Cl)c2ccccc12)c1ccc(COc2ccccc2-c2ccccc2)cc1	3265983	ZFGAIQSNEGQNRU-SEBMTOOBSA-N	541.050	8.656	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1	3663502	HAFCBMLMNYJCNJ-NRFANRHFSA-N	506.355	6.953	50	40	KKGB	
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(/C=C\c1ccc([N+](=O)[O-])cc1)=N/NC(=O)c1ccncc1	5810482	BLTDODXXLCRXRD-YKQGTWJBSA-N	611.687	7.122	50	40	KKGB	
O=C(N[C@H](O)C(Cl)(Cl)Cl)O[C@@H](c1ccc(Cl)cc1Cl)P(=O)(OCCCl)OCCCl	8386632	FXXZPJHMJNRCPS-VXGBXAGGSA-N	572.420	6.111	50	40	KKGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1	8399086	IGHPWJLWHBSUOT-QUFIRZMCSA-N	619.589	6.357	50	40	KKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1cccc(OC(=O)c2ccccc2)c1	8410330	KEHZOLURVSITRD-NRFANRHFSA-N	503.345	5.821	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	12250358	ZTRGBOOXXBCINJ-HHHXNRCGSA-N	512.635	5.911	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccc(Cl)cc1	19849271	MORYDXVZUFSLKS-QRQIAZFYSA-N	510.450	6.182	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Cl)cc1	59336193	XXBSXNUYYHAHGV-MFOYZWKCSA-N	506.216	7.733	50	40	KKGB	
CCCCCCCCCCCCOC12OOC(OCCCCCCCCCCCC)(c3cc(C(=O)OC)c(C(=O)OC)cc31)c1cc(C(=O)OC)c(C(=O)OC)cc12	95100192	BNBAABHGXCVXTP-UHFFFAOYSA-N	811.022	10.385	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(Cl)c(Cl)c3)n2-c2ccc(OC)cc2)cc1	97969120	QNXLOOOOOLJHKR-MUFRIFMGSA-N	556.475	5.891	50	40	KKGB	
CCCCc1ccc(NC(=O)C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1	98001468	SNBHLCCETPFLEC-HRCDEYDQSA-N	675.583	6.083	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccccc1F)c1ccccc12	98008179	WFTZPYHOEHJFIR-UUWRZZSWSA-N	558.588	6.471	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	98048599	FXPQKMYPMMMFBX-VWLOTQADSA-N	533.053	6.256	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc(Br)c1O	100852204	HGEUWZGSWXRCTM-WCMJOSRZSA-N	608.562	6.259	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1cccc(Br)c1	100858513	WRKKOFOWCAEEQC-OGLMXYFKSA-N	521.440	5.089	50	40	KKGB	
N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1	100931867	OYSIIEINLHQDSD-SSZFMOIBSA-N	533.616	5.150	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	101305004	KBYFVYAXAYINPZ-VWLOTQADSA-N	548.039	6.247	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528601	QIHCTJGBWSNCTL-SFHVURJKSA-N	598.416	10.520	50	40	KKGB	
COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	103889750	YOQKOKBQCWVCAO-YHYXMXQVSA-N	598.993	5.757	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	103897505	WMZBVGMPYHVREN-AMVVHIIESA-N	597.307	6.906	50	40	KKGB	
COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)c1	150504325	GMDOMWJWMGPQEV-ZMGVVAQMSA-N	629.522	5.383	50	40	KKGB	
Cc1ccc(S[C@@H]2O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)cc1	255972851	FVWMHGKJMGETAM-KJWQXZETSA-N	575.081	7.324	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408543752	SUQYQZNGKDLBCE-IUXPMGMMSA-N	590.655	6.688	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)c1nc2ccccc2o1	408550824	HLQIQTNVTXBGQZ-VGOFMYFVSA-N	622.100	7.741	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1c(Cl)cccc1Cl	408603853	HHMSEGXYAGRTGS-MRXNPFEDSA-N	500.382	5.077	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408615843	SXTRYQQDWZETMP-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)cc1	408639824	GDSWRRPBPZSMSC-POTDNYQPSA-N	752.865	5.578	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408650685	MRBAFUJEDQQOGF-ZUPNALGNSA-N	622.741	5.055	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)ccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408651966	CSYUGWUGINQCFP-RWGTWGNKSA-N	666.366	5.389	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1	408659720	PEANUTJZJYEOGU-LRTBUGQYSA-N	679.383	7.475	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1ccc(Cl)cc1Cl	408682152	JZPDZEYZILJOII-BDYUSTAISA-N	597.292	7.790	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	408718289	QSDDOTFCGMKJSI-MUFRIFMGSA-N	552.425	5.425	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(C)cc2)cc1OC	408727180	OZKSZVKRTGLWIM-HNSNBQBZSA-N	608.116	5.590	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408732206	PJQDUQXQGBBWET-ICUTVXMZSA-N	587.035	8.397	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408746568	FHEMZXCHRZFSJY-YVLHZVERSA-N	576.672	6.998	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)NCc1ccccc1	408746585	FMKXLCSYOREFQD-CFRMEGHHSA-N	576.288	7.167	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	408754789	RSHIULCVQVMOET-XYGFXTTESA-N	522.454	5.405	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OCc1cccc2ccccc12	408755302	JKCYIRRFJJMNLK-LPYMAVHISA-N	700.314	7.572	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2cccc(Cl)c2)cc1	408779314	UZEPKPWGZFVSDU-ZCTHSVRISA-N	562.047	5.213	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)c1	408785860	IRPDHKHKJDUHAN-DICXZTSXSA-N	505.662	7.116	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408789695	RERFIOCYYBNEGE-LICLKQGHSA-N	559.747	5.977	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1cccc2ccccc12	408793839	QGQAVMITNCCGQN-HYARGMPZSA-N	590.417	6.673	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408798721	WTCNPDMGNXIZQD-QGMBQPNBSA-N	629.208	5.958	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408814645	RUEMFSXHVMDWLP-HYARGMPZSA-N	604.444	6.982	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408826116	SUKOBOWSPIAIQE-VFCFBJKWSA-N	545.038	8.197	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc(F)cc1	408834133	VDCOWAPONFIBOW-OEAKJJBVSA-N	668.890	7.796	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839769	WHAAFHKUTALCGO-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccccc1Cl	408856825	LPFBJPLXONZKPQ-HNSNBQBZSA-N	593.905	6.466	50	40	KKGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	408857748	MEHMDIQTCGPZLZ-GUNDNOKVSA-N	529.818	5.862	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccccc1	408866878	IZKUVZJKHQJRFC-UZWMFBFFSA-N	542.705	5.619	50	40	KKGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	408870733	WPAUGCBNMCHMBE-OKCVXOCRSA-N	592.501	5.060	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1Cl	408882170	NSZHKRDNZVAKIM-KVSWJAHQSA-N	512.220	7.042	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2cc(C)cc(C)c2)c1	408893737	HCOYBZNBEOUUAM-MTDXEUNCSA-N	518.613	7.016	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408895588	NJRAKIPJVRHQMU-MZJWZYIUSA-N	576.241	5.602	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2Cl)cc1	408897135	WABXPXADKRUKGP-CXUHLZMHSA-N	613.260	6.220	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1cccc(F)c1	408904248	HBOYGVWNZAIHAO-QDTIIGTASA-N	556.344	5.984	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1ccc(I)cc1	408921253	ABZLTCCBHYYRNB-SGWCAAJKSA-N	698.520	8.333	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408921929	LSSAHRJZICTVND-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408969001	FNMUCSNWHRKXFM-QWYYUHGGSA-N	613.545	6.642	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408971194	DFRPRVYUUPILIN-KGRWVYASSA-N	738.293	8.287	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(OC)cc1	409002740	POLZJLQODGLLLN-FMFFXOCNSA-N	567.598	5.338	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	409019792	XFYZYHMLKUORIP-RJEICEEESA-N	519.617	5.082	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409027995	XFNOAEUXUFZENA-RWPZCVJISA-N	534.465	5.374	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409029499	AJUWGQPTGHGCGQ-RHANQZHGSA-N	514.379	5.449	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409041172	IWCHWLMIWJBXQM-LZYBPNLTSA-N	513.293	5.934	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1cccc2ccccc12	409041498	VZAYUUIAZXCNFS-BBUXEPKYSA-N	633.173	9.102	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)c1nc2ccccc2[nH]1	409058773	SXTOOKAVLFLBFU-CXUHLZMHSA-N	527.191	6.870	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409083931	LVXMALDILWUKKK-OQLLNIDSSA-N	547.873	6.709	50	40	KKGB	
COCc1cc(C)n(CC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c(=O)c1C#N	409090290	MCSZBAPSFDPVGV-ZHSUKTGHSA-N	746.343	5.267	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c2ccccc2)cc1OC	409115374	IXCSRKDOZCLVCB-FABQOPTDSA-N	658.560	5.944	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccccc1C#N	409127523	NKORVQCSQZBAMQ-XMMPIXPASA-N	565.367	5.064	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)Nc1ccc(Br)cc1C(F)(F)F	409158213	XVSGSHSWWQPRIJ-PNQUVVCRSA-N	597.775	5.228	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1cc(Br)ccc1O	409159870	AVBVKIUOTXLBGJ-WYMPLXKRSA-N	504.178	5.260	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	409199402	CXRYLUWUHYKEOA-LUOAPIJWSA-N	558.712	7.231	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1	409200102	GOYNVBQOPIQCJZ-RPPGKUMJSA-N	533.831	5.622	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1	409217790	BRFVPJCZBWORQX-UHFFFAOYSA-N	625.273	6.348	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3cccc(C)c3)cc2)cc1	409218250	DUDKQYNCOYNWQI-CAQPMQTCSA-N	525.992	6.192	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	409224236	JGHUGDBLYRSSFW-DDCFTKGHSA-N	534.012	5.716	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc(OC)c1OC	409225976	RXKQXPJTJBFABY-WKIKZPBSSA-N	547.789	5.111	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409249486	IRBBVXWHRFPZKG-SHZQLBKISA-N	554.474	6.037	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	409256373	OLYPSOKBYCGRQQ-VHFSBPNMSA-N	636.532	7.070	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409261899	FTESEYMYRWWFQK-WSDLNYQXSA-N	503.986	5.206	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)c1	409263198	IGDIVMTXBYSHSB-QDTIIGTASA-N	516.381	5.100	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1	409272637	RDNDTHHEDILJLX-WOJGMQOQSA-N	569.253	6.083	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)c(C)c1	409272944	ULONFUQNPCJXKQ-ZDLGFXPLSA-N	617.725	7.045	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccccc3)cc2Br)c1	409273270	WSYOOFWJENQWRZ-ZMFRSBBQSA-N	545.231	5.301	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)ccc1OCc1ccccc1	409311502	GQRIMEAIFOFPED-OJYCWLPVSA-N	573.089	7.368	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)c(C)c1	409371959	KKLFMKQVECLXJX-GTWSWNCMSA-N	519.711	5.293	50	40	KKGB	
N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	409385120	HYXMTAQISCTMEY-UVHMKAGCSA-N	535.379	5.787	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c([N+](=O)[O-])cc1OCc1ccccc1	409385541	LENRZQDVUQOJOJ-DHRITJCHSA-N	506.496	5.069	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccccc1	409387077	SYCNVVJTHFONPC-LGJNPRDNSA-N	587.395	5.766	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	409393306	PYCUMBYMRQYBAS-JMIUGGIZSA-N	543.332	6.170	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409394926	HQJWCHSMVKTHFD-UHFFFAOYSA-N	611.452	7.051	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)cc1OCC	409395801	RWUZFOIBPXLFDC-UHFFFAOYSA-N	865.744	9.398	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409396487	YRWVZQLHXLSFCA-UHFFFAOYSA-N	721.358	7.089	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)OC(C)C	409400391	CRMHXOKXANACSI-NKHVPTTDSA-N	731.438	7.284	50	40	KKGB	
CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409406779	COJWGBKKWXQEMG-ICUTVXMZSA-N	562.714	7.780	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC	409406938	YEFGQNXYIDFDSI-UCMJSZAQSA-N	541.648	6.556	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C(C)=O)cc2)NC2=C1C(=O)CCC2	2312381	WYZNYCZITPUTJB-AREMUKBSSA-N	501.608	5.089	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)ccc1OS(=O)(=O)c1cc(C)ccc1C	3289174	WJTPUULPEIPFEB-ZCTHSVRISA-N	544.629	5.276	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1	33353493	QONNKMSDZKCNLO-DPNNOFEESA-N	606.169	6.302	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Cl)cc1Cl	33656391	ODFNCKAKMQSZNT-CCVNUDIWSA-N	500.382	5.693	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)cc1	58914991	XIOZJLIXRBIZQJ-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
Cc1nnc(SCC(=O)N/N=C/c2cc(Cl)c(OCCOc3ccc(Br)cc3)c(Cl)c2)s1	59222106	ZZZMPDLGDYNRFI-YSURURNPSA-N	576.325	5.616	50	40	KKGB	
O=C(CCCCC(=O)NNC(=S)Nc1cc(Cl)cc(Cl)c1)NNC(=S)Nc1cc(Cl)cc(Cl)c1	97948583	LHESHHQNMALNCO-UHFFFAOYSA-N	582.366	5.196	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)cc(OC)c1OC	97961072	ALIVPPZHHGXPDK-RPMBXOEOSA-N	798.460	6.583	50	40	KKGB	
COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C(F)(F)F)c2)cc1	97965797	BFFVCRGYAGBUPF-YBFXNURJSA-N	528.552	6.802	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)N1	97999903	MUNXQRYVRANVCJ-XIFFEERXSA-N	622.146	7.944	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C(C(=O)CCC2)[C@H]1c1cccnc1	98006256	AFFNXORPFDROCN-FQEVSTJZSA-N	540.596	5.549	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@H]1c1cccc(C(F)(F)F)c1	98008081	UAKYCIZZXJONAD-QHCPKHFHSA-N	539.355	6.668	50	40	KKGB	
C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1	98043778	WDHISYSQEJEPFX-BSAWEUQCSA-N	605.562	6.049	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	98045849	KOKSRURVIQSYML-KPGMTVGESA-N	625.980	6.314	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccccc2Cl)cc1	98048452	ZDZBEKKUHRDQDB-HSZRJFAPSA-N	522.457	6.792	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(=O)OCc3ccccc3)=C(C)N2)cc1	98048728	GTNQHROCAVSRBD-NDEPHWFRSA-N	545.060	6.404	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048752	OJCDDXQUKVEDJU-MUUNZHRXSA-N	575.090	6.069	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3C)o2)Cc2ccc(Cl)cc2Cl)cc1	100139416	NAVXWNCAZVUHSJ-ZMGVVAQMSA-N	613.523	5.683	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc(I)c1OCc1ccccc1Cl	100231673	YNXICOCVPAIGGY-XMIFRPOXSA-N	566.867	6.199	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N/N=C\c1ccccc1Cl	100402115	UEVVBIKPGHGFLK-OHUYPAJKSA-N	526.423	7.405	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	100955908	REJPBAPOKBVCRE-XSFVSMFZSA-N	551.362	7.746	50	40	KKGB	
CCO/C(=C\C=C\C(=[N+]=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(OC)cc1	102313369	QODGRWQNLKCVSK-UEQMVGBWSA-N	568.677	7.363	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	102552645	YCCMXQKKKKEGJN-UWXVCKHVSA-N	536.679	7.084	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC(=O)c2ccccc2NS(=O)(=O)c2ccc(OCC)cc2)cc1	102869271	MDHVCUKNMLLEFL-UHFFFAOYSA-N	624.693	5.083	50	40	KKGB	
FC(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528958	RYTBIZDZNWFDDX-REOHCLBHSA-N	592.002	7.117	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	103885956	XYXJDWGJIFESDJ-NSIKDUERSA-N	531.177	5.181	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	103890238	HKQIOHGQKLCGNM-JCMHNJIXSA-N	534.418	7.665	50	40	KKGB	
Fc1cc(N(CCCl)CCCl)ccc1/C=N\CCC/N=C\c1ccc(N(CCCl)CCCl)cc1F	104091300	NUQWRRWRWHJVBD-VRONRDDVSA-N	566.351	6.461	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	105627035	QKZJFDAXWUZQOY-FDVSRXAVSA-N	528.392	5.724	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(C)cc2)cc1Br	150462948	YKFDMDOEBQTUTI-MHDJOFBISA-N	678.436	6.826	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795321	RJZVSTZWRRNYFZ-DTORHVGOSA-N	616.059	7.720	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)Br)CC[C@]4(C)[C@@H]3CC[C@@]21C	253531090	HQCIIKWOMRRRPN-SJPKRYOXSA-N	521.624	8.723	50	40	KKGB	biogenic
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408527971	GXPZSBGOZYDXME-QFDQHJFZSA-N	575.212	6.916	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538981	SJTATZIFFUXSAX-VEILYXNESA-N	592.648	6.584	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Br	408540294	PRRVFAORPHLAFB-CPNJWEJPSA-N	536.264	7.923	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408544130	UYGALXJUNFEIRW-ZDLGFXPLSA-N	542.304	5.253	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)c1	408642180	DSCFIGAFIAZRIW-SALHHSCVSA-N	744.820	5.586	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408710662	DDLNJACCDWGDFB-RPPGKUMJSA-N	640.228	5.322	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1	408711846	NHVGMHKMOVUNPW-FOKLQQMPSA-N	522.730	5.024	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)o1	408726421	SSCBGSUAJVXCPI-FOKLQQMPSA-N	586.167	5.140	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC)c(I)c2)cc1	408743989	IYLZVDDTYKIUOQ-ZROIWOOFSA-N	541.183	5.397	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)cc1	408745617	UIAIGVKJPRCBTM-BWAHOGKJSA-N	526.036	7.271	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408758994	WCIYSWPENYAAQN-NVMNQCDNSA-N	586.236	6.043	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408787453	AIOZSFGRIUXHCL-VXLYETTFSA-N	651.284	6.908	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408797867	UDADPAZKGVCWEN-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Br)c2)cc1Cl	408800118	KRHXMNAYWXFMOO-LPYMAVHISA-N	545.864	7.997	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2ccc(Cl)cc2Cl)c1	408802846	IDRUJCHUHYGAEG-BUVRLJJBSA-N	559.449	7.706	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(F)c1	408812124	NTLQGHLBMPKQQC-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c1	408835052	XWCRPOVZGNPYDH-NLRVBDNBSA-N	509.005	7.352	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCC	408836664	UDBMDRBUDIBEJU-DEDYPNTBSA-N	602.856	6.867	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408838426	FGYFYOKOJFFPNT-VTNSRFBWSA-N	599.024	6.698	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1	408845830	RXLXRPUUPJKOLX-FFXZQHEYSA-N	703.014	8.351	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(Br)cc1OCc1ccccc1Cl	408850351	LXOPBSFAHIGRFP-YDZHTSKRSA-N	561.863	7.779	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	408862354	ITYHJXFJTMYYPV-XZYGTATASA-N	709.619	5.658	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1Cc1ccccc1Br	408869906	STLTURDPUGEHJK-CIAFOILYSA-N	615.309	7.206	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408873027	LXSZXMJCOIQPBF-FDAWAROLSA-N	609.546	5.519	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408878570	AOTZFIVISWPASU-XIEYBQDHSA-N	539.429	7.153	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1cc(C)cc(C)c1	408881266	KMVUZMKPLQQMEN-SRZZPIQSSA-N	586.857	7.085	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1Cc1ccccc1F	408885240	YCRQGAVGROPACY-RGVLZGJSSA-N	540.376	6.192	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccc(Cl)cc1Cl	408888734	ZTWLPEDFULGNBA-RQZCQDPDSA-N	625.144	7.960	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c([N+](=O)[O-])c1	408889281	BKLBXXCSXYZIAU-MHWRWJLKSA-N	512.305	5.675	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1OCc1ccc(Br)cc1	408922084	DCFKFHAQAGJSLI-SFQUDFHCSA-N	532.221	6.889	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c(OC)c1	408923714	KRIDDCGOJYMOFK-JRAMAACCSA-N	811.457	6.304	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1C	408924293	MPQOJNGBQQRSFW-CCVNUDIWSA-N	526.083	6.478	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c(OC)c1	408925983	VVVDPQKCWHOJJQ-XGIBKPIRSA-N	669.738	6.150	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccccc2F)c2ccccc12	408940193	BZAFFOQGMKSBHD-HKBQPEDESA-N	613.715	5.022	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)c(OC)c1	408952343	KCGVEFDZIIXIPN-MOEPSENCSA-N	777.410	5.361	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408962704	JLJDGHYNSNHUJB-KPGMTVGESA-N	526.511	5.874	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408966724	QDQQJQRKFRLTRB-RPPGKUMJSA-N	512.291	5.586	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408968777	ZAZFHUSJWSSHMS-PNQUVVCRSA-N	612.226	6.350	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)c(F)c1	408968876	ZVPNHFJCMPNBCS-IPBVOBEMSA-N	568.173	5.952	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969766	UFBYCZGVPVGGSO-CBESOTNSSA-N	637.358	5.808	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccc(Cl)cc1	408970587	IVRULWNYWFWHNH-MWVBGNBESA-N	566.098	5.686	50	40	KKGB	
CC(C)Oc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1	408971480	GGNZPCVPQATRMY-RUVDFQCNSA-N	542.463	5.426	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)c1ccccc1	408978612	JJPHHHUJEVDAAU-PVPASAESSA-N	511.420	5.184	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1Cl	408982450	DPQBYFMAKIZJJV-NLRVBDNBSA-N	592.924	9.081	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408986166	ZWJDSWDDWBPXEC-LSCVHKIXSA-N	641.720	8.083	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408992000	PTGCXUSSPCYWMY-LWENQOMLSA-N	684.583	6.871	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409000663	FJINRFPDBCIGNW-UXHLAJHPSA-N	522.517	5.139	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409004736	BQYJDVRXHJNNDL-MWLSYYOVSA-N	589.736	7.343	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCC(=O)Nc1ccccc1	409010864	FTSZKSUWAFXYTD-VVEOGCPPSA-N	741.174	6.743	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccco2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409019136	YFFUWQNJHJQGRX-CAQPMQTCSA-N	527.621	5.537	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	409019306	WIGBHNZHCQXKSI-MZOMQGRDSA-N	600.499	5.995	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1	409024975	JGYWIZOYJSDVEE-UZWMFBFFSA-N	542.705	5.619	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCc1ccccc1Cl	409072538	VVUMRMFNLOJCDD-HZHRSRAPSA-N	516.981	5.988	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C\c2ccc(Sc3nc(-c4ccccc4)cc(-c4ccccc4)n3)c([N+](=O)[O-])c2)cc1C	409114205	DOMUVAQLJWILLM-OJYCWLPVSA-N	588.693	7.049	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc2)cc1OC	409121946	ZHSKQYZIYIAOQH-FDAWAROLSA-N	625.545	5.219	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccccc2)C2=C1CC(C)(C)CC2=O	409136588	RWALSLULPFUEMF-VWLOTQADSA-N	536.470	5.411	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1	409150377	BMWKXAIIDHRDEL-AMVVHIIESA-N	601.885	5.088	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)c3ccccc3F)C(C)C)o2)c(Br)c1	409153576	IHHPFSHCGBWZND-IQFHQVDXSA-N	500.368	5.061	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3C)c(OC)c2)cc1	409158885	ZJHUJLULYLQJPE-IBBHUPRXSA-N	629.895	5.091	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc([N+](=O)[O-])cc1	409187869	VHNVIXQLNFWIFG-WYMPLXKRSA-N	533.176	5.463	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409219871	RDGQVJSAPAXCFK-UHFFFAOYSA-N	576.359	5.006	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1C#N	409251414	QDSCDRYZNFEXEA-NVIPHDJISA-N	516.395	5.693	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409257782	SFRKXEWSBMFAHR-WSDLNYQXSA-N	562.464	6.255	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409259831	GFTGVZAFAMFSLC-MUXKCCDJSA-N	560.832	5.291	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)cc1	409264581	LBMVXCCLHYWTAL-BKUYFWCQSA-N	562.420	5.416	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1)Nc1ccccc1	409271201	KJQXUNCKTYWXMF-DPNNOFEESA-N	582.085	6.989	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccc(F)cc1	409321049	DHNMICONXTUZRR-MUXKCCDJSA-N	578.378	5.189	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409388032	SUVKFFLVNASFCQ-UVHMKAGCSA-N	502.796	5.252	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)c1	409394452	APBXOOBDNHFCFP-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)cc(OC)c1OC	409395832	SFKCPVWGCXPGBB-UHFFFAOYSA-N	642.506	6.915	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396166	DHVBYAFZZBMDFY-UHFFFAOYSA-N	606.000	7.889	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409397137	GQWZAYIWNQBXOY-UHFFFAOYSA-N	517.541	5.855	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397896	PGFFIXAWYJEZCZ-UHFFFAOYSA-N	598.999	6.397	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)[nH]c12	409398416	SWVBEYUDYXSVCC-UHFFFAOYSA-N	552.030	7.042	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409399335	ZQHMTBNLLALLNM-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4Cl)c4ccccc34)o2)cc1	409404536	QEDRBNSQQPEGNQ-CLHYIUPASA-N	591.111	7.995	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409405908	VGJQMUKEXIZWNU-AELQKBHRSA-N	673.358	6.495	50	40	KKGB	
Cc1cc(C)c(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)c(C)c1	409406731	CHDXKDCHCZHERO-KMUKQRDJSA-N	548.687	7.363	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1790137	LZSUDMPUMVBSTN-UOFJPCGLSA-N	515.639	5.741	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	1888304	OHXIRQRKXZMVKX-YMGIJWJESA-N	563.433	5.731	50	40	KKGB	
Cn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1cccc(Br)c1	2312751	OINRKIDNSXGRQK-CVKSISIWSA-N	522.428	5.279	50	40	KKGB	
Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccccc2)C1=O	2331834	RAZDODOUPLDNHQ-RKZIHRPTSA-N	508.430	6.367	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2Br)c1	2807433	MEXOGDNNHYUHMV-KKMKTNMSSA-N	589.309	6.483	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(I)ccc2O)cc1	3034705	FRTBPMVOPIUTMD-DHRITJCHSA-N	508.400	5.240	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	3113409	XCDCJAUILSJVDJ-UZWMFBFFSA-N	573.443	5.453	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1OS(=O)(=O)c1ccccc1	3991856	RBTBXDPAYZEFGF-FCDQGJHFSA-N	603.678	5.118	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(C)cc3)cc2)sc2c1CC[C@H](C)C2	6167505	OIRZFEVIMQKAAJ-SZRFWULCSA-N	547.677	5.528	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)c1	19948052	MPNROGADTCDZCG-AJBULDERSA-N	507.615	5.647	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C(C)C)cc3)n2-c2ccccc2)cc1OC	31892860	ITQBIXJISVTGSU-RHANQZHGSA-N	515.639	5.317	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Br)cc1	59282299	TYLBOJSUHRDEBD-PXLXIMEGSA-N	513.391	6.736	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1C#N	97960972	ORGMMWVKHSGHDO-DBFSUHOCSA-N	538.785	6.072	50	40	KKGB	
O=S(=O)(/N=C1\C(Br)=C(Br)/C(=N\S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Br)[C@@H]1Br)c1ccc(Cl)cc1	97983313	UVNNXZBWWIJGNO-GBJZBIIGSA-N	772.944	6.495	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	98048542	JVCFMIYYSJMQCN-VWLOTQADSA-N	576.103	6.558	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)[C@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)c1C	100097880	BWIPWNRVJASVKW-OASJLCFRSA-N	606.091	6.562	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1Cl	100118969	QHFIUAGUSCOJFE-FQAMYZABSA-N	543.092	6.286	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2)S(C)(=O)=O)cc1C	100119909	KAHZVMQEPHRCBZ-KCSSXMTESA-N	563.123	6.094	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1sc2c(c1C#N)CCCC2	100121698	LRCYPAKAJMMOHK-VVEOGCPPSA-N	529.544	5.526	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c(Cl)c1	100133823	HSEMAMZLBQOODM-FNTLCPBMSA-N	614.105	8.544	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	100839657	FEDGIWXWTZSESX-OGLMXYFKSA-N	568.654	8.139	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)[C@@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1	100848531	XQMPEJJIHNHPOZ-GDIGMMSISA-N	552.101	5.488	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1	101273246	AFNRAIZEDABCPH-DEOSSOPVSA-N	528.461	6.099	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)OCC)=C(c3ccccc3)N2)cc1	101305334	LNNHPKRYQUGJTR-HHHXNRCGSA-N	541.673	6.390	50	40	KKGB	
CCN(CC)C(=O)C(/N=C(/c1ccccc1)N(CC)CC)=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102311164	JCMJZKNHBHTNBO-QONVCLETSA-N	638.816	8.006	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cc(C)cc(C)c2)N1	102810295	YYCXEMPVACPSFG-LJAQVGFWSA-N	557.119	6.972	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(-n2ccnc2)cc1	102979960	IXDFOTGEYZMUBF-JWHWKPFMSA-N	598.128	6.071	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	103901629	YTZSGOVZKCVJPF-IURWMYGYSA-N	598.068	5.507	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OCc1cccc2ccccc12	110050529	MJMSWKCZIHKWNV-CFRMEGHHSA-N	542.376	6.968	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341896	FDSYWUZWIVEGNE-FQEVSTJZSA-N	726.484	12.571	50	40	KKGB	
O=C(CCCC(=O)N/N=C/c1cc(Br)cc(Br)c1)N/N=C\c1cc(Br)cc(Br)c1	150375571	NWXONASPZVESSY-KDWDADFLSA-N	651.979	5.507	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1	150376977	MBBMXQWZONGMCI-FZKWRIDDSA-N	640.593	5.743	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(I)cc1	164745595	NBIMTPBFJBXWAA-YVLHZVERSA-N	719.144	7.726	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCC[C@H](I)CC(F)(F)C(F)(F)F	169795338	OCIOQKDLJBVUKV-UWVGGRQHSA-N	630.086	8.110	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)cc1	408529180	INQCNFCXWQPRGP-JJKQSNDFSA-N	631.820	6.503	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408540966	ADCPIVGZFYFESK-OCKHKDLRSA-N	594.232	7.338	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550809	JZZDLDXFAJMADU-WOJGMQOQSA-N	599.881	6.881	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408551905	GWQSYENUQAWVBQ-GZTJUZNOSA-N	544.822	6.609	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OC(C)C	408552957	MAJWSWFYIXFGJA-OVCLIPMQSA-N	547.418	5.445	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccccc1C#N	408554351	RVFLEAVPMAJDFZ-KEBDBYFISA-N	573.472	6.266	50	40	KKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c3ccccc32)cc1	408568511	KAJXOWNGZOSJRN-MUFRIFMGSA-N	501.677	6.006	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1OC	408578611	ACNQTTVAIOHKPP-GIJQJNRQSA-N	563.673	7.525	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC	408583435	UPSDJPYCAVNUCI-YBFXNURJSA-N	570.383	5.399	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408639562	FYJVLEJSESFHBC-TVFCKZIOSA-N	662.118	5.064	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408671244	KGAHRVLMSVZFPH-BDYUSTAISA-N	642.289	7.698	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408748491	AXPGFPMRFCFOCE-OJYCWLPVSA-N	738.363	7.014	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408749496	POWQXOWCYDVUBK-MZJWZYIUSA-N	673.323	5.301	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408751592	AETFIELAQILJDW-UDWIEESQSA-N	608.426	5.832	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408753126	LOFVMCORQNVHEG-UUASQNMZSA-N	615.536	8.296	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1	408756644	RTYNDXMWELWRCI-QUCVJYLXSA-N	576.502	5.364	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(Br)c2)c1	408780700	INKNNLLAZZYBDL-NDENLUEZSA-N	509.375	6.500	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1	408797725	SNSLAWKJQRZKNM-VCHYOVAHSA-N	638.218	6.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OC(C)C	408806012	DSMCSPFUQPFTJB-OQLLNIDSSA-N	510.759	5.676	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408830247	OZZQZROQDNWCOG-VFCFBJKWSA-N	559.065	8.505	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408830561	NTDAXCNQIYLIID-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408830878	TYDQBGYEVNENDC-MOHJPFBDSA-N	541.629	5.533	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408839435	SDVYLSJEOWVPCX-FJEPWZHXSA-N	718.358	6.847	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408841242	DRWXOWAUVUOQTQ-KBKYJPHKSA-N	573.812	5.947	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(I)cc2)c(Cl)c1	408842688	POCRBPHEBLPZDC-JJKQSNDFSA-N	670.882	7.435	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(I)cc2)c(I)c1	408843134	QLTJJMCTOWIYJO-JJKQSNDFSA-N	762.333	7.387	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)NC1CCCCC1	408847387	USDVLUKDNKHZEB-XLNRJJMWSA-N	538.069	5.680	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408848140	QBPLWBVHFBCLFQ-KPGMTVGESA-N	520.460	7.361	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccccc1F	408849340	XXQSOSXWDWKRQI-QNVXDBMFSA-N	665.972	8.460	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1C#N	408858616	QVLUTPPOISYPMN-MUXKCCDJSA-N	551.340	5.261	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(C(C)C)cc2)cc1	408874637	CWWQZXHSWNOPMQ-FABQOPTDSA-N	611.595	7.178	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3Br)c(OC)c2)cc1	408883087	TXHCGJXVBZNEAY-UDWIEESQSA-N	553.840	6.424	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1	408887820	RJJKOMXBNYZFPG-DEDYPNTBSA-N	525.424	5.688	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccc(C)cc1	408887909	SBMUDTGIPQASNL-YBFXNURJSA-N	521.367	5.589	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1OS(=O)(=O)c1ccccc1	408888867	CBFYEJXVGBDOIY-XNTDXEJSSA-N	548.360	5.224	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1	408890137	OLLUEYFWQMFDJV-LQKURTRISA-N	503.352	5.594	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OS(=O)(=O)c1ccc(C)cc1	408892163	GSMGEHDEXUZQJK-GHRIWEEISA-N	517.390	5.624	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408921077	CPFRGVOEBPSIRV-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(CC)CC)cc1OCc1ccc(Cl)cc1	408941485	DSGSPBXRDZZFFU-JGCGQSQUSA-N	664.228	5.650	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Br)cc1	408947981	OKCSYQBNXDTNGT-JGCGQSQUSA-N	721.674	6.040	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969235	JWCMYVXGPFTMTE-UBBMEKCPSA-N	742.394	5.194	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC	408970204	CONAZKMNICIWHC-LGGANVPRSA-N	650.341	5.454	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccc(Cl)cc1	408970588	IVRULWNYWFWHNH-NIVXUIPCSA-N	566.098	5.686	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3C)c2C)c2ccccc2)cc1	408981975	WXZFWGFBWLSOPL-XIOXGIFKSA-N	542.705	5.579	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1Cl	408986103	ZOFZWBZWSDAEIJ-UWVJOHFNSA-N	632.683	7.012	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409022386	MOZMAQYKMZLOSO-CNCDYAKUSA-N	557.861	7.863	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1C	409029530	BIYHCDOCWHYEDM-MNBJERMJSA-N	503.562	6.290	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccc(Cl)cc4Cl)(c4ccccc43)[C@@H]2C1=O	409033553	LZGYMZKHPMYFKS-UDPYEHJDSA-N	614.916	6.922	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409047890	NPBTWNWELCPPIN-STBIYBPSSA-N	503.396	5.883	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1	409074821	SBGLGDZKMGIAPK-LFIBNONCSA-N	640.737	6.577	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Cl)cc1Cl	409119149	RNNOHCDTWPKRAY-HSZRJFAPSA-N	576.230	6.290	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccccc1Cl	409129185	FYSQNBOWJYUZJQ-HSZRJFAPSA-N	574.802	5.846	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)c(Br)cc1OCc1ccc(C(=O)O)cc1	409138051	ZHDTURZNKGIIIP-MHZLTWQESA-N	624.532	5.508	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1	409190432	NCCQLUDKGCVXKV-VULFUBBASA-N	551.972	5.350	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(I)cc1	409200605	IWJHSMOPTQGSQD-OKCVXOCRSA-N	620.940	6.893	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1cccc(F)c1	409216394	HUDYNEJXFVMSOZ-KKMKTNMSSA-N	584.838	5.914	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1ccccc1O	409217578	DHUKRGCYTVCHDM-YJJOPYADSA-N	563.613	5.512	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccco2)c1	409221784	ALTWWHNMNHVGST-UURHUBHQSA-N	671.729	7.093	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)ccc1OC(C)=O	409222196	AZDSAALRHXJGHF-WKIKZPBSSA-N	545.773	5.020	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)c1C	409262478	HGKNZFPROHCJJW-RODHXAHZSA-N	733.486	8.477	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409262656	IMECNZKZBOPQQW-MUXKCCDJSA-N	607.832	5.133	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)cc1OC	409320398	DBAAHGLDSHAYMP-ZMFRSBBQSA-N	612.296	5.069	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)ccc1OC	409325037	WSZXQTFHUFLNDE-MUXKCCDJSA-N	605.283	5.400	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(C#N)cc1	409369803	YFLSKOHTNYKNJW-OCKHKDLRSA-N	528.631	7.380	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(C#N)cc1	409370634	BKKJXYQZLGLTFH-WSVATBPTSA-N	563.076	8.033	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(Cl)cc1Cl	409371210	CXGXQRAUMRZQCS-MFOYZWKCSA-N	521.213	7.937	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1	409372683	GKKOUABUSXVGER-OKCVXOCRSA-N	517.969	5.292	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)n1	409383058	UCANAJLNCZWPMY-CAOOACKPSA-N	643.650	6.189	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409384227	CIKPZDPBMGWGSY-WBIBEUCMSA-N	700.615	7.505	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409392090	KUTSNPRZYLJCBX-JAIQZWGSSA-N	509.375	6.377	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)[nH]c12	409394935	HSSTXDRNTFWIQS-UHFFFAOYSA-N	795.109	9.421	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl	409395082	JPYWMZGUWRCTFU-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409395862	SOOFRJNFCBSADB-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397427	JUBWHTBYDGBVKW-UHFFFAOYSA-N	606.000	7.807	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409398415	SWSONZJRRDORQJ-UHFFFAOYSA-N	568.427	6.589	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4)c(I)c3)o2)cc1	409400002	AVCCPAWYOZRNSF-AEUUOICLSA-N	771.393	7.818	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(F)cc1	409403408	MPZMZGUCRIGSFJ-FRKGHFGRSA-N	694.985	8.563	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2	949647	SJZQXTADPIEMBT-KOEQRZSOSA-N	506.631	5.826	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1	4196337	IWLQLWCFDNJGDJ-VCHYOVAHSA-N	533.647	7.517	50	40	KKGB	
BrCCCCCCOc1ccc2cc3ccc(OCCCCCCBr)cc3nc2c1	4264732	PSIOXLZHYIQGQE-UHFFFAOYSA-N	537.336	8.056	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1	9187368	GFQNGWSSHQJQKL-OQKWZONESA-N	516.557	6.445	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc(I)cc1	10118484	IRUUYQZJRSTUIF-LGJNPRDNSA-N	513.766	5.712	50	40	KKGB	
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	13806591	LOIFXVBWLQFXKS-PXLXIMEGSA-N	505.983	5.349	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)c(Cl)c1	97961776	AZPMTVFYZBYHJB-CGOBSMCZSA-N	525.422	5.405	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C\c1ccccc1	97966444	RIEHAINBJNUITE-WPCWDNLNSA-N	611.530	6.584	50	40	KKGB	
CCCCCCCCCCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2cccc3ccccc23)o1	100669153	AIALTFNMJBFSSS-PBBVDAKRSA-N	513.722	10.031	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc(Br)c1O	100858343	UQFSONYDZQLGIW-UYOCIXKTSA-N	559.920	5.203	50	40	KKGB	
Cc1ccc(S/C(Cl)=C(/NC(=O)c2ccc(Cl)cc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	102683135	JWHBFOKWIOCYSH-YJKCNMNRSA-O	599.543	8.530	50	40	KKGB	
CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528063	RZGNDJSEFUZPGQ-QMMMGPOBSA-N	508.153	7.254	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	103899660	RLSZHUGVWQSECV-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CI)CC[C@]4(C)[C@H]3CC[C@@]21C	123226953	UZTFVVKXFMOMLY-MSKYUDLASA-N	556.613	8.455	50	40	KKGB	
C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341146	OKNUBXRKTJDFKF-VKHMYHEASA-N	738.060	9.115	50	40	KKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C/CCCCCCCC)CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl	150382802	OTXOSURQGSBRDE-RGDAJPKTSA-N	901.091	15.500	50	40	KKGB	
O=C(O)COc1ccc(C(=O)/C(SS/C(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2\C=C(c3ccc(F)cc3)SS2)=C2\C=C(c3ccc(F)cc3)SS2)c(Cl)c1Cl	150435224	ALWDXTSKOJXXNH-PUGPZDGCSA-N	976.780	13.248	50	40	KKGB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)SC1=S)NNC(=O)c1ccc(OCc2ccccc2)cc1	150453533	OMXYIMWMYUGISP-ULDVOPSXSA-N	883.068	5.559	50	40	KKGB	
CCCCCCCCCCCCCCCCCCOC(=O)COC(=O)C(CC)(COC(=O)CBr)COC(=O)CBr	263583516	GIGCDCZSWXZYLM-UHFFFAOYSA-N	700.546	7.607	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408528695	VZKHHNIQEWOFKV-DHRITJCHSA-N	518.205	5.320	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1	408538434	MVXMMJQRYYXPJM-ONUIUJJFSA-N	583.482	7.470	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408539179	UOWFDWLVJUKSPA-YTJQMYRNSA-N	705.236	9.146	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1	408555085	VJKRYBUUASTNQY-BVMLUPFRSA-N	540.834	6.510	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl	408607117	BSQNUBBVHRKTFK-VFLNYLIXSA-N	520.800	5.001	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1ccccc1Br	408691657	KQAXZDBWZSNAGP-BRJLIKDPSA-N	504.226	5.181	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1Br	408741564	JPVAIMUJBDJTPR-MKMNVTDBSA-N	512.205	5.785	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)c1	408745245	QOLYGSUJINVAFU-QRVIBDJDSA-N	531.837	7.689	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)ccc1I	408746233	CSESNRKXOSDTMI-LUOAPIJWSA-N	617.640	6.198	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408748057	XTHJMVCGZJTNFK-KYHGBAKBSA-N	584.297	6.721	50	40	KKGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1	408757485	XYBNOZROMYLJMZ-ZIBFIRQOSA-N	534.454	5.815	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2cccc(C(F)(F)F)c2)cc1	408767765	NHBMHCFXNZNMCR-XZYGTATASA-N	575.612	6.666	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408774085	AGTINPYYLHACHH-UNOMPAQXSA-N	598.397	5.399	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2I)c1	408790311	OTBCFXKYMUTUNK-SRZZPIQSSA-N	601.282	7.104	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408792929	MMPRCCLLFOIEIR-CAOOACKPSA-N	546.794	7.078	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC	408795084	LBPJEBXGNCRRPA-CXUHLZMHSA-N	522.770	5.762	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccc(Br)cc1	408797322	CJUHTWZYAOEDFY-XDHOZWIPSA-N	511.803	6.544	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408811199	KRAUHJZJHJSXOX-WBIBEUCMSA-N	633.373	8.865	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc2ccccc2c1	408812413	ORBINPINGJTPHN-UCQKPKSFSA-N	500.957	7.156	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408821987	AVMSZAMUURJSKW-ODNPBWNPSA-N	729.664	6.220	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4c(C)ccc5ccccc45)c(Cl)c3)cc2)cc1	408823589	NWTIDJRKTHSUHU-VUTHCHCSSA-N	573.092	8.814	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4)cc3)cc2Br)cc1	408824694	JBIDWDNCEBYUKZ-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Cl)c(C(F)(F)F)c1	408831791	PITGYLDOMVZGHW-MHDJOFBISA-N	590.023	6.007	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408839828	CNPACPAQOBSYDT-IRWBXMRWSA-N	671.956	7.727	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Br)cc3)cc2)cc1	408848686	XTVACFIBDUNZLM-FDAWAROLSA-N	572.415	5.693	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2	408850623	PRTXDPOEOKQWLU-WBIBEUCMSA-N	638.518	7.295	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Br)cc1	408855910	HDYYUIQVWPBANX-LGJNPRDNSA-N	577.229	5.861	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408856544	HOIGBUNDMPKKLG-PPFNPFNJSA-N	518.661	5.347	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408860231	XATDWCOALHFGTG-LUOAPIJWSA-N	567.223	6.324	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(C)cc1	408860846	GOCJDRCLIYWNDX-FABQOPTDSA-N	671.013	6.729	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1Cc1ccccc1F	408870073	VIHMONNAUQNQSQ-BUVRLJJBSA-N	571.446	7.312	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(C(=O)O)cc1	408897997	JQYIIAMKBYKVFL-RQZCQDPDSA-N	546.204	6.579	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(C)cc1	408899138	NNAYMEFVILEULO-MUFRIFMGSA-N	503.396	6.262	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	408923779	JWHDVVQELRTPAF-OQKWZONESA-N	511.559	5.112	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OCc1ccccc1C	408924690	NQBAAORBRALERM-VXLYETTFSA-N	558.803	6.386	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924835	OTBNQOGRDQKPEI-CXUHLZMHSA-N	594.860	5.927	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Br)c1OCc1ccccc1F	408926683	XKTJSOTYVOEEFM-RQZCQDPDSA-N	597.790	7.784	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)c(OC)c1	408951296	ILAAGFDWANMMKW-OLDUKCEXSA-N	854.436	5.212	50	40	KKGB	
CC(C)COc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408971017	COHMHRIAYHBVBL-ROMSUHTQSA-N	556.490	5.673	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(OC)c(OCc2ccccc2C#N)cc1Br)c1ccccc1	408978804	KIGMKVQAXGMUQY-INOZVXBCSA-N	579.451	5.236	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1	408993672	XBTNOSCNBAMCFY-ROTPIBODSA-N	560.658	5.472	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408999426	CUEKMDXOZKMZHS-JEPNHJGPSA-N	611.651	5.655	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)cc2Br)cc1	409009331	DHKWLWLMZXQXTE-VYVUJPJFSA-N	777.001	7.366	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(F)cc1	409033136	LEFAOSSNIJZWAU-FABQOPTDSA-N	631.445	6.997	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	409033549	LZGYMZKHPMYFKS-PEWBWCDISA-N	614.916	6.922	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	409045358	GLLZTQPJPBVNNH-LGJNPRDNSA-N	519.770	5.086	50	40	KKGB	
N#Cc1ccc(COc2c(Br)cc(Cl)cc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409046482	KHVKYEUPKDNIJB-MWBNBJEGSA-N	595.884	7.532	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1Cl	409069734	VYXFMGAMWQRTRB-JJIBRWJFSA-N	517.025	6.991	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c(C)c1	409076515	BCDQBAGJFZOLOX-LZYBPNLTSA-N	527.320	6.765	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409086842	BLWXQUPQIFLQBX-XSFVSMFZSA-N	544.520	5.977	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OCC)c2)cc1	409161434	XETQTJJFXREYGX-ATZGPIRCSA-N	639.547	5.668	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1	409175141	QNCQJBBDCANOCM-WCMJOSRZSA-N	678.911	5.238	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)cc2c1	409190585	SKXWPIFKGNUNGR-YNFMAFFXSA-N	547.822	7.143	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409193302	IVIMWBNEFPUZPB-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccc(Cl)cc1Cl	409231189	IGYVHLHDVGMBBC-IPBVOBEMSA-N	645.350	6.225	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccccc1Cl	409237129	JHUMDNLHGSIRQB-CTPANLQCSA-N	572.830	6.317	50	40	KKGB	
Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2)c(C)c1	409256958	MZWBVXPFQYEMLP-VFLNYLIXSA-N	527.408	5.025	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409263233	IJUCJBVXZSQWTI-VXLYETTFSA-N	568.855	6.291	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1OCc1ccccc1	409309955	OLDCDUKDOCZWGO-OHUYPAJKSA-N	634.483	6.687	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)ccc1OC	409318285	YAZSOXPLOOBWOY-MUXKCCDJSA-N	516.381	5.182	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1OCC	409321280	SOXAKUJDRUIEDH-PKAZHMFMSA-N	517.003	5.059	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Br	409324370	TULGEOOOHZZPOK-MBTHVWNTSA-N	572.253	5.575	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2Cl)ccc1OCc1ccccc1	409328091	YWJTXBNMOYBFDA-BJUCDSOZSA-N	658.774	7.796	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1	409386253	MCBFMVDTHQLZAG-FXMZOFOKSA-N	613.665	5.551	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)[nH]c2c1	409392465	POSLFTFLRQISEX-MFOYZWKCSA-N	535.354	5.894	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)[nH]c12	409394515	BKQWLTGGWMFBHU-UHFFFAOYSA-N	774.691	9.076	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396342	MREKWVWVXRDPDC-UHFFFAOYSA-N	611.098	6.945	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409396837	BTJJOWOIXADXHG-UHFFFAOYSA-N	650.009	7.618	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)cc1OCC	409396965	DKHUYWUDYMUXPM-UHFFFAOYSA-N	616.501	7.922	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409397390	JHCSIFOLKFEODR-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)[nH]c12	409398515	UDWAQPVKCAHZBO-UHFFFAOYSA-N	582.056	7.051	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(I)cccc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409398696	VFGFQXGIXKNREX-UHFFFAOYSA-N	737.978	7.882	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OC(C)C)c([N+](=O)[O-])c3)o2)cc1	409400606	DTLVXICLBVLMBO-MWLSYYOVSA-N	516.554	5.725	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)o2)cc1	409401838	IITVMLIUFSTPFJ-AEVGBRMKSA-N	611.529	8.340	50	40	KKGB	
Cc1ccc(COc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409402719	KRRWGKABGVREOX-FZKWRIDDSA-N	578.625	6.826	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5cccc([N+](=O)[O-])c5)cc4)c3C)o2)cc1	409404721	QTEYQGBWHRIBQL-PQKVGRGHSA-N	657.727	7.925	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(Br)cc3Br)o2)cc1	409405711	UUKPYENFEYXWTN-HTVDVWKISA-N	756.835	8.696	50	40	KKGB	
CCO[Si](OCC)(OCC)[C@@H](CC)N([C@H](CC)[Si](OCC)(OCC)OCC)[C@H](CC)[Si](OCC)(OCC)OCC	409418449	AZWJUPOOZZRWNW-QKDODKLFSA-N	630.057	5.387	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	1529548202	AYKQGBVRDDYIID-ROKSKZBTSA-N	761.449	5.584	50	40	KKGB	
Cc1cc(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1CSc1ccc(Br)cc1	691800	CUGRJFOXSPRZLL-BVAGGSTKSA-N	529.507	6.952	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)c(C)c1	2310976	ZBGKIQNLBVVBSV-HKBQPEDESA-N	549.696	6.683	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2ccccc2Br)cc1	3090792	ITCMRNSBGNZFCQ-OPEKNORGSA-N	596.073	5.696	50	40	KKGB	
Cc1cccc(-[n+]2c(/C=N/c3ccc(N(CCCl)CCCl)cc3)ccc3c4ccccc4ccc32)c1	3184473	YWVDGESDBCGWLE-UHFFFAOYSA-N	513.492	7.613	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)NNC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)cc1	3186783	LVYOUGINVNHJOW-UHFFFAOYSA-N	527.437	5.495	50	40	KKGB	
O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(COc2cccc3cccnc23)cc1	3230191	CVUATVHVYPEHRA-XPGZBYHPSA-N	548.646	8.048	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C/c3c(F)c(F)c(F)c(F)c3F)c3ccccc3n2)cc(OC)c1OC	3296451	CTKNAEWMSPYKCN-MPRHAZATSA-N	531.437	5.387	50	40	KKGB	
CN1/C(=C\[C@H](I)[C@H](I)C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21	4522486	WGDGVGVLCQJFHK-HXSSMUAKSA-N	611.329	6.611	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	6445763	IZYGMLSUEPIQQQ-JCTDHXFVSA-N	525.970	6.240	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	19939737	ZJGCQQZYMRKMJM-VWLOTQADSA-N	524.086	6.366	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(Cl)c3)nc3sc4c(c3c2=O)CCCC4)cc1	32577027	JVEZJGCOSVTUSQ-MUXKCCDJSA-N	523.083	5.530	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(C)cc1	59333329	PFHFWYNIGHIXJP-ANYBSYGZSA-N	521.661	5.957	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	59856757	RSFOEQBPWYAUOT-UHFFFAOYSA-N	538.541	6.966	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccc4ccccc34)n2-c2ccc(Cl)cc2)cc1	97939504	RFUPBLAKUQEQPT-ZCTHSVRISA-N	542.064	6.382	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)ccc1OCc1ccccc1	97946768	OXWQAHXUZRWYLR-NJXRFNICSA-N	585.726	6.059	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C\c1ccc(F)cc1	97966330	SICFJJGSDYFXNZ-OLDOVDFUSA-N	629.520	6.723	50	40	KKGB	
Cc1cccc(/N=C(O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1C	97968683	MBIATHQYLLVVMT-GOHCDNDPSA-N	522.457	7.325	50	40	KKGB	
Cc1nn(CCC#N)c2c1[P@](=Nc1ccc([N+](=O)[O-])c(Br)c1)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2	97983944	HDMSDQGTDSKRGN-NPHZLXJHSA-N	654.509	7.615	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Br)c1	100120007	MJLLJRXLGVCWLB-UXHLAJHPSA-N	579.520	5.587	50	40	KKGB	
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCc4cc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)ccc4[C@H]3CC[C@@]21C	100223740	PNMCQXPTJSJVHG-RITFSESDSA-N	596.595	6.910	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C(C)C)cc2)N1	100744178	HFNFGDGXRYFNDH-MUUNZHRXSA-N	542.730	6.887	50	40	KKGB	
CC(C)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	100853806	AENWETOFSJWSMW-FDVSRXAVSA-N	524.477	6.607	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1	102872713	AXCZWNAWHCLTQI-PMERELPUSA-N	570.114	7.869	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	103883160	JNGLVWIDGUWYMV-BKUYFWCQSA-N	537.403	5.736	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	144093615	RBKVTFKDBMGBJV-IUXPMGMMSA-N	581.193	7.158	50	40	KKGB	
CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341437	IUTCBMAPOHTGEU-SNVBAGLBSA-N	836.249	11.846	50	40	KKGB	
CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341548	JAWGYCOEOKCXEO-GFCCVEGCSA-N	914.310	13.262	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341941	ZJMFRLMMURWFQM-NRFANRHFSA-N	1040.550	16.772	50	40	KKGB	
ICc1cc(CI)c(CI)cc1CI	150384969	ZSPWXJYNAKLYMP-UHFFFAOYSA-N	637.806	5.427	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc(Cl)cc1	150440557	ZXNOTCWCKHYJKH-KBKYJPHKSA-N	695.520	6.655	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)cc1	150662914	SUUCIGRWZHTDBN-PQKVGRGHSA-N	648.988	9.365	50	40	KKGB	
O=C(O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	245232059	OTHQNINSJWIIPA-DBBHOVQTSA-N	525.970	6.240	50	40	KKGB	
CC(=O)[C@@H]1[C@H](SS[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2C(C)=O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C	254645430	NHJXCPWVTGRSKZ-PYZJIXKLSA-N	695.088	9.383	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408531092	NCNUVXOBSYGFPE-RVDKCFQWSA-N	666.265	7.157	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2OC)ccc1OCc1ccccc1	408538622	ARVMGJBMKZULIJ-CVKSISIWSA-N	615.480	7.987	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408541275	YTZFPEBKSCLOSA-FZKWRIDDSA-N	603.513	7.087	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408541679	HCSNNSFZBLGEQN-ITYLOYPMSA-N	509.606	5.754	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408543639	POYHJFGDSOIULP-CFRMEGHHSA-N	526.976	6.715	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408543792	TVHZYIXVWFDSTR-IDUWFGFVSA-N	574.200	6.174	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408555887	ZKHBKMMIBAQLEU-HTVDVWKISA-N	681.001	8.304	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408567580	FSNQFNLBBVOFAH-AMVVHIIESA-N	556.540	7.004	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)cc1	408583222	SNSAYEAVSVHTBR-GZTJUZNOSA-N	549.240	6.052	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408604888	JAGLDPLVGUMIEX-INIZCTEOSA-N	534.827	5.731	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408606980	BIFOGZSTQDGLSC-XODNFHPESA-N	549.252	5.986	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408611263	QLVJQGLLNLYWFD-XKJRVUDJSA-N	510.299	5.680	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638466	COWOVWOOFIDAKB-NFYRHNLVSA-N	756.483	7.817	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408660207	WLEJXJHCMQGPKJ-VKXKWRQZSA-N	643.159	5.400	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408688406	WGGJAEOEORHEFU-YVSFHVDLSA-N	634.108	5.381	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408721082	KGIBSEANXNPTEV-KCSSXMTESA-N	626.960	6.579	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)COc3ccc(Br)cc3)c2-c2ccccc2)cc1	408739339	BEETXDPTEMTAQD-HPNXWYHWSA-N	622.519	7.280	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1	408742364	ADPYMYBRRKUBQE-UNOMPAQXSA-N	528.777	6.378	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)cc1	408744315	KILCAVCTPDIXJP-JLPGSUDCSA-N	560.481	7.924	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408744732	GWXVRCQLQKOCIE-SXGWCWSVSA-N	536.640	7.534	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)c1	408745137	KBRDCFBVAFKILB-GRSHGNNSSA-N	599.381	5.731	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)c1	408746624	UGFXYPGJDQGGLY-IWIPYMOSSA-N	560.481	7.924	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)NCc1ccccc1	408747623	QOHXDCIXOQMZOA-LSCVHKIXSA-N	642.118	7.163	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408747670	RIGQEIMRQKMNBE-KYHGBAKBSA-N	659.293	6.158	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1C	408753134	HYVJDZHBPQNRAU-JCMHNJIXSA-N	588.542	7.562	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)=O)c(Br)c2)c1	408761713	KYOHVROVSGCWFT-VGOFMYFVSA-N	508.166	5.081	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(C)cc2C)cc1	408783875	OBCMDHURSQYSFX-UHFFFAOYSA-N	511.732	6.584	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2ccc(C(C)C)cc2)cc1	408784575	VBUIIZFWZXNRTK-QNKGDIEWSA-N	569.683	5.683	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(I)cc1	408788036	ACULWGRJJDORCR-VCHYOVAHSA-N	648.251	6.485	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1O	408792965	CKAAEZQEPBMAOD-WOJGMQOQSA-N	526.330	5.130	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)c1	408794647	JWWPVTBZIKAVFM-XDHOZWIPSA-N	528.777	6.378	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1cccc(C)c1	408798640	WGIGXKVEGIRUSJ-KEBDBYFISA-N	572.830	6.695	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	408803328	NPTKJULSDITZBP-HMMYKYKNSA-N	517.810	7.380	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408809771	IZKVRBXYEGHFAB-PYNFEREMSA-N	560.673	6.252	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408826632	HVRNFRAMSRBSMK-BIZUNTBRSA-N	635.540	5.121	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408832284	QMHHJEUNAUXJPB-WGOQTCKBSA-N	631.954	8.513	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2cccc(Cl)c2C)cc1	408832301	SPFIJFABAWDYCN-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)cc2)CC1	408832377	QJEKBCPITDQCPW-PPOKSSTKSA-N	579.657	5.269	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408840453	BIMZRXJVQXPLHU-PUHLOBNQSA-N	712.365	8.114	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1F	408844441	IZGSGMONLSAJNV-NVJOKUIPSA-N	531.765	6.339	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	408853737	XFMHSGKQCXETMU-HWIUFGAZSA-N	530.584	6.704	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408855588	GQVJSXLFODZPME-OJYCWLPVSA-N	639.506	7.475	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408856998	KFIGKAAPFRCMGM-OXUBWTJQSA-N	529.207	5.935	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1OCc1ccccc1Cl	408867775	NNCNQQHMSGWSPW-VYYCAZPPSA-N	548.808	5.995	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cc(C)cc(C)c2)cc1	408868380	OFJWFPYQJXIVOJ-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408869181	RMVNGPRVMYBVHT-MUFRIFMGSA-N	551.612	5.172	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408876551	MDFLRSISFXEQSN-BIZUNTBRSA-N	622.541	5.691	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OCc1cccc2ccccc12	408882656	PYODMNBFGWWYQN-LPYMAVHISA-N	654.786	8.850	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408882779	SEIZTEBHBUPDRX-XNTDXEJSSA-N	518.334	5.215	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408884041	XPPRPMCZBJHING-GZTJUZNOSA-N	517.390	5.624	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1ccccc1	408887493	RAUIEASGCNYMIE-WOJGMQOQSA-N	536.338	5.439	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408889869	KEBHTBSRLZIIAH-HYARGMPZSA-N	531.837	7.689	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408891165	MLQXGDSDRLNYMR-WOJGMQOQSA-N	586.420	5.378	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408893039	DVEPGROJNYRGNM-OVCLIPMQSA-N	516.724	6.320	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408898595	XGTLZPAXESXTQW-WKULSOCRSA-N	629.248	6.199	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1	408904252	HCJUEDNCRMRXMA-MUXKCCDJSA-N	530.850	6.853	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1C	408923388	IEXIGJQIKDEWKK-UDWIEESQSA-N	572.830	6.776	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(Br)cc1	408966291	ZIKHTUYDBBRCEG-IBBHUPRXSA-N	547.371	6.548	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OC)c1O	408970015	YRCNQVPNSFWOTN-ASBCUXTASA-N	570.473	5.081	50	40	KKGB	
COc1ccc(COc2ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)cc2OC)cc1	408976328	ALYCJVKXHDNFSE-LMLUNKDASA-N	587.698	5.151	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	408982288	DCHDWHXLYJJCKB-QRVIBDJDSA-N	531.837	7.689	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408982394	GTPKGIWCXRIVCC-IUXPMGMMSA-N	652.670	7.048	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408988877	RWZIWGKFIDIKTQ-FRKPEAEDSA-N	629.563	8.605	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1cccc(C(=O)O)c1	409015517	NPWGUWLCCXXTAC-KVSWJAHQSA-N	649.235	5.850	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409032209	LPLHYULJDPRMHI-MUFRIFMGSA-N	517.010	5.992	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	409046012	HVNMOZHHHWCZNL-RQZCQDPDSA-N	559.170	6.671	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2ccc(F)cc2)cc1OC	409113624	DWZMHEKRDMFYNT-VTNSRFBWSA-N	643.535	5.359	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(Cl)c2)c(OCC)c1	409157607	NBRYXTUUUPVVFH-FJEPWZHXSA-N	617.884	5.006	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1	409193279	IMQCXQKVNAMMRS-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccccc1	409238569	KJMWFJKVOGYMQY-IQJJTXKVSA-N	501.413	7.510	50	40	KKGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cc2cc(Br)cc(I)c2o1	409241766	URFOZKKXXMGYQQ-DBFSUHOCSA-N	616.228	6.706	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409247052	GBARHHNPUQSIIG-UCQKPKSFSA-N	504.970	5.282	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409254467	DRZFIBIGZNMUDZ-QMRORBIVSA-N	646.556	7.651	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1	409269572	KHDZLBOHKQTXLH-VCHYOVAHSA-N	571.225	6.510	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1	409311473	GOPDCXNPOKQPLF-MOPGFXCFSA-N	556.265	5.436	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1OCc1ccccc1	409313132	HNONWVRFYZJTJX-KYHGBAKBSA-N	667.456	6.139	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)ccc1OCc1ccccc1	409323634	OSPIXXKEXSPCCX-OHUYPAJKSA-N	602.485	6.127	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCc1cccc2ccccc12	409332609	HJSGNEBPVPFTMS-DBSPGSINSA-N	595.095	7.822	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc(Br)cc1	409337682	XVVXCRNFLCTKFN-NVMNQCDNSA-N	686.081	7.000	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1Cl)Nc1ccccc1F	409374967	CJGRPIXRERHSCS-RPPGKUMJSA-N	504.743	5.023	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2Br)cc1	409387952	ZAZOUQHVKICERW-LGJNPRDNSA-N	524.396	6.223	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)c1	409394992	IMYBXIWZDXZFHE-UHFFFAOYSA-N	707.375	7.369	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409396306	XOZSQILCVGVCDS-UHFFFAOYSA-N	633.458	7.642	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396556	WPGZBBRUURTJRR-UHFFFAOYSA-N	582.056	7.187	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409398970	XFPSHCLHXHCAEC-UHFFFAOYSA-N	582.012	6.405	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409399025	XLPAUTKPQGUUBN-UHFFFAOYSA-N	552.030	7.097	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	409402734	KUKGAQQUFLNHBJ-LIZYOPNSSA-N	638.515	6.132	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)OC(C)C	409404755	QWXFKVCFUNJMKV-DLCNMLRHSA-N	652.542	6.522	50	40	KKGB	
COc1cc([C@H](N[S@](=O)C(C)(C)C)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c(P(c2ccccc2)c2ccccc2)cc1OC	1857795145	OQAYJVXDXWZFGS-QPZYLWFESA-N	673.900	8.207	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1	2553467	RIFHQJHSZDVSRH-DEDYPNTBSA-N	514.478	7.545	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)n2-c2cccc(C(F)(F)F)c2)cc1	2754394	YUOKBOMSWLXKQD-MHDJOFBISA-N	577.588	6.063	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1OCCOc1ccccc1	3300907	MZUJIAANNWPOKZ-TWKHWXDSSA-N	508.603	5.823	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC	8386685	DDXXRYOGPLVAAR-RDRPBHBLSA-N	544.073	5.182	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	14152124	GKJGBDGFDHNDNE-LDADJPATSA-N	508.430	6.930	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	16489021	KHRVNOADCOPUQD-BKUYFWCQSA-N	510.396	5.967	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C\C=C/c1ccco1	19849286	UHFDFMJLGMGXBU-JHIKYKOUSA-N	508.401	5.197	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(Cl)cc2C)cc1	20060061	AKSTYKWZXMDETC-UHFFFAOYSA-N	532.150	6.929	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccccc1Br	32576872	RXKOCCNUCROKIT-ZMFRSBBQSA-N	513.848	5.743	50	40	KKGB	
Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(F)cccc3Cl)oc2c1	38700605	VHNQYLCPQAXYTM-DEOSSOPVSA-N	502.929	6.588	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1cccc(Cl)c1	59117387	ZFUSAZRXXQGHSM-VCHYOVAHSA-N	501.797	7.170	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1	59224986	YXWKKRXXAPKHCD-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
N#C[C@H](C(=N\NC(=O)c1ccncc1)/C(O)=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1	82190207	WKLIHDFQVOWFGO-DHGRQILESA-N	635.416	5.465	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C\c3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccc(C)cc2)cc1	97939469	OYVRZPMFCMTUPE-VYYCAZPPSA-N	537.001	5.055	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc(Br)cc1	97939478	XNGSKNNBUPVBJO-UUYOSTAYSA-N	527.922	5.879	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	97986435	WJTJNKDSTKOMBX-MHZLTWQESA-N	564.494	6.953	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1Cl	100336375	HQAMLHCVJCAKSC-MFOYZWKCSA-N	532.221	6.889	50	40	KKGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	100477893	NVWLLEJGWLNCSL-FMFFXOCNSA-N	595.453	7.011	50	40	KKGB	
COc1ccc([C@@H](c2ccc(Cl)cc2)N(C)NC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC	101463532	HRFZUELWPGZHGT-MUUNZHRXSA-N	585.915	6.653	50	40	KKGB	
CC/C(Cc1ccccc1)=N\NC(=O)[C@H](C)Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1	101535644	NUXJEHLFAMMHMY-HMRSZJMWSA-N	624.552	6.090	50	40	KKGB	
CCOc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@H]2C(=C(C#N)C#N)C2CC2)c(OCC)c1	102136701	XCYIDOKEMFZAQO-AXXKPAGNSA-N	555.678	7.230	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(F)cc1	103888307	QNMPFUUBXURQDE-NDENLUEZSA-N	556.375	6.262	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889347	FVCIHQYDRGWENY-PXNMLYILSA-N	546.204	6.609	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	103889815	DREGVOZMQUQJQV-SXGWCWSVSA-N	532.767	6.688	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342013	KWEXQPFKOSBNKY-REOHCLBHSA-N	692.016	8.387	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)o1	150363816	ABUDKFDZFZHTHT-UVHMKAGCSA-N	636.227	6.293	50	40	KKGB	
O=C(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F	164493618	VOAMXAGBQIGIEI-NIPHQSNKSA-N	996.120	10.868	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408549843	ACUDNEJGIGOGOX-CAOOACKPSA-N	553.427	6.838	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408551497	DDBVFMOVYHXVEQ-LFVJCYFKSA-N	550.659	7.170	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C(=O)O)cc1	408579330	FUIOSJVXCQJKDK-CAOOACKPSA-N	533.205	7.106	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1	408637514	LSKHUEAXUSGUDL-AYWVHJORSA-N	588.487	7.576	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408643997	QLFKIGBBAZOAQL-KKKDIUQISA-N	697.610	6.292	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408646200	TXAUGTIZSGGHNU-WOZUAGRISA-N	743.257	6.436	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408649392	XYXFNMACJKUJQZ-QYOOZWMWSA-N	727.362	5.285	50	40	KKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCc1ccc(Cl)cc1Cl	408691902	XFGVCNSGIZYJGU-IUXPMGMMSA-N	590.248	7.142	50	40	KKGB	
CC1(C)Cc2ccccc2[C@@](C)(C(=O)N/N=C(\COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccc(Br)cc2)N1	408734422	QWYKSRAKFLUWGH-JMMSMXMDSA-N	640.666	7.656	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(OC)c2)c1	408744177	DIDCUDAPDXWCEJ-OCKHKDLRSA-N	598.393	5.552	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408745074	PEDURGNEOHTJPD-SXGWCWSVSA-N	581.091	7.643	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792356	ATXZASJEGJWXTE-OEAKJJBVSA-N	652.770	8.569	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1	408792895	MEEDINHGBUTOPJ-GZTJUZNOSA-N	557.198	6.244	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc2ccccc2c1	408793990	HANQPKPNYUZZQL-YDZHTSKRSA-N	572.415	7.034	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc2ccccc2c1	408798174	VAJQMBTVWBRMLR-CVKSISIWSA-N	511.021	7.633	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1	408798384	DVWIQVPZDAVFOK-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cccc(Cl)c1	408802788	HJWCDDKTRGTMAU-RQZCQDPDSA-N	513.775	5.941	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NCCc3ccccc3)c2C)sc2c1CCCC2	408803628	RISIMOOIDFWHDS-HAVVHWLPSA-N	501.652	5.477	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)c(C)c1	408805666	BPIFGMYEUIMYAD-KEBDBYFISA-N	536.382	6.107	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408815041	SZKUZFFFVNEWCY-KQWNVCNZSA-N	512.078	8.004	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1cccc2ccccc12	408825193	HVRQYEGYZZXKLF-TURZUDJPSA-N	575.064	8.205	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1OC	408837890	PICMCAOCEHERFO-WVKHYPTHSA-N	765.310	5.991	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)c1	408838806	IRMDRZCZOUKZFW-QNVXDBMFSA-N	681.395	8.514	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	408839645	VBYBNELTLIDNJN-VVEOGCPPSA-N	569.470	6.485	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1cccc2ccccc12	408848964	XKYANZPUHUYWSS-XZYGTATASA-N	576.125	8.532	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl	408861739	CPLXAESLNZVJRH-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1	408863476	OPRBOTZERHGLQB-XJECJHNESA-N	737.456	6.706	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	408866116	GMXDHXJSFFPAJF-KEBDBYFISA-N	527.404	5.822	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1Cc1ccccc1Br	408870098	VKGVUCQGDADEIH-LICLKQGHSA-N	607.673	6.852	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(Cl)cc2)cc1	408870450	DUKQOTHUZBHCNN-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	408873032	QYSQBYNMAVJKCR-ZXSNDDASSA-N	599.757	5.053	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c2cc(Cl)ccc2C)cc1	408876087	JHFZSJDLZBWGBW-KBVAKVRCSA-N	586.110	5.023	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Br)c(OC)c2)cc1	408890243	QFQRPKVNFSDDOW-XDHOZWIPSA-N	541.829	6.634	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Br)c(OC)c2)cc1	408891790	VKGYHCIWENVLDL-XDHOZWIPSA-N	633.280	6.586	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2cccc(Br)c2)cc1	408892288	HVIXVBJXOATGMY-MUFRIFMGSA-N	600.926	5.251	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(Br)c1	408897523	XNSPLNMNUPPTRC-GXDHUFHOSA-N	531.160	6.234	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408923823	KKRNZTXLXVPOPR-GIDUJCDVSA-N	656.114	7.560	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OCc1cccc2ccccc12	408951322	INWODHGBIULMRC-AYUPIJCOSA-N	692.769	5.885	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408954300	YYNJQVIXRGVMKT-MUUNZHRXSA-N	706.446	6.220	50	40	KKGB	
Cc1ccc(C(C)C)c(OCCOc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1	408969334	MBUBCFXOLYNSDI-LFVJCYFKSA-N	533.466	6.562	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl	408972376	SKXVNEZVTJSIPL-FCMSKLJNSA-N	669.005	7.270	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408973538	TZJLMCFZASWZAD-VNODALHLSA-N	579.528	6.365	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(C)n1-c1sc2c(c1C#N)CCCC2	408978515	IWFNVTJWIJSXGS-KVBGEWAISA-N	575.735	5.466	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408982010	XFTZRDWGDYDCJU-ATSFVSDYSA-N	569.492	7.008	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408982595	IDBBCLZVEHRPTJ-OCKHKDLRSA-N	511.361	6.133	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1cccc2ccccc12	408983124	KSFZQAXQJSQZLC-QRVIBDJDSA-N	622.890	7.930	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccc(Br)cc1	408986112	LQTNGSSVTAJRJN-HMAPJEAMSA-N	551.868	7.273	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408988166	CYUJNODLVZOHTL-POAGEJCNSA-N	700.799	6.363	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1OC(=O)/C=C/c1ccccc1	409001983	LIGPEDYWEZRGAY-ZJXQYNNNSA-N	533.584	5.720	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409013520	NPMOQIXHZZDIAJ-DBSPGSINSA-N	611.739	6.108	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409017205	LIXOIBBMYWXQQA-AQLQTECXSA-N	543.834	7.473	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2o1	409022834	GMXOKRIFADOHHE-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409045817	IFGNYHBHUUYPBU-XDHOZWIPSA-N	505.958	5.316	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	409053935	DUIYROOZISJGHC-CXUHLZMHSA-N	609.087	7.238	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl	409058461	XWDKBLXCFDNGHI-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(Cl)cc1	409074318	TUEDHTUSMJWMOD-FYJGNVAPSA-N	526.942	7.221	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409074392	QSDJMXQKRMVUOD-SFQUDFHCSA-N	638.867	5.665	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c2ccc(F)cc2)cc1OC	409119883	RIZCVQJVHPNPNV-JEPNHJGPSA-N	639.105	5.484	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1	409161580	VYXCJUQZRBQRKZ-KCSSXMTESA-N	581.069	5.332	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl	409208806	CDYRDVZICVYGSM-XODNFHPESA-N	523.869	6.867	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccc(Cl)cc2)cc1	409219904	WKMBTKFPDSYUMZ-ZTRLAIOISA-N	538.431	6.361	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409224631	MTVZHEUKVXQPIH-OVCLIPMQSA-N	634.668	6.336	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	409254117	HRNXGWGYDWRHIH-XESQOAJGSA-N	561.263	5.838	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)c1	409254921	YKSWGIATTDKYGR-NVJOKUIPSA-N	504.801	6.045	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccccc3C)c(OCC)c2)cc1	409256525	OZJZFKNZYCSPPD-KGENOOAVSA-N	625.463	5.960	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409260950	YXVLLJWLCWJGIR-WKIKZPBSSA-N	577.806	5.043	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1	409260952	YZMURZDNTVUJRW-UDWIEESQSA-N	538.431	6.572	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cccc(OCC(=O)Nc5ccc(Cl)cc5)c4)cc3)cs2)cc1	409266093	JOXPKVUXNDVPKV-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409269676	LLQWSJOFFAJIQS-QRVIBDJDSA-N	576.491	6.645	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1OCC	409315744	WRAVSRCJEVFTOO-PKAZHMFMSA-N	517.003	5.059	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(OC)c1	409383888	NKIYOUHABWGMSQ-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386331	PQFPFPOXAKPEEU-RPPGKUMJSA-N	589.265	6.677	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)cc1	409395598	PPFFANHEFHFAIQ-UHFFFAOYSA-N	542.422	7.433	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396420	PRMCNNHJONQGIG-UHFFFAOYSA-N	693.925	7.483	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396479	SDSULTPUXDGNMQ-UHFFFAOYSA-N	576.653	6.291	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397729	NHSOWNMAXQFMOP-UHFFFAOYSA-N	611.496	6.655	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)c(-c3ccccc3)c2c1	409397852	OQXBMQKVTSKQIW-UHFFFAOYSA-N	509.518	5.428	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409398094	QKTXDPODAHLOPO-UHFFFAOYSA-N	688.736	8.383	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409402920	LIELVTBSQUEVTH-OVIUPEKJSA-N	608.091	6.413	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc(OC)c1OC	2351673	BQKXJLIRWKWKEK-LGJNPRDNSA-N	540.692	5.252	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1c(F)cccc1Cl	2705786	ROZVHLAMOMBELY-KKMKTNMSSA-N	545.821	5.183	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)c1ccccc1I	2750632	PBDRSJZGWCRNBR-XODNFHPESA-N	558.782	5.759	50	40	KKGB	
Cc1cc(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c(C)cc1Br	3209868	RKXKTTMESBYGHT-DPNNOFEESA-N	589.555	7.466	50	40	KKGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	3232227	BKGZEAQTTBCIJG-CPNJWEJPSA-N	520.894	7.277	50	40	KKGB	
N#CC(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)/C(O)=N/c1cc(C(F)(F)F)ccc1Cl	3346763	OAGDDYYZCRINCJ-LDADJPATSA-N	532.909	8.153	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OCc1c(F)cccc1Cl	3404396	UZSPYXBYPOODAQ-RPPGKUMJSA-N	516.869	5.037	50	40	KKGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccccn1)S(=O)(=O)c1ccc(Br)cc1	6088295	YAKOOWUJYOIKIM-LDADJPATSA-N	502.371	5.242	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1cccs1	6137127	OAPWLGIVOQHEIU-RUZDIDTESA-N	501.633	5.707	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)cc1	8443113	QCGVMRUTWRBBMG-MUUNZHRXSA-N	564.667	5.438	50	40	KKGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1cncc(Br)c1	13098467	LPAUTKMACUCPBT-IPBVOBEMSA-N	506.278	5.087	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)c2C)cc1	13148134	JKNDLZFLEBYNIB-GOCDZRNCSA-N	530.669	5.425	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(I)c2)c1	97960780	SOSFQEUMFJONPV-UNOMPAQXSA-N	528.777	6.378	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/C(Br)=C/c1ccccc1	97961024	YHDOWAOCNUGFGC-OQAUZWTCSA-N	595.911	5.891	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)C3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c3ccccc32)c1	97965850	HWUKKWPUTJXJNE-HNSNBQBZSA-N	556.732	5.474	50	40	KKGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc2c(c1)Nc1ccccc1S2	97980744	LQZUIDCHMOAEFP-AJBULDERSA-N	542.686	6.466	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)N1	98048549	GVPABNMBMDGRRK-RUZDIDTESA-N	586.655	5.813	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1	98048786	IHRZIJROJVONAH-HHHXNRCGSA-N	545.064	6.055	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccc(C(C)(C)C)cc2)s1	100103770	AZSFCGINCKXJKC-BIZUNTBRSA-N	616.700	5.455	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2-c2ccccc2)cc1	100211691	UEQUJSWGFQIVIO-VAMRJTSQSA-N	551.646	7.211	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccccc2)cc1	100350459	YURPSTNXNKNKLY-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1Oc1ncc(C(F)(F)F)cc1Cl	100946436	BUEJMRHTOCWSLX-RQZCQDPDSA-N	578.874	6.792	50	40	KKGB	
S=c1sc2c(s1)S[C@H]1[C@H](C[C@@H](I)[C@H]1I)S2	101463568	IDORSZWXNJCJBK-LECHCGJUSA-N	516.279	5.485	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1cccc(Br)c1	102964942	BGQOYEQTEYBPHM-QRQIAZFYSA-N	554.901	6.291	50	40	KKGB	
CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341334	XKUPFZOQGXPZPV-QMMMGPOBSA-N	808.195	11.066	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1cc(Br)ccc1O	150420668	NWGQEHIWKTVNLF-HXCXGEGBSA-N	626.894	5.775	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccccc1	150496679	QQVMDYRFKIDJCN-YVLHZVERSA-N	638.097	6.941	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C	253531089	HQCIIKWOMRRRPN-HUYKSXEKSA-N	521.624	8.723	50	40	KKGB	biogenic
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(I)cc1	408541366	GBVVNIQOTYKBEO-NVMNQCDNSA-N	680.236	5.727	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550790	HGOHLSQRRBSXTP-PXNMLYILSA-N	623.718	7.371	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c3ccccc32)c1	408568766	KUVBFOLLEYNIGY-MUFRIFMGSA-N	501.677	6.006	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1Cl	408598573	DTNDZCODTTVIRU-KBKYJPHKSA-N	508.745	5.907	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408601452	AZDUPVBLEABLPN-SFHVURJKSA-N	514.409	5.386	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)CC2=O)cc1	408606039	LCIBTTKRMGOKON-SFHVURJKSA-N	544.435	5.476	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408653137	DVVBJQNNRVGXGZ-LFZDHENXSA-N	652.767	5.342	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408681653	IABJPIYVTHNZOS-YEYGNOCGSA-N	635.567	5.982	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(Br)cc1Cl	408687437	OUQWLHSKBKQWQR-NCOADZHNSA-N	588.669	5.012	50	40	KKGB	
O=C(N/N=C\c1ccc(Cl)cc1)c1ccc(-c2ccc(C(=O)N/N=C\c3ccc(Cl)cc3)cc2)cc1	408721564	UAAGSYOCEGNKDE-KUUUIRGPSA-N	515.400	6.188	50	40	KKGB	
CCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1	408729816	DKNJCXNFEYEIPD-FKYZWFTPSA-N	541.607	5.052	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1I	408744151	JIOKCYZXUVMLSL-GDNBJRDFSA-N	553.194	5.563	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	408744602	GEBVQQFOQATFAS-YVLHZVERSA-N	670.672	6.682	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)c1	408744740	GZUWSCWJFFEDJE-ODLFYWEKSA-N	525.374	6.120	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)c1	408746793	VUKULQOYLMWNCP-LSCVHKIXSA-N	600.263	6.464	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408765036	YVLZARSZNCNWFJ-MFOYZWKCSA-N	591.097	7.099	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1cccc2ccccc12	408765727	ZPSTZWFCMBMKFK-DPNNOFEESA-N	506.524	6.529	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408786768	NKHOMLRIEZVABM-MXAYSNPKSA-N	501.501	8.933	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl	408788708	FJLWWSIPPQEABL-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc2ccccc2c1	408790216	VEPIPUROPQSTCW-CVKSISIWSA-N	555.472	7.743	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408792912	BZSXRUFZYWHDGF-SRZZPIQSSA-N	597.409	6.340	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1	408793543	FRLYRINFCUDQRK-UDWIEESQSA-N	587.255	6.741	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC	408793782	GQCKVAHWIPJBHX-VGOFMYFVSA-N	542.213	5.642	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1	408796864	QLIIWCHOSZZFGQ-MFKUBSTISA-N	558.419	7.131	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1	408799525	ZJPLKJODWUFKIK-XDHOZWIPSA-N	617.237	5.965	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1	408802297	YBSWKNOYNDQQRK-CJLVFECKSA-N	541.401	6.514	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408814742	WEDHDEWSWBDJJL-OGLMXYFKSA-N	567.085	8.059	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408816833	WSFJSQDPWPDASY-LHGHAUGYSA-N	604.150	7.495	50	40	KKGB	
Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408838011	QJAUCILQGDKMGI-LQNQUEJISA-N	562.051	5.044	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(F)cc1	408840761	DOPIVIQMILOAOJ-KULFSUQXSA-N	726.999	8.692	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1O	408848414	WDPOOLPYUXQDNW-KKMKTNMSSA-N	514.390	5.939	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408859228	NGCCAACQCMLYRM-NDZAJKAJSA-N	537.682	5.145	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408862374	HBXGEAFHOKSZNU-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408869294	QPXOXXOTLIJHFB-FABQOPTDSA-N	687.012	6.353	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1Cc1ccccc1F	408875908	HVFJTSNHWJMBHT-UDWIEESQSA-N	540.376	6.274	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccccc1Cl	408886121	DMZYLNCZOHHJFT-CPNJWEJPSA-N	558.803	6.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1cc(C)cc(C)c1	408886231	FSEJLZOHEVYJSS-CIAFOILYSA-N	586.857	7.085	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3cccc(F)c3)c2)c(Br)c1	408900021	SHEXLVJAUANQSU-LICLKQGHSA-N	558.201	6.424	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCc1ccc(F)cc1	408904311	HTHVIZUPXXGHBZ-FDVSRXAVSA-N	503.486	5.560	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccccc1F	408924743	OBYQXMMKRXAJOW-UVHMKAGCSA-N	597.222	5.934	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc(C(C)(C)C)c1O	408927279	ZZXZFKRUJIYWLF-HNSNBQBZSA-N	535.084	6.943	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1	408944158	INVRLOJQRYMWOF-LJAQVGFWSA-N	681.609	5.230	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1	408947455	NRPSSPVOQRUGRD-GDLZYMKVSA-N	682.155	5.111	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408958063	XIIIAENVZKTTBB-WHNQQBDFSA-N	711.599	6.038	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408995033	KWZVKCMAEQYGAJ-JWHWKPFMSA-N	539.660	8.319	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OC(=O)/C=C/c1ccccc1	408997926	PFZGACUEQBGMOW-GMBCMHDDSA-N	523.545	5.313	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1	409004371	CEBMDFAEGZGNCQ-FXIXIHIJSA-N	640.490	6.400	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1)c1ccccc1	409004995	YQDDHCPJLFMNBB-CIMVZPIYSA-N	558.462	6.299	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	409013508	KOGQEZPBILHPOG-OIJHIOAXSA-N	585.315	7.009	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl	409024298	JLSVLBQYDWXZMG-BSAWEUQCSA-N	599.540	6.498	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	409050016	ZMDGXTAYFHQAQF-UDWIEESQSA-N	507.804	7.925	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409080957	ONQALNKGAZEXLS-AMVVHIIESA-N	596.275	6.365	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccc(C(=O)O)cc1	409103378	YEQUYCHYESCTDW-VWLOTQADSA-N	565.376	5.072	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccncc1	409114049	IHYXCTUZDARIKP-DXJNIWACSA-N	532.585	6.029	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409152727	LBVOBOKLMMYAMD-VFLNYLIXSA-N	563.825	5.152	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409188918	KOVHWOVMFRLALN-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c2)c1	409220199	ZDVRMSAFDCWODI-UHFFFAOYSA-N	625.306	7.300	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1cccc(C(=O)O)c1	409244645	GTLTVJHNAWLVFJ-UCQKPKSFSA-N	596.421	5.233	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409245577	WBDABYGCFJSOEV-YVLHZVERSA-N	582.747	7.088	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409245725	YFZVEBSNSYJUNG-NVMNQCDNSA-N	530.886	6.190	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409248211	CLUKSLIMDUMYQU-VHFSBPNMSA-N	640.165	7.614	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)cc1	409257467	PEDMAHAGRSOGBQ-VULFUBBASA-N	509.347	5.067	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1	409263984	DGKDTAGWWMUKHV-AEUUOICLSA-N	606.506	7.061	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)ccc1OC	409313969	DRVJLXHUBANMDE-UHBFCERESA-N	540.016	5.236	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC	409316435	XRCZNAUVHYJFNZ-RHANQZHGSA-N	586.426	5.606	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409316815	MLXKXZPUWIKYDB-YADHBBJMSA-N	562.475	5.119	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409337534	YQKLGMLRSPFHAM-WOJBJXKFSA-N	525.841	5.717	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409362557	HZWSJCKRTKGSSF-RODHXAHZSA-N	735.579	7.396	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1	409362972	KPNVDBRSNPKHGL-FDVSRXAVSA-N	561.860	5.790	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c1	409367473	AVMQHRXKOZYGFO-IPBVOBEMSA-N	711.121	6.563	50	40	KKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1OC	409378899	SCHCIUHGEVKZON-SRIQITJBSA-N	534.632	5.520	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccco1	409395476	NZYQRAHIIDRNRH-UHFFFAOYSA-N	641.703	7.589	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)[nH]c12	409395902	TUSFRRFLQULDGJ-UHFFFAOYSA-N	695.795	8.313	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409396773	BBBZZFQFCVXENY-UHFFFAOYSA-N	562.840	7.778	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397941	PQYTXUUWDDBOKF-UHFFFAOYSA-N	581.072	6.854	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409398073	QEPKAUSUXUCOKH-UHFFFAOYSA-N	552.030	7.097	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc2c(c1)OCO2	409401622	HTJQEQGUBVRBIA-AEVGBRMKSA-N	642.108	7.390	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1O[C@H](C)C(=O)O	409403325	ZNCVCNUAAMJZHI-GYDRZMFUSA-N	566.010	5.544	50	40	KKGB	
C=CCOc1c(Br)cc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409409462	PEMBZBUGWMNRQA-ACXHZZMFSA-N	582.882	7.011	50	40	KKGB	
C[C@H](OCC(=O)OCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)CCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12	725442905	FPVAYRBDNHGIFH-QHCPKHFHSA-N	704.689	6.139	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)c(I)c1	1529546158	DAPDCQJBFXKEMW-UUTVKSQHSA-N	810.452	5.360	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(C(C)C)cc2)c1C	1529547550	LSRHSFUOJKKJIV-AAZMWOIVSA-N	587.746	5.103	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCc1ccc(Cl)cc1Cl	1529548495	HMKDJPKXIPITCA-VVYBVRPNSA-N	783.472	6.071	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(OCC)c1	1529548586	JLSKXWVQBCZXJA-QKRNDYIXSA-N	778.669	6.307	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	1529548643	KOUHUIOVRJJYAV-TXFJQYODSA-N	687.616	6.066	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCc1ccccc1Cl	1529548910	PTQCLOUMFPJRLY-CKRMDNAKSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc(Cl)cc1	1529549448	ZHTHLYVHFQRWSO-AYSITGFNSA-N	844.897	6.013	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	729017	BBJVZXURZWQDLZ-VWLOTQADSA-N	587.023	6.967	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccncc3)nnc2-c2ccc(Cl)cc2)cc1	1243694	LHTFCNNVKPLTBU-OGLMXYFKSA-N	507.019	5.014	50	40	KKGB	
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	1865696	DQKVERUUJNTXIE-LGJNPRDNSA-N	527.393	5.392	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1Cl	3088938	YXRAGIRPAHOMEJ-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@H](c3ccc(F)cc3)Nc3c(ccc(Cl)c3Cl)[C@@H]2[C@@H]1Cl	4131470	WLRMATSNTPBCTC-JPGZPYKZSA-N	523.844	8.079	50	40	KKGB	
C/C(=N/NC(=O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1)c1ccc(Br)cc1	8770065	BJZOSUJSVOYKGP-QDTIIGTASA-N	534.361	5.931	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	12250084	SQYSDOCSJOHEFA-AREMUKBSSA-N	512.635	5.281	50	40	KKGB	
COc1cc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)ccc1OCc1ccccc1	12251042	YWKOFBSZSVYIFK-QHCPKHFHSA-N	518.038	6.147	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1F	20348442	UGJGHXNLTGTIDD-XMMPIXPASA-N	512.006	5.585	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)cc2)cc1	28214756	XRNDTMDAIYQKTF-ZCTHSVRISA-N	525.630	5.769	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](C)Sc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	36080552	LGYLORKEYXYSAZ-CXEVKQCWSA-N	527.690	6.551	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)c2C)cc1C	58915414	GLAJFJZATDLHOY-NDZAJKAJSA-N	514.651	5.300	50	40	KKGB	
COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2=O)cc1OC	97946818	KBRWRPQLVOEEBD-USHMODERSA-N	558.638	5.700	50	40	KKGB	
O=C(CCCCC(=O)NNC(=S)Nc1ccc(Cl)cc1Cl)NNC(=S)Nc1ccc(Cl)cc1Cl	97948582	CVTYZYHSOJLNLL-UHFFFAOYSA-N	582.366	5.196	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c1C#N	97955890	AJSKPURSUZAJBU-VPUKRXIYSA-N	650.315	5.020	50	40	KKGB	
O=C(N/N=C\c1c(Br)cc(Br)c(O)c1Br)c1ccc(Cl)cc1	97961717	YTJJLXWBSDHOSV-SWNXQHNESA-N	511.395	5.097	50	40	KKGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	97980736	WPYJZXFIKHFJRK-CCVNUDIWSA-N	546.411	5.191	50	40	KKGB	
COc1cc(OC)cc(C(=O)c2c(C)c(C(=O)NP(=O)(N3CCCCC3)N3CCCCC3)c3ccccn23)c1	97984902	CCFMLIPBPAIBQV-UHFFFAOYSA-N	552.612	5.306	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	100063421	DTXQWERHVXZDJA-VFLNYLIXSA-N	570.698	7.080	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1ccc(Br)cc1	100130773	TVMOJJQDKLEPCK-BRJLIKDPSA-N	535.305	6.003	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccccc1	100220752	HSNMERGZNWFSOB-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)c1	100326451	NTYXLQAYRZYDLE-BIZUNTBRSA-N	578.090	5.825	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)N(c3ccccc3)C2=O)cc1Cl	100991368	QFEJYCMHUNLTRZ-SCHJHDHGSA-N	605.572	7.414	50	40	KKGB	
O=c1[nH]c(SC[C@@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](Cl)c2ccccc2)nc2sc3c(c12)CCC3	101026551	HPNXSZPBSAWZNK-TZIWHRDSSA-N	530.096	6.615	50	40	KKGB	
Cc1cc(O[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)nc(S[C@H](NC(=O)C(C)(C)C)C(Cl)Cl)n1	101164243	BWSZVTLKOKGQJQ-SWLSCSKDSA-N	568.782	5.407	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-]	101664699	DQJITOPLFJLKIP-XODNFHPESA-N	613.266	5.708	50	40	KKGB	
CCCCCCCCCC(=O)Oc1ccccc1N1C(=O)[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C1=O	102127150	MDPZZBPTEDDDCX-FCGDIQPGSA-N	557.323	6.159	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	102718501	ABHBZRUVVVVGAL-MHZLTWQESA-N	545.064	6.055	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	102809840	KZEDRZJCPQPVBA-SANMLTNESA-N	601.025	7.204	50	40	KKGB	
O=C(NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N[C@H](Cl)C(Cl)(Cl)Cl	104828968	DEOQYJOJBCWGAC-NRFANRHFSA-O	582.102	6.819	50	40	KKGB	
CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341290	RCGBDDDVFSMWHI-ZETCQYMHSA-N	694.154	9.405	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2I)cc1	150473726	RKMVSYAOYMWHNZ-CAOOACKPSA-N	699.670	6.891	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	162480722	JPWZTXCLLCMULC-DPWJMMOYSA-N	683.330	6.279	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cccs1	164439154	SEOBLFQPIRPTKW-AUEPDCJTSA-N	622.653	5.954	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539037	DRXVNXAYDLQKPG-HWIUFGAZSA-N	524.617	5.945	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551491	LDDSQYFSJFVFKO-NVJOKUIPSA-N	657.248	5.686	50	40	KKGB	
N#C/C(=C/c1cc(I)c(O)c(I)c1)c1cccc(Cl)c1	408599728	ZBOJJPLTMLHKGW-WCIBSUBMSA-N	507.496	5.319	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1	408641346	KAJWVVWGFKIGEJ-NGSHPTGOSA-N	732.809	5.730	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	408657107	UBIDWKPIWJKRQE-OPYAIIAOSA-N	556.273	6.060	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(Oc2ccccc2)cc1	408680128	DFJVLTPSPIKLIP-UCDDGIFISA-N	567.425	5.389	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3C)cc2-c2ccc(-c3ccccc3)cc2)c1	408724141	GFUUIAHKFWWAKU-UZWMFBFFSA-N	515.573	6.495	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1ccccc1Cl	408736017	ZXRMLHWGGGWULK-MHDJOFBISA-N	651.888	6.151	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(I)cc1	408757390	ZJQKVKHBLWDYCS-LGMDPLHJSA-N	573.184	5.819	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1OCc1ccc(I)cc1	408774339	ZLHYPBWOLWYXQK-BKUYFWCQSA-N	538.385	6.041	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccccc1	408791129	UNGILLIPFFBJLM-LZYBPNLTSA-N	675.091	7.327	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccccc1Cl	408799258	YNCCMKUIYNSUPX-CIAFOILYSA-N	643.706	7.985	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccccc1	408812660	NOPXTSBFSNUCOB-WQRHYEAKSA-N	528.321	5.564	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1F	408820623	XNBBLOPABVFDBP-CPDSRJINSA-N	586.255	7.168	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)cc2)S(C)(=O)=O)cc1C	408833221	WUWXKRPHYCOZIH-ALQBTCKLSA-N	619.143	5.704	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408837546	IKUHPWUWCCOEML-BIZUNTBRSA-N	545.636	5.367	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408837947	AWXOUOQIBDLMMT-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccccc3)cc2)cc1	408838773	IFFHMZGAOXRFKQ-FDAWAROLSA-N	572.415	5.693	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1	408839569	AOTXVCNPCJVMBI-JVWAILMASA-N	508.402	5.177	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Br)cc1	408842284	ITTLIOIUBMWNFD-KULFSUQXSA-N	711.421	8.605	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)cc1OC	408844451	SZBKANZTGWHILD-UXHLAJHPSA-N	600.535	5.239	50	40	KKGB	
N#CCOc1c(I)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408846014	XDDMYRPMOPYYDK-ORBVJSQLSA-N	711.245	5.710	50	40	KKGB	
C#CCOc1c(CC=C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408846606	QHKNKQONGSYBJX-XSVYLIDLSA-N	517.629	6.356	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc(C)c1	408848057	XZBWOUKWMLEEQA-NUJZUDFISA-N	586.280	7.008	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408849942	BGCRXANTLOGMRL-UDWIEESQSA-N	602.356	8.577	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2ccccc2o1	408856445	KDIQOMYKZIDTMR-BCHBDCPOSA-N	572.209	6.029	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)cc1OC	408860544	XYUUKBLYFOCIID-FDAWAROLSA-N	625.545	5.219	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408863056	ORIRFLIPBGPDDN-HNSNBQBZSA-N	636.568	5.999	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	408866316	DZAPKDJUIABARM-PXLXIMEGSA-N	501.413	7.834	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408866760	ITMODMVBKGVKCV-FJEPWZHXSA-N	587.485	5.213	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408877465	WBHKFNDRTFAXOE-ATZGPIRCSA-N	677.404	6.933	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Br)C(=O)Nc1cccc(C(F)(F)F)c1	408879629	HGCYZUPMQAOYIQ-LICLKQGHSA-N	580.198	7.355	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408882341	NMZIAZVUPGFMMT-VWJSQJICSA-N	593.492	6.930	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl	408883453	RDCZTXGSSBFUBJ-VIZOYTHASA-N	615.536	8.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Br	408890929	INYFPJBUZVGLJQ-CIAFOILYSA-N	584.308	7.352	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OCc1c(Cl)cccc1Cl	408892609	CZRHPWCBSWSBBD-MHWRWJLKSA-N	625.144	7.960	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccc(Cl)c(Cl)c1	408893085	FJACILPVVNTNDP-RQZCQDPDSA-N	625.144	7.960	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408897048	PYZCQKMCWHLULM-RQZCQDPDSA-N	579.221	6.731	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3ccccc3)cc2I)c1	408923054	ISEZXGHFRRZAPI-DHRITJCHSA-N	596.206	5.547	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc3ccccc3c2)cc1Br	408942655	GMFFFXJSYGCNSJ-MGBGTMOVSA-N	717.642	6.075	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl	408943635	UFVOIHGELMRTSQ-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408948090	OTNQMQFZIUOOLM-HHHXNRCGSA-N	750.897	6.329	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc(Br)cc1	408961009	KYNNFNOTSLETAD-XODNFHPESA-N	617.250	6.608	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408962783	UYGJMJQEXYJGOJ-UVHMKAGCSA-N	583.351	5.753	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1cccc(F)c1	408964480	HDXOJVILBFSCIX-KKMKTNMSSA-N	589.317	5.436	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCC	408971173	NKNTXBFMFHKBMQ-NXANOMBNSA-N	664.368	5.844	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)O	408973794	VFANUWBMTVTOPC-ZALYDFBRSA-N	681.367	5.263	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408982575	IAGFLOOCQJBTPE-APSNUPSMSA-N	676.563	8.447	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccc(F)cc3)cc2)c1C	408983147	KYXQJJCJYWGPMO-JLPGSUDCSA-N	514.000	7.320	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1Cl	408984562	RWMZOZUSQLKVIH-IDUWFGFVSA-N	516.768	6.988	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Br)cc2)c1	409001125	HAYGGBSGILNWDD-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(I)c1OCc1ccccc1Cl	409018057	QDDRDXKBUOCHCO-CPDSRJINSA-N	601.828	5.610	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1	409024262	IUIHFMLSYXTTCY-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(Cl)cc1	409039706	XGRDNLIGQNNYQZ-FABQOPTDSA-N	600.900	7.669	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409039866	XBFVDMRLEWYJBN-DPNNOFEESA-N	526.423	7.552	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)c1	409045991	HSZYMZKFHAZQFA-VCHYOVAHSA-N	544.218	6.784	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1cccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409050193	SKGYBIMRWLUBBI-IDWIKUEFSA-N	586.489	8.160	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1Cc1cccc2ccccc12	409050308	UFWUOUAVJRYWAO-FNTLCPBMSA-N	544.658	8.130	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409069163	LPJJQXVGPOJBFR-RWPZCVJISA-N	518.466	5.458	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c2cccc(Cl)c2)cc1	409128665	SYTVUOYQVSPKCY-KVAAJVFYSA-N	707.430	6.698	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409139973	PKFFOMRAQUKACS-RUZDIDTESA-N	600.941	6.073	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409188047	FJCZMIHRDYGSER-MFOYZWKCSA-N	585.269	6.541	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409220115	UKULBQXLLPOZKI-UHFFFAOYSA-N	627.650	5.355	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1cccc(F)c1	409244819	JCKROYAESIDUQJ-QREGZJMFSA-N	509.375	5.960	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)cc1Cl	409248941	GARAPZXMGUMTJI-DJKKODMXSA-N	617.725	6.414	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OCc1ccc(Br)cc1	409257078	NWRSLZZVHYWYFA-DHRITJCHSA-N	635.387	6.068	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	409258352	USNSJHZPYZZART-VCHYOVAHSA-N	571.225	6.510	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409265682	NTESJFJXSDVYGS-QMRORBIVSA-N	691.007	7.760	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(Br)c2)c1	409269010	CUTLPGPCXBLMPE-WKIKZPBSSA-N	575.257	5.310	50	40	KKGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)c(C)c3)=C2C#N)cc1Cl	409305268	UMKJPELANPFBBX-OAHLLOKOSA-N	520.836	5.130	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409314513	KXPCSXCTWXVDCS-NTFVMDSBSA-N	527.415	5.598	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OCC	409315972	XLQRLSBPLDHYKV-YKQZZPSBSA-N	573.067	5.542	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1OCC	409324162	RHNTVURWRPNKDS-MNDYBZJGSA-N	633.337	6.099	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409326122	GZLYECPRYQHYEU-AQLQTECXSA-N	579.915	6.405	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409336785	VVUYFZOKVVQTFT-AABVJFSESA-N	553.449	6.615	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2I)c1	409371225	DBCMEEGWLOBXQD-OCKHKDLRSA-N	622.200	6.756	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409372200	PJMJVFSBBGSEGR-RQZCQDPDSA-N	524.242	6.263	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409372600	FKSJMDNYRTVOLY-MFOYZWKCSA-N	543.248	7.592	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(I)cc1	409385912	MJCUKYFHWFQHTI-KKMKTNMSSA-N	713.291	6.370	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OCC	409386288	PFQYJQTVNRMFBS-FSJBWODESA-N	504.362	5.299	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409396047	VSAFAVSVYOGQFX-UHFFFAOYSA-N	740.792	8.303	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)o2)cc1	409399937	AIWPZIFLTXRXQD-QMRORBIVSA-N	816.390	7.726	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC(=O)OC	409402065	IZNOAEFWCWBKNN-FZKWRIDDSA-N	585.657	5.709	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc2c(c1)OCO2	409406957	YGUQKWLUBUYFJC-FDUMAKPYSA-N	706.977	7.762	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccc(Br)cc1	409408274	JXQMSBWLWYGFPG-KMUKQRDJSA-N	642.506	7.020	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccc(C#N)cc1	1529548694	LTRBMXSVLSDDIP-LVOLJPLZSA-N	697.011	5.438	50	40	KKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1	1249926	IATWRPRZRUYJRC-XDJHFCHBSA-N	562.047	6.705	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)s3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1814979	TVMNHJQQCQJYCT-LQKURTRISA-N	503.697	6.153	50	40	KKGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)c1-c1ccccc1	2596159	PTXHFURAQRNUPS-PNQUVVCRSA-N	583.823	5.203	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)n1-c1ccccc1	2740056	IXUQZNYJJSRDKV-XRNVTWDNSA-N	571.106	6.331	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c(Br)c(Br)c1OC	2799621	IZGDZSJWCVYTBH-HNNXBMFYSA-N	546.219	5.227	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)c1cccnc1	3011770	OPBCTTGFSOFUFN-NSKAYECMSA-N	558.057	6.256	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)COc1c(Br)cc(Br)cc1Br	3027387	IIMONKHCWFSZMI-QPSGOUHRSA-N	599.899	5.274	50	40	KKGB	
N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cccc(Br)c2)cs1	6060089	IPZCUKDOMMZRDR-NTCAYCPXSA-N	544.481	5.806	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2c(Cl)c2ccccc12)c1ccc(NS(=O)(=O)c2cccs2)cc1	6147271	GPBGHEFPQIBIET-LQKURTRISA-N	520.035	6.273	50	40	KKGB	
Cc1ccc([C@]2(C(F)(F)F)N=C(SCc3ccc(Cl)c(Cl)c3)C(C#N)=C3C=CC=CN32)cc1	14181606	HMYQNVZBTOUCJQ-QHCPKHFHSA-N	506.380	7.526	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1	19926506	RKHYVXGVINSDJW-JVWAILMASA-N	520.438	5.122	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	59856215	ZOEDUHVQKNCILG-IWBSIUBASA-N	539.701	6.534	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)cc(Cl)c1OCc1ccc(F)cc1	97966409	OQMABNOKLGDHAW-AMVVHIIESA-N	568.030	5.172	50	40	KKGB	
N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@H]1c1cc(Cn2cnc3ccccc32)cs1	98008127	XWFPYFWJKOPBCN-AREMUKBSSA-N	545.590	6.470	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	98048651	YPEISCIVHAKTFQ-VWLOTQADSA-N	621.468	7.620	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F	100118447	PUWJTYXJKSPQBV-FADJLKOXSA-N	580.685	6.393	50	40	KKGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	100294270	ZWTXSBZMESGSRD-KYHGBAKBSA-N	609.104	5.038	50	40	KKGB	
CCCCOc1ccc([C@H]2CC(=O)C3=C(C2)C[C@@H](c2ccc(OCCCC)cc2)[C@H]2C(=O)OC(=O)[C@H]32)cc1	100741257	JYGVBDUPDUESNF-XZPKQCLTSA-N	516.634	6.291	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(Cl)cc3Cl)n2-c2ccc(OC)cc2)cc1	100858362	JHGZYTXLSIQAIB-MUFRIFMGSA-N	556.475	5.891	50	40	KKGB	
Cc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(\C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1	102418803	JIWBXEBHBJKNOT-HVWNNATMSA-N	594.136	7.542	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	102810059	GMTBAKVAXUXTOO-NDEPHWFRSA-N	561.082	6.803	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/NC(=O)[C@@H](Cc1ccc2c(c1)OCCO2)c1ccccc1	104050851	SAGRAXWLSPQSAK-GIQGSQORSA-N	540.491	5.527	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\CCCC/N=C/c1ccc(N(CCCl)CCCl)cc1C	104078460	XUGNPAKVJGUPLR-NRYMNODQSA-N	572.452	7.190	50	40	KKGB	
Cc1cc(N/N=C\c2ccc(N(CCCl)CCCl)cc2)nc(N/N=C/c2ccc(N(CCCl)CCCl)cc2)n1	104385411	IKZNUVGTINPNJM-VHOJZIPVSA-N	610.421	6.245	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OCc1ccccc1Cl	112265020	XRYUFPLWFZQVCL-WYMPLXKRSA-N	524.742	5.279	50	40	KKGB	
CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341428	GNZWFMZOQNGUOW-JTQLQIEISA-N	786.242	11.211	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342135	NFOZMVHPQPMLGB-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
CC(C)Cc1cccc(C(C)C)c1NC(=O)CCC(=O)N/N=C1C(=N/NC(=O)CCC(=O)Nc2c(C(C)C)cccc2C(C)C)/[C@@H](c2ccc3c(c2)OCO3)Oc2ccccc2/1	150435030	GOYJSRGDJJYCTP-SVUNYQOMSA-N	843.038	9.248	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795382	ZNJUGVWXYIKSJT-CHWSQXEVSA-N	672.167	9.280	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538585	OYCCEKRPLWPPNF-MYYYXRDXSA-N	565.582	6.316	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc4ccccc34)cc2Cl)ccc1OCc1ccccc1	408538610	ALVJWNIOKCAZBH-CLHYIUPASA-N	599.514	8.467	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)cc2Cl)ccc1OCc1ccccc1	408538784	BQURUBFHDFHLAT-YTJQMYRNSA-N	685.604	8.902	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	408540402	RHJUBHVUKSOTQC-DXJNIWACSA-N	525.561	5.915	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(N)=S)cc(I)c1OCc1ccc(Cl)cc1Cl	408541820	FCKWXQHRVPOVFN-WLRTZDKTSA-N	533.218	5.769	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550955	IOPCWKCJQFLCKJ-ADJDCTSUSA-N	739.479	8.803	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408552185	PARFFTWAZBMYPR-CXUHLZMHSA-N	579.267	7.262	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1	408607866	FJBFWFFOYJTABJ-AMVVHIIESA-N	519.907	5.425	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1C	408609244	QOWOTONFGUDWIN-KVSWJAHQSA-N	549.252	6.041	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O	408640204	HPLMMYQCJQDBIA-SFHVURJKSA-N	516.208	5.424	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408649195	KUYAASFHSKPNCM-IGKZNWNYSA-N	709.621	6.148	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1I	408675927	CKABVCLTYCKWEG-STBIYBPSSA-N	550.400	5.106	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1	408726914	WNSOHKKMKGNYPC-BKUYFWCQSA-N	538.385	5.987	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	408747503	OWGAPNNOHKRYIL-XICOUIIWSA-N	642.493	6.418	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)ccc1I	408747994	WTCGHGSKNVELKT-LGJNPRDNSA-N	595.231	5.414	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408749584	QXBSTRFHTJKFOZ-WKULSOCRSA-N	562.514	7.033	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(Br)cc1	408785925	JWNCVHMFTLPZJV-MFOYZWKCSA-N	522.237	5.621	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)cc1	408788665	LZENTELLCUURRK-WSDLNYQXSA-N	515.953	5.522	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)cc1	408791339	WECMOQLNANETMJ-UDWIEESQSA-N	553.384	5.898	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408792398	BAOODDLLIVXMND-FRKPEAEDSA-N	532.767	6.688	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408792844	COMRSARIMQVFFX-CIAFOILYSA-N	626.403	5.299	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1cccc2ccccc12	408793741	QCWWZMBZQKYSEJ-HYARGMPZSA-N	606.314	7.888	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(I)cc1	408793780	GPUOBNLVVQEJAP-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1	408794488	JHYLQYHBBPZSRL-VXLYETTFSA-N	525.344	5.603	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc2ccccc2c1	408796013	NYTSXSSNJKNGLR-AFUMVMLFSA-N	588.445	7.195	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408796034	OCNZZPPBXYURMF-WPWMEQJKSA-N	668.385	9.068	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1Cl	408801661	WSQDRYDKDDSVGB-RQZCQDPDSA-N	506.216	7.733	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2ccc(Br)cc2)c1	408802079	CRNDBOUVSOURFU-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(C)c(C)c2C)cc1	408825010	CFWTXLVSXRJWAT-HNSNBQBZSA-N	560.119	6.733	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408835220	NLJXBICRQPJKCI-FSJBWODESA-N	697.369	8.766	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1	408837193	ZTJAXSZCDGMCGI-HKWRFOASSA-N	606.959	6.987	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408841922	HFYLRYWNAXBMRD-ODNPBWNPSA-N	646.552	7.771	50	40	KKGB	
CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408845984	QDWDFZBLHPTIMY-WKULSOCRSA-N	565.493	6.796	50	40	KKGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408846892	LKPLUSJBBIFNNY-DXJNIWACSA-N	589.433	5.842	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Br)cc(Br)c1OCc1ccc(Cl)cc1Cl	408865414	CMHJVHCOZGPLFH-VPUKRXIYSA-N	647.216	7.490	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cccc(Br)c2)cc1	408869190	RONPFELENVUYJA-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl	408874983	FXWYMZWFPMSVAP-WCMJOSRZSA-N	535.431	6.069	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(C)cc2C)cc1	408876335	KXXKORVHKKLTFF-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)cc1	408885790	ASYCUMHLDAPNNB-FMFFXOCNSA-N	530.665	6.298	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408904443	JNCWJWBURFXSQK-ZRGSRPPYSA-N	528.746	6.100	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)ccc1Br	408905163	UNMNIRKDURDJKC-RMORIDSASA-N	511.601	6.589	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925658	SPESFWLNCAJZJC-CXUHLZMHSA-N	605.412	5.182	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(Br)c1	408943137	HBZKDWQQSVVBOO-HHHXNRCGSA-N	689.991	5.706	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408964148	PJNTVUQSEUSKER-GPBCMOQFSA-N	602.902	5.313	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccccc1Cl	408969217	JLLLDHQOWOGLAP-MWVBGNBESA-N	566.098	5.686	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1	408972529	UVMGSUHQVBGQNM-NIVXUIPCSA-N	610.549	5.795	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc(I)cc1	408989102	JVOMEKHNYBTFHF-HZHRSRAPSA-N	612.895	7.505	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc2ccccc2c1	408992501	TTZZQSNFQZJQQG-QQXSKIMKSA-N	571.902	8.417	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)Oc1ccccc1/C=N\NC(=O)c1cccc2ccccc12	409010803	LNLMYBUUGDOCKF-INCUJJMCSA-N	609.465	7.749	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2cc(Br)cc(I)c2o1	409011371	HLYVIPKLAPZJRL-RPPGKUMJSA-N	620.197	6.051	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	409015127	NWDKPIWRADWFDR-UNMSNDGNSA-N	614.570	6.728	50	40	KKGB	
COc1cc(C)c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1C(C)C	409018402	WRILRADWNMOMRZ-YSURURNPSA-N	555.210	6.004	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409019243	ZQVDXTLTRXGYFT-FXMZOFOKSA-N	688.541	7.559	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1cc(Cl)ccc1Cl	409027575	FURLQZJNXBQXJG-MZJWZYIUSA-N	500.407	5.216	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1	409028576	PFRYWLZIUUNBPM-VBAOPZSKSA-N	639.561	5.595	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)Cc3ccc(Cl)cc3)c3ccccc32)cc1	409145146	MWFQQBAFMMCBIO-AOJYFBTHSA-N	604.106	6.024	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Br)cc1	409168531	MEMSMKWRWVKPQF-VFLNYLIXSA-N	608.276	5.261	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409174163	SPEDZEJRCRCWAI-XAZZYMPDSA-N	662.912	5.375	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409224482	KKPSKBQIQNEZLF-UHFFFAOYSA-N	652.487	6.263	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)Cc4ccccc4)cc3)cccc2[N+](=O)[O-])cc1	409224869	NEOPBFVBDQHQQL-DXJNIWACSA-N	536.544	5.068	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccccc3)cc2)c1	409225023	LPAWOBPGWTVPQJ-YKQZZPSBSA-N	522.517	5.139	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409227264	YRZFBUXTPHCALK-UHFFFAOYSA-N	607.406	6.146	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2Br)cc1	409231669	FGDFMZFUIYSWBD-WQFTWXBESA-N	554.282	6.883	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409261909	FWJXNUVBDMTTKQ-UDWIEESQSA-N	534.410	5.638	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC	409311411	GHKJAWYJAKYYOW-UHBFCERESA-N	631.467	5.187	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OC	409313573	CFLQKXFDHOORKB-QDTIIGTASA-N	516.381	5.100	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1OC	409314445	GENXTWJSLUCLFU-NUJZUDFISA-N	519.812	6.563	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1OCC	409323065	MMGUXADNKNDFHV-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(I)cc3)c2C)cc1Br	409368642	GBLCSIQXXJEXLG-ODLFYWEKSA-N	517.208	6.834	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccccc2)cc1	409370831	UNJUQFSORRAPFL-FZPRHHONSA-N	661.405	6.676	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409372251	DBQIFDWXWVPAJG-XKZIYDEJSA-N	518.444	7.949	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2C#N)c(OC)c1	409372778	JWDZDYIMCZBWBD-WCMJOSRZSA-N	544.405	5.834	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409394811	GDUNYOQSRFTXPW-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)cc1	409395427	NKLBONBQFRJQBR-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409395864	SOQAFDIXVYRWLX-UHFFFAOYSA-N	730.638	8.759	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)[nH]c12	409396345	XVSBEDMQWIHEHI-UHFFFAOYSA-N	556.416	6.736	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3ccc(F)cc3)o2)cc1	409401613	HSUSHQSJCWQUBX-QJOVZPHJSA-N	580.660	6.814	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	575232215	FYIGZTWCDLZWHA-LBUIIUJISA-N	500.840	8.465	50	40	KKGB	in-vitro
COc1cc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccccc1	1440869	PDPGJGYNDKECFL-NGQVCNFZSA-N	520.633	5.245	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)cc1	2672757	CRZNOVVKFQEIEH-LHLOQNFPSA-N	558.613	7.202	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	13512903	SWGHYTCSVZYUBF-ZWUNQBBJSA-N	519.736	7.793	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1cccs1	20060764	ULNAILPZCXTQNM-VULFUBBASA-N	515.966	5.156	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc(Br)cc1	28350986	JRZUVKBFFQFRRV-VEILYXNESA-N	507.457	5.788	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1cccc(Br)c1	32576862	YYDGRBOLDYTSKT-ZMFRSBBQSA-N	513.848	5.743	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(Br)cc1	59335093	HSQAWUYIGPGUGT-HAHDFKILSA-N	517.423	6.619	50	40	KKGB	
C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965700	CHIGNNBPACBVER-QNVXDBMFSA-N	555.450	5.234	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(N)=C(C#N)[C@@H]2c1ccccc1	98006254	BVTHKIJDXNWYEB-QFIPXVFZSA-N	567.662	6.790	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	100042327	OMBSQXSTOXIQIO-INMVOKNASA-N	567.985	5.209	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(Br)c(C)o2)cc1)S(=O)(=O)c1ccccc1	100100827	WUHVCYQMBKWGMQ-OKCVXOCRSA-N	600.922	6.472	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(F)c1	100253707	QXNFKTSPKBYNHW-LUOAPIJWSA-N	531.725	5.364	50	40	KKGB	
Cc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)o2)cc1	100749435	OKTJTTQLCVQVMN-SMCANUKXSA-N	608.702	6.055	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)N2CCCc3ccccc32)N1	101043209	XZVMDOWBLRQKED-MHZLTWQESA-N	545.064	5.980	50	40	KKGB	
Fc1ccc(COc2ccc(CNCCSSCCNCc3ccc(OCc4ccc(F)cc4)cc3)cc2)cc1	102431331	KJDBFRPUHDQMCO-UHFFFAOYSA-N	580.766	7.384	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	105116116	WMJNQPFBHVGRON-YBFXNURJSA-N	530.249	7.443	50	40	KKGB	
CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341706	USCJZVMXZFBXEF-OAHLLOKOSA-N	756.363	11.891	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342082	WBKTVLPEMCRPQX-REOHCLBHSA-N	842.037	10.293	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	150426887	XBWOWSNJACVMAZ-RPPGKUMJSA-N	675.102	6.310	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	164696392	FHKZLPUERWXRIF-ONUIUJJFSA-N	631.368	7.200	50	40	KKGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)cc1	229596888	ARVQVDZJCBAPMF-NPRXTFJLSA-N	581.345	5.587	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253497743	IDKDEJKAOLGAAX-HARZOLGZSA-N	604.619	6.173	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1	408538433	MUNSMKTYPJCKGK-LFVJCYFKSA-N	541.003	6.758	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)ccc1OCc1ccccc1	408539852	ZMVYRTBUDNTURC-VULFUBBASA-N	676.405	8.541	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408541709	HIIJBFDOHAUWJL-ATZGPIRCSA-N	669.370	6.935	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OCc1ccc(Cl)cc1Cl	408552109	HIWMYNOMMVVVIU-CIAFOILYSA-N	578.521	7.667	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408552628	RQWYSCOKMIHSFB-BOPFTXTBSA-N	526.376	5.574	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408570966	ZWEAKVNPFFNPOP-WKULSOCRSA-N	632.558	6.343	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1cccc2ccccc12	408578677	AIJFUEKXGDFJII-CIAFOILYSA-N	553.283	8.951	50	40	KKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)c1	408611748	RZZTUEBANCVREW-LGJNPRDNSA-N	500.780	5.079	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc(I)cc1	408740835	IKRNCPIQQDEYMO-RQXXSLPSSA-N	660.559	8.587	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc2ccccc12	408759743	KRACNAVWYALBQR-KOEQRZSOSA-N	533.425	7.880	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OC	408760510	ZVJAKSOQCPHASA-IZZDOVSWSA-N	503.123	5.161	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1cccc2ccccc12	408767069	VKILCEHJQLHWIQ-YZSQISJMSA-N	577.478	8.279	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408789116	OBLJGYASJSHZIE-AWNIVKPZSA-N	575.186	5.094	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccccc1	408794173	HTZFAMPVOOLBAN-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(Br)cc1	408811743	LWHKHTVRXGOFLU-WQRHYEAKSA-N	529.793	6.765	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1c(C)ccc2ccccc12	408818969	ZDWPBCOUXNNMFC-FYJGNVAPSA-N	561.863	7.697	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408819586	ZLNMCDXFVHOHRX-CIAFOILYSA-N	521.411	6.295	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408822514	AZSPVBRCDCXZAB-WPWMEQJKSA-N	667.987	9.276	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408824565	RAQBWKQJQWWZHQ-MTDXEUNCSA-N	773.465	9.618	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCc1cccc2ccccc12	408824995	IORSGQNXRIVDSJ-WSDLNYQXSA-N	668.915	7.638	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OC(C)C	408827931	LCZYDUSUNJEKGN-FYJGNVAPSA-N	569.883	7.413	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408830697	SNIJZRXDRZYBDO-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(Cl)c4)cc3)cs2)cc1	408838479	FRGYSEDLSSCTMJ-AABVJFSESA-N	632.529	8.420	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408838826	IYEKFTNWMBRUCM-CHSHITCJSA-N	657.623	9.331	50	40	KKGB	
COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	408839188	OLYDZVDKGICVHU-XODNFHPESA-N	511.434	6.941	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408839642	BNPHYYHZWLTZJM-KULFSUQXSA-N	653.404	7.666	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)c4ccc(Cl)cc4)c3C)sc3c2CCCC3)cc1	408846398	KESOMTOFQCQIAF-ULJHMMPZSA-N	526.105	8.313	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408847516	SMJPOUYSCLEXJX-KBVAKVRCSA-N	576.834	6.338	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1	408847714	OGHHLXADSVVWNU-PGMHBOJBSA-N	566.466	6.523	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC	408849079	YPMDCBHMAJTSQT-ATZGPIRCSA-N	677.464	5.619	50	40	KKGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408850148	GXCDVSMISOFROO-LQNQUEJISA-N	628.308	6.982	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)c(Br)cc1OCc1ccc(Cl)cc1	408850476	NZDGWJRVDJKOKX-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408850546	BSLDBCPKNBTLMO-FXMZOFOKSA-N	597.090	7.608	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc(C)c1OCc1ccc(Br)cc1	408853739	XHARZQPLCAIENM-RPPGKUMJSA-N	579.232	5.719	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cc(Cl)ccc2C)cc1	408868403	OLOQCHFHFHDATR-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408879670	DMGCUIOQYSQKPY-MZJWZYIUSA-N	595.129	6.636	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(OC)cc1	408880063	ISAATPPSYKQQCV-LDADJPATSA-N	521.913	5.420	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408885606	CTKJHASRJLUNIG-LICLKQGHSA-N	519.292	6.732	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408890344	RQSGWDPEBWZLAZ-WVKHYPTHSA-N	673.648	8.604	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408890893	IBSHJMJEKBIWBC-FYJGNVAPSA-N	616.477	5.929	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccc(Br)cc1	408895525	LAJCCDBIMDMUAX-XDHOZWIPSA-N	511.803	6.544	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408903875	ATEMIJKNZMENAT-WKIKZPBSSA-N	653.271	6.404	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2F)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904024	CMDBARGPDANCFP-ZRGSRPPYSA-N	512.291	5.586	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(OC)c1	408923780	MBPKIKASAUAUGJ-YPLUWGEXSA-N	671.932	5.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1cccc(C)c1	408925533	UOKRJCGEGIVLKV-XODNFHPESA-N	536.253	6.806	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C	408940871	DBUHUFYEFQJQDX-XIFFEERXSA-N	698.827	6.039	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccccc1F	408946384	MPFTXGWSHFCJBJ-JGCGQSQUSA-N	660.768	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)c(OCC)c1	408951031	SYGYCLKVSHJBSI-SSEXGKCCSA-N	637.158	5.203	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c([N+](=O)[O-])c2)c(OC)c1	408956511	QRFUWRXKVFEONL-KVNFINCSSA-N	775.407	5.428	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc(Br)cc1	408996524	INTLTLADKNCKJS-WKULSOCRSA-N	611.246	6.040	50	40	KKGB	
O=C(COc1cccc2ccccc12)N/N=C\c1ccc(OCc2ccc(I)cc2)cc1	408996754	NANOYWJSAKQPKY-NTFVMDSBSA-N	536.369	5.553	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409003756	URRCHIUMKIFRNL-QEXGXPKMSA-N	630.916	5.945	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1	409044890	DBUWGEYOBMRAPG-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1cccc(C)c1	409048636	TYGUKJXGLZMXOQ-UDWIEESQSA-N	581.410	5.480	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	409063666	DICNUDLROFQEHB-RIYZIHGNSA-N	631.129	6.832	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	409082826	UBKKIMZKQZTMBM-RPPGKUMJSA-N	546.215	5.212	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc(I)cc2)c(Br)c1)OCO3	409100921	XFWONULGVMWZPA-HSZRJFAPSA-N	603.210	5.580	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)C2=C1CC(C)(C)CC2=O	409122790	BPDLHTHXXVWQNU-HHHXNRCGSA-N	580.523	5.728	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1	409125263	LLXSMDRTGJKYBO-HNSNBQBZSA-N	592.117	5.966	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)c2cccc(Cl)c2)cc1	409133297	QAFHWTRPBMNFGZ-NDZAJKAJSA-N	550.036	5.487	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C2=C1CC(C)(C)CC2=O	409141793	KBUBCHXSBOTPRS-SANMLTNESA-N	638.506	5.133	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)cc1	409159195	ZHOGDAHEGGVQMU-KPGMTVGESA-N	601.487	5.596	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)c1	409225977	RXLJNPITYVICRW-ZMGVVAQMSA-N	591.407	6.445	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccccc1C#N	409246017	CNCSLFFTTHLTTR-MYYYXRDXSA-N	544.449	5.954	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409260625	SYGUVAPJGHXADO-AEUUOICLSA-N	626.138	7.306	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	409267996	XQAFTMHFMQXENY-MHWRWJLKSA-N	578.772	6.684	50	40	KKGB	
Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2)c1	409273458	YGINWLFBWKRYGL-FABQOPTDSA-N	596.112	7.297	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)cc1OC	409309572	JDWRSEXMDDWFPV-KYHGBAKBSA-N	624.329	7.281	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409309966	OPYQBPSMFQLKOD-FCHUYYIVSA-N	562.475	5.119	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCc1ccccc1Cl	409311980	IKKDVELSGQVRLR-HQDYHJHZSA-N	670.931	7.274	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)ccc1OCc1ccccc1	409316851	MUNJIGPQOZXOBS-KYHGBAKBSA-N	563.423	6.519	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC	409317622	RGHCSGFNBYXSPZ-VYYCAZPPSA-N	601.366	5.404	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OCC	409321022	RIPBOEPINCUZOB-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)[C@@H](O)c1ccccc1	409354309	BUNYXSKLJUOQKX-YGFNIOOWSA-N	508.199	5.519	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409354747	BQAGUXXLHMLXLK-BRJLIKDPSA-N	563.202	5.471	50	40	KKGB	
O=C(NNC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1ccc(NC(=O)c2ccccc2)cc1	409369942	HZCDGZFYWSMRRB-FTJBHMTQSA-N	731.558	5.273	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)ccc1OCc1ccc(I)cc1	409370979	BFEJSSJRKJVRFP-MXAYSNPKSA-N	594.203	5.234	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	409387321	PVOKQGDWZZGZKA-VHFSBPNMSA-N	656.164	7.314	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1Br	409392738	RONKOCPOZPOXQN-WCMJOSRZSA-N	513.395	5.615	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)c1	409395168	KOTBRJVXQRUXAG-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409396702	AGSWMKFKSQENER-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)c1	409397936	PPQNXIACRUXLNF-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3ccc(C(=O)O)cc3)o2)cc1	409405001	RRHHCIOOFGKWGZ-QJOVZPHJSA-N	606.679	6.373	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(C(=O)O)cc3)o2)cc1	409406384	WLTIIUMHIOYBEL-QMRORBIVSA-N	687.503	6.978	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc(C(=O)OCC)cc2)ccc2ccccc12	1529548501	HRCCZGSCKKBAIY-UKNBHNOCSA-N	680.783	5.481	50	40	KKGB	
C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@@H]3[C@@H]([C@](C)(CC[C@@H](OO)C(=C)C)O[C@@H]4O[C@@H](COC(C)=O)[C@H](O)[C@H]4O)CC[C@]32C)[C@@]1(C)CCC(=O)O	1534690828	JZASRXZWIPRQHB-MNIHNANESA-N	680.876	5.263	50	40	KKGB	
C/C(=N\NC(=O)c1csc2ccccc12)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	20159556	QMEKJVRAAZPLAB-KNBZMSCYSA-N	505.415	5.827	50	40	KKGB	
N#CC1=C(N)OC2=C([C@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc12	20558263	RDEVQJKUVYQPMO-QFIPXVFZSA-N	509.509	5.232	50	40	KKGB	
COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OCc1ccccc1Cl	53277204	JGNSUPZDGKHDLF-QGMBQPNBSA-N	547.840	6.699	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	59222091	ZECXZCYHWRBFJH-AQTBWJFISA-N	527.396	5.080	50	40	KKGB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S	97945928	FWQSFSKFNXBZPY-BMJUYKDLSA-N	679.698	5.804	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	97959139	QWBOVNGLICCAIT-ZLEQYAOTSA-N	582.827	6.557	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999377	CEUSPOMKNKZYSL-HHHXNRCGSA-N	588.711	5.528	50	40	KKGB	
CC1(C)C(=O)[C@@](C)([C@H](Br)C(=O)c2ccc(Cl)cc2)C(=O)O[C@@H]1c1ccc(Br)cc1	98005071	ADXWRPVULOFEOR-JBYIUTFZSA-N	542.651	5.948	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	100235845	WDCLZXFIOMTHDS-SGWCAAJKSA-N	538.607	7.828	50	40	KKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c([N+](=O)[O-])c1	100751023	NJVFACLDPAGBNA-JLHYYAGUSA-N	525.340	5.572	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccccc1F	102719413	HBCDHWBLQXXNQF-LJAQVGFWSA-N	556.663	6.158	50	40	KKGB	
FC(F)(F)c1cccc(N=P(c2ccc3c(c2)OCCO3)(c2ccc3c(c2)OCCO3)c2cccc3c2OCCO3)c1	102856203	NNSLUHAQSWPRTD-UHFFFAOYSA-N	595.510	5.828	50	40	KKGB	
CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(OC)c2)N[C@]1(O)c1ccccc1	102890816	GWCUINQNOSDHLP-DURBRWELSA-N	578.090	5.167	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)cc2)cc1	102995157	VQPHJOARNCCVGK-UHFFFAOYSA-N	582.103	5.517	50	40	KKGB	
O=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	102995332	PPZWNPVIJNYPAB-UHFFFAOYSA-N	614.905	5.557	50	40	KKGB	
COc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C(\C)c3ccc4ccccc4c3)n2-c2ccccc2)cc1	103254242	TXFNHFRVPYVRMI-OQBLXMOZSA-N	550.688	6.062	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccccc1C#N	103890961	XBCSSFJTXKBEPL-UCQKPKSFSA-N	532.427	7.117	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)cc1	104013825	RKGDMEULJVIFTK-WJOKGBTCSA-N	578.694	6.865	50	40	KKGB	
CC1(C)CC[P@+](CCC[P@+]2(c3ccccc3)CCC(C)(C)c3ccccc32)(c2ccccc2)c2ccccc21	104216728	UQZXRBHVHKHGPS-LJEWAXOPSA-N	550.707	8.076	50	40	KKGB	
CC(C)(C)[Si](C)(C)Oc1ccc2cc3c(cc2c1)C(=O)c1cc2cc(O[Si](C)(C)C(C)(C)C)ccc2cc1C3=O	196231295	MJHDATZVTUQURO-UHFFFAOYSA-N	568.862	9.536	50	40	KKGB	
Cc1cc(NCC(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)ccc1I	254407581	SNJUCJVLZNXQKW-UHFFFAOYSA-N	578.248	5.503	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OCC)c3)cc2OC)ccc1OCc1ccccc1	408539935	KRJFNHMLXZQVTA-UUKRNIFRSA-N	695.212	8.647	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccccc1	408541856	IBRXXBVTUVJXMK-JAIQZWGSSA-N	568.367	5.513	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)c(C#N)c1C	408546328	GTKBCGGLZOVBGA-HYARGMPZSA-N	538.600	6.695	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12)Nc1ccc(Cl)c(Cl)c1	408552928	LSOVMDRJHOYKBH-CPDSRJINSA-N	526.807	6.581	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408640340	ASXSTAVFWDIDPX-SFUHOGEXSA-N	622.741	5.137	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408659069	VMTAXRPZZPEQDU-BRORTUQTSA-N	643.954	7.123	50	40	KKGB	
COc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@H](Br)c2cccc([N+](=O)[O-])c2)cc1OC	408668174	CTDBYSBZQCFGMQ-FYYLOGMGSA-N	514.328	5.157	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C#N)cc3)c(OCC)c2)cc1	408711921	QQCRHVWAGPPBPM-OCSSWDANSA-N	536.426	5.390	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl	408726902	WKOSDXJLSOINDG-WQRHYEAKSA-N	501.797	7.170	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408744908	NZHQNLBPWXDGNY-MOSHPQCFSA-N	568.367	5.513	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc4c(c3)OCO4)cc2Br)ccc1I	408746505	DVZCIULLMIFSMH-LUOAPIJWSA-N	639.240	5.143	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408771819	IHWVBMOETQOZLO-JWGURIENSA-N	547.409	5.192	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408779014	OXHKMVSZGOTARX-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408786201	GXSXWLCMMDSQHM-BKUYFWCQSA-N	548.477	7.786	50	40	KKGB	
COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I	408799538	ZOQVERJNZZJHMU-VGOFMYFVSA-N	558.157	5.067	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc3ccccc23)cc1	408807100	CBHUZUWCMIBAAE-IWIPYMOSSA-N	527.418	6.413	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(C)(=O)=O	408825741	FUIRIMUQOYPUQM-VVEOGCPPSA-N	659.386	5.577	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408827483	JVBPXVBNNBFAKU-CPBCUTPGSA-N	602.765	7.628	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1	408829314	FMHINRLWOXQYFD-OEAKJJBVSA-N	577.439	7.845	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408831318	VAZAIPJVWXTIHT-IPPBACCNSA-N	608.942	5.223	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408833501	RQDNUDFQDPRJEH-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408835198	NAXDIGZKUGCOGF-ZHZULCJRSA-N	600.911	7.177	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)o2)cc1	408836919	WYVMGUZDFORQBK-BWAHOGKJSA-N	608.547	6.552	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408839246	PJGGWJWVBGXKQB-KULFSUQXSA-N	743.454	9.207	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	408840763	ZZIOMQXOQOBJIY-HUMNLGMNSA-N	558.421	6.628	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1cccc(C)c1	408843542	LYZOPWMAPBFHPY-FMFFXOCNSA-N	535.600	5.938	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1Cc1cccc(F)c1	408864928	ACOQFCOSHOTDFT-SRZZPIQSSA-N	507.403	6.740	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	408868985	QVAZFSSKNDCGET-CPNJWEJPSA-N	541.356	8.290	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(C)c1	408869990	UQZOTGVORCHIRR-VXLYETTFSA-N	500.904	6.801	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(C)c(Cl)c2)cc1	408873315	SSIRYVWDDLVLHQ-QLQYKETESA-N	612.151	7.035	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408882907	OOXWSWZOWYDFJN-CIAFOILYSA-N	550.964	7.954	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	408883670	UIRXLNVTJQICDZ-IBBHUPRXSA-N	586.269	7.291	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1c(Cl)cccc1Cl	408886909	JUGBZUYCSRANFG-DEDYPNTBSA-N	552.255	8.034	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1OCc1ccc(Br)cc1	408887618	POAQNURPBRHOPI-LDADJPATSA-N	589.227	6.187	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccc2ccccc12	408888160	SVYRIYYQQUJVEW-OEAKJJBVSA-N	526.976	6.715	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)c(Br)c1	408899183	ZRROPTZDGLUGQR-HYARGMPZSA-N	576.288	7.798	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Br)c1	408926668	XIHMTXDBCNYVEZ-RPPGKUMJSA-N	536.651	6.516	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2Br)cc1	408947715	CZYOYGIIRLRIQN-HMAPJEAMSA-N	557.448	5.522	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1	408980398	QRTYGXAGGJWVLP-QFMYPOKUSA-N	540.667	6.773	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2Br)c1	408982591	ICLPWONKFOSDEL-GRSHGNNSSA-N	530.249	7.497	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5Cl)cc4s3)c([N+](=O)[O-])c2)c1	408987959	CDZADESACXIHQR-KGENOOAVSA-N	640.146	8.424	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2I)cc1	408999002	RCBJAXRUNLAVGW-KBKYJPHKSA-N	660.633	5.590	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	409002640	OUWVOLAUEPZQES-PMOPRMPASA-N	590.507	6.983	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	409011083	DNDQBWNZJAUNPE-BRIHITDKSA-N	692.596	6.737	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Cl)cc1Cl	409011161	DYUCTASQBKPSTR-CBTRBREXSA-N	519.256	5.749	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12	409018313	UMXHLCUPYDHVHP-HYXXCGHRSA-N	636.576	7.183	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c1	409023384	TUOYNLGGSKNMLJ-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1cccc(F)c1	409041437	VVYKIRFFEJXEKW-KMUKQRDJSA-N	645.472	7.387	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1)c1nc2ccccc2[nH]1	409068949	SWNLXBBGLYPOOX-RQZCQDPDSA-N	553.210	6.429	50	40	KKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	409119726	QODMHLFPPBORCP-IPBVOBEMSA-N	528.288	7.263	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409134994	QNLSTVUVUCHNJM-ALQBTCKLSA-N	655.560	5.755	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccccc1	409144588	LSCWIETXOACKQG-WYMPLXKRSA-N	627.176	5.147	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409165717	BABXTRMUVNKMBE-PNQUVVCRSA-N	598.270	5.805	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)c1	409185472	LSMWCESNCJHVIN-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1cccc(F)c1	409194539	OWGJWKGFWQBSIX-ZDLGFXPLSA-N	534.369	5.374	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c1C#N	409205941	RONOVZLWRTZIDX-PMNVOCJDSA-N	596.485	5.856	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Cl)cc2)cc1	409219670	SXRBFJZTSSZDDE-MNBJERMJSA-N	556.962	5.413	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1cccc2ccccc12	409232062	GUHFRTWHDOOOQI-LJUMEUDFSA-N	582.413	6.254	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1OC	409332539	HAKNVMBBHKVYRU-LQNQUEJISA-N	533.422	6.353	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409365731	WPXUIVFJWUPFDF-UNOMPAQXSA-N	551.958	5.228	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	409373768	UUJSKKMCQVMDCR-IBBHUPRXSA-N	593.275	6.588	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Br	409374049	XQQMHEQXRRXOGV-RPPGKUMJSA-N	564.230	5.079	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1	409387913	YIQGGHMTVBVVMA-LGJNPRDNSA-N	524.396	6.223	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	409391693	KSWIKOVOIHOBQO-IPHFVPNQSA-N	626.494	7.314	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409394439	AJFBUADXSJSVGY-UHFFFAOYSA-N	845.635	9.620	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409395052	JGGPTXBIJMBFAG-UHFFFAOYSA-N	620.425	7.908	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccccc1Cl	409395229	LFYCJTHPOODJPZ-UHFFFAOYSA-N	719.739	9.015	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)[nH]c12	409395668	QMKZLYMAVMWODK-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409396996	DVJHYBRITXMYOT-UHFFFAOYSA-N	701.788	8.558	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397288	IIFZEXKXNDBIQP-UHFFFAOYSA-N	717.869	8.103	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409397478	KHMPRWQHKMMCHH-UHFFFAOYSA-N	586.019	7.018	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC#N	409402241	JIJUMYCJYGSLOB-KYHGBAKBSA-N	591.462	6.094	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4ccccc4F)c4ccccc34)o2)cc1	409407470	ZWAYOPPRPASYAF-WBIBEUCMSA-N	560.629	7.172	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)CC)CC[C@]4(C)[C@@H]3CC[C@]12C	504638848	QPRLUWUASKOVRZ-NQBVPGRESA-N	507.268	9.962	50	40	KKGB	
O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	885164038	DRXWJAWPDWYCCL-UHFFFAOYSA-N	774.133	8.210	50	40	KKGB	
O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1cccc(Cl)c1	2096735	BRUKHGNEKKHWEA-KBVAKVRCSA-N	527.053	5.928	50	40	KKGB	
N#C/C(=C(/C=C(\CC(=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	2597581	RZESJTSGYIQQFP-DFNITTPMSA-N	506.508	7.664	50	40	KKGB	
CC(=O)c1ccc(NC(=O)[C@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1	2667733	OSFBWDWTEGNTAL-VHSSKADRSA-N	522.075	5.514	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1	8452635	HGNLNMFLYRPSHC-AMVVHIIESA-N	601.885	5.224	50	40	KKGB	
C/C(=N/NC(=O)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)n1)c1ccc(Cl)cc1	8770049	XXROMXXZXIZHEP-CNCDYAKUSA-N	539.970	6.975	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	9323095	VCXPAZJKNMKXNK-RPPGKUMJSA-N	504.377	5.087	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@H]1c1ccc(C)cc1	20131361	JNETWVDSFYMRPB-RUZDIDTESA-N	508.043	5.754	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCCC1	27021243	IMXUBXAGMOXSAO-LHLOQNFPSA-N	502.618	6.474	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1c(Cl)cccc1Cl	33733405	SDQZYUXOKASLTB-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Br)cc1	59201061	FNNYCXRYPRYFIO-PXLXIMEGSA-N	505.412	6.535	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1	59598812	PWOSZRWWJCIDQZ-MZJWZYIUSA-N	516.823	6.544	50	40	KKGB	
C/C(=N\NC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965764	LTKBSQAKKGVLCI-QILCKVHPSA-N	574.305	7.134	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCC(=O)N/N=C/c1c(O)ccc2ccccc12	97966436	ONDPLMHQXUISSY-HDQUPXCUSA-N	663.562	7.053	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(Cl)c3C)=C(C#N)[C@H]2c2ccco2)c1	98048495	WOZXHOCVYMQIDP-MHZLTWQESA-N	579.078	5.965	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(OC)cc3)=C(C)N2)cc1	98048503	ONZDZWCSDKSDQR-SANMLTNESA-N	530.606	5.003	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(Cl)cc2C)cc1	100122566	ONHZJUBXRAUNFF-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)cc2)CC1	100290288	JTHDJDRLSPDVIZ-JEPNHJGPSA-N	590.555	6.496	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)c(OC)c3)nnc2-c2cccnc2)cc1	100859830	GMEXIEQMABCCCM-ALQBTCKLSA-N	594.697	5.558	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	101554870	OEZNSCIIVVTQBR-LJAQVGFWSA-N	572.130	7.077	50	40	KKGB	
CCCCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3Cl)N(c3ccccc3)C2=O)cc1	102666473	PWZIQCQFTRSELV-GDJOMKKCSA-N	550.511	7.401	50	40	KKGB	
C[C@@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccc(Oc5ccc(C(C)(C)C)cc5)c([N+](=O)[O-])c4)[nH]c(=O)c23)C1	102988834	IUFZVVGUPMEKRF-GMYFBSLISA-N	540.645	7.172	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1OCc1ccc(Br)cc1	112255063	DKOJATCXTBMZLT-BRJLIKDPSA-N	583.220	5.697	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	112255484	XTRIWOOMKGYUSX-AVQJHCKASA-N	543.598	5.111	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	150434805	TZFUGBWNJSFOOR-HUQNGGHASA-N	660.104	7.547	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	150490528	VXSRTEYZQISWGV-FZPRHHONSA-N	645.565	5.772	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408540875	CGYWRFJRBKGLDF-ZDLGFXPLSA-N	511.759	5.925	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl	408541331	ZCTUNRRZIIXELM-UCMJSZAQSA-N	557.518	8.084	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550254	CBLZXRKMEIUGEN-PDGQHHTCSA-N	540.403	5.964	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552702	UTLZGPTXRFBTBD-YDZHTSKRSA-N	615.496	7.381	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408555070	VGBUVUAIJDUZNM-NVNXTCNLSA-N	579.665	6.972	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408569766	PVCHRXPMEKJHMY-PNQUVVCRSA-N	691.294	8.105	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408638374	CIYKQHZRMDRGMQ-BDXSIMOUSA-N	647.147	5.164	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccccc2)cc1	408651144	NBENIOHIJOPPCD-XMWSTLINSA-N	714.794	5.577	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc(N2CCCC2)cc1	408676149	GGERNUMQODMPMJ-KCSSXMTESA-N	701.346	6.992	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408680211	FYWCUSAKHRSITG-IXFQNSDBSA-N	646.119	5.237	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)ccc(Br)c1Cl	408682350	GCRCXIXBKVMECH-WVWDFQOXSA-N	614.707	5.177	50	40	KKGB	
O=C(Nc1ccc(Oc2ccccc2-c2ccccc2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408687738	UULRMYGQQSSBDG-HITKPJKISA-N	504.380	5.655	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)nn2-c2ccccc2C)cc1	408723929	AOKCIQDQRMRKSF-QXUDOOCXSA-N	535.047	7.152	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408724588	CASPRAZECVLDIU-NVMNQCDNSA-N	593.248	7.040	50	40	KKGB	
CNc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1I	408739764	AENGCJSYOKRMBL-QPSGOUHRSA-N	573.987	5.008	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccc(Br)cc1	408746715	GCKHLTAVNYURJY-NVMNQCDNSA-N	710.107	6.655	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408749327	FTJMOPGTWHCHBA-FDAWAROLSA-N	590.430	5.331	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccccc1C#N	408753111	HUSGWIUIMFJXSS-OCKHKDLRSA-N	567.237	6.217	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(I)c1OC(C)=O	408756814	XPTBUILUEOILJA-VXLYETTFSA-N	526.330	5.314	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12	408758842	SGNCKXGRZROVPV-XSCOCXMISA-N	652.611	6.342	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1	408760141	SGTRPPFEQRIGIK-SFQUDFHCSA-N	576.266	5.833	50	40	KKGB	
N#C/C(=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl	408760901	AUQZUQKPYUVNOF-PGMHBOJBSA-N	537.402	8.065	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(I)c1	408763002	QTGGBBYFAQFPQV-XNTDXEJSSA-N	563.178	6.363	50	40	KKGB	
CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408764379	MPVUKYQBQSLGEO-RWPZCVJISA-N	517.464	5.758	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408788087	AXVTXTBNLNNPIT-SRZZPIQSSA-N	597.409	6.340	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1C#N	408792255	AEOUDIRQFFHNNQ-FSJBWODESA-N	530.422	6.461	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(F)cc1	408797749	STYUQVIQFZLZOJ-BUVRLJJBSA-N	634.445	7.143	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OCC)c1OCc1ccc(Cl)cc1	408798286	VVYYGHAHETYNNH-FYJGNVAPSA-N	541.862	7.899	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c(C)c1	408801861	WCKBQIPDUKBAJS-XQNSMLJCSA-N	511.419	7.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(C)c(C)c1	408803389	OGWNSNMUUYWNIJ-ZMOGYAJESA-N	580.466	7.048	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408817880	OGKNGNZCUYEAIV-OPVMPGTRSA-N	697.061	5.110	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)c1ccccc1	408829212	LBIJMUBJULYVGZ-NHJSYSFXSA-N	592.721	5.481	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OC(C)C	408830350	PEGQLSHRNPSOEV-FYJGNVAPSA-N	569.883	7.413	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2ccc(C)cc2C)cc1	408837516	HOSIEWHHTISEFW-FDAWAROLSA-N	511.647	5.209	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)/C=C/c1ccccc1	408844347	NNNHAPLTAYWYCQ-XZFGXJNNSA-N	563.610	5.729	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(C)c1	408848347	YBUCZNZKQDVPQE-MWLSYYOVSA-N	503.396	6.575	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	408858808	PSRAKOGKFHSFIB-FABQOPTDSA-N	727.590	5.616	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	408861728	CFXVYEYXALTPCO-ATZGPIRCSA-N	629.497	5.496	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(OC)c1	408868917	PXNIVUHBTCKYJK-CNHKJKLMSA-N	566.268	7.120	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408872940	LOPDMVGDFHRMOX-WOJGMQOQSA-N	530.647	7.001	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1c(C)ccc2ccccc12	408875163	GNCBZAJNTSUCAE-PCLIKHOPSA-N	616.499	7.839	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(=O)c1ccccc1	408879121	FOBDVBIAHUQVAK-GZTJUZNOSA-N	522.311	5.131	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408879885	FWMMOJIQKLQIDC-GIDUJCDVSA-N	537.186	7.333	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922873	HEQQRBXAQRGTBQ-CXUHLZMHSA-N	639.311	6.036	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc(Cl)cc2)c(OC)c1	408948219	CJCBCXOXBUFQPZ-VOSMKULASA-N	858.855	5.857	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCc2ccccc2Cl)c(OC)c1	408955763	PFQCNFXCYWWBDC-OEISHWKDSA-N	762.985	5.261	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCCOCCOc2ccccc2C)c1	408969027	FZQYAEJQGDQPOK-HAVVHWLPSA-N	535.438	6.086	50	40	KKGB	
Cc1ccc(OCCOCCOc2cccc(/C=C(\C#N)c3nnc(NC(=O)c4ccccc4)s3)c2)cc1C	408973150	SGYHKNHLQZNHTB-XIEYBQDHSA-N	540.645	5.946	50	40	KKGB	
CCCOc1ccc(Cl)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408974416	YXKYQORJJZJUPX-XJUVKUJYSA-N	542.891	5.884	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c2ccccc2)cc1	408979953	OWFKJVWYESAORE-QXPVHXGPSA-N	656.602	7.050	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c(C)c1	408996062	KUJQUVKJRXGTRE-JMIUGGIZSA-N	678.264	6.336	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008547	XPXPLGDWVBKUSE-YUMHPJSZSA-N	569.702	5.336	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1	409049074	VXCLIXTWKGFAHP-LGJNPRDNSA-N	519.770	5.086	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)Cc2ccccc2Cl)cc1	409067529	YRYZGLHHKZQYOI-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409077987	HAJDCEBTVSFEJZ-CPNJWEJPSA-N	530.493	5.674	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409078116	GRFMLIJYQKOCSS-ORBVJSQLSA-N	615.105	6.519	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409091247	SAZAAENYMNDAGD-HYARGMPZSA-N	542.548	6.585	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccc(C)cc1	409106368	MZTZSPWMQIXYLX-VWLOTQADSA-N	582.394	5.524	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)OCO3	409108876	YPGAWLVKTOFUPW-JOCHJYFZSA-N	501.753	6.173	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccccc1O	409122502	ZYJDRCWXTMCIKO-DXJNIWACSA-N	547.596	6.340	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409203177	VPMMQLJPINTWIQ-KVSWJAHQSA-N	502.854	6.892	50	40	KKGB	
N#C/C(=C/c1cc(I)c(O)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409231893	LQPBBJXNGCBPFP-WMZJFQQLSA-N	584.073	5.166	50	40	KKGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409245091	NGKXWEIZCWXAKZ-DHRITJCHSA-N	582.236	5.563	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409248731	IFVWPRFUGWYGNH-WCEBZYJUSA-N	536.382	5.729	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(O)cc1	409252655	CYVLWJVLUUAHIM-OQLLNIDSSA-N	516.768	5.916	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)c(Br)c1	409313444	CANQCARGRXPPSA-HNNXBMFYSA-N	535.261	5.231	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)ccc1OC	409320742	RACDQKQLJHLAIW-VYYCAZPPSA-N	501.352	5.338	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OC	409322426	XAVLNDXZFKQULD-UHBFCERESA-N	631.467	5.187	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371837	QMVOKCICMLZKAZ-JJFYIABZSA-N	658.233	7.600	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2cccc(C(=O)O)c2)c(OC)c1	409373267	POASAOQEDIMEHV-FJEPWZHXSA-N	610.404	5.503	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409398016	QCHHSOIFEMRGOU-UHFFFAOYSA-N	657.337	8.449	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409398563	UOEPYRGUHRJCMM-UHFFFAOYSA-N	572.404	6.854	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409401867	UGRZOFSTNLPWEH-LJUMEUDFSA-N	531.996	5.704	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1	1529547955	SHGZZTPTJBGRGV-MKEMXLLOSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12	1529548730	MWDXHYQLDQRNBH-DQXXXRFYSA-N	658.780	6.457	50	40	KKGB	
CCC[C@@H](CC)OC(=O)NN=Cc1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1	2356096466	REKMPAAKHLVULD-HHHXNRCGSA-N	627.746	5.819	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1nn(CCO)c(N)c1C#N	4118861	MXYRLOJMLAOELD-VIZOYTHASA-N	533.213	5.042	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1nc(Nc2ccc(C)cc2Br)nc(N2CCOCC2)n1	8439253	HTNJQTIZKMOQMH-LTGZKZEYSA-N	639.514	6.264	50	40	KKGB	
O=C(CCC(=O)NNc1c2ccccc2nc2ccccc12)NNc1c2ccccc2nc2ccccc12	9291430	PUVGOPDPNLDKLB-UHFFFAOYSA-N	500.562	5.456	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	12250093	OOLNMNQXTPFRNW-LJAQVGFWSA-N	522.674	6.318	50	40	KKGB	
Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4Cl)cc3)CC(=O)N2C1	12251078	TZVAAVZOQNNNRJ-HSZRJFAPSA-N	502.039	6.447	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1C	12586179	JMQZCDOYYYAELV-VXLYETTFSA-N	500.904	6.801	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/C(Cl)=C\c1ccccc1	13583847	KHAZEJDVGCIJDN-OUDSLWFUSA-N	511.097	6.458	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)c3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)cc1	20188696	CNOXQDXAPUCJRN-NDEPHWFRSA-N	509.631	6.036	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc(Br)c1OCc1ccc(C)cc1	28217749	XCVBOZCEACICSX-FLOSOGMCSA-N	513.457	5.976	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1OC	30735239	MQCOGLXKWRJXRE-KSEXSDGBSA-N	509.078	5.134	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)cc1	58913722	KDGXOCSMAOEEIA-ZCTHSVRISA-N	510.594	5.161	50	40	KKGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	59853298	AVHOEZVUQHSMHP-WKULSOCRSA-N	546.407	5.738	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(OC)c3)=C(C#N)[C@H]2c2ccccc2)cc1	98048554	BZHFIOLUNDIAMJ-GDLZYMKVSA-N	582.682	5.578	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100081497	WGJNSBKDIXMVGE-BIZUNTBRSA-N	563.123	6.217	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100119495	QOBUPDXSBLJUBR-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	100222975	PIQOMFLXCUYLLJ-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1)c1cccc(Cl)c1Cl	100379143	UZPYXLYFXOCVEE-KKMKTNMSSA-N	545.275	6.030	50	40	KKGB	
CCCS/C=C(/NC(=O)c1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100470970	IFIWZCOKXRHUNT-FAJYDZGRSA-O	517.054	7.006	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(O)c(OC)c3)nnc2-c2ccc(Cl)cc2)cc1	100852006	SEGXMHCNQIWSGS-STBIYBPSSA-N	552.056	5.333	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2c(Cl)cccc2Cl)C(=O)N1c1ccccc1C	101068531	IYXXGPXTFAKYEG-PMVZMBLOSA-N	522.457	6.675	50	40	KKGB	
CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)c1	102423416	NTYYREBDFPIFSR-HKBQPEDESA-N	563.679	6.269	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1	102673916	QQPIYUDJYPYGNB-PSWJWLENSA-N	503.605	7.180	50	40	KKGB	
C[C@H](Cl)CN(Cc1ccc2c(O)c(CN(C[C@H](C)Cl)C[C@@H](C)Cl)ccc2c1O)C[C@@H](C)Cl	104049506	ITGSIOPQUIWWIU-USTZCAOPSA-N	524.360	6.364	50	40	KKGB	
CO[C@@](CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1	104106155	KYQVXKIOXJQGNW-PGUFJCEWSA-N	516.621	6.528	50	40	KKGB	
CCCOc1ccc([C@@H](O)[C@@H](CC[C@H](CN(CCCl)CCCl)[C@H](O)c2ccc(OCCC)cc2)CN(CCCl)CCCl)cc1	150405657	VOTQFRADSFRZND-GBWWDHKLSA-N	694.612	7.603	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OCC)c2)cc1	216066593	IYUMJGYNXZVPIC-MUFRIFMGSA-N	637.312	6.584	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1	408536653	AGYYLVOGHQULCG-MTDXEUNCSA-N	597.509	7.229	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccccc3)cc2OC)ccc1OCc1ccccc1	408540274	PLLTXQQKZRXABO-CAQPMQTCSA-N	575.459	6.388	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)c(C#N)c1C	408546255	FNDLRKSWRLUPEH-UDWIEESQSA-N	528.033	6.480	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(C#N)c1C	408547464	XDBNDCMWUFCMPR-VXLYETTFSA-N	562.478	7.133	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1ccc2ccccc2c1	408548686	LEVRSRDESOPQJR-QRVIBDJDSA-N	521.785	7.741	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552975	TWIZNFZFVCJYIC-VXLYETTFSA-N	664.327	7.177	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(Cl)c(Cl)c5)c(Br)c4)cc3)cs2)cc1	408553610	OPGDKDKNUIQIKK-HTVDVWKISA-N	709.453	8.713	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2I)cc1	408566913	BLEALKRYUXHZCW-IPPBACCNSA-N	730.431	6.791	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408569934	RDBWBXICRLMAKF-VVEOGCPPSA-N	642.424	7.351	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408637518	ABXSVILKGJNACR-CARQKBIPSA-N	610.730	5.199	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccs1	408649417	YDFNBPXATSTUQO-CRWXNKLISA-N	623.150	5.217	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1ccccc1	408686497	SQNWCKGFOFGLEI-AHKZPQOWSA-N	573.399	6.392	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)O[C@@H](C(=O)c3ccccc3)[C@@H](Br)c3ccccc3)c2)c1	408686765	SSWFZUNGGBDDTR-XTEPFMGCSA-N	542.429	6.792	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2)cc1	408718031	CUVCIZUYJRRQJD-OKCVXOCRSA-N	632.383	5.501	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1Cl	408724482	AMWRNKWPHKGPFR-RGVLZGJSSA-N	511.803	5.913	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	408746809	VXZSPINJYVZCGT-YVLHZVERSA-N	576.672	6.998	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)ccc1I	408747244	LADYNZWNSVKNHG-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408747416	NPPOJEQXVTWRPL-JAIQZWGSSA-N	522.355	5.168	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I	408747758	SOVKLIPWKFYTND-QPEQYQDCSA-N	681.062	5.146	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(OC)c1	408748408	DBULSHKAJOYGLW-OKCVXOCRSA-N	580.422	6.113	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408758472	KNWFYUOLMQKLPQ-WJDWOHSUSA-N	545.220	6.319	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc2n1Cc1ccc(Br)cc1	408758566	MUBAMXLEOQRWSG-UYRXBGFRSA-N	549.266	7.069	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(I)c1	408763436	DWXNXXUPBHBAMJ-MHWRWJLKSA-N	563.178	6.363	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408768807	JPZZYRQEUKVYPM-UYRXBGFRSA-N	608.405	5.322	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408789245	OTHCLZJKFJMJCK-UDWIEESQSA-N	535.940	5.558	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)c1	408789997	TWCXYMIRIDAGFL-VCHYOVAHSA-N	542.227	6.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1F	408791370	WSXNCMWJMBQBRZ-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408793001	NCCAFCHVZCVNSY-YDZHTSKRSA-N	667.297	7.118	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	408803313	NOBWDWPZBFIGMY-XYOKQWHBSA-N	502.708	5.825	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)c(C)c3)c(OCC)c2)cc1	408804626	BDIGILBKJMXPFK-OEAKJJBVSA-N	505.014	6.879	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCc1ccc(Br)cc1	408807095	ODYGDCUAZNYTQK-XDHOZWIPSA-N	541.829	6.634	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccccc3/C=N/NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)sc2c1	408838709	HKOLLGYTEUVAHT-QNVXDBMFSA-N	636.944	8.405	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408838968	KYBCITKGUOTOSH-CHSHITCJSA-N	633.173	9.020	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)cc1	408839357	RARAEPUSMYYHOZ-QNVXDBMFSA-N	621.977	9.165	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408842253	JQDOVINLQVDRDZ-ODQASSKESA-N	632.960	8.728	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccccc1C#N	408843456	FSVSGGRWFYBBJB-ACXHZZMFSA-N	544.405	6.147	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2ccccc2o1	408853267	QMSBACUKCWLCSA-ZRGSRPPYSA-N	528.746	6.100	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC(=O)OC	408856353	HOTRDYLLAOLADH-CAQPMQTCSA-N	637.474	5.772	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2)cc1	408862128	COHDOOUHHVOCJG-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	408862940	NTVURCXTNCJAEE-JFLMPSFJSA-N	520.438	5.126	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(C)(=O)=O	408864596	YENCBDFNJSCGKJ-AMVVHIIESA-N	659.386	5.659	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2c(C)ccc3ccccc23)c1	408874122	YWZFDDMCENCYRD-HYARGMPZSA-N	516.519	7.300	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1ccccc1	408875909	MINGDHDLDLKKEB-XPGZBYHPSA-N	649.769	6.832	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1	408881258	MKKURHVULLFZRB-VCHYOVAHSA-N	540.345	5.938	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	408881888	MXFXKXNXTLKJLT-RPPGKUMJSA-N	508.199	5.864	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)n1-c1ccccc1	408884625	UQZWDAGFZLGQDH-KKMKTNMSSA-N	530.437	5.605	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OC	408889684	IYXFOLCNBJNYLR-NTUHNPAUSA-N	620.079	6.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OCc1cccc2ccccc12	408891542	SGXUUBAWHNRCLK-YDZHTSKRSA-N	541.991	7.233	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1cc(C)cc(C)c1	408891798	VOEYKDDREBROSK-ZMOGYAJESA-N	533.466	7.206	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccccc3F)cc2)c1C	408952148	VUTJZFUPZQYRSG-UUWRZZSWSA-N	669.779	5.697	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(I)cc2)c(Br)c1	408954694	ZMOZMVICXPJTHT-NDEPHWFRSA-N	763.452	5.518	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cccc(C(F)(F)F)c1	408963389	NTGJNKUFPPPDGX-VPUKRXIYSA-N	684.621	6.911	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OC(C)C	408971142	MWSWXUJIHLDXHO-IVOHQOHESA-N	586.516	5.824	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c2ccccc2)cc1	408978489	ISZSNQZZWWPSHN-RVGYRORASA-N	619.574	6.865	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408984401	QMNCSBIDXNLHES-NVMNQCDNSA-N	594.720	8.241	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OCC)c1)c1ccccc1	408998093	KBOMGOIKSTVFAY-CIMVZPIYSA-N	694.364	6.359	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)c1	409000684	ZNBVPIFLUXHEQV-FOALMQPLSA-N	503.558	5.630	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	409001816	KUWAAEUUESLPON-KPGMTVGESA-N	611.279	6.991	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409029997	BIPADOQCTFBQFT-AEUUOICLSA-N	595.884	7.532	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409034236	QAKLEUHLAURQTI-SAEPALGJSA-N	623.565	9.357	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409041019	ZQBSHOYLUVQBBA-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)c2C)c1	409114883	QYBJDHAXSSPSLP-UXHLAJHPSA-N	626.520	5.353	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccccc2)cc1OC	409125627	ADPRCEVZIQZJEV-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OCc1ccc(Cl)cc1Cl	409144249	IXZBBHCYCVXGAY-LUOAPIJWSA-N	630.222	5.953	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	409162148	RYWGKCNCGSSHPH-LGJNPRDNSA-N	595.231	5.414	50	40	KKGB	
COc1cccc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c1OCc1ccc(C(=O)O)cc1	409186386	BIVSORZOGZFYSJ-AAPHRLRXSA-N	643.288	5.575	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1ccc(I)cc1	409186907	JJAJYHHSIYVXSD-LJUMEUDFSA-N	610.448	6.516	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	409217965	GJBJLNDOPATGSG-LDADJPATSA-N	540.403	5.964	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)c(OCC)c3)c2)cc1OCC	409224191	JVQRLCQLBDCADV-UHFFFAOYSA-N	595.652	6.118	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccccc3Cl)cc2)c1	409225481	REDSHDRVVJINHR-KYHGBAKBSA-N	546.410	6.537	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br	409242796	PBRNUMCJVPMHSQ-QDTIIGTASA-N	545.206	5.494	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409256408	OJXJZTMHOZVISS-QDTIIGTASA-N	636.284	5.461	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c1	409259106	XNGYFLOGABNIFB-WKIKZPBSSA-N	530.806	5.201	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)c1	409259655	CAGNUFSUAZTONN-QDTIIGTASA-N	589.284	5.618	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(OCC)c2)cc1	409264607	MNEXQMCSOLUSMR-KGENOOAVSA-N	534.012	6.009	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409272061	OEDWYJVYQMYHLE-HAHDFKILSA-N	527.577	5.052	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1OCC	409322484	XRLRHTVUPDHKNV-CPDSRJINSA-N	551.905	6.621	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1OC	409326252	IZRDPYDRPGARHZ-NUJZUDFISA-N	592.259	6.267	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2Br)Cc2ccc(Cl)cc2)c(C)c1	409369423	NHFYWTCWFLZCHJ-MUXKCCDJSA-N	562.917	5.369	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	409373996	WSRBDBXESXUOLQ-ZRGSRPPYSA-N	591.212	5.090	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409395989	UWHICNHZSMEFNJ-UHFFFAOYSA-N	675.288	8.906	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397726	NGOWPJYUBGTHGI-UHFFFAOYSA-N	547.489	6.438	50	40	KKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409399760	LNUOCYSMIWOORP-NMQPEJGJSA-N	550.055	6.869	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OC(C)C)c(Br)c3)o2)cc1	409400260	CINYNRQNUGAKMW-BVMLUPFRSA-N	629.349	7.342	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(CC#N)c4ccccc34)o2)cc1	409402230	JGFDTYPUCIKXAY-CAQPMQTCSA-N	505.578	5.817	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)o2)cc1	409404203	PHXDRPVIPQSBJU-RODHXAHZSA-N	667.387	8.678	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCc5ccc(Cl)cc5)cc4)ccc32)cc1	606422485	VHJSQNWGQCYXKJ-GDLZYMKVSA-N	538.987	6.365	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(N(CC)CC)cc1OCc1ccc(Cl)cc1	1529548799	DSGSPBXRDZZFFU-RESMKIPWSA-N	664.228	5.650	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3cccc(F)c3)cc2)c1C	1529548811	GKVRNQIFGCGCQE-IWCMBNRNSA-N	669.779	5.697	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4cccc5ccccc45)cc3)n[nH]2)cc1OC	1469282	LNRWKQJFWQHZSE-FDAWAROLSA-N	506.562	5.590	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1OCc1c(Cl)cccc1Cl	1783724	PZJJLLKOOZUIOZ-YZOBSOIESA-N	585.513	5.943	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1N1C(N)=C(C#N)[C@@H](c2ccc(C(C)(C)C)s2)C2=C1C[C@@H](c1ccccc1)CC2=O	2090990	BXGVXKSQRFQERQ-NGOKVRLYSA-N	538.673	6.961	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1	2888386	RPLNURYOYVEBEW-YWDBVWQESA-N	587.293	5.547	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccccc1C	3255502	ZLNDZYFTMQXZOQ-KEBDBYFISA-N	568.367	5.431	50	40	KKGB	
COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc(Br)c1O	3303427	CGMGELQEHQVIGC-NYYWCZLTSA-N	552.038	5.027	50	40	KKGB	
N#CC1=NOP(c2ccccc2)(c2ccccc2)(c2ccccc2)N(c2cccc(C(F)(F)F)c2)C1=N	8385456	NMZUIQRNRYVTOO-UHFFFAOYSA-N	516.463	5.759	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](OC)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	8673002	BKAIZLBGUQUUEI-BELKGXLCSA-N	509.606	5.528	50	40	KKGB	
CC/C(=N/NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(Cl)cc1)c1ccc(O)cc1	9357644	HNOIVFDGMAKHHB-NFFVHWSESA-N	522.030	5.325	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(I)cc2)cc1	20764474	XWOUBVPPOLUAKJ-MFKUBSTISA-N	500.336	5.033	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Br)c1OC(=O)c1ccccc1	25356547	WXGVJDYFAPACQO-LDADJPATSA-N	505.393	6.741	50	40	KKGB	
CCCCc1ccc(NC(=O)C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1	29491879	SNBHLCCETPFLEC-MYHWLXNHSA-N	675.583	6.083	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc(C(C)(C)C)c1O	33910011	RPWXQKLHVFHWIT-ACXHZZMFSA-N	515.481	7.637	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1C	58914941	PDTHVIOVMAJWJS-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccc(C)cc1	59297424	VJLOOBURRADPNP-XDHOZWIPSA-N	505.914	5.720	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Br)cc1	59445200	CEEYBZPSDZXPJI-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(C)cc1	59883929	DURKBMIGCKHTIY-STBIYBPSSA-N	523.964	5.403	50	40	KKGB	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2OC)cc1	96398824	BLFLWYZXFQZYOF-NDENLUEZSA-N	510.468	5.625	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	97951921	BMRJTCDRNDPYBT-DEOSSOPVSA-N	522.989	5.779	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)c(Br)c1O	97960747	NOLCRUNCXDZYGA-OQLLNIDSSA-N	533.220	5.063	50	40	KKGB	
COc1ccccc1[C@H]1C(C#N)=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C1C(=O)CC(C)(C)C2	98006064	HZSNFRIUNMEARB-QHCPKHFHSA-N	597.688	6.799	50	40	KKGB	
N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@H]1c1cc(CSc2nc3ccccc3s2)cs1	98008407	MADBOGPUPGGYLI-RUZDIDTESA-N	561.157	7.608	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC	100035869	CVAHFTBKFQXZEA-STBIYBPSSA-N	564.491	5.527	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)c2C)c1	100124396	FMEODQITELSACQ-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1Cl	100232801	HXQFTCDNRRMASM-MTJSOVHGSA-N	539.857	7.243	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2ccc(C)cc2)cc1	100380228	FZXWWRSLDMWKNT-NDZAJKAJSA-N	546.718	5.470	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2)cc1	100988589	ISSLSQAOKKHTRM-GOHCDNDPSA-N	538.456	6.457	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1	100991319	XJSXGDGPFBMSLS-UTDQILSNSA-N	563.293	7.365	50	40	KKGB	
O=[N+]([O-])c1cccc(P(=O)(Oc2ccccc2P(=O)(c2ccccc2)c2ccccc2)c2cccc([N+](=O)[O-])c2)c1	101619981	RHPIONCRKMUCFC-UHFFFAOYSA-N	584.461	5.450	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1cccc3cccnc13)=C(C#N)[C@@H]2c1ccc(Cl)cc1	102413861	WHSSFQZSKQBLFO-VWLOTQADSA-N	529.065	6.325	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	102933154	RNUXLCQYLUPLKA-VZUCSPMQSA-N	529.572	5.718	50	40	KKGB	
COc1ccc2cc(-c3cc(C(=O)NNC(=O)CCN4CCN(Cc5ccccc5)CC4)c4ccccc4n3)ccc2c1	103026605	OGVMUIGXIJRISW-UHFFFAOYSA-N	573.697	5.033	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103894599	ZIVRHORELJCYHP-UVHMKAGCSA-N	522.226	6.036	50	40	KKGB	
Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)N=C3CCCC(O)=C32)cc1	104136532	MPXPHXKCRQBLBL-QHCPKHFHSA-N	508.441	6.399	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1)c1cccc(Cl)c1Cl	104705594	FXFKGAIJTXZPDD-UHFFFAOYSA-N	552.568	7.350	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC3=C2C(=O)CCC3)cc(OC)c1OC	106098761	LDQKAWGZMUXYGO-QHCPKHFHSA-N	574.486	5.820	50	40	KKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5CC[C@]4(C)[C@@]3(O5)[C@@H](Br)[C@@H](Br)[C@@]21C	118915671	XRRHDGKBIMJRKD-IFXWBOGISA-N	546.384	6.503	50	40	KKGB	in-vitro
Cc1noc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N/c4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)c(OC(=O)C(Cl)Cl)c4cccc(NC(=O)C(Cl)Cl)c34)cc2)c1C	150393438	OPNGCYBHSAUFRE-GNIYZPBYSA-N	937.628	9.933	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	198313129	NBISFIJVRNYLBJ-KULFSUQXSA-N	679.504	6.375	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)ccc1OCc1ccccc1	408540980	WYQRZHJULPKMFL-AFUMVMLFSA-N	664.350	8.741	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c(C#N)c1C	408546194	DXMIRWDABOZJQO-YBFXNURJSA-N	502.552	5.139	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(Br)cc1F	408552870	LGFWKQKPJUPMMN-LICLKQGHSA-N	523.431	6.353	50	40	KKGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1	408566478	GSZZKMHGXKPUKD-MSXFZWOLSA-N	533.176	5.463	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	408569255	MNZMIZCVYAMPJZ-OKCVXOCRSA-N	630.586	5.873	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408638090	BUOLIARKAFKYRI-ZDNVTZCJSA-N	806.118	7.682	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408640769	ISBWQIZEETUMNE-KIHHCIJBSA-N	781.679	6.484	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408655841	RWSJBKQGGAKVEO-WGXFHILCSA-N	731.781	6.059	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1cccc(F)c1	408677454	QUQZMSANZRIUBQ-OCSSWDANSA-N	540.433	5.930	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)Cn1cnc2ccccc21	408691684	LPPSXMFBRRZBHV-GRSHGNNSSA-N	523.228	6.747	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1	408728687	RKKWWMDAEGKHNH-BIZUNTBRSA-N	578.090	5.825	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1cccc(C)c1	408746929	HXKZGMNRLNGNGK-UUYOSTAYSA-N	538.385	5.411	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)NCc1ccccc1	408747333	MJBQYLADIDIPHB-JAIQZWGSSA-N	573.228	5.856	50	40	KKGB	
O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1cccc(I)c1	408751773	CENZXHKMSGRTKY-FDAWAROLSA-N	570.386	6.581	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OC(C)=O	408767372	WEXGHCINBXGLAM-OKCVXOCRSA-N	561.517	6.157	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(I)cc1	408769579	VWEORYPFEAJAFS-BOPFTXTBSA-N	501.755	5.898	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccc(SC)cc2)cc1	408780213	VLIJOUUQXIDMHJ-VUTHCHCSSA-N	533.675	5.306	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408791280	VQFHPIIBNIEDCP-WOJGMQOQSA-N	512.349	6.425	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1	408792069	HHJFOZFNVKNLSH-LZYBPNLTSA-N	536.640	7.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(C)cc1	408795573	MBRLEWMWDUTGRW-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1	408796876	ZJWSMNCLTOGXPR-FYJGNVAPSA-N	505.368	5.834	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(C)c1	408797480	SBTOHXHUDQQASE-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccccc2)cc1	408824978	BXWDAYCMELUIKC-PPOKSSTKSA-N	563.679	6.073	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)cc2)cc1	408826148	SWOWNZOVUIUUIE-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1cccc(C)c1	408827798	KUMHSFSXAQHDSF-WGOQTCKBSA-N	676.405	8.622	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1Br	408835718	ZDOBFCNIKIPHCI-XSFVSMFZSA-N	568.265	6.901	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408838083	BZCMMSGUMXGJHW-DPNNOFEESA-N	620.887	6.737	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408839079	MRESPULSUCJACF-MZJWZYIUSA-N	521.440	6.397	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5cccc(I)c5)c4C)cc3)cs2)cc1	408840209	YJRRIZCMJSCQIT-VTNSRFBWSA-N	631.543	7.638	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408842461	PMGOQJDDWXMBES-BWAHOGKJSA-N	525.630	5.833	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC	408847989	WIRWNXUYHDHKAP-KVAAJVFYSA-N	622.461	6.255	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1	408850497	ODGASJBEOYRGEC-VYUMYAIBSA-N	560.075	6.108	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408852055	HJMWGGVIOUWSKZ-XLNRJJMWSA-N	562.047	5.878	50	40	KKGB	
CCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1	408860404	UUYGVRRSCDOATR-VQNDASPWSA-N	500.646	7.187	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2cccc(C(F)(F)F)c2)cc1	408868878	QHWANOZMSDJZEJ-BBUXEPKYSA-N	631.676	7.092	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OCC	408874968	GRZKUIZQWQIASW-PPFNPFNJSA-N	599.709	5.818	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cc([N+](=O)[O-])ccc1O	408875266	IHHBBGVKAPFREG-MYKKPKGFSA-N	549.175	5.168	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Cc2ccccc2Br)c1	408884233	XIJAYNJLPIHZCB-YBFXNURJSA-N	515.329	6.613	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408886067	HSIOZTXGPROMHP-YDZHTSKRSA-N	610.448	6.218	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OC(=O)c2ccccc2)c(OC)c1	408891620	UBSKNSBHMGFDPB-LGJNPRDNSA-N	562.214	5.212	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OCc1ccccc1Cl	408892001	XBBHUOKRYVXODO-KKMKTNMSSA-N	623.925	6.384	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Br)C(=O)Nc1ccccc1Cl	408892777	CJAIQOLEIVSEEB-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccc(Br)cc1	408896223	QNSXMPUFTCUPLG-XDHOZWIPSA-N	649.177	7.806	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)c1cccc(Br)c1	408922483	FKVYZQNMGXWLOE-SEBMTOOBSA-N	627.498	7.709	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408947057	NNNSOGIYMRYJES-MHZLTWQESA-N	889.348	6.122	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc(Br)cc1	408965392	GUJASHDBCKPNRE-VFLNYLIXSA-N	575.232	5.964	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408993590	WITFNTMWCMNLDP-KJMPDUOLSA-N	562.629	5.505	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1ccccc1Cl	409014935	QKKALYMUPHVERR-PNQUVVCRSA-N	732.594	7.957	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(C=NNC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)c2)cc1C	409016488	CTWZKQDSAYILPK-UHFFFAOYSA-N	529.040	6.146	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccccc1Br	409018032	HDVLZJSMDOGRDE-KBKYJPHKSA-N	641.101	6.734	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12)c1ccccc1	409039325	CONCUTAGEOTMBY-LPYMAVHISA-N	519.236	8.008	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1	409043080	POZSALBYZGNXFJ-GIJQJNRQSA-N	505.323	7.445	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)c1	409044022	ALBJTWOSGPMTEN-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2Cl)c1	409044346	CFSCSXATOKJFIE-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1	409088773	GWKGVRSYQAYNPZ-MHWRWJLKSA-N	567.308	5.390	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)cc2)cc1	409124552	IFIAIZVYMFIZRC-KBVAKVRCSA-N	569.514	6.298	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409127136	QENDSMAWWVCXBF-KPGMTVGESA-N	688.988	6.081	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409145778	RLYNPNIIKXHMFO-WKULSOCRSA-N	628.019	5.079	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(OCC)c3)cc2c1	409185147	SKTNXUZCKMICBT-MNDYBZJGSA-N	616.306	7.098	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409262208	FZZYJYDOYUZAEN-GRSHGNNSSA-N	626.407	5.388	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)ccc1OCc1ccccc1	409264935	HDCRGDFFZQXPIK-KMUKQRDJSA-N	586.088	6.716	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1	409266104	JPTKCDUMKDPTKT-NVJOKUIPSA-N	504.801	6.045	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)ccc1OC	409316900	RMXHZPKKYGAGGN-MUXKCCDJSA-N	503.433	5.577	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC	409333918	KHOWQIAFKROOOT-VYYCAZPPSA-N	537.421	5.241	50	40	KKGB	
C=C(/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)N(Cc1ccc(Cl)cc1)c1ccccc1N	409336045	QQTSNOABHDMYIZ-PCLIKHOPSA-N	583.950	9.359	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OCc1cccc2ccccc12	409346366	KZKIXLCLPDXLDE-KPGMTVGESA-N	658.334	6.747	50	40	KKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc(I)cc1	409368883	RDTFGFJGHGXPEB-ZDLGFXPLSA-N	506.170	7.241	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1	409371108	BDVHYKFNLYQRNX-MFOYZWKCSA-N	504.167	7.307	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(Br)cc1	409371344	HPFJYGLFQHXLFZ-UCQKPKSFSA-N	519.395	7.128	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)c1cccc(F)c1	409393848	SRGAKPIPFBBUSG-UWVJOHFNSA-N	512.176	6.866	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)cc(OC)c1OC	409395048	JFPYZGJFHQDCHO-UHFFFAOYSA-N	757.435	8.522	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409398330	SOLXVAJTPWSZLA-UHFFFAOYSA-N	528.524	5.418	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(F)cc1	409400128	BODWVFULBQMNTQ-ADJDCTSUSA-N	680.958	8.173	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Br)cc1	409400603	DSIHVNRVAPUQDZ-KMUKQRDJSA-N	612.524	7.680	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)o2)cc1	409402225	JFCOZGJNOYOSBF-AEVGBRMKSA-N	613.501	7.788	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409409758	QUTWRTBNRDEEON-CFYQFGTQSA-N	634.645	6.566	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)OCC)CCCC3)c1C	1529547910	RKYSDIQZCMNPCU-XQTSXZJRSA-N	677.849	5.096	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(C(=O)OCC)cc2)c(I)c1	1529548857	OQDRICSWHVFBAH-NZDCISMZSA-N	882.515	5.537	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O)c1cccc(C(F)(F)F)c1	1531387115	IYHMSHPQQDKORZ-ATZGPIRCSA-N	558.472	6.092	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	2207751	OXAZGRDDIDUAAD-UMADGWCESA-N	509.672	7.315	50	40	KKGB	
CCOc1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc(OCC)c1OCC	3222478	DVEUPOZPZYYRAU-BIZUNTBRSA-N	556.619	5.271	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)cc(C(C)(C)C)c1O	8860743	MMRVSBHFAHNBFQ-HPNXWYHWSA-N	536.716	7.802	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	12250460	RBXAMWUDMBJWGV-VWLOTQADSA-N	502.571	5.434	50	40	KKGB	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c1C	15978709	YVBRHCDAUIDXCU-KGENOOAVSA-N	504.546	6.197	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(NC(=O)c2ccoc2C)cc1	55080854	AURAJACRULWBTO-MZFJOGFUSA-N	507.546	6.320	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccccc3)c2C)cc1	58914952	BTTADECZWTYDFR-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc(Br)c1OC(=O)c1ccc(C)cc1	59192759	XBMPSQODFRUFIA-XODNFHPESA-N	545.817	5.476	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccc(Cl)cc2)cc1	59883757	YSLXBQZNSDEWOY-LGJNPRDNSA-N	526.829	5.001	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(Cl)cc3)=C(C)N2)cc1	96933950	CBFMMEVREQRHEJ-AREMUKBSSA-N	533.053	6.202	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2cc3ccccc3oc2=O)N1	97951867	MJSUPSHGBUPOHB-HHHXNRCGSA-N	538.581	5.441	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1cccc2ccccc12	97959456	BSKPORMUONSKGK-UHBFCERESA-N	532.456	6.637	50	40	KKGB	
Cc1ccc(/N=C(O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C)cc2)cc1	97968738	XMGRGHHDECHDHL-DXTZOESMSA-N	522.457	7.325	50	40	KKGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	100230528	QZVGKUKNARCBHD-RNENPBRNSA-N	554.710	6.720	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)ccc3OC)nnc2-c2ccc(Cl)cc2)cc1	100242169	RMHMSLNHNVTFCJ-WKULSOCRSA-N	600.926	6.000	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1	100336329	FVJRDVYFMRKJFK-ODLFYWEKSA-N	556.254	6.653	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	100405686	VLNOEPITLMZRIF-XKJRVUDJSA-N	564.800	6.011	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccc(O)cc1	100899884	WJMAOESHMBYLDZ-QQXSKIMKSA-N	522.428	5.035	50	40	KKGB	
N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100988241	DSGZYDLXYYXXID-AEPTXUNZSA-N	573.299	6.821	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1	100990886	NHVMQXFJXYMUIU-YMGIJWJESA-N	563.433	5.100	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc2ccccc2c1	103883429	QMAFKBLXQXCTOH-IMRQLAEWSA-N	538.047	6.337	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	103896204	YNDRZNLPYXJJHG-QLQYKETESA-N	628.150	6.735	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1cc(Br)ccc1O	150420729	VEDNUHHDPBDQNR-VJJHSDPTSA-N	637.446	5.030	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1)c1ccc2ccccc2c1	169619021	YXQXDSRMYRLXAT-MESAYYPLSA-N	599.275	5.306	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccccc1	408535637	ZEYVTDJSWWQYSJ-ODLFYWEKSA-N	546.202	6.705	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1	408537212	CYKOJKKKMQTMGV-OYKKKHCWSA-N	589.475	7.714	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	408539997	LOLKJTWMCXYFLC-OHUYPAJKSA-N	638.356	7.532	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)c(C(=O)OCC)c1C	408546666	MAZKUNWVQJXGLP-DJKKODMXSA-N	695.415	7.786	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408568754	WVDMBBDQUWPWRT-CHHVJCJISA-N	527.737	6.669	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)ccc1Br	408570821	YYWFHOACDABTQT-MZJWZYIUSA-N	544.540	6.173	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	408608102	GLGKDJBFIWGNTO-XKJRVUDJSA-N	510.299	5.680	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccccc1	408641537	CPGSBFQOJMQVNB-IOGQTDPRSA-N	629.132	5.011	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408649659	YVCHRDDYYJIGRZ-PXHCZXJWSA-N	665.593	6.197	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1	408735868	YPZFDEVLQJOBFW-XSFVSMFZSA-N	517.810	7.380	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	408740316	KAKCRZQLHPSTEZ-QNKGDIEWSA-N	506.005	6.994	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741375	ILWIAPFMNUBZJC-AUGOTPMTSA-N	535.647	8.127	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746086	QSZBOEZZFPTBSG-PDGQHHTCSA-N	514.750	6.069	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)NCc1ccccc1	408746919	HSZJMOFPGBSSPC-CFRMEGHHSA-N	670.288	6.851	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1OC	408758742	QFEFGQUBNQZIFD-NTUHNPAUSA-N	527.156	5.007	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408760850	GNAAFWDQMHRJGG-PXNMLYILSA-N	581.091	7.643	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	408771348	HJEBHVCVLMJRAK-CVKSISIWSA-N	555.281	5.492	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408773992	KULYGGJQCCHWRP-JWGURIENSA-N	675.308	5.731	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408797023	ZWACBXUQYGLFJN-OEAKJJBVSA-N	547.413	7.836	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2I)cc1	408797465	RQHYFLGFTGHSPW-LPYMAVHISA-N	522.386	6.341	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408808458	IZWBYVSTPRYYHC-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408820252	UVBJTFFWZCDVOO-DXJNIWACSA-N	542.433	6.000	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408839471	SUJPBAUMRXEHOY-WCMJOSRZSA-N	609.933	7.144	50	40	KKGB	
CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1	408852741	HYODSDZTSANJMC-IBTHDSTKSA-N	528.700	7.967	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1	408859049	VPTCLAJBICGKAF-RSEYIHLLSA-N	603.726	8.075	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1Cc1ccccc1Br	408866369	HBPSPAMGWWGCAV-YBFXNURJSA-N	540.255	6.665	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	408870258	UEFUGCYCCULWII-KVSWJAHQSA-N	568.251	6.125	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1	408871111	YCVANZRTGKZSEP-CIAFOILYSA-N	552.412	6.062	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c(OC)c1	408874638	CXSCMSAAIRBPJH-DJKKODMXSA-N	531.823	6.466	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408878066	WDZYWDZWTBKWNM-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc(Cl)c(Cl)c1	408879548	FDVFBXMEDSFCHD-VCHYOVAHSA-N	542.375	6.434	50	40	KKGB	
Cc1cc(NC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)ccc1Br	408904789	OQKNMRVKZIFPBL-QNKGDIEWSA-N	549.472	8.038	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408927115	ZQXVAGCEMADJCO-ZXVVBBHZSA-N	652.066	8.290	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408948119	OULXQOARIBFQBN-HHHXNRCGSA-N	855.449	5.268	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1ccc(Br)cc1	408948598	CYQBUNLXADGFTQ-KAEHYAMVSA-N	626.510	6.569	50	40	KKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c1C	408960452	LWOGJHPSLFLHDA-IHELAITMSA-N	576.744	8.854	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1cccc(C)c1	408966261	OIPIWANVWVDYKT-CCVNUDIWSA-N	599.381	5.996	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)NC2CCCCC2)cc(Cl)c1OCCOc1ccc(Br)cc1	408968652	APNUZNSQOCCBDO-JVWAILMASA-N	538.870	5.925	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCCOc1ccc(Br)cc1)Nc1ccccc1	408971178	CVPKYSTZNHRNAI-MFKUBSTISA-N	533.220	5.825	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408971192	DFRPRVYUUPILIN-BIQGZBDESA-N	738.293	8.287	50	40	KKGB	
CCOc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1	408972236	OBDYGKRBENXGKC-UQXSWQNPSA-N	528.436	5.037	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1	408972252	QJGGMOUVYLGZCG-GDRFDKMFSA-N	604.534	6.526	50	40	KKGB	
C=CCOc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408972705	QUPLLDYPFGPAPY-HKJXJVSNSA-N	536.456	5.015	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2C#N)c(I)c1	408985704	XVQJWASQDRZJCP-OCKHKDLRSA-N	632.683	7.012	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C)cc1	408986649	CSJAMSGESIXFBJ-QRVIBDJDSA-N	535.869	7.573	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409011075	DNBREDYUYSJGNR-FSJPTQJLSA-N	613.973	7.018	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1cccc([N+](=O)[O-])c1	409014496	PTNNWUQIYQYISP-OPEKNORGSA-N	607.202	5.880	50	40	KKGB	
O=C(N/N=C/c1ccccc1Cl)c1cc2cc(Br)cc(I)c2o1	409016260	SYAWKIGRSSSPOY-DNTJNYDQSA-N	503.521	5.217	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCc1ccc(Br)cc1	409024062	SXXDPPAMRYSVMG-OHUYPAJKSA-N	574.475	6.233	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1	409026292	LCOLACQCFAEYBI-RQZCQDPDSA-N	580.198	7.355	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409031255	JUBBDXJMRQKKMZ-CLHYIUPASA-N	576.483	8.705	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409036951	WSASGUUXYZPPNY-QMRORBIVSA-N	635.345	8.323	50	40	KKGB	
O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12	409038501	VRODYNBFAWXAAC-HQDYHJHZSA-N	556.500	7.385	50	40	KKGB	
CCOC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2OCC)cc1	409049251	YNQOUWBRSJQERW-HPNXWYHWSA-N	573.649	6.820	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1ccc(Br)cc1	409052670	LNAOJZYXLGCNNE-XODNFHPESA-N	627.704	6.757	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409084557	VPJICRCJPOBPNC-VGOFMYFVSA-N	654.295	6.473	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1	409092311	UDXPXDVPZYWEKH-LICLKQGHSA-N	546.299	6.392	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1cccc2ccccc12	409141018	GTAWQFOOVPGAOQ-AREMUKBSSA-N	544.449	5.920	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OCc1ccc(Cl)cc1	409162162	SFMXRVQZCXUZKX-RPPGKUMJSA-N	595.777	5.300	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409177848	JPLHUEYOKBMFPW-XAZZYMPDSA-N	715.156	7.628	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc5ccccc5c4)c(OCC)c3)cc2c1	409183588	DPDDFMKXNBGKQM-MZFJOGFUSA-N	508.574	6.726	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1)S(=O)(=O)c1ccccc1	409185351	KULWLZGDSDNEEF-GZZLJNBRSA-N	554.672	5.237	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c2)cc1OCC	409222368	CLYMUSZJNCWIDI-UHFFFAOYSA-N	788.287	8.007	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1	409224072	KEBOKLGNOYLPNX-GXJCZJLSSA-N	654.632	5.264	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)oc12	409231354	CFZJPGPTWYLHLK-NUJZUDFISA-N	520.358	6.110	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409247632	DXTWOSPAHOMREQ-BKUYFWCQSA-N	598.362	7.588	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OCC)c1OCc1ccc(F)cc1	409252408	RSBYSSNLVZIILU-WKULSOCRSA-N	508.619	5.181	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)cc1	409261330	ADKFLVCSKMZVJN-WQRHYEAKSA-N	613.262	5.561	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409305723	WXVKJQYOPCZJMO-SFTDATJTSA-N	641.371	5.881	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409314662	GSOURURJHDUMJO-KYHGBAKBSA-N	621.002	6.699	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)ccc1OC	409332616	HLNJTSKIZMCJBJ-MUXKCCDJSA-N	547.833	5.861	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Br)cc1	409359361	BNSTYHSONZXGAQ-OCKHKDLRSA-N	604.238	6.824	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc2c(c1)OCO2	409366204	SXTREAWKWVSTCZ-FBHDLOMBSA-N	563.245	7.737	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2OC)cc1	409377318	GGGXVUYMLVCQLB-AQTBWJFISA-N	536.382	5.029	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)c1	409396063	VWPZVOAOJHWJFW-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409396622	ZLKGZWWOSKMYRZ-UHFFFAOYSA-N	688.962	7.785	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409397142	GUAYGIRUBTWMIZ-UHFFFAOYSA-N	654.291	7.729	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)cccc4c3-c3ccccc3Cl)cc2OC)c1	409397529	KXCUMRPMCGVQAI-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)c1	409397635	MDPJNKARGAAGNB-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc(C(=O)O)c1	409402771	KYHSNLVOCBGKBP-UHFFFAOYSA-N	593.636	6.316	50	40	KKGB	
Cc1ccc(COc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc(Br)cc2[N+](=O)[O-])cc1	409404911	RIYTWQXHLDWAPP-AEUUOICLSA-N	657.521	7.588	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1	409407080	YUPPLAQRGJDAES-QJOVZPHJSA-N	622.678	7.224	50	40	KKGB	
C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@@H]3[C@H]([C@](C)(C/C=C/C(C)(C)OO)O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@@H]4O)CC[C@]32C)[C@]1(C)CCC(=O)O	1775964072	QJHBVGJDEBZDIX-CQRRXCLPSA-N	680.876	5.263	50	40	KKGB	biogenic,in-vitro
O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	2096745	AOXPJYBPPLOFSG-QXUDOOCXSA-N	542.668	6.428	50	40	KKGB	
O=P(COc1ccccc1CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	3099859	ZRHVRMISUPHXMD-UHFFFAOYSA-N	522.521	6.551	50	40	KKGB	biogenic
Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(Oc3ccc(Br)cc3)nc12	8642524	FUTMOBPHBYHXBD-DTQAZKPQSA-N	515.392	6.232	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12	9204799	KUQBMPJJYMXTHK-MUFRIFMGSA-N	507.815	6.528	50	40	KKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@H](c3cccc(OCc4ccccc4)c3)CC(=O)N2C1	12251017	RHQAVEYCFPGBTD-QHCPKHFHSA-N	502.039	6.447	50	40	KKGB	
CCOc1ccc(/C=C2\CN(Cc3ccccc3)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1	20057259	NIMAEIGAJWYFAX-BNMUCDHPSA-N	519.645	6.145	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)[C@@H]1c1cccs1	33355317	BXNCVLHDIJOFGI-HSZRJFAPSA-N	546.070	5.216	50	40	KKGB	
CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@@H]1[C@@H](Cl)[C@@]1(Cl)C(=O)N(c2ccc(Cl)cc2Cl)N=C1C(=O)OCC	96168993	YJACLDRDHRHGRQ-MVIPISOYSA-N	683.159	5.733	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2nccs2)N1	98048724	DQMPALDYHTXQDB-QHCPKHFHSA-N	537.066	5.608	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C(C#N)[C@H]2c2ccco2)cc1	98048904	WFEHZZVBGAMAKA-NDEPHWFRSA-N	540.689	6.474	50	40	KKGB	
Cc1ccc(CN2c3ccccc3C3=C([C@H](c4ccc(C(F)(F)F)cc4)C(C#N)=C(N)O3)S2(=O)=O)cc1	100032532	VNOIKEBYDKFBBZ-HSZRJFAPSA-N	523.536	5.540	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)cc1	100097906	JCJCYCKLFLYCLI-XFAFFCHDSA-N	606.091	6.508	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)c1	100124137	ACBIRUVDQKSOQS-DPNNOFEESA-N	568.621	5.767	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	100139545	RMINDNKAUVMFML-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
Cc1cc(C)n(-c2ccc(N3CCN(c4ccc(/C=C(\C#N)c5nc6ccccc6s5)cc4[N+](=O)[O-])CC3)cc2[N+](=O)[O-])n1	100165875	MNVGPSFDBATPKJ-XQNSMLJCSA-N	606.668	6.306	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	100197656	HHSNLDLHYJOKEW-UXHLAJHPSA-N	560.404	5.323	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1cccc2ccccc12	100313461	LROPOAYOUDWBNU-LQKURTRISA-N	536.369	5.796	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(C)cc2)cc1	100380069	LAFGNMRNBJCRQR-BIZUNTBRSA-N	574.772	6.087	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Cl)c(Cl)c3)nc3ccccc3c2=O)cc1	100859150	GTLGYFJLWKPXLB-WKULSOCRSA-N	527.433	5.334	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1)c1ccccc1	100952424	PFHIPPBUJBIHEV-RGKQAONTSA-N	540.483	5.089	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1cccc(OCc2ccccc2)c1	103537053	QGAFDSDNZJPCGQ-GDLZYMKVSA-N	606.729	6.678	50	40	KKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1	104138338	UBNRJDVCMNRHTF-SSEXGKCCSA-N	535.669	7.215	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	104403004	NDYBNTSKPUEEDW-RWPZCVJISA-N	623.285	6.194	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	104953800	ADYHGSVGYFTCFD-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccc(Cl)cc1	105511515	OVQDRRSUHGRFOU-DPNNOFEESA-N	540.019	5.936	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)[C@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C	123209592	MAIKGBHVJKDTPG-UZSMRUEJSA-N	583.560	5.260	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)N(c3ccccc3)C2=O)cc1	150439091	MKECSWXJUQZSHF-VOEFLUBFSA-N	629.163	6.629	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	164695751	LFGTWUCHOBJSSG-BKUYFWCQSA-N	626.305	5.955	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1cccc(I)c1	197822108	DXMCNYNEYNESHO-WKULSOCRSA-N	635.833	5.699	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCc1ccc(Br)cc1	216045036	QJVRMXJNCJLNIO-FDVSRXAVSA-N	621.313	6.341	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408612272	YBJKKIGBTQRLFO-HNNXBMFYSA-N	539.246	6.375	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408640696	BMSFGSLAKOJWSU-VVKXDGBASA-N	677.604	6.053	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1)Nc1ccc(Oc2ccccc2)cc1	408687003	OFIWTZNUJMZTRW-XMWSTLINSA-N	579.436	5.245	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408745488	MRWZBERBHZYVLC-CHHVJCJISA-N	526.634	8.078	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408745722	VEIUSLNARGBGKM-WQRHYEAKSA-N	556.800	6.534	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1	408747135	ZYQDCRIBAXZWIX-HKWRFOASSA-N	500.396	6.315	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(I)cc1	408753147	IDFNRKZSDURUNQ-GDNBJRDFSA-N	654.236	5.275	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)c1	408756070	TVSPWPXHRBXXCO-XMHGGMMESA-N	537.357	5.163	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1Br	408759889	NLUFJEGBCBAQEC-NTUHNPAUSA-N	541.037	6.085	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)ccc1OS(=O)(=O)c1ccc(C)cc1	408761683	KRAVNNGNYXXKGF-XMHGGMMESA-N	541.423	5.470	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)cc1	408790568	QELAYTOMRHATIX-LDADJPATSA-N	544.776	6.078	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1C#N	408791341	WEHWXCSSZPFPNQ-DJKKODMXSA-N	580.338	5.204	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Br)cc1	408795018	UKPVTPHVDKGQLU-VCHYOVAHSA-N	556.800	6.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1F	408798585	WCPBAUFZXOBXQF-RQZCQDPDSA-N	564.238	7.418	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1Cl	408813298	PEZKNROTFJPASR-NSKAYECMSA-N	515.180	6.577	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Br)cc4)cc3)cc2Br)cc1C	408833404	JWOWYYMJWMHQSQ-WGOQTCKBSA-N	646.379	8.532	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408838100	CBQSSBQMILUQOY-AABVJFSESA-N	622.917	8.097	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccccc2F)cc1	408838218	SOEDPRGZMBLHRM-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	408839966	BUPSNJBJGUZXOR-IURWMYGYSA-N	634.434	6.848	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1	408842023	NITKZJOGZSUTJF-UACWCTJZSA-N	695.241	6.546	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccccc1	408842227	JFDLGMSEVXCGLT-ROPCREHHSA-N	589.039	7.229	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccccc1Cl	408845989	QECXPHKQOHEQBM-QNVXDBMFSA-N	682.427	8.975	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408847608	TVNZWUJYZPOJJZ-PTEHHBOZSA-N	808.842	8.898	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408851102	IGYUZIUAYIPVHT-IMRQLAEWSA-N	593.525	7.183	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c(C)c1	408852238	FDDJKZNQHWXGPH-UCMJSZAQSA-N	517.585	6.572	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408856084	PFUNUQFKZYYUGH-JMIUGGIZSA-N	646.312	6.933	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccccc1	408881828	NXLQPBFOIZUCOL-NJZRLIGZSA-N	527.646	5.174	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1Br	408882143	NPJVNISANGTIJO-RGVLZGJSSA-N	570.281	6.962	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccc(C)cc1	408883191	RVUDOPMMZCCDLQ-MUFRIFMGSA-N	503.396	6.262	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1Br	408885773	AMGOJFMANQKZLK-RQZCQDPDSA-N	625.144	8.042	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1c(Cl)cccc1Cl	408887223	MUAWZPDSVWOQRJ-CXUHLZMHSA-N	675.091	7.327	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1	408898056	JXPNFLMIAGTYJT-VCHYOVAHSA-N	556.210	6.034	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408898113	KQPJMDOHZBWSLT-CXUHLZMHSA-N	612.349	6.219	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)ccc1Br	408905213	VGAOYMHOGPCLRA-LGUSAWBASA-N	665.007	8.324	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408905649	BWPROSBAGRCOLJ-ULPWCQAASA-N	607.244	7.152	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl	408933945	CIJMKRNDOKQCHZ-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408945795	LOSPEKQQGYPWGL-NDEPHWFRSA-N	736.472	6.229	50	40	KKGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408971558	IYBMLENESQHCLF-RDOOXSMOSA-N	562.881	5.691	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c2ccccc2)cc1	408981992	XCZGSDLRTZECHV-BMRPRGCTSA-N	575.694	5.430	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(Cl)cc1	408984374	QFVPPKYDVOBWLB-YBFXNURJSA-N	607.275	7.430	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1Cl	408988442	QWFWQQLILHAYKS-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(SCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1)c1ccccc1	408988790	FYQMDNGFAOUWRB-MVAKIDQKSA-N	599.669	5.806	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409001992	RQBLYAHFTLCORA-APTWKGOFSA-N	552.472	7.353	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1	409016603	QNCDPZSCBQMXNX-RBVAJZFBSA-N	544.051	5.539	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409022727	QLMQVUDGYNKJMH-UHIZKJEFSA-N	566.872	8.143	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409029797	BMLPUSSLHWGECU-UHBFCERESA-N	517.969	5.270	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409037037	MSZDTNJKIXTQBO-AABVJFSESA-N	607.950	8.857	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccccc1	409055583	JJAUMVFNQMIJGI-LICLKQGHSA-N	587.801	5.516	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1	409060974	XKORNSHFHFBVHQ-XODNFHPESA-N	599.334	5.414	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1	409068803	WBRUDLQVLPZSLQ-XNTDXEJSSA-N	507.782	5.960	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1	409073407	YQETVTHBBXSPLM-MHWRWJLKSA-N	654.720	5.965	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409076709	BWKGDFQSSNDJBJ-CXUHLZMHSA-N	602.297	6.271	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccccc1Cl	409117527	OHBXBKQGAWXFCE-FABQOPTDSA-N	671.013	6.729	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C2=C1CC(C)(C)CC2=O	409136019	XLNHUYWSQBLGAQ-VWLOTQADSA-N	605.360	6.718	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	409137768	XQLILMAEEPSLPV-OAQYLSRUSA-N	546.190	5.853	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1	409166035	CDTIVDLLKPWJCY-KVSWJAHQSA-N	533.799	5.062	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCC(=O)Nc4ccccc4)c(OC)c3)cc2c1	409186311	AESZVTFCTOPBQZ-FDVSRXAVSA-N	613.408	5.226	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	409214887	ZNINHUZHSVTBDM-OKCVXOCRSA-N	529.489	6.942	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409227671	ZOJIBJUCZRDRBW-CXUHLZMHSA-N	530.795	6.219	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)c(C)c1	409248181	CJSSLNIWAOZYII-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	409316753	MYOCSFWBWLIYCH-CAQPMQTCSA-N	575.459	6.527	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1OCC	409320773	RCXHTADGOWOXSK-MZFJOGFUSA-N	515.009	6.800	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OCC	409325441	YSADLQXXBXSPJK-NTFVMDSBSA-N	554.397	5.664	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409325455	YUBOJTVXIARONK-WOJBJXKFSA-N	636.863	6.174	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409363688	MHVQSSKQOFXSNC-ODLFYWEKSA-N	552.400	5.777	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1	409368623	FKOYRDQNJIEHGR-BVMLUPFRSA-N	580.548	5.944	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(I)cc1	409371822	PLFHXORYBOTGHS-YVLHZVERSA-N	564.192	6.845	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1	409372504	YWAVLMGQFWHKAI-ODLFYWEKSA-N	522.355	5.838	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2OC)cc1	409384675	FCPWLCCXBJDHQP-XMHGGMMESA-N	505.958	5.310	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)[nH]c2c1	409390482	DDSJFHXJQCTHAO-WGARJPEWSA-N	502.662	7.511	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12	1529547900	RILBFUFIIWSVTR-VYSXRSOESA-N	616.143	5.228	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	1529548491	HMBSMSTVEDRHBO-FBZJHIGRSA-N	643.165	5.957	50	40	KKGB	
COc1cc(OC)c(-c2c(OC)cc(OC)cc2Pc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Pc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	1777699117	UPCVYNCJXGYGNJ-UHFFFAOYSA-N	762.464	8.722	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	1102301	AHOJGPCONPPLMQ-AREMUKBSSA-N	549.121	6.725	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccccc1[N+](=O)[O-]	2148022	IDUNXWDILGIFGV-UXHLAJHPSA-N	508.534	5.498	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(F)c1	2170039	BSUGTSVJGVHNFR-GDLZYMKVSA-N	538.623	6.177	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)ccc1OCc1ccccc1C	2262257	OTTUDZKXVTYQMQ-OCSSWDANSA-N	527.581	5.198	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	2317510	BPAIZIVAWNVMJT-DHRITJCHSA-N	512.454	5.880	50	40	KKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1	3234435	AHZNKBOPOFECNK-KCSSXMTESA-N	520.589	5.472	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196247	FETVSOKUEVYXLR-RQZCQDPDSA-N	532.221	6.889	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc(Br)c1)N2	6445762	AZOXWSMOEZJDSJ-JCTDHXFVSA-N	559.869	7.094	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c2cccc(Cl)c2)cc1	12660290	BHUOXHRWMYXNHK-VUTHCHCSSA-N	528.074	5.382	50	40	KKGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)cc12	13084389	GTXPUGPXNNCESM-UHFFFAOYSA-N	512.620	5.179	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1	19953249	QCTXYVLNENUYAA-UZWMFBFFSA-N	521.642	5.955	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	58917150	GYMBMQSAEYUVIX-JWPMFDMHSA-N	502.083	7.188	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1	59117515	POSUIZFUOPOTRV-VCHYOVAHSA-N	501.797	7.170	50	40	KKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)o2)cc1	97968639	HMWCPKXBXOBBCJ-ACXJOVJBSA-N	560.672	6.812	50	40	KKGB	
Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)/C(C#N)=C/c3ccc4c(c3)OCO4)c2)cc1Cl	97982939	AWQOXDMJSRGVTA-LZYBPNLTSA-N	530.389	5.377	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C(C#N)[C@H]2c2ccccc2)cc1	98048568	KQOMWKILPYVLNP-MUUNZHRXSA-N	620.653	6.589	50	40	KKGB	
Cn1c(=O)c2c(Nc3ccccc3)cc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)nc2n(C)c1=O	100020388	CZXIDYMLMMBIKK-UHFFFAOYSA-N	557.594	5.185	50	40	KKGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)COc1cc(C)c(Br)cc1Br	100044686	GHXYEMITYBQOGT-KKMKTNMSSA-N	565.184	5.439	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1	100289642	KUOMIPIAICYUFE-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(C)cc2)cc1OC	100303945	RCJKJMCFCAJPJG-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)OCc3ccccc3)=C(C)N2)cc1	102808290	SRLZPNXULIQNQH-NDEPHWFRSA-N	545.060	6.404	50	40	KKGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1cccc(/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)c1	102937554	MBFVLVBNGDKJKJ-OUEBHWDRSA-N	589.655	6.035	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	103789610	MLGBIKKITUZECU-QLYXXIJNSA-N	563.683	6.409	50	40	KKGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1	103899994	XSIBUJHSQYPLHN-WEMUVCOSSA-N	540.645	5.195	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	150383016	ZWNHXLAQFFNWEL-CXFKPSQXSA-N	637.526	7.066	50	40	KKGB	
NNC(=O)[C@H](CSC(c1ccccc1)c1ccccc1)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1	150383122	UNCVLMNZIBQLLX-WVILEFPPSA-N	781.016	8.004	50	40	KKGB	
COCc1cc(C)nc(SCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c1C#N	150418773	JLSVEBMNRCSZAC-HASSKWOGSA-N	650.602	7.538	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@H]([C@@H]3ON=C(c4ccc(Cl)cc4)[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	169811319	TVEXPMZTLXPLLA-OOWNPLFKSA-N	648.079	7.474	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OC)ccc1OCc1ccccc1	408539428	HNBFDUDTBNRRRK-MTDXEUNCSA-N	548.639	7.106	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Br	408540386	RCSYTNGLCYWLDT-ZXSNDDASSA-N	660.447	8.693	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OCc1ccc(C)cc1	408542997	MINSBMUHUCNSPL-NHDPSOOVSA-N	549.412	6.745	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c(C#N)c1C	408546006	BYAZVQDJLNDTIC-FYJGNVAPSA-N	542.060	6.789	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccccc1C#N	408551065	APZJFAWQJIUJAK-SRZZPIQSSA-N	634.499	6.498	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408555882	ZIVRYWAVFAPXRI-FDUMAKPYSA-N	739.479	8.721	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408568641	VQBUWUGNVLFRME-MUFRIFMGSA-N	601.441	5.777	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccc(Br)cc1	408579417	HCMYFEYNWMGMGP-GIJQJNRQSA-N	503.179	7.097	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408579887	LBRCOISJFKACDU-MHWRWJLKSA-N	508.810	6.877	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408580380	PAFASYVTIVEFIP-WOJGMQOQSA-N	518.816	6.251	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1I	408598909	KWZJTYSSVZIQJS-WYMPLXKRSA-N	590.243	5.744	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccccc1	408641538	CPGSBFQOJMQVNB-IUOSPEFCSA-N	629.132	5.011	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408644355	RAHDLRMFPQDGTQ-RDGPPVDQSA-N	647.147	5.164	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408647848	VTVBJKPTJRRMMS-DQDQBAQVSA-N	661.174	5.553	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408647869	VXCMEYWUXGEDTM-VQHPVUNQSA-N	686.011	6.462	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408673771	VBOMUASXFIMCKA-VDERGJSUSA-N	574.191	5.384	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1cccc2ccccc12	408675857	BWJHJBYFXSWECB-FMFFXOCNSA-N	572.503	6.944	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1ccc(N2CCCC2)cc1	408678429	YZTAXYQMJKECTM-LQKURTRISA-N	604.286	5.997	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408680216	FYWCUSAKHRSITG-YZEAIEHJSA-N	646.119	5.237	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(Br)cc1Cl	408687443	OUQWLHSKBKQWQR-YVSFHVDLSA-N	588.669	5.012	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1-c1ccc(-c2ccccc2)cc1	408724162	GRSMXKNTOKWINN-HZQMBONKSA-N	641.569	8.620	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccncc3)c2-c2ccccc2)cc1	408742458	WQCSYBYHGDAYQA-PPOKSSTKSA-N	514.585	6.147	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408743866	VTYWCZCQFVLLDG-ULJHMMPZSA-N	526.434	6.981	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1	408743979	CYWPDXCQAQMIFQ-UYRXBGFRSA-N	511.803	6.626	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747177	KBNCPJOKVGQPKL-SXGWCWSVSA-N	763.993	7.545	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408751678	BMEVJUUNBCMPRG-ZDLGFXPLSA-N	556.210	6.034	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(Br)c1	408753552	GIXTWWPRUQRHCD-YVLHZVERSA-N	530.191	6.475	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408754159	MFGIGUJBDWTIGQ-BOPFTXTBSA-N	653.292	5.684	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc2ccccc2c1	408756561	WCDTVDFJNLHKPC-UUYOSTAYSA-N	592.287	7.498	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2Br)cc1	408760307	WJFHQRQOWVVUMQ-KBVAKVRCSA-N	604.482	5.144	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc(C(C)(C)C)c1O	408762697	FRYABSHBICQHKO-MWBNBJEGSA-N	598.571	7.394	50	40	KKGB	
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C	408771291	FLWQUGUKEQODJI-ZHZULCJRSA-N	503.515	5.478	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408773457	RHIGRHXGLXQGLX-UNOMPAQXSA-N	592.395	7.555	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408793568	FTNBHCLMIWNGAG-CXUHLZMHSA-N	701.096	6.489	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)cc1	408822434	BSBWIOHXXWUODR-NLRVBDNBSA-N	509.005	7.352	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc(F)cc1	408829550	MVGJYTVMPJNCMR-LFVJCYFKSA-N	587.445	7.300	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408830840	GMFVFLWXUZGWGC-OVVQPSECSA-N	623.934	8.959	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(OC)cc1Cl	408835478	XQNMPTHKNXJCBS-RQZCQDPDSA-N	517.796	6.789	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OC	408839707	VLTGSSPSASDWEU-IPPBACCNSA-N	541.460	7.032	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408843837	NWKVUUCPPJKTFU-FJEPWZHXSA-N	640.503	6.173	50	40	KKGB	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408843956	OELPHSLIZLGEQV-UHFFFAOYSA-N	553.254	6.842	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(C)cc1	408845232	PRJIALRRWGTJEX-IZYHBKOJSA-N	676.036	9.020	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408846005	OIMXEIRJTGUSSP-DBSPGSINSA-N	687.432	8.719	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408848839	WHYRGCSWNRBZPY-PTEHHBOZSA-N	733.846	9.461	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1	408850466	ANQZUALQRGJDHI-GKVNEZTPSA-N	557.097	8.181	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1ccccc1Cl	408851514	CHIKLFIMWGBCDS-SRZZPIQSSA-N	585.882	6.321	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408856500	CFAPFGBTMPUVPB-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408862573	GNKJYRJRBUMPRS-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1	408872667	NUPATGIKCZABEH-LICLKQGHSA-N	546.299	6.501	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408873180	ODPXZWSPBCDWGB-ZSNJKBEMSA-N	629.060	6.347	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)ccc1Br	408878657	COZPGPZVDKFFFS-IURWMYGYSA-N	590.469	7.077	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1Br	408881233	MIIQENCGBBVVHF-WOJGMQOQSA-N	637.699	7.230	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OCc1cccc2ccccc12	408893213	GDCIHAJDYYKHGG-BIZUNTBRSA-N	509.993	6.635	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Br)c1	408893567	GWLVMYIPSZUQBH-SRZZPIQSSA-N	509.831	7.152	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1Br	408894870	JNOVWXOQQUVKAF-CPNJWEJPSA-N	556.254	6.735	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408904907	QGFOXELGVPQAMQ-NVJOKUIPSA-N	563.811	5.732	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(Br)c1OCc1ccc(Cl)cc1Cl	408924613	PLXRAYFTERJBMR-LSYYGSJISA-N	750.430	6.072	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408943781	IFKUJGZFAMVAEA-MHZLTWQESA-N	672.547	5.366	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408948785	GRUZJYVMVIHJBN-QQXSKIMKSA-N	550.615	6.048	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)c(OC)c1	408953473	LUVLWCSIGYOWGU-XGBIICRQSA-N	657.123	5.801	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1	408964761	RZILGZXISULGLN-IPPBACCNSA-N	521.333	6.210	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	408969550	PZSDLXRFISFJRB-BIQXANFGSA-N	624.952	6.871	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	408969575	QHDFXTVOABMHDE-CRTBNWAISA-N	608.478	5.685	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408969853	VPQZXJUDLOAOMN-CHDQWGECSA-N	722.404	5.387	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	408970153	BSSAFFXNYREXTR-KCSSXMTESA-N	582.509	5.914	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408970526	AWIIBRWSOZVAHK-OTEQHGRUSA-N	593.555	6.673	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408974102	XEUYWWIOEKKWFB-SYGNGKJYSA-N	623.331	5.418	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)c1nn(-c2ccccc2)c(N)c1C#N	408979901	SYEOMVXELQUEDL-XDHOZWIPSA-N	530.813	6.385	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408999259	UHYFHCIHLKJVBB-KBVAKVRCSA-N	617.412	5.601	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccco2)cc1	409009439	FWLHGPGOIMAKJX-XJAZSINFSA-N	678.495	6.896	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2cccc(C)c2C)cc1	409027712	GOTPPTVNRMIVNS-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1cccc(F)c1	409031758	AYGCGEBBHIEPMB-MWBNBJEGSA-N	601.103	8.088	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409036307	VOJPLNCEJHMCEQ-BRJLIKDPSA-N	503.194	5.137	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	409037692	YHWMBKSMGMRMKO-ATZGPIRCSA-N	615.871	7.569	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1	409092699	WCRWCKJEJFBOEV-PPDIBHTLSA-N	538.225	6.116	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C2=C1CCCC2=O	409134282	NRTVTOAVTODLLO-NRFANRHFSA-N	577.704	6.174	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccccc1C#N	409215630	CPBMGTKNURUSGQ-NHDPSOOVSA-N	504.340	6.271	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccc(Cl)cc1	409220456	ZXPLCWXSXQOJTF-UHFFFAOYSA-N	592.435	6.246	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409225939	UDESTYIUEIOTDW-GZTJUZNOSA-N	540.801	5.674	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409227406	YFFFHEVLTPXFPW-MPFWQEHDSA-N	760.317	7.774	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	409235985	DSQBLJYYBOWGPW-PPDIBHTLSA-N	538.186	5.762	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1	409239445	PZJBNJPEWXZWTJ-QLTNSANVSA-N	523.402	6.350	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	409246169	FXSFPYMGYKZTGK-HMAPJEAMSA-N	584.308	6.455	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409249879	JAPIEVXOMJYCIB-WBIBEUCMSA-N	619.747	7.269	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	409261582	DFHKPUYLABNPPY-VCHYOVAHSA-N	571.225	6.510	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409265721	OFWGIKZZYMHAQK-VXLYETTFSA-N	602.407	6.657	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)ccc1OCc1ccccc1	409303605	NPLDVYZRZDLOSF-AEVGBRMKSA-N	749.480	8.151	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1OCC	409315539	NOWYPMMWHCGZBO-QQXSKIMKSA-N	506.471	5.023	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)ccc1OCc1ccccc1	409316080	KXLNPGIBJJYQRT-QHDYCIAZSA-N	530.624	7.160	50	40	KKGB	
CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1Br	409316371	PXAYQCYEIVNVKL-CFRMEGHHSA-N	528.241	5.562	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)ccc1OCc1ccccc1	409319530	HUFCYQIYGVMRAH-LJUMEUDFSA-N	590.430	6.288	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	409359882	CHBRHPQNDHIRCH-VFLNYLIXSA-N	642.719	6.247	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc(I)cc1	409368443	VYMFDBBAERCHCF-MFOYZWKCSA-N	723.517	7.797	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccs1	409368660	GVAOOCIECSUCAW-MYKKPKGFSA-N	561.310	5.159	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12	409371808	IIMSIEWMOQQYFO-NTFVMDSBSA-N	518.367	5.782	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc(Br)cc1	409395318	MFLIINVMWPRFMK-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397571	LJPIXFOHWTWGKJ-UHFFFAOYSA-N	517.585	6.443	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(F)cccc4c3-c3ccccc3)cc2OC)cc1	409398013	QBTGGMLHVKJPCD-UHFFFAOYSA-N	537.547	5.974	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)OC(C)C	409405126	SEYADPQONJDHOB-BJUCDSOZSA-N	638.515	6.132	50	40	KKGB	
COc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cccc2[N+](=O)[O-])c1	409406338	BUVPZRLGKNYKCI-FZKWRIDDSA-N	608.607	6.166	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccn3-c3ccc(C(=O)O)cc3)o2)cc1	409410531	XXHBMBFNWRCHSP-MNBJERMJSA-N	522.561	5.519	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1	1529546260	DRSFJGPCWAMOFK-LAXCASJBSA-N	627.550	5.457	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cn1)C(N)=C(C#N)[C@H]2c1cc(Br)cs1	705686	RDAFEBKNKDKUAJ-SFHVURJKSA-N	534.277	5.609	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)[C@@H](Br)[C@@H](Br)c2ccc(C(C)C)cc2)cc1	3126972	JRHOYCAUOJVCSZ-ZEQRLZLVSA-N	580.338	6.969	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)c1	8425356	LFCGRZVNJLBFCQ-JCTDHXFVSA-N	516.406	7.195	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(C(=O)OC(C)C)c2)c1C	8812795	JLMGEMXOUACGPK-MZJWZYIUSA-N	512.404	5.194	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	12250503	VILNPRPAINMINP-MHZLTWQESA-N	526.662	5.589	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1	28216156	FFBDFMMIOKPVNR-WYMPLXKRSA-N	501.406	5.148	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)c2C)c1	28217239	FTADJIJDWBKYBV-QCFMCPCVSA-N	518.705	6.621	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	58913466	UWLOEJSEJLIWQF-OKCVXOCRSA-N	521.404	6.282	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	59855648	LGCFWYWLAWFXQH-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C\c1cc(I)c(O)c(I)c1	97940120	IOXUBAMCSZUHGV-MXAYSNPKSA-N	609.205	5.250	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	97960786	FDXDQKRJKUYPBC-ZDLGFXPLSA-N	654.673	6.982	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1	98048523	IELPBGWKGFTXDR-DEOSSOPVSA-N	545.492	6.103	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	100026028	XGPDAZLRVFIYTN-SNFMRGLMSA-N	546.549	5.953	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1C	100129355	QUVLMIPNRDOKJY-CAQPMQTCSA-N	563.123	5.706	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	100936195	NYDCRNJEBIFLCR-QDBXLJEDSA-N	555.330	5.577	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(Br)cc1OCc1ccccc1C#N	100947747	KVCVMXGOQCPWLI-ACXHZZMFSA-N	544.405	5.591	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cc(Cl)ccc2Cl)=C(C#N)[C@@H]1c1ccco1	101305307	IIEMXQQQMSEWNX-HSZRJFAPSA-N	554.455	6.355	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C(C)N1	101555410	MEJHBQZOBOKDLO-GDLZYMKVSA-N	558.103	6.714	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)N1	101630992	LZMAFLRHNALONE-HKBQPEDESA-N	614.683	6.070	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(CC)cc3)NC(C)=C2C(=O)Nc2ccccc2)cc1	102719323	IYTNVRTWTSDNGS-SSEXGKCCSA-N	552.700	6.354	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCCCC(=O)c2ccc(C(C)(C)C)cc2)=C(C#N)[C@H]1c1ccccc1Cl	102808166	CENITZBTBPNKRK-MUUNZHRXSA-N	567.151	6.919	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(F)cc1	102933382	LVAHAPSJKCSHGU-LICLKQGHSA-N	573.318	5.472	50	40	KKGB	
CCO/C=N\C1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	104318283	VOXLHSVVVNMELG-VZZDOBOISA-N	506.562	5.881	50	40	KKGB	
O=[N+]([O-])c1ccc(N/N=C(\N=N/c2ccc(N(CCCl)CCCl)cc2)c2ccc([N+](=O)[O-])cc2)cc1	104382244	PPMNYIVABFDDCZ-UGLSKIMSSA-N	530.372	6.345	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(Cl)cc1	104766433	JXARQKLBTJDPSZ-KBVAKVRCSA-N	576.834	6.338	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]23)cc1	112254687	MVVJESAHXZSFRN-LADZVUMRSA-N	591.667	5.744	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	112255493	PRCVQIJSHGTHRD-AAIMUKTOSA-N	594.498	6.279	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	150385588	POVLLCJDOPTOBV-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
Cc1noc(NS(=O)(=O)c2ccc(/N=N/c3cc(/N=N/c4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3O)cc2)c1C	150398578	CLWFVZOMHLWLGS-QYGUTFKISA-N	826.701	8.930	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	164740785	UPEBLMCMGGYDMP-GHXNOFRVSA-N	623.015	5.760	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl	226384586	LEPONHGAQRNSAC-KTCDIOFUSA-N	581.132	5.270	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc4ccccc34)cc2OC)ccc1OCc1ccccc1	408540095	MZQCUJKFZDKWBZ-QJOVZPHJSA-N	625.519	7.541	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)cc(I)c2OC)c(C#N)c1C	408547006	QFKUKLCZOABUDA-WLRTZDKTSA-N	646.244	5.041	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1ccc2ccccc2c1	408549749	YEPMCTPDZXJNFZ-MBTHVWNTSA-N	537.400	8.241	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553436	WINOQABFYVTZFF-RODHXAHZSA-N	660.583	7.959	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1I	408589542	LTCRVMVRWOQBEA-BHGWPJFGSA-N	512.178	5.769	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408711906	QEGTXUKCZWIURU-LGJNPRDNSA-N	579.778	5.594	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccc(C)cc1	408726629	UJVTVBLNARTPQS-BKUYFWCQSA-N	521.411	6.290	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408743832	BWWZWUAVJQEJLZ-PDGQHHTCSA-N	555.328	5.333	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(I)cc1	408747492	ORZPSYOUDAUJEA-BKUYFWCQSA-N	524.358	5.102	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)cc1C	408784116	SUYFDENMOOCGIL-HAHDFKILSA-N	551.559	6.865	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408791421	XKAALWXKBQHZLH-VXLYETTFSA-N	604.284	7.066	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1	408793648	FZPLYRXUKSLBEK-UDWIEESQSA-N	509.375	6.284	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I	408794752	JXOPBEILHWOKLZ-LZYBPNLTSA-N	630.220	5.000	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2I)cc1	408798813	XEPXFZGYGSNKQP-VCHYOVAHSA-N	636.227	6.035	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(I)c2)cc1	408798818	XHMCXALIEORGLW-XDHOZWIPSA-N	556.331	5.342	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)cc1Cl	408833630	RYTAEWOOFBGLOJ-OMCISZLKSA-N	673.718	7.402	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408834789	VKGOBFUFMPTBHA-DEDYPNTBSA-N	551.824	6.248	50	40	KKGB	
C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408836095	ZDJFBASHRNHKGR-DEDYPNTBSA-N	507.373	6.139	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cccc(Cl)c2)cc1	408837274	BKAONVVGVCMWGV-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408839689	CBXRKYOGFKVPHZ-XODNFHPESA-N	615.333	5.260	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccccc1F	408843514	NLBNGPSPMMWHEX-IIHBXENTSA-N	593.002	6.978	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(I)cc1	408845380	MPWTXCNNRPPNFE-XKZIYDEJSA-N	670.345	6.779	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(C(C)C)cc2)cc1	408863479	MXBMUTXVEJQXMF-HNSNBQBZSA-N	560.695	6.011	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3Br)c(OCC)c2)cc1	408865806	BZEMTXSLVNSINL-DEDYPNTBSA-N	631.308	6.988	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1OCc1cccc2ccccc12	408868374	MHCBDWUJSIERNL-RWPZCVJISA-N	554.384	6.087	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408870991	WOSTXPQCAPURIS-VVEOGCPPSA-N	643.387	5.877	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)c(Br)c1	408893211	GCRFHAGYPCWKIU-CPNJWEJPSA-N	549.266	7.069	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(I)c1OC(=O)c1ccc(OC)cc1	408900146	SYKKZKPIAMMPHJ-WOJGMQOQSA-N	643.390	5.380	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OCC	408904043	CUCLVUMYSZKDGB-FMCGGJTJSA-N	511.214	5.639	50	40	KKGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl	408941659	PYGNQGNZSCWNEH-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408949758	ITVQOIJCDWUPCP-IMRQLAEWSA-N	549.074	7.074	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)c(OC)c1	408952997	LFMIUGPGGMHHFG-HVJLQFNCSA-N	856.306	6.124	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c(OC)c1	408955778	PGKYQLIGGMSSSU-PDQWDMBESA-N	858.855	5.857	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c3ccccc32)c1	408964128	OUJMGXRDLJTMLF-KWZSGBAHSA-N	607.582	7.062	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408965298	VKBKSNYBIZGDPH-MUFRIFMGSA-N	555.572	6.572	50	40	KKGB	
Cc1ccc(OCCOCCOc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	408971105	MDMUGMHRFKKKJQ-HAVVHWLPSA-N	535.438	6.086	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408971665	LENVEFORJCCVNK-XVTPYAIASA-N	778.325	7.751	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(I)cc(I)c1OCc1ccccc1C#N	408972649	UDMDJUSOLRTUBI-MBNHRLPOSA-N	833.292	7.102	50	40	KKGB	
COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCCOc1cc(C)ccc1C(C)C	408973833	VOWDNSWSDATWRG-STBIYBPSSA-N	540.458	6.503	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1Cl	408984484	RLWPDLLFIJHTDE-IDUWFGFVSA-N	672.663	7.121	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1Cl	408984578	RYYMMFGDCCMCBK-ZDLGFXPLSA-N	607.673	7.140	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	408989806	IXTNVTHZSHHLBQ-YUPDPWAVSA-N	644.134	7.234	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1	408992823	SYKVKYMFGUSFKV-KGENOOAVSA-N	626.119	8.116	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408997920	OXNGVOMNDFYQTA-ORBVJSQLSA-N	665.991	7.632	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccccc1	409001528	IYCMXTKXYFBMBB-CTZSLDFKSA-N	568.427	6.084	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409001937	YCMBOWNGUDQSGN-DANHRZQXSA-N	651.566	7.289	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccccc1	409029450	AYYHZJBHZBIWPX-HWIUFGAZSA-N	501.586	6.643	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(Br)cc1	409035996	UZKLFFMTTTUFRM-HQDYHJHZSA-N	692.351	7.620	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)cc3)cs2)cc1	409039601	WYKJDAACYVGMPI-KCSSXMTESA-N	563.639	7.113	50	40	KKGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409041579	WIHAMJQNGDUWKH-MWLSYYOVSA-N	657.249	5.887	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1	409049573	WRFGRYZIKHAMKQ-FYJGNVAPSA-N	534.410	5.089	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409070455	XUTUUKBGJBXMHG-UDWIEESQSA-N	511.380	6.994	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(O)cc1	409089950	NTLGGNGIMPPNCO-NTEUORMPSA-N	503.820	6.311	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409131795	XZXTTYJKKHTQES-IBGZPJMESA-N	536.213	5.593	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1	409162778	HQWZDVSXNDEIME-AMVVHIIESA-N	601.885	5.224	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccc([N+](=O)[O-])c5)(c5ccccc54)[C@@H]3C2=O)cc1	409180529	ZBRSNUQXBVTJTA-DRKUQWCCSA-N	600.631	5.350	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)NC2CCCCC2)nnc1-c1cccc(Cl)c1	409190081	VYLPCZKJNCHYJN-CPNJWEJPSA-N	537.045	6.034	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1	409222843	XUXHEFAEZZMEAX-DIBXZPPDSA-N	515.053	6.702	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccco2)c1	409222963	FQDOEGSALOUZTQ-UHFFFAOYSA-N	611.246	6.040	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccc(Br)cc1	409223101	GSMILJGYDGGTOP-UHFFFAOYSA-N	636.886	6.355	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccccc1F	409236240	FIWOFANCHQZKLR-MUXKCCDJSA-N	503.343	5.398	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl	409257368	QKDXXCQAJVVCKH-LZYBPNLTSA-N	621.688	6.876	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)c(C)c1	409258690	ZAEPHEGGTVVWHC-VXLYETTFSA-N	585.252	6.818	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409266726	RAVJQFHKDLIQOJ-WOJGMQOQSA-N	512.349	6.382	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)ccc1OCc1ccccc1	409318894	YPUVDCUWBBMKSZ-HQDYHJHZSA-N	563.025	6.808	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)ccc1OCc1ccccc1	409320511	BONIDJLVRYVYTO-HQDYHJHZSA-N	579.531	7.148	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)ccc1OCc1ccccc1	409321750	HHIVTMAAXPRGSZ-MJXLXAJKSA-N	612.897	7.016	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1OC	409326642	MSOVLRRKYGPSQZ-MBTHVWNTSA-N	529.818	6.019	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OCC	409327912	XYJNJYTUARFABX-CEUNXORHSA-N	540.638	5.113	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)ccc1OC	409331984	FKWXRHWLNOFIII-MUXKCCDJSA-N	576.285	6.270	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	409371084	AUJPKBONKVRPJB-IUXPMGMMSA-N	504.167	7.307	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409372256	UPJPLWULIQKDFG-LSCVHKIXSA-N	557.300	5.759	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409372288	DDHIZEZRFORCQF-WQRHYEAKSA-N	596.400	6.095	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409380571	NRLLJZAYKIEHOO-CPNJWEJPSA-N	550.409	5.420	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c(O)c1	409393409	WYIDLUKIMKOXFP-RPPGKUMJSA-N	519.779	5.168	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)[nH]c12	409394876	GYQAEMKDBFBUHT-UHFFFAOYSA-N	744.665	9.067	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(I)cc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409396696	AFANQGLNDVBFHY-UHFFFAOYSA-N	703.489	6.365	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397975	PWDGQTJXSMYJRW-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)cc1OCC	409398146	RECXSQALSZPXEM-UHFFFAOYSA-N	612.082	7.277	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccco1	409398948	WVTXYTBVKALVTO-UHFFFAOYSA-N	562.807	6.827	50	40	KKGB	
COC(=O)[C@@H](C)n1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409400097	BIOGXWNDZCEJFC-FRDFWOCJSA-N	538.604	5.719	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409402496	VWWGYYZCFRCGFX-ZMGVVAQMSA-N	624.488	5.743	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(CC(=O)O)c4ccccc34)o2)cc1	409404511	QCHQDZUVTIHASS-MNDYBZJGSA-N	510.550	5.069	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409407455	ZVBVYDGRLKZKRX-ZQDAKBDFSA-N	652.542	6.522	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	1529548199	YWIKITDZOPTIDO-VUSQDURTSA-N	785.342	6.982	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc(Cl)c(Cl)c1	1529549195	UZEWZSKDCQGOFD-JQJFYRLNSA-N	879.342	6.667	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1	1529549380	XJQIYZWCLKHJSY-QLGGRFKNSA-N	716.998	5.475	50	40	KKGB	
C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C(=O)OCC)c1C	2376998	SOOVAKZQVVHWCV-AQTBWJFISA-N	507.637	6.293	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2cc(Cl)ccc2O)n1-c1ccccc1	2738744	IFIIBFVKCFWFTC-HHNYEPMJSA-N	555.491	5.831	50	40	KKGB	
O=C(N/N=C/c1cccc(OC(=O)c2ccccc2Cl)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1	3083436	OJOURDZTONQGKJ-IHQYTQDJSA-N	530.005	5.542	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	3143477	CYJHAYOOUYREIC-JJRPROGJSA-N	558.388	5.359	50	40	KKGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1	3225324	KSRACKNKJUAABR-GKPLWNPISA-N	579.465	5.475	50	40	KKGB	
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1Cl	3279673	CUDIFHWPYPIDKN-UHFFFAOYSA-N	507.351	5.502	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1	6148437	NMTLAINIRRRCBU-SFQUDFHCSA-N	524.827	6.955	50	40	KKGB	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	6271015	FASOSCYVFHGAAS-LGMDPLHJSA-N	502.577	6.300	50	40	KKGB	
CC1(C)[C@@]2(C(=O)Nc3nc4c(s3)CCCC4)CC[C@]1(C(Br)Br)[C@H]2Br	8440312	CBGCKYQNLWIFBQ-LQAWEQHXSA-N	541.147	5.646	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc4ccccc4c3)nc3ccccc3c2=O)cc1	9427879	JAQHBVBTNBANJT-ZCTHSVRISA-N	508.603	5.180	50	40	KKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(O)c3)c2-c2ccccc2)cc1	12363921	RABGCFUEBAOBJV-QNKGDIEWSA-N	515.569	6.067	50	40	KKGB	
Cc1ccsc1/C=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1	13940861	JTBPDGRSCLHKBL-ROTLSHHCSA-N	502.452	5.853	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	20233037	DWBDIOGODOMVNC-DFKUXCBWSA-N	527.646	5.635	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccc(Cl)cc3)c2C)cc1	20243671	YBHFJMCGOMMPEW-RPPGKUMJSA-N	504.881	6.202	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cccc(Cl)c1	59427543	SVCHPMUSGGEILI-FMFFXOCNSA-N	510.424	7.882	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)sc2c1CCCC2	97960893	XKSQOMUWUIALCQ-IBBHUPRXSA-N	531.600	5.923	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125325	WRXDWLSJACYVKU-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100127252	RQHGPBUNKIBROB-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(C)cc2)cc1	100380143	ZPHHATYCRAGOKH-FDAWAROLSA-N	625.614	6.233	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br	101665774	FLZDWKDQJYWBMO-XODNFHPESA-N	613.266	5.708	50	40	KKGB	
CC(C)(C)c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)o1	101751045	QCACYBIHOWIKPY-SVBPBHIXSA-N	574.685	5.377	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(F)cc2)cc1	102078551	LXBVYRNRXSFYBD-HVBJHMBASA-N	526.420	6.506	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc(C)c1	103884145	DOHJVKONUCHGIY-UQQQWYQISA-N	607.492	5.833	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1cccc(F)c1	103890952	LLTFNYAJCJGHOB-BKUYFWCQSA-N	525.407	7.384	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	103895579	UTSHWCHKYJPWFG-OCSSWDANSA-N	533.572	5.148	50	40	KKGB	
C(#CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104168689	QOUUZSUQDLGQQT-UHFFFAOYSA-N	578.676	6.443	50	40	KKGB	
C[C@]12CC[C@H](OC(=O)/C=C/c3ccccc3N(CCCl)CCCl)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12	104275831	XZWKOCGAAATECU-APWSNIDESA-N	575.621	6.807	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1Br	104401908	ZQOOXWCFTLPXBO-BRJLIKDPSA-N	567.075	6.317	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)c(Cl)c1	104952090	PJGJHGYVXGHKKY-VCHYOVAHSA-N	538.456	6.939	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1cc(Br)ccc1O	112255818	OWTOHVJCLRLIIK-OPEKNORGSA-N	583.074	6.023	50	40	KKGB	
CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1)N2	150415275	VNGLZAQKXPQCPS-YWKXIQQWSA-N	663.579	8.683	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1)N2	150434096	LQZJYWUXBWEHRM-DJBZMEIGSA-N	649.552	8.293	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1cccc2ccccc12	226695388	UJZMKWVGOSSGKV-WJTQWYFCSA-N	568.455	6.308	50	40	KKGB	
O=C1[C@H]([C@H](Br)[C@]2(Br)C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1	245239575	KOMNALVZOLETHI-YRHDVGGASA-N	732.345	6.218	50	40	KKGB	
COc1cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1	408539122	TVXHKCQYCSWLEU-XIEYBQDHSA-N	506.558	6.104	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC	408539398	HBZWBONKNLTSOV-RCCKNPSSSA-N	535.320	8.414	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408539546	XFAWZDLZEMPMHV-OJYCWLPVSA-N	698.525	9.890	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554198	ZZYLBHHDAQQQKL-NUJZUDFISA-N	579.278	5.865	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(F)cc1	408581121	UVPYNULKLZQLDP-YBFXNURJSA-N	578.219	7.235	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408613479	ZVDLPDQFMMJVLA-XKJRVUDJSA-N	510.299	5.680	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408641359	KBFKMJOVSOIDNF-FPCVCCKLSA-N	686.011	6.462	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408650274	MDEUACAOQHRFSS-QHAWAJNXSA-N	521.828	5.406	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408710654	CPCXAPLDHWDRLK-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	408711676	FJOXHUWOVBZEFL-MNDYBZJGSA-N	627.306	6.667	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCc1ccc(Cl)cc1	408711847	NIBUBMZLBLWAHL-RPPGKUMJSA-N	646.650	5.901	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)c(Cl)c1	408735601	UWJBIXLHIIKSES-YBFXNURJSA-N	515.824	7.479	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Br	408738331	VCFPBIPZJWHWHF-LGJNPRDNSA-N	525.384	5.050	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(I)c1OCc1ccccc1	408758469	KLUIVUZRKHTBFZ-YDZHTSKRSA-N	560.391	6.578	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OCc1ccccc1	408759825	MKDYCLKDZDSFHP-MFOYZWKCSA-N	579.221	6.731	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc(Br)c1	408775769	RUSBVOMFOPGOHC-ZSOIEALJSA-N	566.717	7.367	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c(C)n1-c1ccc(Br)cc1	408788787	HAZWXDORWBUYHK-NSKAYECMSA-N	529.649	6.346	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2cc(Cl)ccc2C)cc1	408790588	SMFUIBAVFHAJNE-UHFFFAOYSA-N	532.150	6.929	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC	408791666	ALQLQZQHUNQBHM-WOJGMQOQSA-N	502.352	5.417	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408796031	OCJBFQZIPCVEGE-WPWMEQJKSA-N	553.058	7.751	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1c(C)ccc2ccccc12	408797263	CAZJQGXXTWBMJG-FYJGNVAPSA-N	517.412	7.588	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408817921	WQJLXUDRTSHVRW-LGUFXXKBSA-N	579.483	8.850	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccccc1	408819585	XVZLJZUNJQXAIX-KKJJZKEWSA-N	634.255	6.259	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl	408825209	ASIRDQIMZXBEHG-OEAKJJBVSA-N	593.894	8.359	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(=O)(=O)c1ccccc1	408828080	KYFIJJLNBIAMDB-XJECJHNESA-N	721.457	7.006	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	408832543	ZJTWAOAOZSKCQZ-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408838005	BKGPFQZRCGCXNX-AABVJFSESA-N	692.979	8.229	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1	408845645	QTMWHDZUZZFLQB-KCSSXMTESA-N	570.443	6.301	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845986	QDXRNCSQTSQCGZ-QQMJPZKZSA-N	812.742	10.224	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccccc1	408847187	ZYFDQXKMGIVTFP-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408849343	ZTAGBVZCTJZORY-XJECJHNESA-N	662.009	8.630	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)cc2)cc1	408849805	ZFHAWZXOONDMAI-ZXSNDDASSA-N	503.577	6.935	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(C)n(Cc3ccccc3)c3ccccc23)cc1	408856004	HRTOYJONZZKGDL-GMEAVFFOSA-N	522.652	7.528	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408861301	PYRPUQIHCPIIRE-KCSSXMTESA-N	655.958	5.466	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408863132	LNEWTPBEGDHAPE-KCSSXMTESA-N	639.572	5.528	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408864958	AGZKPOAPMYXIMK-QNKGDIEWSA-N	587.698	5.327	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1Cl	408888086	SKPNZQABROZXNY-GIDUJCDVSA-N	567.212	7.342	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Br)cc1	408889775	JARHZUFTGJXRPF-DEDYPNTBSA-N	525.424	5.688	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1cc(C)cc(C)c1	408892071	ANSGHZXDYXHDKZ-CIAFOILYSA-N	570.402	6.571	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12	408894906	LAPNDCNGLIVEBQ-STBIYBPSSA-N	503.396	6.344	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(Cl)cc2)cc1	408908127	TZZBXOAJYLUCFI-FJEPWZHXSA-N	592.888	6.261	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2Br)cc1	408925374	RPERBWCCKXRJMO-MHWRWJLKSA-N	619.837	5.282	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2Cl)c(OC)c1	408942513	GBSVBCDTDNSZIA-MUUNZHRXSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)OCC)cc2)c(OC)c1	408948328	CSSIMCAMGSCCOL-KUSRIXJQSA-N	713.571	5.478	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)c(OC)c1	408949256	FGJZLTSLXICQBV-LSTDAIIBSA-N	685.561	5.700	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4cccc(F)c4)cc3)c2C)c(OC)c1	408952555	KRUYWDVNKIZWLF-QGOGVWFISA-N	683.737	5.541	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408963129	ADJYYVZJZUMZAB-UVHMKAGCSA-N	538.900	5.644	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	408978761	JVUYGSPPWSWEFX-SQEMJAKJSA-N	542.430	5.269	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccccc1F	408983060	JYMQMYSZKOEOBY-VCHYOVAHSA-N	529.793	6.683	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408996468	PHXJEFAXAIUOMJ-FWBDCHAOSA-N	825.961	8.708	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409007946	SECGCGFKEGQSBN-DBFSUHOCSA-N	648.308	5.917	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409011029	FMFPYURKMPCCKG-SAEPALGJSA-N	620.577	7.641	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cc2cc(Br)cc(I)c2o1	409012363	JLXIBDMDTHORPF-XODNFHPESA-N	598.238	6.567	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C)cc1	409016987	URJOMTSCMZACII-MNBJERMJSA-N	511.578	5.094	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1cccc(Cl)c1	409030329	FKCYDGNHRMIVBP-IZYHBKOJSA-N	676.036	9.020	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409031998	IIJOPHJGDDQSQP-OHUYPAJKSA-N	611.452	6.924	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409093193	XZIDPRXOCODQQS-RIYZIHGNSA-N	555.297	5.318	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409096198	JQCVZGPIRPLETK-XMMPIXPASA-N	637.257	6.523	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12)c1cccc2ccccc12	409178186	KXDLFYUVYMDFRC-QHXSYMKWSA-N	565.604	5.946	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1	409225230	KBRTUAFSOLNTEU-JCMHNJIXSA-N	548.437	5.131	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1	409255820	ZTUAPMIGLVORPG-ZMFRSBBQSA-N	522.745	5.356	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1	409259784	FHJIQNVWAOOSER-ODLFYWEKSA-N	538.829	6.283	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SCCS1	409260933	YRZXQKPPUUQEKN-BHGWPJFGSA-N	578.779	6.480	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1	409263869	NBCHFVFUULJMCF-XMHGGMMESA-N	505.958	5.310	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c(C)c1	409268131	QFSFGAQOISWFGB-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OC	409312654	NGCMUERCJUJQNM-NUJZUDFISA-N	564.263	6.672	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)ccc1OC	409314620	MABVKVSZKOJIIF-MBTHVWNTSA-N	619.412	5.348	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccc(Br)cc1	409324111	RBGUCNPCQCZVAR-BKUYFWCQSA-N	549.262	8.017	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OCC	409324229	RSPOTJDNOVXBHB-LJUMEUDFSA-N	596.478	5.511	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1OCC	409326923	OTKHRFSGISZLDI-NTFVMDSBSA-N	540.414	5.028	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409344697	JRZOCEBKHXUEDI-QIAFAXPKSA-N	552.252	5.917	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccccc1	409359110	VXSLUMLIRYTYNY-KBKYJPHKSA-N	651.069	6.546	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)ccc1OCc1ccccc1	409369479	BZEPALRWBSBOQB-UCMJSZAQSA-N	553.615	5.454	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)N1CCCC1	409369677	VEKJBOFIOMIIDE-CXUHLZMHSA-N	508.185	5.459	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409370796	UHLAHZKWAKAURI-IUXPMGMMSA-N	615.092	8.012	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)c1	409395861	SOHCRVUDAGPITK-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397114	GJAUJMOEIMUFOF-UHFFFAOYSA-N	660.424	6.339	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)O	409404641	QNOSQYZEAHSIGF-AAPHRLRXSA-N	630.879	5.918	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c3)o2)cc1	409405930	VJNWPWJQIVHZAL-CNCDYAKUSA-N	609.035	5.922	50	40	KKGB	
COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1	2353321	KKQABWLIMUOFMN-UOFJPCGLSA-N	518.042	5.812	50	40	KKGB	
C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C(=O)OCC)c1C	2383287	LJLMUWPRQRFUEJ-WJDWOHSUSA-N	523.592	5.405	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1Cl)N2	4045292	ZBICCFULFLDWCM-KBNSAFIFSA-N	515.418	6.985	50	40	KKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1	4077593	VBOXYIBKQIKQFO-QUNVQEFESA-N	518.367	5.376	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccc(Br)cc1	6166472	XUTDCQIFZZYJDF-IWOXMVTDSA-N	609.546	5.644	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccc(Cl)c(Cl)c1	8438156	WYLCJESSAKXJEK-HSZRJFAPSA-N	609.247	6.499	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl	9187409	DAUIPMUKUYCUDJ-QAEAHILHSA-N	507.377	6.348	50	40	KKGB	
CC1=C(C/C=C(C)\C=N\NC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)C(C)(C)CCC1	15938446	GZRRNLWDNYSUMM-MJBJEGBESA-N	518.499	8.176	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccco1	20150249	XYMOUMRKBCCYJR-OAQYLSRUSA-N	503.502	5.095	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1	20233378	WYMHUHWXBCOCCE-OCSSWDANSA-N	518.038	5.322	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccc(Br)cc1	59445177	DCUQQTJTNZKWMA-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)c1nc(O)c2ccccc2n1	97947241	ODKILIYHCBIRIH-ULJHMMPZSA-N	539.570	6.970	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)OCc2ccccc2)N1	97951267	NUQFXSMWODNSJK-NDEPHWFRSA-N	545.060	6.256	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1Cl)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1	98008400	ZAFMHIHRFDZIHL-IBGZPJMESA-N	533.835	6.013	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1	100128326	RWLYTRCIRUZNDB-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(C)cc2)cc1OC	100303979	UYVBYXNZYDJHFW-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)Cc2ccccc2)cc1	100350240	ZKWHFJDGHYYWPE-KYHGBAKBSA-N	599.540	5.751	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N\NC(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccc(C)cc3)ccc21	100852213	RIPPMFOSEBJEHW-GKVNEZTPSA-N	600.792	7.910	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)c3ccccc3n2)OC(N)=C(C#N)[C@H]1c1cccc(OC)c1OC	100986205	YYAWWFATLWDPSF-AREMUKBSSA-N	580.666	5.731	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C(=O)OCCOC)c1C	101056091	OXEXERDNQMPJSE-CYVLTUHYSA-N	547.658	6.290	50	40	KKGB	
Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)nc2ccccc21	101088138	GAFYTNCPGCMSRK-BWAHOGKJSA-N	525.587	7.208	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)S(=O)(=O)c1ccc(Br)cc1	102898383	KXLOYSNYUBBJGU-MHWRWJLKSA-N	538.173	5.718	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C(C)\C=C\c1ccccc1	103854394	BROYUTUZQKOFRJ-MLVFDSPKSA-N	586.503	5.367	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc2ccccc2c1	103890439	ZWLYXKBSIJYUTN-XKZIYDEJSA-N	551.857	8.323	50	40	KKGB	
C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(C)NC(=O)CC[C@@H]34)[C@]1(C)CC[C@H](OC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C2	104187486	NVRRKGOJPMOAEG-SVPOIDGJSA-N	577.637	6.726	50	40	KKGB	
N#C/C(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)=C1/NC(c2ccc(F)cc2)=CS1	105968422	QRQVEUWDFGQZEN-LYBHJNIJSA-N	517.636	5.866	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	112258671	OBJSNUDSRLOVQC-WOJGMQOQSA-N	563.433	6.294	50	40	KKGB	
c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCCCO3)cc1	138018239	UENGBNLSVKNPJN-UHFFFAOYSA-N	636.712	8.202	50	40	KKGB	
CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341298	WDEMRQCEWKUIHS-ZETCQYMHSA-N	794.168	10.676	50	40	KKGB	
CC(C)Cc1cccc(C(C)C)c1NC(=O)CCC(=O)N/N=C1C(=N\NC(=O)CCC(=O)Nc2c(C(C)C)cccc2C(C)C)/[C@@H](c2ccc3c(c2)OCO3)Oc2ccccc2/1	150435036	GOYJSRGDJJYCTP-ZNULPGLRSA-N	843.038	9.248	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N/Nc2ncnc(N/N=C/c3ccc(N(CCCl)CCCl)cc3)c2Br)cc1	150483890	IAQQCTDMZAECMS-JZFGTTBJSA-N	675.290	6.699	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	216062285	JNLPPVYGWSWTLO-RWPZCVJISA-N	576.285	6.352	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1C#N	408550745	JNOPUSYTUHOCKC-ZMFRSBBQSA-N	509.403	7.516	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1ccc(N2CCCC2)cc1	408678371	XQRQZLWJYOEORW-JVWAILMASA-N	523.387	5.300	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)ccc1I	408745724	ABFTWNOYFJIIJC-BRJLIKDPSA-N	610.202	5.313	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408745772	PAESVFXIYPWTKV-PXNMLYILSA-N	611.117	7.652	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)ccc1I	408748133	YXQPCQIRQKVYCP-NUGSKGIGSA-N	604.582	5.648	50	40	KKGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccccc1Br	408754982	PKDCHSRHOWTQJN-WGOQTCKBSA-N	509.381	5.134	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408759438	FAABSGGEQORACK-PDGQHHTCSA-N	614.430	5.272	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1cccc(C)c1	408795308	LZFNHXBFTBJZQR-UDWIEESQSA-N	617.281	6.886	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1cccc2ccccc12	408795770	NBOPNLJRCIOIGB-HYARGMPZSA-N	561.863	7.779	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc(F)cc1	408821931	ANAUBWNEELQITR-WSDLNYQXSA-N	656.335	8.607	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	408823051	CFAWHKVKXJGDCT-YDZHTSKRSA-N	731.268	9.621	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccc(Cl)cc3)o2)cc1	408827021	KCCXJVNFEHZYLF-FZPRHHONSA-N	613.523	5.052	50	40	KKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OCC	408831967	IBQGJTYKVFJQCD-KGENOOAVSA-N	525.432	7.306	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2ccc(C(C)C)cc2)cc1	408832469	YWQSYFXJBPXRHV-NMPDFMRKSA-N	626.779	5.720	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	408833016	YSEHXGGQBQNJJY-HNSNBQBZSA-N	593.149	6.109	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408835561	NVMRZXPFNSWEJZ-OCSSWDANSA-N	536.053	5.705	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(C)cc2C)cc1	408863376	NQMXWJYEMWWJNR-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(Cl)c1	408866199	GEJREIWVYHHCBN-GIJQJNRQSA-N	626.800	7.487	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc(Br)c1OCc1ccccc1	408871306	ZDBULQGKDYWCRW-JHGCKGDJSA-N	630.564	6.575	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1	408878835	CFFANVFIAARNMX-FABQOPTDSA-N	586.035	6.827	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cc(C)cc(C)c1	408888502	WESHUQHTYMYUBM-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408890059	NCXPONLVNLUNMU-WOJGMQOQSA-N	564.969	6.379	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c(OC)c1	408923166	JPRBBTSHCZCSLE-IQUHHECQSA-N	683.765	6.540	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccccc1F	408926244	WMPFGIDHOIZFNL-RQZCQDPDSA-N	574.790	6.673	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2Cl)c(OC)c1	408951252	IDXWAYTYQOEZBM-VVYBVRPNSA-N	764.855	6.173	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccc(F)cc1	408953260	PLHVEJGPKYIDSX-XYGWBWBKSA-N	509.581	5.889	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	408971626	KMNBURXPQLZPBR-VJYWRWSRSA-N	696.462	8.257	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1sc2c(c1C#N)CCCC2	409001894	XLWCYZSBJSPIEM-BCHBDCPOSA-N	576.314	5.901	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1cc2cc(Br)cc(I)c2o1	409017849	GEDQUPHJJTWHJE-YSURURNPSA-N	553.125	5.963	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1nc2ccccc2[nH]1	409048244	RZMWXJGTYSRZEU-LZYBPNLTSA-N	527.191	6.870	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(F)c1	409051992	HMCBMXPYQVZATB-KKMKTNMSSA-N	505.771	5.902	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409066625	LVYBECSHHIMZLW-GZTJUZNOSA-N	517.390	5.624	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OS(=O)(=O)c1ccccc1	409071239	QCBPCYCBYJHJMG-CPNJWEJPSA-N	541.423	5.470	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)Cc2cccc(Cl)c2)cc1	409075733	ZWNIYMUZTWQRJM-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C)cc1	409147472	WVILLDRIKRPIKH-HHHXNRCGSA-N	594.550	6.118	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)c3ccc4c(c3)OCO4)c3ccccc3)o2)c(Br)c1	409168669	NYZPXDAFKFQESW-WHYXJLTFSA-N	560.404	5.368	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409226028	RKQDURYHVGLBAY-UHFFFAOYSA-N	734.184	7.483	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1ccc(Br)cc1	409242155	NAMOGBQXKCCNDB-ZMFRSBBQSA-N	520.196	5.623	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1cccc(F)c1	409242982	XFLMNZZYPGPSLR-WCEBZYJUSA-N	509.375	5.960	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccccc1C#N	409244748	IEARUPARWYTFSK-OYKKKHCWSA-N	530.422	5.564	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccccc1Cl	409250513	MQXJYAOWXOLAAH-YBFXNURJSA-N	615.855	6.133	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OC	409309089	BFQASSZKSVEPPG-LJUMEUDFSA-N	643.478	5.353	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1cccc(Cl)c1	409310365	ATEOKYQJLBMWLP-CAQPMQTCSA-N	531.008	6.279	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OCC	409323556	OIASEEZNDLNXNH-CPDSRJINSA-N	643.305	6.747	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2c(O)ccc3ccccc23)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409369150	FIPKJODIRBCEHR-LJUMEUDFSA-N	529.662	5.120	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409371830	PYNIBSSPXNNDQT-IDUWFGFVSA-N	534.193	7.316	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409388638	VTEQQTHZIFWYCG-NVMNQCDNSA-N	668.229	5.479	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccccc1Cl	409394665	DJIBXTULPPHEPO-UHFFFAOYSA-N	698.742	7.839	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409394696	DSSVXLOXRMYCDH-UHFFFAOYSA-N	698.742	7.839	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)c1	409395927	UBXRUZUEDKOCJS-UHFFFAOYSA-N	552.428	6.889	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409396755	ASUITPYXODTBLT-UHFFFAOYSA-N	640.843	8.253	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409396988	DRXRURADONQHOS-UHFFFAOYSA-N	563.610	6.152	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)o2)cc1	409403967	OVZNDFDDVVXYPC-HQDYHJHZSA-N	599.043	7.171	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1	1529545673	AJNQVHKCXWWYHF-MKEMXLLOSA-N	671.559	5.156	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1	1279185	OLCMQAZZKMJGNC-NDEPHWFRSA-N	559.091	6.364	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	2260509	MJAJWGVKMQGSSX-JJRPROGJSA-N	513.937	5.250	50	40	KKGB	
CC(/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)=C\c1ccccc1	2328473	PWZUCRAKOIWPKS-JTVFZYTOSA-N	502.043	6.194	50	40	KKGB	
Cc1c(NP(=O)(c2ccc(Br)cc2)c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C	3204004	OKDWFDHCSUYVOB-UHFFFAOYSA-N	561.214	5.350	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccccc1Cl	4196278	XTRZSQSFPVNAOZ-VCHYOVAHSA-N	533.647	7.517	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	8457117	VAEXQOWMCXJHRT-FEIWSWQDSA-N	718.048	7.488	50	40	KKGB	
C[C@@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Br)/C(=C/c2ccccc2Br)C1	8783233	WSRKTDJYRJVWBN-CGXWMZJBSA-N	512.245	6.787	50	40	KKGB	
COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3ccc(C)c(Cl)c3)CSC2=C1C#N	9693467	FYFZPISPEVLUSF-MRXNPFEDSA-N	504.837	5.639	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccccc2)cc1	15229957	GEXGEPKOPPIBTD-GRDXZWITSA-N	527.646	5.134	50	40	KKGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	16157585	ANSHGRJKEXDOIA-LGJNPRDNSA-N	503.849	6.065	50	40	KKGB	
O=C(N/N=C\c1cc(O)c(Br)cc1Br)C1c2ccccc2Oc2ccccc21	67197110	MEJNQSHFRPUMBE-MYKKPKGFSA-N	502.162	5.305	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	97950409	DOSNQZHTXQJXSX-VWLOTQADSA-N	548.462	6.301	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	97958489	PSNQKZMFLQYBOZ-GXTVTXEOSA-N	547.442	6.241	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1F	97960635	UNCAESKUJKFVGC-LICLKQGHSA-N	519.787	7.309	50	40	KKGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1	97967408	YDVPVBZDIPDLFO-GZEZKJQASA-N	586.442	5.059	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Br	97971096	QZYKNVQNXBVJCI-XSYXJYRBSA-N	641.522	5.664	50	40	KKGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2c(C)nn(-c3ccc(Cl)cc3)c2Cl)c1	97980726	YIWLNNXJWUJKRL-RWPZCVJISA-N	558.447	5.061	50	40	KKGB	
CCOc1ccc(N2CSC3=C(C#N)[C@H](c4cc(Br)c(O)c(OCC)c4)CC(=O)N3C2)cc1	98048418	PEIGCQLOOWPMNQ-SFHVURJKSA-N	530.444	5.172	50	40	KKGB	
CCCCc1oc2ccccc2c1C(=O)C1=C[C@H](I)[C@H](OCCNCC)C(I)=C1	100016899	KIFXWKABTAJKBU-SBUREZEXSA-N	619.281	6.015	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	100475490	ABNJXHXPNZAICV-LFIBNONCSA-N	526.730	5.776	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)ccc2OC)=C(C#N)[C@@H]1c1ccccc1Cl	101042395	AVVGTQRBYYKYDQ-DEOSSOPVSA-N	544.460	5.799	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(S[C@H](C(=O)c2ccccc2)C(C)C)=C(C#N)[C@H]1c1ccccc1OC	102579032	APSOVDLAHNGTRJ-JOMNFKBKSA-N	552.696	6.732	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	103883176	RLWCCFRVGIJZPR-HMAPJEAMSA-N	536.415	5.526	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103889705	IKLUSGHPZNDRNA-SXGWCWSVSA-N	594.192	6.631	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)cc1OC	103896538	VEULPIBEYNOBRO-OKCVXOCRSA-N	588.469	5.616	50	40	KKGB	
CC[C@@H](Cl)COP(=O)(OC[C@H](Cl)CC)O/C(C)=C(\C)OP(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161421	LIYOQJAPSXULFY-GLGKQTPQSA-N	610.276	8.623	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C/c1ccc(F)cc1	109089270	OGTIBPYTYVFTQL-PNOYGBBQSA-N	629.520	6.723	50	40	KKGB	
CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341456	BLYLSYMYLNBZHE-SNVBAGLBSA-N	986.270	13.752	50	40	KKGB	
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	169747985	VWNXEDLLHIFAOL-YOVDOAOFSA-N	964.186	10.471	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c(C)c1	216041262	NWLZXOXNUWROTM-ULPWCQAASA-N	693.150	7.091	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccc(Br)cc1	408544188	SRTSXOAVBBUUDN-VXLYETTFSA-N	567.281	7.357	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550313	COTQZQPOJMFPLU-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408551036	AGERIJQSEKPQTM-LFVJCYFKSA-N	567.114	7.684	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1	408611025	PNKUUHGJVDSFDV-IPPBACCNSA-N	532.811	5.879	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408650138	ZNQOHPHWAJRAOD-QZCFVMSDSA-N	645.175	5.852	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1cccc(Br)c1	408723353	SFHCRUJOGJLSCI-LKANYEMDSA-N	610.895	6.069	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408725120	HGTGXZYOWFFRSW-NDENLUEZSA-N	525.830	6.798	50	40	KKGB	
O=C(N/N=C(\COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Br)cc1)c1ccccc1	408734045	FXSSNVJSEARSRK-XPXRSFDGSA-N	543.505	7.130	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)c1	408744380	FETHXGMNYVUFAS-OYKKKHCWSA-N	512.993	7.025	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408746251	CZAIMKHIEBFOKZ-KYHGBAKBSA-N	584.297	6.721	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCc1ccc(Cl)c(Cl)c1	408805135	IRORSANTLDOKIK-VCHYOVAHSA-N	531.823	7.179	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc(Cl)cc1	408823068	DJWFNIHZRAPYNL-OVVQPSECSA-N	553.058	7.751	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408824072	PGASWSCUWWQHHS-JOXMEQDKSA-N	774.148	7.281	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2	408825372	CSLSOINABQYHPF-KBVAKVRCSA-N	582.000	5.174	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408829285	OYNWLMUJTPXYGM-FABQOPTDSA-N	602.034	6.283	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408830660	YTYQWZKOZPVSHU-XSFVSMFZSA-N	568.265	6.901	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(OC)cc1Cl	408837130	ZDDNUNGBJDLRQV-GIJQJNRQSA-N	557.828	6.253	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408839402	RPXQPPIFZQDICA-RBWYEQHESA-N	801.955	10.473	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCCc1ccccc1	408839510	ABRCOZHMUMKCDB-QJOMJCCJSA-N	628.965	6.897	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC	408840568	ZILQPXMZBMBJMP-FJEPWZHXSA-N	646.938	7.373	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)CSc3nnnn3-c3ccc(Cl)cc3)cc2Br)cc1	408841510	JMIZGNOTFLMDPM-NVJOKUIPSA-N	650.784	5.971	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc6ccccc6c5)c(I)c4)cc3)cs2)cc1	408841689	GSSRCPHATYCZGR-HASSKWOGSA-N	694.598	8.963	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408842421	OUFGHOPVSDLKRR-KNBZMSCYSA-N	684.223	6.567	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408845581	HUPWTVKXQTWQCV-WBIBEUCMSA-N	722.275	9.083	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	408846888	ZKHUIBLRMJTJIS-JJKQSNDFSA-N	633.446	6.638	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC#N	408848452	ZBRCSBYNCBOBIX-MZFJOGFUSA-N	557.448	6.280	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(Br)cc1OCc1ccc(Cl)cc1Cl	408851461	ZPDDMMNMJNFHFF-VYVUJPJFSA-N	696.017	7.728	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408855790	DTZLTROXVZGOEI-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC	408861748	AEOFELDJCPVANS-RWPZCVJISA-N	527.415	5.055	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	408863140	PLLLSYKXZKENFT-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1Cc1ccccc1Cl	408865897	CNQDSXCSLFNGPE-RQZCQDPDSA-N	564.694	7.944	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1	408865907	DRMXGMNNRNIDKQ-LPYMAVHISA-N	566.439	6.452	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1cccc2ccccc12	408866524	GRULBAYVCPSLSW-DCVUVCBVSA-N	582.482	6.699	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl	408869815	RQFZSHCPSPDAKT-ZMGVVAQMSA-N	603.959	6.396	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1	408891326	OQLVCDHPPSBCIS-FMFFXOCNSA-N	593.746	5.796	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(I)c1OCc1ccccc1C	408923522	JGENKZLLVDBLJA-CCVNUDIWSA-N	601.466	5.961	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408946351	MIXGRAJTQNTPEC-MHZLTWQESA-N	855.449	5.268	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c(OC)c1	408958436	YUPYXTDJJDBBMP-WLCOTJRJSA-N	691.568	6.454	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408978385	ZDHUJFMFTIGEHY-QCHBRLADSA-N	648.710	6.405	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408981400	AWAAQGHNCQXMCS-IDUWFGFVSA-N	536.242	7.742	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=N/NC(=O)[C@H](COCc5ccccc5)NC(=O)OC(C)(C)C)cc4[N+](=O)[O-])sc3c2)cc1	408992423	RVBNIVRQOGSXHA-LMAMAKFXSA-N	740.864	7.477	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OC)c1OCc1cccc2ccccc12	409008964	PJOLFERRAAQZGD-KVAAJVFYSA-N	695.351	8.033	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12	409018311	UMXHLCUPYDHVHP-BBPOPZCVSA-N	636.576	7.183	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1ccc(F)cc1	409023703	CLIWNKCKIOCJSX-LICLKQGHSA-N	530.191	6.475	50	40	KKGB	
C#CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc23)c2cccc(C)c21	409039974	RXGUANNIDSJMAL-OHUYPAJKSA-N	505.021	6.832	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1OCc1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409050039	SEXNINARPXOCSB-KVAAJVFYSA-N	696.770	8.265	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)Cc2c(Cl)cccc2Cl)cc1	409061559	FOSFXWFVMKFQHJ-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1	409112228	FLPWCPDOHFMCLW-MWBNBJEGSA-N	701.585	6.542	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(C)n(-c4ccc(I)c(C)c4)c3C)cc2c1	409185022	PQDZPROXGMAXJH-MZJWZYIUSA-N	541.389	5.916	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccccc3)c2)cc1OCC	409222835	DHLSRGVRTFPHPG-WPBYNGCASA-N	656.533	6.882	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409226625	VIGQPNGKKSBGCR-DJKOCUMLSA-N	613.026	6.282	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)c1ccc(Cl)cc1	409226921	WPDBRWUKINYRMQ-QIIRSOPZSA-N	600.889	6.613	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409261090	BAPODNULVFYSNU-WKIKZPBSSA-N	530.806	5.201	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409263239	ILWFEFANXAKCIU-KULFSUQXSA-N	660.583	7.959	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409267805	XSWFDGCAUFKDLA-UDWIEESQSA-N	564.436	5.733	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409269052	DHSMYOSSQZRMFV-UDWIEESQSA-N	519.985	5.624	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409269986	NDOSZEQLYJSARM-ZZUCRVHTSA-N	546.838	5.738	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)c1	409271011	JFNXAZOFUUWMSV-QDTIIGTASA-N	500.382	5.400	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409273423	XWGKDIHJVXTJOT-YBFXNURJSA-N	507.949	5.668	50	40	KKGB	
COc1ccccc1/C=N\NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1	409369124	CYQHTPRSLJLJLW-WKIKZPBSSA-N	585.307	5.106	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C(=O)O)cc1	409371666	JPEQUIWSJMFYTF-JMIUGGIZSA-N	570.339	5.939	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409373838	IOFOZBXTAGAHTJ-YVLHZVERSA-N	535.373	5.863	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1ccc(C(=O)O)cc1	409373861	VNPBHOLWIANNLW-WCMJOSRZSA-N	624.431	5.893	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(Cl)cc1	409384312	ATCZZLDIKVHCIN-XODNFHPESA-N	635.867	6.809	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395489	OFJWSGUSFCJFEW-UHFFFAOYSA-N	788.629	10.322	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccccc1	409395547	OYAKXPSLAPUKQA-UHFFFAOYSA-N	538.401	6.581	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)c1	409395732	RCTGQKLGHOIUMS-UHFFFAOYSA-N	710.220	8.414	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409398316	SMJXCQJDMDQYLQ-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(F)cc3)o2)cc1	409403759	NTQGLYYEEKIVOW-QMRORBIVSA-N	617.033	7.310	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccccc3F)o2)cc1	409404772	QXWCFPOKWLZLEG-QMRORBIVSA-N	617.033	7.310	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1	2636752	KJOBKBBYVRFHBE-FMFFXOCNSA-N	547.636	5.892	50	40	KKGB	
O=C1OC2(c3ccc(N=C=S)cc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br	4544124	XHXYXYGSUXANME-UHFFFAOYSA-N	704.972	7.450	50	40	KKGB	in-vitro
CC(=O)N(/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2c(=O)n1-c1ccccc1	6073642	PVXAKRMWTZLFOP-QNKGDIEWSA-N	524.584	5.625	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Br)cc1)N2	6445720	KYBQEDLMFBSDRF-FPVDIDMMSA-N	594.940	6.043	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)cc1	8427063	XJQOXHZIJWZYNK-RQXXSLPSSA-N	585.704	7.254	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2[N+](=O)[O-])cc1	97980650	GJFAXXYXCVXNFU-JXAWBTAJSA-N	523.561	7.545	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	100063374	XCDHCWXLZXBSMF-CCVNUDIWSA-N	536.253	6.426	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)c(C)c1	100127601	VFOILCNUDXTFMV-ZCTHSVRISA-N	544.677	5.420	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc(OC)c1OC	100326462	VHDQTCOGOOKKJI-HNSNBQBZSA-N	608.116	5.834	50	40	KKGB	
Brc1ccc(/C=N/c2nnc(SSc3nnc(/N=C/c4ccc(Br)cc4)s3)s2)cc1	101063520	IBQRVKUDGDJVIT-VGENTYGXSA-N	598.396	7.215	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1C#N	103889880	WPIJIBMLAPJAPC-NVMNQCDNSA-N	557.231	6.761	50	40	KKGB	
COc1ccc(-c2nc(-c3ccc(/N=C\c4ccc(N(CCCl)CCCl)cc4)cc3)cs2)cc1OC	104053246	NVWITHKRQOENOQ-MNBJERMJSA-N	540.516	7.529	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1cccc(C(=O)O)c1	105593255	YLXURABFXSMUJN-VXLYETTFSA-N	548.020	5.983	50	40	KKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5CC[C@]4(C)[C@@]3(O5)[C@@H](Br)[C@H](Br)[C@@]21C	118915673	XRRHDGKBIMJRKD-UYUDBPIUSA-N	546.384	6.503	50	40	KKGB	in-vitro
CCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341938	ZJTRNBYUXIFYSI-OAQYLSRUSA-N	940.539	15.502	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)c2cc(Cl)ccc2OC)cc1OC	164795819	BBUPNQHYZSRIFF-XICOUIIWSA-N	651.141	5.354	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795403	BDFJPLJASNYKDT-ZIAGYGMSSA-N	886.222	12.211	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	408538791	QUYWFTPIGAMLCQ-IMRQLAEWSA-N	597.509	7.860	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1	408539638	XTIPXALAVNVDBL-OOAXWGSJSA-N	534.612	6.798	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)COc3ccc(Br)cc3Br)c3ccccc32)c1	408541578	GSKQQFVSRBVSNL-DBFSUHOCSA-N	599.279	5.530	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1ccc(C(=O)O)cc1	408543113	PBNOVDLWCGJQKG-ODLFYWEKSA-N	515.734	6.286	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(C(=O)OCC)c1C	408546121	DGNOUEWVJWOJSS-XQNSMLJCSA-N	602.108	7.514	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(I)cc1	408550086	DMSLVLYJMIJZSG-CFRMEGHHSA-N	565.838	8.140	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553069	WRZRCYAZYMNYDW-WSDLNYQXSA-N	741.392	7.986	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1C(F)(F)F)Nc1ccc(Cl)c(Cl)c1	408553730	PICBTKXTSUUKSU-OHUIHDMLSA-N	589.195	6.556	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408565936	CMMHWPCKNLJITR-XAZZYMPDSA-N	627.204	8.088	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1N1CCOCC1	408605820	NEPZNPBPEHXNCL-JJIBRWJFSA-N	551.647	5.497	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408612882	ZENISIPYCBCUOQ-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccccc1	408741271	HVVWFVIXGOTLLP-PDGQHHTCSA-N	606.201	6.020	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408745767	OZJIQVPQONLOOK-UNOMPAQXSA-N	507.340	5.281	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1cccc2ccccc12	408748079	YBWCOLZJPQUOQL-BKUYFWCQSA-N	547.836	7.389	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408752662	JCSWJNGOLXXRCS-LFIBNONCSA-N	562.387	5.614	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408759850	MVMJUXJDVPOYTA-UNOMPAQXSA-N	616.433	5.124	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408760834	AFYNOUJLCRAVCM-WKULSOCRSA-N	568.265	6.716	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)[nH]c2cc1C	408786411	JMYAIVFWNDVVPX-SXGWCWSVSA-N	512.875	7.617	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408790820	RFBLZVUODHKQLW-WSDLNYQXSA-N	596.421	6.130	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2I)c1	408793284	DSQXKRKKNXFNGX-YBFXNURJSA-N	528.777	6.378	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408794600	IZUFKIYEMQACFE-LPYMAVHISA-N	529.390	6.441	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(I)cc1	408794761	SVTDDVGWUHEOBI-WOJGMQOQSA-N	684.699	7.073	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl	408795142	BNEUVQDIPJICDD-KGENOOAVSA-N	531.837	7.689	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(I)cc1	408796416	OZHDBUVXCDXIOX-BUVRLJJBSA-N	742.351	7.608	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408797412	RTJIFIFIRCMVGA-NLRVBDNBSA-N	504.542	6.088	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408803273	NCUZQAVHLMIGRI-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	408837246	AVROXSDJCRPJQB-FMFFXOCNSA-N	621.115	5.102	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccccc1C#N	408838032	BMCZVNOFRXDGRX-IZYHBKOJSA-N	699.574	7.690	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839219	OXTHLHSQUDCKLE-ATZGPIRCSA-N	617.956	8.313	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccccc2)c(I)c1	408845048	QEXQEFIBNZLDMY-XAZZYMPDSA-N	636.437	6.782	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	408848688	XTYIZFQUJIVPIL-VQWGYEAZSA-N	700.584	9.486	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(OC)c1OCc1ccccc1C#N	408848843	WIZAGTILKSVNLB-BBUXEPKYSA-N	613.743	7.814	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc2ccccc12	408849688	XWQRILWCBGDLQK-JDQUBRHVSA-N	575.712	8.677	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408887343	PVBQMWQIMOPOPV-VIZOYTHASA-N	581.637	7.442	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408888669	YQHIGGSWGQTXPF-JVWAILMASA-N	644.509	7.620	50	40	KKGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408904981	RKHYWAUESCDQLZ-UZWMFBFFSA-N	583.429	6.885	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccc(OC)cc1	408923353	IBLNPEIPQMGQEU-QGOAFFKASA-N	512.971	5.061	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)c2)cc1	408924991	PWEZSBQTQLOMNE-OQLLNIDSSA-N	548.360	5.224	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)c(OC)c1	408925009	RMTCOQZUBZFMDN-UAYGDVLMSA-N	697.792	6.848	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408939016	ATQSXWBERLUKSF-JGCGQSQUSA-N	711.668	6.585	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)cc1	408971544	IHPPBOVRNYUGKC-CPNJWEJPSA-N	537.022	5.584	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5C)cc4s3)c([N+](=O)[O-])c2)c1	408987221	AVVWRZXNMBNKPY-PXLXIMEGSA-N	605.701	7.771	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4ccc(Cl)cc4)cc3[N+](=O)[O-])sc2c1	408990775	LYPXZLFHZNZPSN-XSFVSMFZSA-N	626.119	8.116	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc(C)c1	409014601	NGIYMAVWQZMKGS-FFWFIYGGSA-N	552.071	5.296	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccccc1	409035741	QDZYGOAUOMCAFY-GXBUFBABSA-N	580.482	7.406	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(I)c1OCc1cccc2ccccc12	409043904	AAMTXCOLZPJHAE-FJEPWZHXSA-N	594.405	5.454	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409044745	OXSRAJVBNOTXTM-KVAAJVFYSA-N	560.868	8.205	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409047095	MZIBRTJJHBSANZ-RRFUMQHGSA-N	510.259	6.611	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409076039	WVFAPCKFWZFXCD-FOWTUZBSSA-N	503.363	5.315	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409085846	SQFPYJHCFZGXMR-DEDYPNTBSA-N	514.494	5.887	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409089576	JCYYXGNRTIPWFC-SFQUDFHCSA-N	511.412	5.738	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1cccc(Cl)c1	409130190	LZPLLWQCMRTMLR-JOCHJYFZSA-N	576.818	5.737	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409151172	AKHGXYIHTZNXHL-AMVVHIIESA-N	553.273	7.138	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1	409154341	NQQNMNXRGVYYCS-IBBHUPRXSA-N	636.330	6.041	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2cc(OC)c(OC)c(OC)c2)c1	409219616	SJBOLNZCKSIYEZ-UHFFFAOYSA-N	775.834	7.135	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409223689	HQGARACVFXHSGZ-XDHOZWIPSA-N	550.409	5.425	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409226885	WKCQZSQNGDBJQT-UHFFFAOYSA-N	572.017	5.983	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(I)cc1	409238933	OPEBEZLIDQPANM-MUXKCCDJSA-N	566.798	5.754	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1cccc(F)c1	409250653	XSIKEBNVQSEMIU-UCQKPKSFSA-N	584.429	6.064	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409251211	OWIJZWPGXSPEDF-WKIKZPBSSA-N	575.803	5.191	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)ccc1OCc1ccccc1	409251314	PKLMSXLBUPCBPR-KOKCXWAISA-N	695.010	7.569	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409252972	UOMWXWNLJJLAGY-WQRHYEAKSA-N	510.377	5.874	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409259514	AAHIYQDCLYWJGU-KOKCXWAISA-N	698.643	8.113	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409259802	FRSDKZLKHVUZPI-XDHOZWIPSA-N	615.855	6.215	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409266051	JJMUYQUACNLLBK-YDZHTSKRSA-N	562.464	5.706	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)c(C)c1	409268329	SGKBYKPWFSCLQC-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1OCC	409310301	UEVSLCLILJVWGQ-MWLSYYOVSA-N	554.441	5.336	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OC	409313679	PCPWYCHZIURDTN-UHBFCERESA-N	529.420	6.308	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OC	409315001	UOFFTCJYSHXIGS-NUJZUDFISA-N	521.828	6.787	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1OC	409323379	NQYSSAOAGDRHBS-CPDSRJINSA-N	562.837	6.002	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1OC	409330970	CZBWTZMIYHCMJU-MWLSYYOVSA-N	509.990	5.227	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409373440	SSIYRUBLEXDDJW-ZRGSRPPYSA-N	720.099	5.838	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCc1cccc2ccccc12	409383900	OAPMVMCLYBPCOZ-FYJGNVAPSA-N	606.510	8.298	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc34)[nH]c2c1	409390426	CZRSCMQKRPVCDT-ZHZULCJRSA-N	510.391	7.130	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409394574	CIQDDWWNZMLTPN-UHFFFAOYSA-N	686.733	8.449	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)cc1OCC	409394698	DTYMWINCCMTAIY-UHFFFAOYSA-N	808.738	10.101	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1	409394937	HTAMCRJKTZNJFJ-UHFFFAOYSA-N	631.324	7.651	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)cc1	409395001	IPUZAQHIZQUNDD-UHFFFAOYSA-N	566.455	7.197	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395400	NDXNGBZVLFGAEZ-UHFFFAOYSA-N	554.562	6.879	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)c(-c3ccccc3Cl)c2c1	409395693	QSYCJDGRPMXYBW-UHFFFAOYSA-N	630.926	7.941	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)cc1OCC	409396220	XDWFOGUQRWUSAK-UHFFFAOYSA-N	786.848	8.636	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)cc1OCC	409397476	KHBCLQNDAOWLEE-UHFFFAOYSA-N	607.663	6.633	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409403793	OCKWCTBTQVLIOT-QUFIRZMCSA-N	589.645	5.378	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	1529546912	IEACYYRXVFOGKI-HVJLQFNCSA-N	783.472	6.071	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(OC)c1	1529547246	JWNWMLZNAVUJHW-NSJAHCMFSA-N	764.642	5.917	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)NCCOC(=O)CBr	2061000507	MXHGMSRLTNPBDK-UHFFFAOYSA-N	506.522	5.845	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)c(Br)c1O	1101259	NOLCRUNCXDZYGA-DHDCSXOGSA-N	533.220	5.063	50	40	KKGB	
C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)c2C(N)=O)C1	1254594	BZTGLKAYNPXDMM-AUWXEVLLSA-N	500.407	6.084	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccccc1Br	1835934	MLVFHIMLFACPIO-WYMPLXKRSA-N	529.510	5.989	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1c(F)cccc1Cl	2236780	SQXBVPDHIAIXOP-XODNFHPESA-N	527.046	5.361	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	2329268	AXGQWPNLNJMZKT-ZCTHSVRISA-N	511.695	6.345	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1ccc(C(C)(C)C)cc1	2705687	ZLSCJUMNIRUZDV-RPPGKUMJSA-N	595.361	5.736	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c(Br)c(Br)c1O	3036620	QRWPOGNISXZJBO-XODNFHPESA-N	584.349	6.559	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	59646234	SLXBZPXBBMFKND-RWPZCVJISA-N	573.414	5.507	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)S(C)(=O)=O)cc1C	59646892	HCBVFSSOFMVJRT-STBIYBPSSA-N	546.605	5.202	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C	68569374	HFSJNSPDLDRBFD-NXRLPBELSA-N	599.603	5.442	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N	97965679	KNEARIQPSDOXME-KLPHOBTLSA-N	561.079	6.537	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1	98048529	GZSHWHHTDSJXQO-DEOSSOPVSA-N	579.044	6.469	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)c1C	100097875	BWIPWNRVJASVKW-XFAFFCHDSA-N	606.091	6.562	50	40	KKGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	100231634	YFWOQBGFDUWONH-ZVMVXCPKSA-N	564.085	5.819	50	40	KKGB	
COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1	100286703	GEBQYQZVYFBRQI-BIZUNTBRSA-N	602.510	6.110	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	102808719	FLQJFEPUAJGMPI-SANMLTNESA-N	580.632	6.930	50	40	KKGB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	102990234	LRVRLUQCKJRIAK-KPKJPENVSA-N	533.259	7.071	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1	103896316	XQKALSVVJJXKOV-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	106060585	QPFSHZSFHRLISO-MXAYSNPKSA-N	544.526	8.414	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c(C#N)c1C	107765818	STOXTZYXYZEGPZ-KEBDBYFISA-N	583.493	7.108	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC(=O)CBr)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C	118936166	KHVIWBCFNVESQF-ACJZQGMZSA-N	507.597	8.024	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cc(C)cc(C)c2)cc1OC	150474487	IHDPZYVVSWPVKF-KVAAJVFYSA-N	643.593	6.381	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	150621961	PGVIYLCDMOGAFF-KPGMTVGESA-N	639.361	7.566	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1	150662796	SQJGTMKHNJETFE-UYRXBGFRSA-N	650.254	6.419	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cc2cc(Br)cc(Br)c2o1	209533847	JFTHOCRABQZVNF-RPPGKUMJSA-N	564.686	7.526	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253617030	JBHLEOSHZKKTQZ-HARZOLGZSA-N	693.521	6.391	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539206	FSEGUGHORGZMDS-ICUTVXMZSA-N	560.650	6.708	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540868	WPFRGAJCZYSJMI-PTZDRTPLSA-N	725.636	8.366	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1ccc2ccccc2c1	408547993	BLQJLQIWNXVMBC-QRVIBDJDSA-N	566.236	7.850	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408551128	BSTJTSXGHVHIAM-YVLHZVERSA-N	558.805	5.997	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	408553198	MQKZZDUIAYVZLX-HQDYHJHZSA-N	592.479	6.753	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408553998	XYGYTKUXUXOKAL-WQRHYEAKSA-N	554.386	5.352	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554067	YSZCXEQDXJQFJT-CXUHLZMHSA-N	670.718	7.213	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	408566918	JDMVBXBFNVIHJP-FJEPWZHXSA-N	686.759	7.119	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408568343	JBAYWZRRZOFKGM-SXGWCWSVSA-N	540.292	5.858	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Cl	408581090	UIYGFMMYKGIGFY-LZYBPNLTSA-N	550.667	7.799	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1	408582675	OUBOJCWWSUJZMN-SFQUDFHCSA-N	504.789	5.943	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)cc1OC	408583006	QSXGVHZNVDTDDR-VCHYOVAHSA-N	593.293	6.369	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408644108	QRNYIXKNLGVIKQ-NGSHPTGOSA-N	792.231	5.739	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21	408659579	VYBYBLYVDUIJMA-ZKZNVZPYSA-N	568.284	6.082	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408679329	DTSOTSRRNGLVCR-VQHPVUNQSA-N	634.108	5.381	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408689486	YGYJMLYORZAUCW-XVMGYKCHSA-N	645.573	5.438	50	40	KKGB	
CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1	408735962	YULMCGDCMYEZPI-XICOUIIWSA-N	594.716	5.686	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Cl)c1Cl	408736676	FEBNJQJWXWJYFZ-HQYUJTHISA-N	527.408	5.325	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741880	OGSBXPRYIKEQTO-SBWWSWLISA-N	626.554	8.917	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408743278	FMVMDRMBTQBYDN-PDGQHHTCSA-N	508.328	5.491	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	408747122	ZSZWJLANXOQEEB-NDENLUEZSA-N	568.367	5.513	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)ccc1OCc1cccc2ccccc12	408754528	NUVPDPRMWYJRSE-JCMHNJIXSA-N	560.391	6.578	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)ccc1OS(=O)(=O)c1ccc(C)cc1	408765064	JYYHJRFNPDRXML-RGEXLXHISA-N	588.423	5.312	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408772505	MFVSDOQYSPZRAK-JMIUGGIZSA-N	604.328	8.066	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408791943	FOPAFOUMHIILPG-UDWIEESQSA-N	525.388	6.303	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408792003	GKPWIGYECXMVRG-RQZCQDPDSA-N	542.773	6.144	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1	408796908	ZNTBCQBIBXLKAH-PXLXIMEGSA-N	549.421	6.149	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	408798130	UQWXPEYDAMCURO-VXLYETTFSA-N	525.786	6.234	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)c1	408815460	JKNLLOLVIDNNBO-MOHJPFBDSA-N	534.685	7.141	50	40	KKGB	
CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408822568	BEELLJQQCDMQCZ-DEDYPNTBSA-N	525.830	7.014	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1	408831881	HPYYLLIMOGMRIT-HLJDWQABSA-N	594.520	6.762	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OCc2ccc(Cl)cc2)c1	408836769	VIIQCGSPAMNILP-OEAKJJBVSA-N	593.894	8.359	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408836957	XGFOGJOEMRVIQY-YDZHTSKRSA-N	642.366	9.403	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408839004	LMOMXALLBCFEIU-XODNFHPESA-N	600.336	7.160	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2cc(C)ccc2C)cc1	408856926	IDYAPBJDSLXGMW-UBJCUSJWSA-N	612.752	5.214	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408862824	MQIMGXWFXHPULO-XKJRVUDJSA-N	633.323	5.399	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(F)cc2)cc1	408864496	WLXGPJOOHXJWCV-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408865618	DFYOZWREFDYBIP-VQWGYEAZSA-N	767.529	8.811	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccc(C)cc1	408865794	FSGPDHCWDXGCKS-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1)S(C)(=O)=O	408871448	ZDXRPZYXUCGYHP-WKULSOCRSA-N	608.942	5.169	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(C(=O)O)cc1	408886772	MBJHAMOOMOOMTB-HYARGMPZSA-N	527.374	6.425	50	40	KKGB	
COC(=O)c1ccccc1-c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1	408935492	FAGDXOSZJDUSAD-RGXNXFOYSA-N	503.558	6.263	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(I)c1	408941338	DMLAYKNEGNIHNF-LJAQVGFWSA-N	835.515	5.694	50	40	KKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c1C	408967888	SNMKDFTXPTWCSQ-BRJLIKDPSA-N	519.237	5.651	50	40	KKGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1	408969978	YFCRIZBSTIFORI-STBIYBPSSA-N	512.075	5.287	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408997396	ODZDHOFSCRSUAS-FTCYSYDXSA-N	708.212	5.885	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	409000403	WDDSBSYADJFGRQ-MLCSCPQYSA-N	616.542	6.531	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409001625	JPKOYKHLRHVQCI-XYZUIKHQSA-N	661.007	7.103	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409013045	SJWRLURYBZXKNB-CCVNUDIWSA-N	500.382	5.482	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cc2cc(Br)cc(I)c2o1	409014822	PXMXRYKQEBFWJR-OJYCWLPVSA-N	686.347	8.689	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1cc2cc(Br)cc(I)c2o1	409015105	YRAPQWKSIFPXJV-XAZZYMPDSA-N	704.156	8.059	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2cccc(C)c2C)cc1	409025630	VFODKMRZOMXHLT-FDAWAROLSA-N	511.647	5.209	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409051885	NZPCWTWCKYEAQR-IPBVOBEMSA-N	556.671	7.069	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)cc1	409073075	UTZNVJUAOUAPQV-GZTJUZNOSA-N	531.373	5.093	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl	409078960	JOHJUTABTDUXEP-NTEUORMPSA-N	522.266	7.258	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409082067	PCDDBRCVASSDCM-RAWMCFOBSA-N	553.196	6.016	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccccc2)cc1	409109566	HHAGNMKSAFVXAP-TWKHWXDSSA-N	513.619	5.129	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409178903	JXKVYGCPUYSKQQ-DPNNOFEESA-N	602.326	7.790	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409183604	CGRQASKYOMVNOD-MHDJOFBISA-N	722.401	6.597	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(I)cc1	409189227	NCFDPMQJQHRYKU-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1I	409208481	GGLYHCIBGXUIKZ-ZSOIEALJSA-N	558.113	5.433	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(I)cc1	409211981	LBZJOWZJJWVBHF-KKMKTNMSSA-N	692.744	6.379	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NCCCc1ccccc1	409232189	OQHIZTHKSXBENL-STZFKDTASA-N	544.276	6.991	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409235342	ZTQOIGCQZSIKBX-IUXPMGMMSA-N	718.207	6.737	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OC(C)C	409248537	LBEZEVOSTKSWPN-VXIUPONVSA-N	504.368	5.261	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3C)c(OCC)c2)ccc1OCc1ccccc1	409249898	JKYHKQROCVSXLT-CLHYIUPASA-N	721.592	7.066	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)cc1Cl	409254474	ZHZUQHMZUUNMCZ-ODQASSKESA-N	709.453	8.713	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1	409255890	JGFAUEUEYGUTOK-VHFSBPNMSA-N	709.435	7.588	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	409259796	FOWJPXDBEUHNQT-OJYCWLPVSA-N	602.087	6.498	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409266778	RILLDRDZZRZGML-KOKCXWAISA-N	745.643	7.955	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1OC	409310566	AXMLKKKQYBTHDG-NUJZUDFISA-N	592.259	6.267	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409311927	IMCQUYRULHXMSG-WOJBJXKFSA-N	603.311	5.809	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409352986	FUTKTQGCEXBAIY-VATWTLTGSA-N	562.258	5.373	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409371140	BNAANHGMEPZECY-IWIPYMOSSA-N	528.406	7.408	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cccc([N+](=O)[O-])c1	409372317	VMQXSORDCDQNSH-IUXPMGMMSA-N	626.163	6.586	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C(F)(F)F)c4)c(OCC)c3)c(-c3ccccc3)c2c1	409396503	UIGXXIJXOFNINM-UHFFFAOYSA-N	615.608	7.634	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C#N)cccc4c3-c3ccccc3)cc2OC)c1	409397269	ICRFWAMAWMOOTJ-UHFFFAOYSA-N	544.567	5.707	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Br)cccc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409397549	LCRYWZKFILVUNX-UHFFFAOYSA-N	690.978	8.040	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409398548	UISGMTFLXBEKAF-UHFFFAOYSA-N	663.899	7.475	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409398926	WNOZSVGNEGNMPL-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)o2)cc1	409401228	GZRUKXQDBZFQHD-QMRORBIVSA-N	816.390	7.726	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409404517	QCKNIJVTJMVIFJ-LJUMEUDFSA-N	578.463	6.366	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Cl)cc1	409404711	QRZREXYCAIRBDK-KMUKQRDJSA-N	568.073	7.571	50	40	KKGB	
Cc1cccc(COc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc(Br)cc2[N+](=O)[O-])c1	409405988	VQDBITBNRLQCTL-AEUUOICLSA-N	657.521	7.588	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc(I)cc2)cc1Br	1529548210	ZCQSMNPPPGXXPC-RZNGARSMSA-N	793.478	5.526	50	40	KKGB	
CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1	1742495	WPDZVLFDAUNWGG-RVDMUPIBSA-N	507.369	5.614	50	40	KKGB	
COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1	1818933	CVZXTTRUDRQKPN-UXHLAJHPSA-N	513.667	5.791	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc2c1CC[C@H](C(C)(C)C)C2	1870692	AVSWQYUQSCTRAF-DGDHUYAWSA-N	559.713	7.282	50	40	KKGB	
Cc1cccc(C(P(=O)(c2ccccc2)c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)n1	8691948	XNKQCJMDVZJRHL-UHFFFAOYSA-N	507.510	6.417	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc4ccccc4c3)nnc2-c2ccccc2)cc1	9008685	PTHLSRCORWKDQD-YQYKVWLJSA-N	521.646	6.119	50	40	KKGB	
CCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCCc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1	12273787	SMTDFPJMAXQKNO-VOEFLUBFSA-N	511.647	5.043	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)cc1	26687621	BKVLRTWUSJDGIS-MOHJPFBDSA-N	506.606	6.579	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1	28217149	QJRIMWMAAPCUCW-AMEZEBJKSA-N	526.637	5.771	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@H]1c1ccco1	97950498	JAKVYPRKLWZVLE-MHZLTWQESA-N	528.634	5.612	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)N(c3ccccc3)c3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048744	IMDQCLDNJGWUNZ-XIFFEERXSA-N	602.716	6.834	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	98050521	LHGNLGOVFVHMKS-NDEPHWFRSA-N	544.076	6.608	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c1	100129973	NCNCTVWNTCMFNP-UCMJSZAQSA-N	577.150	5.748	50	40	KKGB	
COc1cc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)ccc1O	100836792	LEMCNMHOWKZQCN-AJBULDERSA-N	543.693	5.887	50	40	KKGB	
COc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)cc3)C2=O)c1	101069608	ZMYPQPRBRNTIIK-HEQFHQOESA-N	504.011	5.722	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2c(C)cccc2CC)=C(C#N)[C@@H]1c1ccccc1Cl	101305135	DPUGTSBOYBLWRO-MHZLTWQESA-N	572.130	6.979	50	40	KKGB	
COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC	102421503	GVGCZKQMGXPSOY-NBVRZTHBSA-N	577.018	6.605	50	40	KKGB	
COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc(Cl)cc4)(c4ccccc43)[C@H]2C1=O	103597891	GNPQUIKKVFFHKK-QJYRWMSASA-N	576.052	5.244	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)cc1Cl	103883628	HTVOKBXFHPCIGP-BKUYFWCQSA-N	601.328	6.599	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889387	XGNYICVYCPTMQX-NVNXTCNLSA-N	599.081	7.782	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccccc2)cc1	103902752	DIWMZEDEBYSJKU-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(C(=O)OCC)c1C	107830665	TXNMXSNUZYKOOU-XNTDXEJSSA-N	556.980	5.950	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)N(CCCl)CCCl)[C@@]4(C)CC[C@@H]32)C1	118928846	GUCZUMLMUMDVHF-SCIWQTMTSA-N	512.562	6.439	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](I)[C@H](OC(=O)C(F)(F)F)C[C@]4(C)[C@H]3CC[C@@]21C	123225286	UOMMDIWLOYTRIE-NTZGDQKTSA-N	610.583	8.995	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	150364743	DJYIZIQVCLLTDR-GXBUFBABSA-N	684.012	5.504	50	40	KKGB	
CCCCCCCCCCCCCCCCCCNC(=O)NNC(=O)CCCCC(=O)NNC(=O)NCCCCCCCCCCCCCCCCCC	150559763	SOJFGPHZCOHAIF-UHFFFAOYSA-N	765.226	11.731	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795278	RDVHFMGVXDYUBV-WDSKDSINSA-N	874.020	10.361	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)ccc1OCc1ccccc1	408539526	WYMLTMHPYXDBLH-ZVHZXABRSA-N	559.449	7.706	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br	408539739	YKLFEIVOPVGVDI-CAQPMQTCSA-N	656.444	8.802	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCc1ccccc1Cl	408612569	VTJIJUCXTKVPQK-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408653907	QCFNACDEFYSRIN-CYJHHTLLSA-N	661.944	7.262	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1cccc(C)c1	408678029	XBQBHHMYZDSZDT-UXHLAJHPSA-N	536.470	6.099	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408682117	IXKUADMZOLWXGR-BQLFOJHWSA-N	646.119	5.237	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(Br)c(Cl)c1	408688527	QQTHYMXWUIKGNX-LTDCPUDJSA-N	588.669	5.012	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(I)c2)c1	408744332	KMCFZLZYDZNULT-HAHDFKILSA-N	544.392	6.878	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1	408746830	WIAZRCJPCMIDBA-PDGQHHTCSA-N	636.227	6.029	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(OC)c2)ccc1I	408747140	JMDIDNCXMJOSSD-LGJNPRDNSA-N	642.231	5.256	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1Cl	408748068	XXCZIGBRLRPGMN-UYRXBGFRSA-N	511.803	6.626	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccc(C(=O)O)cc1	408753161	IHIJJPYDVDXFNA-XKZIYDEJSA-N	547.405	6.009	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1	408763291	OWCMIIZUPVSJDY-PTNGSMBKSA-N	607.236	5.433	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408764579	XNXOEJARDCEXIR-XSFVSMFZSA-N	558.392	6.498	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408773701	WQHMUPVIRLOMPF-JAIQZWGSSA-N	583.382	5.950	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)cc1Cl	408773966	NJCLEZFUGSEGKR-BKUYFWCQSA-N	648.328	6.441	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408782657	YDMJGQODZLATCG-ZCTHSVRISA-N	548.064	5.816	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408790928	SARLNWQYXOPKLA-KEBDBYFISA-N	631.151	8.796	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1cccc(F)c1	408797019	QELHCZTXMNADQA-LZYBPNLTSA-N	550.211	7.028	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1Cl	408799192	YGTXRPFNLRZETJ-LZYBPNLTSA-N	613.666	7.385	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1	408802664	FWJNIXJHBLQFQV-UDWIEESQSA-N	507.384	5.899	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccccc2Br)c1Cl	408812190	CMRUHMPCZCDBGP-OPEKNORGSA-N	525.186	6.033	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408822584	BHIMKNYXKDICLC-ZVHZXABRSA-N	607.921	8.749	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCc1cccc(Cl)c1	408824806	HTQRJOVYCKHWFK-QGMBQPNBSA-N	606.300	7.296	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccccc1C#N	408825963	SFMIMAAOMYRKQE-XKZIYDEJSA-N	516.370	6.313	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Oc2ccccc2)cc1	408837232	ANLBMTDALOCORQ-ZCTHSVRISA-N	564.063	5.628	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)cc1	408838121	RPCNMNLCDWRLKB-MUFRIFMGSA-N	558.443	5.608	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5)c(I)c4)cc3)cs2)cc1	408839790	WISMNDKMHMATJW-DPNNOFEESA-N	644.538	7.810	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1cccc(F)c1	408840345	AUCFKKWOJIEPDD-QNVXDBMFSA-N	712.972	8.302	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408846480	SOPRWDVBSIBZOF-AMVVHIIESA-N	578.437	7.793	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408849764	YUVWHPKCGKYEAQ-VCHYOVAHSA-N	540.345	6.020	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408858741	OZKPZQBDUBQVCX-IBBHUPRXSA-N	606.915	6.569	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	408859738	QBZLWXQWSZBBLZ-WKULSOCRSA-N	564.491	5.196	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccc(Br)cc2)cc1	408866346	HRERAXVSJXLGMM-ZCTHSVRISA-N	592.515	5.682	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccccc1C(=O)O	408882235	OCEZFCMFKVTUFD-NTEUORMPSA-N	553.281	5.302	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c([N+](=O)[O-])c1	408884009	VORQMSKXMCWZSY-RQZCQDPDSA-N	516.768	6.988	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408885932	HAIMRCILWAZOLC-LGJNPRDNSA-N	573.356	5.537	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OC(=O)c1ccccc1	408888626	YAQBSPZHAOOTHL-FMFFXOCNSA-N	530.665	6.298	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408890384	SGAIROMNVZSTIO-FYJGNVAPSA-N	558.388	6.644	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OCc1ccccc1Cl	408898446	LJVZONXTHZLTOO-RQZCQDPDSA-N	579.221	6.731	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3cccc4ccccc34)cc2Cl)cc1	408898588	XFSIQFTYZWRPEN-RWPZCVJISA-N	513.402	5.987	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)cc1	408950664	UCARSKREASZIRX-ZXSNDDASSA-N	529.596	6.494	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)c(OC)c1	408956171	PTGXWKLGSOGAGN-HVJLQFNCSA-N	764.855	6.173	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	408957504	USYPLVJPPBTOTN-MLHLUQNXSA-N	590.477	5.345	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(I)cc1	408963163	XNQCLFJADPGXGR-MSXFZWOLSA-N	528.306	5.117	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)c(F)c1	408968584	XPMWLUREBHMJAO-IPBVOBEMSA-N	549.169	5.704	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408970525	AWIIBRWSOZVAHK-NQDGKPANSA-N	593.555	6.673	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408981501	BKOXIOZMMORWPI-GIJQJNRQSA-N	594.720	8.241	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1	409007211	VIPRKITVLRWVIQ-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1ccc2c3c(cccc13)CC2)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028507	OGXMIDKPIXDXDA-MXEPNMHZSA-N	513.619	5.036	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409064343	OZOURFOOEBXPRR-UXHLAJHPSA-N	558.100	5.177	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)OCO3	409088993	MMDNKQRSDUKVLA-QHCPKHFHSA-N	593.204	6.124	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccc(Cl)cc1	409095173	HFBQAOSEELQHOF-XMMPIXPASA-N	602.812	5.869	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409128184	DWHZYPCGENKWKZ-RUZDIDTESA-N	584.486	5.558	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409131376	IINQTWMTKRNVSG-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409143301	LRGIAZLBMWIPST-FQEVSTJZSA-N	703.112	6.052	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OCC)c2)cc1	409174188	LWCPGWUWRGMXTQ-VTNSRFBWSA-N	676.483	5.114	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409179567	RKKXBWJTBOHZOZ-FJEPWZHXSA-N	680.711	6.974	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(C)cc4)c(OC)c3)cc2c1	409186647	FZQHFABYAPZZDS-FDVSRXAVSA-N	537.410	6.254	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc(O)cc1	409187580	SCNVBBLIEBERGO-WYMPLXKRSA-N	504.178	5.260	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCC(=O)Nc4ccccc4)cc3Br)cc2c1	409189611	LLGSIBQTEVHAJM-UHBFCERESA-N	580.435	5.774	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc2ccccc2c1	409191618	JIAIIQCBJJZRAW-WKULSOCRSA-N	570.814	6.449	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)NCCCc1ccccc1	409238423	ZVUNDGHNCFZSDC-JCMHNJIXSA-N	520.383	5.592	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409249721	KJCHOGSAKOJHCR-BKUYFWCQSA-N	503.986	5.919	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409251180	OVIUQWNQJZYBGS-RGVLZGJSSA-N	538.431	6.572	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1Cl	409257801	SGSXRLTZGAUJQC-QGOAFFKASA-N	510.377	5.955	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)c(OCC(=O)Nc5ccc(C)c(Cl)c5)c(Cl)c4)cc3)cs2)cc1	409266107	ORZUUOPNYRXWKB-FDUMAKPYSA-N	679.029	8.912	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1OC	409311976	IVRWXNGUMDYNAW-MBTHVWNTSA-N	574.269	6.128	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OCC	409313165	NCLUZZOTIJDAAR-BVMLUPFRSA-N	610.332	7.295	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409331425	DCVMUUCKLWVXMU-VQTJNVASSA-N	568.866	5.155	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12	409362920	KKWMLMWGHPSCAO-MUFRIFMGSA-N	503.396	6.262	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409373890	WBJGUTBLEORQCA-FDAWAROLSA-N	525.561	5.837	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC	409380851	BGSMTFONTBABHV-GZTJUZNOSA-N	554.372	5.169	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br	409382685	NOKSSFDSNUDNBA-UYRXBGFRSA-N	520.383	5.329	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccccc1Cl	409396735	ANYMGRXXROECOE-UHFFFAOYSA-N	528.395	7.125	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)c1	409396923	CZUJDJZMUVKMNO-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4cc(Cl)cc(Cl)c4c3-c3ccccc3Cl)cc2OC)c1	409397124	GNXYOUDLCHSYFH-UHFFFAOYSA-N	622.892	7.795	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)c1	409399110	XUKQOKFNHRLYDJ-UHFFFAOYSA-N	539.591	6.980	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409402212	JATPBUWKGLGBOD-OVIUPEKJSA-N	699.542	6.364	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCC(=O)Nc4ccc(Cl)cc4)c(I)c3)o2)cc1	409403544	NIVFOTQEFCKYHK-ADJDCTSUSA-N	848.863	7.910	50	40	KKGB	
Cc1c(Cl)cccc1-c1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)o1	409410251	UJKSBRUJNCABJH-KYHGBAKBSA-N	528.008	7.252	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1	1529546740	HBZKDWQQSVVBOO-MKEMXLLOSA-N	689.991	5.706	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl	1529549374	XJEVNVOLIYNVMA-CKMXFPERSA-N	785.342	6.982	50	40	KKGB	
COc1cc(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC	1531386450	ZGUVBAGPXYZLHY-FDVSRXAVSA-N	552.425	5.810	50	40	KKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2	1875328	BYDRTCBRSXXQBR-DTQAZKPQSA-N	554.024	6.951	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OCc1cccc2ccccc12	2773840	OTPMYJAUMJHHMV-FJEPWZHXSA-N	548.089	6.933	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1ccc(Br)cc1	9360357	UKTACJVSQTUIQI-VEILYXNESA-N	503.400	5.881	50	40	KKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2n1Cc1ccccc1Cl	14152268	MEXRPVNBNYBPQI-XSFVSMFZSA-N	511.050	7.009	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	15982003	CDANEOGLMVBUEE-LDADJPATSA-N	501.505	5.087	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSC3c4ccccc4-c4ccccc43)cc2)cc1	28215119	BCDRDIWOGQYVQG-KCSSXMTESA-N	521.642	5.966	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1	59250000	SOYCFBIUGMWIAM-KAMYIIQDSA-N	503.805	6.791	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(C)cc1	59333031	JVZXANGQWIVYEN-JLPGSUDCSA-N	502.014	5.492	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C/c3cc(OC)c(OCC(=O)Nc4ccc(F)cc4)cc3Br)[nH]c2c1	97961106	QAIIQWUWVGLXJG-CXUHLZMHSA-N	551.372	5.563	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)cc1	97962819	GREDUHFRYUFHKZ-JNOQVAKMSA-N	594.693	5.251	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCCO2	97981211	UAQIRSGBMBQGEQ-KEIPNQJHSA-N	608.091	5.795	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	100136728	BSVACHSOTLATGY-KCSSXMTESA-N	566.054	5.712	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	100240215	JCUANVNLTQHOAN-BIZUNTBRSA-N	594.734	5.699	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100258334	PJMIJKSEMLBOLR-OCSSWDANSA-N	555.487	5.990	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1	101720477	NGFPIWBMXZIEAU-XDHOZWIPSA-N	556.254	6.735	50	40	KKGB	
CCN(CC)c1ccc(/C=C2\CCC(/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)=C2N2CCOCC2)cc1	102945476	ZUGPOUNCYHEYQJ-DVWKHHQNSA-N	542.511	6.411	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1OC	103899897	PPSYQDKJOWVWPF-KVSWJAHQSA-N	568.251	6.125	50	40	KKGB	
C[P@](=O)(c1ccccc1)c1ccccc1OCCCOCCCOc1ccccc1[P@](C)(=O)c1ccccc1	104224876	HOBMYPYHLJBWRH-PDZRJKAFSA-N	562.583	5.829	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12)c1cc(Br)ccc1O	112255213	NMSFYCRXSVXWGA-KVQWCIQESA-N	610.439	5.260	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CC[C@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)CC[C@H](O)C[C@@H]2C[C@H]4O)cc1	118917110	OJNMMFFBVGCZFD-PQLCOEFSSA-N	524.746	5.552	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342318	PTGVAAVUTDOKMP-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
O=C(O)COc1ccc(C(=O)/C(SS/C(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2/C=C(c3ccc(F)cc3)SS2)=C2\C=C(c3ccc(F)cc3)SS2)c(Cl)c1Cl	150435221	ALWDXTSKOJXXNH-KJLMGFARSA-N	976.780	13.248	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408538494	NVBAVEDQIISFJW-ICUTVXMZSA-N	619.231	9.417	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408538955	RZOPCWFGGPKDEH-NDZAJKAJSA-N	562.666	6.865	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)c(C)c1	408553376	VPZHTLBVERKNMI-CAOOACKPSA-N	563.268	7.480	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1OCc1ccc(I)cc1	408568866	LIVNKICQNZRNDT-KCSSXMTESA-N	674.626	7.005	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCc1ccc(Br)cc1	408582044	LJCJLCRCJHXKBV-UDWIEESQSA-N	590.255	7.104	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408642244	DTFDHUWNXUZPFW-PTGATOOUSA-N	794.236	6.139	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408746868	WYTRWHJSXPPGTQ-MFOYZWKCSA-N	562.247	6.898	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408747564	PQBBPISRVPDSMD-VQNDASPWSA-N	576.678	6.540	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c1	408763657	ONEFBLGQBMXALV-HZHRSRAPSA-N	527.418	7.126	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2cc(C)cc(C)c2)cc1	408771465	IDRWWLUJQZRZPS-FMFFXOCNSA-N	535.669	6.264	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408782504	HQHPEFHEDLWCKX-GRSHGNNSSA-N	622.244	6.060	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408788700	FIXLHLUJVZAHKK-PCLIKHOPSA-N	675.479	7.302	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1)NC1CCCCC1	408829320	PFVUUNSJQZIWNJ-XBQJKBNESA-N	566.746	5.733	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(Cl)cc1	408835204	NDEKCVXXAXWUJA-KOEQRZSOSA-N	573.476	8.096	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408835584	OFFUNYGTLSHJLP-VQWGYEAZSA-N	808.593	7.668	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc6ccccc56)c(Cl)c4)cc3)cs2)cc1	408845578	QOQJUQDIBWQKGZ-HASSKWOGSA-N	603.147	9.012	50	40	KKGB	
O=C(NNC(=O)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1)c1ccc(Br)cc1	408849443	YONMJHMTEKMEFS-UHFFFAOYSA-N	573.812	5.553	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)cc(I)c2O)cc1	408849785	ZENNSBKACUVYNZ-MBTHVWNTSA-N	555.803	6.180	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408856197	JGAUOAJMZDVZFC-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)cc1OCc1ccccc1Cl	408859798	ZQGLWHCEBLBVLJ-AAPHRLRXSA-N	614.802	6.700	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408861129	NQKZKRATGFULAF-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1OCC	408871892	YZYAEMJLBVZMRS-ORBVJSQLSA-N	662.346	5.301	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1Cc1cccc(F)c1	408874072	YAXNGLYIOJJOET-RQZCQDPDSA-N	546.767	6.229	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408875893	MDJCYVQMUMZNGH-LGJNPRDNSA-N	503.780	5.219	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1Cc1ccccc1F	408881247	INIBJXXINRIXPO-WOJGMQOQSA-N	544.339	6.105	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(C(=O)O)cc1	408881745	MMPCLCQLMZJZTF-RQZCQDPDSA-N	501.753	6.470	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408888135	XDNLEEQBVVTHIT-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408891661	UKIRHXHSFDNCBF-OQLLNIDSSA-N	518.334	5.215	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc(Br)c1	408896855	UGVVVBQVVOJHLE-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1	408898068	KEDZOBDZMOLEBK-WOJGMQOQSA-N	545.842	6.033	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408953730	XXEGXEGVBVUNCV-MHZLTWQESA-N	808.449	5.426	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408969239	JXTYBDFCPVDUOL-WXVHWUGGSA-N	604.534	6.526	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408971742	KNAZLGDGXGPEED-QELSLTSCSA-N	635.386	6.580	50	40	KKGB	
COc1cccc2cc(C(=O)N/N=C/c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)oc12	408973855	VVLVRWLXEBUTHK-AMVVHIIESA-N	506.389	6.824	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	408974071	WRKAPGQHFJRTQE-NOTPDFKGSA-N	658.174	5.869	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408977975	GMASWZUHLNTFIX-OFGWUUMASA-N	532.424	5.814	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408979577	MYELTCBMFPUGPI-NAMNZIITSA-N	805.451	7.188	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1	408981889	DKEJDIVXFCJKGX-IDUWFGFVSA-N	515.780	6.809	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	408982471	HDYRFBQRDJZXET-XDHOZWIPSA-N	508.836	7.812	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408998931	VISDRNCNWAMISR-ORBVJSQLSA-N	678.186	7.257	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	409005658	JATIWMCOHKLURC-UWTNUKIHSA-N	619.674	6.282	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409040396	YNMMMVFGSZSTCF-KCSSXMTESA-N	522.605	7.036	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1cccc2ccccc12	409040513	YOWDMTNWAIWNCJ-NNLKUIAGSA-N	677.542	8.401	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409041905	KRZDPZMEONSFTM-LZYBPNLTSA-N	614.643	8.008	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)Cc2ccccc2Cl)cc1	409062831	BJZDSORGHBLLNB-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409065611	IABSFKIYSKQTSD-XDHOZWIPSA-N	636.895	6.274	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409068909	UNFABRAORKABFO-MHWRWJLKSA-N	549.786	5.851	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	409083891	WJLYVGRUTXEZTN-MHWRWJLKSA-N	523.299	5.912	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1	409091650	RBOHCHWAHRHLLG-LZYBPNLTSA-N	550.320	7.875	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409156373	FKKDHUJZIKJOTQ-VPUKRXIYSA-N	628.694	5.524	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)NC1CCCC1	409190777	WDIZIPYCPUSKPO-STZFKDTASA-N	522.386	5.989	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409201016	LGXSEQHPMORSDX-ZDLGFXPLSA-N	608.173	6.447	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1	409209198	GUGZOYSZWCTBDU-NDENLUEZSA-N	526.330	6.241	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)cc1)c1ccccc1	409242237	WAEXKFAWCQYWJA-CEZZIEKDSA-N	508.359	5.655	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)c1	409270193	CYUFKKBUJNVQRN-PPDIBHTLSA-N	595.675	5.655	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409270300	PAMBCYVKJTVLLL-KMUKQRDJSA-N	646.538	6.525	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1	409315742	OMSBGVVGSLRRGN-DLCNMLRHSA-N	682.365	7.230	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)ccc1OC	409316627	LRLMSHVJQLPHNE-DICXZTSXSA-N	513.388	5.208	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	409362665	IZZGHWOIIHIPEB-LJUMEUDFSA-N	674.320	6.883	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409366106	YWANJWVAINUOEQ-KKMKTNMSSA-N	596.117	6.115	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1	409367501	CBPNAPLPXNOHQC-KVSWJAHQSA-N	568.251	6.125	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2C(F)(F)F)Cc2ccc(Cl)cc2)c(C)c1	409367922	NXKOZYBMNIRZCV-AQLQTECXSA-N	552.018	5.625	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409371856	AFTQDLNPSNFARB-OKCVXOCRSA-N	533.968	6.152	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	409372774	JVFOFOHVPRFIPR-AMVVHIIESA-N	513.808	7.152	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCc1ccc(Br)cc1	409380385	MDKCBNQAZYKALT-JAIQZWGSSA-N	573.285	6.285	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1cccc(F)c1	409386219	OXSUXIOESFTZDK-XODNFHPESA-N	619.412	6.295	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409395299	MAYIPOGDRIMOGJ-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397538	LAHUPYTWTSTHDZ-UHFFFAOYSA-N	562.582	6.433	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409397547	LCLVQTMGCHCXFX-UHFFFAOYSA-N	616.501	7.759	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409398896	WGJSFVFQVFZNKO-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409406396	WOPFXWODHFGJBC-KOKCXWAISA-N	732.575	6.969	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(Br)cc3Br)o2)cc1	409406920	YBAPTZNISVNHTR-RODHXAHZSA-N	756.289	8.897	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(I)cc1	1529548770	NQVTVVIIXCDXPG-GHUOZWDFSA-N	724.621	5.484	50	40	KKGB	
CCOc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C/c3ccc(Cl)cc3)n2-c2ccccc2)cc1	2098113	RVOBCWIEZDQBES-WMMCOQJOSA-N	535.073	5.562	50	40	KKGB	
O=CC(C(=O)C1CC1)=C(SCc1ccc(Cl)cc1Cl)SCc1ccc(Cl)cc1Cl	2570559	IFILTOKRBZTNDT-UHFFFAOYSA-N	506.303	7.856	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2)cc1	6167459	POXJWEQJCHSVRT-FYIUKZSOSA-N	591.730	6.152	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1Br	8457114	SSHKZMIMPSNHQA-SPASTVGSSA-N	634.756	5.861	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	12250048	PSCYGRNYHPGLOU-MUUNZHRXSA-N	525.630	5.655	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl	15979814	LPWYWVYPNLNRIE-CXUHLZMHSA-N	511.853	7.331	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C\c1cccc(OCc2cccc3ccccc23)c1	31839371	LVNSUMDDNWMMSI-YKQZZPSBSA-N	521.602	5.215	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3cc(C)ccc3c2Cl)ccc1OC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C	97946972	MOLSOESMPDSCDE-UHRIJMKMSA-N	565.906	7.132	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OCc1ccccc1	97966709	CKWIFVDVJKCQGD-NHDPSOOVSA-N	571.452	7.331	50	40	KKGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(c3nnc(SCc4ccc(Cl)cc4)s3)C3=C2C(=O)CC(C)(C)C3)c1	98006088	FHBBGLWZSGFONE-DEOSSOPVSA-N	594.162	6.442	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	100047134	LEOMEJUVCCNLKQ-USKNDPDESA-N	612.436	5.318	50	40	KKGB	
COc1ccccc1/C=N/NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1	100291253	SNNHATJVMQZVOJ-ZCTHSVRISA-N	548.064	5.816	50	40	KKGB	
Cc1ccc2nc(-c3ccc(OCC(=O)N/N=C/c4cc5cccnc5cc4Cl)cc3)cc(-c3ccccc3)c2c1	100815674	WCFJPRBUNLUMPO-HASSKWOGSA-N	557.053	7.608	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)c1C	100971963	YBXVEFGVUCRXBE-ORBPGINVSA-N	522.457	6.675	50	40	KKGB	
O=C(Nc1nccs1)/C(NC(=O)c1ccccc1)=C(\S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102584410	GAOHXWVJOJLHRA-UHFFFAOYSA-O	566.668	5.605	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccco1	102760951	VUUMJBRQLLQFBQ-HHHXNRCGSA-N	570.671	5.698	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(F)c3)=C(C#N)[C@H]2c2ccco2)c1	102808544	VZHKEIKGZZVGDV-SANMLTNESA-N	548.596	5.142	50	40	KKGB	
CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(OC)c2)N[C@]1(O)c1ccccc1	102890813	GWCUINQNOSDHLP-VWYPKUQYSA-N	578.090	5.167	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)o2)cc1C(=O)O	103844322	WBUAZHSOXGZEKU-GUBAARJWSA-N	565.629	7.842	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	103902557	YJIXWOWWRLPUSR-JBASAIQMSA-N	537.682	5.068	50	40	KKGB	
CC(=O)[C@H]1[C@@H]([N+](C)(C)CCI)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118922875	OOYJKRZDSBCHSQ-KFGZADJESA-N	514.512	5.005	50	40	KKGB	
CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341184	GZEYASFPHBZJHX-SCSAIBSYSA-N	802.094	10.141	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795462	XOXBKDJLWQMKFB-HDICACEKSA-N	942.330	13.772	50	40	KKGB	
N#Cc1ccc([C@H](Cl)[C@H](Cl)c2ccc([C@@H](Cl)[C@H](Cl)c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	226333643	SPXGECHQSXUQAE-YCAMKHIRSA-N	564.212	7.766	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2OCC)ccc1OCc1ccccc1	408536763	AYKCEMIDRRLSLA-WGOQTCKBSA-N	661.980	8.604	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)cc2Cl)ccc1OCc1ccccc1	408541450	ZOQNQPUREOBPTL-FFKGLWRNSA-N	671.577	8.512	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408542830	LIFFHJSVIKIPSD-SOFYXZRVSA-N	580.649	7.232	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)c(Cl)c1	408588953	XLFNUZAVNKPUHP-APSNUPSMSA-N	572.511	8.815	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1	408606096	NXOYWTPRLGCGQG-HSZRJFAPSA-N	547.434	5.794	50	40	KKGB	
O=C(NNc1cc(Br)ccc1OCc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408606438	LZWIIJOQYMFHNF-MRXNPFEDSA-N	549.252	5.831	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccco2)cc1	408643209	FURCKQJINPXRTK-STJRFHCOSA-N	739.200	5.824	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(Br)cc1Cl	408689769	SPNVZDJTGKYVAE-VQHPVUNQSA-N	588.669	5.012	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1	408727092	YHKYOTGKPLONHA-MOSHPQCFSA-N	554.384	5.823	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)cc1	408742829	CCTOVGCGUISIAD-KQWNVCNZSA-N	502.998	6.600	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)Nc1ccccc1	408743888	VWEXVNGGIDRBIC-LHLOQNFPSA-N	500.001	8.010	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1	408747086	ZGRUYZXYUNLDFK-YVLHZVERSA-N	715.123	6.792	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408750467	NMSMBYHISUJYOM-FDAWAROLSA-N	637.430	5.173	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Br)c1	408751916	DSMRLHIFJODNLY-JAIQZWGSSA-N	735.157	7.936	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccc2ccccc2c1	408758459	KIHZFOGYEKMPPY-QQXSKIMKSA-N	553.456	7.464	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)c1	408764586	XPKJSUWAVBVAIU-XDHOZWIPSA-N	618.449	5.320	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1Br	408778873	MTUPOYSQKDUKAS-YVLHZVERSA-N	576.672	6.998	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccccc2)cc1	408779356	VIJTXYSQCFDWIB-AJBULDERSA-N	507.615	5.647	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(O)cc1	408789787	LKHHNUVHFIKFJA-VIZOYTHASA-N	691.090	7.033	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	408797714	SRBQKSIZMSSSNC-DEDYPNTBSA-N	511.405	6.915	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408798092	UTSHTAIZVRJSDB-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1	408804121	WCFFCTFTBWUHLL-UDWIEESQSA-N	555.856	7.025	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408806064	AMHRFVFKIVIRQQ-VXLYETTFSA-N	522.786	6.107	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408810805	KMJGWFFHSQGJLY-CNCDYAKUSA-N	602.312	7.972	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408815799	SFGIQDPUZUQUGP-OYKKKHCWSA-N	604.444	6.264	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)c1ccccc1	408826139	SVQCJGBQIHLBPC-ZYGWBPEKSA-N	560.075	6.108	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408826176	CHRACSUOKIBZQO-ZSNJKBEMSA-N	625.669	6.337	50	40	KKGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	408826612	FJLFYLHBSXCWDS-VPHZGPCQSA-N	559.844	5.871	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1OC	408834605	WPXRMLRMMCYXBL-FDAWAROLSA-N	582.078	5.034	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCC#N)c(Br)c4)cc3)cs2)cc1	408841234	DOYBGSRSAQZMCC-WKULSOCRSA-N	546.450	6.291	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408845052	QFCFIAZULBEBGM-OEPDXVHDSA-N	698.042	9.474	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408860246	ZFQXMPXAPTUMKB-RGVLZGJSSA-N	556.375	6.180	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408861051	LTUZJHKAKMZIRL-KCSSXMTESA-N	595.121	5.419	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)c2cc(C)cc(C)c2)cc1OC	408869985	UJBVIBRMBBSTLX-UQRQXUALSA-N	551.709	5.376	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	408871835	XWDXCMMESCNHLW-UXHLAJHPSA-N	533.572	5.230	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)ccc1OCc1ccccc1	408874295	AYFYSCZCYKXTEK-AUGOTPMTSA-N	561.726	6.883	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408882821	SIWPPJACQOMJMC-OCSSWDANSA-N	502.954	5.884	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2)cc1	408882893	SOGWGULHEWIVJJ-QGOAFFKASA-N	570.237	6.294	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2OC)cc1	408883234	SBLUAXPQAXDUBK-KKMKTNMSSA-N	599.208	5.598	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl	408883491	TTZVFFYDBTVDOH-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408885535	BOVLYTRDXUHMQI-MZJWZYIUSA-N	531.790	5.493	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)c1ccc2ccccc2c1	408889778	JBVVIROEFZJFEK-JFLMPSFJSA-N	588.277	5.896	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OS(=O)(=O)c1ccc(C)cc1	408890992	JPOXAZFWKHUCJK-SFQUDFHCSA-N	517.390	5.624	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1OC(=O)c1cccc2ccccc12	408898084	KMHFZJFBXDXHSM-KBVAKVRCSA-N	561.432	6.301	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408898464	WCFLCUHFEMNUEP-XDHOZWIPSA-N	647.447	5.528	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OCC)c1	408906041	GUYIFDMQZBNFLY-CIMVZPIYSA-N	694.364	5.839	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(F)cc1	408944756	JRMQXZPMLSOAEA-MUUNZHRXSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)c(OC)c1	408951454	IVZPVZUKPIKKJA-OLDUKCEXSA-N	715.985	5.419	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408956556	RFPVIHVQBSGOFN-IRWRTZFPSA-N	775.407	5.428	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccc(Cl)cc2)c(OC)c1	408958568	ZAOLIFJQPDDSNO-VOSMKULASA-N	720.404	6.064	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCC(=O)O	408973058	RQMBZOZGQPCHCR-BMBMXTNTSA-N	728.367	5.105	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1cccc(C(F)(F)F)c1	408999614	LWHIASANAFYNOR-LSCVHKIXSA-N	675.182	7.256	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)c1	409003174	RKFREIYNZDFKRD-VTNSRFBWSA-N	546.410	6.537	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1ccncc1	409040295	HQGZWMJNCUFNCD-QLBXLEAKSA-N	548.602	5.201	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409067887	QMSUDGVMKPDZBV-MHWRWJLKSA-N	596.786	5.693	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2cccc(Cl)c2)cc1	409134266	OMFBQIRBPRHONR-LGJNPRDNSA-N	526.829	5.001	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	409143585	HKQWGORJVHSMAI-JFLMPSFJSA-N	548.890	5.006	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)c3ccc(F)cc3)C(C)C)o2)c(Br)c1	409154273	GKKRFJYHPYHXLZ-QCQFVGOUSA-N	500.368	5.061	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	409183131	AIWPOISJZKBWQW-QNKGDIEWSA-N	571.699	5.627	50	40	KKGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c1	409187998	WFMVDRUDVMHHOR-ZMFRSBBQSA-N	531.248	6.563	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1	409217549	DEJMZVZGPDKCIL-DLCNMLRHSA-N	590.514	6.157	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1ccccc1	409245965	BRDJGOVVANJAGR-HSGPEQJXSA-N	652.245	6.398	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409333271	OASYOBVOHFHNSV-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)SCCS1	409365197	QFKWZXQVRGKVPU-FOKLQQMPSA-N	683.331	5.419	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)cc(I)c3OCc3ccccc3C#N)[nH]c2c1	409374465	QIFKGDKXUOKEOW-OCKHKDLRSA-N	642.238	6.595	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccccc1Cl	409385555	LHCRIDAOJLWZBC-XODNFHPESA-N	635.867	6.809	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	409388760	WCCCHOJVYHHNTM-XJECJHNESA-N	691.007	7.760	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCc1ccc(C(=O)O)cc1	409393734	ZQCNBQVQRWQNPH-GRSHGNNSSA-N	595.393	5.916	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(OC(C)=O)c(OC)c3)c(-c3ccccc3)c2c1	409394505	BFZRSVCEJWQCMK-UHFFFAOYSA-N	656.489	6.523	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409394516	BKQZAUFHJPXQOC-UHFFFAOYSA-N	726.219	8.114	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)c(-c3ccccc3Cl)c2c1	409394630	CYZSBPODEWUVBR-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)cccc4c3-c3ccccc3)cc2OCC)cc1OCC	409396490	SUHKCPBTMXXFIM-UHFFFAOYSA-N	621.690	7.023	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409397550	LDDDQKSVHQULAT-UHFFFAOYSA-N	579.937	7.629	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC(C)=O)c(OC)c4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397860	OTWFMVNAMHMKCH-UHFFFAOYSA-N	656.091	6.813	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccc(Cl)cc3)o2)cc1	409400459	DGGPMAVSJZATQX-AEUUOICLSA-N	642.068	6.609	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3ccc4c(c3)OCO4)o2)cc1	409402781	KYWDUKCHFKUUTP-HTVDVWKISA-N	676.951	7.754	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(Br)cc1	409402812	LCXMZKDTQMGUMS-VHFSBPNMSA-N	707.419	8.143	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1cccc(C(F)(F)F)c1	409408157	IYHMSHPQQDKORZ-UHFFFAOYSA-N	558.472	6.092	50	40	KKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1C	409409336	NOWGWVWOGRAZMR-HQDYHJHZSA-N	555.078	7.399	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12	1529548146	ARSDVWRWUPRYLS-FBZJHIGRSA-N	643.165	5.957	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	1529548855	ONSKVPDGNGWBHR-SWVFMJNVSA-N	687.775	5.186	50	40	KKGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-]	1452511	YBINXCAXBCRBGW-OGTCDWKQSA-N	507.550	5.631	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1	1790764	ROCFEKBJOUIQPN-CKVBZJJFSA-N	556.844	6.307	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Br)c3)nnc2-c2ccc(Cl)cc2)cc1	1884927	LPMCVOLLMCKBDL-RWPZCVJISA-N	570.900	5.991	50	40	KKGB	
N#CC1=C(N)Oc2c3c(c4ccccc4c2[C@H]1c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O3	2118001	BMNPOXMWCQDTMP-ZEQRLZLVSA-N	537.406	6.583	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cccc(OCc2ccccc2)c1	2318613	PEAJTJYRFAEVSW-MZJWZYIUSA-N	541.123	6.305	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)c(OCC)c3)nnc2-c2ccc(Cl)cc2)cc1	2613186	WFTIKJZODOCGHW-MUFRIFMGSA-N	552.056	5.333	50	40	KKGB	
CC[C@H](C)c1ccc(OCCOc2c(Br)cc(/C=N/NC(=O)Nc3ccccc3)cc2OC)cc1	4207638	AWZITAYTSXXVFM-VFKGCLKRSA-N	540.458	6.585	50	40	KKGB	
O=C(O)c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	6445783	XAXWAUYMIPGHTD-MEFBHEEYSA-N	559.869	7.094	50	40	KKGB	
Cc1cc(C)cc(C(=O)N(NC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)P(=O)(Oc2ccccc2)Oc2ccccc2)C(C)(C)C)c1	8453180	WOPIKGAJJWFHJE-SSEXGKCCSA-N	630.638	7.716	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)c(OC)c1	9730632	UZUPYZJLELYGPE-JFLMPSFJSA-N	514.051	5.363	50	40	KKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C(\C)c2ccc(-n3ccnc3)cc2)c(C(C)(C)CC)c1	12562137	BJLKLFDFCUPHIN-GZZLJNBRSA-N	502.703	6.947	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc(Cl)cc1Cl	13564581	MYXPHZDGMUXDBI-QRQIAZFYSA-N	510.450	6.182	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1c(F)cccc1Cl	16712480	WUBRVYACGYFZAS-KKMKTNMSSA-N	501.374	5.018	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1C#N	59336248	RWGDLUVNAWXWGY-NVMNQCDNSA-N	512.780	6.652	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2OCCSc2ccc(Cl)cc2)s1	97965003	VXEBWLQEUFEISV-STBIYBPSSA-N	566.108	5.616	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126479	UNFJUIAYQIDETH-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1	100129756	SLLWAJURIQKCRL-GTWSWNCMSA-N	593.547	5.240	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1	100178523	MJZOTXCYIINYGW-RRCLOXMRSA-N	576.052	5.244	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1	100328697	DVWYNQCSOHQXFO-KKMKTNMSSA-N	537.838	6.072	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1	100989483	YPGNSALMTXCFIU-JSIHEXFSSA-N	573.299	6.821	50	40	KKGB	
CCCCCCOc1ccc(/C=N\NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC	101087984	BTPAVIHMFIGJOB-LJUMEUDFSA-N	532.666	5.551	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccc(Cl)cc1Cl)N2	102683062	JVOXJBSAUYYKES-AAKLWPEZSA-N	549.863	7.638	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1	102808869	CDZGHDQTGJXSSW-MUUNZHRXSA-N	543.092	6.609	50	40	KKGB	
O=C(NN[C@H]1CC(=O)N(c2cc(Cl)c(Cl)cc2Cl)C1=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	102921440	ZLPFASVHEMIUTN-QFIPXVFZSA-N	557.796	5.568	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)CSc3nnnn3-c3ccccc3)cc2Br)cc1	103781998	IXXHNMZWYWTMLB-UVHMKAGCSA-N	616.339	5.317	50	40	KKGB	
C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	104699139	VMJOMKRICQXZQV-DNDVPWARSA-N	546.534	7.049	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	107679342	RNTQOGXJOBLKKS-MUFRIFMGSA-N	507.815	6.528	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	150385735	CPPRPMMHUQPBIZ-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
COc1ccc(C2=CS/C(=C(/C#N)C(=O)COC(=O)c3cccc(N4CC(=O)C(c5nc(-c6ccc(OC)c(OC)c6)cs5)=C4N)c3)N2)cc1OC	150446354	KBRWZYQVARJHRM-BGDIREAQSA-N	737.816	5.357	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795451	GUDGRLFCQFVPHN-IAGOWNOFSA-N	1028.320	14.652	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccc(Br)cc1)N2	245231864	KYBQEDLMFBSDRF-NCIBMYPZSA-N	594.940	6.043	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408536780	BBNWSVAYIBCZMP-KEIPNQJHSA-N	591.177	8.719	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408538752	QETLSCCWIFJWOM-YUMHPJSZSA-N	583.084	7.759	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408541813	DZLPJQLROZWLKG-RGVLZGJSSA-N	547.409	6.892	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(C(=O)O)cc1	408552860	LDLMPJZIFVXGHI-VXLYETTFSA-N	639.471	5.935	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccc(Cl)c(Cl)c1	408554605	SBKOJAGZMSYXNJ-QNVXDBMFSA-N	650.975	8.295	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	408582976	QEWGEATUOHCERJ-LZYBPNLTSA-N	579.325	7.258	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408602246	COLRTKDLTVTYFJ-MRXNPFEDSA-N	518.372	5.216	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1	408607470	DDIFMYMFQNKSBT-RPPGKUMJSA-N	521.198	5.424	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408638680	DDENTWOWGKCOJZ-CZTZKLFOSA-N	568.284	6.226	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408643877	QFAXJSQIWMOTBC-DWLFOUALSA-N	533.839	5.572	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408659653	WFHCZFXHPAAHQU-MCBCHBBLSA-N	551.829	5.401	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	408668710	DXTHCZXWOCDIGZ-UQOPEDAQSA-N	574.313	5.346	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408677749	UOAKFMJSUIQNDI-MUFRIFMGSA-N	552.425	5.099	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408689420	YZJHPOXSZBRXCL-IXFQNSDBSA-N	566.677	5.183	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1ccc(Br)cc1	408710910	WAHWBCIRLUGDDN-XODNFHPESA-N	596.703	6.615	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)c1	408743583	BFXFTDJFINRIDS-ZDLGFXPLSA-N	529.793	6.765	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408746278	RJWVJBHTVVNJFX-XKZIYDEJSA-N	547.836	7.389	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408749635	IEOPEOJUGKMVOI-FDAWAROLSA-N	590.430	5.331	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(I)cc1	408764634	VAWRJGVTPKSBSC-RPPGKUMJSA-N	568.198	5.379	50	40	KKGB	
CCOc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3I)cc2)cc1	408765737	XLWRLYPWHLUURJ-CYVLTUHYSA-N	567.383	5.253	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccccc1Cl	408774815	NHDRRQQWOVMLHE-MTJSOVHGSA-N	539.857	7.243	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)cc1	408774823	QTSNPPOUPONJCS-RUMWWMSVSA-N	537.641	5.737	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792796	CPDLIVAZDQSTJK-XDHOZWIPSA-N	507.340	5.037	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	408793683	FXBSPPBVKKZCII-RQZCQDPDSA-N	590.655	6.688	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1C	408794093	HVSCLUOTBPZUGQ-CIAFOILYSA-N	505.368	5.889	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(I)cc2)c1C	408796468	PDGCJBFNLULPFJ-UDWIEESQSA-N	587.255	6.795	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408797779	TYGAYUWREJAPJB-RGVLZGJSSA-N	584.264	6.597	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(I)cc1	408798068	UDYXVXFCHHGASP-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(Br)cc1	408815752	UKSMDHIMGCZFNB-LICLKQGHSA-N	607.217	6.326	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408824532	IBWQOXDQNNNXOW-JJIBRWJFSA-N	529.423	7.697	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc2ccccc12	408838282	ULHCIMGGWVFIHA-UZWMFBFFSA-N	537.641	5.488	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408839648	VDOJQVDRYZCVHU-ODQASSKESA-N	679.006	9.312	50	40	KKGB	
COc1c(Cl)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl	408840083	AWXMSPDWWWHYIT-JQAMDZJQSA-N	503.333	5.914	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408841043	FHXKEOYTJFRSCN-WHQPAHRZSA-N	784.223	8.851	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408845283	VRGLZFZMXHDGDP-JAVXJAORSA-N	749.380	8.487	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1	408848339	VWZNMTUJLNWCJQ-VTNSRFBWSA-N	651.311	6.456	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl	408860292	XVJSGZBSLWZAKW-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408861929	BVLZZEIRWNJJRS-UHFFFAOYSA-N	530.012	6.079	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccccc1	408862611	KSALDVPAVRRMCV-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	408873389	QHDNAWXHYAXXBK-FYJGNVAPSA-N	565.389	8.054	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)c(OC)c1	408879997	ICPSZRQLWBOZIL-UFFVCSGVSA-N	694.307	6.024	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OC	408883179	TZYKMYSZZBWAJH-NYYWCZLTSA-N	562.147	5.459	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1	408894009	IBEHHKORTBRIMY-WSDLNYQXSA-N	504.970	5.877	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1cccc([N+](=O)[O-])c1	408955910	VDWDRMZIDIYYTP-UCQKPKSFSA-N	510.550	5.320	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2cccc(Cl)c2)c(OC)c1	408957293	TZPWYWKYZYRMOR-VOSMKULASA-N	858.855	5.857	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1cccc(F)c1	408963810	AXCPGRVYIFQBLP-VFLNYLIXSA-N	561.326	5.183	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/C=C/c1ccccc1	408972406	SYNJJRWOLRKNIN-CUQHKNBCSA-N	510.421	5.304	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)c(I)c1	408982105	FTLZSFZNMPGDFD-WQRHYEAKSA-N	546.767	6.517	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4ccc(C)cc4)cc3[N+](=O)[O-])sc2c1	408990995	MFZBJTKHDYGVLQ-LDADJPATSA-N	516.604	6.609	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1OC(=O)/C=C/c1ccccc1	408999287	UNDBXJUJWSVGKT-WEIOAWTCSA-N	547.611	6.029	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCC(=O)Nc1ccccc1C	409011849	OHMWIUBSKMYULH-BIZUNTBRSA-N	524.621	5.583	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(I)cc1)c1cc(-c2ccccc2)nc2ccccc12	409038120	DQPMITBWGDFECA-OHUYPAJKSA-N	662.325	7.612	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1	409040327	GILNKQFBTHECEB-CXUHLZMHSA-N	543.646	7.384	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409051583	AXUWBHRXGRPJAP-KCSSXMTESA-N	582.509	5.914	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Br)cc1	409057873	LPNYGXJIYPDCQE-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409064008	BAKDMGVHFMXOBW-XMHGGMMESA-N	506.967	6.050	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1)S(C)(=O)=O	409114398	HDZNSYSGDRLQPS-HNSNBQBZSA-N	605.116	5.396	50	40	KKGB	
Cc1cccc(CN(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccc(Cl)cc2)c1	409117460	RGDRSYRWUOEDTA-ZCTHSVRISA-N	548.064	5.782	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409117892	RNWODKSDUWUBFC-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1Br	409120434	ZLPVDAAYVYRXLG-MTDXEUNCSA-N	578.916	5.464	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1cccc(Cl)c1	409130236	MFEHKQGIENMTQD-JOCHJYFZSA-N	513.775	5.614	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1F	409138289	ZPQSIDKLAVYZEU-QFIPXVFZSA-N	513.363	5.381	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1	409152532	FQSJZSFBXGSFEZ-KBVAKVRCSA-N	551.043	5.242	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccccc2)cc1	409214524	VPZGCFDOHYQQJY-OCSSWDANSA-N	504.055	6.569	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(Cl)cc5)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1	409222485	DFMLKUXZIJHRDV-AUJFUKTPSA-N	605.050	5.452	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409223786	HSLDJHYKIGTBNG-UHFFFAOYSA-N	700.727	7.009	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccccc1F	409251847	QMXPDRKFPKGWOV-HAHDFKILSA-N	584.429	6.064	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl	409273289	WXIFSXTYUBJRIS-UHFFFAOYSA-N	615.476	8.114	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1OCC	409314084	QIICISOSWWEWGU-QRQIAZFYSA-N	575.481	5.477	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1OCC	409318531	WGVDGGYWZJBTFB-QRQIAZFYSA-N	511.416	5.980	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409319555	IFMRIWOZISMJCC-UHBFCERESA-N	622.887	6.484	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1ccccc1Cl	409372673	GFOIJKRZRDDNGU-WCMJOSRZSA-N	614.867	6.848	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)cc(I)c1OCc1ccccc1C#N	409373628	RNCKZFKSNHCASY-IBBHUPRXSA-N	687.275	6.272	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1	409373985	WRHLEHCASFYYLK-WKULSOCRSA-N	568.265	6.716	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2OC)cc1	409382355	KLIXCSAEVLLXAE-UDWIEESQSA-N	519.985	5.537	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br	409385289	JALVCXCZXSKKKR-KVSWJAHQSA-N	614.275	6.549	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1	409385345	JOXQLFATOIOFKT-AUEPDCJTSA-N	536.816	6.734	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1Cl	409389800	ANIITMSVYPTEDL-ROPCREHHSA-N	648.328	7.291	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395007	ISKPVTADGNHOGN-UHFFFAOYSA-N	725.777	7.734	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409395440	NOJYQKLLJZWNOF-UHFFFAOYSA-N	705.359	7.470	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409395893	SXKDZAZLZMIOBU-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397870	OXVHCDOJGOLXMM-UHFFFAOYSA-N	631.903	8.049	50	40	KKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1C	409406300	BKMWNZYIGCCXEB-HQDYHJHZSA-N	555.078	7.399	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1	2807582	ICVGOSVZUNSXED-OQLLNIDSSA-N	518.334	5.215	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1Br	3036944	NRRJTRKMHWVICE-FDAWAROLSA-N	559.416	5.873	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667561	UQDJSIPAMMZHCA-HSZRJFAPSA-N	546.649	5.653	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1[N+](=O)[O-])N2	6073852	IHFQDNXQXWDGJI-UXXDJHJKSA-N	539.013	6.500	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	6445767	ZAWQUPRDFTZIQP-JCTDHXFVSA-N	561.041	5.189	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccccc1F)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	8426412	XQHJBDJTSLYBOM-HMVAFMLGSA-N	593.507	8.657	50	40	KKGB	
N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC(=O)C[C@@H]1c1cc(Br)c(O)c(Br)c1	8429978	WGIKMIWNCPWUFK-LJQANCHMSA-N	613.331	6.354	50	40	KKGB	
C/C(CCc1ccco1)=N\NC(=O)CNc1c(Br)cc(Br)cc1Br	17434081	VQGKYIFYJKCEHU-UFFVCSGVSA-N	522.035	5.104	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1	20060070	OLEADTBOZHJIJO-RDRPBHBLSA-N	527.090	5.149	50	40	KKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C	34898094	MTJXKKXARRXQKI-GXBUFBABSA-N	521.064	7.586	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)N/N=C/c1ccc2nccnc2c1	97962741	KQCQGNVSCYJJIV-ODNPBWNPSA-N	588.465	6.804	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	100042352	STIJPVJQQJOMCM-WKIKZPBSSA-N	576.787	5.158	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100117799	FOVSUGLCCWRGPC-WCMJOSRZSA-N	535.431	6.069	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(Br)cc1	100135325	PHSKIHUHWFILGY-WOJGMQOQSA-N	579.800	7.645	50	40	KKGB	
C=CCn1c(SCC(=O)N/N=C\c2ccccc2OCc2cccc(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1	100481237	WRLMVLRQMQPKFZ-MWLSYYOVSA-N	607.490	5.623	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)c1	100820289	PBXUZQLZGBJTIX-ZEVJAHDQSA-N	608.063	5.954	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1	100828090	JEIQRXOVKBANRQ-GFPZRUSRSA-N	524.429	6.067	50	40	KKGB	
CC(C)(C)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	100853828	JJFHQPJCASBOTH-UHBFCERESA-N	538.504	6.781	50	40	KKGB	
CCCSc1nc(-c2ccc(C)cc2)[nH]c(=O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	101022435	JFBIHTJDTKGGSV-UHFFFAOYSA-O	521.646	5.867	50	40	KKGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1	101394950	YDUTURJQWMRREN-XMMPIXPASA-N	547.430	6.663	50	40	KKGB	
N#C/C(C(=O)Nc1cccc(Cl)c1)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	102077040	CFXTYOHRRFSZPO-QAKHZNQRSA-N	528.848	6.712	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	102808735	JYLJIJHPMGIIFR-XMMPIXPASA-N	554.619	6.473	50	40	KKGB	
O=C(c1ccccc1)[C@H](/N=N/c1ccc(Br)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102930010	DVAFBGPEUPQUNL-KUKFBLQTSA-N	564.443	7.736	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	103883102	IYBNDBFQEGAKJC-STZFKDTASA-N	526.851	6.482	50	40	KKGB	
CC(C)C(/C=C\c1ccc(Cl)c(Cl)c1)=N/NC(=O)N/N=C(\C=C/c1ccc(Cl)c(Cl)c1)C(C)C	104304546	HPEDTLWUJMVBLM-BKMXDKLXSA-N	540.322	8.350	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1c(F)cccc1Cl	104899360	PTDYYIYVYSQRQX-KVSWJAHQSA-N	548.796	5.226	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)Cc2ccccc2)cc1	150376827	QVJKXYAZYRMUPQ-CAQPMQTCSA-N	636.572	5.156	50	40	KKGB	
O=C(N/N=C/[C@H]1C[C@H]2C[C@H]1[C@@](F)(C(F)(F)F)C2(F)F)c1ccc(Oc2ccc(C(=O)N/N=C/[C@@H]3C[C@H]4C[C@@H]3[C@@](F)(C(F)(F)F)C4(F)F)cc2)cc1	150391502	UPUXRHBPMMZVJF-QLEUTCOFSA-N	742.561	8.034	50	40	KKGB	
CC/C(=C(\CC)c1ccc(O[P@@](=O)(Cl)N(CCCl)CCCl)cc1)c1ccc(O[P@](=O)(Cl)N(CCCl)CCCl)cc1	150402399	ANUQECSMIFBKSJ-JAYSOMDRSA-N	713.234	10.428	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2CCC(=NNC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)CC2)cc1	164266123	BVEJRTQPJVRNRG-UHFFFAOYSA-N	644.816	7.315	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795327	HSLOFXFGTDTISS-DTORHVGOSA-N	816.087	10.261	50	40	KKGB	
O[C@@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1SSc1ccc(Cl)cc1N[C@@H]1CCCC[C@H]1O	254737983	BSRKUWPLOROVET-GMQQQROESA-N	513.556	7.224	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1Br	408540906	WWMIKKPINSFISK-XYGWBWBKSA-N	510.270	6.715	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408544386	VVEJIKGUFIPDMP-SOFYXZRVSA-N	625.100	7.341	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552906	SEYGFAJYIGQGDR-RQZCQDPDSA-N	638.245	6.987	50	40	KKGB	
N#C/C(=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408553710	PFNBBOYLCCQBQI-DHDCSXOGSA-N	535.214	6.863	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)c1ccc(Cl)cc1	408579893	LEOULZFKSVVESB-RQZCQDPDSA-N	521.611	7.647	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N2C(=N1)SC(C#N)=C2N	408605587	MIVXQFNNXYDHBG-FQEVSTJZSA-N	513.963	5.236	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408642760	NTZUBHQLIHJXPC-ZRJZNHTDSA-N	665.593	6.197	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408689824	ZFDSGYXHIKYPKS-FZDBZEDMSA-N	634.108	5.381	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)ccc1I	408746902	HLJVEKNJUSMFBK-LUOAPIJWSA-N	756.091	5.991	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408788494	DJJLLENKYMWGLD-PCLIKHOPSA-N	628.479	7.460	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1cccc(F)c1	408788847	MLWBELFOVAYLIR-WOJGMQOQSA-N	574.244	6.874	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408791335	WDVJKUMOVKKFID-DJKKODMXSA-N	515.824	7.397	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1cccc(C)c1	408792726	CEDRPMMJQDWIDU-RGVLZGJSSA-N	572.830	6.776	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1	408807633	DJXQZBALSOZFHA-XDHOZWIPSA-N	511.803	6.626	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1cccc(C)c1	408815227	GZJFRMXLNLZFMN-ODLFYWEKSA-N	542.348	5.872	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408816935	MMFFADPSNMVFCZ-YVLHZVERSA-N	526.318	5.630	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc(F)cc1	408832267	RTYJIKKYJNEKCW-BUVRLJJBSA-N	682.917	8.186	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1OCC	408837971	PYZCUNNOAIJYEJ-RDRPBHBLSA-N	544.073	5.182	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Br)cc1	408842831	BZOKFDKMXVGFOE-UVHMKAGCSA-N	626.143	7.107	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408846847	RNSISTMJJOIIPZ-UZWMFBFFSA-N	566.570	5.158	50	40	KKGB	
O=C(NNC(=O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1)c1ccc(Cl)cc1	408848011	WNPSJLRNCRUTCF-UHFFFAOYSA-N	563.260	6.298	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc(Cl)cc5)c(Br)c4)cc3)cs2)cc1	408848223	UVAWAHIILAOWKK-QNVXDBMFSA-N	710.879	9.383	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1)S(=O)(=O)c1ccccc1	408861082	MJAUVQQLYQTCOR-FNTLCPBMSA-N	673.235	6.636	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408864160	SSAKGHZBCSPKNF-JEPNHJGPSA-N	636.170	6.289	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1OCc1ccc(Cl)cc1Cl	408872870	KJZBOCUSYYHZIU-KIBLKLHPSA-N	559.187	5.851	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCc1c(Cl)cccc1Cl	408878810	BMAOFMRSZGFVJR-LFIBNONCSA-N	532.221	6.889	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408900999	ZDFRICHPFGZQOQ-LICLKQGHSA-N	642.393	5.940	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1	408904084	DMHIRLFPYYUFQO-WKIKZPBSSA-N	545.821	5.593	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408921661	BWMPMLWHVPJTGJ-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2Br)c1	408925926	UYJLCZNILKDDRW-MWBNBJEGSA-N	658.475	8.483	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C	408926917	ZBVJEHSSCHFODE-GIJQJNRQSA-N	512.349	6.343	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)ccc21	408970135	BHCYRAVLWFUDPK-LGNWWHAVSA-N	567.517	6.570	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(I)cc1	408982507	HLLWARGETMMYAO-GRSHGNNSSA-N	651.726	7.539	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1Cl	408984413	QSJBFHZOGNAXLR-IWIPYMOSSA-N	574.906	7.943	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1cccc2ccccc12	408991346	QFUDETJDHXCCQQ-NAMNZIITSA-N	577.641	5.138	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993496	DNAZDUDDNQSWMZ-ZDLGFXPLSA-N	639.171	8.269	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCc1ccc(Br)cc1	408995385	CCLNZKQWKNGBBH-FOKLQQMPSA-N	508.166	5.156	50	40	KKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)c1	409001542	WKXQIPGHNZACPV-HCNMGLPWSA-N	659.202	7.506	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccccc1Cl	409012858	IZQMRCZQDYANTK-VQBDTRDKSA-N	652.104	6.157	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br	409033424	FHEWLTVNIVEOEG-LQKURTRISA-N	533.451	6.645	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1cccc(Cl)c1	409033557	FOQUXWSHIOSETL-QNVXDBMFSA-N	637.976	8.865	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)o1	409035128	IVNQTTWCYBXEAX-YOKBTJGMSA-N	570.432	5.861	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409038174	DTUUPTKWDITZBK-FZPRHHONSA-N	754.322	7.362	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409044425	CTSWAEXWPFXXSB-MZJWZYIUSA-N	502.354	5.572	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)C(=O)Nc1ccc(O)cc1	409047024	MAZHFBVBQUJSTK-CXUHLZMHSA-N	562.645	6.695	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	409057048	OPRIWTOAPVAHKO-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1	409088675	XHTWWAJVFGBRCD-OVCLIPMQSA-N	625.195	7.785	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1	409088802	HCHUAGFJLJSALX-LFIBNONCSA-N	576.325	7.113	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409088931	HQMMNKVYTFBROB-OQLLNIDSSA-N	528.399	5.868	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(F)cc2)cc1OC	409120121	RQUWPSOSHOUSDU-VTNSRFBWSA-N	599.084	5.249	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409160408	YFZJTDOCKBQLIE-FJEPWZHXSA-N	599.869	5.082	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409184324	KJWXUYGNXMZNGS-ATZGPIRCSA-N	677.404	6.689	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)c1	409185000	JCPWFEXHCHZELF-KVAAJVFYSA-N	603.066	6.420	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409208222	AUNNFJOCBKQZGM-LUOAPIJWSA-N	603.163	7.340	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccccc1	409257137	QYHQFFYPGJBYPM-KVAAJVFYSA-N	660.981	7.751	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409259164	ZXCKCKQVHSUWEG-LPYMAVHISA-N	518.013	6.227	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C	409261118	BIWVQKOUUKWETB-WBIBEUCMSA-N	619.747	7.269	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl)Nc1ccccc1Cl	409267129	SOMPVHGAFLODNG-IRWBXMRWSA-N	685.420	8.949	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1	409268717	YBYVWUYKMHNMFU-XDHOZWIPSA-N	613.306	6.482	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OC	409302460	IVHFUSGJBMZGMF-QDTIIGTASA-N	552.252	6.506	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OC	409303569	NLXSBMHMNTXUCM-WKIKZPBSSA-N	518.353	5.652	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)ccc1OCc1ccccc1	409310347	ALPRDYFNPQMJTK-BIKKEBSBSA-N	609.122	8.213	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409319221	CDPBSDJQDDMMMR-YNFMAFFXSA-N	567.904	6.239	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)ccc1OCc1ccccc1	409320360	ANJXWSLXGQIZOU-CAQPMQTCSA-N	559.460	6.688	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1	409328061	YNSDSJFQKCNBGY-VQTJNVASSA-N	632.842	5.240	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccccc1Cl	409361299	CECBMRBJHRFPDF-LFIBNONCSA-N	528.765	5.805	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc(Br)cc1	409372166	CTMCZQXUFZEVFE-ZDLGFXPLSA-N	508.803	6.939	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409372167	TULLEVDEDBMXLQ-MFOYZWKCSA-N	526.318	5.587	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(I)cc1	409372561	ZSSXUVWZHQXEEG-NVMNQCDNSA-N	546.748	6.505	50	40	KKGB	
O=C(NNC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409384134	BIEPNGAIGFLNTF-FTJBHMTQSA-N	766.003	5.927	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409394713	DZTBLXNNAUSSFQ-UHFFFAOYSA-N	733.187	8.492	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409394905	HFLNOEBELYCHEP-UHFFFAOYSA-N	754.184	9.669	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395258	LQYGNNLBRWMQAF-UHFFFAOYSA-N	812.083	9.254	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)c1	409395968	UQNGXZYNYKGUNS-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409397146	GUVSOACGLFRYBE-UHFFFAOYSA-N	606.849	7.507	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397741	NLGAJFIKWNMVFK-UHFFFAOYSA-N	543.963	6.082	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c3)o2)cc1	409400273	CLHOHZYTLAMUKF-CNCDYAKUSA-N	653.486	6.031	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Br)cc4Br)c(Cl)c3)o2)cc1	409400834	FRTMGLTUUCLKRJ-FDUMAKPYSA-N	746.283	9.441	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Br)cc3)o2)cc1	409406149	AMVCYEMDXVCQNQ-ALQBTCKLSA-N	612.480	7.012	50	40	KKGB	
CCOc1c(Br)cc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409408159	IYKWPPSNWJRJCI-MNDYBZJGSA-N	570.871	6.845	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccco1	1257619	BAEKKTLBOWSPPZ-LJAQVGFWSA-N	550.640	6.148	50	40	KKGB	
COc1ccc([C@@H]2SCC(=O)N2c2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)cc1	3015138	QVCRFDJOGZQAPU-GLYQIKNISA-N	500.407	5.545	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccccc1I	3080193	KCPSBESSVKAFSQ-OKCVXOCRSA-N	579.394	5.234	50	40	KKGB	
O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1Cl	3090130	KOVVVYACIMVRHU-NXMZODBASA-N	508.192	5.828	50	40	KKGB	
O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1	3143494	WGWCGTZWZNATSX-MHDJOFBISA-N	597.838	6.614	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c(Br)c(Br)c1OCC#N	8443540	KIBALOQIENZMFA-JOCHJYFZSA-N	647.327	6.584	50	40	KKGB	
Cc1cccc(/C=N/NC(=O)c2cc(-c3ccncc3)nc3c2c(C)nn3-c2ccccc2C(F)(F)F)c1	15913360	ZWLICDZPMKHHLD-MHDJOFBISA-N	514.511	5.882	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c(C)c1	40486444	NKOAJVNGQOMGFY-VWLOTQADSA-N	506.071	6.394	50	40	KKGB	
COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2ccc(OC)c(OC)c2)c1	59417182	OHPMITSETRTSLH-XODNFHPESA-N	519.432	5.196	50	40	KKGB	
CC(C)Cc1cccc(C(C)C)c1NC(=O)CCC(=O)N/N=C1C(=N\NC(=O)CCC(=O)Nc2c(C(C)C)cccc2C(C)C)\[C@@H](c2ccc3c(c2)OCO3)Oc2ccccc2\1	95550398	GOYJSRGDJJYCTP-VENBKCKTSA-N	843.038	9.248	50	40	KKGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	97966065	KWELZZXBMJRHOZ-YOIUXKKVSA-N	532.256	5.734	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c(C)n1-c1ccc(Br)cc1	97979232	BIDDOGYDOIZAKU-XDHOZWIPSA-N	529.337	5.791	50	40	KKGB	
CCCCOc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)c1	98000346	NAXBASDHLFQGKG-HKBQPEDESA-N	582.726	6.581	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C(C)N1	98048713	QJHBIYRFGXDCGX-LJAQVGFWSA-N	574.102	6.550	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc(OC)c1OC	100847618	HKFGGHOGQYPOAD-RWPZCVJISA-N	544.077	5.372	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\C(Cl)=C\c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100853189	NFVRYZAUBLQTEO-SLTHAPGXSA-N	544.124	7.014	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1OC	100879103	KUCGOCUWAFKBBD-KGENOOAVSA-N	554.510	7.010	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Br)ccc3N[C@H]2c2ccc(F)cc2)[C@@H]1Cl	102975223	GRCLJBJEWJBFNF-QNBQWMASSA-N	533.850	7.535	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc2Cl)cc1	103894922	NCIOPKUCIBIMHP-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4Br)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709412	LUEIOLWESDQJPS-MGCYRKIBSA-N	606.586	7.066	50	40	KKGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccc(I)cc3)ccc21	104731716	UPJZDELKHQCQDQ-LQKURTRISA-N	538.389	5.554	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341894	QMOYVJKFWOJFEA-HXUWFJFHSA-N	676.477	11.935	50	40	KKGB	
S=C(Nc1nnc(S[C@@H]2C[C@@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)s1)Nc1ccc(Cl)cc1Cl	169810957	KBDJPLYFZFRYTB-XEKGUZQTSA-N	601.448	6.782	50	40	KKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc21	208200133	BCGRIROGDFIEAD-ZFILKEQLSA-N	509.242	5.403	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408527578	OYHFAOCFYHBCEA-WKULSOCRSA-N	568.265	6.473	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)cc1	408529389	JLBPSDLKNBCHDA-KLPHOBTLSA-N	570.793	6.271	50	40	KKGB	
COc1cc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2)ccc1OCc1ccccc1	408539656	XWNIAMBOLIEFRC-KEGTUQKMSA-N	675.210	9.138	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)Cc3ccccc3)cc2OC)ccc1OCc1ccccc1	408540306	PVHUAGDWESPEKX-GXBUFBABSA-N	603.513	6.707	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)c3ccc(Br)cc3)cc2Cl)ccc1OCc1ccccc1	408540376	QYHOIBJJUVBNAV-AFUMVMLFSA-N	609.347	9.377	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408567866	GNMUFMGWHUMGQO-LQKURTRISA-N	553.662	5.580	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408658091	UVFDDKFUCWRLLR-LVCYWYKZSA-N	554.257	5.836	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccccc1F	408675829	BNORQZXNFGHONJ-OCSSWDANSA-N	540.433	5.930	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408724734	BGKJKUDVEWJZAP-RPPGKUMJSA-N	675.648	5.729	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408735867	YOZPCRIENVHRCP-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2-c2ccccc2)cc1	408739772	FPDSFQQZKCHBFY-QLQYKETESA-N	582.487	8.059	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408743959	CTNVLZSOLXMHSX-MFOYZWKCSA-N	637.655	6.530	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408743980	IWXFYCCOPGVHQR-UNOMPAQXSA-N	525.374	6.120	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747846	UPMQGTGLZZUKKZ-MTJSOVHGSA-N	641.157	8.252	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408764636	SDUXLMKBPQOZQE-MTJSOVHGSA-N	586.313	8.008	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Br)cc1Br	408778214	RBNIBWSDPHRIOH-WQRHYEAKSA-N	542.227	6.345	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793764	GLNITTIIZFJJHU-ZVHZXABRSA-N	709.334	7.456	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1	408799393	ZCNVRLDVDONAAL-VXLYETTFSA-N	604.284	7.066	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1c(C)ccc2ccccc12	408814532	PPHHCZPRXVRAKT-ZVHZXABRSA-N	555.472	7.661	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408826711	CMIPIWGOEHLPJF-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OCC	408827184	MHMNGFVRXWTZNO-HZHRSRAPSA-N	594.449	6.688	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)ccc4OC(=O)c4sc5cc(C)ccc5c4Cl)cc3)sc2c1	408838437	FIZFISKINAHIBT-AIMOZCANSA-N	751.511	10.038	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408843723	MVGWJHLWFZSUDL-MHDJOFBISA-N	618.502	8.112	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1ccc(C)cc1	408844651	PAAFWTZXHBGDEQ-QNKGDIEWSA-N	535.600	5.558	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408848605	RFQYSVMTRVVBEI-KKMKTNMSSA-N	506.227	6.716	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	408850461	ALARMKJRCNRUEO-FZKWRIDDSA-N	541.482	7.931	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2-c2ccccc2)cc1	408857128	NBRWQVLFNLIYCK-SEBMTOOBSA-N	632.514	8.261	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	408858988	VGEPTYFVUMZMPS-IDWIKUEFSA-N	543.070	7.873	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1	408861919	FEDJRQQVQHFOJU-MWAVMZGNSA-N	542.101	5.712	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	408863005	KCQSKXFCBYWRNF-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)c(OC)c1	408867892	KKDZNAUOPADFSP-WYMPLXKRSA-N	730.340	6.869	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccccc1	408869720	SXSDPYUXIWCBOF-VFLNYLIXSA-N	573.458	5.785	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1ccc(Cl)cc1Cl	408874604	CKYQXTBZPFPDMG-AESPVEIFSA-N	601.312	6.852	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc2ccccc12	408891213	MYXIPASOBGCYEP-IPPBACCNSA-N	572.684	7.361	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OC(=O)c1ccccc1	408895538	LBNHMAAJXGDMIL-KEIPNQJHSA-N	544.692	6.688	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408896551	OGYGYLJNMZIOKK-QGOAFFKASA-N	525.786	6.266	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OC(=O)c1ccccc1	408897377	RUPJAMHSOLBISG-RPPGKUMJSA-N	522.182	5.748	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1C	408898397	KXFWHBDBYKPOJM-CIAFOILYSA-N	535.394	5.979	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2Cl)cc1	408900410	VOQUXJSSVJCWAL-SFQUDFHCSA-N	531.815	5.724	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2Br)cc1	408922958	HWXFWOGOXIOEKC-HMMYKYKNSA-N	563.429	5.924	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Cl)c(Cl)c1	408923942	IIYAOGBINHLJQL-MZJWZYIUSA-N	500.407	5.216	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	408951424	TZSDTEQSWHODGJ-GDLZYMKVSA-N	797.499	6.461	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc(C#N)cc3)ccc3ccccc23)c(OC)c1	408956626	RIRAHNZTALALNX-OPQHIAOESA-N	647.688	5.019	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)cc2Br)c1	408965404	GXXABFFCYRISGD-KVSWJAHQSA-N	545.206	5.874	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	408971330	IMPXDBPDARSICD-WNSSSKPFSA-N	644.552	6.148	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408971663	LENVEFORJCCVNK-JKYDDCPPSA-N	778.325	7.751	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408979654	NUIRRLXTKGDYRI-RPRKIBSRSA-N	572.621	6.339	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(Br)cc1	408983056	JXFOWQFVSHBMLF-NVMNQCDNSA-N	590.699	7.307	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)cc1Cl	408998964	JPVYABZXHFLQDJ-FJEPWZHXSA-N	513.937	5.005	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1	409005414	ZVLIGNBPDSKTPC-FDAWAROLSA-N	572.415	5.693	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409008995	AZKQKXYSTHIOCY-KNBZMSCYSA-N	792.137	6.334	50	40	KKGB	
Cc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)c1	409012986	SDMPHEZGAMURHV-BRJLIKDPSA-N	562.205	5.971	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(O)c1	409020178	MLYVVUREKSWWBQ-FOKLQQMPSA-N	556.198	5.116	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCC	409022373	MAYCDCDRGFTORM-KSEXSDGBSA-N	512.731	5.252	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409026138	HGCZHKQJBQEKJK-QXUDOOCXSA-N	618.756	5.472	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1OCc1ccccc1	409027419	DDOJXAWHUVWQEN-QQTCJNNMSA-N	573.671	5.371	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409048250	VVVJYLAARNKIJZ-XICOUIIWSA-N	554.675	8.050	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409049885	YNEJGPSKIGTZMV-DEDYPNTBSA-N	581.410	5.562	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409082129	RDPSACQCGGIBGU-BCHBDCPOSA-N	542.644	6.761	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409090845	QRAFACXTZZNDSC-XDHOZWIPSA-N	582.491	6.987	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409130243	KXXOASZPONHLHD-SANMLTNESA-N	556.490	5.964	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1	409152230	JJYTYMUDQAAHAT-PTEHHBOZSA-N	605.013	5.275	50	40	KKGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1	409184898	OZCGQKVVUSBDNT-ZMFRSBBQSA-N	564.299	6.042	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1cccc(C)c1	409220593	BWJIHYGGFCTUQB-UVHMKAGCSA-N	543.487	5.384	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccccc2)c1	409222856	DMFARNMPBPYPLK-UHFFFAOYSA-N	606.860	6.347	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409256209	KLDNIFYXWQTYOW-IZYHBKOJSA-N	660.583	8.041	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409257614	REHWFLDNDACCJT-YDZHTSKRSA-N	532.040	6.536	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	409267126	LZCIFJQTDMPYCS-XESQOAJGSA-N	561.263	5.838	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409270564	QXJVIFTWHPELQN-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1OCC	409313899	JIRPKEORFKFOHE-MZFJOGFUSA-N	559.460	6.909	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OC)c(OCC)c2)ccc1OCc1ccccc1	409316561	ZMCXSUDRUBIMRM-NTFVMDSBSA-N	527.415	5.598	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)ccc1OC	409323609	OOTNRARJTDGZRE-NUJZUDFISA-N	590.858	5.300	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1OC	409335977	ZKOUTURJSCYEPC-DICXZTSXSA-N	537.421	5.322	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Br)cc1	409343666	IMRCGHANHPUUPP-RPPGKUMJSA-N	597.101	6.326	50	40	KKGB	
Cc1c(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409365413	QRIBMVCCNJWKRF-FJEPWZHXSA-N	508.405	5.769	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409366325	UIHCQRWTRMXSSJ-LUOAPIJWSA-N	690.663	5.599	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1cccc([N+](=O)[O-])c1	409371789	OKZBCWBKPAWZCT-NHDPSOOVSA-N	519.782	7.807	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC	409374125	YREYCXQSFYBUDP-IXORVSQSSA-N	532.378	5.403	50	40	KKGB	
CCc1ccc(/C=N\NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409374292	LOPWBFHWLFKWPN-DICXZTSXSA-N	548.890	5.006	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)cc1	409394625	CXYMWFMCKRTNSB-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)cc1OCC	409395593	PNKHLQLWDMDVLS-UHFFFAOYSA-N	735.429	8.149	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395953	UKNUNZSFHZBBOQ-UHFFFAOYSA-N	651.300	7.616	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397132	GQHLAUOUAFDICZ-UHFFFAOYSA-N	606.893	8.095	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397713	NCOPBGRCKFSRQY-UHFFFAOYSA-N	693.881	6.813	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(C)cccc2c1-c1ccccc1Cl	409397898	PGKDBXHHPAWWKD-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
COC(=O)COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409400119	BMGKZCPHNLSVNT-MNDYBZJGSA-N	535.984	5.235	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409401101	GKHQUPCJVSKQRD-FZPRHHONSA-N	594.064	6.024	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1cccc(C(=O)O)c1	409401970	IUIIISQBXRLMQT-KOKCXWAISA-N	686.559	7.468	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409403414	MQXCOKTXXAFMPM-WBIBEUCMSA-N	734.547	7.521	50	40	KKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409404945	RMMMHVWGJAQXGW-KWMKVIAQSA-N	564.480	6.970	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccco1	409406857	DIQAQISEVNNBEJ-APTWKGOFSA-N	567.598	6.241	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/C(Cl)=C/c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1	1876735	IRQIWWLYJHIFNJ-GGSSHNECSA-N	552.487	6.460	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1Cl	3025433	QTMITAVLDLVYCA-FDAWAROLSA-N	563.835	5.708	50	40	KKGB	
O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccccc1OCc1cccc(Br)c1	3168968	ZFMFUWNRAGUSEB-WKULSOCRSA-N	568.265	6.473	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccc(COc2ccccc2-c2ccccc2)cc1	3319213	BILABMBKMGAUCH-KVAAJVFYSA-N	538.497	6.899	50	40	KKGB	
O=C(Oc1ccccc1)c1ccccc1[C@H](Br)[C@H](Br)c1ccccc1C(=O)Oc1ccccc1	4266317	KKBKVGYNEMGBDI-WMPKNSHKSA-N	580.272	7.697	50	40	KKGB	biogenic
CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc(C)c(C)c3C(=O)OCC)cc2)cc1	6167401	MXILQONWJDPIEK-ZXAKHJNPSA-N	551.665	5.500	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccco1	9375128	XQBGIRHHHCSWLE-VWLOTQADSA-N	520.010	5.892	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1	19926495	DWEJTFFHCZDYLL-MTDXEUNCSA-N	518.466	5.698	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	19940128	CIUBYZXLVSUZEU-RUZDIDTESA-N	500.649	5.763	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@H]1c1ccccc1Cl	20347843	FBLMDDSDGZBFLR-JOCHJYFZSA-N	510.059	5.384	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Sc2cccc3cccnc23)cc(OC)c1OC	59488624	LUAWILJOVLQYKX-RWPZCVJISA-N	518.551	5.084	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	97950391	MBQZIJPXUUNISV-SSEXGKCCSA-N	530.653	6.546	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	97951868	IZBLWTGHOVRDMA-DEOSSOPVSA-N	522.989	5.779	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2c(O)c(OC)cc(Br)c2Br)cc1	97958780	DFVNHPGNPMSIDX-PFOBFHDASA-N	678.809	6.347	50	40	KKGB	
CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C\NNC(=O)c3ccc(COc4cccc5cccnc45)cc3)c3ccccc3C2=O)c1	97980543	OOPBFUORLPHXSL-SJIPCVTESA-N	675.767	5.307	50	40	KKGB	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(F)c(F)c3)cc2)cc1	97984602	KDVVXGWQOYOZKY-VOKWCDJLSA-N	630.579	6.167	50	40	KKGB	
Cc1cccc(CSc2nnc(N3C(N)=C(C#N)[C@]4(C(=O)Nc5ccccc54)C4=C3CC(C)(C)CC4=O)s2)c1	98007204	ABBNWBOQRDDFBQ-LJAQVGFWSA-N	554.701	5.186	50	40	KKGB	
CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1	98048481	NLAKDEDSYZSUHM-AREMUKBSSA-N	560.075	6.315	50	40	KKGB	
COc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(OC)c3)=C(C#N)[C@H]2c2ccco2)cc1	98048505	BDADKHDPTAYRQJ-SANMLTNESA-N	530.606	5.003	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c(Cl)nc2c1	100366195	WKWKWFDXLFCZRZ-SESLZZBCSA-N	531.037	5.435	50	40	KKGB	
O=C(Oc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1)c1ccc(Cl)cc1Cl	101052244	BIWHUKNORLSMJV-SMVSCOHQSA-N	588.079	5.495	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1	102932893	WFCJFLNBWXJYNF-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1	102993854	ZRAITUPOEPLUJJ-UHFFFAOYSA-N	550.898	5.062	50	40	KKGB	
C/C(=N/NC(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2)c1)c1ccc(OCc2ccc(C(=O)O)o2)cc1	103256974	SJUJOTMHVBQLLO-MIXAMLLLSA-N	529.505	5.198	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1	103885569	XDZWMCPZENBRRH-AUWJEWJLSA-N	545.602	5.281	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2cccc(Cl)c2C)cc1	103897444	BQJVCMRCQJTVOA-IPPBACCNSA-N	523.964	5.321	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	104402214	BFMKNWRVLFUXQE-KVSWJAHQSA-N	601.122	7.260	50	40	KKGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/C(Br)=C/c2ccccc2)cc1OC	111066882	WPZGRCTZODFGQB-GFNODCGMSA-N	534.410	5.013	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CCc5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1	112255463	GAJDSFQBXPIMNY-UEOZCJFVSA-N	539.635	5.281	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](OC(=O)c2ccccc2)C[C@@H]1C[C@H]3Br	123228307	LRUCATHKPYDWOQ-BXUAOLBXSA-N	571.684	9.707	50	40	KKGB	
CC(C)[C@]1(Cl)[C@H]2C[C@H]3[C@](CC[C@H]4[C@](C)(C(=O)Cl)CCC[C@@]34C)(C1(Cl)Cl)[C@](Cl)(C(=O)Cl)[C@]2(Cl)C(=O)Cl	150382876	XBKUMJWVPGNMBM-SZOFUKQQSA-N	648.109	8.288	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	162474069	WRQJJWZSBNFSBY-QXUDOOCXSA-N	666.594	6.089	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795316	JFGKJLVJKBJQJJ-HTQZYQBOSA-N	1002.090	12.412	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538113	JEMLJZJAFVAUCJ-QJOVZPHJSA-N	607.732	7.448	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408538365	LPMJYVRDZMSZOL-WJPIIEFQSA-N	712.872	9.581	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC	408539765	YTCQSQSLARFGFW-JWGURIENSA-N	513.476	7.441	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408543632	RORLUZLSXAZSCZ-ZDLGFXPLSA-N	569.311	5.022	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc2ccccc2c1	408548292	FVPCJZYCDHJARX-FMCGGJTJSA-N	519.236	8.008	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550353	CZSVWRRTSPPSBG-GIJQJNRQSA-N	636.273	5.847	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	408580741	DPWJPJDPKBSGDJ-YDZHTSKRSA-N	530.418	7.271	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc2ccccc2c1	408599661	YFCBKXRASKQRFB-VTNSRFBWSA-N	682.299	7.545	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccccc1Cl	408725625	LJCUFVBVMIAGRL-BKUYFWCQSA-N	539.857	7.188	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccccc1	408744575	YOSWSWAUYFUYSR-PDGQHHTCSA-N	514.750	6.069	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408744858	HVBQJFZKJZLIPP-YSMPRRRNSA-N	510.081	7.761	50	40	KKGB	
CCOc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2)cc1	408752652	IYZUVRGBHFKQOO-CYVLTUHYSA-N	520.383	5.411	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1	408765143	WTJMLRWGILRQTO-DHRITJCHSA-N	510.369	5.052	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1	408771578	JJQCHOIBAFANCQ-YBEGLDIGSA-N	501.848	6.913	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408787471	APMNDFOOGCTUOG-FYJGNVAPSA-N	520.969	5.415	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)c(C)c1	408787679	DNAXYQDLYHWQIK-UFFVCSGVSA-N	612.265	6.667	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCC(=O)O	408794177	IBAKDHQTAXUJJF-UDWIEESQSA-N	506.942	5.327	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408797325	RIFXTPHXPKCZJP-BUVRLJJBSA-N	712.325	7.599	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408806306	BADAOWVGYUDDOP-LDADJPATSA-N	542.249	8.578	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408810770	LDXJGUWXWMMHOS-JMIUGGIZSA-N	507.930	5.068	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)cc1	408811099	LTYAUXPMKSOVMB-ZXSNDDASSA-N	503.577	6.935	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc(I)c1OCc1ccc(Br)cc1	408815382	WMNPNFXPNGGRRK-UDWIEESQSA-N	647.307	6.894	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccccc1Cl	408819748	SUQSCTOQZAJVCW-MTJSOVHGSA-N	555.856	6.312	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408822605	CJEVLOGRUWZCFG-WGOQTCKBSA-N	631.954	8.513	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccc(C)c(C)c2)cc1	408827747	GSJUSGRHDZTCBH-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1	408830265	LNUOCHMCDOQHFQ-UHFFFAOYSA-N	501.958	5.381	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Br)c1	408830663	NKNVLVYFSBXECP-UYRXBGFRSA-N	679.807	7.939	50	40	KKGB	
C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408834432	UWHMCMYMCNHRCI-XDHOZWIPSA-N	511.792	6.783	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)o2)cc1	408842453	PECPKZLDIXGTDE-QJOMJCCJSA-N	529.593	5.664	50	40	KKGB	
N#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408844297	NFNWEVJFGRAGPR-VVEOGCPPSA-N	692.764	7.240	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(I)cc1	408845035	QCVYUEKONCASGU-IZYHBKOJSA-N	767.487	8.971	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408846006	QGAQFPJUFMYLQY-VWJSQJICSA-N	656.276	6.900	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408856661	IBKCPNBCWSXLLC-KCSSXMTESA-N	610.088	5.439	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	408862763	LWEVKEAPXFPZKI-KCSSXMTESA-N	582.509	6.303	50	40	KKGB	
O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408863106	LALMSYLLKSMDKL-ZCTHSVRISA-N	557.697	5.340	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408864506	WLOBKBXCZJUNDE-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1Cc1ccccc1Br	408869346	RDICYNFHQGIUID-LICLKQGHSA-N	544.218	6.496	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(Cl)cc2)cc1	408873696	UYGQHUZCQFBYQT-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OC(=O)c1cccc2ccccc12	408880813	KXPYPSYPLUMNFG-MUFRIFMGSA-N	511.559	5.451	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(C)(=O)=O)cc1	408881249	KLYSEQNIZBVPJZ-LGJNPRDNSA-N	508.427	5.293	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OCc1ccc(Cl)cc1Cl	408881458	LFVNHZHPXFPQOK-FYJGNVAPSA-N	503.385	7.280	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1OCc1ccc(Cl)cc1Cl	408881478	NLGGWGLQHQKPDI-LICLKQGHSA-N	579.221	6.731	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccccc1	408886106	DJIXAOIETHKVPA-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OC(=O)c1cccc(F)c1	408895555	NGMHJOXRKMMCGB-VIZOYTHASA-N	530.295	5.814	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	408924892	PIZSVHWOTQHSRE-XIEYBQDHSA-N	503.001	8.080	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)c([N+](=O)[O-])c1	408926690	XKUDCIJXZGCDKN-LDADJPATSA-N	508.328	5.491	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(N)=O	408927625	QSLVYDDRTXASGE-QDEBKDIKSA-N	598.993	5.174	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OC(C)C	408937464	GPFUKNMCSSNXIT-MZFJOGFUSA-N	560.492	7.165	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCc2cccc(Cl)c2)c(OC)c1	408947821	BJIRKMBOHWISFZ-SXWOMVPGSA-N	715.985	5.419	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1	408950343	SBVPMRMBPFTIPI-NDEPHWFRSA-N	854.461	5.089	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(OC)c1	408957616	VGXMWWTYDRGPGH-MWLSYYOVSA-N	566.395	5.805	50	40	KKGB	
CCCOc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408972550	VCXDWQVRTIKTMD-IKUTULSBSA-N	572.489	5.436	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408973323	YIKKWFQXAYNCCP-MBPMXQBASA-N	703.450	7.923	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408980650	RYDIOXYGUWXZOY-QVKATGLSSA-N	522.561	5.185	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	408993340	WFNCMVRBLATAHE-WQRHYEAKSA-N	526.774	6.444	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	409020153	ZOTFNVDWZXGNPA-NAWFDXIMSA-N	595.321	6.464	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020943	WBMFYZGQPMTMDK-SEBMTOOBSA-N	594.756	6.401	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1	409022559	BASQEWHUOVXJFY-YNFMAFFXSA-N	542.792	5.898	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409027989	WWHQQDZEDJNTJG-QXUDOOCXSA-N	618.756	5.472	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1	409050082	ZYVGPGIYMQROBX-CPNJWEJPSA-N	597.409	5.262	50	40	KKGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1	409062794	AVVLCEXWSLCVSR-STBIYBPSSA-N	506.027	5.143	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409068647	BKQOTNAKMZYMBF-LFIBNONCSA-N	579.831	5.954	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409076726	CBIVTPHASVPTJG-LFIBNONCSA-N	576.325	7.113	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Br)c1OCc1ccc(Br)cc1	409125951	BJTQUIFGWNHRPX-FQEVSTJZSA-N	560.246	5.439	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C2=C1CC(C)(C)CC2=O	409127381	JHEPYNBPGMUYIS-RUZDIDTESA-N	682.386	6.568	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2Br)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409132519	YKINZTOGAKLULT-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCCC(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1	409148401	YXJKJROWAHNJEP-NDZAJKAJSA-N	558.100	5.509	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1	409155339	QSJFHUKSZDYHHZ-HIWRWHBISA-N	621.410	5.145	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409183340	BBCWSNVPLOMZBT-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1cccc(Cl)c1	409185422	YUAIFMUXLFAFQQ-ZDLGFXPLSA-N	503.621	7.508	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1	409185516	ZRDMUOFBOWDVIT-NRRSEXCRSA-N	695.241	7.064	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	409219828	VIBUGFZNFXQIAN-UHFFFAOYSA-N	606.860	6.347	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)c1	409225504	OZKFQLXUFWEMIE-UHFFFAOYSA-N	546.377	5.586	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1	409245567	VYJVGJMXOCQFRY-VRKJEAOJSA-N	564.694	7.773	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1cccc2ccccc12	409251268	UKNVOGGBQMPPKR-ONUIUJJFSA-N	511.021	6.737	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	409252181	CIGIHTLCXLGTHW-LICLKQGHSA-N	603.698	6.737	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1	409267747	WDNSRXUMVBVWPJ-OQLLNIDSSA-N	607.661	6.567	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)ccc1OCc1ccccc1	409272633	RCSNKXKRYRYMQD-AEUUOICLSA-N	606.506	7.061	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OC	409312219	KCIGSUOTLNJONP-MBTHVWNTSA-N	611.898	5.440	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1cccc(F)c1	409386750	RTLAVEKUEQCIOR-KKMKTNMSSA-N	558.385	6.063	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409388068	TWWUZMJTCBLXDH-QDTIIGTASA-N	504.345	5.313	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409395605	PRMWJYWCNBYCQP-UHFFFAOYSA-N	710.220	8.414	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)cc1	409396074	WADDVBZVEVYSJN-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409396693	AEJMSINHKBSCQA-UHFFFAOYSA-N	670.869	8.261	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398543	UILXVDLOIOWYCF-UHFFFAOYSA-N	634.889	7.772	50	40	KKGB	
COC(=O)Cn1c(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409401582	HONJHOMNLGWOSC-KYHGBAKBSA-N	538.604	5.466	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Cl)c(Cl)c1	409403260	MJEJAROZLZVDPG-UHFFFAOYSA-N	618.517	7.924	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCC(=O)Nc4cccc(F)c4)c3)o2)cc1	409403852	OINTWQZPIQDRGL-KMUKQRDJSA-N	580.616	6.187	50	40	KKGB	
O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	885164126	KMPVVSPKLIAHPX-UHFFFAOYSA-N	874.147	9.481	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OCC)c(OCc2ccccc2)cc1Br	1529548714	MOFZLHUHQGSCOK-LVVFFRFESA-N	681.609	5.312	50	40	KKGB	
Cc1nc(SCC2=C(C(=O)OC(C)C)[C@@H](c3ccccc3Cl)C(C#N)=C(N)O2)c(C#N)c(C)c1C	1421624	UNCAOCLOEGTSBT-QFIPXVFZSA-N	509.031	5.338	50	40	KKGB	
CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	2054090	DHCQBLBAHFYIQF-YVCCNPTBSA-N	578.532	6.076	50	40	KKGB	
CNC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2	2670717	XHIAHGSOOPISGT-JLHYYAGUSA-N	510.959	5.354	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1)N2	5494537	XLQGIDCCNPDMRP-PFHNCQMRSA-N	516.044	5.281	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl	8443095	HRNYYHGWRALGMS-QHCPKHFHSA-N	521.042	5.293	50	40	KKGB	
O=C(CN1c2ccccc2Sc2ccccc21)N/N=C1\SCC(=O)N1c1ccc(Cl)cc1Cl	17173007	NHWWEXWGLFFSON-VYIQYICTSA-N	515.447	5.763	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)NC(C)=C1C(=O)OC	20348637	ZHQWGMWYPZLNFI-VWLOTQADSA-N	505.640	5.251	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	20763879	FIGCEZOQYAVZHA-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(Oc5ccc(F)cc5)c([N+](=O)[O-])c4)nc(O)c23)C1	33647798	JMYRAUDIELEYPQ-VQCBNXJZSA-N	502.527	6.425	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1c(Cl)cccc1Cl	59281886	CXVSROOBXPOPNZ-XSFVSMFZSA-N	503.385	7.280	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C=C\c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1	97939490	XJOXSUNQDIVFGP-BBGZJAKUSA-N	570.675	6.056	50	40	KKGB	
CCCCc1ccc(C(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	97949595	UGACPOSNYWWQIK-GDLZYMKVSA-N	541.742	7.350	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C\c1ccc(Cl)cc1Cl	97966323	GVHHIXIZWDGWJO-LBJVRIDNSA-N	680.420	7.891	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)cc1	98001346	HANGOACMTFCKDO-RPPGKUMJSA-N	634.296	5.844	50	40	KKGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)c1	100100109	UWSOPUREHMCBAN-DPNNOFEESA-N	555.520	6.487	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1	100194949	JFAILGJBHCBBRT-ZRGSRPPYSA-N	573.197	6.209	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	100319492	FQTJKMOPLLSVMJ-GZTJUZNOSA-N	561.841	5.733	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc2)cc1	100350518	JWGZIMSOYRXYDO-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1Br	100858723	HWLUYADTEXOBKI-MZJWZYIUSA-N	601.324	5.710	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)c1	102073893	BDXBQJJDNYPETK-NTQGCYDRSA-N	547.287	6.193	50	40	KKGB	
CC(C)OC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	102809326	FIVGSUDPCSZUGY-RRPNLBNLSA-N	576.074	6.021	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	102810129	XAQRTNSJDMUMNB-AREMUKBSSA-N	617.480	7.719	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccccc1C#N	103884697	QJBXUQIZEVQIOZ-BRPDVVIDSA-N	532.644	5.520	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550009	AOQFYSRPOOURQD-YSYOEVFLSA-N	695.028	8.694	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553413	WBCBPGRUHIPKRN-FXMZOFOKSA-N	677.120	6.151	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1C	408567543	OMIBDUNDFWPPQE-MZJWZYIUSA-N	530.260	6.100	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408581798	ZJYBHPPTZXWJSY-CXUHLZMHSA-N	553.261	6.905	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)CC2=O)cc1	408601259	APRJUOUXODNMCS-INIZCTEOSA-N	530.408	5.086	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5C[C@H](Br)[C@@H](Br)C[C@H]5C4=O)c(C)c3)CC2=O)cc1Cl	408639304	FOPACFPRMSSAOL-WIGAVFHRSA-N	652.767	5.342	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	408658998	VKAIMWMFJDYZKO-PPTJPPEBSA-N	659.158	5.020	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1cccc2ccccc12	408711845	NHUQCIIXAAFDGA-LQKURTRISA-N	536.369	5.796	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408745138	KCOCBWRHOIDQIV-SXGWCWSVSA-N	583.640	7.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)ccc1OCc1cccc2ccccc12	408754735	HRSOTUQHZINQBQ-XQNSMLJCSA-N	527.418	7.126	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc2c(c1)OCO2	408758048	GBNGENIPACBWGQ-IDUWFGFVSA-N	541.785	5.964	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408787023	PRTNQQUAEYADKZ-JWGURIENSA-N	594.409	5.034	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I	408789288	ILIFGMZIIALGGA-VGOFMYFVSA-N	555.597	5.573	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccccc1	408790529	PZUHDJRFOMBVKZ-WQRHYEAKSA-N	528.321	5.564	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408792067	HGZIXNUHNGJUSB-RGVLZGJSSA-N	568.367	5.431	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br	408792933	MOANTARGTFWRLV-WOJGMQOQSA-N	542.227	6.345	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408795279	LVYSWVYRWGXDKN-LPYMAVHISA-N	517.810	7.380	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408797548	RUSDFFXOCLSTIR-LFVJCYFKSA-N	557.419	7.292	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4ccccc4Cl)c3C)sc3c2CCCC3)cc1	408815305	JAYQFSUYRKUCCO-KYHGBAKBSA-N	560.123	7.404	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408826244	LAUYUZRCCROHQH-NLRVBDNBSA-N	579.483	8.850	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408827373	CTLYKVHIRZDODC-SYANTJLKSA-N	608.547	7.070	50	40	KKGB	
CCOc1cc(OCC)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	408839261	PPZDCDUVHYWEAN-OKCVXOCRSA-N	535.069	7.077	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408840930	GNODPCBQPCCDDD-JJKQSNDFSA-N	579.431	7.484	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408842197	NRWNBILVVWBPLH-RGXNXFOYSA-N	556.460	6.390	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccccc1	408843556	MCHPGBHKEYJRBI-XZYGTATASA-N	688.591	8.208	50	40	KKGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	408844362	NQUCDJDPZYVRHI-RWPZCVJISA-N	500.580	5.178	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408849323	ZQSKCGOLWWOPFW-ODQASSKESA-N	711.967	8.404	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)cc1	408858618	QVYQKOBGHNPMEK-GXBUFBABSA-N	529.596	6.524	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(C)(=O)=O	408862260	DVLUVHIJDKPMKY-WKULSOCRSA-N	624.941	5.005	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408862328	GUPINGSMLHQCLQ-FJEPWZHXSA-N	571.486	5.513	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2cc(Cl)ccc2OC)cc1OC	408873229	OYDXZQNVGPQSMU-HNSNBQBZSA-N	624.115	5.290	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Br)c2)cc1	408881718	OGTZHECDJIELHO-XDHOZWIPSA-N	526.228	6.645	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1	408884463	UFNYXNFXXARMCD-DEDYPNTBSA-N	579.403	5.408	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OCc1ccccc1Cl	408891635	UEZSDZSVYLOHKY-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Br)cc1	408893540	GSXLXHSRYOGKJT-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC(=O)c1ccccc1	408897483	XHARYPXSJRLACV-UVHMKAGCSA-N	536.209	6.138	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2Br)c1	408925531	UNXVPEFWPWNANY-MUFRIFMGSA-N	567.281	6.654	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1	408950704	SGZQAHRWKAFFEU-NDEPHWFRSA-N	657.576	5.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c(OC)c1	408951270	IHBODMBQANWYNI-PDQWDMBESA-N	748.400	5.658	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc(Br)cc2)cc1Br	408953659	XSGFHQJJRAFUCZ-LJAQVGFWSA-N	746.478	5.684	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O	408972936	XDHFXSQJIXODNU-HNKQZSLISA-N	609.304	5.115	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1	408979537	MQZQKGVTVBYPFF-LMLUNKDASA-N	502.574	5.149	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993178	CMSBFGCJONUXJN-IURWMYGYSA-N	637.155	8.023	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409007392	OJKNMHYCZPSKTF-UUYOSTAYSA-N	655.387	7.407	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	409036786	BLZYOBDTEBIAHX-RRCLOXMRSA-N	560.053	5.544	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OS(=O)(=O)c1ccccc1	409063591	CUBOYFUYCLHTEN-SFQUDFHCSA-N	502.470	5.027	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1	409064121	BSTWBKDRYRTIJO-RVDMUPIBSA-N	515.772	6.076	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409066025	VLZIVGYGFJWPTQ-KKMKTNMSSA-N	593.272	5.602	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1cccc2ccccc12	409068950	UWPKDIJOEHBDOV-PCLIKHOPSA-N	542.557	7.720	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(F)cc1	409070321	NYQANXRVZSBPPM-HYARGMPZSA-N	524.514	7.096	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c([N+](=O)[O-])c1	409114397	HKCKVJUPBOOTQW-APTWKGOFSA-N	596.068	7.053	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)c1	409162150	SALDHOMLPBYIIN-LQKURTRISA-N	576.900	5.009	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	409185196	UBWCCQJECODOJT-WKQNJHESSA-N	638.668	5.307	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(OCC)ccc3o2)cc1Br	409186329	ALEONLRATOZHHG-WYMPLXKRSA-N	522.193	5.685	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)cc2c1	409187550	RTPYVHYWGLUVEP-NUJZUDFISA-N	509.921	5.405	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4cccc5ccccc45)c(I)c3)cc2c1	409188158	WZNVWMROWJYDAL-ZMGVVAQMSA-N	716.313	7.537	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409202426	QMLSLFUNCUILEK-WQRHYEAKSA-N	540.345	5.977	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccco4)c(OCC)c3)c2)cc1OCC	409219310	PKMJUJRYBDHKAI-UHFFFAOYSA-N	585.613	5.711	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC	409220344	XMBUGISBGOOCKB-UHFFFAOYSA-N	632.467	5.710	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	409232111	OATIPHAXRWWUND-PBTLCFMXSA-N	544.311	6.042	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1cccc(C)c1	409234866	NMEBLGBCSYTNRK-DEYGKZMTSA-N	519.439	6.520	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)NCCCc1ccccc1	409255658	ZHIXZGLPWALVCB-JCMHNJIXSA-N	601.282	6.289	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl	409257462	PCWJXNXTFCDERG-QMRORBIVSA-N	630.557	7.950	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	409262874	KKLKKKWBFUOURG-YBEGLDIGSA-N	500.769	6.210	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1C	409268214	ZTKJVVWLOPCNOO-NVMNQCDNSA-N	617.725	7.045	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409314487	KUDFFLAMDRKVJV-KYHGBAKBSA-N	665.453	6.808	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OC	409319583	IUIHIHQBOIGNIE-UHBFCERESA-N	583.435	5.462	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)ccc1OCc1ccccc1	409320493	QAYNVBSYYLKURE-KYHGBAKBSA-N	535.427	6.924	50	40	KKGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C2C#N)cc1	409322090	KIOCYFPLFJHSSI-MRXNPFEDSA-N	509.937	5.468	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC	409328048	YJXNMFXWQGDXKT-MUXKCCDJSA-N	578.378	5.189	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	409341563	FHYMFOFIIFBSGB-LGJNPRDNSA-N	517.221	5.353	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl	409394521	BNFHJERUNOXEJW-UHFFFAOYSA-N	706.207	9.203	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)cc1	409395996	UZJDPHHLZPUFSF-UHFFFAOYSA-N	709.822	8.622	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)c1	409395997	UZVIXWPWJLDQJP-UHFFFAOYSA-N	656.334	7.523	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)o2)cc1	409400504	DMJNOZHECCLMIH-QMRORBIVSA-N	677.939	7.933	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)o2)cc1	409402077	IZUZPYMLMUSMAD-VHFSBPNMSA-N	586.648	6.762	50	40	KKGB	
COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1Cl	2309781	UDHBEMMWYHNWMS-VQTJNVASSA-N	504.395	5.252	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2589113	SHWFPFKZQTULME-PYJLEYFYSA-N	555.704	6.157	50	40	KKGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C/c3c(C)nn(-c4ccc(F)cc4)c3Cl)cc2)cc1	3252323	DEUFRIHREGYNMI-OKCVXOCRSA-N	506.965	5.715	50	40	KKGB	
CSc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)cc1	3666913	WOXSPDZLWVRLBS-DEOSSOPVSA-N	500.693	6.161	50	40	KKGB	
CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)N/N=C/c2ccncc2)c(Br)c1	9948564	JSBKHBJIXCEGJX-RPPGKUMJSA-N	525.285	5.850	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)c(C#N)c1C	33856763	ZVDMMYHCTQMTQN-SRZZPIQSSA-N	514.559	5.101	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1cccc(C(=O)O)c1	59222143	MYRCILRHQCNRBP-KKMKTNMSSA-N	523.885	5.044	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1	59474997	RSZWUPATIFKOKA-XKZIYDEJSA-N	505.412	6.589	50	40	KKGB	
COc1ccc([C@H](NCCCN2CCN(CCCN[C@@H](c3ccc(OC)cc3)P(=O)(c3ccccc3)c3ccccc3)CC2)P(=O)(c2ccccc2)c2ccccc2)cc1	95677068	GFXZFTHULBPRMZ-CDKYPKJRSA-N	840.986	8.006	50	40	KKGB	
CC1(C)O[C@@H](CP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)[C@H](CP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)O1	97950004	IWUVZYAJPOAIGF-KYJUHHDHSA-N	770.531	9.848	50	40	KKGB	
COc1cc([C@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Br)c1OCc1ccccc1	97959967	FWRZQYFLQSUICM-ZYVVXELTSA-N	571.519	6.903	50	40	KKGB	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC	100013081	BDTYMGCNULYACO-CKMSBMRTSA-N	542.889	11.683	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl	101273320	PCTBCVKOMLUDKU-XMMPIXPASA-N	528.461	6.099	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccccc1	102060077	WKIGLVAKYVOBPP-LGJNPRDNSA-N	526.412	5.420	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1	102615045	GEVAMFVSIMKVRU-SANMLTNESA-N	517.651	6.371	50	40	KKGB	
Fc1cc(I)cc(N=P(c2ccccc2)(c2ccccc2)c2ccc(Br)cc2)c1	102935640	OELMQPHMZFHLRI-UHFFFAOYSA-N	576.187	7.002	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103890465	KVVFFQKLIQPCFZ-PXNMLYILSA-N	615.138	8.586	50	40	KKGB	
O=C(S[C@H]1N[C@@H](c2ccccc2)N[C@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104220919	JFMAROFQKXISQB-XFCANUNOSA-N	545.668	6.098	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(I)c1OCc1ccc(Br)cc1	107986846	WUCQWUGGUKTNNL-FQEVSTJZSA-N	607.246	5.281	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](Br)[C@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C	123219672	MJONUVUVBROXRW-CUGBIUFQSA-N	530.473	9.245	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OCc1ccc(Br)cc1	150441304	LBLXCKSLDOWOSS-KVSWJAHQSA-N	673.143	5.966	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	164736730	DHFNNGJPYMWUGS-SDQBBNPISA-N	624.056	5.848	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)ccc1OCc1ccccc1	408550662	GCCAZKKSPDGOJX-AEVGBRMKSA-N	670.977	7.805	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1	408567019	CFBHVYBLKSQHOA-MFOYZWKCSA-N	573.793	7.002	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(N2CCCC2)cc1	408675802	BBHTXVKOCVJACD-WKULSOCRSA-N	547.280	6.699	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408726974	XHAIASOAGYSGBB-MTJSOVHGSA-N	550.409	6.498	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(Cl)c1	408740492	LAVZIBDRRXYWHW-YSURURNPSA-N	525.628	5.742	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	408754263	JSNUTXRVQQPGMZ-CPNJWEJPSA-N	644.456	5.246	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408779041	PPOAMCHZSQZOLK-NDENLUEZSA-N	509.375	6.284	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408788660	FDBLCIBNXFYCBU-VXLYETTFSA-N	570.827	6.843	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793654	FYRBYYGKSSBGPA-LFVJCYFKSA-N	620.874	7.648	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(I)cc1	408798255	VPGGLIRFMFBGGG-VCHYOVAHSA-N	637.699	7.230	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(F)cc3)cc2Br)cc1	408798894	XELNCLNKWADJOH-FYJGNVAPSA-N	567.411	6.288	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC(=O)OCC	408806815	BKFKNDYXSVBVBH-QHDYCIAZSA-N	565.670	6.286	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1	408809237	RCINAZWRBQISTC-CIAFOILYSA-N	539.415	6.693	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccccc1F	408820111	VDZPZKWPIWXJLF-SXGWCWSVSA-N	564.636	7.129	50	40	KKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408825447	JYLMMOIVHIMBHK-XSFVSMFZSA-N	507.384	5.981	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(=O)(=O)c2ccccc2)cc1Cl	408827593	FDHUHSPKKBIEMX-QNKGDIEWSA-N	591.089	5.337	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)c3ccccc3C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408828930	WPUVITUTQLGJMD-OCSSWDANSA-N	536.053	5.705	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408833738	XWMYPHBIBMWSBG-ULJHMMPZSA-N	560.075	6.487	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2c(C)ccc3ccccc23)c(OC)cc1Cl	408834561	VKDDJLPCITVRDI-HYARGMPZSA-N	512.993	6.944	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1OC	408837870	PEOZSICJINKAHM-LQKURTRISA-N	525.468	6.220	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	408841169	JIZOKUVINFDYQT-JGRMKTMXSA-N	568.699	5.545	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408841766	KXZUJOZLWVBKLQ-RVDKCFQWSA-N	658.327	8.247	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4ccc(Br)cc4)cc3)cs2)cc1	408847703	UENUMCXQNSCONK-KVAAJVFYSA-N	676.434	8.730	50	40	KKGB	
CCOc1ccc(NC(=O)N/N=C/c2cc(OCC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1	408858127	JUVKQXYOCFSSLZ-IPPBACCNSA-N	581.294	7.288	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408864581	XZUWMYJNCKNCGH-QXUDOOCXSA-N	635.142	5.410	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(F)cc2)cc1	408869053	PCCJDXWYLHIEJO-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408871104	YCMHABORPNIUOG-ATZGPIRCSA-N	645.952	6.010	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(C)cc1	408874734	FZPDSVHQLPLAOH-VXLYETTFSA-N	500.904	6.801	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1ccc(Cl)cc1Cl	408886741	IRRUMUQFTLEXSZ-CXUHLZMHSA-N	522.215	7.433	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1Br	408890774	YZCNKNGKFPDUMJ-RQZCQDPDSA-N	657.224	7.206	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408893156	CUHPMVHGFBJJCA-LICLKQGHSA-N	535.747	7.246	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408895890	MDLMJRRVHIZDJU-WOJGMQOQSA-N	713.242	7.303	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408905037	SGSFJBQBJDFIOR-ZRGSRPPYSA-N	639.244	6.014	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3cccc4ccccc34)cc2Br)c1	408922913	HMTKQLFMQAYTGE-WKULSOCRSA-N	552.266	7.016	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(Cl)c2)c(OC)c1	408942718	GSULZHZJZUZJLK-NDEPHWFRSA-N	749.027	5.417	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408947283	BSYFHVOZXTUTHR-JAIQZWGSSA-N	569.286	7.082	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408953753	MNVUUGIACKLAOF-JCJNOXTJSA-N	797.430	5.914	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408969076	GXUMTBQLXSWSDY-XJESCPFFSA-N	556.490	5.941	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCC	408971174	NKNTXBFMFHKBMQ-OUQXRLOJSA-N	664.368	5.844	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408972177	NASJRUSIKUONAO-MLKGZHEFSA-N	619.332	7.205	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408998447	JETYKHNFFWYYAN-IURWMYGYSA-N	637.155	8.023	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1)c1cc2cc(Br)cc(I)c2o1	409014513	PYTKGLCMGVNICA-KKMKTNMSSA-N	593.190	6.282	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc1Br	409014577	NBTJKHLKPUDEMU-HDNNTFNPSA-N	609.359	5.453	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409015639	RRFYGPUMQOGRPK-QFDQHJFZSA-N	767.039	8.611	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	409017638	NRTODAVKUNTHSD-BJUCDSOZSA-N	530.411	6.803	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1	409041530	AMMZECTVIVVERK-XZYGTATASA-N	614.927	8.059	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)Cc2cccc(Cl)c2)cc1	409055235	KOWCWGHSXCOZOV-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409070109	KOGRSZMEWOVYLC-WOJGMQOQSA-N	561.841	5.102	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409111673	DLRXAVANDQYNLR-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409154884	LCECESIFIKWUFB-PUHLOBNQSA-N	619.438	5.375	50	40	KKGB	
CC(C)C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2cccc(C(=O)OC(C)C)c2)o1	409163027	KVPMJHMTWGTRMT-VRLIQKKKSA-N	616.542	6.659	50	40	KKGB	
COc1cccc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c1OCc1ccc(C(=O)O)cc1	409188434	ZDRXYGRABWRQIC-PPDIBHTLSA-N	592.240	5.027	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409208849	CNAPNUBLTYHTLX-WQRHYEAKSA-N	608.173	6.447	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	409218209	DLQZMTKOJHPXFO-LDMIZWKJSA-N	588.447	6.637	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccccc1	409225488	QEADPWYNDUVUOJ-UHFFFAOYSA-N	521.573	5.629	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccc(Cl)cc4)c(OCC)c3)c2)cc1OCC	409226733	SBJBHGZGLRWKOL-QVEYLSRLSA-N	656.135	7.171	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1	409262980	GMBXPQMOXZQSRL-NDENLUEZSA-N	611.436	5.488	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)ccc1OCc1ccccc1	409271185	KHFSOTOPNUYECI-FZKWRIDDSA-N	572.061	6.408	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	409271259	TUZYIJSNQQGIRQ-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OC	409302207	IAJSOYDTJNSXSK-YNFMAFFXSA-N	643.159	7.435	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1	409313414	BWFZGAMMZFKLNJ-MOSHPQCFSA-N	547.836	7.346	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC	409318469	WRIUBBLTEHMGSK-MBTHVWNTSA-N	570.396	5.282	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)N1CCCC1	409368616	FAJJUGDJYKIIQR-CXUHLZMHSA-N	524.640	5.973	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1	409371636	FPSSMXJYMAQZNY-ZMFRSBBQSA-N	577.229	5.400	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)c3ccccc3F)cc2I)c1	409372046	RCTQUJJMDIIRIL-ZDLGFXPLSA-N	595.193	6.987	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)cc(I)c2OCc2ccccc2)c1	409372135	OYXOVUXQBKKVQR-LGJNPRDNSA-N	642.231	5.256	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC	409376333	XFBZXFGFDGWDSZ-UNOMPAQXSA-N	505.958	5.229	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1	409388334	UBWVPZWNSAVLDH-BOPFTXTBSA-N	540.801	5.674	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397598	LQHCHCBMDRAFGI-UHFFFAOYSA-N	572.448	7.524	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC	409403568	NJUSPJOTLFLSOW-OFSKBFHASA-N	604.616	5.277	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(CC(=O)Nc4ccc(F)cc4)c4ccccc34)o2)cc1	409405258	SJONHBTXERSLNM-KWQVAVEISA-N	617.681	7.071	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(Br)cc1	409406349	BWKSXZCXNWQVNL-UHFFFAOYSA-N	569.371	5.836	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	1529547400	KXBFPUGPIDJCIJ-VUSQDURTSA-N	740.891	6.873	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	1529548000	VDIYFKCCBUWZFL-XINRNAFCSA-N	716.010	5.265	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	1529548075	WVCBPUFTOIUBTE-HBPAGYSFSA-N	855.449	5.268	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1	1529548370	DXUURLXQEAFAKK-IZQZZFRNSA-N	699.599	5.451	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	1529548394	FKRGVJDINGVPMM-JAKULPNKSA-N	653.717	5.212	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	1257707	ZHBFCMJKLUNTIA-HHHXNRCGSA-N	544.080	6.058	50	40	KKGB	
COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1	1779110	VJKAXCXEOJSMOE-NSTKAWJASA-N	552.026	7.619	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	2277394	LSERKMGXMCAIGA-QGOAFFKASA-N	537.424	7.704	50	40	KKGB	
COc1ccccc1/C=N/NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1	2741621	AMEMUQGYKCFFSG-ZOJKJTATSA-N	535.073	5.481	50	40	KKGB	
CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1	3242019	AEWRDGKDCOLMID-UZWMFBFFSA-N	536.726	7.379	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)C(c1ccccc1)c1ccccc1	3334249	UEFALZUDJCEPEU-UHFFFAOYSA-N	519.630	5.006	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCC)c(OCC)c3)cc2)sc(C)c1C	6167408	FPBXJZNOPFCHFM-HMNPYCRMSA-N	581.691	5.509	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12	8812701	BZMRJKLFJKXPTG-CCVNUDIWSA-N	510.819	6.186	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/C=C\c1ccccc1[N+](=O)[O-]	13382292	MYYLTCZHSZJGHS-VTPBEVPDSA-N	505.987	5.554	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1	16712274	IMYYKPBRUGZVGZ-NDZAJKAJSA-N	514.655	5.449	50	40	KKGB	
CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1	20573163	CSQNVSHYQLGMOS-IADCTJSHSA-N	520.633	5.953	50	40	KKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	28215116	PNGKUSZSZQNUMG-FDAWAROLSA-N	513.663	5.468	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	32138959	PGKCCFALWKNUBR-YUMHPJSZSA-N	500.467	5.150	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccccc1	34704028	OLZRDBHOTKMIIQ-YZSQISJMSA-N	506.429	5.329	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)O[C@@H]1SC	95803331	OYSKUZDIHNKWLV-PCIWAKOQSA-N	663.406	6.422	50	40	KKGB	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3cn(Cc4ccc(Cl)cc4Cl)nc3-c3ccccc3)C3=C2CCCC3=O)s1	98007239	KLVAWFYVJSXVME-AREMUKBSSA-N	648.645	7.562	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	98045733	PMQIYEAFNGPYIV-XMMPIXPASA-N	527.631	5.596	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(OC)c3)=C(C#N)[C@H]2c2ccco2)cc1	98048623	WETHKHWCYNAENF-MHZLTWQESA-N	528.634	5.557	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl	100028967	QSXTTZVIMXRBCQ-LALAMYQUSA-N	591.687	5.795	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1Cl	100117378	YGJLFMJDHSISQR-VYVUJPJFSA-N	531.749	6.162	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	100184192	PREYDKIGEAOOOQ-OKCVXOCRSA-N	553.990	5.493	50	40	KKGB	
COc1c(Br)c([C@@H]2ON=C(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)[C@H]2C)c(Br)c2c1OCO2	100237720	VAGIKPSHXOMLKQ-BPODONDRSA-N	595.288	5.460	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Cl)cc3Cl)nnc2-c2ccc(C)cc2)cc1	100853632	RCHKEVDWEONVTA-STBIYBPSSA-N	540.476	6.191	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1	100858288	BYJFPPFVIHSFPL-NDZAJKAJSA-N	534.085	6.399	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc4ccccc34)NC(C)=C2C(=O)Nc2ccccc2)cc1	102187646	RXVZSNDGEYTDAD-YTTGMZPUSA-N	574.706	6.945	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)N1	102416225	IKHXCPIRMACDKP-XMMPIXPASA-N	555.512	6.761	50	40	KKGB	
N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SSc1nc(C23CC4CC(CC(C4)C2)C3)ccc1C#N	104070192	GQSFUTXWNVLDNH-UHFFFAOYSA-N	538.786	7.955	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](Br)C(=O)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C	118923342	QPEUNNHJRQSZCH-NOINSDCXSA-N	544.456	8.424	50	40	KKGB	
CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341202	HCVUUBLNRLYWFR-SCSAIBSYSA-N	952.115	12.047	50	40	KKGB	
CC[C@@H](Cl)COP(=O)(OC[C@H](Cl)CC)O[C@H](c1ccc(Cl)c(Cl)c1)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	150385750	LTNOIMLGRMWAQH-ZFVCPDAYSA-N	699.200	10.446	50	40	KKGB	
COc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccccc1	408538422	MPTUTOQWXUPHCR-LMOHNTGSSA-N	654.792	8.793	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)ccc1OCc1ccccc1	408539068	FCRKBSDAJDAHCX-CFRMEGHHSA-N	633.926	7.823	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2)ccc1OCc1ccccc1	408539265	UXBSFJLQAVAXNR-USHMODERSA-N	518.613	7.097	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408540257	PHSLEEHHGAWJSJ-CAQPMQTCSA-N	559.460	6.688	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(I)cc1	408542185	HVZQVYHKKSOXAC-GRSHGNNSSA-N	590.211	6.404	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554150	QMDHHORTPOFMQZ-LZYBPNLTSA-N	566.666	7.500	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)c(Cl)c1O	408566520	AHTHQACTCZDOTE-AUEPDCJTSA-N	531.881	5.215	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1ccccc1Sc1ccc(Cl)cc1	408570223	SVQHMORMHQLRNC-YSMPRRRNSA-N	501.098	6.499	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1cccc(I)c1	408570829	ZAEUFKXHQJAEDH-VULFUBBASA-N	577.513	5.706	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)CC2=O)cc1	408604995	JLAGAKOONXNZAW-SFHVURJKSA-N	514.409	5.467	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408649955	LUYQOOZNHQPDIQ-LJOMWUKNSA-N	643.159	5.400	50	40	KKGB	
O=C(NNC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccc(Br)cc1	408650973	GDJPOXGZMOVAKJ-YZLFETNZSA-N	689.393	5.415	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408679334	DTSOTSRRNGLVCR-ZYGGUILKSA-N	634.108	5.381	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408726330	RYSXKQGEHGZCRQ-UNOMPAQXSA-N	556.254	6.735	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC)c(I)c2)c1	408744728	GWTXXJFSULKKCW-ZSOIEALJSA-N	588.183	5.239	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408745063	PCURXNUOVZLRSO-NDENLUEZSA-N	506.942	5.570	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1cccc(F)c1	408747134	JKKSOCGIIMOGRS-JMIUGGIZSA-N	542.348	5.241	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccc(Br)cc1	408747277	LMXXHVCGNXRXTD-ATVHPVEESA-N	525.233	7.305	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1	408763320	ITQGVQFDOCQFPI-KBVAKVRCSA-N	604.482	5.144	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(I)cc1	408766048	YWIQLPAZMHUHHN-PTNGSMBKSA-N	563.178	6.363	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1	408767931	RHXOCAXGNYWAOK-HKWRFOASSA-N	524.448	6.973	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1	408788059	ANQNOLWHJFIFBV-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408793490	FBYLNQHSYAGBHZ-YDZHTSKRSA-N	670.288	7.482	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(Br)cc1	408795255	KRVJNNSMBHWSLC-WOJGMQOQSA-N	590.699	7.388	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c(C)c1	408795814	NEZPSYFIPCYNAD-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(C)cc1	408795965	NSQKHODOHAQUHH-RGVLZGJSSA-N	572.830	6.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1cccc(F)c1	408797450	RPDSPAKNOWJQEA-VCHYOVAHSA-N	529.793	6.765	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3)cc2Br)cc1	408797512	SEVSWNQDAYURII-FYJGNVAPSA-N	535.394	5.759	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)NCCc1ccccc1	408803813	ASYLCFWWXVKVLY-BUVRLJJBSA-N	684.315	6.894	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408804341	XSFNAPARIFEIFL-ZVHZXABRSA-N	533.466	7.152	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408827376	CTLYKVHIRZDODC-TYGBLEFESA-N	608.547	7.070	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cccc(Cl)c2C)cc1	408827538	KJIPDFAOGMFNOQ-FABQOPTDSA-N	639.561	5.973	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)o2)cc1	408827562	KKMPMMNEKVWUQT-XHPQRKPJSA-N	574.102	5.898	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	408842487	ADYKKKOHKSPUCJ-UDWIEESQSA-N	513.229	7.253	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408844166	OSMOICGQQKGSOU-RVDKCFQWSA-N	705.327	8.089	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1cccc(F)c1	408846129	QSGJSGSURCUQER-QNVXDBMFSA-N	621.521	8.351	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408849440	YNWPQSWAFHVMQL-AMVVHIIESA-N	578.437	7.793	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)NCCc1c[nH]c2ccccc12	408854714	BNGSETFFQRLERX-BKUYFWCQSA-N	518.386	5.914	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OS(=O)(=O)c1ccccc1	408892402	AZSGZXDJYHNLRB-VULFUBBASA-N	653.545	5.310	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408896915	UTVTXMOOVKOIGM-VIZOYTHASA-N	537.186	7.333	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408900598	WNHHEBAYEHSFBG-CPNJWEJPSA-N	542.345	6.275	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccccc1	408909299	GGVMLWLSQHLGST-FMFFXOCNSA-N	602.485	5.252	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2Cl)c(OCC)c1	408938848	AJHFLVLVKYIWMA-LJAQVGFWSA-N	763.054	5.807	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(Cl)cc1	408966056	YUXODUUWXMSXPR-IBBHUPRXSA-N	502.920	6.439	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008084	SXPWNNRGAYCYOC-FZKWRIDDSA-N	582.657	5.853	50	40	KKGB	
N#CCn1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc21	409012183	JDJXIAMNMLFEGX-YSURURNPSA-N	547.150	5.042	50	40	KKGB	
Cc1ccc2c(c1)c(/C=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)c(C)n2Cc1ccc(Cl)c(Cl)c1	409033062	KJFATOUREURQGK-KOKCXWAISA-N	577.515	8.592	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(Cl)cc1	409034292	QEVASHWTOMKPMC-APTWKGOFSA-N	522.004	6.907	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cc(-c2ccccc2)nc2ccccc12	409036113	KOXOXIUJIJRTRN-OHUYPAJKSA-N	526.423	7.552	50	40	KKGB	
CCCOc1c(I)cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OCC	409063881	NTFGFJRHJQBHEF-MWLSYYOVSA-N	583.426	5.097	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	409074871	NKHBVQURQVCYFX-NTEUORMPSA-N	542.227	6.614	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1	409082933	KDGMXWPHAVMQGE-NTUHNPAUSA-N	622.613	7.019	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1Cl	409160122	XVYQCXXEJSSRIX-KBVAKVRCSA-N	542.463	6.539	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1ccc(Cl)cc1	409191874	PICSOSPJQLOUBW-RWPZCVJISA-N	540.788	6.441	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc([N+](=O)[O-])cc1	409202722	UJNJZJICYKROPS-MFOYZWKCSA-N	642.618	7.101	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1	409227162	SSQFFEBXCMIQAU-UHFFFAOYSA-N	596.854	6.891	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409229565	RCYAXMASOYCLHB-HAHDFKILSA-N	562.464	5.440	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)c(C)c1	409249445	ILHDHVUOLCQBKB-ZDLGFXPLSA-N	528.823	6.827	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1	409255389	HPXSXRHALIWICK-WJDWOHSUSA-N	545.220	6.319	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1C	409265018	NGMPQZRVKUWJIK-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)c1	409272441	YTAVEPTVYRLPIJ-NHDPSOOVSA-N	522.432	6.790	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OC	409313337	POELIBYAJMYWPJ-CPDSRJINSA-N	596.305	6.905	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1OCC	409316737	QUIYYJRHXXNCMO-QRQIAZFYSA-N	575.481	5.477	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OC	409321419	HMPCSUBZLNIMMX-QRQIAZFYSA-N	547.029	5.068	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OCC	409327233	RNEBJQAEMAIPBC-NTFVMDSBSA-N	549.432	5.489	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409335470	OEBNYFQAFWOQDJ-ZMFRSBBQSA-N	636.355	5.080	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	409358658	KZRFGDBTJISWNI-KKMKTNMSSA-N	507.215	5.897	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	409359867	CGJUVTHBNSXRSA-CPDSRJINSA-N	643.305	6.286	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1Cl	409372302	KMVDUAUXCDGLLN-BCHBDCPOSA-N	634.723	5.659	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)n1	409377500	HNXALYXTBFCXFQ-SRZZPIQSSA-N	565.265	7.005	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1	409381738	NCJPYUANOQNEDZ-BOPFTXTBSA-N	554.372	5.169	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCC(=O)Nc1ccccc1	409386500	QKTFXHZMYYADRL-UVHMKAGCSA-N	630.420	5.204	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1cccc2ccccc12	409392376	LTOOYSHEMXNYPR-QRVIBDJDSA-N	502.383	7.783	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCc1ccccc1	409392895	TUSLTIAIAGOZHL-KBVAKVRCSA-N	532.438	6.142	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)c1	409394969	IEWPXMCGJYKGDF-UHFFFAOYSA-N	750.658	9.312	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409396340	XTZXTVKLAJYMGJ-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396470	RVKBGAWWEZCPCU-UHFFFAOYSA-N	636.919	8.186	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409396688	ADMPTYBXIDVXLI-UHFFFAOYSA-N	503.558	6.135	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1	409397206	HJOAKCSPGUUDRU-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409397219	HMPHOFRMWOMDAB-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccccc4F)c([N+](=O)[O-])c3)o2)cc1	409401565	HNSIFVOCDLJRBE-AEUUOICLSA-N	625.613	6.095	50	40	KKGB	
CCOc1cc(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409410660	ZIHPAESKTBTUNR-MNBJERMJSA-N	515.610	6.136	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1	1529548240	ZMOZMVICXPJTHT-JYALLGCPSA-N	763.452	5.518	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(OCC)c1	1529548625	KDASUUITTUBXPG-VIRGETDSSA-N	778.669	6.307	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/C(Br)=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1	1865769	DEKUVERXWRDRCO-BMLQAHPBSA-N	593.572	6.265	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	1896651	SICBCKKZWDSBCH-QHCPKHFHSA-N	566.894	5.904	50	40	KKGB	
N#C/C(=C/Nc1cc(Cl)ccc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	2277884	VRIYHYVXVSVZGF-XFXZXTDPSA-N	519.207	6.962	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cccc(Br)c4)o3)sc2c1	3667030	FFJCOBWOXCUEOC-FSJBWODESA-N	502.415	5.966	50	40	KKGB	
Cc1cc(I)cc2c1N[C@H](c1ccccc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6194055	PFITVAHMWKMAJH-UHMZFBJVSA-N	576.887	7.546	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)[C@@H](Br)[C@]1(C)CC(C)(C)C[C@@]2(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1	8385092	GNNDJWJSGUVPLJ-NIJXNBFTSA-N	549.418	6.078	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1	8396459	HGARYXQIPSKBPC-KEIPNQJHSA-N	563.731	6.121	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)cc3C)c2C)cc1	20243638	AZZGURCJWWQOKB-UVHMKAGCSA-N	514.489	5.866	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C\c1cc(Cl)ccc1O)N/N=C\c1cc(Cl)ccc1O	36243687	BHAPPEFYHBANSQ-USYBVIFISA-N	507.418	5.126	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	97950977	HKEIPSZUVJZZPB-MUUNZHRXSA-N	543.092	6.663	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	97951886	QWJJRBOSWYYBIV-DEOSSOPVSA-N	549.450	5.749	50	40	KKGB	
C/C(=N\NC(=O)c1sc2cc(C)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)o2)cc1	97965773	FOUCKUOXRGKEQG-UVHMKAGCSA-N	530.831	6.625	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccccc1	97985300	LEAADESUGUJCGJ-MHZLTWQESA-N	578.616	6.421	50	40	KKGB	
Cn1nnnc1SCc1csc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c1	98007418	QMZXEQZJVORDSX-NRFANRHFSA-N	538.102	5.158	50	40	KKGB	
CCCCCOc1ccc(O[C@H](C)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1	98045807	ZEYOFHVBNKHVTB-FRDWBBKPSA-N	539.470	6.515	50	40	KKGB	
COc1ccccc1NCc1nnc(SCC(=O)NN=C2CCCCC2)n1-c1ccc(Cl)cc1Cl	98045843	PHDNWUXNPYESIJ-UHFFFAOYSA-N	533.485	5.723	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)c2C)c1	100100233	DXGGRBKEWMDVAH-KBVAKVRCSA-N	546.534	7.530	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	100145522	KGOWMMGBTSJECZ-LJUMEUDFSA-N	569.514	5.742	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1	100220812	SGULDFYJCFXVRF-ZCTHSVRISA-N	565.095	5.492	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Br)cc1	100227466	NHHHSTSODYENBY-NDENLUEZSA-N	617.281	6.886	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1Cl	100335606	RGTWBUFSJIRHJW-RGVLZGJSSA-N	572.830	6.695	50	40	KKGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccn3c2=O)cc1	100895896	CKHAWOSIPXFPLO-VFCFBJKWSA-N	546.652	5.548	50	40	KKGB	
COc1cccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)c1	100898907	DNEJGVGZWAZWJV-PKAZHMFMSA-N	536.455	5.338	50	40	KKGB	
COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)c(C)c3)C2=O)cc1	101084896	NABLYYONOSCHKZ-KVILUOORSA-N	518.038	6.030	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	101564843	PJLQCKDCOWHIQD-XMMPIXPASA-N	542.488	6.439	50	40	KKGB	
COc1cc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)ccc1COc1ccc(Cl)c(Cl)c1	101665493	JQHUWBBKVYULMF-KPGMTVGESA-N	560.909	6.597	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C3=C(O)CCCC3=N2)c(OC)cc1Cl	102503557	NQEIUGIXIGUTTE-HSZRJFAPSA-N	514.003	5.900	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc(F)c1	103890040	RHHSQHWSKPHBQZ-SXGWCWSVSA-N	550.211	7.028	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C(=O)O)cc1	103890505	ZZWLMNDUTNMARV-ZDLGFXPLSA-N	590.257	6.977	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)cc2)S(C)(=O)=O)cc1C	103895665	DBZRJAWJXDLBEY-ALQBTCKLSA-N	619.143	5.704	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3OCC)S(=O)(=O)c3ccc(C)cc3)o2)cc1	103897207	SWKFOXWXGLIQOR-UZWMFBFFSA-N	589.670	5.176	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918301	RHVUWCOPIAXOFJ-UKEVNPHNSA-N	565.746	10.076	50	40	KKGB	
CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341506	QYRXIVCCQGSUDP-NSHDSACASA-N	1000.300	14.142	50	40	KKGB	
CO[C@@H]1O[C@@H](CBr)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1	150412642	ZJEJBLWGAZBXNH-NKJFZZPESA-N	984.043	13.885	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1	150464140	ZACAKMUCCWAGLJ-KBVAKVRCSA-N	629.964	5.864	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795391	DCEHCDLESIVEJY-CHWSQXEVSA-N	972.209	13.092	50	40	KKGB	
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@@H]1CC[C@H]2OP(=O)(O)O	255961754	ADFOJJHRTBFFOF-MKQKURRLSA-N	520.390	5.299	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	408537506	FRTKFLGFDWIAGX-UYRXBGFRSA-N	530.419	6.651	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	408540477	SHAACVFWUWHZLP-QMRORBIVSA-N	613.430	7.398	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2OC)ccc1OCc1ccccc1	408540818	WDBVXPMVMPLXIU-FZPRHHONSA-N	654.355	7.151	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OCc1cccc2ccccc12	408542149	HCWYPGCYVXEJBS-ZVHZXABRSA-N	599.472	7.979	50	40	KKGB	
COc1ccccc1NC(=O)N/N=C\c1ccc(OCc2ccc(C(=O)N3CCCCC3)cc2)c(OC)c1	408542866	OHGYPYUKUKLGNP-FSGOGVSDSA-N	516.598	5.065	50	40	KKGB	
O=C(O)c1ccc(Cn2cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c3ccccc32)o1	408544769	XFCCOHCUTZLIFN-YPXUMCKCSA-N	632.208	5.858	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(-c3ccccc3)[nH]c3c(C)cc(C)cc23)c(C#N)c1C	408546153	DNUPVMCWRXQNQW-FYJGNVAPSA-N	507.615	6.589	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c(C#N)c1C	408546916	OUYYOYXBDPGACE-RGVLZGJSSA-N	542.686	6.043	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)ccc1OCc1ccccc1	408550718	GUAGVJOFQXWMAK-AEVGBRMKSA-N	715.428	7.914	50	40	KKGB	
Cc1ccc(NC(=O)Cn2cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c3ccccc32)cc1	408570539	WMXIGYSPQYAUOR-OKCVXOCRSA-N	544.702	5.596	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	408612444	VKHBKYXFGWCFEE-MZJWZYIUSA-N	514.807	5.333	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408688402	WGGJAEOEORHEFU-NCOADZHNSA-N	634.108	5.381	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccccc1Cl	408711737	IDDJEASSNBLZHB-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
COc1ccc(N(Cc2ccc(C(=O)NN=C3CCCCCCCCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1	408721678	KUOLSMSPIBXLMD-UHFFFAOYSA-N	575.775	7.481	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(C)cc1	408726088	PNXJAMBENBKQBR-NDENLUEZSA-N	554.384	5.829	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccc(Br)cc4)cc3)cc2-c2cccc3ccccc23)c1	408726667	SLOKSFRHANKKCC-SEBMTOOBSA-N	615.531	8.106	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1I	408743090	DNKHARYTYOEALW-ZSOIEALJSA-N	511.157	5.307	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)o2)c(Br)c1	408743658	WUAJICMRQPGJDD-GUBAARJWSA-N	600.516	8.906	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)NCc1ccccc1	408747867	UXIQQUVOLHQAAW-LSCVHKIXSA-N	506.216	7.103	50	40	KKGB	
C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC	408760551	ASJGYKHHYUNFBJ-DHDCSXOGSA-N	504.178	5.168	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408768727	INMBVDPDSZONIN-MTJSOVHGSA-N	597.409	6.340	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c1C	408787468	AOBWSVQJZGEKTM-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1C#N	408795092	LCOPRMXAHGZXDO-MTDXEUNCSA-N	529.596	6.661	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408804871	ZUKBQIFMGIXSGZ-VCHYOVAHSA-N	654.673	6.982	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)cc1	408816988	MOCRERZUXARYRW-NKFKGCMQSA-N	550.684	6.841	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1CC=C	408829062	WXUFBNLRQXTONX-MXAYSNPKSA-N	516.189	5.462	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408855587	GPEFVCKJKPODFA-PPDIBHTLSA-N	654.096	6.905	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc(C)c1OCc1ccc(Br)cc1	408856079	PFPQIKHCDKHJDG-LUOAPIJWSA-N	611.128	6.639	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408861633	UAQLBCIGFBDMEY-PNQUVVCRSA-N	663.805	6.222	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1	408870688	WKAWPGUVQYIANN-YBFXNURJSA-N	515.329	6.901	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408874345	AGOBXLQIOIKBSJ-OXUBWTJQSA-N	572.257	6.765	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccccc1Br	408887752	SZRPGDWIFBVWRL-XDHOZWIPSA-N	633.280	6.586	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(I)c1OC(=O)c1ccc(OC)cc1	408889435	GYMFPSUNMNLDMB-WOJGMQOQSA-N	643.390	5.380	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1	408893740	HENCDTBAWIXSBZ-FMFFXOCNSA-N	514.666	6.598	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408898552	WTWFGLBOISOOHQ-CXUHLZMHSA-N	547.192	6.789	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905291	WRWCALQKELBRSJ-BCHBDCPOSA-N	746.093	6.656	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc(F)cc1	408909985	VLJOCFVXJRGNFJ-PPDIBHTLSA-N	565.237	6.402	50	40	KKGB	
CC[C@H](C)Oc1cc(Br)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	408913599	VQRGPDRIMOLQMQ-ADXYVXIDSA-N	511.416	5.021	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccccc2Cl)ccc2ccccc12	408938955	ARSDVWRWUPRYLS-YTTGMZPUSA-N	643.165	5.957	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)c(OC)c1	408938983	ATFCIQDVKZSYIJ-XIFFEERXSA-N	638.746	5.312	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cccc(C(F)(F)F)c1	408964253	QFBIXRGYPABEBX-VPUKRXIYSA-N	590.621	7.227	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1	408965253	VATBZAZIEATLCU-KVSWJAHQSA-N	511.725	6.464	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccccc1C#N	408979315	MLOUAFKPAJJLCI-RBIQANPVSA-N	596.709	5.404	50	40	KKGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)OCc1ccccc1	408985847	BFZKYUXAEMAVOX-ASYZDWHGSA-N	626.511	5.892	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	408988527	RCMYTBIFZCZNLE-ODLFYWEKSA-N	525.786	6.234	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(I)c2)c1C	408991142	ZFZWBLFPQRWCTC-WQRHYEAKSA-N	515.782	6.206	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408994461	GDJMLPIPTFONMU-ORBVJSQLSA-N	605.085	7.009	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409001896	XMNZLTPWKUOWAG-SXGWCWSVSA-N	602.537	8.824	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	409025228	OEJJEQXBIWYBJO-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1Cl	409053476	YQQCCFGUYJXUNN-LUOAPIJWSA-N	526.645	7.061	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1	409057463	QKOKKJLEFYQPDK-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c2cccc(Cl)c2)cc1	409109277	AVCLWUXQQHXRAM-KVAAJVFYSA-N	662.979	6.589	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409112709	GFTHIEOJBRJMJK-KVAAJVFYSA-N	675.591	5.781	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	409141853	JGFDDFMKLHFRIB-OAQYLSRUSA-N	565.194	6.101	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1	409143486	GUGUFDYEMBBFTE-QXUDOOCXSA-N	585.726	5.541	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1	409172055	BHLKZIYSKRPCGO-HIWRWHBISA-N	576.959	5.036	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1ccccc1	409222660	CSZWCJMBUZPEMG-HBFFOVPNSA-N	520.243	7.664	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409251165	ZYDNHTBJTAUBCO-HAHDFKILSA-N	600.884	6.578	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1OC	409311484	ZYMAQYYIOMRQSQ-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Br	409322896	LQMBSPOLGOENOE-VYYCAZPPSA-N	562.258	5.962	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OCC	409324777	VNAGJWNBIIFFFN-QRQIAZFYSA-N	531.030	5.368	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1OCC	409324929	WNEBRISXRVZMNA-FDVSRXAVSA-N	517.460	5.967	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409344994	KPOVEMAYRQRYCO-LUOAPIJWSA-N	735.114	5.708	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(I)c1OCc1ccc(Cl)cc1	409364704	OUQCPEAMROUXQL-FDVSRXAVSA-N	606.844	5.386	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372467	XZNYPFPMLDAKFV-IUXPMGMMSA-N	504.167	7.307	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2c(Cl)cccc2Cl)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409373750	ZSDYEBYKMCGBKA-FTCYSYDXSA-N	587.356	6.567	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccccc1F	409375648	NMTFDICTOWLFCU-LICLKQGHSA-N	606.370	6.569	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cccc(OCC(=O)Nc5ccccc5F)c4)cc3)cs2)cc1	409380681	AUOFUPSHKRHUQF-HQDYHJHZSA-N	579.657	6.783	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OC(C)C)o2)cc1	409402800	LBYHYNYKJHJBGK-MNDYBZJGSA-N	595.450	6.488	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409403189	MCZIZPNAKLXQLD-NEFCHJHOSA-N	572.662	5.426	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccccc1	1529547485	LDSHBCVQUUYZAC-HLRVFXRASA-N	810.452	5.360	50	40	KKGB	
CC(C)(N)CC(C)(C)CN1[C@H](Cl)N2C(Cl)N([C@H]1Cl)N(C1CC(C)(C)NC(C)(C)C1)CCCCCCN2C1CC(C)(C)NC(C)(C)C1	1569985916	QMUSYDKDFQWQMN-NSOVKSMOSA-N	708.352	7.253	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)n2-c2ccc(Cl)cc2)cc1	1774197	RDGDVOXHBGMZRS-MUFRIFMGSA-N	504.059	6.262	50	40	KKGB	
COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)[C@H]2[C@H](CCCN2C(=O)C[S@](=O)c2ccc(C)cc2)[C@@H](Cl)C3)cc1	8665696	FUFMXEHZPUASGK-ALIMDONCSA-N	611.185	5.446	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)C(c1ccccc1)c1ccccc1	15906656	VFPOUPGISLTAHZ-NCELDCMTSA-N	504.590	5.815	50	40	KKGB	
CCCCCN(CC)c1ccc(/N=N/c2sc(C=C(C#N)C#N)c(-c3ccc(O)cc3)c2C#N)c(C)c1	16638457	UZYIMFHAWFZJLE-JEIPZWNWSA-N	508.651	8.163	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1	58914985	WNUMHEJZFLRWDH-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	59485119	RLBYNMPTKZVENQ-ODLFYWEKSA-N	501.751	6.596	50	40	KKGB	
c1ccc([P+](CCNCCNCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	73389025	RTYNUXKTLFAESX-UHFFFAOYSA-N	638.776	6.154	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	97951789	NVQSNSDVWWEQBP-SSEXGKCCSA-N	538.669	6.633	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1)S(=O)(=O)c1ccccc1	97962659	XTGFEIPQMLQMSN-QXUDOOCXSA-N	584.097	6.667	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(Br)cc(I)c1O	97965034	LVCLKOOSOKOVEP-AUEPDCJTSA-N	588.037	5.368	50	40	KKGB	
C/C(=N\NC(=O)c1sc2cc(C)ccc2c1Cl)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	97965774	BXSLMLCVCBZMIL-MPRHAZATSA-N	553.887	6.789	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCC(=O)N/N=C\c1c(O)ccc2ccccc12	97966462	VPSYEYCQAPJRMG-YPAGLRGZSA-N	663.562	7.053	50	40	KKGB	
O=C(N/N=C1\C[C@H](c2ccccc2)Oc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	97980735	DITRLUBKNBYJPL-OHQITXMPSA-N	532.021	5.799	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)N2)c1	98048630	DJQKVZQGWGDVRK-VWLOTQADSA-N	603.022	6.667	50	40	KKGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)c1	100100180	PEYFWWUBFIGQMT-WCMJOSRZSA-N	566.952	7.875	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C2C3CC4CC(C3)CC2C4)cc1	100218597	YIVJXOIUHDVQKC-JVWAILMASA-N	554.532	7.942	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OCc4ccccc4)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852067	HYSWQDHDFZBLFY-HPNXWYHWSA-N	605.764	7.062	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc(-c2ccccc2)cc1	100854628	SOUDTSRUPYUIBJ-ZCTHSVRISA-N	530.097	7.013	50	40	KKGB	
CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccccc3Br)c3cc(Br)ccc32)C1	101090481	SROFVMPTASLMKF-JHPRERPFSA-N	588.344	5.550	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2OC)=C(C)N1	102808851	NYPOHCOLDGBYJV-MHZLTWQESA-N	579.078	5.965	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3Cl)N=C3CCCC(O)=C32)cc(OC)c1OC	102883463	LOZXWXVMSWUFJD-HSZRJFAPSA-N	531.461	7.222	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1	108229481	ZAUSJELBHSWTHZ-XNTDXEJSSA-N	521.373	6.970	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Cl)c1OCc1ccc(Cl)cc1	112254381	XLXNZRPVACILKK-KBKYJPHKSA-N	524.198	5.813	50	40	KKGB	
CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341173	UTKRRHRPUAWUHZ-SCSAIBSYSA-N	652.073	8.235	50	40	KKGB	
CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341212	JANJXOBWOBVXSV-YFKPBYRVSA-N	716.107	9.260	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(Br)C(=O)CBr)[C@@H]3C[C@@H](Br)[C@]2(Br)C1	150362843	KPZJILDRZNNZHU-RDAJJVQJSA-N	676.122	6.949	50	40	KKGB	
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCC/C=C/CCCCCCCC	150382806	OTXOSURQGSBRDE-HHYAQWJKSA-N	901.091	15.500	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(OCC)c2)cc1	216065998	SYWRMUJPHIIBNV-OGLMXYFKSA-N	558.416	5.822	50	40	KKGB	
N#CC1=C(N)S[C@H](c2cccc(Br)c2)[C@](C#N)(C(N)=S)[C@@H]1c1cccc(Br)c1	222032048	NSAOTWDYZLQQJG-MBOZVWFJSA-N	534.302	5.273	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1	408539046	DWFUBQQCVZKPCH-HQDYHJHZSA-N	623.931	7.432	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c(C(=O)OCC)c1C	408547557	YYLRYRXIABFPFF-WSDLNYQXSA-N	591.638	5.415	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1O[C@H](C)CC	408570960	ZVAFUMGLJIJDES-JOBSNELWSA-N	553.544	6.033	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2Br)c1	408579923	LMTGSNJNCLEYNN-LZYBPNLTSA-N	595.118	7.909	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Br)cc1	408612134	XQCUDQJNAVUFQQ-QGZVFWFLSA-N	544.833	5.186	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccc(Cl)cc1	408661612	RBHSTMYDLAUZPT-KENYODAJSA-N	610.925	5.255	50	40	KKGB	
O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1CC(=O)N(c1ccccc1)c1ccc2ccccc2c1	408672553	NSMBIJIWEOCWFB-YGHIHULVSA-N	582.292	5.282	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408678421	YWLBKOKTVRZMKK-STBIYBPSSA-N	614.440	5.541	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OCC	408711812	LVAQKIRJRRSLTF-WSDLNYQXSA-N	531.188	5.005	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)c1	408745012	JANYPQUQBZFYJM-UQQQWYQISA-N	526.036	7.271	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)cc1	408746367	YQNXBYMTJYHMGU-UNOMPAQXSA-N	586.280	6.744	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)NCc1ccccc1	408747018	JEJVACKPZAQNEP-GRSHGNNSSA-N	638.218	5.837	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1I	408752798	CIZLHBIIBYYLNZ-WJDWOHSUSA-N	563.178	6.363	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408753104	HTCLZMNGYNVANN-UVHMKAGCSA-N	586.291	5.995	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1	408754089	LVQSBQXKIIYDPY-XSFVSMFZSA-N	569.433	5.248	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408757067	WKAGZOBBDONHNE-LGJNPRDNSA-N	651.542	5.376	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408774094	AMLZKMCQWZQAIW-STZFKDTASA-N	615.753	6.700	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408787450	AHBVYUIDMLZBGT-PCLIKHOPSA-N	583.438	6.851	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408789897	SLRLMYAIHBTDFQ-CAOOACKPSA-N	639.127	7.430	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I	408798050	UMDVMXPHKUTBOF-KPKJPENVSA-N	578.575	5.494	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1Cl	408798995	XNFTTZKFLQQMDG-CIAFOILYSA-N	586.857	7.085	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1Cl	408813787	YNRHEGDNLJADGZ-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408815884	STDSRYGAGQLMQD-GRSHGNNSSA-N	556.800	5.822	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408824949	IIWWHVWMZRNHNX-REZTVBANSA-N	687.745	7.792	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408828183	DEHNDCMAMSTDQN-OEAKJJBVSA-N	604.446	7.614	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCc2cccc(C)c2)c1	408828934	OGHRPGITVZSZHX-YZSQISJMSA-N	539.031	7.361	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408840374	FLUPSIKANAVOHV-HNSNBQBZSA-N	665.566	5.129	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)Cc3ccccc3)cc2)cc(OC)c1OC	408841632	FXNYUCRHTRJGON-ALQBTCKLSA-N	646.494	5.639	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc(OC)c1OC	408844377	NYQXCARVRFWOIM-YLYVUXRMSA-N	801.897	8.341	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1cccc(F)c1	408849332	ZRBLROBLIZAZID-ROPCREHHSA-N	572.584	6.715	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408849414	YIKOIUWDNXYWRT-ATZGPIRCSA-N	588.472	7.444	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1	408885939	HCKOLHQUJVWPBF-QGOAFFKASA-N	570.237	6.294	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Br)cc1	408904032	CPZWUZZKZNRXKD-PPDIBHTLSA-N	587.224	6.517	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1cccc2ccccc12	408904070	DFONLSJWYGLJKX-MNDYBZJGSA-N	574.387	6.608	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)ccc1Br	408905593	ZQUVEYBIPNAVAG-BCHBDCPOSA-N	586.111	7.561	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	408910366	KLTRZRDJESPZIP-IAEWTUJKSA-N	561.480	5.568	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2Br)cc1	408924558	MXHYFVBGZDXGOU-RCCKNPSSSA-N	590.455	5.874	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3nc4ccccc4s3)cc2Br)cc1	408924702	NQTGGRNLHJPBOK-SFQUDFHCSA-N	554.447	5.849	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(I)c1	408948597	PPBZJNUMDPQDQC-HHHXNRCGSA-N	889.348	6.122	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2Br)cc1	408970219	CVZAEKIQKZEVKV-HYXXCGHRSA-N	683.430	7.288	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCc1ccc(Cl)cc1	408970833	KZCPHOLNMKHUGR-IPPBACCNSA-N	557.828	6.599	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408973118	ZARHBFMRKPRBDT-FXRRECNFSA-N	540.447	5.203	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1Cl	408982580	IBEBKBIAYZQYIC-IUXPMGMMSA-N	550.667	7.842	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409024205	BMTGYNNETDIYHX-VLPDKPCNSA-N	605.116	6.080	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(C#N)cc1	409032986	KAZHOOKXWKLMFY-QXUDOOCXSA-N	512.569	6.125	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	409058038	RVSJEXKUYUGAQF-ATZGPIRCSA-N	616.954	6.567	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(F)cccc1Cl	409061837	IVEKBOOVMKQLSY-IPBVOBEMSA-N	546.810	5.266	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409064079	BNLFEPHADCHNHB-RGVLZGJSSA-N	538.387	6.763	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc4ccccc34)c(Br)c2)C2=C1CCCC2=O	409130077	VXJRIKSKWWJRLM-AREMUKBSSA-N	514.423	5.911	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cccc2[N+](=O)[O-])cc1OCC	409219436	QMQXYSWRDIVGQM-QJOVZPHJSA-N	686.674	5.653	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc(OC)c1OC	409219762	UQFJHYNHBZMIGJ-UHFFFAOYSA-N	622.461	6.255	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3ccc(Cl)cc3)cc2)c1	409227055	XFSUGNINJNAHRJ-PRXMMUDFSA-N	572.448	6.937	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c(C)c1	409255233	ZMBUOHVZDOEDNZ-NVJOKUIPSA-N	593.703	6.263	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)ccc1OCc1ccccc1	409256692	OSHLXIFETPNPRN-AEUUOICLSA-N	666.956	6.870	50	40	KKGB	
Cc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c1	409271707	WCAWIVSNZVHHMM-RPPGKUMJSA-N	536.651	6.516	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OCC	409314306	QYAGMRMEVCHHNE-UHBFCERESA-N	631.467	5.187	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)c1	409365258	UASBHOSXYNBYRG-LDADJPATSA-N	508.347	5.460	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1	409371887	BGRVUNDBBLUJMS-IBBHUPRXSA-N	504.373	6.370	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	409384906	FYOZZEONTKBAFF-RPPGKUMJSA-N	589.265	6.677	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409393935	TWISGAOVOOWCKL-JAIQZWGSSA-N	556.375	6.219	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409395289	LYOLTKYBRRAYHM-UHFFFAOYSA-N	652.918	7.804	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409395917	TZLBWOMVAPLAQC-UHFFFAOYSA-N	598.055	6.806	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)Nc1ccc(F)cc1	409404142	OWYHOKRNVKJGSS-CVUIAOGPSA-N	782.461	8.110	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)o2)cc1	409407003	YMJVSVYJWVLHEV-HQDYHJHZSA-N	563.610	6.338	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccccc1	1529546112	CYEBPUBLFIXZFF-YWWZPSMVSA-N	642.778	5.278	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccccc1F	1529548152	ASOBQFUOPHFAEP-JKYKOXDNSA-N	781.442	5.657	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O	1531387127	JONCJDYBGKZIKV-XWHNKCBYSA-N	550.958	6.126	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccccc1-c1ccccc1	842715	BLILJGSCMFRKRO-WJOKGBTCSA-N	563.654	6.221	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	1438102	DCFJMLJOYXLODS-VWLOTQADSA-N	519.026	5.948	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	1769419	LGYBDYRTNCZRLK-KOEQRZSOSA-N	522.626	7.025	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	2709694	MHXDLTWTZNKEHU-KKMKTNMSSA-N	562.280	5.641	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Br)cc1	3116506	LMJQHHXWRYVQQK-MZJWZYIUSA-N	531.790	5.250	50	40	KKGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3c(C)c(C(=O)c4ccc(F)cc4)n4ccccc34)cc2)c1	3253317	XFYKCTKBNZGLCO-HASSKWOGSA-N	561.657	7.393	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc([N+](=O)[O-])cc1)N2	6074204	ZWUPLBQPQDBPNV-YPOOPGCJSA-N	523.998	6.744	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2c[nH]c3ccccc23)n1-c1ccccc1	8396509	AGYZTHDPNWBXEH-QPNGYQPBSA-N	635.535	5.905	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccc(O)cc1	8986278	KGNPUFUNJRIXRG-JFLMPSFJSA-N	512.422	5.579	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	9375413	LPNVBABGYACKJY-XMMPIXPASA-N	506.534	5.264	50	40	KKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1C	12542989	NZVJUFGJHRFHSG-OEAKJJBVSA-N	501.583	5.027	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1)NCc1ccccc1	16479956	YJHPFWAEKJCPFJ-HNSNBQBZSA-N	521.642	5.335	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	59647413	ICJVLTMWTUKCGK-KKMKTNMSSA-N	538.225	5.873	50	40	KKGB	
O=C(c1ccc(Br)cc1)[C@](Br)(/C(O)=N/[C@H](Cl)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97982981	MAXQFUVRYLFHQO-XTEPFMGCSA-O	748.086	8.609	50	40	KKGB	
Clc1ccc(-c2nn(-c3ccccc3)cc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	97984668	ZYWWHHWFCZQGHC-UHFFFAOYSA-N	530.031	7.687	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(I)cc2)N1	97999781	TWZJAAVAHKZDOC-XMMPIXPASA-N	612.518	6.059	50	40	KKGB	
CCOc1ccc([C@@H](C)N(NC(=O)C(O)(c2ccc(OCC)cc2)c2ccc(OCC)cc2)C(=O)c2ccccc2)cc1	98003626	UBIDISCVOFAAPE-RUZDIDTESA-N	582.697	6.053	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccc(C)o1	98048694	HOSLHVFPKXBHFY-HHHXNRCGSA-N	528.634	5.612	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048762	GIAMWOFUWJFDPO-MUUNZHRXSA-N	540.645	5.416	50	40	KKGB	
C/C(=N\NC(=O)CNc1cc(Br)c(Br)cc1Br)c1ccc(Br)cc1	100036768	DLCBUUYZOFBQKJ-LSFURLLWSA-N	582.916	5.689	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1)S(=O)(=O)c1ccccc1	100104491	FQKPMQWREUUUIY-FDAWAROLSA-N	562.047	5.506	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OCC	100183460	VGSRGDBEPQQEMH-VTNSRFBWSA-N	598.043	5.892	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	100240103	CQRRAEDKFSLQKY-UZWMFBFFSA-N	590.771	5.869	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Cl)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100841371	SZLMMJBFKHWVCI-ZCTHSVRISA-N	548.112	6.526	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1Br	101485533	OKOZLKGCAIQGMS-VYYCAZPPSA-N	523.456	5.407	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2OC)=C(C)N1	102718169	HBXAETKALXMBGP-LJAQVGFWSA-N	573.118	6.618	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	102807211	XTPSVVXOSGQATM-DEOSSOPVSA-N	568.880	6.646	50	40	KKGB	
COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC)cc2)cc1	102916422	BPDKIEKWCSVVBW-YYSFZNAXSA-N	548.599	6.342	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1C	102933287	XMEFXYGIQIQGBI-VXLYETTFSA-N	599.381	5.737	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc2ccccc12	103841995	JFOBPASXIBTZNU-QQXSKIMKSA-N	550.058	7.218	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	103901657	NPYKVIPNWZFKOC-OGLMXYFKSA-N	534.465	5.518	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)c(C)c1	105436877	DLWODBBWBQGQGQ-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)CC[C@H](O)C[C@@H]2C[C@H]4O)cc1	118917112	OJNMMFFBVGCZFD-VUUQFCROSA-N	524.746	5.552	50	40	KKGB	
COc1ccc2nccc(C(=O)CC[C@@H]3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)C[C@@H]3[C@H](CBr)CCBr)c2c1	150378852	UQWTXUVZLPAUIV-DYRZZGSRSA-N	661.391	6.689	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	150385705	MRWRVHQCGRJZKU-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(O)c(I)c2)c(C(=O)OCC)c1C	150589640	OVEZIPNSWRGTLO-AWNIVKPZSA-N	679.270	5.044	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(C(C)C)cc2)cc1	211012146	PSVPOTPCLAQJBF-QXUDOOCXSA-N	590.145	6.696	50	40	KKGB	
C[P@](=O)(Cl)N[P@@]1(Cl)=N[P@@](Cl)(N[P@](C)(=O)Cl)=NP(Cl)(Cl)=N1	230085261	SBQOCTGVBJDWIO-KJWXAFIESA-N	501.707	8.096	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2OCC)ccc1OCc1ccccc1	408538420	MPSPSKGIRLDJQA-QQXSKIMKSA-N	617.529	8.494	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408538755	QGBZOIDNLQHNSK-LQKURTRISA-N	583.084	7.129	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)c(C(=O)OCC)c1C	408547429	WTWNPZGAFUZUHC-PXLXIMEGSA-N	572.658	6.579	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccccc1Cl	408551444	CTIZFMNTVJLZCZ-VCHYOVAHSA-N	582.907	7.048	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408676468	DCPVISRYIAMPOF-PSWKNJSVSA-N	586.202	5.240	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)cc3)c2C)cc1Br	408711593	AOYVAMRVEOEITJ-WYMPLXKRSA-N	536.211	5.534	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3cccc(C#N)c3)c(OCC)c2)cc1	408711648	CVJOIFUBUGVGJN-OCSSWDANSA-N	536.426	5.390	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC	408726058	OKSUZESFDMGCFS-ATVHPVEESA-N	518.351	5.199	50	40	KKGB	
Cc1ccc(OC/C(=N\NC(=O)N(C=C(Cl)Cl)C(C)(C)C)c2ccc(Br)cc2)cc1	408734392	PBUFLVSCWVOQHD-LGUFXXKBSA-N	513.263	6.627	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)c(I)c1	408742343	ABKLGQRBKSJQNW-UNOMPAQXSA-N	620.228	6.329	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408746296	RNQCQGJICSEJCD-KQWNVCNZSA-N	516.428	7.526	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc(I)cc3)cc2Br)ccc1I	408747780	SWHYWBSCTBWUOP-KKMKTNMSSA-N	721.127	6.018	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1	408749343	GBUDKNNSHZFRBY-KCSSXMTESA-N	518.972	5.453	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1	408784273	AHIMLKOJQZMDBQ-STBIYBPSSA-N	523.964	5.403	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1	408790499	WOPASKVQVUAPOR-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccccc1Cl	408790849	RLGBEXWOKCZJIP-LICLKQGHSA-N	532.740	6.208	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1	408792515	KLPYDINSAQTIQP-GZTJUZNOSA-N	530.191	6.475	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1C#N	408797821	STAHBFNHQVCEFM-SSDVNMTOSA-N	563.395	5.913	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1	408813985	GJBAAQSPCKEENN-NDENLUEZSA-N	556.254	6.023	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408817461	VSBFIXIUNMQYQW-CJLVFECKSA-N	527.418	7.044	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408819168	ZWDREPDICZNLLJ-NHDPSOOVSA-N	566.408	5.567	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2Br)cc1C	408828195	DFLGJPJNOFMSQG-AFUMVMLFSA-N	636.373	9.076	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(OC)cc1Cl	408828932	OFVAOMUKYZBUFT-RQZCQDPDSA-N	517.796	6.789	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408829867	XPLUEPROFHBTAI-UQQQWYQISA-N	608.547	6.552	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408834751	VEISNGMGYVIQFO-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(Cl)cc1	408836898	WURZQEITIGIEIQ-LFVJCYFKSA-N	559.449	7.706	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(I)cc1	408841636	FZSHRONOTYPMCT-IZYHBKOJSA-N	767.487	8.971	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1cccc2ccccc12	408845080	QIIWAPVJEWEUTJ-CHSHITCJSA-N	724.624	8.971	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(Br)cc1	408847259	UNAKYWQBOAQBLM-QNVXDBMFSA-N	773.878	8.926	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1	408848319	TYQJEIAFYNQLKJ-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccccc2)cc1	408848945	XIHZTIHUHXTPFC-MHDJOFBISA-N	677.920	7.461	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408863337	LZNOSPPKZGUCCS-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1	408864824	ZZRQGACDESKKAP-FABQOPTDSA-N	703.011	6.053	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(I)c1OCc1ccc(Cl)cc1	408865368	AMPUWBHSYNRIFA-VYYCAZPPSA-N	564.807	5.695	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2ccc(C)cc2)cc1	408876401	OILWCNCHJMZLDU-DNXOAJKNSA-N	630.792	5.319	50	40	KKGB	
Cc1cccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c1	408882139	LIZDDUQKZPLLDJ-BCHBDCPOSA-N	665.096	6.854	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408895015	LMNRWDYSTQEBGD-HNSNBQBZSA-N	567.439	7.137	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1cccc(Cl)c1	408953750	YASQJNAVNVIJDL-HHHXNRCGSA-N	844.897	6.013	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCc1cccc2ccccc12	408956519	QSYJRUJSQKGKFE-QECLSLCISA-N	662.743	5.876	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969234	JWCMYVXGPFTMTE-PLVGMKOESA-N	742.394	5.194	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408972301	QVDYREVJHIVUHJ-XJESCPFFSA-N	600.941	6.050	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3cccc(C)c3)cc2)c2ccccc2)cc1	408980040	PPNYJZUSDSEHHH-IMASQNRCSA-N	541.673	5.442	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1	408998337	PZJHNRONGRCRPA-KPGMTVGESA-N	611.279	6.991	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408999050	VZGOMMZSOVNNGP-HQDYHJHZSA-N	542.466	7.897	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1)c1ccccc1	409004998	YQDDHCPJLFMNBB-INOZVXBCSA-N	558.462	6.299	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12	409017593	SIUVRQJWHYBNPQ-VQBDTRDKSA-N	542.655	5.506	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409019220	WAIGSHYTUIBYDZ-NQDGKPANSA-N	686.549	6.811	50	40	KKGB	
COc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409032663	MEWQVYFTPDCXGF-VYYCAZPPSA-N	633.227	5.884	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409068883	JZVOKDSLWBHZJM-RIYZIHGNSA-N	575.779	6.979	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409071688	KYVHHSKWYOKKSU-XDHOZWIPSA-N	622.868	5.334	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409083079	NKLQZVWIUZFJLN-VCHYOVAHSA-N	628.379	6.461	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409140015	CJIQUFXSVGLSGK-VWLOTQADSA-N	540.035	5.449	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)COc2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1	409193692	KTQJHUQPGMPLSV-CCVNUDIWSA-N	571.446	5.860	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	409209624	HIJPWHWWXDCJDQ-LUOAPIJWSA-N	605.712	7.073	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)c1	409218353	IHDXXLAMRHTRRX-UHFFFAOYSA-N	635.312	6.755	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c2)cc1	409221855	BBMMQHKPQVNKQX-UHFFFAOYSA-N	641.305	7.000	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1ccccc1Cl	409223428	ZLWOQDMQNABEPO-KKMKTNMSSA-N	563.905	5.729	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1cccc(F)c1	409244818	JCKROYAESIDUQJ-BYINCCNUSA-N	509.375	5.960	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccccc1	409245996	CHTQIMNZDPXDTE-CTPANLQCSA-N	553.356	5.563	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)NCCCc1ccccc1	409249041	JAHRKQRJFXGBCW-IMRQLAEWSA-N	525.446	6.837	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2)cc1C	409250466	LYCLFHJEOWISOL-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(Br)c2)ccc1OCc1ccccc1	409255554	LZSMSBMSXOATJS-AEUUOICLSA-N	695.408	7.279	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409258889	WHWRRPMJQLRCFI-UUYOSTAYSA-N	562.464	6.255	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409266338	YDBPOQOKEBPHAV-KULFSUQXSA-N	752.034	7.910	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409268910	ZMXNKBZGROVLON-MUXKCCDJSA-N	516.381	5.182	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409272815	SNOYJRQNMVBVLN-VXLYETTFSA-N	649.407	6.499	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	409364755	PEJMJXPBDCYCKG-KVSWJAHQSA-N	628.692	5.857	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3OC)c2)ccc1OCc1ccccc1	409382371	KTQMAJUOMLRIDJ-UCMJSZAQSA-N	553.615	5.454	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OC)c1OCc1ccc(Cl)cc1	409387405	WNFUDBCGBBJSSO-WKULSOCRSA-N	536.009	6.543	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccccc1C#N	409389489	BKMZIAHSDDEGSJ-FBHDLOMBSA-N	524.333	6.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409392800	SADYMAUGFFBIPV-HIWRWHBISA-N	542.850	6.950	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(OC)ccc(Br)c2c1-c1ccccc1	409394957	IALUGOPCEFHORL-UHFFFAOYSA-N	790.690	8.776	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409397424	JSEXSAZWVSISLY-UHFFFAOYSA-N	606.893	8.177	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397875	OYPKWPYJMYRPOL-UHFFFAOYSA-N	586.475	7.832	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409398196	RRPHPMWXJJLQDY-UHFFFAOYSA-N	630.926	7.941	50	40	KKGB	
CCOC(=O)COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409400658	DXELUEFCCSYIIM-QJOVZPHJSA-N	608.695	6.379	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)N4CCOCC4)c(Br)c3)o2)cc1	409400991	FWJLEXFCJSNIDY-OHUYPAJKSA-N	635.515	5.030	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	1529547025	IFKUJGZFAMVAEA-HBPAGYSFSA-N	672.547	5.366	50	40	KKGB	
O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1	3201105	VFXNRVLRJQKJRF-GZZLJNBRSA-N	564.667	5.082	50	40	KKGB	
O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1	6147207	IOWNCXZHUVJBQS-DFKUXCBWSA-N	552.681	6.783	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N1CCCCC1	16804869	ILMMDTMBENHANT-NCELDCMTSA-N	523.036	6.691	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1	20170616	IVQDMZFUHKSCJC-QHCPKHFHSA-N	514.434	5.790	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N1	20170805	HPRSNICVXBVJDG-SANMLTNESA-N	513.619	5.708	50	40	KKGB	
CCC(C)(C)OOC(C)(C)C#CC(O)(C#CC(C)(C)OOC(C)(C)CC)C#CC(C)(C)OOC(C)(C)CC	97949704	WQQHABDVGJAJNK-UHFFFAOYSA-N	536.750	6.474	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OCc1ccccc1	97964218	VLYVPQUFEZDKRN-XCTFGQCESA-N	563.610	5.314	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965738	PVBCPPILZSLTAZ-VWRJOHBLSA-N	604.526	7.444	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	97965761	YQENCRAGTQZHEL-AATKOCIRSA-N	610.917	7.481	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C\c1ccc(Cl)cc1	97966334	PGVLYGRPDOFXMP-OLDOVDFUSA-N	645.975	7.237	50	40	KKGB	
O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	98045840	AGXQMJNXMNARHK-VFLNYLIXSA-N	637.334	6.033	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3sc4c(c3C#N)CCCC4)=C(C#N)[C@H]2c2ccccc2)cc1	98048587	KUTKGVVBZSPCAD-SSEXGKCCSA-N	637.787	6.382	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(C)cc2)cc1	100380104	WEPFKNIPEDHKFX-VTNSRFBWSA-N	615.608	6.777	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12	101080790	GZOVSWZAGAMNOH-JJFYIABZSA-N	504.981	5.942	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OCc1ccc(Cl)cc1Cl	102078749	DTUNASXZEVUVPG-GZTJUZNOSA-N	521.322	7.145	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	102139660	RIVOCWVLNAQVDC-OTNCWRBYSA-N	578.037	5.945	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C/c1ccc(F)cc1	102402170	SICFJJGSDYFXNZ-PNOYGBBQSA-N	629.520	6.723	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](Br)CBr	103527498	PXYDGESYUICOAX-REOHCLBHSA-N	505.894	5.884	50	40	KKGB	in-vitro
N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1	103741319	ZAVCPEPULSNMKX-AZJLSSPBSA-N	531.943	5.694	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	103883982	TWAYHMMDUNHEKI-HMAPJEAMSA-N	570.904	6.880	50	40	KKGB	
O=C(N[C@H](CSSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O)OCC1c2ccccc2-c2ccccc21	150352773	IRQYKZZFOSDZHP-MEKGRNQZSA-N	684.792	6.352	50	40	KKGB	
C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1	150485432	WEHADPSLZUZOFO-KIBHINBUSA-N	691.655	8.005	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCC(=O)N/N=C/c1c(O)ccc2ccccc12	150606067	VPSYEYCQAPJRMG-QNKHSMSSSA-N	663.562	7.053	50	40	KKGB	
O=C(CC(=O)c1cccc(NC(=O)C[C@@H](/C=C/C=C/CCCCCCCCCCCCCCCC[C@@H]2CC(=O)OC2=O)C(=O)O)c1)Nc1ccccc1	150628753	PHQNIGWHORASIQ-LTLZOZNMSA-N	728.927	9.371	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	216061447	RVPGGALMGVBTAE-CCVNUDIWSA-N	580.704	6.997	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553365	VMUMIRFWRZKFPL-LZYBPNLTSA-N	613.666	7.342	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1	408578928	BXADOAQLMOFXEA-VXLYETTFSA-N	501.193	7.302	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccccc1	408598857	KNBJYDJJJUTRFH-STBIYBPSSA-N	556.444	6.330	50	40	KKGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)cc1	408609832	LROJDEAWXSSNLE-VFLNYLIXSA-N	549.252	5.410	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccc(Br)cc1	408646311	ATYVECQSBQBFQL-KENYODAJSA-N	655.376	5.364	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408649028	XCPBFRQKOQGVJI-NGSHPTGOSA-N	781.679	6.484	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2-c2ccccc2)cc1	408740162	ACNUCFGSSKIMOF-SZXQPVLSSA-N	544.054	8.409	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccccc1	408744481	YCHRKKIVNQEJAC-PDGQHHTCSA-N	525.302	5.324	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)c1	408745822	PKCQDMAIGVJQOS-UNOMPAQXSA-N	511.803	6.626	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(OC)c2)c1	408746026	QHUWMRCBWZYEGX-OCKHKDLRSA-N	551.393	5.710	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747518	PBQPIYMZVIXYKE-SXGWCWSVSA-N	591.643	6.898	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747849	USNSRTJGRODNFJ-SXGWCWSVSA-N	810.993	7.388	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc2c(c1)OCO2	408761425	KBUOQTOWDQZCCD-JMIUGGIZSA-N	596.275	6.793	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1ccc(Cl)cc1	408770802	AUQVLDPONVBGFA-GATIEOLUSA-N	539.655	5.802	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408776383	NKMXDALVOXLZHV-YBEGLDIGSA-N	629.367	5.520	50	40	KKGB	
COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)sc2c1CCCC2	408787236	VMVFZFQILHBVOO-BOPFTXTBSA-N	528.461	6.674	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408787722	FJQKFRIIMIYMKG-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408788496	KKYBJTLGIUFYED-RGVLZGJSSA-N	507.804	7.925	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccccc1	408792131	IKIWKKJTGDENOO-VXLYETTFSA-N	558.803	6.386	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408793562	FJPYKDVHVWFFLM-MFKUBSTISA-N	628.479	7.460	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1	408794090	HLOHLJCHQOHHHH-PXLXIMEGSA-N	504.970	6.040	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408795992	NWSGLTKXLJBLCO-RQZCQDPDSA-N	536.242	7.824	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408797317	RHZYQWCWIOENJP-CAOOACKPSA-N	648.207	5.785	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408798119	ULNNKEJQSYYWIT-VCHYOVAHSA-N	531.823	7.179	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(I)cc1	408811522	LPKVOYVVBQWRKD-FDVSRXAVSA-N	615.265	6.871	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(Br)cc1	408814980	QWNBGICEHZDWJI-SGFZWYBVSA-N	648.601	8.685	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Cl)c2)c(OC)cc1Cl	408822405	BHZYABOUTCVXOY-CIAFOILYSA-N	547.438	7.597	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1	408829169	KYCORHWCALNWFF-ZCTHSVRISA-N	593.547	5.765	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408834143	TWPPGHOZVUAZMC-UFFVCSGVSA-N	662.784	9.666	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408834521	VGDKVCPMRMUOIJ-KPGMTVGESA-N	616.523	6.067	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1	408838627	YNFXMBXGKZCFJG-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408838792	IMCSSOJFKLJIRA-XICOUIIWSA-N	611.651	5.275	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(I)cc1	408848076	WVTGEIILPDNVCK-KVAAJVFYSA-N	694.982	8.163	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408849044	XUZIVYYDUUUKSI-VCHYOVAHSA-N	587.345	5.862	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408858176	NGQARAWBWWZCRY-KEIPNQJHSA-N	601.725	5.635	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408866711	ICGNTPSMNULFAQ-RDRPBHBLSA-N	588.524	5.291	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(Br)cc1	408888075	SHVSOWZSHIFNMK-OGLMXYFKSA-N	504.384	5.591	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccccc1Br	408888313	YXINJYBFUNPLTQ-WOJGMQOQSA-N	621.244	6.716	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccccc1C	408888747	AAQVQGPGMJDDHZ-RGVLZGJSSA-N	617.281	6.886	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC(=O)c3cccc4ccccc34)c2)c([N+](=O)[O-])c1	408893237	DEHIEYKYMYVLRZ-XSFVSMFZSA-N	523.501	5.530	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(Br)cc1	408903950	BQQSUJKMDUOFSL-PPDIBHTLSA-N	650.223	6.060	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OS(=O)(=O)c1ccc(OC)cc1	408922802	GPOMIDKVRGZIEE-NBVRZTHBSA-N	604.422	5.012	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(OC)c1	408940935	DKMRTMHXRJIVGY-PMERELPUSA-N	739.645	5.098	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Br)cc1	408947370	CGDJVPNZRZLVBM-XKZIYDEJSA-N	623.345	6.936	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1	408951539	URPJGPRSURLNOF-HHHXNRCGSA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c(OC)c1	408957720	VPGVLENNJZOTLN-ZBVWQCQISA-N	822.407	5.270	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969233	JWCMYVXGPFTMTE-MDFIKCDCSA-N	742.394	5.194	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1	408970661	JWLYKHCMXNEZDT-GNCKLDPMSA-N	713.456	7.379	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)cc1	408995931	FTWOFWKXTHMAQF-VTNSRFBWSA-N	635.312	6.755	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1	408999175	POMWJZMYDHGSKU-KMVFSOCUSA-N	597.499	6.260	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2I)cc1	409032907	DUFXLNDGYKBDHR-ODNPBWNPSA-N	734.388	7.789	50	40	KKGB	
O=C(O)COc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409036698	LLQOIXMNSQWKRC-QDTIIGTASA-N	538.785	5.545	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(C)cc1	409038111	DOJAJQFCIZJTNX-OJYCWLPVSA-N	641.509	7.556	50	40	KKGB	
COc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccc(Cl)cc4Cl)(c4ccccc43)[C@@H]2C1=O	409050211	SNTUWJYCTOXJGH-LSWWMUDKSA-N	596.470	5.969	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c(Cl)c1	409051075	IGOGZCJTZADHMS-LUOAPIJWSA-N	571.096	7.170	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	409059484	ROQIBESBZWTSPO-MUFRIFMGSA-N	546.476	5.208	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2Cl)Cc2c(F)cccc2Cl)cc1	409060911	AEBOEJPDILSWHS-KVSWJAHQSA-N	542.847	5.436	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409075612	SFPLYAUQXYEEGX-CJLVFECKSA-N	537.037	6.089	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409088970	HXPGVUHLOUBXBT-CXUHLZMHSA-N	623.325	6.873	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1)S(C)(=O)=O	409116912	MSIAFTFJHYWQNJ-VTNSRFBWSA-N	583.541	6.439	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1	409120753	SPZNETIXQYRFJG-APTWKGOFSA-N	596.068	7.053	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Br)cc1F	409162715	HFYBFJUQYHAIET-VPUKRXIYSA-N	612.239	5.010	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)cc2c1	409186834	IKMSYOTZCAYTPZ-QDTIIGTASA-N	664.250	6.450	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)c1ccco1	409189879	UMPIIJBKDYUXRC-AUEPDCJTSA-N	503.327	5.195	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccc(Cl)cc3)c2)c1	409219419	MIZRLJPGXJKHDJ-HBCFEJOTSA-N	554.002	5.984	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2cccc3ccccc23)ccc1OC(C)=O	409225676	QXMGOAGPMUBAJI-UHBFCERESA-N	516.937	5.410	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409243528	SDBBZHRAAHZYHK-PKIWBCANSA-N	521.976	5.680	50	40	KKGB	
Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)cc1	409252406	RSBUHKIUBOMHTI-UYRXBGFRSA-N	502.496	6.153	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1	409252775	SXDIURBVKSSMCG-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409255180	KTCMIFZCNSIESH-CXUHLZMHSA-N	534.321	6.575	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)ccc1OCc1ccccc1	409270968	SHNWPPNCTRQEGT-RODHXAHZSA-N	640.951	7.714	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1	409311240	DYNPIAXSJBNRHQ-WOJBJXKFSA-N	677.293	5.349	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Cl)c2)CC(=O)N1	409313094	BDQVWVWKHGGOFN-QGZVFWFLSA-N	548.890	5.693	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409315799	KQJBMNKJWKHNAK-YUMHPJSZSA-N	538.513	5.255	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394916	HKSUEPGTRWFINF-UHFFFAOYSA-N	617.843	7.142	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1	409395037	JCZNMNVXHWEUDI-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395520	OQCBFAKJRBRYKD-UHFFFAOYSA-N	812.083	9.254	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396485	SMKGCVKERMRNIT-UHFFFAOYSA-N	684.896	8.651	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397286	IIECQTZHVRBEEY-UHFFFAOYSA-N	607.022	6.470	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409398915	WLFFCGVMBMHRQP-UHFFFAOYSA-N	557.990	6.472	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3ccccc3F)o2)cc1	409402807	LCFXXMKXUXORGR-RODHXAHZSA-N	650.932	8.164	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc(Br)cc2)cc1Br	1529548096	XSGFHQJJRAFUCZ-MOEPSENCSA-N	746.478	5.684	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(OC)c1	1529548350	DKMRTMHXRJIVGY-PNPVWECISA-N	739.645	5.098	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(I)c1	1529548352	DMLAYKNEGNIHNF-NZDCISMZSA-N	835.515	5.694	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	939471	YRTYNZMGGTUENA-SFQUDFHCSA-N	524.827	6.955	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1	3144228	KXCLESAJFCJTMK-JFLMPSFJSA-N	504.439	5.462	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	3273992	NBDBPQCNGQKGCE-RDRPBHBLSA-N	565.493	5.202	50	40	KKGB	
COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2Cc2ccc(N(CCCl)CCCl)cc2)cc1OC	4830813	IAVPJTNCMJUFJZ-UHFFFAOYSA-N	570.537	6.085	50	40	KKGB	
C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1	8399016	WDHISYSQEJEPFX-OWKXQNKPSA-N	605.562	6.049	50	40	KKGB	
CC1(C)[C@@]2(C(=O)Nc3ncc(Cl)cc3Cl)CC[C@]1(C(Br)Br)[C@H]2Br	8440319	ZQBBBBJIVCDGIO-KMUNFCNLSA-N	549.916	6.013	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccncc3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	8448661	KKYDJVYFTKKPQF-QHCPKHFHSA-N	530.009	5.086	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1	9311223	PLFVQVOVDCJHDF-MFKUBSTISA-N	511.419	7.289	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc(I)cc1	10118483	SYCHWHJBOSBMDZ-LGJNPRDNSA-N	513.766	5.712	50	40	KKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccccc2)c1	32929290	YJAMWRPRYSYLHO-MBTHVWNTSA-N	509.400	5.629	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	34914238	CYWOOWDOCWQRHU-ZMFRSBBQSA-N	502.310	5.283	50	40	KKGB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=c1\cc(-c2ccccc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3	60045093	DBYWAKKUTOQNDY-HPLGPWMWSA-N	591.774	6.706	50	40	KKGB	
Br[C@@H](CC[C@H](Br)[C@H](Br)c1ccccc1)[C@@H](Br)c1ccccc1	68564404	DULGBCUTCPPZQP-XLAORIBOSA-N	553.958	7.566	50	40	KKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Br)[C@@H](Br)c2ccccc2)cc1/C=C\c1ccccc1	68564669	XSGGGUXVTDBRJI-POJYLLKHSA-N	532.188	7.246	50	40	KKGB	
CCCCc1ccc(/N=C(O)/C(C#N)=C2\S[C@@H](Cc3ccc(C(=O)OCC)cc3)C(=O)N2c2ccccc2)cc1	97968693	OFVAYDRHGRBURF-BUPOLARFSA-N	553.684	6.920	50	40	KKGB	
O=C1Nc2c(Br)cc(Br)cc2/C1=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12	97985341	GINAVVPEZGQYQO-UHFFFAOYSA-N	550.210	5.513	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2	98001659	GXHKXHYPCHHKQH-HIUVJMHLSA-N	689.538	6.105	50	40	KKGB	
O=C1OC(=O)[C@H]2[C@H]1[C@]1(c3ccc(Cl)cc3)C(=O)[C@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1	100179841	WNUANDQWZMRUQR-MKXVLRRNSA-N	551.425	6.692	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(OC)c(Br)c3)n2-c2ccc(C)cc2)cc1	100851947	CXQVCGHSMARDQU-MBTHVWNTSA-N	566.481	5.265	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)c3ccccc3n2)OC(N)=C(C#N)[C@@H]1c1ccccc1F	100986182	BHNLOBCCARXOCH-VWLOTQADSA-N	538.604	5.853	50	40	KKGB	
CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(=O)OCC)c1C	101055037	VZBXCTMPFCNWFT-RAXLEYEMSA-N	536.462	6.817	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1F	102719484	HVXFJOQIFPAHBS-NDEPHWFRSA-N	542.636	5.219	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	102808161	LTSYIYZDCTYIEK-AREMUKBSSA-N	547.080	6.565	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	102808738	YOSLJCBLVPTTEZ-SANMLTNESA-N	545.661	5.309	50	40	KKGB	
Cc1c(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1	103832797	NVMVPEMKNVQLHQ-WKULSOCRSA-N	576.893	5.487	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1c(Cl)cccc1Cl	104899272	YEGHVFYCNLHIOO-IPBVOBEMSA-N	541.218	5.977	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OCc1ccccc1Cl	109220776	OHUGHQCITKCLFH-JMIUGGIZSA-N	526.761	6.468	50	40	KKGB	
O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1OCc1cccc(Br)c1	150391606	ZVMHFSDIGISCIN-ALQBTCKLSA-N	627.568	6.463	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)SC1=S)NNC(=O)c1ccc(OCc2ccccc2)cc1	150453522	BAQHBSUMFULYCC-XQQUEIPISA-N	939.176	7.120	50	40	KKGB	
CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3c(Br)nc4c(OCc5ccccc5)nc(N)nc43)C[C@@H]2O[Si](C(C)C)(C(C)C)O1	195908433	JDXBCEWMDJONPM-RBZQAINGSA-N	678.777	6.994	50	40	KKGB	in-vitro
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2)cc1Br	408540033	MBONAXUONUZSJI-ONUIUJJFSA-N	524.297	6.644	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)Cc3cccc4ccccc34)cc2OC)ccc1OCc1ccccc1	408540527	SWFWEVUWHZNTKO-BIKKEBSBSA-N	609.122	7.751	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc2ccccc2c1	408549491	UKSVUASKCMNZJY-JJFYIABZSA-N	509.230	8.552	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1	408579224	DWQRKCGEAFESRH-RQZCQDPDSA-N	536.196	7.250	50	40	KKGB	
COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)ccc1OCc1ccccc1	408602588	CSTWHIDETAMFSJ-SANMLTNESA-N	523.618	5.298	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccc(I)cc1	408606824	QRPQXJRYFIYWGP-KGENOOAVSA-N	547.396	6.548	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3cc(Br)ccc3OCc3ccccc3Cl)CC2=O)cc1	408608131	OOCUXQZIPCUZAR-QGZVFWFLSA-N	544.833	5.186	50	40	KKGB	
O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1	408649705	DWWMQVSTADNUGF-XLRSJOCPSA-N	631.339	6.047	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1ccc(N2CCCC2)cc1	408676948	NYGKUKMASVWSFE-LQKURTRISA-N	543.380	5.373	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408711639	CLETZTWESYVVDQ-MBTHVWNTSA-N	623.285	5.733	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1cccc(Br)c1	408723354	SFHCRUJOGJLSCI-NSXLFHFSSA-N	610.895	6.069	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2-c2ccc(-c3ccccc3)cc2)cc1	408724148	GLEBNXDDEDESBX-AJBULDERSA-N	501.546	6.187	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1	408725081	DVEVYLFPTMSXST-LGJNPRDNSA-N	579.778	5.133	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408725803	KRZFVFXWQJLFGG-DHRITJCHSA-N	502.752	5.283	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3F)cc2Br)c1	408744875	HWMAEIGWIAEYBW-ODLFYWEKSA-N	525.374	6.120	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)ccc1I	408747989	WPLHMOURHQYORX-RPPGKUMJSA-N	583.195	5.544	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1	408789719	RPCDCKXDPNXWQU-GIJQJNRQSA-N	590.257	6.676	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408791601	ZHPQPJQZOAMPLC-ULJHMMPZSA-N	552.656	7.486	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408791985	GEOCCESTXRBQJW-YBFXNURJSA-N	710.160	7.118	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408797280	RCKDPKJRWYESPC-CAOOACKPSA-N	639.569	8.061	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc(Br)c1OCc1ccc(Br)cc1	408814691	RYSZLGZYZQQYFY-BFERYNQYSA-N	536.264	6.011	50	40	KKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC	408826340	JDSHQHYIOCJGIB-DEDYPNTBSA-N	511.405	6.915	50	40	KKGB	
CNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408826395	CBQYKPATNCBAHF-WJDWOHSUSA-N	538.840	5.284	50	40	KKGB	
COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408839090	MUKPNPRJGXILKI-IPPBACCNSA-N	579.476	5.940	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408840869	CPALALRIFCZCKC-VVEOGCPPSA-N	705.372	6.545	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408841017	IGGFVOIPCWHNEJ-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408842810	KZQDKHOKSYZUNX-KVSWJAHQSA-N	541.416	6.088	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408847707	UEZSYZNVIFPQSB-XAZZYMPDSA-N	567.885	8.538	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408848607	RHBYDXFZFCCNGG-RSEYIHLLSA-N	654.608	9.440	50	40	KKGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408861852	DUAVTTYIFVJUTK-QNKGDIEWSA-N	594.649	5.673	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1	408864626	XOVKTNBWNAYJDS-HWLOXFRGSA-N	654.789	5.682	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1Cc1ccccc1Cl	408865047	BHPHYCWFNHCGDH-RQZCQDPDSA-N	611.694	7.787	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408871154	YCCVOTYFLNLOER-RQZCQDPDSA-N	576.325	6.509	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	408875455	FTFSFSVZVXKGJD-FYJGNVAPSA-N	565.389	8.054	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1Cc1ccccc1F	408875982	IIXMHCBCKRKWKL-LICLKQGHSA-N	546.767	6.229	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408879467	DPDSIWRFZNBAAE-KKMKTNMSSA-N	566.677	6.525	50	40	KKGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1	408883918	SEYQLKFLIRVKAG-BJUCDSOZSA-N	643.549	5.692	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OC(=O)c1ccc(OC)cc1	408896001	OUEXHUUBSALJBF-MZJWZYIUSA-N	578.790	5.335	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1C	408922043	CVGQUDXGSSCAHV-VXLYETTFSA-N	569.355	5.641	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408923282	VNRCZLZYIVVVAJ-ZHSUKTGHSA-N	630.859	7.271	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OCc1ccccc1C	408926287	WTZLSXCIVPZMAO-YBFXNURJSA-N	568.367	5.431	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)c(Br)c1	408938791	AFAATHFVJAUCBO-MUUNZHRXSA-N	672.001	5.567	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	408945023	JZUJVZCEKCWNQW-NDEPHWFRSA-N	793.478	5.526	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(C#N)cc1	408945164	KIEKIRLVNPPTSN-MUUNZHRXSA-N	652.560	5.329	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(I)cc1	408947090	NQVTVVIIXCDXPG-WJOKGBTCSA-N	724.621	5.484	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccccc1C#N	408949536	IIDIQEHBXZDYDG-CFRMEGHHSA-N	616.459	5.888	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408969471	OCTNIYMTIGTTQW-KYQJZERDSA-N	585.326	5.769	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408991128	ZENAGZJDQMUSAU-IUXPMGMMSA-N	580.693	7.851	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1	408992422	RURBRJMGNBDQHE-WVWKGNOCSA-N	585.667	5.810	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1)c1ccccc1	409004646	XWFPIHPYNPRSGH-MIHYEXDHSA-N	544.435	5.909	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc2ccccc12	409015883	PGGKYAQAJUVCQT-PKMLLNATSA-N	500.426	5.595	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1cccc2ccccc12	409016089	CEGATQDJYFVFBH-FZPRHHONSA-N	570.443	6.267	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409024496	YYYHWOUVGXNOFW-HCNMGLPWSA-N	638.143	7.175	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccccc2OC)cc1	409028172	KTWAHYQQYGLXFM-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccccc1C#N	409033746	LMUFDGFQBWQUAG-QJOVZPHJSA-N	561.041	7.168	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(C)C)c(Br)c2)cc1	409044829	DOFGFADNCZVYKA-LZYBPNLTSA-N	536.220	5.579	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	409058011	RHAYAIVYVCHAGR-FJEPWZHXSA-N	596.920	5.561	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)c1C	409071791	PXMPQOGCQKZTBO-WOJGMQOQSA-N	501.391	5.924	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409075372	XPIXRTGQQLKWCN-XNTDXEJSSA-N	544.814	5.819	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409082038	RHJVFXTVSMMRCN-RIYZIHGNSA-N	509.818	5.403	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccccc1	409113345	AJSZFFWJYPVRLY-KVSWJAHQSA-N	568.320	6.727	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C2=C1CC(C)(C)CC2=O	409136958	VSQCXMONGFRBMD-DEOSSOPVSA-N	684.256	7.480	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccccc1Cl	409141555	ADLRDTPQBWMIBT-KBKYJPHKSA-N	615.649	5.764	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12)c1cccc2ccccc12	409178166	KXDLFYUVYMDFRC-GAQMAEIGSA-N	565.604	5.946	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl	409203052	UVRNRBBMJDTJBX-XODNFHPESA-N	615.320	6.818	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	409213658	QDPLPOUVOUWERV-MNDYBZJGSA-N	569.908	7.086	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc2ccccc2c1	409215665	DDSRAJDZEQGGSP-FJEPWZHXSA-N	569.908	7.086	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c(Br)c1O	409237114	JCHOFLUVWKOFSC-YHYXMXQVSA-N	520.099	5.490	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)cc1	409261038	AHSANGUICUFCPY-PPDIBHTLSA-N	624.127	6.064	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccccc3Cl)c(OCC)c2)cc1	409262852	KGOIZFJDTKQNFL-CPNJWEJPSA-N	645.881	6.305	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409272543	ZTMXZISXJWIFSB-APTWKGOFSA-N	561.667	6.644	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1OC	409310788	BVXOHKZNKZTDSO-WKIKZPBSSA-N	557.839	5.586	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	409316868	NMUFGEXCKSOFOT-MNDYBZJGSA-N	588.886	5.990	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Br)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409317963	SHYBNUBVGSPRHO-UXHICEINSA-N	535.847	5.172	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)ccc1OC	409318750	XXIPAHPTQVZNML-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)cc1OC	409324749	UXBIBMQBTOAAKE-FDVSRXAVSA-N	617.294	5.566	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N	409333065	BQQHGORBYNRLPY-DVCXRAJMSA-N	715.289	5.381	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nc2ccccc2n1Cc1ccccc1	409333558	KIYGXHRIYGWNPP-LFVJCYFKSA-N	533.462	8.459	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)cc1OCC	409336487	SWPXOLGTYNVFHT-CPDSRJINSA-N	653.755	6.444	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(Br)cc1	409372335	MPMNGIWYHWEBRC-OPEKNORGSA-N	706.072	5.909	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1cccc2ccccc12	409373414	RVGKTMLHNJWQIO-LQNQUEJISA-N	562.420	6.181	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)c1	409394472	AVNSZPJWDZDJLQ-UHFFFAOYSA-N	631.324	7.651	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409395829	SEOMGFFMGXQIDU-UHFFFAOYSA-N	643.450	6.506	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(F)cccc4c3-c3ccccc3)cc2OCC)cc1OCC	409396197	GAXWTSMHCOKGQP-UHFFFAOYSA-N	609.654	7.153	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396524	VHCWVKLOZSJNFP-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409396545	YYTFNZYMCZDPNG-UHFFFAOYSA-N	729.256	8.716	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)c1	409396994	DVAXCEHDKLXYFD-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397096	GCGDLCZWRBLNOG-UHFFFAOYSA-N	606.860	7.226	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc2c(c1)OCO2	409397443	JYBBVXRPFWNHLO-UHFFFAOYSA-N	553.574	6.700	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398514	UDGVLKLRIRZINN-UHFFFAOYSA-N	720.234	9.593	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398880	WATLOHNSBMIRMN-UHFFFAOYSA-N	548.555	6.043	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc([N+](=O)[O-])cc1	409400276	CLLIDHCLKYWHMV-UHFFFAOYSA-N	629.069	7.179	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1	409402777	KYNWFWDEMQHMGD-BJUCDSOZSA-N	626.582	6.042	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409404874	REPLIIOXWNXMKH-ACXHZZMFSA-N	641.462	5.577	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409405775	VFFDHMAXQYBGQI-GZOMZLSJSA-N	750.565	7.190	50	40	KKGB	
O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	885164255	ZMJHGSDVTFKGAD-UHFFFAOYSA-N	966.235	11.635	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	1529548276	ZRQPAOXIHJMMDG-RQQSEGDXSA-N	766.512	6.829	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccc(C)o1	876095	QNYPHENLENMMRS-SANMLTNESA-N	514.607	5.303	50	40	KKGB	
Cc1nnc(SCC(=O)N/N=C/c2cn(CCOc3ccc(C(C)(C)C)cc3)c3ccccc23)s1	1754358	XFIGTVFJJPAJEH-JFLMPSFJSA-N	507.685	5.420	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3c(Cl)cccc3Cl)cc2)sc(C)c1C	1785568	RRKFGPDWFDTVNB-SHCJNDJLSA-N	562.475	6.018	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)cc3)nnc2-c2ccc(Cl)cc2)cc1	1818061	AGNCIDRVSPFLPW-LQKURTRISA-N	522.030	5.237	50	40	KKGB	
CCCC(C)(C)OOC(C)(C)C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	2132167	MQGVLLQFFLTSOQ-PAISOCHASA-N	558.800	7.572	50	40	KKGB	
O=C(c1ccccc1OCc1ccccc1)[C@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1	3138093	YVYLOBHOFGAWEU-LEWJYISDSA-N	519.189	6.256	50	40	KKGB	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O	3256594	DFOUMMNGGLIBOB-DEDYPNTBSA-N	536.975	6.162	50	40	KKGB	
CC(C)CCCCCOC(=O)c1ccccc1SSc1ccccc1C(=O)OCCCCCC(C)C	4409129	YSHUAWNKIOSZNC-UHFFFAOYSA-N	530.796	9.232	50	40	KKGB	
COc1ccc(C(=O)C/C(=N\N(C(=O)c2ccc(OC)cc2)c2ccccc2)c2ccc(OC)cc2)cc1	5121199	XLPDYOYXIKASSU-UUDCSCGESA-N	508.574	6.037	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CC(C)(C)C3)cc1Cn1cc([N+](=O)[O-])cn1	8456004	WQBGFIZXEQNWOT-MHZLTWQESA-N	617.504	5.860	50	40	KKGB	
CCCOc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)Nc2ccc(C)cc2)N(c2ccc(C)c(C)c2)C1=O	13510724	UNEXMRLLOUIPOF-HHPODCHXSA-N	525.674	6.466	50	40	KKGB	
CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	16700675	BJMJXVDKFVENMF-RMNOPMHCSA-N	518.661	7.283	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1Cl	19951903	GQEWXGXGQMEKFV-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccc(C)cc2)cc1	20232284	AOAYWEOSMDLRLJ-UHFFFAOYSA-N	501.718	5.621	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(N2CCOCC2)cc1	33935857	WAMBUJHZQNBZOI-QNGOZBTKSA-N	505.416	5.239	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1	59224906	KSISNZDQIJKYKC-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	59886077	RDACLELZQJZVHG-WKULSOCRSA-N	588.833	5.857	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C(=O)[C@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C	68569397	RBYRHDBWVSOLNG-GIQNSQDQSA-N	597.587	5.650	50	40	KKGB	
O=[N+]([O-])c1ccc(OCCOCCOCCOc2ccc([N+](=O)[O-])cc2P(=O)(c2ccccc2)c2ccccc2)c(P(=O)(c2ccccc2)c2ccccc2)c1	95100991	FPWRRWCOSXUUCL-UHFFFAOYSA-N	792.718	6.273	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1cccs1	97950975	ASRUPDCBSOSUFN-SANMLTNESA-N	530.675	5.772	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(O)(c1ccccc1)c1ccccc1	97961015	YOXBHEGRHHMRFG-ZSBPYGRISA-N	582.103	7.851	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)c1	100100175	LNWVTTYOVXELJN-KPGMTVGESA-N	580.979	8.183	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3cccc(Br)c3)c2C)c1	100100659	QOABCIRWYUERTH-KKMKTNMSSA-N	563.359	6.619	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1Cl	100119451	ZWSXWPYOZMAPAY-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240897	YKLCUUAFQKRSST-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1[N+](=O)[O-]	100287354	VYRCOQSTCQCFNJ-FDAWAROLSA-N	593.061	5.725	50	40	KKGB	
N#C/C(=C\Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	100712783	RMHSRMJRIYCUHP-FMIVXFBMSA-N	518.860	6.473	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OCc4ccccc4)c3)nnc2-c2ccc(Cl)cc2)cc1	100851966	JPXJUPKPQWWDHJ-QXUDOOCXSA-N	598.128	6.808	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Br)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852065	XRVKMKOGZJOAGS-OCSSWDANSA-N	578.536	6.245	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)N1	102808577	JRQVMBMKQPAQSE-RUZDIDTESA-N	603.022	6.667	50	40	KKGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O)c1ccccc1OCc1ccc(Cl)cc1	102921604	QHBRSOZSEOHDIA-HXUWFJFHSA-N	552.336	5.158	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	103871329	AYRAKLDHPBIWKB-PPOKSSTKSA-N	579.498	7.531	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc(C)cc1	103898798	IIUQBOVLCOSIDN-KBVAKVRCSA-N	586.497	6.306	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	150392095	OHKOUHWCMLXSAN-YBFXNURJSA-N	679.252	6.491	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795396	UNBBRCDUBWSDON-OKILXGFUSA-N	686.194	9.670	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795445	SCLYFRLPUGODHK-IAGOWNOFSA-N	828.289	12.111	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408541256	FQCORYCICNDOST-UXHLAJHPSA-N	550.453	5.427	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(Cl)cc1	408541721	FLEZPOURADAVNR-GRSHGNNSSA-N	602.812	6.166	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)c(C(=O)OCC)c1C	408547000	QDLXFXSENRWXDQ-SFQUDFHCSA-N	511.983	6.042	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(I)cc1	408551339	CDLHCYFGAWDZJD-VCHYOVAHSA-N	674.358	6.999	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc2ccccc2c1	408553038	WAQZGQJEBBDLKZ-MWLSYYOVSA-N	581.453	8.639	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1	408607060	BOJKWOOXCWCNCW-RWPZCVJISA-N	500.382	5.450	50	40	KKGB	
C[C@H](C(=O)O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408647213	BIXFENVCQMHTDE-AUOZGEGESA-N	631.339	6.045	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccccc1	408741218	HOYLCVTXLUAQDT-XKZIYDEJSA-N	517.810	7.380	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Br)cc1	408747050	YMFNRNZHLRPUQB-JCMHNJIXSA-N	551.868	7.354	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCc1cccc(F)c1	408747805	UAKWJZOHAURAIL-MZJWZYIUSA-N	548.352	5.181	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408750604	PGFGZMRRCTVPBV-FDAWAROLSA-N	545.979	5.222	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(I)c1OCc1ccccc1	408753049	LAJJESRDFBDMOM-UDWIEESQSA-N	554.384	5.823	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1)Nc1cc(Cl)ccc1Cl	408764230	SLTIOGNEHDRMSE-RPPGKUMJSA-N	568.198	5.379	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	408768610	HTWYGCNZXNCSFI-VFCFBJKWSA-N	514.047	5.091	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1cc(Cl)cc(Cl)c1	408778280	CTYCBCPBCLVMJH-MZJWZYIUSA-N	500.407	5.216	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1cccc2ccccc12	408790081	NFNDSNLPNKMVIY-HZHRSRAPSA-N	557.444	7.134	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(I)cc1	408793279	DMJVFPUOLPKMGN-RQZCQDPDSA-N	623.672	6.840	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408793527	FQSDODYEQRZSPD-YBFXNURJSA-N	511.361	6.215	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	408828553	MZLTWKJXHCNAKT-CVKSISIWSA-N	688.405	9.621	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408829780	GCGDYVMZTUWTCM-OEAKJJBVSA-N	593.894	8.359	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)c(OC)cc1Cl	408830024	XWRMNLBWCGSVOM-RQZCQDPDSA-N	562.247	6.898	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408837152	ZHRVQNWANKRGJU-ZTKZIYFRSA-N	643.570	10.312	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1	408853530	UZMAASNICZQFEC-NVJOKUIPSA-N	576.672	7.263	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(F)cc1	408853951	UDYUZFLWTOPYOA-NVJOKUIPSA-N	576.216	6.448	50	40	KKGB	
C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408863162	PTWXLGPTRPOMDE-HNSNBQBZSA-N	526.061	6.936	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	408863543	SPWDOOCMFZPXFG-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408866606	HELJZENSTBAUSY-JNOBWZAGSA-N	520.265	6.067	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Br)cc1	408867036	IXKSUUBFUULEMX-VCHYOVAHSA-N	579.800	7.645	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cc(Cl)ccc2C)cc1	408878113	WOTQXIBTSDAKFA-FABQOPTDSA-N	639.561	5.973	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OC(=O)c1ccc(OC)cc1	408879466	GIHPYQZMLXQXLW-XODNFHPESA-N	613.235	5.988	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)c(Br)c1	408881654	LXOOKODZHNRCGO-LDADJPATSA-N	560.673	7.298	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(C)(=O)=O)cc1Cl	408882690	NMWXWULCLUUBMO-VFLNYLIXSA-N	645.359	5.268	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccccc2)c1	408883728	VTFLQQFYBMGVGP-HNSNBQBZSA-N	668.566	5.400	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2OC)cc1	408886134	IGGKMIZURXRBOU-KKMKTNMSSA-N	599.208	5.598	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OCc1ccc(Cl)cc1Cl	408887549	RNBFAXUWDMPARW-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(Br)cc1	408892231	YCOOZRGWVCGRBY-IIHBXENTSA-N	698.359	7.711	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)o2)cc1	408894668	IPBCDCIFHORZEO-SFQUDFHCSA-N	558.226	6.502	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1c(Cl)cccc1Cl	408924159	LQNUTLLYOCYCIZ-SFQUDFHCSA-N	502.195	6.881	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1	408935005	FBKGVNWLHHJZKA-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408936089	FJMBCVDMJQCCOX-ULPWCQAASA-N	619.241	5.887	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408937588	GXYNMAALAAZXDD-ULPWCQAASA-N	666.241	5.729	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1OCc1cccc2ccccc12	408945377	KOKCAQCRVGIHEZ-JGCGQSQUSA-N	608.720	5.304	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1C#N	408947520	NVEABCSFOMWHFE-NDEPHWFRSA-N	741.462	5.547	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I	408952322	NFKCUUFVQOSKMY-SXGWCWSVSA-N	611.221	5.042	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1	408958618	ZNJHBNZJORZLKB-XESRJCMYSA-N	778.600	5.761	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408961810	FHEWOXIQJIAMOK-KVSWJAHQSA-N	507.852	5.619	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408965181	UJBIFRZWZDQKKX-VVEOGCPPSA-N	612.342	5.750	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC	408970734	CTMGCOYZQQHPRX-FAAXFWDVSA-N	636.314	5.064	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(O)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993227	CWDNJEHRJDVPKA-NCAUGAEKSA-N	603.094	6.576	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)ccc1OCC(=O)Nc1ccccc1Cl	409004145	WSJGFQPBMKDMAR-PNOYGBBQSA-N	747.011	5.011	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Br)c1OCc1cccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409030286	CVKDIOAYFOOPKJ-HASSKWOGSA-N	620.934	8.814	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409036860	MHCALGVHJQDJDZ-CLHYIUPASA-N	665.385	8.923	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409037588	DCJJNIHGYSSIPF-QNVXDBMFSA-N	639.764	8.967	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409042682	XJQOUFLKJFWYIA-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409046227	JGRXZICSBITMGJ-XDHOZWIPSA-N	578.410	5.956	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1	409067644	QHEFUUXHHYNOHU-MHWRWJLKSA-N	553.659	6.697	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	409081728	QKWXXXSFISBJNL-RCCKNPSSSA-N	523.010	5.699	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1	409115064	IFHQVGJTHZINAE-XZYGTATASA-N	654.116	5.574	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OC	409131859	YONFZNAMYLKQBT-CCVNUDIWSA-N	594.915	5.082	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	409138327	ZYMFCEJUVMOMFE-VPUKRXIYSA-N	602.765	7.380	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409153167	LAEQGDYIMGMCBF-PNQUVVCRSA-N	622.303	5.488	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)C(C)C)o2)c(Br)c1	409154270	GKKRFJYHPYHXLZ-IQFHQVDXSA-N	500.368	5.061	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OCC)c2)cc1	409169193	ORMQRXJUPFPUKQ-FDAWAROLSA-N	567.042	5.024	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)cc1	409169436	QUGWACYHUBFAEN-IBBHUPRXSA-N	629.895	5.091	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl	409174657	WRAXAONLWFPZGX-VPUKRXIYSA-N	612.695	5.824	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409220420	ZBCFIZSZYSPDMR-FQASESCUSA-N	568.542	5.222	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409224047	IODQZMQZPYEZRA-KRKMQESQSA-N	654.632	5.264	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1	409230372	CISWLWGQECTQET-RWTUPJDWSA-N	541.445	6.974	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	409240650	HHHWNWIWGDHMQU-HAHDFKILSA-N	549.980	7.891	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409247935	IQWRXUCLVPQFHV-IZQLPPHKSA-N	518.395	5.133	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)c2)cc1	409254170	CZQMXTCWEKXDTL-APTWKGOFSA-N	561.667	6.644	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)ccc4OCC(=O)Nc4ccc(C)cc4C)cc3)cs2)cc1	409256586	MFGCRDAACOWJAC-VHFSBPNMSA-N	624.166	7.914	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1	409268358	ZERVZQJPZHQEIL-QGOAFFKASA-N	510.377	5.955	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)c1	409272017	XSJZLCNDFVXYMZ-ZMFRSBBQSA-N	545.231	5.301	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409313518	BYHNBBTWPLYGNH-VYYCAZPPSA-N	558.931	5.519	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OCC	409323488	OHSUXGTUFKIMPH-CAQPMQTCSA-N	657.505	5.743	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC	409337591	ZLYUULVWAMUMTJ-MUXKCCDJSA-N	531.378	5.347	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Br)cc1	409371762	NLBFUEPNFVIPKS-NVMNQCDNSA-N	591.199	6.614	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl	409373854	VGIORVWLLIXAIC-PPDIBHTLSA-N	567.223	5.945	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409376383	XTRPNORCQUPVNB-KVSWJAHQSA-N	537.241	5.906	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409384300	APZAHFFVHUEZIK-IPPBACCNSA-N	611.474	6.061	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409395018	IWUULIYBVBLPKV-UHFFFAOYSA-N	650.407	7.328	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cccc4c3-c3ccccc3Cl)cc2OC)c1	409397149	GWMFFMNQYBGUIE-UHFFFAOYSA-N	568.029	6.797	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397696	MXZIUNJDGFUKEL-UHFFFAOYSA-N	682.944	7.813	50	40	KKGB	
CCOC(=O)COc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409401890	INENUCGHDSWLOH-MJXLXAJKSA-N	672.960	6.787	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4cccc(F)c4)c([N+](=O)[O-])c3)o2)cc1	409405936	VKYDDPIYOPEBIE-AEUUOICLSA-N	625.613	6.095	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1	1790197	PZXGELVBTPGRRK-CKVBZJJFSA-N	540.389	5.792	50	40	KKGB	
CCOc1cccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1O	2334827	IOHOGSAACPYKCA-DHRITJCHSA-N	510.666	5.330	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1cccc(Br)c1	9041287	VVXWRJMVJFYJLW-HMAPJEAMSA-N	507.504	5.534	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C(Cc3ccccc3)Cc3ccccc3)cc2)cc1	12562026	FTRLNXYSHIDXFN-UHFFFAOYSA-N	527.646	5.457	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)cc1	14151827	DBVISAFJLPAFGI-XDHOZWIPSA-N	504.011	6.285	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(=O)OCCOC)=C(C)N1	20170927	BYGKDKGEIRFSNJ-VWLOTQADSA-N	526.058	5.160	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl	33958910	FMYLPCSHBMOTIE-LUOAPIJWSA-N	511.192	5.968	50	40	KKGB	
Clc1c(Cl)c(Cl)c(SSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl	45329241	LSVXAQMPXJUTBV-UHFFFAOYSA-N	562.796	11.020	50	40	KKGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	59436948	GARSWLCPZIEDAS-DHRITJCHSA-N	514.401	5.320	50	40	KKGB	
COc1ccc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N	97944463	AJAQKWMFKZGIDZ-ABFSMSEQSA-N	562.686	7.052	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	97960839	NNRJRHPEHVHVDB-STKMKYKTSA-N	534.457	7.267	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1OCCOc1ccc(C2CCCCC2)cc1	97967088	ANLGKWHKUVJOHX-PPOKSSTKSA-N	613.740	5.997	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)NNC(=O)C(=O)NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O	97997149	NTHPKCLPEFCHTQ-UHFFFAOYSA-N	638.850	5.148	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1C	100100162	INENYISTDCRMKS-KPGMTVGESA-N	580.979	8.183	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126294	SCUYXIVNOJIPAW-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)Oc1ccc([N+](=O)[O-])cc1	100141855	NBFFCBMTUDXVJE-GDLZYMKVSA-N	527.577	5.825	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)o2)cc1	100211303	NPIBLZAIHZUUFB-KBVAKVRCSA-N	600.480	5.776	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100239743	UMIUJNXNUKNMEP-FMFFXOCNSA-N	572.731	5.764	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100239964	NVBWHMOZQCOXPR-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343821	WXCPAYOFHCHCQY-FDAWAROLSA-N	609.546	5.519	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1	100400069	IXKPUHWYGPETFO-UHBFCERESA-N	585.469	5.066	50	40	KKGB	
CCOc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1O	100853210	IQXCFUOZIOXUFF-MNBJERMJSA-N	543.693	5.887	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccc2c(c1)OCO2	100935156	AAVHDAGBXWGPFM-XUXWAPCISA-N	576.008	5.035	50	40	KKGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1	101217367	MGHSURFIBTWGQV-HYARGMPZSA-N	547.405	5.318	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1cccs1	102404111	WYINAZUQQSQZGS-RUZDIDTESA-N	595.544	6.226	50	40	KKGB	
N#CC1=C(S)N[C@](O)(C23CC4CC(CC(C4)C2)C3)[C@@H]([n+]2ccc3ccccc3c2)[C@@H]1c1cccc(Br)c1	102889240	WILQYOYRSQXGCH-AOTYDDECSA-O	573.580	6.388	50	40	KKGB	
CC1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@@H]1[C@@H](Cl)[C@]1(Cl)C(=O)N(c2ccc(Cl)cc2Cl)N=C1C	103210648	LKVYETOLTJCHBV-UEXGIBASSA-N	567.087	6.647	50	40	KKGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1	103754415	SALLUDSDZDSAAM-KEIPNQJHSA-N	573.678	6.593	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	150385737	JDPNWBLBHGHLFV-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	150473875	KZAXBEYYPLBCMM-KCSSXMTESA-N	639.572	5.528	50	40	KKGB	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccccc2)cc1	195529151	ORRRQZAEMCGPHS-OCBARXQLSA-N	757.964	7.745	50	40	KKGB	
Cc1ccc(S[C@@H]2O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)cc1	255972852	FVWMHGKJMGETAM-RYWAYVEBSA-N	575.081	7.324	50	40	KKGB	
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NNC(=O)C(O)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C	299888598	PTVXYACXDYZNID-JKXGKYMWSA-N	624.866	8.240	50	40	KKGB	world
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)cc1	408539102	STHRZBNMVLZXJB-MYYYXRDXSA-N	629.507	7.179	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C(=O)OCC)c1C	408547383	VVYPEQXRVWCXSE-KGENOOAVSA-N	575.086	6.785	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCc1ccc(Br)cc1	408567872	PVISFDGCUHVJDD-JMIUGGIZSA-N	524.212	6.735	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCc1ccc(Br)cc1	408598605	FQMQQLKTULYIIG-NVMNQCDNSA-N	580.647	7.359	50	40	KKGB	
O=C(NNc1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408602547	DQGXPZWIFWYXTP-MRXNPFEDSA-N	549.252	5.831	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1OCc1ccc(Cl)c(Cl)c1	408607034	MVNXFASAXDRBBO-KVSWJAHQSA-N	520.800	5.632	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1	408720347	ZLUSEIIITDGAJF-CCVNUDIWSA-N	503.451	6.355	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(F)c3)c2-c2ccccc2)cc1	408739423	BTLNLEKLOITSTR-FADJLKOXSA-N	531.587	6.891	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408742267	QLVSDTMJRZLSAZ-XBQJKBNESA-N	521.620	7.737	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408747056	YPGMLNTWUUQASE-XYGWBWBKSA-N	506.993	6.744	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408752968	DRDAKFCFDVYEBC-JJIBRWJFSA-N	529.556	6.889	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1ccc(Br)cc1	408782323	FSUWMCRNZRBWBR-ULPWCQAASA-N	635.154	6.459	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	408785230	VBTYBLOLUGBODE-UHFFFAOYSA-N	538.541	6.966	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408787600	CKMOOQBARKAJQW-XCVCLJGOSA-N	596.002	5.370	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	408791731	BPKUJFJELUZJNO-PXLXIMEGSA-N	504.970	6.040	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1C#N	408793321	OKUOKCDPPPAYKY-FSJBWODESA-N	530.422	6.461	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccccc1Cl	408798752	WVNSRKSUGGZVPN-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408831739	HGHHBXNCIXYZHR-ATZGPIRCSA-N	630.550	5.996	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1	408832386	QJHOZDJPVOZQFM-LORYXUCWSA-N	628.965	7.415	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408838309	DIMOGWOEWUUFRP-MHDJOFBISA-N	633.469	7.352	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccc(Br)cc3/C=N/NC(=O)c3ccc(NC(=O)c4ccco4)cc3)sc2c1	408838484	FSHQHDLLJBZOON-VWJSQJICSA-N	636.911	7.454	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)cc1OCc1ccc(Br)cc1	408849953	BNOBFHWXMDCYSS-AAPHRLRXSA-N	659.253	6.809	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408858309	ODPLDRYQZYNIMC-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408860782	FAWFYJPAXVSVFQ-QXUDOOCXSA-N	666.594	6.089	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408863218	QGKNOCZFOOUAET-ALQBTCKLSA-N	666.594	6.008	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408871489	YKOBQMNRHSCEKA-DPNNOFEESA-N	597.568	6.617	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408872684	OFNVLJPOUFYEGJ-FMFFXOCNSA-N	587.698	5.901	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408874597	CHYJMZBGUIVLSH-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408877273	UCKNMSFUFFOZGZ-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408879649	CDCMWSFURDQUHT-XMEUFVCPSA-N	589.932	5.953	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1Cc1ccccc1F	408879733	CTQUWZWAOXJCFG-RQZCQDPDSA-N	503.788	7.321	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1-n1cccc1	408885962	BXOCBXDGUCHKSL-LQKURTRISA-N	508.803	6.236	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408887329	NQNOLSQSLKASLA-VULFUBBASA-N	528.359	5.108	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	408897164	WNMSFCHMQOKEIL-IZZDOVSWSA-N	519.020	6.463	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c2ccccc2)cc1	408922006	NWCDIBHLAFFEIS-PPOKSSTKSA-N	605.116	5.727	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(F)(F)F)cc2Br)cc1	408924836	OUEKPQKMPVWJBS-FOWTUZBSSA-N	581.366	5.790	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	408926238	WJKLOHGRGVORIV-LUOAPIJWSA-N	587.095	6.870	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1	408948848	PWRVJDSIXAYYEA-HHHXNRCGSA-N	844.897	6.013	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408948852	HCRIPAGRLXVBJU-NHDPSOOVSA-N	660.339	7.323	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)c(OC)c1	408952114	JXRFRGNQYRDDFB-QZXARWBLSA-N	666.731	5.546	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c2ccccc2)cc1	409003646	TYUROEIAENVNMW-YQFMXDQSSA-N	619.574	6.865	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1	409014066	LXJGUALFJXQGJF-GQDBTWMPSA-N	645.562	7.089	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1	409016810	JJQQVBZJPATYNK-NUJZUDFISA-N	571.802	5.601	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	409043939	BKKBIOUJPWVNQZ-LZYBPNLTSA-N	525.741	7.790	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)c1C	409065932	LAHQQTYEDCWMRH-LDADJPATSA-N	545.842	6.033	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)c1	409070316	ZXTVGYXMLQEEMX-GZTJUZNOSA-N	576.266	5.833	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccc2ccccc2c1	409089234	ZATKFTMJBZTDTE-UHBFCERESA-N	629.292	6.949	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl	409153931	JAETWNVQKFGYQF-WCMJOSRZSA-N	562.881	6.884	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C(O)(c1ccccc1)c1ccccc1	409185266	VGQYMADZOLJTSN-FDAWAROLSA-N	594.303	6.177	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409187765	BRRYWRNPPQHUTF-UVHMKAGCSA-N	531.790	5.542	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2cccc(Cl)c2)nnc1-c1cccc(Cl)c1	409189787	SSACAIPRVYAJJG-MZJWZYIUSA-N	541.420	6.095	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)NC1CCCC1	409190818	WNEIMXUJLIJIOQ-SXGWCWSVSA-N	616.212	5.580	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC	409224124	KRKYUEZMOWDFGP-FZPRHHONSA-N	677.464	5.619	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)n1	409234233	JHNWQIQZEBYGJP-OPEKNORGSA-N	519.852	5.331	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409254738	IMSMHZNLCINWGU-YZBCQSPHSA-N	590.518	5.967	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2C)cc1	409257477	PKKUYVZGVFVXBW-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)c1	409258755	VWCZJZXUZOJNKE-ODLFYWEKSA-N	538.829	6.283	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccc(F)cc1	409309393	GMQYZFDXVSQWGL-HYARGMPZSA-N	502.383	7.783	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)ccc1OC	409313529	BYZMBGGJNLTHER-QDTIIGTASA-N	596.703	6.615	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1OCC	409315232	UROGZYLWIBBMNA-MNDYBZJGSA-N	606.286	6.657	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(F)c2)ccc1OC	409317648	QXTKAZYYEUOXOB-VYYCAZPPSA-N	501.352	5.338	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)ccc1OC	409321362	GDDKDAOPCSLLCJ-MWLSYYOVSA-N	588.442	5.749	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OC	409322807	XYOWDWITPFNHKW-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccccc1	409331550	GDFVWMITKFWZND-MZFJOGFUSA-N	515.009	6.661	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)ccc1OCc1ccccc1	409335442	XBCISPVPGCGIAU-KMUKQRDJSA-N	577.052	7.198	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCc1cccc2ccccc12	409367770	FWQUQDNLBQLSSC-XKZIYDEJSA-N	643.262	7.701	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3F)cc2)ccc1OCc1ccccc1	409382993	SMGUWGAMVCVJPS-APTWKGOFSA-N	541.579	5.585	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	409386735	RRWSITLJISRFJV-WCMJOSRZSA-N	559.047	7.213	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3)c2c1	409394822	GKCCPBCAQJWAKG-UHFFFAOYSA-N	751.428	7.768	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409394943	HXESZBCFIYZECP-UHFFFAOYSA-N	518.529	6.035	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409395255	LOZUIVICFATKSF-UHFFFAOYSA-N	667.343	7.905	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)cc1OCC	409395536	OVXLUTVGRCOYLK-UHFFFAOYSA-N	818.744	9.556	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397349	IXXWWMICUZVCMO-UHFFFAOYSA-N	557.990	6.472	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1	409397541	LATJZXGXUNZBRQ-UHFFFAOYSA-N	649.872	7.085	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397701	NADDXONLUSWDSH-UHFFFAOYSA-N	568.973	6.388	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)c(Cl)c5)cc4)c3C)o2)cc1	409399941	AJHTTZXEDUYJTR-WBFBQHAKSA-N	681.620	9.323	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)o2)cc1	409400479	DJTIAXLIGGHQPB-KWQVAVEISA-N	634.136	7.585	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)Nc1ccc(C)cc1	409400786	FLJGOYNBEWSMFX-FRKGHFGRSA-N	720.020	7.780	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3cccc4ccccc34)o2)cc1	409400983	FVNRVGMRUGFWBP-DBSPGSINSA-N	614.658	7.670	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409402622	KHOPHNNRKGCLMN-FZPRHHONSA-N	638.515	6.133	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1cccc(F)c1	409406996	YLEZBDPPORNZGS-WBIBEUCMSA-N	597.643	6.765	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	1529547573	MKEIDEHJCVQJEQ-TXFJQYODSA-N	687.616	6.066	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OCC)c1	1529548583	JKHYSAPTMLHZIQ-RNMNIPMUSA-N	760.505	6.074	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(OCC)c1	1529549430	YTVBLGHJWKJLFF-IZQZZFRNSA-N	763.054	5.807	50	40	KKGB	
CC(C)(C)[C@H]1CC=C2C(C#N)=C(NC(=O)Nc3ccc(Cl)cc3)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1	1437104	NYZNEOZCCYZRFQ-LNXUECGXSA-N	544.486	7.722	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccc(Cl)cc1Cl	2213379	HIRAQXSREWLBQV-XODNFHPESA-N	543.501	5.875	50	40	KKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CCCC2	2335789	UFGPNYCFKQVNJX-OBGWFSINSA-N	542.579	7.408	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ncc(Cc4cccc5ccccc45)s3)o2)cc1	2670920	ZMQBGZAVDREILF-LFVJCYFKSA-N	533.609	6.869	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O	2703012	VUSPUARIBXXLTJ-LGJNPRDNSA-N	587.297	5.407	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1	2888340	CCOWGSVXXGLQRJ-YDYXIROLSA-N	508.430	5.736	50	40	KKGB	
C=CCCCCCCCC/C=N\NC(=O)CCSCCC(=O)N/N=C\CCCCCCCCC=C	4742263	ANDDBZHQWUWNMW-HONQWNAWSA-N	506.801	7.317	50	40	KKGB	
CCOC(=O)c1ccc(N[C@H](c2ccc(N(CCCl)CCCl)cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1	5389768	WNEXBFBVGICCHY-HKBQPEDESA-N	627.505	8.609	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1c(Cl)cccc1Cl	5948578	BCJAENRXNXVXHA-OCSSWDANSA-N	508.405	6.526	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1OC	19849167	RPXBTXBAQIUVAX-RHANQZHGSA-N	509.031	5.388	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)c1C	20233216	XBCGJTQGQJYZOK-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)NC(C)=C1C(=O)Nc1ccccc1	33354345	CCODTNBAUPUCRF-MUUNZHRXSA-N	603.542	6.554	50	40	KKGB	
COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	59857287	WSQOIFGGVAGZNK-UHFFFAOYSA-N	574.700	5.584	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3C[C@@H](Br)[C@@]2(Br)C1	85907028	ZKUCDSCKSARUCE-AFEZTXLSSA-N	826.968	15.850	50	40	KKGB	biogenic
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1	97960873	FQSSEGNAADNTCZ-JBFMKSPFSA-N	577.684	8.163	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc(Br)c1OCC(N)=O	97965620	HDVJMZFZIXGRDB-XAZZYMPDSA-N	581.854	5.344	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	100925297	ZPNWKTIRAOCRJC-NNHPPCHPSA-N	536.484	6.087	50	40	KKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC	100987650	AFZKTUJJBQYSNN-YBFXNURJSA-N	564.029	7.529	50	40	KKGB	
Cc1cnn([C@H](CCl)CN(Cc2cccc(C(=O)N3CCCCC3)c2)Cc2cccc(C(=O)N3CCCCC3)c2)c1	101164249	YUPUWUXXOCZEJR-WJOKGBTCSA-N	576.185	5.926	50	40	KKGB	
CCOC(=O)C(CC12C[C@H]3C[C@@H](CC1(C)C3)C2)(CC12C[C@@H]3C[C@H](CC1(CBr)C3)C2)C(=O)OCC	101219420	ZCNRWLAUYHYCSK-YUWHECDOSA-N	535.563	6.687	50	40	KKGB	
O=C1OC(=O)[C@H]2[C@H]1[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1	101358241	WNUANDQWZMRUQR-JMJJJEBOSA-N	551.425	6.692	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C)o2)C(C#N)=C(SCC(=O)Nc2ccc3c(c2)OCO3)N1	102208687	NPSVHUHRJVXLJL-HHHXNRCGSA-N	542.617	5.332	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1O	102933523	DONWTTKYPDKEMV-PXNMLYILSA-N	573.197	5.950	50	40	KKGB	
Cc1ccc(N=P(NN2C=NCN=C2)(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1C	102940036	CQJHENCWBXALRW-UHFFFAOYSA-N	559.246	6.061	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccc(Br)cc2)cc1	103901986	FNUDRAUNQFIPHD-LGJNPRDNSA-N	555.281	5.410	50	40	KKGB	
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)Cl)[C@@H]2C[C@@H]1[C@@]1(Br)C(=O)OC(=O)[C@]31Br	103976398	BDCGTXWFWOHPRU-QSGUDKAXSA-N	576.753	5.928	50	40	KKGB	
C=CCc1cccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3)CCCN2Cc2ccc(N(CCCl)CCCl)cc2)c1O	150373953	ZCYNSCXUYNGXEU-UHFFFAOYSA-N	678.576	8.095	50	40	KKGB	
O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1	229819659	GFJVJSHWBFFEOY-MFMCTBQISA-N	594.675	5.746	50	40	KKGB	biogenic
CCCCCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408538424	MRBRUNRIYHWUSZ-BIZUNTBRSA-N	563.123	7.939	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	408580933	SMKHOVJEIPPKIP-LICLKQGHSA-N	532.221	6.846	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408598478	BGLRZVKNCLEBSH-VVEOGCPPSA-N	707.177	7.843	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Br)cc1	408608313	PAKQSUJGKJGHDZ-UVHMKAGCSA-N	530.806	5.087	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408612980	YBEGMHIKLBBGNC-UVHMKAGCSA-N	514.807	5.387	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408676431	IRNSDMXIBSTFKZ-HNSNBQBZSA-N	552.502	7.064	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1c(-c2cnc3ccccc3c2C(=O)Oc2ccc([N+](=O)[O-])cc2)cnc2ccccc12	408720538	UBAYLAOYRKZSCI-UHFFFAOYSA-N	586.516	6.705	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)cc1	408745192	PZGPKRCDFLAZNT-MTJSOVHGSA-N	579.394	5.695	50	40	KKGB	
N#C/C(=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408758287	IIBBAPJEJWKHCU-PTNGSMBKSA-N	518.334	5.215	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccccc1	408767424	XKCJTVOENUQZSZ-ZDLGFXPLSA-N	542.227	6.345	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408788523	KQSAIVIYFCEFPM-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408788877	GDFLIJOMUNONSS-GIJQJNRQSA-N	637.257	6.820	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c1C	408790789	YTGKIQUHPWOXED-VXLYETTFSA-N	619.151	7.716	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc2ccccc2c1	408792346	AWKOYQUPTLQGKP-CVKSISIWSA-N	555.472	7.743	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I	408794390	IENYXWYZTSJHON-NTUHNPAUSA-N	589.611	5.195	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1cccc(C)c1	408798794	XHRYSUZPVFQKSP-UDWIEESQSA-N	554.384	5.829	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1	408824927	BYJFPDLHCUWKDB-ALQBTCKLSA-N	635.142	5.329	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408828248	JHXGTALCSCRXFT-KEIPNQJHSA-N	604.128	6.381	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408832498	XCSLCHWDYMVVKN-JEPNHJGPSA-N	618.542	7.071	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OC(C)C)c(OC)c2)c(OC)cc1Cl	408833710	SIUPFMWFVQMROB-MKMNVTDBSA-N	556.784	5.303	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408837371	DJFAFVNXRLTWHV-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	408838004	BJVQLTOTVPKOMN-FJEPWZHXSA-N	535.456	6.945	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccccc1C#N	408838564	GECFEEXBYJSPEA-MWBNBJEGSA-N	594.096	7.430	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc(Br)cc5)c(Br)c4)cc3)cs2)cc1	408838780	IIIJCFILFWWKRD-QNVXDBMFSA-N	755.330	9.493	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)sc2c1CCCC2	408844096	BWHYRSHWFLTNOM-AQTBWJFISA-N	542.488	7.064	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408844294	NFIWRVXMEPOAOZ-JEPNHJGPSA-N	627.650	5.355	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408849069	XZMLUYRDZFJDII-ZMFRSBBQSA-N	524.327	5.455	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1	408850773	QWYHSROVUVIVLP-ZXSNDDASSA-N	564.483	7.558	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408856507	CFHHKJKZSBLVIG-VUTHCHCSSA-N	505.640	5.029	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(C)cc2)cc1	408864302	VIKQKQZRLMEVFK-FADJLKOXSA-N	609.773	6.795	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408878710	ALCLMBWFTXIEDN-RQZCQDPDSA-N	634.224	6.095	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(I)c1	408886327	GEZODOQHPQGZIZ-LICLKQGHSA-N	549.195	6.723	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	408890004	MLAWDHLIJPEOMN-GZTJUZNOSA-N	552.337	5.139	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408894734	JBGZICBJAVLSHT-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(I)c1	408894854	JISQDECMBPPGOM-XNTDXEJSSA-N	556.272	5.446	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OCC)c1OCc1ccccc1C#N	408904621	MHQMCMCOOIRRSZ-LJUMEUDFSA-N	547.453	6.491	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OCc1ccccc1C	408923763	JSUYVAJNEBVFAD-VXLYETTFSA-N	617.827	6.685	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])cc(I)c2O)cc1	408937582	GXDJJNWLWTWOCU-DICXZTSXSA-N	566.355	5.435	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(OC)c1	408957021	SCQFXPKRCHKKDU-QVTHKRDASA-N	799.300	6.826	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1	408963909	PYYSXZSRCTWLPX-KKMKTNMSSA-N	514.321	5.999	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc(Cl)cc1	408966147	KDEDMAKXGUWGJV-KVSWJAHQSA-N	516.754	5.465	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C#N	408995961	GACRTTVKIDQVIA-VWDPFFEDSA-N	578.389	5.126	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	408997193	CJNBTMRKDJYDIW-VBMPCKAESA-N	719.374	5.930	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408998072	JWLBSTPYSLYJQJ-PIMODXEOSA-N	595.527	6.557	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1	409000813	YNKWJVQYDLKBEA-ZLZXEHKWSA-N	530.024	6.400	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(I)c1OCc1ccc(Cl)cc1Cl	409015526	NTUWTDIQSOSDOX-AAPHRLRXSA-N	636.273	6.263	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCc1ccccc1Cl	409023847	KIPAUCFOMDPJCG-OHUYPAJKSA-N	530.024	6.124	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Br)c1OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12	409034388	HLTPHGRTBHVVND-KVAAJVFYSA-N	649.770	8.423	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)c1	409046129	ITPANSWVAJMZHF-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
N#Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc(Cl)cc4)(c4ccccc43)[C@@H]2C1=O	409141513	KCBOOJAXXFPXSR-FJSCFOPMSA-N	571.036	5.107	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc(F)c4)c(I)c3)cc2c1	409187535	RPITYGAJJPPTCS-DBFSUHOCSA-N	637.243	6.681	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1ccc(Br)cc1	409219551	RTURBKNMEWIFDW-UHFFFAOYSA-N	662.493	5.719	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409234763	MGSJUCAISHWLNO-CVHFWEDTSA-N	595.437	5.410	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)c1C	409251860	ABFCBJNLTVLEKM-UDWIEESQSA-N	506.356	6.056	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409252373	DJYILZOTMNOOCZ-XODNFHPESA-N	700.271	5.344	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OCC	409315806	WZABMFRKLAPMAR-RHANQZHGSA-N	507.974	5.085	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)NC(=O)[C@H]2C(=O)OC)cc1Cl	409317276	OPMDERDNGFHXOJ-PMACEKPBSA-N	681.314	6.283	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	409331988	JALSMUQMQWONEJ-HQDYHJHZSA-N	670.931	7.274	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1	409364357	PFJZOQYMLKFQHK-PDGQHHTCSA-N	508.347	5.460	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	409366580	WPDKZORHBABSPQ-QDTIIGTASA-N	520.254	6.645	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)cc1	409366801	YNYRBSUNBIGBDX-JFLMPSFJSA-N	507.375	5.295	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc2ccccc2c1	409371727	GURRJNBXFHJBBV-MWLSYYOVSA-N	595.393	5.633	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409371948	MYMCBDAESYGZJW-ODLFYWEKSA-N	652.226	6.846	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1ccc(I)cc1	409373585	QXAWOLHWAYUFCG-WCMJOSRZSA-N	659.318	6.957	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)[nH]c2c1	409374645	VRGIKSMNAZSARN-IUXPMGMMSA-N	541.218	7.179	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1F	409376114	UPWQATBBEMIPHG-MHWRWJLKSA-N	514.340	5.704	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(C)cc1	409402414	KCMUGDHWHSZQPJ-CLHYIUPASA-N	665.703	6.663	50	40	KKGB	
CCOC(=O)[C@H](C)n1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409404227	PMCJCODGYNUQEI-ZLXBOJCZSA-N	552.631	6.109	50	40	KKGB	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)[C@H](CCl)C(O)(O)C(=O)CCCCCCC/C=C\C/C=C\CCCCC	888085269	YLHLZFURFIUYDZ-RAGRAMEASA-N	635.414	11.288	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12	1529548766	NQPDPEIGMGGRPT-ODZZBMNLSA-N	677.610	6.611	50	40	KKGB	
CN1c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c1cccc2P(c1ccccc1)c1ccccc1	1857794406	ZSMBZKLJHYJBFX-UHFFFAOYSA-N	565.593	7.077	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196240	KBJXVXCKHGWTKB-CAOOACKPSA-N	507.186	7.547	50	40	KKGB	
N#CC1=C(NN(c2ccccc2)c2ccccc2)N=P(c2ccccc2)(c2ccccc2)N=C1C(Cl)(Cl)Cl	8386836	KEYDJNYUBBETDP-UHFFFAOYSA-N	576.855	7.656	50	40	KKGB	
COc1cc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)ccc1OCc1ccccc1	9693532	CBORAHSMEMDMLM-HSZRJFAPSA-N	501.583	5.633	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(C)cc1	13943703	KKDGXZJKZDZPHA-UZWMFBFFSA-N	508.574	5.809	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)[C@H](Cc2ccccc2C)c2ccccc2)cc1	16157911	QMMKMAVMENQWDK-ONWFOFBKSA-N	512.631	5.548	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=C2CCCCCC2)cc1)S(=O)(=O)c1ccccc1	20232359	CUUDXKUXPIVESK-UHFFFAOYSA-N	524.086	6.484	50	40	KKGB	
Cc1nc(SCC2=C(C(=O)OC(C)C)[C@@H](c3ccccc3Br)C(C#N)=C(N)O2)c(C#N)c(C)c1C	33354353	RGEGNGIRVQJOCC-QFIPXVFZSA-N	553.482	5.447	50	40	KKGB	
C[C@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(Oc5ccc(F)cc5)c([N+](=O)[O-])c4)nc(O)c23)C1	33647800	JMYRAUDIELEYPQ-HNDQUVLASA-N	502.527	6.425	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	59281374	ANKDOOLQEMMMOU-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Br)cc1	59304953	AUVBSJGWUZRAII-BRJLIKDPSA-N	515.205	6.129	50	40	KKGB	
COC(=O)c1ccc(/N=N/c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1	95597930	TVQCFGFZFJVLNW-JEIPZWNWSA-N	501.546	6.508	50	40	KKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1c(Br)cc(Br)c(O)c1Br	97965299	DRDJUGBWWNFLHU-PGGKNCGUSA-N	556.052	5.395	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(I)cc2)N1	97999660	PMLMDDZKKVJTQQ-VWLOTQADSA-N	626.545	6.368	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048780	KCYFCADKRAGVKQ-SANMLTNESA-N	595.508	6.414	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1ccccc1-n1cccc1P(=O)(c1ccccc1)c1ccccc1	98174920	KZOCMRPNMNYENH-UHFFFAOYSA-N	543.543	5.756	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1C	100119141	CWWSTZLEVZGBQM-FDAWAROLSA-N	549.096	5.786	50	40	KKGB	
N#C/C(=C\Nc1ccc(Cl)cc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	100394495	KEIURNDKERNHRI-FMIVXFBMSA-N	519.207	6.962	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1	100842839	VLXGCKUZSRIJRG-NLTRVXJZSA-N	532.021	5.582	50	40	KKGB	
N#C/C(C(=O)Nc1cccc2ccccc12)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	100847638	WBXKWOYQUXEBFR-HVCOVSINSA-N	544.463	7.212	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccc(OC)c3)nnc2-c2ccc(Cl)cc2)cc1	100899379	YCAKVHJTUYAFDH-MIXAMLLLSA-N	536.057	5.628	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccccc3F)nc12	100906583	BRYVHMZDIHKITE-QGOAFFKASA-N	540.370	5.035	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1	100991333	SEJLFMRMTZWUQP-JSIHEXFSSA-N	528.848	6.712	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNC(=O)CSc1nc2ccccc2o1	101007369	MPAJUZRYEFYZBI-ZHZULCJRSA-N	575.137	5.183	50	40	KKGB	
COc1ccc(CCN/C(N)=C(C#N)\C=C2/C(=O)N(c3c(Cl)cccc3Cl)c3ccccc32)cc1OC	101112784	AIRJHXTXYIVGSD-MFPUVYTESA-N	535.431	5.598	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1ccccc1Cl	102807736	VGVLMJJRJHASMI-RUZDIDTESA-N	575.046	6.016	50	40	KKGB	
CCOc1ccc(N2C(=O)c3ccc(C(=O)NNC(=O)c4ccc(COc5cc(C)ccc5C(C)C)cc4)cc3C2=O)cc1	103042203	ZDRBKQOMKCCUHH-UHFFFAOYSA-N	591.664	5.972	50	40	KKGB	
CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528250	QDVBAFVKMITTAX-NSHDSACASA-N	500.227	7.789	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889311	QFLLWXDGZLFAOA-YBEGLDIGSA-N	536.640	7.534	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccc(C)cc1	103898381	AKPIXIOQAHNVFM-BIZUNTBRSA-N	562.667	5.286	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)c1	105436785	WUDOKDKBFJAXRX-PPOKSSTKSA-N	563.679	6.073	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc(C#N)c1	110363932	LYZQWLXBRAAOBI-OCKHKDLRSA-N	539.183	6.635	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	150433495	BMBZMTPWSQEVLZ-KCSSXMTESA-N	643.991	6.254	50	40	KKGB	
CC(C)(CN1CCCCC1)C(/C=C\c1ccc(Cl)c(Cl)c1)=N/NC(=O)N/N=C(\C=C/c1ccc(Cl)c(Cl)c1)C(C)(C)CN1CCCCC1	150443478	AOKCOMHWNQKAIN-USNHOXTOSA-N	734.644	10.062	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)CCCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	150476461	XVCLCVIGELIOOK-UJYBCWHMSA-N	639.610	5.688	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(I)cc1	164741838	YLOFORWGSCRAHT-SXGWCWSVSA-N	705.117	7.336	50	40	KKGB	
c1ccc(Cc2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1	207045580	CGZIZODOPAQZLT-UHFFFAOYSA-N	528.635	9.009	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C	253499359	FOKBFEZNNMIQGR-CRRVAMEZSA-N	505.227	9.491	50	40	KKGB	biogenic
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCc1cccc2ccccc12	408535053	XKRWBEKIYAFFNI-XKZIYDEJSA-N	596.262	7.859	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538085	IVYIJIHBHAPROX-PCLIKHOPSA-N	538.575	6.547	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2Cl)ccc1OCc1ccccc1	408538371	LSVPWXMVQXWZNA-YSMPRRRNSA-N	587.503	8.404	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	408538405	MIKWISAJAVDAIU-JWGURIENSA-N	513.476	7.441	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408541203	BZXYLEJJWJKMHY-ZDLGFXPLSA-N	603.210	5.877	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543132	PILSSOARSFSRLC-HAHDFKILSA-N	564.469	6.753	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	408554212	QSUMZKWQKAVTNE-RCCKNPSSSA-N	534.597	6.685	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	408554220	QTMULYMAHILOQJ-FSEGOYHTSA-N	561.445	5.835	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1OC	408581594	JHIFTFDUELBMLI-OEAKJJBVSA-N	500.392	7.263	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408642758	NTZUBHQLIHJXPC-NFTFIMACSA-N	665.593	6.197	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408647867	VXCMEYWUXGEDTM-NCOADZHNSA-N	686.011	6.462	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	408677566	RWYOCACHVXBSHB-MUFRIFMGSA-N	552.425	5.099	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccc(Br)cc4)cc3)cc2-c2cccc3ccccc23)cc1	408727891	YRZRWIRLWWHRRY-SEBMTOOBSA-N	615.531	8.106	50	40	KKGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408742820	PZSNAGACHLSEMZ-NMYVSBTQSA-N	583.673	5.591	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408747725	SBGSDUYZLGTMPV-KQWNVCNZSA-N	605.330	7.744	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408749620	IAPPSKIBFVAGFZ-KYHGBAKBSA-N	706.293	6.000	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1	408752773	KBEMXTXUAHKMMH-KBVAKVRCSA-N	509.949	5.178	50	40	KKGB	
CNc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I	408754981	SYMWYJYVVJPRBP-WZUFQYTHSA-N	608.015	5.246	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc2c(c1)OCO2	408765634	WVQIOMJSLUVEQM-NVMNQCDNSA-N	507.340	5.311	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408789755	KXRGSFZTOMNRCO-LPYMAVHISA-N	528.362	6.635	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I	408795571	VRZQOOMCBXPMCT-CXUHLZMHSA-N	584.195	5.623	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1	408795684	MGVKMIMIGJLUMK-YBFXNURJSA-N	566.364	5.277	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1	408796295	NOOZDWAZGYJUOU-DEDYPNTBSA-N	511.405	6.915	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1	408798216	VHCYSNXEWGQHAU-VCHYOVAHSA-N	790.133	6.412	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)c1	408798344	WGMBBIADDMZORS-UDWIEESQSA-N	587.255	6.795	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(Cl)cc3)cc2Br)cc1	408799177	YCOSIJNYBYTHBW-DEDYPNTBSA-N	555.856	7.025	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	408829175	OFNPNFHRYXWDLC-VMJBBSNPSA-N	568.320	6.974	50	40	KKGB	
Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408832580	RJKSKTYUBQZPBT-BVMLUPFRSA-N	596.496	5.698	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1O	408839346	QXUYOOKMJBKHBF-KKMKTNMSSA-N	558.841	6.048	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408840461	GJXACAZYZKNSMU-WCMJOSRZSA-N	602.496	5.925	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(C(C)(C)C)c1O	408841401	IVFIXPUEDZNWBO-XAZZYMPDSA-N	532.632	6.899	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408844218	BOACYCCTTSBRKA-NVJOKUIPSA-N	595.220	6.696	50	40	KKGB	
COc1c(Br)cc(C(=O)N/N=C/c2cc(C(C)C)c(O)c(C(C)C)c2)cc1Br	408850721	DAQUFSUFEQGMNV-YSURURNPSA-N	512.242	5.937	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	408857121	JRGIMFQYPXUDJW-ALQBTCKLSA-N	651.141	5.029	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408857552	KOPIESDVJTZPFY-FDAWAROLSA-N	580.062	5.431	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cccc(Cl)c2C)cc1	408860539	XVUOILZETACYHY-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccccc2F)cc1	408861861	DXSFSJNYKOARNW-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)c2cc(Cl)ccc2C)cc1	408863472	SCRHKZSESURSJQ-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408864165	STGRLOYBYYXOQK-MHDJOFBISA-N	633.985	6.717	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Br)cc1	408864934	BBAAJQJZEIOBFX-KGENOOAVSA-N	523.814	6.416	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3Cl)c(OC)c2)cc1	408867991	MZBUCONXBMLSNX-UDWIEESQSA-N	553.840	6.424	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1Cc1cccc(F)c1	408873309	SPRBIAPDIZQHFC-CAOOACKPSA-N	533.319	6.752	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc2ccccc12	408875250	HYULCCJRDHXPJT-APTWKGOFSA-N	601.084	5.566	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2OC)cc1	408890267	QOACMSFTXOMDPQ-MHWRWJLKSA-N	531.779	6.429	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1cccc2ccccc12	408890738	YJOYHAJJANLFPZ-RGVLZGJSSA-N	592.833	7.297	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccccc1Br	408892331	ANNHHBHRHYBISP-LICLKQGHSA-N	560.217	6.484	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl	408894021	IGMHBBOBPDZPOI-XODNFHPESA-N	530.433	6.355	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)Nc2ccc(Br)c(C)c2)cc1Br	408904687	NBIWPMACFCYEGS-LSHDLFTRSA-N	546.057	6.003	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408925698	SXDNNQSRUYGTGO-CPNJWEJPSA-N	518.356	7.179	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OCc1ccccc1C	408927018	ZHCUTMVUZZXISN-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	408969144	IBVOXQABYDIPAB-IZOYBOFUSA-N	518.828	5.292	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1F	408984505	RNJQEBZXISZZOW-MTJSOVHGSA-N	539.832	7.403	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(OCC)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408992036	QDYSYEAPUNEMPH-NRXPLXKSSA-N	593.687	6.082	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1ccccc1Cl	408992389	AXICMDLWNLXWIP-AQTBWJFISA-N	514.750	6.069	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	409013461	KLQRINQNTUKCLM-XOKZCQMESA-N	550.486	6.748	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409033253	OKQBNFYTPGISHM-QNVXDBMFSA-N	595.313	8.858	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccc(Cl)cc4Cl)(c4ccccc43)[C@@H]2C1=O	409033540	LZGYMZKHPMYFKS-JUHZYHROSA-N	614.916	6.922	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081719	KUTIALYTNLIRFW-MHWRWJLKSA-N	653.351	6.963	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1	409089775	JZZBGAHZVOQAOM-RIYZIHGNSA-N	554.269	5.512	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	409112107	KDONWKSDUZRUAN-XZYGTATASA-N	640.589	6.934	50	40	KKGB	
Cc1[nH]nc2c1[C@@H](c1cc(I)c(OCc3ccc(Br)cc3)c(I)c1)C(C#N)=C(N)O2	409129939	HTIMDYDVCQGJBZ-SFHVURJKSA-N	689.089	5.487	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1F	409138287	ZPQSIDKLAVYZEU-JOCHJYFZSA-N	513.363	5.381	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1C	409162489	FLOFBLRSFBTXEC-XKJRVUDJSA-N	592.277	5.479	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	409181469	BAKCHIDTNLWESF-RGMZLYFRSA-N	651.473	5.333	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409213580	PWOCHDAXJKRGBX-MTJSOVHGSA-N	519.782	7.807	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	409214061	XKOQCCCVZLLMSG-LUOAPIJWSA-N	586.708	6.826	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409217832	CABXKQZCBCNIFB-OVCLIPMQSA-N	545.766	6.118	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccccc4)c(OC)c3)c2)cc1OCC	409220001	XGRLBGHJAKOPPH-NNDUZZDJSA-N	607.663	6.128	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409222066	ADCDUWJRTZIILB-UHFFFAOYSA-N	606.418	5.966	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1	409223923	HQLFFAJQZPRUNJ-BLKCERIVSA-N	583.000	6.192	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)Cc3cccc4ccccc34)c3ccccc32)cc1	409226717	RUPDIZQBZLBEIN-SJCRKPTASA-N	575.668	6.044	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	409230696	FOVPMKZULFGANX-PPDIBHTLSA-N	554.641	6.276	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409231756	MBMFLMYQPVBRPY-LSCVHKIXSA-N	699.208	6.911	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)cc1	409253945	HAQMHXUYGWQQIG-YVLHZVERSA-N	647.707	6.215	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(C)c2)c1	409257575	TWGQVAHKBUZFPC-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409271768	MWUBNXZHUVZUSP-ODLFYWEKSA-N	582.838	5.761	50	40	KKGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)=C2C#N)cc1	409316116	LLIVSSMCDUOIAZ-OAHLLOKOSA-N	524.362	5.487	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)ccc1OCc1ccccc1	409317479	UGUNDDQQXHGWDR-APTWKGOFSA-N	528.580	6.155	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	409319281	CWCUBUICQOOQLQ-ACXHZZMFSA-N	600.897	6.156	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1OCC	409333946	KMULOFKEAYBNDL-MNBJERMJSA-N	547.449	6.743	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1cccc(C)c1	409384971	HQKHTWCKJOCLCE-CCVNUDIWSA-N	523.998	6.513	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)c1	409395403	NEGWWKAJMZHJSW-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)c1	409395734	RCZALEQYKHAABA-UHFFFAOYSA-N	709.822	8.622	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409397611	LVJVFFVQXNUGKX-UHFFFAOYSA-N	707.908	7.010	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409400768	FITBQEKQLZLQGX-UHBFCERESA-N	546.967	5.604	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccccc1Cl	409404221	PLKCBWNXLAOMQE-VHFSBPNMSA-N	662.968	8.034	50	40	KKGB	
O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	885164048	GHPYZSRIQBRRFF-UHFFFAOYSA-N	766.207	9.094	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc(F)cc2)cc1Br	1529545803	BJGVYFXQKSKATD-RZNGARSMSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	1529549008	RVMVZUKIYWQKJO-KVNFINCSSA-N	661.995	6.111	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(Br)cc1	1760164	AFPVIFUTDIBWOJ-WYMPLXKRSA-N	529.510	5.989	50	40	KKGB	
N#CC1=C(NC(=O)CSC(=N)N(c2ccccc2)c2ccccc2)c2ccccc2CC12CCCCC2	1788640	NBRFBOLSQVFRDG-UHFFFAOYSA-N	506.675	7.050	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc2ccccc2c1	2096929	KBZKSJQATFQVAG-LXISSDBLSA-N	541.080	6.317	50	40	KKGB	
CCOc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1	2322517	KSNZDNXMLBNALV-NLTRVXJZSA-N	504.011	5.804	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(Br)c(Br)o1	3082900	UUCOONIYDUVSJP-ZVBGSRNCSA-N	514.999	5.413	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1I	3255417	QTDBKYBPLLXPTQ-KPKJPENVSA-N	576.026	5.761	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4cc(C)ccn34)o2)cc1	4460549	LEJRYWDRMBKUAV-MNBJERMJSA-N	555.660	5.008	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc3ccccc13)N2	6074180	HATBGVIBXSBWJO-CNSBPHOCSA-N	529.061	7.989	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc3ccccc13)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136356	JNMUAUICUSPDBY-OTPDGJPLSA-N	562.047	7.703	50	40	KKGB	
Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(=O)n(-c2ccccc2)n1C	29491197	NTRPXMVUFQRVRT-ZXVVBBHZSA-N	675.576	7.769	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CC[C@@H](C)C2	53305722	LECQRYMNQNEDKK-DSQDWWTGSA-N	529.445	7.162	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1	59332839	UGBBHILGXQFJJD-NKFKGCMQSA-N	502.412	5.284	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2I)cc1	98001661	HHUFPTSICPXTCX-KKMKTNMSSA-N	672.111	5.873	50	40	KKGB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(/C=C(\C#N)c4nc5ccccc5s4)cc3)cc2)C[C@@H](C)O1	100816521	UYHHGHATHSRWIJ-IWEFTRBYSA-N	559.669	5.378	50	40	KKGB	
CC(/C=C/c1ccccc1)=N\NC(=O)COc1c(Br)cc(C(C)(C)CC(C)(C)C)cc1Br	101674782	XZTZICLQNCMYMB-VPXPGVMISA-N	564.362	7.510	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1	102862226	WRABTIPIFGWIOU-AREMUKBSSA-N	501.652	6.535	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	103890905	KMTALHISVKHWKD-NDENLUEZSA-N	538.387	6.763	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)ccc1OCc1ccc(Cl)cc1	104052542	IPFGNMIKIKSAOB-WCMJOSRZSA-N	513.981	5.581	50	40	KKGB	
CCN(CC)C(=O)C(/N=C(\c1ccccc1)N(CC)CC)=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	104203919	JCMJZKNHBHTNBO-JTBTXWRFSA-N	638.816	8.006	50	40	KKGB	
CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341431	GNZWFMZOQNGUOW-SNVBAGLBSA-N	786.242	11.211	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1	150386667	HAXALUOVBIGEGG-MJXLXAJKSA-N	633.048	5.740	50	40	KKGB	
O=C(NC[C@H]1CCC[C@@H](CNC(=O)NNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)C1)NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1	150443748	LWXHRNWIMSZBEY-MEKGRNQZSA-N	790.798	9.011	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795315	JFGKJLVJKBJQJJ-OCAPTIKFSA-N	1002.090	12.412	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	211030977	IDPKWODGCPXQHP-XHLNEMQHSA-N	507.656	5.037	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2OC)ccc1OCc1ccccc1	408538418	MPNFXYXYQNSFHZ-MFKUBSTISA-N	585.056	7.157	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2OC)ccc1OCc1ccccc1	408538506	NZYFCWNACCQXTE-MFKUBSTISA-N	631.498	7.699	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408538832	CGSUXOCQNGTRJI-APTWKGOFSA-N	529.036	6.969	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(Cl)cc1	408543119	PDILGWAGDPGBGF-VXLYETTFSA-N	545.760	6.295	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408554635	SJZYQYFRXSLJOM-OVCLIPMQSA-N	613.217	7.338	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccccc1Cl	408568038	RRJGITXVOQYBPX-LZYBPNLTSA-N	512.766	6.770	50	40	KKGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)c1ccccc1	408610306	NKEDMGLOBDYKFW-JBCPZZPVSA-N	504.801	5.553	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408610339	SZXHDTKAARKMHN-IBGZPJMESA-N	542.463	6.030	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408612999	YFTTUMQCXFQWEQ-LUOAPIJWSA-N	539.188	5.563	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(F)cc1	408646182	TWKRBLQRYULBJE-VQHPVUNQSA-N	635.111	5.295	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408648445	WKUKXTKZOODMSP-OAHLLOKOSA-N	814.909	8.063	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2I)c1	408677168	PTNBRPOBZMMIBY-OGLMXYFKSA-N	539.417	5.543	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1ccc(I)cc1	408710595	OUHVVELQRBYARV-CCVNUDIWSA-N	594.833	5.703	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	408718370	USHMUYXBKWLAGW-KIBLKLHPSA-N	582.150	5.555	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(C)cc1	408726141	QDTAFQOGQDGVJR-MTJSOVHGSA-N	538.385	6.041	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408727149	YMGHDXSWWOFOFA-BKUYFWCQSA-N	597.409	6.285	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(OC)c2)c1	408744439	FRCSUSLVBYWLNK-OCKHKDLRSA-N	506.942	5.601	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1	408758386	JKGSKEZCWCKKCW-PDGQHHTCSA-N	512.201	6.336	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2Br)c1	408763590	TWOGHZOIIUINRL-NVMNQCDNSA-N	560.673	7.298	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408764181	LOZAJAGYMREWPN-ZCGOLBPFSA-N	515.720	5.139	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1Cl	408788735	FRNCYBDZUUKMHP-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1	408792291	ALUXIKZFUCRTBI-FYJGNVAPSA-N	505.368	5.669	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(Br)cc1	408792998	COSIPPMWAKHTPZ-LICLKQGHSA-N	558.226	6.050	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I	408793303	DVBFULQFUOVDQU-WLRTZDKTSA-N	589.611	5.113	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1F	408796910	PSDIDQDZFNUFAE-VCHYOVAHSA-N	540.345	6.020	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)c1	408804979	IARFRQPCVKSMRT-PXLXIMEGSA-N	501.413	7.888	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408805936	CSMGATHRRQBOME-BUVRLJJBSA-N	555.030	7.112	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc2c(c1)OCO2	408820468	WIYYDMOQEKSNMU-CLHYIUPASA-N	699.545	7.528	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408825945	SECMPRXTINXEEH-WGOQTCKBSA-N	587.503	8.404	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408826093	KPLGLZIQCSKELB-OGLMXYFKSA-N	611.536	8.168	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(c1ccccc1)c1ccccc1	408828308	DMIIPVDAJTXSFT-FADJLKOXSA-N	598.124	6.606	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408831769	HIHIEALVOWHKSP-CNCDYAKUSA-N	633.941	6.028	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)cc3)cs2)cc1	408841210	DBYKURSOYUSTIR-MUFRIFMGSA-N	523.574	6.794	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OC	408841349	GKSOZTWPSRPSOM-LUOAPIJWSA-N	557.392	5.768	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl	408859726	ZCCCDFOUDYMZQY-SXGWCWSVSA-N	546.204	6.609	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408866352	FEZDUTWJICLLTQ-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408869046	OZFHSCDXUOKRJU-LICLKQGHSA-N	546.299	6.501	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	408877162	QKHBPFUUKDWZRP-DPNNOFEESA-N	609.079	5.151	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(Br)c1	408881878	OWEZFHQQYSQMMD-XYOKQWHBSA-N	555.053	7.633	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	408886183	DXOQAEWSAJWIPF-LDADJPATSA-N	531.417	6.014	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12	408888341	ZJSCPNTVNKQFCW-CPNJWEJPSA-N	572.371	6.284	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	408890852	HLCZAEVKVILKCQ-CAPFRKAQSA-N	502.979	6.115	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408894823	JDAAGNGFCRSNNA-RVDMUPIBSA-N	548.360	5.224	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1C	408896169	PRIOCBZASYLGJU-RGVLZGJSSA-N	521.367	5.589	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)c(OC)c1	408956578	RIKKRLZELJEAQL-WHNQQBDFSA-N	827.470	6.515	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)c(F)c1	408967123	PIHIFEGJONUQQB-IPBVOBEMSA-N	643.169	5.389	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408970695	CBDBCEQYHLOZSM-MFMDTELDSA-N	795.329	8.331	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c2ccccc2)cc1	408979993	PFBVJDSRUHNPEK-XIOXGIFKSA-N	545.636	5.273	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408983980	PBDAOGGIKIKLEU-IDUWFGFVSA-N	580.693	7.851	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)C(=O)NCc1ccco1	408989043	GQRHUCVLVNLZFG-FOWTUZBSSA-N	552.593	5.657	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1Cl	408994355	YVJYLPIMVDMRMY-WQRHYEAKSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409006254	IJYGUKKMMCCHPP-NDENLUEZSA-N	627.333	6.790	50	40	KKGB	
COc1cc(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C(C)C	409015335	OTFCNJODRPSCEZ-JTZAYLPYSA-N	536.500	5.882	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc1ccc(Cl)cc1Cl	409015918	PLQKYEHABHDFFC-ZVSHRJSOSA-N	597.337	5.608	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409017285	MBPGDBAYJXNFBR-QDTIIGTASA-N	572.799	6.499	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020607	QZNMWYJYHZAFJK-WBIBEUCMSA-N	640.831	7.033	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409038790	VURIMZCEGXZQIE-NKHVPTTDSA-N	595.313	8.858	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	409085790	ZIRNPLJDTOQDAY-MHWRWJLKSA-N	561.900	7.012	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)OCO3	409097706	NWZDZWRPXREEAK-JOCHJYFZSA-N	625.100	7.044	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(I)c1OCc1cccc2ccccc12	409133340	SKTKIPGHHHJNSP-QHCPKHFHSA-N	564.383	5.282	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1	409154932	KWLJOULAFMMUTM-OGLMXYFKSA-N	524.415	5.296	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)cc2c1	409187297	OPQLJAVZPTTYQH-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1	409224252	KMHXMYRQICBLLL-CAQPMQTCSA-N	541.991	5.892	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc(OC)c1OC	409226658	QNBPMGBOPYTWGC-ACXHZZMFSA-N	577.977	5.194	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccccc1C	409253051	VSODALIWSXGPKE-ZDLGFXPLSA-N	612.380	5.080	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	409309942	OHEBIQOSRYOKEZ-WKIKZPBSSA-N	652.252	6.382	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OC	409321864	HKOSTRADZWDRDX-NUJZUDFISA-N	574.859	5.600	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1Cl)Nc1ccccc1F	409370878	VDMZJBFFLDLJCF-YPXUMCKCSA-N	599.638	5.491	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(Br)cc1	409372030	QSVTWCLBFFRKNG-YVLHZVERSA-N	517.192	7.002	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccccc1	409372144	SKWLZYRUQDEOJV-ODLFYWEKSA-N	569.355	5.680	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409394478	AWTLDSFXHFWFTK-UHFFFAOYSA-N	679.796	8.613	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409394561	CENATHXRASEHEN-UHFFFAOYSA-N	608.408	6.360	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccccc1Cl	409396121	WNGYDFDCFSSERS-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409396662	ZVQGMKGQAWVMOC-UHFFFAOYSA-N	745.811	8.878	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397038	FKWHBSZPJBWTJD-UHFFFAOYSA-N	571.555	7.154	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397144	GUJOQWNHIWZEMZ-UHFFFAOYSA-N	552.030	7.179	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409397524	KVGFXRBNFTYZMX-UHFFFAOYSA-N	572.404	6.854	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C(F)(F)F)c4)c(OC)c3)c(-c3ccccc3)c2c1	409397771	NWZKWQBNPGNBAY-UHFFFAOYSA-N	601.581	7.244	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409398464	TXPKVQSHEZQMMC-UHFFFAOYSA-N	660.908	7.361	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409398566	UPEBVEISTJXLAU-UHFFFAOYSA-N	576.653	6.291	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCC(=O)Nc3ccccc3F)o2)cc1	409400057	BDZIETCUFCYWNE-CLHYIUPASA-N	623.685	6.253	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)o2)cc1	409401587	HOWPVYOTOBHLBD-CLHYIUPASA-N	574.656	7.481	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C/c1ccc(F)cc1)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	2033240074	LYGIRJHOSGMNLO-OUJSEXDLSA-N	512.710	5.683	50	40	KKGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O	2231854	ITZRZYPHPIHNKH-ZCTHSVRISA-N	504.615	5.604	50	40	KKGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)c1O	2350084	DLGILDWBKQNZFN-MUFRIFMGSA-N	518.042	5.573	50	40	KKGB	
O=C(Oc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1cccc(Br)c1	3113323	PZWNPBIDGJFAKM-NDZAJKAJSA-N	529.390	5.055	50	40	KKGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	6906888	GGBVQFDREOLDLA-MUFRIFMGSA-N	517.010	5.992	50	40	KKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2cc(OC)c(OC)cc2OC)c(C(C)(C)CC)c1	12562114	VMLAFBCGWKBMII-AJBULDERSA-N	512.691	6.397	50	40	KKGB	
N#CC(C#N)=Cc1ccc(/N=N/c2sc(N3CCOCC3)c(-c3ccccc3)c2-c2ccccc2)cc1	16491805	UTFBNPAMNVKAJS-JEIPZWNWSA-N	501.615	7.765	50	40	KKGB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)cc1Cl	19927956	DMSTVHNHHCKCEF-PGMHBOJBSA-N	522.008	6.672	50	40	KKGB	
C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58916802	YFOBRYOXDOMNJD-JYNCRIJLSA-N	513.682	7.043	50	40	KKGB	
CCOC(=O)c1ccc(/N=C(O)/C(C#N)=C2\S[C@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccccc2)cc1	97968678	OAUFOFXWQHPNLU-NLTRVXJZSA-N	565.573	6.597	50	40	KKGB	
O=C(NC[C@@H](Cc1ccccc1F)c1ccccc1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	98007332	LSYQWUVAYAWTJO-HSZRJFAPSA-N	537.484	5.050	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	100124165	BUJOLOKFQRRHKH-ATZGPIRCSA-N	572.584	5.598	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1	100220806	LSFZZEZBFQIRRW-ZCTHSVRISA-N	609.546	5.601	50	40	KKGB	
N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1	100879036	DLYDCRYIVMJEGL-HBMCJLEFSA-N	575.271	6.098	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	100954729	LSSKLGJPVWNKKK-WOJGMQOQSA-N	538.354	5.586	50	40	KKGB	
CCCCN(CCCC)S(=O)(=O)c1ccc2c(c1)C(=C(C#N)C#N)c1cc(S(=O)(=O)N(CCCC)CCCC)ccc1-2	101192671	PSZCMDJDAWAFNW-UHFFFAOYSA-N	610.846	6.698	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1	103012318	DSCAVVFKLMPPLS-SJIPCVTESA-N	549.737	6.388	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	103889790	XGMOVOGDGMLALP-SXGWCWSVSA-N	522.215	7.433	50	40	KKGB	
COc1cc(/C=C2/CC[C@@H](C)C3=C(c4cc(OC)c(OC)c(OC)c4)C(C#N)=C(N)O[C@@H]32)cc(OC)c1OC	104318061	BIYWMOLCMUADFB-QCEONRNCSA-N	534.609	5.098	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)ccc1OCc1cccc(Cl)c1	105586741	JVMHXSYVJDBFIR-DPNNOFEESA-N	565.522	8.027	50	40	KKGB	
C=CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)C(=O)N/N=C/c3ccc(-c4ccc(Cl)c(C(=O)OCC=C)c4)o3)o2)ccc1Cl	150353631	YJCWVDASMFFAER-PKRYOZTKSA-N	663.470	5.799	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795422	PDNQAKHUKXVHDQ-GJZGRUSLSA-N	1000.260	13.872	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1Cl	408541022	AXFKLSVTXYEHFM-JAIQZWGSSA-N	512.787	6.843	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc3ccccc23)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550328	CUEFZIDSLWJTML-CNCDYAKUSA-N	615.311	7.089	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408568643	KTNLKSBUNAVJKN-KCSSXMTESA-N	592.739	6.099	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408580324	OIZNROWDWWZBAP-HZHRSRAPSA-N	508.843	7.873	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccc(Cl)cc1	408581055	TWOGWXWFDARVGC-RGVLZGJSSA-N	575.830	7.004	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408610341	TTYKVHDQFFWSAQ-IBGZPJMESA-N	528.436	5.694	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(Br)cc1	408724320	BADHSGLUXHFLAG-YVLHZVERSA-N	605.226	5.893	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1cccc(I)c1	408753158	DWAHQDAPEKHKDR-FYJGNVAPSA-N	580.403	5.758	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408755262	JBCUFSIDKFWBLU-XSFVSMFZSA-N	625.401	8.122	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408755476	VBUNIVKOASGIIL-PXLXIMEGSA-N	591.483	6.623	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2I)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408760013	PYYBEDLWCHQKJF-WJDWOHSUSA-N	592.220	6.161	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1	408777784	IVMRIHSLKYIBSJ-YBEGLDIGSA-N	501.848	6.913	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1OCc1ccccc1Cl	408783200	LAYCVYYQYURSSQ-JCMHNJIXSA-N	582.926	7.472	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)cc1	408790612	XGIZXEAGVBYGKJ-FYJGNVAPSA-N	630.866	6.645	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408799250	YLVMHZOBOKHHDB-LZYBPNLTSA-N	685.643	6.582	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OCc2ccc(Cl)cc2Cl)c1	408828063	LJYSFSBEVJYLFV-CAOOACKPSA-N	547.822	6.797	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccccc1	408840674	ZTSYINQYZFJFOP-MWBNBJEGSA-N	662.009	8.711	50	40	KKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c3ccccc32)cc1	408841050	FHYAOISIFFHWCT-ROPCREHHSA-N	547.606	6.910	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5cccc(C)c5)c(Cl)c4)cc3)cs2)cc1	408841226	DKEQXHGMEKJBJQ-XJECJHNESA-N	601.559	8.820	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)/C=C/c1ccccc1	408842328	JAYUFTQXPRCBBV-QHQJKQDISA-N	559.622	6.120	50	40	KKGB	
O=C(N/N=C/c1ccccc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408845972	QCTYESYRQAZZLM-LGJNPRDNSA-N	512.816	6.333	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc2ccccc2c1	408846505	SRPMTEVWKSXFCD-ODQASSKESA-N	669.523	8.102	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408852413	KNTBXFJZSJFNQN-DPNNOFEESA-N	533.455	6.575	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408867555	LNRNMNWMHZBZJG-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)cc2)cc1	408869216	RJUCUIWVRTVJED-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2ccc(C)cc2)cc1	408875224	HPUQQVZDLDKOHT-RWPZCVJISA-N	521.586	5.081	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	408882175	NUMCWTVXOWVHOO-LFIBNONCSA-N	501.753	6.420	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)c(OC)c1	408884022	SMEAWGCWLMZPOU-OKCVXOCRSA-N	588.469	5.616	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1Br	408886309	JWIRLFAOFJKQIK-XCVCLJGOSA-N	564.017	6.371	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1cccc(I)c1	408889950	LPJNIDJHBGLMBE-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccccc1	408898225	VVTBLACUFSOUJK-RGVLZGJSSA-N	536.382	6.189	50	40	KKGB	
O=C(N/N=C\c1ccc(O)c(I)c1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408904127	FDOIODGZZLRMNN-WGARJPEWSA-N	515.395	5.620	50	40	KKGB	
COc1cccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1OCC(=O)Nc1ccc(C)cc1	408904555	LIZXNJAYHZOQLQ-VYYCAZPPSA-N	525.403	5.248	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408919620	ZHYXNIICGOPUSQ-HMJHGKHZSA-N	516.392	5.221	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1cccc(C)c1	408922851	GVWJYLPNTOIXMR-ZSNJKBEMSA-N	623.632	8.119	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1	408945474	KWJLYCYACUAHIT-MHZLTWQESA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cn(Cc2ccccc2Cl)c2ccccc12	408950128	RPWFSVFMIVUWSZ-SSEXGKCCSA-N	616.143	5.228	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccccc1C#N	408953255	PKCSNYVUUWBIGY-FMCGGJTJSA-N	602.432	5.498	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)c(OC)c1	408957337	UFOPKRWTTHKVQK-WLCOTJRJSA-N	827.470	6.515	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c(OC)c1	408957432	UKWWPZRMODVFIS-QVTHKRDASA-N	846.300	6.668	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408997097	RBNWLVBIZPJWCP-IBBHUPRXSA-N	719.317	6.344	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OCC	409015282	ZHBDLUZCBMCNQT-NSKAYECMSA-N	741.114	5.509	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409076166	YXMLECZFRAENCK-CPNJWEJPSA-N	553.980	5.299	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409086253	UXPCYGJFOKEZHH-MHWRWJLKSA-N	561.900	7.012	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Cl)cc1Cl	409094118	CCAMRUCJBBQMOV-DEOSSOPVSA-N	590.257	6.680	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Br)cc1	409108178	VKCLIQSGPQNGFR-QHCPKHFHSA-N	586.236	5.746	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C2=C1CC(C)(C)CC2=O	409140178	FPIZXRJTMXZVBH-DEOSSOPVSA-N	649.811	6.827	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409140440	FGBCNCZMGPJBFH-YNCTYVJUSA-N	547.902	6.629	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	409141850	JGFDDFMKLHFRIB-NRFANRHFSA-N	565.194	6.101	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409143152	ZIABLTSCNBHAKP-HXUWFJFHSA-N	564.661	6.259	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1F	409156974	HLFXWXKXOAYDLO-PNQUVVCRSA-N	581.815	5.291	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl	409159188	ZGWUFGDCRRYSGU-VPUKRXIYSA-N	612.695	5.824	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OCC	409184861	IHYFTGKUTKGLAJ-FDAWAROLSA-N	561.582	5.015	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409218295	HTEAKYZAEQJZSD-UHFFFAOYSA-N	531.490	5.941	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409219627	ONMLIVLHMQSYDA-UHFFFAOYSA-N	586.398	5.413	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409220431	ZIUANHYEAUFAED-VEQCOOSNSA-N	736.329	6.484	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1	409222339	BWSMOZZOKVABEA-KYHGBAKBSA-N	586.988	5.801	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1	409223819	ILHZCFGQNUIGBT-IKZWVRGLSA-N	538.003	6.283	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)NCc1ccccc1	409224090	IXEQSLJNORWLEQ-XDHOZWIPSA-N	524.802	5.343	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1	409224752	MGLDCJRHPOTBTO-UHFFFAOYSA-N	714.208	7.518	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)c1ccccc1	409243064	YJDNRWIWGMCFFG-OJSPLJLUSA-N	526.349	5.794	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409248810	QZVWCQYNMVGCCF-VLZFXTDASA-N	504.970	5.800	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1	409258504	XVQMCBGLWNIRAP-ODLFYWEKSA-N	583.280	6.392	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409323669	OZSVAFBPBFXFMY-OHUYPAJKSA-N	673.969	6.620	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1OCC	409333169	NPKYTTRWMVDXOE-NUJZUDFISA-N	620.294	6.050	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(I)cc1	409368672	HBELQTJQXMDRFF-MFOYZWKCSA-N	585.066	8.004	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1C(F)(F)F	409370680	CFSJRTLUVIXXRZ-DBFSUHOCSA-N	588.833	5.463	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2)cc1C	409371601	XLNGKXMQSVVJIP-VFLNYLIXSA-N	646.279	6.198	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccccc1	409394560	CEINIWQFTROGGL-UHFFFAOYSA-N	619.846	7.076	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1	409394749	FJRFVBQZWGIKSZ-UHFFFAOYSA-N	760.664	8.768	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409394961	ICQPSBVUQYWIRX-UHFFFAOYSA-N	616.899	7.633	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)o2)cc1	409407508	GKALTOZHUXLDCE-OHUYPAJKSA-N	550.615	6.136	50	40	KKGB	
COc1ccc2c(c1)CC[C@@H]1[C@@H]2[C@H](C)C[C@]2(C)[C@@H]1CC[C@@]2(OC(C)=O)C(=O)C(Br)Br	575625240	CQPHZFNOXSLULF-COBPUDADSA-N	542.308	5.784	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12	1529547924	RPWFSVFMIVUWSZ-VYSXRSOESA-N	616.143	5.228	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OCC)c1	1529549177	UJXVHBCCNDLWLO-XXPSCNKNSA-N	637.158	5.203	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1	1102299	GYGPVACCAJACFR-NDEPHWFRSA-N	559.091	6.364	50	40	KKGB	
CC(=O)n1cc([C@@H](C[N+](=O)[O-])SS[C@H](C[N+](=O)[O-])c2cn(C(C)=O)c3ccccc23)c2ccccc21	1854486	ZEWNRSGIQZFDRO-DNQXCXABSA-N	526.596	5.633	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1OCc1ccccc1	2592687	KOZSEXRQIAZUMJ-ALQBTCKLSA-N	598.128	6.726	50	40	KKGB	
CC(C)c1ccc(N/C(SCCOc2ccc(Br)cc2)=C(/C#N)c2nc3ccccc3s2)cc1	2639011	CEFKZTWOPBRRJT-WNAAXNPUSA-N	550.547	8.299	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	3669226	QKOUPKYSHNSZAZ-QFIPXVFZSA-N	505.615	5.493	50	40	KKGB	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1cc(-c2cccnc2)nc2ccccc12	6182588	JXLOCLPCKCBDBS-UZWMFBFFSA-N	501.594	5.155	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926206	CMYDQWOMNPFNNA-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2C#N)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccccc12	33354857	UWEJVABXYSJIBW-MGBGTMOVSA-N	635.702	6.011	50	40	KKGB	
CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	97946775	OMKJVAPHWFIHBD-QRQIAZFYSA-N	549.030	6.384	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc(Cc2ccccc2Cl)ccc1O	97961034	NQJFDHSKKWCHPW-LUOAPIJWSA-N	631.546	6.453	50	40	KKGB	
CCCCCCCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1	97966008	MCXUGDXBFMASCS-MHZLTWQESA-N	521.683	6.641	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1I	98001732	XIFVRCAINKHAME-LUOAPIJWSA-N	692.529	6.218	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	98048600	WCFAIHWJXFYWFR-DEOSSOPVSA-N	607.441	7.312	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126391	BXLXMLQKWJUUEH-KBVAKVRCSA-N	597.510	5.650	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	100129828	LMBRGZIFJJYQQC-APTWKGOFSA-N	597.568	6.093	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1C	100130036	SSPSUAQOUUNTCF-UCMJSZAQSA-N	577.150	5.748	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C(C)C)cc2)N1	100600814	NPDQRTQMQSPOBQ-MHZLTWQESA-N	528.703	6.578	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)cc1	100860003	IDXANSYNANYWHA-STBIYBPSSA-N	540.476	6.272	50	40	KKGB	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)c1	101132942	UKFBTUPFEWZXKK-OQKWZONESA-N	539.686	6.244	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC3=C2C(=O)CC(C)(C)C3)cc1	101562940	LQSSFKQCMUJETB-XMMPIXPASA-N	541.595	6.151	50	40	KKGB	
CCS/C(Cl)=C(/NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	101889986	QKSDFMWKYJGUNM-OHYPFYFLSA-O	503.027	6.529	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)cc(Cl)c2)=C(C#N)[C@@H]1c1ccco1	102760621	RJVPQADKNJZEBS-RUZDIDTESA-N	597.480	6.080	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	102783967	SXNVGTODVNDMDL-NDEPHWFRSA-N	543.092	6.663	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl	104953261	DQGKXPNRVJGSFX-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	112265236	NQTBKJBZYWQEKF-XODNFHPESA-N	542.808	5.510	50	40	KKGB	
O=C(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F	150352377	LXDDXXAFOATVOT-YPPKRKOXSA-N	924.116	9.166	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164738946	RKRRPBUZXYDPDV-NVNXTCNLSA-N	800.987	7.932	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	216061905	LNCUGGFYAPIKEZ-VFLNYLIXSA-N	709.149	7.334	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1OCC	408536686	AIRRIBGCKDSZRX-YKQZZPSBSA-N	572.569	7.783	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2OC)ccc1OCc1ccccc1	408539693	YBICFPLXJAZUNU-ZVHZXABRSA-N	589.475	7.714	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550908	IGTAPLHDZFDMJA-RQZCQDPDSA-N	536.242	7.781	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408581505	XLJGHHOKDHFNFS-FYJGNVAPSA-N	512.425	6.297	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)c1ccc(N2CCCC2)cc1	408678009	WWADAKNFIUZVDO-LQKURTRISA-N	651.286	5.839	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1C#N	408743800	HMGHRMXZQCQSNL-NHDPSOOVSA-N	549.368	5.605	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)c1	408744770	MQVRSZJAXGHHST-ZDLGFXPLSA-N	652.124	7.249	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(OC)cc2)N3)cc1	408751386	KASFBBGDMUMIHT-PAEZMBRGSA-N	527.690	6.304	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cccc(I)c1	408759762	LCUDWNXCVFHOBP-SFQUDFHCSA-N	573.184	5.819	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c2ccc(C)cc2)cc1OC	408780003	PMXQUYKZDPJNJU-MWAVMZGNSA-N	537.682	5.045	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCc1ccc(Cl)cc1	408782570	KHGDLCAOSUOASI-ULPWCQAASA-N	588.751	6.315	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408788121	BENQNPIUFORVDB-CIAFOILYSA-N	550.409	6.498	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408791078	SUOFPGLBXKRKKJ-QGMBQPNBSA-N	676.208	5.800	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1cccc(F)c1	408792336	AVAKOCCKQACNHF-VCHYOVAHSA-N	621.244	6.716	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccccc1C#N	408797760	TVZGTDYXIQKDBI-CVKSISIWSA-N	594.465	7.033	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1cccc(C)c1	408797909	TXJVPIUWQUWZCU-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc2ccccc2c1	408799556	ZVHZJVHJMSIIIK-AFUMVMLFSA-N	541.445	7.352	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408807901	LLVHJXSOCNETLK-YDZHTSKRSA-N	610.448	6.218	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1	408810927	KCNKMEXWRCJZOB-JCMHNJIXSA-N	514.423	5.993	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)C)c(OCC)c2)cc1	408817486	VZSAUUWXWWGSFU-WOJGMQOQSA-N	501.377	5.357	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(F)cc1	408823594	NYENWYJJEAZPKE-BUVRLJJBSA-N	635.917	8.344	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408840567	CJWRMRJYIQICJF-WCMJOSRZSA-N	666.282	6.355	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccccc1C#N	408841300	GBMIVDYAZCENLX-IZYHBKOJSA-N	652.574	7.848	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408845108	FKNNNOAFJNIWIU-IDWIKUEFSA-N	700.533	7.707	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC	408846029	XFWLWDLUPODIPG-VFLNYLIXSA-N	581.414	5.772	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1Cl	408855393	CUBDACRMRAWTHG-KPGMTVGESA-N	586.313	7.580	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408864141	WUDUTOONNAIUBN-WKULSOCRSA-N	601.910	5.313	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccc(C)cc2)cc1	408868244	OTYOXIWUBGKOEI-VULFUBBASA-N	522.479	5.369	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1OCc1ccc(Cl)cc1Cl	408874580	CBPDXVNKTLMJEL-KBKYJPHKSA-N	573.214	6.241	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OCc1ccc(Cl)cc1	408879422	DJBXIISNWPKQEJ-RQZCQDPDSA-N	670.672	6.682	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1C(=O)O	408881976	PHPHDZZVTDPTTQ-XMHGGMMESA-N	541.357	6.065	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1Cc1ccccc1Cl	408883064	QIOOKDFYNSWYCS-PCLIKHOPSA-N	601.928	8.217	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)n1-c1sc2c(c1C#N)CCCC2	408883869	ROBQRLXUARHGKB-KLPHOBTLSA-N	615.568	6.417	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408889680	IXINTVXVAOEAIP-YBFXNURJSA-N	647.447	5.528	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408892089	BABVBHPONFOEQY-CAOOACKPSA-N	605.670	7.206	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCC	408893745	HFWSOKFCODEHAM-LFYBBSHMSA-N	529.174	6.007	50	40	KKGB	
COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)ccc2OC)cc1	408894792	ITTNJSZRQBZSBA-LDADJPATSA-N	554.340	5.073	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	408905684	CIJCYZXTBMRSAY-YKDKEXQMSA-N	524.017	5.125	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2Br)c1	408921773	BWZGJHQGKVBGGG-VXLYETTFSA-N	585.252	6.861	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c(OC)c1	408955919	PQKKYTSRVLPNNQ-JRAMAACCSA-N	720.006	6.353	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408964320	GBOQIGRRVPSQOX-RPPGKUMJSA-N	620.197	6.051	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1	408964658	XVWFJZKPQGMFAK-JJIBRWJFSA-N	535.040	6.376	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	408984234	QCCGPLMVPBQOJM-MFOYZWKCSA-N	506.216	7.733	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)c([N+](=O)[O-])c2)c1	408992144	QPPVBFLISLIDAN-KGENOOAVSA-N	631.695	7.319	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc4ccccc4c3)c2C)ccc1I	408992502	AEVCSJCFANBCDO-JFLMPSFJSA-N	507.375	5.924	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409009482	AJDWMICYCRDIKH-XAZZYMPDSA-N	744.296	7.580	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc2cc(Br)cc(I)c2o1	409011843	IWVUDIAYINMWKC-RMORIDSASA-N	580.132	5.732	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1	409013868	NXFYYGVYNFBVAC-WOLMTRGDSA-N	729.742	6.575	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccccc1Cl	409023612	ILXFSBDAIVORLE-KVSWJAHQSA-N	548.220	6.854	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409044189	UAAGTOKWKWIUOM-LZYBPNLTSA-N	614.643	8.008	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409047832	PROGMPUWPXJLQP-LZYBPNLTSA-N	659.094	8.118	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)c1nc2ccccc2o1	409087888	UVJSEFPHURPAPN-NTUHNPAUSA-N	609.152	8.136	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)cc(I)c1OCc1ccc(Br)cc1	409143654	HWMBRPVJBHGLFR-MZJWZYIUSA-N	609.258	5.804	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	409183665	FKAHFOOWLUIMEP-NDZAJKAJSA-N	534.037	5.265	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccccc1	409222500	DHZOWMHSGLEGBD-UHFFFAOYSA-N	561.516	5.949	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC	409223974	JPBLCISSAHZMFF-SGVOACJUSA-N	624.606	5.256	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c2)c1	409227247	UQUQLARTZWQVRJ-UHFFFAOYSA-N	600.425	5.722	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409236051	FEVLPRLTKAARMU-RASHHNMQSA-N	541.445	6.974	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)n1	409236283	DDLKPRCFRAEADU-KIBLKLHPSA-N	703.300	5.032	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409254372	IKXMKJFKLCHRTJ-YBFXNURJSA-N	645.881	6.224	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1Cl	409261146	AMWHNZZIIHTUKN-MHWRWJLKSA-N	589.671	6.428	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1OCC	409324506	SWKBUAKJUGIAOP-HWIUFGAZSA-N	526.633	6.769	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409364881	QZXVMBPARKWTHR-MUXKCCDJSA-N	528.378	5.077	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OCC)c1OCc1ccc(I)cc1	409374283	LIJFJDGQEPDESQ-HAHDFKILSA-N	575.450	7.246	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409385537	LELMGYAGHZDOLH-YBEGLDIGSA-N	514.434	6.585	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c(O)c1	409392038	NGPHAYMSNYKEAL-BRJLIKDPSA-N	534.204	5.269	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409394653	DGJBOBAGTPFGAL-UHFFFAOYSA-N	617.843	7.142	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(C)=O	409395855	SMHYFWNJXQCNJO-UHFFFAOYSA-N	651.473	6.386	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(C)=O	409396747	AQYYBXTYYVWOQX-UHFFFAOYSA-N	690.934	7.176	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl	409397439	JWTRJNWPZAHRNC-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)o2)cc1	409400431	DDECRBMZMVGBKL-FDUMAKPYSA-N	701.832	9.332	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(Cl)c(Cl)c1	409401816	IDXAAHSJBVNEKD-RPHGGDOWSA-N	731.858	9.340	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)o2)cc1	409406230	WHPLPWYBKDSPBZ-VHFSBPNMSA-N	631.516	7.354	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1C	1529548823	HXAJTSSIXAUDSS-JTEOVWQGSA-N	724.909	6.172	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1c2ccccc2cc2ccccc12	1883606	XKHDUGLHYPRLPE-CCVNUDIWSA-N	535.119	7.033	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)sc2c1CCCC2	2197765	UGDCAEATQJHLPM-KAMYIIQDSA-N	504.464	7.210	50	40	KKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1	2206945	DGVHIHCBBBBCTK-SAPNQHFASA-N	509.638	5.443	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)c(O)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2348652	NNMMZXXOSXFWKH-MUFRIFMGSA-N	515.639	5.194	50	40	KKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1OC	2553514	GJHSCBNYNAQAAT-VCHYOVAHSA-N	516.450	6.774	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1c2ccccc2cc2ccccc12	2604455	OHVXHQOFAAZTKG-ALQBTCKLSA-N	574.731	6.875	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12	2698381	GLFKVCMLMBQESL-WKULSOCRSA-N	514.998	5.084	50	40	KKGB	
Cn1c(SCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)nnc1-c1ccccc1Br	2801959	FCDWXGKTTZCTFK-RWPZCVJISA-N	530.451	5.793	50	40	KKGB	
O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1-n1cccc1)c1cccc([N+](=O)[O-])c1	3170123	FNJSPNKSXPARHW-NDZAJKAJSA-N	504.502	5.522	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1F)N2	4063783	PREJUUCGALKQSW-QIEDNPPQSA-N	512.006	6.731	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NCCCn1ccnc1	8683410	DJWIMNQNQGHKNG-ITYLOYPMSA-N	546.606	5.567	50	40	KKGB	aggregator
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	20348669	SMOQKWNKMDEMLY-MHZLTWQESA-N	512.610	5.841	50	40	KKGB	
CSSC(C)(C)CCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(OP(=O)(O)O)c5ccccc65)cc4c3)cc2c1	95574982	GUGCTFDJMBFTSB-HSZRJFAPSA-N	806.303	9.018	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1cccc(I)c1	97962935	TZSWNAUJYJWLAK-KGENOOAVSA-N	580.403	5.758	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C\c2ccco2)cc1	97964228	UMFBTUSMDYDXBE-ZAZJLXDXSA-N	627.495	5.648	50	40	KKGB	
Cc1cc(C)c(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)c(C)c1	98048476	MRWBJDAYZUWYAT-SANMLTNESA-N	530.093	7.064	50	40	KKGB	
OCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100045499	FPLJNGUIASXYLD-RXMQYKEDSA-N	532.078	5.691	50	40	KKGB	
Cc1c(/C(=C2\C=C(C(C)C)C(=O)[C@H](Br)[C@H]2C)c2ccccc2S(=O)(=O)O)cc(C(C)C)c(O)c1Br	100072735	WRGLGAHSPIPXCI-UDRGRLPQSA-N	626.407	7.200	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccccc1Cl	100232896	VQSDRRXUQCKIMY-ODLFYWEKSA-N	547.674	7.907	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F	100405681	ZIWAUKPKRZUKGD-IURWMYGYSA-N	563.907	5.723	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2c(Br)cc(Br)cc2Br)o1	100706859	YCVVZPGDDDCIAE-QGZVFWFLSA-N	569.047	6.049	50	40	KKGB	
O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1	102067664	RXSIOMWUHMRCNJ-KOUJMVCDSA-N	525.624	5.415	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)cc1	102436783	UVXUPXSKNOESSY-MKCCAMSKSA-N	610.525	5.732	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccco1	102760746	BJFBEZPRPZGZBL-VWLOTQADSA-N	563.035	5.426	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3F)N=C3CCCC(O)=C32)cc(OC)c1OC	102868531	CAQKMMIYEYRFGD-DEOSSOPVSA-N	523.586	5.493	50	40	KKGB	
CCCCCCCCCCCCCC(=O)O[C@H](c1ccccc1)[C@@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C(=O)OCC	150495095	RZDVVCUECIKDMX-LQFQNGICSA-N	677.754	8.547	50	40	KKGB	
COc1ccc2c(c1)CC[C@@H]1[C@H]2[C@H](C)C[C@@]2(C)[C@@H]1CC[C@@]2(OC(C)=O)C(=O)C(Br)Br	169796793	CQPHZFNOXSLULF-VIIQDYIZSA-N	542.308	5.784	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	209287194	LQBSZPAZOPPIBP-JGRMKTMXSA-N	568.699	5.798	50	40	KKGB	
O=C(OC[C@@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	254625678	WISFGQOOKBVKPD-PCPRHZMTSA-N	659.485	5.640	50	40	KKGB	
ClC1=NP(Cl)(Cl)=Nc2c1s/c(=N/C(=N/c1ccccc1)c1ccccc1)n2Cc1ccccc1	263621860	PGAOMRULIOIQNW-NLMMQZBQSA-N	544.835	8.331	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccccc1	408540265	PJOBNBNINMBNJL-UCMJSZAQSA-N	529.036	6.590	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1	408543838	RSDVFIBHCHGJSA-VCHYOVAHSA-N	565.855	6.686	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408551274	MSZKMOFZSIRIPD-QRVIBDJDSA-N	553.283	8.951	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408552482	IXDAHLBOXWXSOL-HZHRSRAPSA-N	568.655	6.659	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408567905	QHKOUFHUDMWOLE-APSNUPSMSA-N	571.200	6.568	50	40	KKGB	
CCOc1cc(OCC)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br	408570473	VPICTYLACQAHCV-ZMOGYAJESA-N	525.490	5.254	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408604361	IHVJLLXBEJFHJP-GOSISDBHSA-N	532.855	6.284	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408641624	KSGGDEGRFOMWFC-BKZNIZDZSA-N	610.730	5.281	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1ccc(I)cc1	408691545	DHTYKZMLKGLOSB-BRJLIKDPSA-N	551.226	5.023	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408742947	CUUGUGOBOZZUGC-ODLFYWEKSA-N	537.211	6.208	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1	408746028	QIGSXGWHUHGDDA-NCELDCMTSA-N	534.446	8.664	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2I)cc1	408746822	WFIYHTXFGBXDMR-ZDLGFXPLSA-N	607.673	7.140	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408752877	CZYYUHYKJVTUIB-PXNMLYILSA-N	625.542	7.752	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1cccc2ccccc12	408756958	YMXINFVWWUPPFG-XIEYBQDHSA-N	504.567	6.306	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1cccc(C)c1	408761338	DRUREEXIFMGDCC-UCQKPKSFSA-N	517.423	6.619	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1	408768252	VKYXDLHLHFHFHG-YVLHZVERSA-N	562.766	6.217	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408775265	RUHWSJBFCWIDJM-ZDLGFXPLSA-N	593.248	7.121	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408777853	KHAYKXYXQAXMLX-CHHVJCJISA-N	557.080	5.985	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cccc2ccccc12	408789441	JFXDWUHVHIZEOX-CIAFOILYSA-N	551.857	8.323	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1C#N	408791438	XNPKRCFJOUGIBI-FSJBWODESA-N	577.422	6.303	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1cccc(F)c1	408792742	BXLZRONIBMIZSP-SRZZPIQSSA-N	570.402	6.571	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1C	408792958	MSQDWCLVSRGZES-RGVLZGJSSA-N	506.356	6.099	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408797460	RSLLDFCETVZFPS-FRKPEAEDSA-N	723.563	8.289	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798121	UNTWIUSZJHUSBO-LHHJGKSTSA-N	696.981	8.792	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1cccc(Cl)c1	408805760	LJRVPVZDXOCKRJ-RQZCQDPDSA-N	560.775	5.783	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408807370	CEOCORSENQMSLF-PVAUPGOGSA-N	588.535	6.995	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(I)c2)cc1	408813945	GCMVZFHVVPNFLO-NDENLUEZSA-N	558.803	5.756	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408816069	IQYDQZMRDNBREC-KOKCXWAISA-N	663.399	8.874	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1	408827889	MXPHANRQHKXBFR-VFCFBJKWSA-N	603.516	8.614	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408835071	XWWYEZNSDKWVMH-KOEQRZSOSA-N	584.028	7.351	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1	408842256	JQYKYMNPTSLVCJ-JJKQSNDFSA-N	715.333	7.544	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(I)cc1	408844224	BOIKGDMWIPGGSI-DBFSUHOCSA-N	653.698	7.195	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc([N+](=O)[O-])cc5C)c4C)cc3)cs2)cc1	408845155	PBMWXEPWSWPNGC-VTNSRFBWSA-N	564.671	7.250	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408848025	WPMUAXOVMHDQEE-JOXMEQDKSA-N	712.069	9.864	50	40	KKGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1	408852274	RLVKNHFOEHNLAT-MSXFZWOLSA-N	508.825	5.442	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1	408856477	KIWYVEMRGYUEPH-LRIZEKIPSA-N	599.687	7.231	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(Br)cc1	408859347	WAKSXFCJJUFRKP-KVSWJAHQSA-N	601.122	7.260	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(OC)c(Br)c2)c(Br)cc1OCc1ccccc1	408860024	XGFDOVNSMGHGML-XODNFHPESA-N	641.154	6.724	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408861686	FNBNZDUIONEIKK-WKULSOCRSA-N	567.882	5.206	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408864980	BKEGDQQHTPONND-VQWGYEAZSA-N	767.529	8.811	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4cccc(Cl)c4)cc3)cc2)CC1	408869891	SMLIBCIXBHAIJH-FADJLKOXSA-N	569.105	6.014	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408889620	HXNGRIXKOJTXTD-GZTJUZNOSA-N	561.841	5.733	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Br)c2)cc1	408891528	RZDLPIITUJVZKJ-DEDYPNTBSA-N	540.255	6.899	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccc(C)cc1	408893368	FHQUICAPIHRSGE-GIJQJNRQSA-N	556.800	6.452	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc(C(C)(C)C)c1O	408893804	HSITVMHSQAQIJB-HNSNBQBZSA-N	521.101	7.303	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC(=O)c1cccc2ccccc12	408897176	WSTUXUVDYGTKEU-RCCKNPSSSA-N	507.502	5.830	50	40	KKGB	
O=C(N/N=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1	408904745	NYDUAUOQKSOWGP-FDVSRXAVSA-N	544.361	6.600	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408904760	OFZKKSDFEFAGFU-NVJOKUIPSA-N	608.262	5.841	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccc(Br)cc1	408951727	MNLFBPBITMRROX-XYGWBWBKSA-N	570.487	6.512	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(OC)c1	408953671	XSQKFZPRRMRWPA-JGCGQSQUSA-N	673.191	5.966	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(I)c2)c(OC)c1	408957545	UVPIBKCUPMOHLP-VVYBVRPNSA-N	858.855	5.857	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1cccc2ccccc12	408965481	HQUQPQIZYKJULD-KPGMTVGESA-N	546.396	6.355	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1	408969671	RTABSFFXWBSEEU-WTXCFUDVSA-N	669.005	7.270	50	40	KKGB	
CCc1cc(C)cc(OCCOc2c(Br)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2OC)c1	408974133	XOAFHAODFNLZMN-XKZIYDEJSA-N	537.410	6.759	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccco3)c2-c2ccccc2)cc1	408994159	GQCFWIZAXRXGIA-QXPFVDMISA-N	503.558	6.345	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409010188	AWFBAIDIHYAZRS-ASQZEAEWSA-N	662.445	8.060	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1cc2cc(Br)cc(I)c2o1	409010386	KGOCJKXHMPRFBH-KKMKTNMSSA-N	593.190	6.282	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	409011084	DNDQBWNZJAUNPE-RBXIXZIWSA-N	692.596	6.737	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1ccccc1	409013232	MOGZQUZNHUFULA-KVSWJAHQSA-N	731.122	6.756	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409016186	UXVXSDMKRIIBRB-WXMAUWIXSA-N	708.561	8.112	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OCc1ccccc1Cl	409044349	CGLFTCRPULURJX-RPPGKUMJSA-N	595.777	5.300	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1Cl	409052476	TZFBISQGLDPUIN-LUOAPIJWSA-N	571.096	7.170	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cccc(Cl)c2)cc1	409130717	XPDLVWUQNRKERD-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1	409161268	LWBDLLORSAXFGW-XKJRVUDJSA-N	516.381	5.262	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2F)ccc2ccccc12)c1ccc(OCc2ccccc2)cc1	409179028	MNYSTNYIICPOID-QXUDOOCXSA-N	504.561	6.901	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	409184087	FABFLMOPGIZGFB-IPPBACCNSA-N	584.909	5.541	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)c1	409186219	ZBDKHXKGZYHUJC-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1cccc2ccccc12	409188210	XMYHGEVHDXUZEI-GXBUFBABSA-N	534.612	7.065	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4cccc5ccccc45)C(=O)[C@H]23)c1	409218469	IZQSJXPXKRZJQK-DZGBUZPESA-N	577.640	5.815	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1ccc(Cl)cc1	409224842	MKRAQMOUBPNSEP-WVLDPRMZSA-N	576.996	5.215	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)c2)cc(OC)c1OC	409227658	ZZDQEVNDZCAVAQ-UHFFFAOYSA-N	567.598	5.256	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl	409245192	OUAZHLPZKHDGKI-HAHDFKILSA-N	509.433	6.627	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409269076	DPYCOLZAQCESIU-KOKCXWAISA-N	745.643	7.955	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1	409271464	LGPGVBXICMVMCM-WQRHYEAKSA-N	569.253	6.083	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	409312322	KSTGIAUUPXTGII-OHUYPAJKSA-N	558.034	6.017	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409314288	FQMISWGPUUUKAB-HQDYHJHZSA-N	588.060	6.026	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)ccc1OC	409320151	PJCIHPDLHAKZJH-NUJZUDFISA-N	530.408	5.491	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)cc1OCC	409320427	BEGOXNPTRGAQEN-MWLSYYOVSA-N	590.312	6.742	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409363668	MACDOYOGJNHNNV-YBFXNURJSA-N	507.949	5.668	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl	409371056	CTXGWTMTFVAKKC-VYYCAZPPSA-N	502.354	5.572	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1cccc(F)c1	409371723	LGVPVCKORPCRRP-MFOYZWKCSA-N	503.286	6.221	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)[nH]c2c1	409389816	APVXGUINROTRHV-JWGURIENSA-N	547.684	7.236	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409390312	CJUQCYWDBQQPGH-XAZZYMPDSA-N	740.177	6.953	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409395757	RJDAPSXNJDCTCG-UHFFFAOYSA-N	640.843	8.253	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396337	MDWHNEWHJRMXMJ-UHFFFAOYSA-N	601.581	7.244	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(Br)c4c3-c3ccccc3)cc2OC)cc1	409397959	PTMMLYDFEBQRQN-UHFFFAOYSA-N	628.479	6.606	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409399030	XOESVFSHVMTBAD-UHFFFAOYSA-N	653.398	7.441	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409399362	ZXNUPMRTAICJCH-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409404761	QXMMEYMLVIZYPQ-KMUKQRDJSA-N	612.524	7.680	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c([N+](=O)[O-])c3)o2)cc1	409404766	QXONITBUAPBIEI-ZMGVVAQMSA-N	596.556	6.034	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Br)c2)=C(C#N)[C@H]1c1ccccc1	1276348	DVUHFKBKFJSAMM-HHHXNRCGSA-N	589.515	6.164	50	40	KKGB	
O=C(COc1ccc(Cl)cc1-c1ccnn1-c1ccccc1)N/N=C/c1nc2ccccc2nc1Cl	2150557	AQTWLJIIEHWPSV-WKULSOCRSA-N	517.376	5.318	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1Br	3115436	WRSJMXWDIALJAE-ATKNFYHNSA-N	569.455	6.133	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Cl)cc1	4196353	GIAQXYAXCWXZQX-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	6445766	FEUWOSJCNTXMPH-JCTDHXFVSA-N	561.041	5.189	50	40	KKGB	
CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccco3)cc2)c(Br)c1	8385599	JQIJEJQSDAMXRW-FJUSIBRTSA-N	660.403	7.666	50	40	KKGB	
C=CC[C@@H]1S/C(=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)N(c2ccccc2)C1=O	8828091	NXCXMZIQJOSTAU-GHIWRQRASA-N	507.040	5.786	50	40	KKGB	
CC(=O)Oc1ccc(-c2ccc(/C=N/NC(=O)NC34C[C@H]5C[C@@H](C3)CC(c3ccc(C)cc3)(C5)C4)cc2)cc1	12559684	ONQDCKYXKQMHNO-SMMPPYDVSA-N	521.661	6.511	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@@H]1c1ccccc1Cl	20029013	HZYSGFUSKHJNRH-VWLOTQADSA-N	526.058	5.214	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c1	20243697	BHDOXNHJCINQKP-RPPGKUMJSA-N	504.881	6.369	50	40	KKGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	33353177	VCESIXDTACSYOM-HCNMGLPWSA-N	559.417	5.129	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2C)c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1	97962954	BNNBQYCZALMCAT-BFGIPYBGSA-N	556.684	5.946	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1CSc1nc(C(F)F)cc(C)c1C#N	97965682	DQSBSKRBLZSCCY-ROPCREHHSA-N	538.664	6.557	50	40	KKGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CCC3)c2ccccc21	98007209	FRUFGKWSRANKEJ-HHHXNRCGSA-N	594.644	5.285	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)CC[C@@H](O)c3ccccc3)c2-c2ccccc2)cc1	100211751	KGHCBIYCTOLZRN-GWMCIFEMSA-N	571.677	6.952	50	40	KKGB	
CO[C@@]1(C)O[C@H](CP(c2ccccc2)c2ccccc2)[C@@H](CP(c2ccccc2)c2ccccc2)O[C@]1(C)OC	100731422	RSCYVRLLTJPYTP-WZJLIZBTSA-N	572.622	5.761	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1	100858719	OXTFSIOLLMMQAX-RWPZCVJISA-N	575.319	6.636	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1	103755024	KGVNRJKEHGXZRJ-XKZIYDEJSA-N	552.412	6.431	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	103883490	UTDWXBNNJVQWFS-JCMHNJIXSA-N	577.435	5.201	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(C(C)C)cc2)cc1	103896568	GNACGGDAGLIQGT-HNSNBQBZSA-N	577.150	6.525	50	40	KKGB	
C[C@@]12CC[C@H](OC(=O)Cc3ccc(N(CCCl)CCCl)cc3)C[C@@]1(C)CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@@H]12	104187488	NVRRKGOJPMOAEG-OVNZMADNSA-N	577.637	6.726	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1ccco1	112254518	PMSXTRUNGSVJNO-DOSGIIKKSA-N	537.575	5.399	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)C[C@@H](C)I)CC[C@]4(C)[C@H]3CC[C@@]21C	118913434	RPNZXKGKNPDEGJ-SENADXEMSA-N	582.651	9.153	50	40	KKGB	
CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341176	FRIRVWCSPOADIF-SCSAIBSYSA-N	702.080	8.870	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342128	OEZFEAHVGXHZKL-UWTATZPHSA-N	892.044	10.928	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)c(C)c1	216040508	WKRPWPHREUJEHD-LQNQUEJISA-N	501.424	6.491	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCC(=O)Nc1cccc(C)c1	408580302	OBUAJXCWEXACIV-VCHYOVAHSA-N	607.275	7.387	50	40	KKGB	
O=C(NNc1ccc(OCc2ccccc2Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408602563	DSPBJZQPDQAFRP-INIZCTEOSA-N	549.252	5.831	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F	408606721	AJWUHRGYAARLKE-LUOAPIJWSA-N	539.188	5.563	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1	408676921	ANRJGYWZRJFSMA-VBTYURRXSA-N	614.707	5.177	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)c1	408743514	ASVZGUPWVOIBJL-NTFVMDSBSA-N	519.689	7.506	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408747139	ZZRFCRKKQCFTJH-BKUYFWCQSA-N	592.287	7.498	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1cccc2ccccc12	408749670	RYQNNICTMMEIPG-WKULSOCRSA-N	568.265	6.716	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408749756	TUFQAQYMJKXIKE-RPPGKUMJSA-N	572.264	5.605	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OCc1cccc2ccccc12	408750275	ZBIAQEVJDZYIBD-HNSNBQBZSA-N	600.456	7.339	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408764138	RYFXOXVLMIFUJX-WQRHYEAKSA-N	559.201	6.178	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408766061	YZRNHZYHMWTOGU-APSNUPSMSA-N	566.666	7.543	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408766644	WFASKCSGLTXYGM-PTNGSMBKSA-N	516.178	6.521	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408771480	HIJIZDDPENMVIH-OVVQPSECSA-N	548.890	5.455	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408773714	SYVBVILKPORZTJ-STZFKDTASA-N	618.302	6.433	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2cccc(C(F)(F)F)c2)cc1	408776591	WPPWQIMBJQONLK-OKCVXOCRSA-N	517.573	5.483	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408793228	DNLJECVHAWJSFI-YBFXNURJSA-N	604.284	7.066	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408796918	QJLUJGHKEAHMMU-OEAKJJBVSA-N	652.770	8.569	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccc(Cl)cc1	408797519	SAVUFURLYZOWQQ-UDWIEESQSA-N	616.839	6.255	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408820959	AWJVJWVRLLCPNR-ZMOGYAJESA-N	652.372	8.777	50	40	KKGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	408825667	BKZCVYIEZGWKSA-JYRVWZFOSA-N	551.308	5.406	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1OC	408828615	IDSQYRXJEKHSEL-QNKGDIEWSA-N	576.535	6.241	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)cc2)cc1	408828677	NMHFWRYLAPAYFQ-XHLNEMQHSA-N	524.620	7.852	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2cc(Cl)cc(Cl)c2)cc1	408832475	YXDLGJFKUKAYTQ-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)c3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408836123	ZITBXGZRAGKDHM-OKCVXOCRSA-N	556.471	6.050	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408843289	SKYVLQMRSBUVNM-AABVJFSESA-N	695.394	6.828	50	40	KKGB	
COC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408852228	DVSSDIKMBKEOCW-LQNQUEJISA-N	593.421	5.373	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc2c(c1)OCO2	408852959	OQIZBXQDJHWJMY-FXMZOFOKSA-N	602.235	6.038	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408852981	XWXQHROJKRLULB-NVJOKUIPSA-N	602.235	6.008	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408859909	VIXNZRKGKOLQKL-QXUDOOCXSA-N	651.141	5.110	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2cccc(C)c2)cc1	408861461	AVWQVYPELBWPRI-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)ccc1OCc1cccc(Cl)c1	408862498	KMPFHTIGNXZOBF-ALQBTCKLSA-N	626.562	6.701	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)c2C)cc1	408863413	NXMAPPZOTJVEHT-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1Cc1ccccc1Cl	408870484	FIOXJRUNGBMCLH-LZYBPNLTSA-N	506.216	7.445	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)n1-c1cccc(Cl)c1	408873390	QIVORVJRGUGKQD-IPBVOBEMSA-N	564.882	6.259	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408901071	ZVSVSTGPDITYES-MHWRWJLKSA-N	503.363	5.315	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)c(OC)c1	408957223	SUHVNRLPAOYBEQ-LOMSXHPKSA-N	760.436	5.528	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1	408969395	NCTDBMGQXHTECC-LFVJCYFKSA-N	535.040	6.294	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3cccc(F)c3)cc2)c2ccccc2)cc1	408978039	GTPFKRXYVGPLSN-XIOXGIFKSA-N	545.636	5.273	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408984652	SIJDFOBMFYAMIL-IUXPMGMMSA-N	536.242	7.742	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409007520	XINJUNLWYSBUEL-BLCSBTOLSA-N	628.295	7.902	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409013218	MIGUGAFPZIMOIS-QFDQHJFZSA-N	722.588	8.502	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCC(=O)Nc1ccccc1	409013286	MRUZRKWGYMROAB-XKJRVUDJSA-N	774.147	6.195	50	40	KKGB	
COc1ccc2ccc(OC)c(/C=N\NC(=O)COc3c(Br)cc(Br)c4cccnc34)c2c1	409019135	IHIUOVVPFNMHOE-NVJOKUIPSA-N	573.241	5.459	50	40	KKGB	
O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12	409030110	CLEZBAGEJCBKIH-YKQZZPSBSA-N	533.500	6.274	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OC	409031779	BCHBWTLZCZWPSD-RWPZCVJISA-N	598.466	6.330	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409035655	JYBFTGXBMOPGIG-CCVNUDIWSA-N	583.253	6.269	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4cccc(Cl)c4)cc3)cs2)cc1	409036998	SDKDWVJJONSAJN-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)/C=C/c3ccccc3)cc2)cc1	409037456	NQMIODSPWRHXFQ-PQSGWSMWSA-N	545.595	5.341	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	409052198	GQERRMOJXCYJDM-FJEPWZHXSA-N	537.841	6.916	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	409127740	RCQZFROJGYKSBT-OCSSWDANSA-N	691.389	5.807	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12	409181412	CMOLRWNIBDOMAW-LFMBBGISSA-N	611.701	6.889	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)cc2c1	409189926	NRDCCQXMINOAFQ-FTCYSYDXSA-N	596.692	7.897	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)NC3CCCC3)cc2I)c1	409193643	KFTFZOZIMWJQFZ-ZDLGFXPLSA-N	612.249	5.749	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccccc1	409218854	HTUMVSQUFNXWNQ-UHFFFAOYSA-N	527.964	5.584	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc(OC)c1OC	409224299	JWAQVSSXRVETHR-UHFFFAOYSA-N	588.016	5.601	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC	409225114	PAMUDCVRRBASOW-CPPBNWCQSA-N	669.603	5.164	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)n1	409229194	LAVQCJJAIUKKOR-XAZZYMPDSA-N	568.530	6.629	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1cccc(C)c1C	409249923	JVFMYTPBXFWFHG-IZYHBKOJSA-N	640.165	7.614	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)ccc1OCc1ccccc1	409254047	CPOPYQGSPYWCHN-RGXNXFOYSA-N	523.589	5.446	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccccc1Cl	409260691	USZULUQWDOYBCO-VZCCZUBFSA-N	556.844	5.193	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccc(Cl)cc1	409271999	XIFRQPBTZPQKHZ-DLCNMLRHSA-N	660.981	7.751	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409314405	GAFZCBHLXXEZAE-UHBFCERESA-N	622.887	6.484	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409319770	LMYPVKNJNONZBK-FDVSRXAVSA-N	608.860	6.094	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1OCC	409320805	CKGRZAIHBNIVNX-RHANQZHGSA-N	509.990	5.309	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1OCC	409328024	YEZZOLXXGGILMF-UHBFCERESA-N	514.981	6.018	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OC	409368823	OCQCLGAGSFAQTH-ZSOIEALJSA-N	531.131	5.367	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Cl)c2Cl)C2CCCCC2)c(C)c1	409369433	NNRDMVGERQYDSK-VYYCAZPPSA-N	510.487	5.392	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(I)cc1	409373427	SEZMHUZNAMZSHU-VYYCAZPPSA-N	593.805	5.523	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409394753	FKGSRVWTQVTBNB-UHFFFAOYSA-N	740.246	8.504	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395020	IWVWRLJAVRABAX-UHFFFAOYSA-N	676.181	9.194	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)cc1OCC	409395253	LOGYPEVZCWZOAO-UHFFFAOYSA-N	733.457	8.703	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409395701	QTVILYYDAWHKOQ-UHFFFAOYSA-N	537.019	6.537	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)c1	409395906	TVRBJZJEIHKXDM-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1F	409400418	CXWSSKPFZFPOCX-UHFFFAOYSA-N	646.513	7.519	50	40	KKGB	
CC(=O)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409400887	FUJJVBQHRSGDIZ-CPDSRJINSA-N	723.305	6.165	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(F)cc1	409402098	VGIOVANGMWMJTA-UHFFFAOYSA-N	567.617	6.757	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c([N+](=O)[O-])c3)o2)cc1	409406943	YESCAWZFSNUTGS-QMRORBIVSA-N	643.052	6.869	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409407291	ZHAJWGQFVSIITA-MUKWFXSPSA-N	529.593	5.360	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2cccc3ccccc23)cc1Br	1529547666	NXFCDFFXYUJSTA-MTYJQCMISA-N	717.642	6.075	50	40	KKGB	
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCOCCOCCNC(=O)COc2ccc3c(c2)CCCN3C(=O)CCl)c1	1777699072	OKJBKEQXKMMRPL-WVILEFPPSA-N	949.539	6.382	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1	1827977	DAVDBTXHOFPETR-RWPZCVJISA-N	526.449	5.882	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1	3664557	BCYZFOZQHMVIRP-DFKUXCBWSA-N	525.630	5.411	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(OCC)cc3)C3=C2CCCC3=O)sc2c1CCCCC2	3666724	YHHPJBVRDBMDJC-VWLOTQADSA-N	531.678	5.897	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1	4047921	YFQDKNPMYABATA-MWAVMZGNSA-N	560.613	8.418	50	40	KKGB	
C[C@@]12CC[C@H](OC(=O)Cc3ccc(N(CCCl)CCCl)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12	5389770	JMZJBCNHUJOLER-SDINXNHKSA-N	563.610	6.336	50	40	KKGB	
O=C(N/N=C/c1cccc2ccccc12)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1	6144469	YAJVKTDAJHMCKX-WPWMEQJKSA-N	596.737	5.328	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1[N+](=O)[O-])N2	6445646	WBPSLDSHGDXHBE-AAKLWPEZSA-N	525.970	6.240	50	40	KKGB	
NC(=O)N/N=C(/Cc1nc2ccccc2nc1C/C(=N\NC(N)=O)c1cccc2ccccc12)c1cccc2ccccc12	8655387	JEGUKKYEDLCLGI-IHQGOOSRSA-N	580.652	5.166	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1	8812840	WWVYESAZMAZODB-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Br)cc1	12562706	SMUFDFKVBMAZQH-ZVHZXABRSA-N	506.809	5.057	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	13175315	QTWGEWCVFUBOFU-RUZDIDTESA-N	522.070	6.176	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N=C(O)[C@@H]1C#N	17016220	ORXQUJNFRGTZIG-UTKZUKDTSA-N	511.401	5.148	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cc(C)nn2-c2ccccc2)cc1	34782813	CWBSCQQUBWNWBB-NKFKGCMQSA-N	500.562	5.588	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1Cl	59305303	JHFVPMMOUGUWBI-UVHMKAGCSA-N	513.775	6.200	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	59646795	VGZRJFFOOXYKCC-DPNNOFEESA-N	617.083	6.217	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2c[nH]c3ccccc23)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	97979239	TYGFDUSORBOPRG-VCHYOVAHSA-N	525.914	6.581	50	40	KKGB	
COc1cccc([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CC(C)(C)C3)c1	98006081	ZFTFLWXKAIBIPJ-HSZRJFAPSA-N	597.688	6.799	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)o2)cc1	100211225	QGWHXYGPLHZQHV-DPNNOFEESA-N	599.587	5.488	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100239772	XEMZZQXBYYKEPF-FMFFXOCNSA-N	572.731	5.764	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c2ccc(C)cc2)cc1OC	100303964	FPBSIEMPCGVJHV-MWBNBJEGSA-N	628.673	5.784	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OCC)c3)cc2c1	100378015	QROSYCMYGGLXRU-MNDYBZJGSA-N	555.400	6.475	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1	100952694	FLZVZBIYBORKTA-JAIQZWGSSA-N	603.254	5.865	50	40	KKGB	
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1	101380502	NTGFKZAHPCMHRK-IBBHUPRXSA-N	581.451	6.063	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCC	102957754	DJWCCEILKJERKL-NTUHNPAUSA-N	541.729	5.196	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1	103885636	URIAMZWFHVITJE-ZDLGFXPLSA-N	561.217	5.781	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)O	103890563	VKGZKUAWRLHALZ-SDQBBNPISA-N	561.159	5.006	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@@H](CCI)[C@@](C)(CCI)[C@@H]3CC[C@@]21C	104131306	KXOSGSAMSSIDCR-QRDISTMWSA-N	626.489	9.574	50	40	KKGB	
NC(=O)N/N=C(\Cc1nc2ccccc2nc1C/C(=N\NC(N)=O)c1cccc2ccccc12)c1cccc2ccccc12	104241373	JEGUKKYEDLCLGI-NXRKLTDKSA-N	580.652	5.166	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1	105049738	DNSTVHLMEHVNJB-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
CSSCCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H]6C[C@]67C5=CC(=O)c5ccccc57)cc4c3)cc2c1	150595346	LMJIHUHQBTUVRR-QGFSVNGOSA-N	647.782	6.735	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)F	169795483	UOLGLNAEYPHRPE-PMACEKPBSA-N	670.342	10.740	50	40	KKGB	
COC(=O)c1cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1	197901314	DGYIOKNASZQETF-UHFFFAOYSA-N	644.960	7.351	50	40	KKGB	in-vitro
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1	216044512	FSQMSOBFFHOXNF-FDVSRXAVSA-N	529.862	6.390	50	40	KKGB	
CC(=O)[C@H](/C(=N\NC(N)=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	245240237	OWHOMSYXRWWYIM-YEMCUOIPSA-N	563.780	5.496	50	40	KKGB	
O=C(O)c1ccc(Cn2cc(/C=N/NC(=O)c3cc4cc(Br)cc(Br)c4o3)c3ccccc32)o1	408543124	PESJTAHXDKNADQ-YPXUMCKCSA-N	585.208	6.016	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(-c3ccccc3)[nH]c3c(C)cccc23)c(C(=O)OCC)c1C	408546372	INCSPVFDARNBKY-RCCKNPSSSA-N	540.641	6.585	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(I)cc1	408552002	QYWCRPKANGVQNK-CFRMEGHHSA-N	657.289	8.091	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408553014	UHTFIPBERJKKMK-NCAUGAEKSA-N	556.189	5.990	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1cccc(F)c1	408568172	IFQLKHFDPMRJDX-FJEPWZHXSA-N	605.551	6.574	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408570162	SGBMVAHMSCPSBF-WKULSOCRSA-N	588.107	6.234	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1cccc2ccccc12	408598451	ASNNKVLXKLQRDO-HNSNBQBZSA-N	559.504	7.641	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)cc1	408711850	NKEIAIGAKXMUKL-MUFRIFMGSA-N	592.861	6.014	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccccc1Cl	408725492	QCMINASMXYREOD-UOTKMIPNSA-N	505.840	5.967	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(I)c1OCc1cccc2ccccc12	408749046	KMFMHBOINNCMHV-KBVAKVRCSA-N	594.449	6.503	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12	408753455	MWCYJEYSFWCBQJ-NNLKUIAGSA-N	575.624	6.831	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12	408754436	NKCKZWVTWXWIKX-RWPZCVJISA-N	534.366	5.862	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1cccc(C)c1	408770929	CMGYSJJFCNCXCD-GRSHGNNSSA-N	504.368	5.009	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccc(C)cc1	408775143	OJGIMSOKHLYDLQ-UUYOSTAYSA-N	552.412	6.350	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(OC)c1OCc1ccc(Br)cc1	408779814	LEBMMKGULOXWQE-IWIPYMOSSA-N	561.476	7.098	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(C)cc1	408815732	RXIYVKKIEGBZAF-NDENLUEZSA-N	556.375	6.262	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1	408824380	IEESNXOGEJVOKM-NNLKUIAGSA-N	735.284	5.982	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cc(C)cc(C)c2)cc1	408826978	DWSDIAYHILAFES-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
Cc1nc2sccn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408829587	MXHRDBWBJXTSGL-MBTHVWNTSA-N	568.080	5.106	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccc(Br)cc3/C=N/NC(=O)c3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3)sc2c1	408838054	BSGVGBJUCWWICY-YLYVUXRMSA-N	737.484	9.729	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1	408839426	SBAADOIYTVLNOM-KVAAJVFYSA-N	603.531	8.212	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Br)cc5)c(I)c4)cc3)cs2)cc1	408845267	PUMLGCIKUAMEIT-KVAAJVFYSA-N	723.434	8.572	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc([N+](=O)[O-])c1	408852503	GQEPOXDYLGBEFT-ZMFRSBBQSA-N	524.327	5.455	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408853085	PPOFTHZCZDZJFW-LZYBPNLTSA-N	505.760	6.919	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	408871365	XWMLANNTRNIBDD-FQYGQZBOSA-N	649.169	5.259	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	408872880	KPDUSQFTPQREBD-XSFVSMFZSA-N	506.911	7.637	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)cc1	408874432	BIZKTNLDWUIQJZ-KBVAKVRCSA-N	570.498	6.722	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408888805	AYFWVHSZXJESPX-RQZCQDPDSA-N	601.797	6.442	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Br)cc1Cl	408890680	XNCALNXKFIVTIE-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408891777	VFZIHOSXBVZECG-LGJNPRDNSA-N	624.229	5.704	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2)cc1	408893140	FSANRXPJXKRMLI-MHWRWJLKSA-N	512.305	5.675	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)cc1	408899544	QFRIIJCAUBKKLM-XSFVSMFZSA-N	525.388	6.303	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1	408933987	CCOPVYRQUDPKLX-IPHFVPNQSA-N	563.057	6.888	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCc1ccc(Br)cc1	408948987	QDJOFWHDMIFUJQ-NDEPHWFRSA-N	793.478	5.526	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c(OC)c1	408953501	LWMDSUGBTQLUQJ-FKZKYSLJSA-N	869.407	5.112	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc(C(=O)O)c1	408956109	YQKQQDFPQCDFIK-MUXKCCDJSA-N	584.366	5.477	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)c(OC)c1	408958710	ZZTJXWRAIPJUGN-PDQWDMBESA-N	811.855	6.015	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408983568	MKCQBFMCYJFURY-APSNUPSMSA-N	585.112	8.496	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1Cl	408983708	NPUWMYYSBAYXFQ-MTJSOVHGSA-N	556.287	7.918	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408993006	UMLMLVOPGMYJJZ-DFOCJDSFSA-N	703.202	7.589	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1	408997159	LHPNUFCAWJNKOG-VTNSRFBWSA-N	606.860	6.347	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409004704	BIBMJLXERSAYFG-YUMHPJSZSA-N	561.682	6.726	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1cccc2ccccc12	409019845	YKCDUSUBYKEWQH-IBBHUPRXSA-N	563.835	7.353	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1c(Cl)cccc1Cl)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409024852	IFPFYNGNMDOFOY-WBILBPDKSA-N	506.411	5.091	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OC(C)=O	409032765	DCHHNSANZXMQHH-MUFRIFMGSA-N	579.394	5.594	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1	409084996	NNYUJMBMRVWMCL-LFIBNONCSA-N	508.874	5.893	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccc([N+](=O)[O-])c5)(c5ccccc54)[C@@H]3C2=O)cc1	409180535	ZBRSNUQXBVTJTA-MQUZRIETSA-N	600.631	5.350	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409185173	SWEQZJOUGUANMK-KEIPNQJHSA-N	585.726	5.290	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)/C=C/c1ccccc1	409219564	NWGTYDCWGJTUEV-UFYCSCDWSA-N	519.557	5.330	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12	409224796	MUAGJWXROVVBFT-UDQHBFPLSA-N	721.382	6.363	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409226937	WNEUHTBSHRAZPA-ZZKFQHRISA-N	737.317	6.663	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409232615	ALSQVTHWQRMMFU-IPBVOBEMSA-N	598.350	6.383	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409236623	TZYDHKLYIJBPKC-APSNUPSMSA-N	625.195	7.263	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1	409249857	MAMIWMNOLZFMTL-HMAPJEAMSA-N	539.857	6.346	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1	409250668	XTLJPUUARUYWIB-PPDIBHTLSA-N	632.186	5.446	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1C	409257285	PTBJZMNKIAGMQA-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	409317560	VJEPAYTZIWDBIR-UCMJSZAQSA-N	653.551	6.357	50	40	KKGB	
Cc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1	409322127	KQUPCTIACQKRIU-QGZVFWFLSA-N	549.288	5.539	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Br)c2)ccc1OC	409324830	VTQHKQQKDZSTTF-VYYCAZPPSA-N	501.352	5.338	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(I)cc2)c(I)c1	409370967	AUGZXPPDXCHPDN-MXAYSNPKSA-N	641.203	5.076	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccccc1	409388029	ZVNQPMJRNAKUGM-MZJWZYIUSA-N	601.422	6.156	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409395641	QDXWGQPFRQCKKM-UHFFFAOYSA-N	507.977	6.780	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409396898	CQFXWHZLFFPNFL-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397623	LZNJCNTVIJBAQB-UHFFFAOYSA-N	626.418	8.152	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4)c([N+](=O)[O-])c3)o2)cc1	409402939	LLDMJURJIOOEIN-HQDYHJHZSA-N	599.043	7.171	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	1529547662	NTWZWIALKZCJEJ-RQQSEGDXSA-N	860.512	6.513	50	40	KKGB	
COc1ccc2cc([C@@H](C)C(=O)OCC(=O)OCCCCCC(=O)OCCCCBr)ccc2c1	2060999999	MLUSWXHHWMGPQC-LJQANCHMSA-N	537.447	5.317	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)nnc2-c2ccccc2)cc1	1813077	RIYIMVVJGHHLRE-STBIYBPSSA-N	509.591	5.044	50	40	KKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CCCC2	1883852	JYWKEWCGPNSEFA-GHRIWEEISA-N	554.024	6.951	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1	2705884	CZWZLAXZOXSUCS-LGJNPRDNSA-N	572.282	5.153	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	3193513	PSOWLVBHRYKPEX-PGGKNCGUSA-N	591.481	6.417	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(O)c(OCC)c3)cc2)sc2c1CCCC2	6167012	HFHZCCANVSEBHB-NNSKLCRTSA-N	579.675	5.078	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1F	8809572	URQRZQUBKZGDSW-DEOSSOPVSA-N	518.614	5.169	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(\CC)c3ccc(OC(F)F)cc3)cc2)cc1	12555313	IDYYIEUBSLQZCZ-WEMUOSSPSA-N	517.554	5.032	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	20082328	GAAUBKSZINJINC-RUZDIDTESA-N	508.043	5.754	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(CC(C)(C)CC3=O)N2)cc1	20347650	HWVWFRHVZWQUKX-XMMPIXPASA-N	502.596	5.340	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(I)cc3)c2)cc1	20764618	ZDIDSNRBTZFEHD-MFKUBSTISA-N	500.336	5.033	50	40	KKGB	
S=C(Nc1nnc(S[C@H]2C[C@@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)s1)Nc1ccc(Cl)cc1Cl	95671289	KBDJPLYFZFRYTB-VUKOWNLVSA-N	601.448	6.782	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	97961229	ACTDVGHHEWOOOC-VWLOTQADSA-N	579.545	6.526	50	40	KKGB	
COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2F)nc1-c1ccc(OC)c(OC)c1	97965804	PCTAXGIXRUNTDC-XDHOZWIPSA-N	546.580	5.148	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048772	WBXKAOWVAACFPK-MHZLTWQESA-N	561.063	5.761	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	100042341	GSFBVMZLRDVWDK-ORXHERTNSA-N	548.382	5.903	50	40	KKGB	
Cc1ccccc1N1C(=O)[C@H](Cc2cccc(Cl)c2Cl)S/C1=C(/C#N)C(=O)Nc1ccccc1	100988759	VFLGSBRRTHXTHJ-VQGOXPAXSA-N	508.430	6.367	50	40	KKGB	
Cc1ccc(C(=O)N/C(=C\SCC(=O)O)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	102579683	DISYDHHYHVJDEJ-SGWCAAJKSA-O	512.591	5.336	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)c(OC)c1	102808556	RKIJYJGDVKFYCD-MUUNZHRXSA-N	575.090	6.064	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)NC(C)=C2C(=O)Nc2ccccc2)cc1OC	102809357	ZKVRFVUDIHRGRO-GDLZYMKVSA-N	554.672	5.719	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	103884069	FNTVOZFIZNNYBJ-HAHDFKILSA-N	591.462	5.591	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc(C)c1	103890559	GUFCZEAPVHVVIO-ODLFYWEKSA-N	607.275	7.430	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F	105475490	LWNOGGPIFBUSDK-KKMKTNMSSA-N	521.770	5.358	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(C(=O)OCC)c1C	107671259	UMORZXDDSXMXQC-YBFXNURJSA-N	573.498	6.843	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342221	KHFIOYFKKGZVQO-REOHCLBHSA-N	792.030	9.658	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)ccc1I	164584857	LCLMFJBAXIASRH-FZPRHHONSA-N	666.585	6.972	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2OC)ccc1OCc1ccccc1	408537894	HTUIPFJPSWIQEO-CFRMEGHHSA-N	600.027	6.969	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	408539696	YBLQRSNNILQJAN-WJDWOHSUSA-N	540.683	7.370	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543275	PZOCQTGZRAHVDN-BIZUNTBRSA-N	541.604	5.419	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCC(=O)Nc1ccccc1	408549925	BQTHAJZSNRRUBC-OYKKKHCWSA-N	574.418	6.925	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1cccc(C)c1	408566681	AWZPDXHSACGPHT-OKCVXOCRSA-N	648.588	6.585	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccc(C)cc1	408569469	NZWRQUDMYOHEHG-OKCVXOCRSA-N	601.588	6.743	50	40	KKGB	
O=C(NNc1ccccc1OCc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408603687	GUTYGTTZSFBHGY-INIZCTEOSA-N	504.801	5.722	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408671247	KGAHRVLMSVZFPH-VPUSJEBWSA-N	642.289	7.698	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408671405	KWMFUVPXUBVJNN-ULAZLLGUSA-N	574.191	5.384	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1ccc(Cl)cc1	408726776	UNLVTQAHASCDBB-OVHUDYNESA-N	552.840	5.809	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408730983	IEIUFTNNZLQAQA-GWPLEXMSSA-N	737.701	11.462	50	40	KKGB	
COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1I	408734547	HSWSYFDYGFRXSN-WUXMJOGZSA-N	578.575	5.412	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCc1ccc(Br)cc1	408745788	PDKKGFURCLFYCV-HAHDFKILSA-N	517.423	6.619	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747645	QYBRYLMHOAGPQC-SXGWCWSVSA-N	628.091	7.485	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(C)cc1	408749717	SGZKRDCUIMLDIY-DHRITJCHSA-N	582.270	5.060	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1Cl	408790119	TYDUKXKWSCJIMU-RQZCQDPDSA-N	580.693	7.933	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(I)c2)cc1	408790351	PDJIWBUOGVPLIA-FYJGNVAPSA-N	552.368	5.511	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	408791322	YOMXJEWXSHNTAO-UOMFLXKPSA-N	535.625	5.444	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1F	408792672	BVRBYNDWSOTIIA-KOEQRZSOSA-N	508.549	6.538	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OCc2ccc(Cl)cc2Cl)c1	408836973	XJWCKLBGAMCWBC-WSDLNYQXSA-N	628.339	9.012	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838319	DLRMMJKDKIRFPG-LUOAPIJWSA-N	653.727	7.044	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)sc2c1	408839000	LLLMVTOAEBDCLA-ATZGPIRCSA-N	613.051	7.007	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)OC	408840053	XHMJYNUWTDNLES-FJEPWZHXSA-N	565.051	5.922	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Cl)cc5)c(Cl)c4)cc3)cs2)cc1	408840705	DDZOMBZDOLLZQC-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841370	FMYVLKUWAINHLU-AABVJFSESA-N	743.852	8.917	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl	408842211	IXRVGIIGVJQQQN-IPBVOBEMSA-N	527.355	5.917	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408847947	WBCGRGFJBDLHHB-OCSSWDANSA-N	587.386	5.593	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1	408854038	WBZSGBNUKSLKOK-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408858125	JTZZOLIWNARIGT-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2cccc(C)c2)cc1	408860683	BQROEZPICDCJOI-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	408862123	CNHQHAKGGCKVCV-FMFFXOCNSA-N	608.116	6.026	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)cc2)c1	408872361	LRZSOQWWHPDGQI-VFLNYLIXSA-N	557.459	6.085	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Br)cc1	408873591	SOPODFMFUBCXQW-DEDYPNTBSA-N	510.229	6.657	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc(Cl)c1OCc1ccc(Cl)cc1	408877228	QTYQHLANNRXXRO-DPWJMMOYSA-N	656.375	7.482	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408878515	ABXAFPHQQPDLQG-LUOAPIJWSA-N	681.095	6.311	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1cc(C)cc(C)c1	408879651	DJNDCZWYXRAZLY-SRZZPIQSSA-N	586.857	7.003	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408884265	XNWNQDGAVSODBU-YBFXNURJSA-N	530.249	7.443	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC(=O)c1ccc(OC)cc1	408884363	YTCPULBOOGTOKI-GZTJUZNOSA-N	590.257	6.928	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1cc(C)cc(C)c1	408887157	OLVFDEMFLUTOAD-FSJBWODESA-N	566.439	6.658	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408891401	QCVFCPJRXBTFAK-JJKQSNDFSA-N	711.460	6.699	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(Cl)c2)cc1	408891571	SOCJIXOLDVQELT-XSFVSMFZSA-N	504.926	5.290	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OCc1ccc(Br)cc1	408893777	HOCKQKLKVPIUHF-LDADJPATSA-N	507.340	5.281	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1I	408904114	DZTAXEBPNPKASY-NTFVMDSBSA-N	543.449	6.313	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OCC	408904413	JBLHSSXHPUZJBG-MYKKPKGFSA-N	557.239	5.016	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c([N+](=O)[O-])c1	408951314	SYWIEIPDVBKJIP-HHHXNRCGSA-N	761.449	5.584	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	408954146	YPAFPXXAXFYPPY-MHZLTWQESA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c(OC)c1	408956920	RULKJFIQHYIDBF-ZBVWQCQISA-N	869.407	5.112	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c(OC)c1	408957541	UVBZQFZKZWRCHG-OEUHSVQQSA-N	635.721	5.490	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)OCc1ccccc1	409000724	FOUYSZIWFSMVQE-YHEDZMPNSA-N	589.483	5.707	50	40	KKGB	
COCc1cc(C)nc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(OC)c2)c1C#N	409008172	UVRARGQYOYBKOV-UUSDDZCZSA-N	651.764	5.431	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)c1	409014678	XYTKMFLFRRSPTJ-LLMHWMKJSA-N	692.555	8.156	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1cc2cc(Br)cc(I)c2o1	409017280	YGUWQXQPXOEBBN-AERZKKPOSA-N	598.416	5.685	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1ccc2ccccc2c1	409020681	RZZXBIQJESGVJB-ROPCREHHSA-N	703.758	8.348	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1cccc(Br)c1	409021093	XUTQZAFLMZBIOL-JFLMPSFJSA-N	569.308	5.140	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1cccc(Cl)c1	409032022	BYCWTLXXSJKDBP-FABQOPTDSA-N	647.900	7.511	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1	409045036	XSBMSSKEXYUUKW-VIZOYTHASA-N	510.179	7.564	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c(C)c1	409088464	FPIMEDBDPKSYLN-LZYBPNLTSA-N	550.320	7.875	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(Br)cc1OCc1ccc(Br)cc1	409128522	PDPBVASHPOPSAL-HXUWFJFHSA-N	546.219	5.049	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O	409137452	XKCRVCYPLISSKW-RUZDIDTESA-N	581.467	5.319	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccc(Cl)cc1	409185008	PGVAQCYMZPHAMK-RDRPBHBLSA-N	514.091	5.114	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)c2)cc1	409218706	GNMSIHVKBZBEDC-UHFFFAOYSA-N	570.443	6.301	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1ccc(Cl)cc1	409223555	IJHDCPJRSSUHTO-JIOLUUPVSA-N	582.059	6.460	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409227516	ZKXNXBDBZHXRNK-DJKOCUMLSA-N	657.477	6.391	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409228003	ZAWDYQHVDGNPOZ-FLTUVTEGSA-N	657.477	6.391	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)NCCCc1ccccc1	409238894	OFYZUVKLIHSUKN-QRVIBDJDSA-N	579.292	6.318	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409248365	FTMKGSKSNNMDQJ-MUXKCCDJSA-N	500.382	5.482	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	409249319	HJTNSPXJYXBCPY-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409251350	PKDIBCHKUCSOED-BYINCCNUSA-N	536.382	5.729	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)cc1Cl	409252570	CJUMWUXPDOCVPA-MFOYZWKCSA-N	559.247	6.628	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409262126	CTPVVQLGBRNVAU-JAIQZWGSSA-N	593.434	5.936	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409264488	KMIINVNKIGWQJF-YBFXNURJSA-N	557.956	6.629	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409265991	XIPNRHHECOPFHW-YBEGLDIGSA-N	589.671	6.428	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409267399	VKYGOQJMAFFYIS-STZFKDTASA-N	503.986	5.919	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1OCC	409302779	KJIZGYWOHJRCQT-RHANQZHGSA-N	541.442	5.988	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2Cl)NC(=O)C[C@@H]1c1cccc(Br)c1	409317678	RRGMCIALHJLZLH-CQSZACIVSA-N	555.679	5.576	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1	409373871	VSXDPMWNNAMJKH-FJEPWZHXSA-N	550.384	5.531	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	409381104	DZXFZRHVQHCEPO-LSCVHKIXSA-N	596.252	6.281	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cc2cc([N+](=O)[O-])ccc2s1	409386216	OXNVJOWCKZCVGG-YVNNLAQVSA-N	515.301	5.504	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(OC(C)=O)c(OC)c3)[nH]c12	409395308	MDAISSTWRXOXGM-UHFFFAOYSA-N	654.517	7.077	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(OC)cc3)[nH]c12	409395596	POSHENMWMJSGEH-UHFFFAOYSA-N	552.030	7.042	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397257	HYPXZLRVIXYDBF-UHFFFAOYSA-N	642.108	7.123	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398679	VDTJWTPECGNJSE-UHFFFAOYSA-N	643.052	6.796	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)N1CCOCC1	409402341	JUOZGYJNTPYCEA-KMUKQRDJSA-N	726.568	5.271	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCC(=O)Nc4ccccc4F)c(I)c3)o2)cc1	409405686	UNOQNYUHPUSNBY-ADJDCTSUSA-N	832.408	7.396	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)o2)cc1	409406112	WATBHLPXTUOXGW-RODHXAHZSA-N	622.936	8.569	50	40	KKGB	
CCOc1cc(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1C(C)C	409408703	KURHPHMZHVQYIA-CAQPMQTCSA-N	513.638	6.861	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(C)c2)c(Cl)c1	1529547650	NNEPOGHKYCCTJK-MWKDUONYSA-N	641.577	5.766	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(C(=O)OCC)cc2)c(OCC)c1	1529549064	SHMJNUBSFQOCNL-BPDSJRNWSA-N	800.672	5.331	50	40	KKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)C(O)(O)[C@H](CCl)C(=O)CCCCCCCCCCCCCCCCC	1570003200	LNXRLEUTDDEXPU-DROHULGKSA-N	641.462	11.960	50	40	KKGB	
O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1ccccc1F	2738536	KZCYFGAPAQOTAY-KBVAKVRCSA-N	510.598	5.414	50	40	KKGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c(OC)c1	2889837	PGXFEAYQRXAWMR-HMMYKYKNSA-N	500.938	5.008	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	3206204	CWQMTNGJVRAWEO-CIAFOILYSA-N	520.441	7.165	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2Cl)P(=O)(c2ccccc2)c2ccccc2)cc1	3214621	GLJCFTZXVJSUMM-AREMUKBSSA-N	530.413	6.293	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1)c1ccc(-c2ccccc2)cc1	8449601	COFYODXRFUTJEH-VYIPJDOSSA-N	637.324	5.676	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	19939573	UYQOXZOVAWZUCB-GDLZYMKVSA-N	522.674	6.318	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1	59484009	KGWAGRHAFHAFGU-UNOMPAQXSA-N	511.803	6.626	50	40	KKGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59646914	UOTHQDCDJZYYNG-HNSNBQBZSA-N	606.100	5.360	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)ccc1OCCN1CCOCC1	97944474	QUBINXBVHLIHBG-QCFMCPCVSA-N	566.702	5.683	50	40	KKGB	
CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4[nH]3)c2)CC1	97947318	NAECZGAJXQSUQN-HKOYGPOVSA-N	548.672	5.900	50	40	KKGB	
CCCCc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	97949596	UGACPOSNYWWQIK-LJAQVGFWSA-N	541.742	7.350	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1ccc(I)cc1	97980649	RWGXEFWAZGDDLS-ATVHPVEESA-N	549.384	6.559	50	40	KKGB	
O=C(c1ccc(Br)cc1)[C@@](Br)(/C(O)=N/[C@H](Cl)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97982980	MAXQFUVRYLFHQO-XCZPVHLTSA-O	748.086	8.609	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	98006245	RGKNXOJBEHJYGU-OAQYLSRUSA-N	584.605	6.062	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	98048601	WCFAIHWJXFYWFR-XMMPIXPASA-N	607.441	7.312	50	40	KKGB	
N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1F	100210200	PWICPFBBYFJJKP-FQEVSTJZSA-N	550.457	5.412	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1cccc2ccccc12	100228371	IKTHUMLCQVHWBH-OCSSWDANSA-N	527.671	6.670	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCc1ccccc1Cl	100231672	YNXICOCVPAIGGY-OAECSNGUSA-N	566.867	6.199	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1Cl	100326340	PFYQNCKZQJYBFC-YPXUMCKCSA-N	599.208	5.678	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1)Nc1ccccc1	100401879	QMUBJCOZBNCESP-FDAWAROLSA-N	530.049	6.414	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)n2-c2ccc(C)cc2)cc1	100853906	LYEBONABASJBKF-UCMJSZAQSA-N	547.684	6.373	50	40	KKGB	
Cc1cccc(C(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c3ccc(Br)cc32)c1C	101560362	SBENGTBDQOPWPB-CGJMIGHBSA-N	537.502	5.405	50	40	KKGB	
O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1	102067670	RXSIOMWUHMRCNJ-NQSUBMFWSA-N	525.624	5.415	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2P(=O)(c2ccccc2)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	103562813	RPIAYPIJMWANPX-UHFFFAOYSA-N	615.713	5.523	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	105134255	SXWPRWQARXDOBY-LICLKQGHSA-N	519.292	6.732	50	40	KKGB	
Cc1c(C)c(C)c(CS/C(=N/[C@H]2C[C@H]3C=C[C@H]2C3)P(=O)(c2ccccc2)c2ccccc2)c(C)c1C	106853075	WIUABJLTNQUZQC-IUAHHJRMSA-N	513.687	7.797	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342173	BFPXNJSBGCFJMB-REOHCLBHSA-N	742.023	9.022	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	150426880	ADJBVEBADMCKCJ-LUOAPIJWSA-N	665.096	6.854	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccccc1Cl	150477792	IGYXWQBUJVYDFE-LZYBPNLTSA-N	624.218	6.639	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	216060906	BSPAKWDKIDBAAM-JFLMPSFJSA-N	546.259	6.343	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408537188	CNJATLUVMAHBHX-AFUMVMLFSA-N	637.054	8.470	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccccc1	408538987	DBLQUNKSOGHBIA-GKVNEZTPSA-N	623.547	7.852	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408542337	KVINPQBGTLSBRH-FMCGGJTJSA-N	574.374	6.267	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccc(C(=O)O)cc1	408543907	QOPXZCQYVHXVHC-GRSHGNNSSA-N	526.286	5.541	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408552850	KVNRYMIJSJMVDG-LICLKQGHSA-N	609.477	5.972	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1OCc1ccc(C)cc1	408566476	ACDRFKHGKCCBKT-BIZUNTBRSA-N	562.757	6.709	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408568303	IWBBFNMPAWQTRW-XODNFHPESA-N	667.401	6.707	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2c(Cl)cccc2Cl)cc1	408613324	ZAIMVOCGTWWKOZ-WKULSOCRSA-N	530.408	5.459	50	40	KKGB	
COc1ccccc1Oc1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	408637653	MLKMVKQVVXNAKB-KBMIEXCESA-N	542.415	5.917	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O	408644421	RCUDBPMNQMIPIS-LJNUKXPWSA-N	557.861	5.284	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408648135	JQOFMWFSDQQILI-LVCYWYKZSA-N	537.802	5.321	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@H](Br)c2ccccc2)c1)c1ccc(Br)cc1	408687092	UFGATKUNLQQUSA-XNMGPUDCSA-N	607.298	7.246	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCC	408710889	UUACUXZQHJHVOR-FSJBWODESA-N	561.214	5.014	50	40	KKGB	
Cc1cccc(NC(=O)c2ccc([Si](C)(C)O[Si](C)(C)c3ccc(C(=O)Nc4cccc(C)c4)cc3)cc2)c1	408720524	SUCFITTWYXUPEZ-UHFFFAOYSA-N	552.823	6.349	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408750396	MIFRTXNFWMJLLD-KCSSXMTESA-N	624.329	6.185	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OCc1cccc2ccccc12	408761067	HGCTTYBJBYKLAT-CIAFOILYSA-N	686.287	7.182	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I	408791817	CXLWDUZAAGLKFE-OVCLIPMQSA-N	525.184	5.615	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798056	UNDSHSBLCAYATK-KEBDBYFISA-N	725.151	8.480	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2c(C)ccc3ccccc23)c(C)c1	408798499	FQIMFOGKKNCMRT-BUVRLJJBSA-N	525.446	7.652	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccccc1Cl	408798990	XVUHXENILVYYSF-VIZOYTHASA-N	662.536	8.139	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1	408800197	NQVWWBBVHMRNHD-DEDYPNTBSA-N	507.384	5.899	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1F	408815510	HWYHCWUMIBIBPJ-SXGWCWSVSA-N	564.636	7.129	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408826760	KSGLHZFCVSUNPX-VTNSRFBWSA-N	616.523	5.688	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2cccc(Cl)c2C)cc1	408837336	COXLIJXRQCDKEC-NLCQWKJPSA-N	633.170	5.559	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1	408839397	ROYMOGNDXBXZKR-FABQOPTDSA-N	582.081	7.407	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408840267	CZXATXHWCDKKEY-KCSSXMTESA-N	642.959	6.279	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840539	ZEHCYFVQQFSLIH-AABVJFSESA-N	743.852	8.917	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408843500	LSKNZVQFPPTFHI-ROPCREHHSA-N	645.724	7.645	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1	408844514	DIBJZMIAPRIFOA-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c(Br)cc1OCc1ccccc1	408851490	KQFUECSZDNPPGR-DPNNOFEESA-N	606.586	7.539	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cc(C)cc(C)c2)cc1	408861124	NOLHDPNLICUILR-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1C	408862703	INWZCZGSZSGEGC-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccccc1	408869198	SABYPPXWLOIIDF-PPOKSSTKSA-N	605.116	5.645	50	40	KKGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	408875490	FYMAGHFEWRTNIT-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408879492	DRUOTYIRLSNGKU-OQLLNIDSSA-N	516.724	6.320	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OC	408879596	FKXABHPDOMPAEH-NTUHNPAUSA-N	573.079	6.236	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408883360	QWOBJUUXBSIPLX-ZHDAQUIUSA-N	594.890	5.124	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2ccc(Br)cc2)c1	408885172	XMXULWIMKQIWSV-WOJGMQOQSA-N	531.328	6.601	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OS(=O)(=O)c2ccc(C)cc2)c1	408896497	RLWYVYLEVXVVND-GZTJUZNOSA-N	517.390	5.624	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccccc1	408898131	KTTNKFDMBQMCDX-CPNJWEJPSA-N	510.331	5.424	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Cl)cc1	408933335	ARLVUSWBYTUYNY-IDWIKUEFSA-N	577.084	7.196	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	408951545	USHSYTCYWWPCED-MUUNZHRXSA-N	657.576	5.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408953727	XXEGXEGVBVUNCV-HHHXNRCGSA-N	808.449	5.426	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)c(OC)c1	408956235	PZYKHHWDQZPAGF-SAPJXHNFSA-N	774.419	5.248	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(O)c(Br)c1	408969692	SBOGVVZXNFDDER-QHNAHFBRSA-N	579.278	5.107	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccc(C3CCCCC3)cc2)c1	408972617	PTFKWVVOPIUBTI-LGUFXXKBSA-N	525.605	6.954	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccccc2)cc1	408982504	YEHYOASZFNLYSC-NGUGDGFLSA-N	549.096	5.616	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1Cl	408986128	ZQZIACJSPNDCDE-IDUWFGFVSA-N	625.663	7.279	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408994893	HOMVTXFQIWCFCL-XKJRVUDJSA-N	630.164	6.936	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)cc2)cc1	408995265	BEOJZPSAEAGLMH-KCSSXMTESA-N	602.441	5.702	50	40	KKGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1	409013902	OJOPINNUUSFIDS-MIDUAYCOSA-N	541.183	5.741	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Cl)cc1Cl	409119152	RNNOHCDTWPKRAY-QHCPKHFHSA-N	576.230	6.290	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409130926	OIGQSDKIQBVPBY-HXUWFJFHSA-N	599.106	6.912	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409170821	XIJGCEHNZISNAF-XKJRVUDJSA-N	563.825	5.070	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409184335	GEOKSSFGJTYTBX-QXUDOOCXSA-N	651.141	5.110	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1C#N	409214272	WWKYGRYZAFJGPH-XODNFHPESA-N	544.858	5.804	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3cccc(C)c3)cc2)cc1	409219386	MIQPMHFLYPPTBF-MNBJERMJSA-N	536.544	5.447	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409221335	ORDIXXOSXNPDQC-YBEGLDIGSA-N	517.866	6.061	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1ccc(Br)cc1	409234124	ZBEQCRFEVIELOM-KKMKTNMSSA-N	608.356	5.839	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409239068	GDQIFNKEPTXQRP-XYGWBWBKSA-N	535.471	6.965	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	409242275	WNOFQWPEUVCIJN-QLTNSANVSA-N	539.857	6.865	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	409243342	VTPJZQPGMBDTIA-IVKFTBJLSA-N	510.037	7.111	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409255081	HAUIHUOQTRPJKW-UDWIEESQSA-N	521.976	6.058	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(OCC)c2)ccc1OCc1ccccc1	409259071	ZKQLJZGEHLSKKR-CLHYIUPASA-N	674.592	7.224	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409265282	UGSPKMINZBQLQF-QESWDSMOSA-N	609.258	5.215	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409271108	JUFDHPMSIMCEDM-YBFXNURJSA-N	615.855	6.133	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)ccc1OC	409311550	AMXOJDMVCXIQNU-CPDSRJINSA-N	560.434	5.499	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OCC	409311868	CEMQHDIGJKXEIV-LJUMEUDFSA-N	526.992	6.184	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1OCC	409333956	PVZBBMKURJBUII-MNDYBZJGSA-N	633.337	6.099	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1OCC	409334779	MYSIPRFRWVKODN-ACXHZZMFSA-N	645.348	6.265	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(C(=O)O)c1	409371268	DWNCUPMGNXWJRK-JMIUGGIZSA-N	570.339	5.939	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(Cl)c1	409372998	RQLFHBKGWUTGGO-ZMFRSBBQSA-N	555.281	5.097	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccccc1Cl	409373139	MQYAXOBXSCJZJR-WCMJOSRZSA-N	567.867	7.006	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)cc2I)cc1	409373281	GOWBTRLJEJWEKW-NDENLUEZSA-N	505.359	6.428	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl	409390345	CLWJTDBSKPDYNB-KPGMTVGESA-N	522.432	6.687	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409391499	IIFRHUWAABTDIA-GRSHGNNSSA-N	544.320	6.380	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1cccc2ccccc12	409393169	PJRHLZWKSVHBBN-QRVIBDJDSA-N	549.383	7.625	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(N(C)C)cc4c3-c3ccccc3)cc2OCC)cc1OCC	409396110	AUVYXTSSHHMATP-UHFFFAOYSA-N	634.733	7.080	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(C)=O	409396297	XNNILPASJFWQSV-UHFFFAOYSA-N	705.359	7.277	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409396694	AEOXJCURAYTSTQ-UHFFFAOYSA-N	651.344	8.204	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1O	409400580	DRAPCYRQPAFKAX-DBFSUHOCSA-N	572.843	6.160	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC	409401691	IASLUCJBMIWGKC-LJUMEUDFSA-N	580.479	6.590	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1O[C@H](C)CC	409403761	NUJSFVUIYODHDV-QUFIRZMCSA-N	564.082	7.259	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2F)c(Br)c1	1529546562	GAWFUSQARXXSEG-JYALLGCPSA-N	655.546	5.052	50	40	KKGB	
CC(C)(N)CC(C)(C)CN1[C@@H](Cl)N2C(Cl)N([C@@H]1Cl)N(C1CC(C)(C)NC(C)(C)C1)CCCCCCN2C1CC(C)(C)NC(C)(C)C1	1569985917	QMUSYDKDFQWQMN-VSGBNLITSA-N	708.352	7.253	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)n2-c2ccc(C)cc2)cc1	2284564	FCIXCKHSRKDGHR-OCSSWDANSA-N	507.619	5.652	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c(Br)c(Br)c1OCC#N	8443539	KIBALOQIENZMFA-QFIPXVFZSA-N	647.327	6.584	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)c1ccc(NC(=O)C2CCC2)cc1	8456126	QWCICXVQCRUHPX-KVAAJVFYSA-N	531.443	7.101	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1	9272129	BMIDIKMAHHDTFR-UZEPBSNMSA-N	511.603	5.237	50	40	KKGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	11024118	RFVQZGPUMFYQHO-CAPFRKAQSA-N	525.472	6.048	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1	12273776	CFOXALLTRPHDFB-IYQUHZLLSA-N	525.630	5.545	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c1C	15227425	CYPYPZMJEGJGOJ-MUFRIFMGSA-N	523.475	5.070	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	20347919	CRWNGWBAKVKTAS-HHHXNRCGSA-N	526.662	6.220	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccccc1Cl	20760822	BLXJXDRYKOGWAW-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
C/C(=N\NC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1)c1ccccc1	33382339	FZKXTOHDNUKBNT-WCMJOSRZSA-N	505.525	6.322	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1C#N	59333225	IAVFYKJXIRETPQ-XYGWBWBKSA-N	527.024	5.445	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(Cl)cc2C)cc1	59647387	RTRMSRCCGIIETO-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
Cc1c(C)c(S(=O)(=O)/N=C(\NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)NNC(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)C2	97950245	NEAUAPOUIRNJTN-HKBQPEDESA-N	763.914	5.761	50	40	KKGB	
N#C/C(C(=O)NCCNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1	97966690	RMSPYVUZBJYRHN-CPSJIENJSA-N	793.758	6.779	50	40	KKGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1I	98001449	ARIBAAGKFSFIHO-XJECJHNESA-N	775.235	6.434	50	40	KKGB	
O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)OC3=O)c1)c1ccc(Oc2ccc(C(=O)Nc3cccc(Oc4ccc5c(c4)C(=O)OC5=O)c3)cc2)cc1	98001503	PDTWOPGVQGSUBE-UHFFFAOYSA-N	732.657	8.189	50	40	KKGB	
Cc1sc([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc1CN1CCOCC1	98008208	RDTZVFNOEGVYLO-XMMPIXPASA-N	528.600	5.212	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126188	LCBQURFOFAXADW-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(Br)cc1	100130693	IALIASMSXDEMJB-OKCVXOCRSA-N	530.491	6.810	50	40	KKGB	
O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	100261137	BPQDOGVOQMEROH-VWJSQJICSA-N	586.364	6.801	50	40	KKGB	
Cc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)c(C[C@H](Br)CBr)cc12	101053251	KOKUZDLUKHUQFA-REWPJTCUSA-N	623.338	5.967	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	101566040	RHCDREHBDFFHSK-SSEXGKCCSA-N	570.114	7.028	50	40	KKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(C(=O)OCC)cc3)C(=O)N2c2ccccc2)cc1	102666585	OFVAYDRHGRBURF-HONSFURUSA-N	553.684	6.271	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	102808081	OBDPIMDNCBYJIO-MHZLTWQESA-N	529.065	6.355	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	103894881	AXKXDYNRGSTVDJ-ZCTHSVRISA-N	608.514	5.382	50	40	KKGB	
CC[C@@H](Cl)COP(=O)(OC[C@H](Cl)CC)[C@H](C)O[P@@](=O)(C[C@H](Cl)CC)OC[C@H](Cl)CC	104161192	UPLZNVXNBIYZMG-MXKIFGOKSA-N	552.240	7.855	50	40	KKGB	
C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104699032	KPGOWFYMNZDEIJ-MOQPFRFHSA-N	536.528	7.594	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918299	RHVUWCOPIAXOFJ-QNTQNTNTSA-N	565.746	10.076	50	40	KKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]([C@@H]4C[C@H]3[C@H](I)[C@@H]4I)[C@@]1(Cl)C2(Cl)Cl	150381488	LVKHCJHBNOEDKQ-YUCBAHNBSA-N	618.722	6.321	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1	150382661	VDNMSQSXBGQYHZ-XBSPSMCSSA-N	677.621	5.089	50	40	KKGB	
Cl[C@H]1COc2cc(Br)c(Br)cc2OC[C@@H](Cl)S[C@H](Cl)COc2cc(Br)c(Br)cc2OC[C@H](Cl)S1	216106011	CODOBWGRZBMPCE-FGYAAKKASA-N	845.906	9.692	50	40	KKGB	
CC(=O)OC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2	299817381	ABUHPHDFZWIMHE-YVVUKXGOSA-N	540.785	7.810	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1cccc(F)c1	408570599	XAZNDENMXGKCFP-MUFRIFMGSA-N	526.655	5.811	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)c3ccc(Cl)cc3)cc2Br)cc1	408581545	XSROPVUQEYJRCI-VXLYETTFSA-N	517.648	7.817	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408584002	ZENPYBLQFNAZKW-KEBDBYFISA-N	541.431	6.799	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	408607821	FALUATORMGUHLF-FJEPWZHXSA-N	528.436	5.795	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1Cl	408735858	XNIZHABRGCBXQG-PUHLOBNQSA-N	639.333	6.962	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	408742476	PDNAIRREQBDRBY-OGLMXYFKSA-N	560.617	7.728	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)cc1	408743614	BLVKNZOSBJXMOP-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)NCc1ccccc1	408747544	PKCKBQVCLYSDBB-NDENLUEZSA-N	573.228	5.856	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408756341	ZBMCMWYPDAZGOT-JEPNHJGPSA-N	673.670	7.307	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(I)c1	408768865	KOWTVSKWTUOKGI-YZSQISJMSA-N	626.314	5.098	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408773985	NPXHMVSDQKELLB-BKUYFWCQSA-N	648.328	6.441	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc2ccccc12	408776344	YWBALUREVMUGBS-OOAXWGSJSA-N	503.602	5.683	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N	408782664	IJRHLCZGNCUXPD-AWQXUEBJSA-N	552.900	6.267	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1C#N	408788052	AKOKNWOJWWCDMN-RGVLZGJSSA-N	536.813	6.498	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc(OC)c1OCc1ccc(Cl)cc1	408788143	IOOFGGVZPRUQII-LFVJCYFKSA-N	531.008	6.378	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408790169	UMEOBZJQJKBAED-LZYBPNLTSA-N	547.192	6.789	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408790770	YLRHDHXOMJHSQC-LHHJGKSTSA-N	743.981	8.634	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1C	408793544	FRHNPJLLTYKMKD-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408796026	OAYCDMSGMOYMEN-VXLYETTFSA-N	613.364	5.421	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccccc1F	408809618	HFQNUECKRZEBFN-SXGWCWSVSA-N	520.185	7.020	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408834416	ZIXBKGLRJRUJCV-KCSSXMTESA-N	655.958	5.466	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cn(Cc5ccc(F)cc5)c5ccccc45)cc3)cs2)cc1	408837960	AYFLZABACYARQZ-MWBNBJEGSA-N	559.670	7.768	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(Cl)cc2)cc1	408838545	XUIGZOFGANMSRL-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408839016	LRQRTBULYSNYSL-JAVCYFNSSA-N	802.899	9.982	50	40	KKGB	
O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)o2)c1	408840580	CMHDPEBDLGWNFL-FJEPWZHXSA-N	543.004	6.929	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc(C)c5)c(Br)c4)cc3)cs2)cc1	408841869	IGYAPFKLEWYCHE-FABQOPTDSA-N	611.565	8.276	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5ccccc5)c(Cl)c4)cc3)cs2)cc1	408841905	HCNZXOHVLRCLDE-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc(OC)c1OC	408843664	MQFDYYQCMOWPRV-KULFSUQXSA-N	678.550	7.469	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC#N	408847597	TVCARBTVIHDPDX-OKCVXOCRSA-N	532.025	6.272	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(C)c1	408848757	SLHRMVATYFEFGC-QRVIBDJDSA-N	544.449	6.092	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(C(C)(C)C)c1O	408849551	ZGFFJHUUHWFPEI-ATZGPIRCSA-N	561.151	8.272	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)c1	408850346	LWHBLVMVGDLXSV-IPHFVPNQSA-N	578.510	7.867	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408862066	WTSRGFORISKDOL-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl	408868069	LFXLKWQEMUNPGW-NVMFKLKSSA-N	544.789	5.762	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cc(C)ccc2C)cc1	408873436	RFEHNVIUUYEMEK-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)cc1	408875055	CBKLUASZDZYYPT-VCHYOVAHSA-N	626.800	7.487	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12	408880992	JTDCYFNGJJYUJE-DEDYPNTBSA-N	556.372	6.584	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OC(=O)c1ccc(OC)cc1	408882000	NGPHLFUBIIAXPB-ZSNJKBEMSA-N	700.614	7.301	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c(Br)c1	408885451	AEFHBZOGMAFCJD-LICLKQGHSA-N	595.118	7.952	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(Br)c1	408887905	RZNNWBISCNEYFX-LICLKQGHSA-N	595.118	7.952	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccc([N+](=O)[O-])cc1	408893698	HRRFHVRJJYGTKP-XDHOZWIPSA-N	615.278	6.952	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408904277	HKGSZIBBNCERHI-ACXHZZMFSA-N	542.979	6.745	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc4ccccc4c3)c(I)c2)ccc1Br	408904604	MCCZQHZUSGLDFZ-FDVSRXAVSA-N	614.281	7.250	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	408922630	FPRDFPDSYHBVSC-GHRIWEEISA-N	530.389	5.265	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)c(OC)c1	408923658	JXGDEMZNDIYJPR-MOEPSENCSA-N	777.410	5.361	50	40	KKGB	
O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	408974611	FMOBSFIFXYMNHQ-IPBVOBEMSA-N	533.778	5.169	50	40	KKGB	
CNc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1I	408989658	UVXNIGDEIDLNMD-WUXMJOGZSA-N	577.591	5.445	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c1	409028926	UDDLINTWRFBBJC-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Br)cc1	409030964	FXCYRVAOUPMRRY-DLCNMLRHSA-N	614.883	7.359	50	40	KKGB	
Cc1ccc2c(c1)c(/C=N/NC(=O)CSc1cccc3ccccc13)c(C)n2Cc1ccccc1Cl	409034212	MTEISBPNXSEBIF-VTNSRFBWSA-N	512.078	7.355	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409042396	KORGVNUXZMUWOX-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c1C	409072195	JCNXNBPSJCNVTA-LICLKQGHSA-N	535.836	6.577	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409084407	VHSVYNMSKAQYLZ-CPNJWEJPSA-N	571.939	7.732	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409091479	QTSQAMWEHXRQGQ-OVCLIPMQSA-N	576.871	6.912	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc2ccccc2c1	409237172	JVBICEIVNRYHDG-QRVIBDJDSA-N	642.415	7.987	50	40	KKGB	
N#C/C(=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	409247103	BTRXAIOFMLOFHE-STZFKDTASA-N	516.475	6.681	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br	409268704	XXJRVOKYOBBOGP-ODLFYWEKSA-N	583.280	6.392	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409272011	XOUCNMRXSAMAQY-QDTIIGTASA-N	589.284	5.618	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1OCC	409315839	WHGSDGOXMDDXRE-RHANQZHGSA-N	539.426	5.764	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)[C@@H](C(=O)OC)C(=O)N1	409319254	COXSCCPGWOKTGV-LEWJYISDSA-N	621.351	5.192	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)ccc1OCc1ccccc1	409319854	MQZQKIJBCHYLTG-DLCNMLRHSA-N	717.252	8.295	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(Br)cc1	409371746	MPBOHPJOOIZHGA-WQRHYEAKSA-N	578.219	7.235	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(I)cc1	409374763	YRAJHLKLFBLEQA-ODLFYWEKSA-N	614.281	7.280	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccccc1C#N	409385364	JWUCMRSFGLGNRL-IPPBACCNSA-N	534.981	6.076	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409386535	MIHIZEYAEYTWCL-HQDYHJHZSA-N	612.111	6.997	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccc(C)cc1	409387536	WXQXIKLKIIKNSI-CCVNUDIWSA-N	568.449	6.622	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccco1	409394598	CPDVVNFTWBGLKP-UHFFFAOYSA-N	597.252	7.480	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccccc1	409394772	FRTCHEIPDVDGPH-UHFFFAOYSA-N	527.502	6.837	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccccc1	409394931	HRHQQACJWHUHEU-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1	409395165	KNNCFWNPXXJTMM-UHFFFAOYSA-N	582.454	6.979	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409396932	DCMOLDKXIKYEKL-UHFFFAOYSA-N	661.633	7.261	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409397555	LEWFOWWIKIMQIT-UHFFFAOYSA-N	627.053	7.177	50	40	KKGB	
COC(=O)[C@@H](C)Oc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409404791	RAJLGEQJQRJKBP-XVIDZLOXSA-N	624.488	5.741	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409406889	XWSPKUCRDVKNDO-OFSKBFHASA-N	641.506	6.821	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccc(C)o1	1261676	XLDYFYPYUOMOIV-AREMUKBSSA-N	549.052	5.957	50	40	KKGB	
Cc1cc(Br)c2c(c1)C(=NNC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br)C(=O)N2	4017831	RAQGHTIZEDRWBZ-UHFFFAOYSA-N	602.121	5.566	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)c(C)n1-c1ccc(Br)cc1	4062730	LLITXUNTJDWPOV-KBVAKVRCSA-N	570.516	7.488	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8427069	IOEHWJYYCOHCSD-HYNHWIHPSA-N	754.752	8.805	50	40	KKGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	8439798	VAMUWZZSTKZXKF-MHDJOFBISA-N	626.053	5.425	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@@H]1c1cccc(F)c1	8451179	DIYCKBAMXQNUDA-DEOSSOPVSA-N	518.614	5.169	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1OC	9272584	VZQFJEOVNIPMLR-YDZHTSKRSA-N	509.078	5.134	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1	9909931	QHUNQVGQLVNWQO-YDYXIROLSA-N	518.436	5.192	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1cccs1	13688827	XQGOJFMKAZILHM-JVWAILMASA-N	508.694	5.328	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1I	15357245	HQOIRLDDNSMQNQ-LCYFTJDESA-N	509.130	6.404	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccccc1	20461302	VMJBISYICJUSRP-LQKURTRISA-N	509.937	5.095	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	28214762	QTVSRXBLQPHDKY-ZCTHSVRISA-N	525.630	5.769	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OC(C)C)c(OC)c1	33654131	QYZFVSXDCUPCDL-BKUYFWCQSA-N	504.608	6.242	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	59856716	PHXRNLFDIVHKBD-CVKSISIWSA-N	555.281	5.492	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NN(c2ccccc2)c2ccccc2)C(C)C)cc1	97940057	VHZOJZKBTJOMEJ-LJAQVGFWSA-N	536.632	5.571	50	40	KKGB	
O=S(=O)(/N=C1/c2ccccc2/C(=N/S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cl)[C@@H]1Cl)c1ccc(Cl)cc1	97957682	TZAHICNSZWGOQL-OAMRTFOSSA-N	576.310	5.578	50	40	KKGB	
O=C(N/N=C\c1c(Br)cc(Br)c(O)c1Br)c1ccccc1-n1cccc1	97971046	VSPZOQQCDZSHEI-YVNNLAQVSA-N	542.025	5.234	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999718	PLGYYQBQNRKNSR-XIFFEERXSA-N	609.748	6.688	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)cc1C	100125802	VLIVELNQMGYMGK-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Br)cc1	100312409	AHUXEARDDFMQEO-WKIKZPBSSA-N	558.226	6.309	50	40	KKGB	
COc1ccc(OC)c(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1	100853196	MDDLBJWAUCOOMQ-MNBJERMJSA-N	543.693	5.800	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2C#N)OC(N)=C(C#N)[C@H]1c1cccs1	102402245	VGFVWEXIVIZNMQ-SANMLTNESA-N	617.177	7.481	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C2[C@H]1c1ccc(OCc2ccccc2)cc1	102531610	DSNDTMVSGASXCQ-LJAQVGFWSA-N	556.087	7.560	50	40	KKGB	
CC1(C)[C@H]2CC[C@@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2	103712728	QCDAPCLAWUINIF-IWTKHLKLSA-N	527.513	6.250	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(F)cc1	103883527	YCMSCBDXKLQYJV-JCMHNJIXSA-N	597.428	5.274	50	40	KKGB	
CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341251	BMCDKBGGDPWONB-LURJTMIESA-N	730.134	9.650	50	40	KKGB	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21)N1CCOCC1	245232180	QCEZKCHLIFIBQP-PLYVDKPMSA-N	595.077	6.014	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](c2cccnc2)P(=O)(O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)cc1	251734996	JBWIQTGKLBLKDA-NHWKJWDESA-N	650.797	9.387	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(OC)c2)cc1	408538714	PQYRAHDPPTWZFI-TURZUDJPSA-N	578.665	7.196	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2Br)c1	408543091	OSRASNUIIYIMCA-OCKHKDLRSA-N	570.237	6.343	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3)cc2Br)c(C(=O)OCC)c1C	408545983	BGLQAZGTJQHQFD-CIAFOILYSA-N	626.525	6.479	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552676	UQBLBGNMOCNNIW-RQZCQDPDSA-N	678.777	7.644	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccccc1	408553407	YSKCIWOPZLTCRS-UDWIEESQSA-N	562.489	6.784	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(I)cc1	408568931	LNXDCHGWHGUASB-MFOYZWKCSA-N	573.793	7.002	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1I	408569331	NGGLRDVIHDHINH-AMVVHIIESA-N	741.414	6.354	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	408583620	VWQUZZJZYFFTJM-CXUHLZMHSA-N	573.299	5.981	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)cc1Cl	408601941	CMEIJVOPDUJSHT-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408612425	YJFLUYJXOOLSPV-KRWDZBQOSA-N	548.854	6.121	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31	408642357	MWXGGOKURXBSOR-SHMGPBLASA-N	575.851	5.423	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408689842	ZFGDNXPNQCJZDB-RDGPPVDQSA-N	589.111	5.473	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(I)c2)c1	408743950	CRASLPQMWQPQQK-GRSHGNNSSA-N	568.367	5.543	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2Br)cc1	408747430	NUSZNXRXQVAQCY-ZDLGFXPLSA-N	560.673	7.298	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1cccc2ccccc12	408763474	FQSDLLLAISZKSV-WVKHYPTHSA-N	659.665	8.964	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	408783632	NYNVNEGFHCAUFV-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408794758	JYFRKKDUTTTZDN-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1cccc(F)c1	408795075	KAGSAPFZNJGSSL-RQZCQDPDSA-N	562.766	6.217	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1	408813594	DGLSYEMNXYGMKD-XHLNEMQHSA-N	509.609	7.043	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1Br	408831321	QNYVADCCWCDRBH-OVVQPSECSA-N	637.961	9.268	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408838050	BRMSUIFMDFUIJH-FFXZQHEYSA-N	658.563	8.242	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2)cc1	408838292	DFHBEAZUAJYBCY-ATZGPIRCSA-N	583.069	7.248	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	408838628	YNMXYZSXFQUSHA-NDZAJKAJSA-N	578.488	5.374	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)sc2c1	408841638	GAFXPZUDTCBHLG-UHFFFAOYSA-N	508.943	5.098	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl	408842150	MQEUSNSBPITQKS-ZHSUKTGHSA-N	569.996	6.702	50	40	KKGB	
CCOC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408844920	PSAUOSAVUIPZAS-MUFRIFMGSA-N	514.607	5.568	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Br)cc1	408845079	JWJRZPCAPSLQLQ-WKIKZPBSSA-N	513.775	6.200	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccccc1	408857548	OGFNQNQAAFKVPJ-UZWMFBFFSA-N	559.460	5.813	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1	408862796	MHUQIDBTVSNMBW-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1	408864590	XCRMWTAGFFVNCY-GZZLJNBRSA-N	554.672	5.237	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1Cc1ccccc1Br	408865394	CDBQZAZOFHBGLF-RQZCQDPDSA-N	560.673	7.010	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1	408869153	RUYMNGPFJVPRMI-WCMJOSRZSA-N	566.001	5.578	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408877943	YPNNBKGGGUQYPD-JGRMKTMXSA-N	568.699	5.798	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OC(=O)c1ccc(C)cc1	408878931	BTTONABMQNDKNC-XSFVSMFZSA-N	552.368	5.763	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Br)c1	408886904	JTFKYKIQRLXHST-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OS(=O)(=O)c1ccc(C)cc1	408887312	PJNFDWKBHQWRSI-QGOAFFKASA-N	527.396	5.080	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)ccc1Br	408904943	QUNQDQCVKXQZGX-ZRGSRPPYSA-N	507.215	6.799	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408905640	ZZWNHGFNXLPNRS-OPEKNORGSA-N	647.294	5.327	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1C	408921585	BFGWOHYRDJWGCD-RGVLZGJSSA-N	613.408	6.040	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(I)cc1	408946654	AUVCROHELIINJM-XKZIYDEJSA-N	625.894	6.669	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)c(OC)c1	408950378	HBQTYQXQMXMSFG-RZNGARSMSA-N	732.959	5.252	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)c(OC)c1	408957112	SJNAWBGWKBGLPL-ZHOFXBFXSA-N	744.643	6.164	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1	408963665	IQMKUNHRRNTKEE-AJKZZQFMSA-N	665.530	6.134	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)ccc1OCc1ccc(C(=O)O)cc1	408967449	RRDHEEWZOBYOAV-PPDIBHTLSA-N	592.240	5.027	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OC	408970794	KMAHVCIMLIBBLT-FFIGWLAPSA-N	558.462	5.046	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccccc2)cc1	408979305	MJSKBXYXNZMAQP-BZNSLHSRSA-N	577.706	6.287	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc(Br)cc(I)c2o1	409012149	JGVOUGSVOYZPOZ-JJKQSNDFSA-N	877.052	8.505	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409018562	HSHQJMAIRPGUDP-LMOHNTGSSA-N	631.773	7.253	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	409024317	JPPRKDZVTULKLS-ZOPZMGNLSA-N	507.656	5.471	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1C	409026884	DFYQGXQUIGHYGF-RSAIGHIKSA-N	544.677	5.500	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccccc1C#N	409042653	XHYIIDQAGKASBF-GXBUFBABSA-N	512.569	6.125	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)cc1	409043630	SJMMNXHILXSVRA-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)OCO3	409102926	BULYBDUZZOXOQL-QHCPKHFHSA-N	511.759	5.628	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1Cl	409113840	FYOYITXYESZIFI-FABQOPTDSA-N	626.562	6.620	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1)S(C)(=O)=O	409120679	RTFGIOFGZFZTPV-BIZUNTBRSA-N	562.091	5.958	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)cc2c1	409184135	IZHUYVJBNSNZEL-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cc(C)ccc2C)cc1	409184150	JEDSKCDLESXNLV-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)cc2c1	409186986	KMOVCAACMXTQAW-LJUMEUDFSA-N	583.557	6.612	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	409187533	RPDSLTMBZZHXTB-LQNQUEJISA-N	529.549	5.820	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4Cl)c(OCC)c3)cc2c1	409188257	XWMUJFXZZYJBBH-MNDYBZJGSA-N	571.855	6.989	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc3c(c2)OCO3)cc1	409219204	OBMKTGANECCQBX-NUJZUDFISA-N	521.957	5.036	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409220379	YGVFURWFFIATBF-WOJGMQOQSA-N	601.828	5.825	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	409223630	IYSKOXRCQFWDHD-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)c1ccc(Cl)cc1	409226933	WPDBRWUKINYRMQ-YRWAOHLSSA-N	600.889	6.613	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1cccc(C(=O)O)c1	409240558	GXSSXDWUULEWEX-QRAWFLTRSA-N	549.421	5.909	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409259973	INKQRCFXVPXDEX-QDTIIGTASA-N	545.379	5.390	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(F)cc1	409266856	RUMWKZFSGOILPI-OQLLNIDSSA-N	607.661	6.567	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)cc(Br)c4OCC(=O)Nc4ccccc4Cl)cc3)cs2)cc1	409267027	RLRTUEQXEZKXJU-HTVDVWKISA-N	753.904	8.822	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)ccc1OCc1ccccc1	409325060	WWFDJZPAUINJED-ZMGVVAQMSA-N	625.421	7.344	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OC	409325476	YYTKXCZDPQNJAA-MWLSYYOVSA-N	570.440	5.037	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1OC	409328150	ZRODADGDKJNSSF-NUJZUDFISA-N	653.165	6.890	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(I)cc1	409371186	CMGZOCRROBTFOD-NVMNQCDNSA-N	591.199	6.614	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1	409371938	CDMZRFZDXWMBMH-MUFRIFMGSA-N	532.394	5.392	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409385515	LAVSVFNYLJZTPS-FDVSRXAVSA-N	501.608	5.415	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(c1ccccc1)c1ccccc1	409392778	RTIPQQCZYQASDT-KYHGBAKBSA-N	751.200	7.520	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409393519	XZFXZYOWIRFKEK-APTWKGOFSA-N	669.357	7.314	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)c(-c3ccccc3)c2c1	409395060	JJFSNDHMIJZKTK-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409395934	UDDIIMPBUMUPIC-UHFFFAOYSA-N	695.795	8.395	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)o2)cc1	409400390	CRBXPHXZCSZRAM-RODHXAHZSA-N	695.383	8.273	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)o2)cc1	409400397	CTLDGJRKTOYEBP-HQDYHJHZSA-N	599.043	7.171	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)o2)cc1	409404585	QIHKITMZDBSJFJ-AEUUOICLSA-N	632.942	8.025	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409410313	VDPAYLLUNVZOPI-XZYGTATASA-N	626.507	7.320	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1813267	AKFRDHMCTIWDAR-ATZGPIRCSA-N	567.637	6.502	50	40	KKGB	
CCOc1cc([C@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(Br)cc1OCC#N	2178005	DUADNVSFVGJIDO-SDWUMEBZSA-N	534.458	5.616	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccc(C(F)(F)F)cc1	2234882	WCTXERXUHDIUJI-AMVVHIIESA-N	542.608	5.587	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccc(C(C)(C)C)cc1	2697610	QJGXKBGWTHZGSL-BIZUNTBRSA-N	538.721	6.633	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)c3)c2C)cc1	3255242	SBRKQZGCYKXYEK-OKCVXOCRSA-N	555.487	6.274	50	40	KKGB	
C/C(=N/NC(=O)COc1c(Br)cc(C(C)(C)CC(C)(C)C)cc1Br)c1cccs1	6013901	XRMYXUREDAQVMF-QFEZKATASA-N	544.353	6.906	50	40	KKGB	
COc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C(/C)c3ccc4ccccc4c3)n2-c2ccccc2)cc1	8397401	TXFNHFRVPYVRMI-VOYCZCILSA-N	550.688	6.062	50	40	KKGB	
CCOc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(C)cc3)C3=C2C[C@H](c2ccccc2)CC3=O)c([N+](=O)[O-])c1	8456160	MVELHYCXIJRZAD-PZGXJGMVSA-N	520.589	6.000	50	40	KKGB	
C/C(=N\NC(=O)c1cccc(N/N=C(\C)c2ccc(Cl)c(Cl)c2)c1)c1ccc(Cl)c(Cl)c1	12563990	MZIDBLOOXSPDPL-JOFLXYQRSA-N	508.236	7.290	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C(F)(F)F)C3=C(CCCC3=O)N2)cc1C	13174255	OVGJHVYMXOHOSJ-XMMPIXPASA-N	511.569	6.123	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc2ccccc2c1	13940531	QGQVLUXFXSTCRU-NDZAJKAJSA-N	518.086	6.889	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1C1N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1	19325299	DYTMKTUNZJMWCI-UHFFFAOYSA-N	551.389	7.602	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC1CCCCC1	27021232	UNSYMKUMHWHVBO-NCELDCMTSA-N	520.608	6.613	50	40	KKGB	
CCCCc1ccc(NC(=O)C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1	29491875	SNBHLCCETPFLEC-GIPPVHFXSA-N	675.583	6.083	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)c2C)cc1C	58915390	IFPNOKNDJKYDBC-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccc(Cl)cc2C)cc1	59857460	SUQIYPFKBJMAHL-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	59884738	MMMCLJOPFXTRSQ-XKJRVUDJSA-N	564.800	6.011	50	40	KKGB	
N#CC1=CN2[C@H](C(=O)C3CC3)[C@H](c3ccc(Br)cc3)[C@H](C(=C(C#N)C#N)c3ccccc3)[C@H]2C=C1	97949524	ZMPYJEBDZFLRSN-OIIADRAWSA-N	521.418	5.659	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OCc1cccc2ccccc12	97966998	BERKAQFRBJHQNE-KOEQRZSOSA-N	532.625	6.985	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)c1nnc(NC(=O)c2ccccc2)s1	97968469	LDYVWEDGXPRPTJ-VCHYOVAHSA-N	541.847	7.394	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cccnc1	97972309	DOAZFFNYFVYTDX-QDTIIGTASA-N	539.227	6.103	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)Cc2ccc(Cl)cc2)cc1	97972321	HQMUIZNURVYBNL-WKIKZPBSSA-N	524.857	5.296	50	40	KKGB	
ClC(Cl)(Cl)P(Cl)(Cl)(Cl)Oc1c(Br)cc(Br)cc1Br	97983191	PAEUSBYWYPGGME-UHFFFAOYSA-N	585.496	8.610	50	40	KKGB	
COc1ccc(-c2nc(SSc3nc(-c4ccc(OC)cc4)[nH]c3S(=O)(=O)c3ccc(C)cc3)c(S(=O)(=O)c3ccc(C)cc3)[nH]2)cc1	98048282	AIGFMCXWXZIBLJ-UHFFFAOYSA-N	718.904	7.566	50	40	KKGB	
N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	98048466	HKIGZWYPOFJHCZ-DEOSSOPVSA-N	522.457	6.792	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(C)c3)=C(C#N)[C@@H]2c2ccccc2)cc1	98048575	HWFQCPKISWBLFL-LJAQVGFWSA-N	566.683	5.878	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccccc2C)cc1	100123181	CAZBFUUTPNHKKZ-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccc(Br)cc1	100178473	ZAKPOLKKBDKZJR-HBKHLPLRSA-N	610.895	6.069	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2cc(Cl)ccc2OC)cc1OC	100304066	CCZZKWKYIJTYIB-ATZGPIRCSA-N	629.110	5.258	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1Cl	100336165	BRSRLSNHIBGMKJ-JAIQZWGSSA-N	572.830	6.695	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	100351382	KWYZGQVBYYPRMH-APTWKGOFSA-N	613.567	5.793	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c2ccc(C)cc2)cc1	100380094	NPESERICSYWGAS-FABQOPTDSA-N	614.715	6.489	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1	100418915	ADZMTPXRPMEGTD-WOJGMQOQSA-N	606.201	6.020	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1	101305016	VIAHVSDLXRWEDI-SANMLTNESA-N	544.076	6.417	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	103884681	CYHOUMUXSNVKLU-ITYLOYPMSA-N	576.524	6.955	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2ccccc2c1	103890849	QVZJMBSDJYGGLI-IWIPYMOSSA-N	592.320	8.762	50	40	KKGB	
CCN(CC)c1ccc(/N=N/c2nc(Cl)c(/C=C3\C(=O)c4ccccc4C3=C(C#N)C#N)s2)c(NC(C)=O)c1	104272597	QNVMQOMOPBFLOI-GVZXHQRTSA-N	556.051	7.097	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104699964	OWCHDHJFFKYYDX-VQDFAETESA-N	598.599	9.266	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OC)c(C(=O)OCC)c1C	109151757	JAOWFVLGEIVIPB-VGOFMYFVSA-N	599.297	5.662	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)NCc1ccccc1	150392019	GSROCHIMTLYUCY-RGVLZGJSSA-N	620.228	5.698	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)c(Cl)c1	164745335	WSMHNNJSCKQTJB-PXNMLYILSA-N	662.138	8.428	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](c2cccnc2)[P@](=O)(O[C@@H]2C[C@@H](C(C)C)CC[C@@H]2C)O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)cc1	251734999	JBWIQTGKLBLKDA-SGQQUVJMSA-N	650.797	9.387	50	40	KKGB	
CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C(=O)NC(=O)C[C@@H]3[C@H](O)c3ccccc3)C[C@@H]2O[Si](C(C)C)(C(C)C)O1	263601429	LCVKRPARHSQQEA-IKERNBKFSA-N	578.855	5.102	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccccc1	408555895	ZNSYUPUVGJKTCC-UDWIEESQSA-N	518.038	6.675	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCC	408570782	YMKDHCREDQEFIE-AFUMVMLFSA-N	537.501	5.420	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(C(=O)O)cc1	408570967	ZWVLUHMNMKZSNF-NVMNQCDNSA-N	583.357	6.047	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(Cl)c(Cl)c1	408585672	HARLISMAMZDJJK-APSNUPSMSA-N	666.511	8.499	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408604306	HZUWTEZGBWAMGL-CQSZACIVSA-N	539.246	6.375	50	40	KKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c1C	408612981	YBJMLOLLCIJDMJ-KVSWJAHQSA-N	504.801	5.931	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccc(Cl)cc1	408615297	OMSINGUTDAYJNC-WKULSOCRSA-N	514.409	5.622	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408658481	VBCLFRFQAHDSFW-CYJHHTLLSA-N	627.499	6.609	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1)Nc1ccc(Oc2ccccc2)cc1	408687004	OFIWTZNUJMZTRW-ZTTYKKJNSA-N	579.436	5.245	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1	408727527	FGVOCLLFSKWDTK-JWHWKPFMSA-N	588.173	7.495	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1	408742410	AHAACBBYWMYQMO-JAIQZWGSSA-N	675.264	6.291	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3Cl)cc2Br)c1	408744610	GFDOFTQHUDMLTB-ODLFYWEKSA-N	541.829	6.634	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(I)cc1	408745221	QJGXXTSHUPSQIN-ODLFYWEKSA-N	603.254	6.495	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)ccc1I	408746945	IGZRNPRRKBZRKG-LUOAPIJWSA-N	722.997	6.930	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(I)c1	408754056	LROBHTLCUCXFDV-FYJGNVAPSA-N	609.261	7.332	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408756389	UVNMQBVZHDMOFZ-WQRHYEAKSA-N	586.420	5.378	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc2ccccc2c1	408757379	ZCWCLPVOIRBPOQ-UUYOSTAYSA-N	592.287	7.498	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccccc1Cl	408761075	HINCXHGSTARGRU-ZDLGFXPLSA-N	590.699	7.388	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	408766297	UCKHOHUPYLPXNH-RCCKNPSSSA-N	547.430	6.224	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1	408773058	PMHAEQDCKCZCLX-JAIQZWGSSA-N	570.281	7.123	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1	408790131	UBABAWLTPQKVFC-SRZZPIQSSA-N	520.372	6.166	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Br)cc1	408792058	HEACIPISELDZMG-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cccc(Cl)c1	408798383	DVTNNWYXWQMMCB-KEBDBYFISA-N	525.830	6.853	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccccc1F	408821589	JFKKREQFUXIXEH-PXNMLYILSA-N	622.188	6.226	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccccc1	408824849	ALNOLEBMCGXCTO-BIZUNTBRSA-N	622.541	5.767	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408828589	IBAORUBRBBIGPU-PPOKSSTKSA-N	605.116	5.645	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c2ccccc2)cc1	408832245	SIDRWDACDBYQID-QNKGDIEWSA-N	591.089	5.337	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408832989	SNEXRYFUWCPJMC-KEGTUQKMSA-N	832.626	7.432	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(I)cc1	408839544	UHMHWYVOHXGGSR-XJECJHNESA-N	800.460	8.423	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OC	408842920	LWSCNQZGSFNVMD-WKULSOCRSA-N	565.493	6.796	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)ccc4OC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3)sc2c1	408844273	NDIOZTAVKDIMBU-DVRIZHICSA-N	771.929	10.383	50	40	KKGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408845162	PEOLFZODKFDMLX-UXHLAJHPSA-N	510.619	6.037	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(Br)cc1OCc1ccccc1Cl	408851597	DDTLMNLLIJKNRN-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	408857834	WWMLBYYJVJZZTM-DICXZTSXSA-N	546.259	5.882	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	408864182	UIAJYBMVVMRHRZ-ASPXWBLJSA-N	603.959	6.262	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408864755	ZOBKJZYOJIHYAO-VTNSRFBWSA-N	643.991	6.173	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408881912	PBQHNGLDOGSHIM-LDADJPATSA-N	622.868	5.965	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc([N+](=O)[O-])ccc1O	408883546	QEOCNNMEPVDUDH-WMDMUMDLSA-N	618.065	6.475	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)c1	408884047	SNHUIXKSVVJAKZ-UFWORHAWSA-N	561.849	6.475	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Br	408888367	UVCSWMRWMYGGGC-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2I)cc1	408889710	FZTPZWODCXURRQ-CAOOACKPSA-N	699.670	6.891	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2Cl)cc1	408890395	SLBWJHHMBBYABS-GZTJUZNOSA-N	604.682	6.947	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12	408892262	YHXYPFLWJWQIFK-OEAKJJBVSA-N	633.442	7.184	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)c([N+](=O)[O-])c1	408894797	IUQHYNOLMLZJDF-VXLYETTFSA-N	599.381	5.650	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1OCc1cccc2ccccc12	408898879	YCPIKNVVYMDHLS-CJLVFECKSA-N	513.391	6.736	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924845	OVIAIXNRHWWBLE-VIZOYTHASA-N	684.308	5.944	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1C	408925900	UTLKMPSOHQTDQK-CIAFOILYSA-N	538.385	6.041	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925966	VHDCUULFVLXFBA-UDWIEESQSA-N	598.475	5.346	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408942676	KXPNFZUZRDPYJX-DBFSUHOCSA-N	662.278	5.898	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(F)cc1	408950322	RXPNPOCZOVHFEL-WJOKGBTCSA-N	646.741	5.027	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)Nc1ccccc1	408953570	WRSAVHBMRNGCES-QDTIIGTASA-N	556.800	5.639	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccccc3C#N)ccc3ccccc23)c(OC)c1	408953756	MOMFOAUVZUNJOM-IWCMBNRNSA-N	647.688	5.019	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1	408970600	JBPGONBBBFVSDY-AASFFQPYSA-N	596.522	5.405	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1	408974533	ZOJDAKNGCHHKAP-AFXIYHOOSA-N	584.298	5.107	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408978528	IXYASLVIZUOZBG-RLBGMPNZSA-N	552.587	5.194	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408987982	QAUCPHXBNWYMLV-IUXPMGMMSA-N	605.670	7.206	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1	409015908	PJLYUHCRTXHGMR-HUKYLRDLSA-N	575.449	5.919	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c1	409035791	KFVRDTCFQWMBEU-RPPGKUMJSA-N	597.101	6.326	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccc(F)cc1	409107701	UBEJLVRGGBJBNZ-DEOSSOPVSA-N	525.330	5.123	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)cc2)cc1	409119408	PHCZZRHMYDZIBO-ZCTHSVRISA-N	528.678	5.608	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(OCC)c2)cc1	409155812	CYPPMYPMEUWSLX-WCMJOSRZSA-N	587.460	5.287	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	409183559	DFQGADKMLAMIBJ-ODQASSKESA-N	663.074	5.301	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1	409185525	ZXUBUCPFVKBITH-FMFFXOCNSA-N	573.074	5.710	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409185741	PGTCNEOGSABQSN-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2C)cc1	409186376	BCYSDOHCSDBRNI-JBFMKSPFSA-N	578.716	8.381	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)cc2c1	409187207	NKNRARFOABRUOR-ACXHZZMFSA-N	550.011	5.973	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2Br)c1	409202251	QTQKJBYYPJNQTA-KKMKTNMSSA-N	582.745	6.995	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1	409211662	NPAQIMDWFTUMLQ-WQRHYEAKSA-N	561.173	6.605	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c2)ccc1OC(C)=O	409219133	JGQZZDXYUNVHRA-UHFFFAOYSA-N	620.412	5.211	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409225172	PGLJCPYLBCOVKP-QJALSTBGSA-N	578.581	5.547	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409233171	RLFZJGPSLVVWHH-HMAPJEAMSA-N	550.409	5.601	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)cc1	409255003	YWGURQFDXQWQOM-HYARGMPZSA-N	639.490	6.269	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2)cc1Cl	409256440	LGZZAWJOFOSUFN-XJECJHNESA-N	630.557	7.950	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409261702	CXBDBJLHRSEVJM-QDTIIGTASA-N	609.702	6.045	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409270879	ILEMWYCHBGICHV-XKZIYDEJSA-N	518.013	6.227	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2cc(C)ccc2C)c1	409273316	XBTQDJKQACUQLE-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1	409314236	QRISBGRAQSDPJV-VYYCAZPPSA-N	562.258	5.962	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)ccc1OC	409327622	VGDJWHDXVYCNHC-NUJZUDFISA-N	619.310	5.709	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	409334982	NPHDEDJRLKOYAR-MZJWZYIUSA-N	564.807	5.234	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409335862	PLNUITQILXXNQZ-GXBUFBABSA-N	567.642	5.763	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1cccc2ccccc12	409374208	ZVFFGJLEDAOVNY-ALQBTCKLSA-N	583.482	7.506	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387961	ZFRWHMPZRASPGP-LUOAPIJWSA-N	579.259	7.222	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(Br)cc1OCC(=O)Nc1ccccc1	409392045	NJCOXWQPMKDKFM-WQRHYEAKSA-N	547.409	5.814	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409394760	FNSWWOSRUSYEMA-UHFFFAOYSA-N	655.763	8.849	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)cc1	409395563	PBRBHILERAFIDB-UHFFFAOYSA-N	734.659	9.612	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395964	UOSMOGUWPMQFLX-UHFFFAOYSA-N	739.804	7.930	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409396118	WMYXCEWIVHXUMF-UHFFFAOYSA-N	749.765	9.024	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)cc1OCC	409396264	XJNTWCSSRASGIU-UHFFFAOYSA-N	695.397	8.685	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397081	FZGUUIXBYCUCGK-UHFFFAOYSA-N	595.961	7.482	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398919	WLWVOJDTCYOKDL-UHFFFAOYSA-N	652.918	7.804	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1cccc(C(=O)O)c1	409400103	BIRJFYXKURORBD-WBIBEUCMSA-N	623.662	6.324	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccccc1C#N	409401900	IPAZGMUYZMILOB-KWQVAVEISA-N	714.560	7.484	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409402236	JICWUBLFTRGRIT-BVMLUPFRSA-N	639.459	5.643	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3ccc(Cl)cc3)o2)cc1	409403459	NAFFRGPUBSXIJA-HQDYHJHZSA-N	599.043	7.171	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4cccc(F)c4)c([N+](=O)[O-])c3)o2)cc1	409405061	RXODREWGVMLVDQ-RODHXAHZSA-N	704.509	6.857	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	1529548490	HMBSMSTVEDRHBO-ACKQVUGPSA-N	643.165	5.957	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(OCC)c1	1529549003	RSSYJNLFGYHBHS-RNMNIPMUSA-N	699.599	5.451	50	40	KKGB	
Cc1ccc(Sc2ccc(/C=C(\C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2[N+](=O)[O-])cc1	2634320	MQXBUWYAOPDKTM-MHWRWJLKSA-N	517.916	7.272	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1	2706010	LIZKSXJEDQJAKF-LQKURTRISA-N	551.466	5.179	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	2807555	ZASDJWOSKQINDX-KGENOOAVSA-N	506.911	7.637	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccccc3OCc3ccccc3[N+](=O)[O-])c2)cc1	3090646	VOVAHWYPGDKOFU-UXHLAJHPSA-N	524.533	5.199	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1cccc2ccccc12	5948534	CFILXADWFJSSKR-FMFFXOCNSA-N	568.471	7.135	50	40	KKGB	
CCCCCCCCCCCCC(=O)N/N=C/c1cc(Br)cc(/C=N/NC(=O)CCCCCCCCCCCC)c1O	8399421	NQHZTXWOEUOFFR-NQWAKLOSSA-N	649.759	9.677	50	40	KKGB	
O=C(/C=C/c1nc2ccccc2s1)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	13098465	AFRMDGMTRQDNPA-OPODDNDBSA-N	509.509	5.939	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)c2ccc(C)cc2)NC(C)=C1C(=O)Nc1ccccc1	19939559	GCALHTWVJNSOJR-LJAQVGFWSA-N	523.658	6.345	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1	20206834	LYRRBBVOWRHTSN-JJKYIXSRSA-N	521.683	5.367	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	33355408	UIWKCPAWALJFJA-RGXNXFOYSA-N	565.427	7.246	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1	59401516	FKGZIAKAHAXKMF-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	59960710	UTSIBPAXHKVLSH-OXUBWTJQSA-N	504.679	6.014	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/C=C\c1ccccc1[N+](=O)[O-]	97939499	ZMGRSKAQGOBNFR-KODDHLPESA-N	521.649	5.799	50	40	KKGB	
CCCCN1C(=O)/C(=N\NC(=O)CCCCCCCC(=O)N/N=C2/C(=O)N(CCCC)c3ccccc32)c2ccccc21	97959601	UKCCRNJRYYCZRM-RPXHASCYSA-N	586.737	5.052	50	40	KKGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(O[C@@H]3OCCO[C@@H]3Oc3ccc(/C(C)=N/NC(=O)c4ccc(OC)cc4)cc3)cc2)cc1	97983217	BMCQBEXQNOHVID-RPCFCHPGSA-N	652.704	5.169	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	100228613	KHXCFBWMOUGJEJ-FMFFXOCNSA-N	592.117	6.048	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)c(I)cc3o2)ccc1OC(C)C	100344025	YWSPSEOKYSTLQB-AUEPDCJTSA-N	557.182	5.360	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	100351358	PJIJQUACKYIOQR-HWIUFGAZSA-N	572.731	5.103	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1	101039739	GEKYBYVAGJLQCZ-YMGIJWJESA-N	552.881	6.476	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](Br)CBr	103527401	FTIZSSQFBMPSFL-UWTATZPHSA-N	555.901	6.519	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889344	GSBJIHGFAKXGQH-YBEGLDIGSA-N	547.192	6.789	50	40	KKGB	
CC(C)C1=C[C@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)Cl)[C@@H]2C[C@@H]1[C@@]1(Br)C(=O)OC(=O)[C@]31Br	103976404	BDCGTXWFWOHPRU-LVKQEUEQSA-N	576.753	5.928	50	40	KKGB	
BrC/C(=N/N=C(/CBr)c1ccc(Br)cc1)c1ccc(Br)cc1	104200399	WSWCDAXVRAVEEJ-BMJUYKDLSA-N	551.902	6.195	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	105437539	UCQWQNWDARQJAR-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341245	YCZIXOOWKGBFRK-LURJTMIESA-N	680.127	9.015	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342055	FRRFABCMVPDMCU-UWTATZPHSA-N	842.037	10.293	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342115	VADAHCVEWDXLIW-REOHCLBHSA-N	792.030	9.658	50	40	KKGB	
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1	150449506	OELNLLAVGCLRCY-UHFFFAOYSA-N	653.182	5.214	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(OC)c2)cc1	216065736	HOCNGNMTKNKOOR-JVWAILMASA-N	544.389	5.432	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408528785	IFPABXOCPVXBJW-IURWMYGYSA-N	642.372	5.758	50	40	KKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	408537211	CXSAOGCUAIYUHE-QXPFVDMISA-N	542.705	7.675	50	40	KKGB	
N#C/C(=C\c1cc(I)cc(I)c1OCc1ccccc1C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	408554269	RFMOZAGTFRFJOU-DJKKODMXSA-N	716.342	6.704	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccc(Br)cc1	408554710	TXEVAUGDPFQLJL-VCHYOVAHSA-N	627.358	7.157	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408567990	HMRFPWMPZFLBLV-AFUMVMLFSA-N	540.579	5.303	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl	408579833	KFVMHGDACGBALP-CXUHLZMHSA-N	504.167	7.307	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408649658	YVCHRDDYYJIGRZ-ADRLOPMBSA-N	665.593	6.197	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408673222	QJAMDCFEHZPDQC-ZYGGUILKSA-N	570.665	5.027	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1	408718093	IZBADIKYLHGPTG-JFLMPSFJSA-N	508.372	5.089	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	408726205	AFCDNFWAVVDGIP-NJZRLIGZSA-N	577.062	6.106	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408755684	LQMQHXKQPQCSRY-DHDCSXOGSA-N	535.214	6.863	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1	408764422	RZIQCZTVELJJPQ-ZDLGFXPLSA-N	590.699	7.388	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2Br)cc1	408766411	QDCWDXHNVAEZAI-LQKURTRISA-N	617.319	5.842	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1F	408774181	BUJBAICUOLPTKT-BWAHOGKJSA-N	560.467	6.151	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408787374	YYSUOJMODUZISX-STZFKDTASA-N	548.477	7.786	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(F)cc1	408788393	JWHNGQJWCZHAPR-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408789456	JJFGHOUFWVENFP-KEBDBYFISA-N	529.851	7.787	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2I)cc1	408790771	YLTMYYXUIBUSIX-XDHOZWIPSA-N	510.331	5.430	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1C#N	408792822	LNKLEMWZYACPBH-RGVLZGJSSA-N	536.813	6.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(C)cc1	408796799	PZOPQEHBSVYUCA-RGVLZGJSSA-N	536.382	6.189	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408815797	VAFHOFCHHQQGGD-GRSHGNNSSA-N	601.251	5.931	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccccc1	408820817	ZCSQOKUNQFHEEC-XKZIYDEJSA-N	521.411	5.659	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408829128	OAILVTIVJKIVBD-ZCTHSVRISA-N	572.643	5.136	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC	408829178	OGYLHPZKGAAETH-STBIYBPSSA-N	562.475	5.303	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408829415	JNASGZWXQWWBBI-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408831879	PPCVBSUDLGZBSS-JWHWKPFMSA-N	517.673	6.484	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408837965	AZSXWKSQSORUCM-KPGMTVGESA-N	566.828	6.882	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408840500	CDGBSPORRDDCDS-XJECJHNESA-N	677.522	7.750	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	408840521	CETGNAKKTZCFNI-JJKQSNDFSA-N	579.431	7.484	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	408840558	GTFVAUGEYIBOOS-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1C	408845461	FNXAMWJLXKAGLI-ZXSNDDASSA-N	500.646	7.241	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1	408855540	NWGMGELBOFWFRR-FXMZOFOKSA-N	651.105	6.761	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)c(OC)c1	408870079	VILDWKLHYNXBSA-DJKKODMXSA-N	698.270	5.854	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1ccc(Cl)c(Cl)c1	408889883	KLHXFKQXRQBDSI-YSURURNPSA-N	554.140	6.129	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2Br)cc1	408890679	XMUUVQLCWQBTTB-LDADJPATSA-N	545.842	6.033	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)c(Br)c1	408891821	VVFHSDKDGSKUIR-RQZCQDPDSA-N	595.118	7.952	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904508	KQGGUPPAKMPAKZ-CPDSRJINSA-N	578.806	7.253	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408905019	RZNLXVFSIYBOMZ-NUJZUDFISA-N	540.492	5.608	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccccc1C#N	408905222	VJULRXZUGRLNQQ-NUJZUDFISA-N	518.913	5.608	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)cc1	408921505	BABGMBICDKTGCD-LFIBNONCSA-N	609.285	6.028	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1ccccc1F	408925848	UGBHAOSGXUVXLJ-VCHYOVAHSA-N	570.371	6.028	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2I)cc1	408950355	JJPPZQUZIFZSKY-UCQKPKSFSA-N	561.423	5.926	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)c(OC)c1	408953469	LUVLWCSIGYOWGU-LUZLDADYSA-N	657.123	5.801	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc(F)cc2)c(OC)c1	408956200	PVGLJANDTUPXCL-VVYBVRPNSA-N	842.400	5.343	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1cccc2ccccc12	408992257	SOHLFZIQLIMFNL-PKAZHMFMSA-N	537.059	8.054	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2cccc(C)c2)cc1	409001422	IHNOKNFBRRICNA-ZCTHSVRISA-N	507.546	5.239	50	40	KKGB	
CC(C)(C)c1cc(/C=N\NC(=O)COc2ccccc2I)cc(C(C)(C)C)c1O	409010669	CYACJJNJYGVVET-MXAYSNPKSA-N	508.400	5.121	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cc2cc(Br)cc(I)c2o1	409014200	WJWOYQLKHNNTFR-VYVUJPJFSA-N	678.535	8.103	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc(Cl)ccc2o1	409021752	WZLRQXXQQYGIQP-AQLQTECXSA-N	568.254	7.998	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(C(=O)O)cc1	409037802	NUFUZKPKOCTTQX-KMUKQRDJSA-N	624.491	7.104	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409084178	AFOHALRTJXWGLZ-LFIBNONCSA-N	531.874	7.004	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Br	409110046	QFSLTUREHQYPCX-LGJNPRDNSA-N	599.732	5.206	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)S(=O)(=O)c1ccc(Cl)cc1	409140935	HBTXALYYXIZMPI-STBIYBPSSA-N	583.022	5.253	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2cccc(Cl)c2)cc1	409148078	OLKLUUWBNBPMHI-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)cc2c1	409188005	WGFRDLSNXOZNPC-FDVSRXAVSA-N	629.407	6.086	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c2)c1	409223507	IDWOFCBDDDSPKI-UHFFFAOYSA-N	669.757	7.409	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	409224311	KEIQYMYENGXKPE-KHMIOVBJSA-N	591.023	5.144	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409226585	UVMXGDVWMXYQBH-UHFFFAOYSA-N	662.493	5.719	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1	409226857	XKFMSPDAEPRGOV-UHFFFAOYSA-N	703.309	7.774	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409251055	SUEKAIKWUXEWMA-DBFSUHOCSA-N	509.792	6.456	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409253269	BDCZKOUEVQVGRV-QDTIIGTASA-N	591.833	5.351	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409265189	SUTDPIPWSUEHBF-JAIQZWGSSA-N	538.431	6.572	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409267169	MDOJIPPAZHQRFO-PDGQHHTCSA-N	631.854	5.915	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)[C@H](O)c1ccccc1	409267173	TUBBHECMXVUDDE-KSRKCLLLSA-N	552.650	5.628	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1	409273325	XDMWUISGQZSDOF-MTJSOVHGSA-N	547.995	5.315	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1OCc1ccccc1	409322874	LWBOKRQAQAIXIT-OHUYPAJKSA-N	681.483	6.529	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1OCC	409324397	TZAFKIBIHRBPML-YKQZZPSBSA-N	602.469	6.220	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	409325594	ZQQPZXLHCVZXLU-DXJNIWACSA-N	565.047	5.849	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)ccc1OCc1ccccc1	409333370	OQJNNYVQXURVEL-GXBUFBABSA-N	623.127	6.556	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Br)cc3)c2C)cc1Br	409357451	IHVGWLMVTOVZEO-RPPGKUMJSA-N	518.253	5.490	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)ccc1OCc1ccc(Br)cc1	409392528	QCBQCGZMEKQAHE-UNOMPAQXSA-N	504.384	6.376	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409395025	IYLOCBJLDVNVAI-UHFFFAOYSA-N	675.333	7.380	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395467	NXUCFJKUZPTFHO-UHFFFAOYSA-N	755.077	9.957	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409396957	DIUHQNLNLWYBGJ-UHFFFAOYSA-N	660.952	7.950	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398541	UHWRUUFYBODIAP-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409398807	VXYYJNADVXAWFA-UHFFFAOYSA-N	596.392	8.144	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccccc1C#N	409400814	FOELJSZGANJQRK-KWQVAVEISA-N	623.109	7.533	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1Oc1ccc([N+](=O)[O-])cn1	409401602	HQTXNZBWGFXJQP-WBIBEUCMSA-N	621.650	6.863	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OC(C)(C)C	409404743	QVERLZFEPFRCPV-DLCNMLRHSA-N	642.978	8.022	50	40	KKGB	
C[C@H](CCCBr)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	605693612	GRPMVEFKZYTBJO-NXUCFJMCSA-N	537.743	9.767	50	40	KKGB	in-vitro
C=C1/C(=C/C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C[C@@H]2CCC(=O)C2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	642811126	VUNSKLXNHPLZTO-NGYUJTKTSA-N	641.142	11.582	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(F)cc1	1529549408	YEPNWMHEGHDGEP-LLUBMPASSA-N	660.768	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	1529549437	YYNJQVIXRGVMKT-ZBVWQCQISA-N	706.446	6.220	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1ccc(Br)cc1	1065102	RJWNQRHPYLJNFF-NRFANRHFSA-N	511.351	5.437	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1	1767375	PMMIOUTWZBGDIS-XNTDXEJSSA-N	514.821	7.500	50	40	KKGB	
O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/C=C/c1ccccc1	2738769	ZRBKVJICESHKHH-WMMOABOTSA-N	518.646	5.940	50	40	KKGB	
Cc1cccc(NC(=S)NNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(C(C)C)cc2)N3)c1	2794106	STUXEFYUAWTWDM-CTNGQTDRSA-N	516.593	5.607	50	40	KKGB	
O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1cc(-c2cccs2)nc2ccccc12	3201034	RGNZETRLMIVDPV-GOJREDGKSA-N	548.671	8.338	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	3318885	XHVJQRHSQQWGSP-ZHSUKTGHSA-N	537.469	5.967	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@@H](c3ccccc3)Nc3c(Cl)cc(Cl)cc3[C@H]2[C@H]1Cl	8425537	LGHJZYDFGCMCGW-MJZWAZDZSA-N	505.854	7.940	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	12363076	QHTUAYNVNZMMJE-ICUTVXMZSA-N	523.558	7.523	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	59334112	KGXISVANWYJAOA-AUWJEWJLSA-N	501.151	5.172	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C(=O)O)cc1	59336287	DZKZNUUWMGINMU-UNOMPAQXSA-N	511.361	6.215	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c1	59435313	BANQMCAWRZMIMZ-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Br)CCCC)CC[C@]4(C)[C@H]3CC[C@]12C	70692196	UAMJDBHGEBLGGF-WUUSPZRJSA-N	579.773	10.898	50	40	KKGB	biogenic
CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)c(Br)c1	97961064	CCPJEFKFRKWCQE-IHHMTPERSA-N	723.304	9.338	50	40	KKGB	
O=C(Nc1ccc(Cl)cn1)/C(NC(=O)c1ccccc1)=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1	97962856	ALEVWPVYDCXYJH-KTMFPKCZSA-N	578.008	6.486	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1c2ccccc2cc2ccccc12	97967235	LDORRZCJPQHNBH-FABQOPTDSA-N	582.516	7.790	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccccc2C)cc1	100123252	AWUYBEFXAUCZID-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)Cc2ccccc2)cc1	100129267	SQWHQFMMUGQXST-KYHGBAKBSA-N	583.541	6.051	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)ccc3C)o2)cc1	100139398	DYMHVDWRQZOOJO-ZMGVVAQMSA-N	613.523	5.683	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)Nc1cccc(Cl)c1	100404261	NPMHIDXBQCDGAH-KCSSXMTESA-N	557.006	5.025	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	101007326	GDKWHIZDGNVGEZ-UNOMPAQXSA-N	550.018	5.061	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1	101082050	JMKIQUGLQOIGTH-VWLOTQADSA-N	526.392	5.440	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1cn(-c2ccccc2)nc1-c1ccccc1	102245423	RRHUZMACHTWJBF-RQXXSLPSSA-N	578.672	7.461	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)N=C3CC(C)(C)CC(O)=C32)cc1OC	102929715	YSDASPZBOIWTHO-SANMLTNESA-N	517.651	6.290	50	40	KKGB	
N#C/C(C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)=C1\Nc2ccccc2S1	103133462	YIAHLRKHNLBEFZ-MOHJPFBDSA-N	522.577	6.718	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(OCC)c1O	103795210	TZJAZQHJQDUSFN-XBQJKBNESA-N	541.651	7.408	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	103883217	PYGJAVBPYSJWNJ-JWGURIENSA-N	583.857	5.779	50	40	KKGB	
C[C@]12CC[C@H](OC(=O)/C=C\c3ccccc3N(CCCl)CCCl)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12	104275828	XZWKOCGAAATECU-ROTDADIXSA-N	575.621	6.807	50	40	KKGB	
ClCCCCCN(CC#Cc1ccc(C#CCN(CCCCCCl)Cc2ccccc2)cc1)Cc1ccccc1	104558745	MWEFNBOGWSEWDM-UHFFFAOYSA-N	573.652	8.212	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@]2(C)[C@@H](C(C)=O)[C@H](Sc4ccc(N(CCCl)CCCl)cc4)C[C@@H]32)C1	118934476	CRLGZAAQVVSCHY-DIALRHTESA-N	622.699	7.400	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341834	QJJVVKLGJWQDPD-IBGZPJMESA-N	862.478	14.086	50	40	KKGB	
CCOc1ccc(Br)cc1C1N(Cc2ccc(N(CCCl)CCCl)cc2C)CCCN1Cc1ccc(N(CCCl)CCCl)cc1C	150378285	KFWVPMAGSWJNIW-UHFFFAOYSA-N	773.515	9.439	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](C)Br)CC[C@]4(C)[C@@H]3CC[C@@]21C	253531088	HQCIIKWOMRRRPN-FUDJBAANSA-N	521.624	8.723	50	40	KKGB	biogenic
COc1c(I)cc(I)cc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1	408541972	GLZALBWDGUKCIT-AWNIVKPZSA-N	555.157	5.462	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccccc1C#N	408566974	BZOQKHTZDMORKO-LSCVHKIXSA-N	503.331	5.988	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	408598780	JPYDDBPKIXEOHL-RWPZCVJISA-N	544.287	6.852	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408650683	MRBAFUJEDQQOGF-LTLYBCNZSA-N	622.741	5.055	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408676680	MFXGHACMUHALFF-RWPZCVJISA-N	602.283	6.063	50	40	KKGB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408683498	LLQKUXYSVKDPPP-BDXSIMOUSA-N	662.118	5.064	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408712069	YFOYZFIPZJXJES-MBTHVWNTSA-N	531.834	5.782	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1	408727723	XFFFDFKFZHKZJQ-AJBULDERSA-N	521.418	6.733	50	40	KKGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	408741374	PLXIXVOVRSOXAE-QNKGDIEWSA-N	550.456	7.103	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c2ccccc2n1Cc1ccc(Cl)cc1	408745388	RGRWTSLKEMKPMJ-RGEXLXHISA-N	504.815	6.960	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1	408746597	SYFUJFDGVUJTHF-LHLOQNFPSA-N	500.001	8.010	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Br)cc1	408747752	SLQVGAVNUZWXCM-KYHGBAKBSA-N	593.861	5.766	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408754846	LNGREUXKCRITCP-ALQBTCKLSA-N	704.640	6.907	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Br)c1	408763743	JWBKJYFCXJEDDE-NHDPSOOVSA-N	735.157	7.936	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1	408788687	MACZHLCYGAXZNC-RQZCQDPDSA-N	627.693	7.775	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	408792473	AGAUXJXCOYVXJV-CAOOACKPSA-N	597.667	7.685	50	40	KKGB	
N#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br	408795384	KZRFHSSWDQXWLL-VZUCSPMQSA-N	530.003	5.966	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1	408799771	KXOCLJMBJAOOEW-HMMYKYKNSA-N	503.385	7.280	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(F)cc1	408810922	KBRAVDIIROZBHT-WQRHYEAKSA-N	513.338	6.251	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408824594	IIMHSOPKXMEWQI-IBBHUPRXSA-N	590.916	6.703	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccc(F)cc1	408826988	LXXCZLUXUOQATR-FJEPWZHXSA-N	560.434	5.881	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408829622	OFWTXGKQTVRQER-LGUFXXKBSA-N	563.028	8.336	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408831508	QXFDOMZSVCFBMT-BUVRLJJBSA-N	614.452	7.070	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2cccc(Cl)c2)cc1	408832661	YLPBWGSGYQIINY-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc(Cl)cc1	408834871	WAQBTQCYAFEAHU-KOEQRZSOSA-N	617.927	8.205	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408835991	OYRBSQKWQFVQGG-QGMBQPNBSA-N	572.401	6.442	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1	408840409	YNVSJMZSWHSPBA-ZMLLCLLVSA-N	515.569	5.721	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408841469	HEGYYTBFCNSGOF-VTNSRFBWSA-N	512.396	7.316	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408845408	MUFXJTJCIASIBL-OJYCWLPVSA-N	595.055	7.366	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408848771	YIIHROMNIKBIHZ-LUOAPIJWSA-N	700.727	6.886	50	40	KKGB	
C#CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC	408851244	APEAVGAXWRFYIP-MSXFZWOLSA-N	520.177	5.132	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408863634	OCXRXWIXDGFPHM-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)cc1	408864742	ZKBUJNNZVYDERX-WEMUVCOSSA-N	571.655	5.016	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Br)c1)C(=O)Nc1ccccc1Cl	408879253	BRBSRPFHZHVNKT-WOJGMQOQSA-N	530.647	7.001	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1Cc1ccccc1Br	408880016	IFLIBUBCCWYINW-LICLKQGHSA-N	560.673	7.010	50	40	KKGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)CC1	408881946	MPFPISWSYQQLMQ-UHFFFAOYSA-N	520.493	5.353	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1Cc1cc(C)cc(C)c1	408885409	ZILBHPFZQXSVEW-FSJBWODESA-N	503.440	6.828	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408887777	UBTPLUBIRLOHCE-MHWRWJLKSA-N	551.835	6.277	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OCc1ccc(C)cc1	408889677	IWELPFSJRMXOPU-VXLYETTFSA-N	650.254	6.338	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408898139	UXEUXBPRDWMWRH-ZSNJKBEMSA-N	609.163	7.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OCc1ccccc1	408900122	SUQHSQCEEVUBKW-XDHOZWIPSA-N	568.367	5.513	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1cccc(C)c1	408925045	SGFVZJXIEUUAGZ-OCSSWDANSA-N	517.423	6.652	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1)Nc1ccc(F)cc1	408933976	BZWPEODNOYCRNB-WKIKZPBSSA-N	510.319	5.116	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C)cc2)c(Br)c1	408940413	CIUSNOZOVGYSPY-MUUNZHRXSA-N	730.479	5.984	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408972356	RVYSIAABZOHIEX-NXANOMBNSA-N	664.368	5.844	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408980177	PRPPFHLVUGMJJA-PNOYGBBQSA-N	576.480	6.593	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	409012912	JELKYNHESKSNPK-GRUJEIAESA-N	647.353	5.422	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409012956	SAIPHZLTVFRRFZ-XODNFHPESA-N	605.283	5.406	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)COc3ccc(Cl)cc3)c3ccccc32)c1	409014613	NIRRZIGRISKAAQ-VEUUAYHBSA-N	593.127	6.216	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1ccc2ccccc2c1	409019006	ZZUWXLMEGRRDIZ-ROPCREHHSA-N	748.209	8.457	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12	409019931	YFCIDGQFNWJZDB-FGBVWZEKSA-N	590.699	6.011	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc2ccccc2c1	409034206	PXLHLVGBVXPMLB-DBSPGSINSA-N	663.515	8.011	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409035504	JYUUEVCLMHEDQB-ZSNJKBEMSA-N	589.120	8.703	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1cccc(F)c1	409037206	SOEDFRWDIJCUAJ-MWBNBJEGSA-N	645.554	8.197	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(I)cc1	409041396	VNMWSQRRXBETIX-GXBUFBABSA-N	627.482	7.248	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1nc2ccccc2o1	409048749	TWMUTKILMGBVBM-CXUHLZMHSA-N	589.081	7.758	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)cc1	409058169	RVJQLBYCLFSBHJ-RQZCQDPDSA-N	625.144	8.042	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409064439	HBZYHIGCGNLRLH-HZHRSRAPSA-N	516.981	6.290	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409069226	WRXLRVVPCRCVGE-HMMYKYKNSA-N	520.010	6.175	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409079886	JZGANWDTKIBYOE-OVCLIPMQSA-N	669.204	7.263	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	409113666	FIORRKZIMBOFIS-UHFFFAOYSA-N	595.547	6.263	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409131235	NTRMXJOOPFELQH-VWLOTQADSA-N	510.009	5.441	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C2=C1CC(C)(C)CC2=O	409132223	NNABIWSECAGEQQ-RUZDIDTESA-N	635.386	6.726	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C	409150703	DDVATTHXXRPIQP-VVEOGCPPSA-N	622.303	5.569	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)cc2c1	409186613	FNWSDAOMBIESBN-VYYCAZPPSA-N	538.354	5.845	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)cc2c1	409187795	UKFFDTZPLOUHHQ-MUXKCCDJSA-N	584.366	5.477	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409220610	CBGUBQINFNYGLP-AMVVHIIESA-N	559.519	6.349	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c2)cc(OC)c1OC	409221903	BMGNHZQNHGKOCQ-UHFFFAOYSA-N	632.467	5.710	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)c2)cc1	409222428	CXMFFPHSKZWBID-UHFFFAOYSA-N	649.339	7.064	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409225367	PMWAUMSZFCPADL-UHFFFAOYSA-N	621.285	6.447	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1	409247524	DCUIMYBHDOQIIT-CSMVZQPBSA-N	505.412	6.211	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409265230	RMDKSPGIPHHDJD-ODLFYWEKSA-N	645.881	6.224	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC	409304849	SFDQKNHAMYDFCS-MWLSYYOVSA-N	588.442	5.749	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1OCC	409310305	UFXVMFGXYCWGGS-RHANQZHGSA-N	523.427	6.064	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409310803	BYGIZJDFNSIFQZ-KMUKQRDJSA-N	602.087	6.416	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)ccc1OC	409312057	JDUXMUWQYORBAL-BVMLUPFRSA-N	618.912	5.998	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1OC	409313059	AXCBSPNZYJWNOH-ZMFRSBBQSA-N	636.355	5.080	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1OC	409317653	QYUHPCAIVOUTNG-FDVSRXAVSA-N	545.405	5.737	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)NC(=O)C[C@H]1c1ccccc1	409320995	DBNUQRVIFCCGKK-AWEZNQCLSA-N	510.335	5.178	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OC	409326987	PPHGDNWTMPGJLJ-LQNQUEJISA-N	600.453	5.915	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409360060	OOSSQQGWISAROK-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(I)cc(I)c2OCc2ccccc2)c1	409370626	CDKGFRHCTBVSJE-LGJNPRDNSA-N	639.231	5.197	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409376890	DVJNUANXYISGRZ-DEDYPNTBSA-N	519.985	5.619	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409383883	NFOGOKCLVXODFE-MZJWZYIUSA-N	558.385	5.116	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397354	IYRFTIDKTIWFGT-UHFFFAOYSA-N	609.963	7.638	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409398183	ROVCVUJBDLYFRB-UHFFFAOYSA-N	586.475	7.832	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409398637	UYFGSVZVAZNSPM-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1-c1c2ccccc2cc2ccccc12	1857795089	LHDZLGWUAJVNNL-CBZWEFONSA-N	585.753	8.886	50	40	KKGB	
C[C@H]1CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c3cc(OC(=O)c4ccccc4)cc1c32	1460193	UKJAZFAFJOEYEB-UGAOPGRHSA-N	559.578	5.017	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccccc1C(F)(F)F	1825764	LEPIZNJXYITLTB-PGGKNCGUSA-N	502.996	5.745	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CNc2c(Br)cc(Br)cc2Br)cc1	3059468	PEGUQYLJEUKFQM-BHGWPJFGSA-N	561.116	5.383	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cccc(Cn3nc(C)c([N+](=O)[O-])c3C)c2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	8396851	YNAMAKMNRSCBHO-WHQPAHRZSA-N	685.779	8.075	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cn3)C3=C2C(=O)CC(C)(C)C3)cc1COc1ccc([N+](=O)[O-])c(C)c1	8456120	JGHPJONXRHPZHG-GDLZYMKVSA-N	644.526	6.589	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1	10476052	AOSVPKIMCSYUAV-KBVAKVRCSA-N	507.417	6.817	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccco1	12250148	URQVNBOEVVQQQF-MHZLTWQESA-N	526.662	6.165	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1cc(Cl)ccc1O	13892817	RRZHBHBRDYYSSJ-OPEKNORGSA-N	508.155	5.445	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	14151984	PSWJREGKCVDZCK-WOJGMQOQSA-N	508.430	6.930	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1	20158757	JPXXLGQWFVGVBF-VFLNYLIXSA-N	513.768	6.924	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(F)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	30735499	YBADYSQSMWNDAZ-LQNQUEJISA-N	501.631	5.922	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1	59500515	GQDAOMFLNJVTBO-LQNQUEJISA-N	522.001	5.706	50	40	KKGB	
CC1(C)OC(C)(C)c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2-c2c1cccc2P(=O)(c1ccccc1)c1ccccc1	96171885	BTTXMDUMOZVALG-UHFFFAOYSA-N	652.711	8.133	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OC(=O)c1ccc(C)cc1	97961782	ZERVMYTVVFWOAW-LGJNPRDNSA-N	546.215	5.512	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292895	MUKWBISEPZWJQU-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1	100858578	OPBKURBIHSULKF-IPPBACCNSA-N	576.303	6.088	50	40	KKGB	
N#CC1=CN2[C@H](C(=O)c3ccccc3)[C@H](c3ccc(Br)cc3)[C@@H](C(=C(C#N)C#N)c3ccccc3)[C@H]2C=C1	102416579	WPNWFDHBIAIXKW-RJIGRWNCSA-N	557.451	6.563	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccccc2Cl)NC(C)=C1C(=O)Nc1ccccc1	102719308	ASXLDKQMJTYDAQ-MUUNZHRXSA-N	559.091	6.445	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	102808993	RZLTVHHXODIKSP-VWLOTQADSA-N	550.080	5.954	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc1OC	103042607	GPNSTTGRQUQIGC-UHFFFAOYSA-N	611.695	5.673	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12	103888337	LVXNGYQXCXYTDL-IWIPYMOSSA-N	588.445	7.276	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	103890206	NHLFRCVBRPRYPX-JCMHNJIXSA-N	550.873	8.179	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)c2ccc(C)c(Cl)c2)cc1	103900680	VCRIUDKGJHCOEI-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Cl)[C@@H](Cl)c2ccc([C@@H](Cl)[C@@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	105491739	LYNBJUDBJRYFET-LRSLUSHPSA-N	604.186	7.839	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)c1ccco1	112254737	SEVVHESZHCMJQG-WCLDHPKISA-N	556.405	5.553	50	40	KKGB	
CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341722	OQYXZBKFJKBCPX-OAHLLOKOSA-N	956.391	14.432	50	40	KKGB	
CCOC(=O)[C@H](CC(C)C)NC(=O)c1c2c(c(C)c3oc(=O)c(C)nc13)Oc1c(C)c(SC#N)cc(C(=O)N[C@H](CC(C)C)C(=O)OCC)c1N2	150383045	XANXZFNCXKCALC-PKTZIBPZSA-N	721.833	5.951	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)c1cc(-c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)cc2)nc2ccc(Br)cc12	150397623	SBHKIKZONLPRAK-MFLHMUIMSA-N	689.965	7.376	50	40	KKGB	
Cc1ccccc1C1=C/C(=C(/SS/C(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2\C=C(c3ccccc3C)SS2)C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)SS1	150435248	USTZDWIBEMKHEZ-IHQGOOSRSA-N	968.854	13.586	50	40	KKGB	
COc1cc(C(=O)NNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	150451193	GLCIUIGKSJJRLL-UHFFFAOYSA-N	642.561	5.785	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)c1	164735705	NUWRWVPBGBPFPE-MFOYZWKCSA-N	642.118	7.794	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCC[C@H](I)CC(F)(F)F	169795365	UIXIIUBOQPSXAD-RYUDHWBXSA-N	558.126	7.619	50	40	KKGB	
O[C@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1SSc1ccc(Cl)cc1N[C@H]1CCCC[C@H]1O	254737985	BSRKUWPLOROVET-YHDSQAASSA-N	513.556	7.224	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408537905	HXHVFMDCJZPXAE-NDZAJKAJSA-N	576.693	7.805	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1	408539174	UNUJFRISEWXKNT-JFLMPSFJSA-N	569.057	6.739	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408540377	QYHWCCYHTAYMPB-MZFJOGFUSA-N	555.587	5.924	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408551503	DFDYIDLCOLRAOT-CIAFOILYSA-N	578.521	7.667	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2cccc(Br)c2)o1	408570037	RPTWJNSVSHPBKI-ZMOGYAJESA-N	503.443	5.717	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5C[C@@H](Br)[C@@H](Br)C[C@H]5C4=O)c(C)c3)CC2=O)cc1Cl	408639298	FOPACFPRMSSAOL-DRYZZIBHSA-N	652.767	5.342	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408641949	LMYKDDPXNDIIOA-FATVKVNYSA-N	716.810	6.030	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408676144	AEINXGAGKBOMPE-VQHPVUNQSA-N	634.108	5.381	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1cc(C(F)(F)F)ccc1Cl	408683226	HRKRJYONHNHSSU-MVJTYMMSSA-N	577.770	5.269	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(OC)cc2)cc1	408718557	YGUQDIXUDBWQID-IFQUFVRCSA-N	828.470	7.195	50	40	KKGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)OCc1ccccc1	408736558	CNYDNBVXMUWOPQ-LNAWVJDKSA-N	546.627	5.735	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc2ccccc2c1	408745108	JUFZYGQPNIQKID-XKZIYDEJSA-N	594.836	7.231	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)ccc1I	408748066	XWCZIJFJRHTFNW-UVHMKAGCSA-N	590.215	5.277	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2Br)cc1	408749527	QGMWOACVXXYTMI-ZMOGYAJESA-N	552.244	5.052	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408750609	PJECZQYZAKLJKN-BJUCDSOZSA-N	757.193	7.168	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1I	408763025	NDKCARREUGXMJN-STZFKDTASA-N	609.261	7.332	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1)Nc1cccc(Cl)c1	408778374	SIYSDDJVMXDDBB-VTNSRFBWSA-N	564.494	7.067	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1c(Cl)cccc1Cl	408781843	FFCAICUIVSMMGY-ODLFYWEKSA-N	621.302	7.738	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(I)cc1	408788321	CEVOVCLJDWUTLE-LICLKQGHSA-N	623.672	6.840	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2I)c1	408790679	QUDQEEKLOLWIIM-VCHYOVAHSA-N	636.227	6.035	50	40	KKGB	
COc1c(I)cc(I)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	408795098	KYTOPVKAXTZTRV-IZZDOVSWSA-N	564.548	5.103	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(C)c(C)c1	408806981	NVAGNHDITXCECR-RGVLZGJSSA-N	572.830	6.695	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)cc2)cc1	408813169	OMOGUKTZGFZAKG-STZFKDTASA-N	524.358	5.102	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408817532	NKTFFEDSQGQGPS-KYHGBAKBSA-N	686.344	6.526	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1	408821248	FHNHLHQNVNXVPR-JAIQZWGSSA-N	552.381	5.177	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OC(C)C)c(Br)c3)cc2)cc1	408822525	BAZSIUBSQUHEFM-HYARGMPZSA-N	505.412	6.669	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccccc1	408826578	HGXKYVQLUPJBOK-ZCTHSVRISA-N	532.641	5.141	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OCc2cccc([N+](=O)[O-])c2)c1	408830419	PLVQXGPTUXYTSQ-YZSQISJMSA-N	549.583	6.616	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	408830550	YPFMWNGMRAKALE-NLRVBDNBSA-N	509.005	7.352	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408830742	OPKGAYYLBNNEIN-JJIBRWJFSA-N	557.419	7.292	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839089	MUFNYYGUZSEXDU-QQMJPZKZSA-N	765.742	10.382	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)NNC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408839178	OIUPPPWRFKLCSD-AWNIVKPZSA-N	520.954	5.190	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc2ccccc2c1	408839835	AUESKYJHHBARNB-XJECJHNESA-N	590.627	7.339	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408840021	WYQKJSDWJMIMSW-ODQASSKESA-N	743.454	9.125	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)NNC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408841338	FKUMTPYMRUGHEL-AWNIVKPZSA-N	510.402	5.935	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(C)c([N+](=O)[O-])c5)c4C)cc3)cs2)cc1	408841688	GSLMAEZSIZNVFU-VTNSRFBWSA-N	564.671	7.250	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408845525	GHDDAMSOOGADEY-AEVGBRMKSA-N	667.818	9.518	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(I)cc1	408845834	HQFLJIVFEKRKJM-MUXKCCDJSA-N	666.253	6.384	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)c(Br)cc1OCc1ccc(F)cc1	408846067	IIKLHLNSGGBOBW-UVHMKAGCSA-N	550.222	6.092	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408847789	UQKUGOARIMETKF-PTEHHBOZSA-N	686.846	9.619	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1	408862811	JKSAXRKERMDHCH-DFDRJONSSA-N	675.207	5.482	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408867309	LKCHTRGPEMWUNJ-JEPNHJGPSA-N	680.621	6.398	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc2Cl)cc1	408867771	NKGQPXULHRGGHU-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1Cc1ccccc1Cl	408868674	NYRGPIUKIUBUOP-LZYBPNLTSA-N	597.667	7.396	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408870609	WFZGFSQJIMFVRY-DPNNOFEESA-N	612.535	6.235	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408871659	IFCFEENKHXKIFV-ODQASSKESA-N	739.903	7.959	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408876206	JXPKXFXTMPTNIC-UXHLAJHPSA-N	556.084	5.266	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc(Br)ccc1O	408877555	SGBHZKQAFFRERV-KALUYTGESA-N	661.970	6.785	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	408882969	PSVNDDGLOIEFBL-RPLACLTLSA-N	635.474	5.253	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)cc1	408884048	XPRGPMBBCDSWCB-CXUHLZMHSA-N	532.361	5.523	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1Br	408888742	ZXSQHSZFNRVEMS-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OCc1ccccc1Cl	408890402	SMPILZXXRSCYRN-XDHOZWIPSA-N	507.930	5.780	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC(=O)c1cccc2ccccc12	408892398	ZETZBVVCTOGUQU-XMHGGMMESA-N	517.368	6.920	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Br)cc1	408905086	SVGHSTZMYKPESB-WKIKZPBSSA-N	551.353	5.193	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc(F)cc1	408905545	ZASPUDPGJPNSSB-QDTIIGTASA-N	579.264	6.792	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1C#N	408944545	IYNLAJZFUOHBOR-MUUNZHRXSA-N	652.560	5.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c(OC)c1	408953698	XUEXDXCUPPMDPJ-ASODJSTMSA-N	685.561	5.700	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	408963370	NQNHLTDUXLFZBN-MHDJOFBISA-N	509.503	6.595	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408973351	YNVNLNKADQGPBQ-RCIBEZFCSA-N	689.423	7.533	50	40	KKGB	
C[C@H]1CCCCN1c1cc(N2CCCC[C@H]2C)c(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1[N+](=O)[O-]	408977327	WVWTYQYXYHTPIK-YVVCTBMISA-N	550.667	6.056	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c2ccccc2)cc1	408980865	TYLBGTQIKHTQBA-FZEGLUMNSA-N	550.684	5.558	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	409021817	ACBVQAKNIQOLSO-CPDSRJINSA-N	529.940	6.353	50	40	KKGB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2-c2ccccc2)cc1	409030866	IGWWBTKVZJBREG-GLNSOGGISA-N	582.707	9.099	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2o1	409090471	NKODYWIUJWDVJS-NTUHNPAUSA-N	520.250	7.918	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccccc2)cc1OC	409123470	GMACHBPTAMDOHV-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	409131007	XPRFNYUOTGGPOS-RMLRFSFXSA-N	544.073	5.100	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409138427	BOQRAAIGTRQOEU-DEOSSOPVSA-N	649.811	6.827	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)cc2c1	409185018	PNOCATLLURAUAG-QDTIIGTASA-N	528.348	6.389	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409188889	BQYYPVIKLGJOMG-UNOMPAQXSA-N	526.431	5.140	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(F)c1	409189961	ONGLJLCCNCOIFZ-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)NC1CCCC1	409190341	XFWWUQPNUSCYIX-BOPFTXTBSA-N	551.222	5.598	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1	409216096	IAJSHEMYRKDPBX-DHRITJCHSA-N	536.822	5.766	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(C)cc1	409221568	SCGHBMHUINGDFH-XYGWBWBKSA-N	533.466	6.391	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1	409223598	IUFRSRUGSLHLBX-AQISJEJMSA-N	647.869	6.646	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409253872	CKYJLDDKDLOHGF-CAOOACKPSA-N	622.825	7.002	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409257290	NYKXCLWZEUBNMT-YBFXNURJSA-N	510.377	5.243	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409311656	GXBQYDSFMCRIIA-MBTHVWNTSA-N	617.409	6.018	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC)cc1OCC	409318659	WSVVOJOBWTUFOG-CFRMEGHHSA-N	528.241	5.562	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409360400	FGXKYYRTOQUVPZ-VFLNYLIXSA-N	506.817	6.187	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	409366494	VIIJVVOMTONFIG-VFLNYLIXSA-N	595.719	6.405	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409370223	NDXQGUJZSGWLPA-BRJLIKDPSA-N	610.202	5.313	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1cccc(C)c1	409387882	XUXGXLUPZXCZPW-UVHMKAGCSA-N	601.422	6.074	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409391594	IXBFAAREWICYDI-IDUWFGFVSA-N	507.186	7.547	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409395314	MENWPXCIZDNOCZ-UHFFFAOYSA-N	632.301	7.759	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409396760	AWCNVKZAIWNIJH-UHFFFAOYSA-N	693.925	7.483	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OC(C)(C)C	409403601	NMJQJINQMAJCGA-CAQPMQTCSA-N	574.634	6.514	50	40	KKGB	
COC(=O)c1ccccc1-c1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)o1	409409972	SFJWAKVAGUOQET-CAQPMQTCSA-N	537.572	6.077	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]12C	504427466	YHFMMZUOMCRTSB-XAXLCOJFSA-N	521.295	10.208	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(Cl)cc3)cc2)sc2c1CC[C@@H](C)C2	1785252	QAFLMJYENCCNIA-RZQDWPBMSA-N	568.095	5.873	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1	1790597	QHDXEQMIJOEQPL-YMGIJWJESA-N	508.430	6.367	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CCCC2	1805808	OYXYBPFMRHALTA-SDNWHVSQSA-N	548.970	7.281	50	40	KKGB	
O=C(CNc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(Br)cc1	2190179	PMNYYGKADZUZKP-QPSGOUHRSA-N	568.889	5.299	50	40	KKGB	
COc1ccc(Cl)cc1/C=N/NC(=O)COc1c(Br)cc(Br)cc1Br	3085566	UYRBMBLYJWYIOO-QPSGOUHRSA-N	555.448	5.165	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(Br)cc2Br)=C(C#N)[C@@H]1c1cc(C)cs1	3622235	AURBMTCBHXKMHL-OAQYLSRUSA-N	595.382	6.547	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2cc(Cl)cc(Cl)c2)cc1	59436883	ULOBLWZGZHQQPG-CCVNUDIWSA-N	518.466	5.573	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=N\NC(=O)COc2cc(C)ccc2C)cc(OC)c1OC	97957946	KKIBWVGOXORZPM-YNFMAFFXSA-N	650.320	5.603	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	97999577	WCABAIKPWCMQEO-GDLZYMKVSA-N	558.103	6.768	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	100343454	MCMXOWSWVVKGSU-HNSNBQBZSA-N	601.729	5.024	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1Br	100852215	SNOBSBMOPBOJPG-LJUMEUDFSA-N	592.563	6.554	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)sc(C(=O)OC)c1C	101089883	PGIAKINNFXUXAG-UVTDQMKNSA-N	532.441	5.882	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC3=C2C(=O)CC(C)(C)C3)cc1	101564554	ACIHWYBBOAAVGN-XMMPIXPASA-N	542.488	6.439	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cc(C)ccc3C)=C(C#N)[C@@H]2c2ccco2)cc1	102808311	YYAAAUCBKXEBEW-MUUNZHRXSA-N	542.661	6.002	50	40	KKGB	
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CI	103527860	RMLBUQPYOQBSRD-UHFFFAOYSA-N	541.995	6.134	50	40	KKGB	
Fc1cc(N(CCCl)CCCl)ccc1/C=N/CCC/N=C/c1ccc(N(CCCl)CCCl)cc1F	104091313	NUQWRRWRWHJVBD-XYHIKERESA-N	566.351	6.461	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC3=C2C(=O)CCC3)cc(OC)c1OC	106098812	KKMYZOODYYJFQU-DEOSSOPVSA-N	584.492	5.276	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	107782120	YAMWLADZXGRWKF-AFUMVMLFSA-N	502.206	5.483	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)c(C(=O)OCC)c1C	108279761	FTAGNDZVGLZHES-HZHRSRAPSA-N	531.630	6.016	50	40	KKGB	
CCC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1	118918292	HNLMHAUNUCSDSQ-QUYUYDMXSA-N	549.678	9.503	50	40	KKGB	
Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)c3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)c3ccccc3)c2c1O	150365026	QJWMMDMDBMECEP-DKFPTVNJSA-N	754.840	8.285	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1OC	150474860	HUKZGGHTNSOWJV-FZKWRIDDSA-N	643.593	5.802	50	40	KKGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cc2cc(Br)cc(Br)c2o1	209533440	LTPDVIHRZUIWCO-BRJLIKDPSA-N	551.235	5.339	50	40	KKGB	
O=[P@]1(NCCCN[P@]2(=O)OC(CCl)=N[C@@H]2c2ccccc2Cl)OC(CCl)=N[C@H]1c1ccccc1Cl	301054525	YZXXGKKALYTQGN-FHQWWAISSA-N	598.191	6.981	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c(C(=O)OCC)c1C	408546720	NXKXVXWSVGCYOT-QGMBQPNBSA-N	838.285	8.224	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(C)cc1	408566984	CBFZVMIZSQYMPQ-GRSHGNNSSA-N	506.375	6.815	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	408583223	SODCUJKLUNFYFF-LZYBPNLTSA-N	534.874	7.149	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408611456	WIBAUZGFTKMXMC-QGZVFWFLSA-N	548.854	6.121	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408642217	DSUVSUMIOUKCLQ-XRQKGFATSA-N	673.185	5.409	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408646705	UEGBVXUMWZVMQQ-YRPNKDGESA-N	743.257	6.436	50	40	KKGB	
O=C(NNC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccc(Cl)cc1	408647173	BHMGSLFILVWADS-VERLUNMRSA-N	644.942	5.306	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1	408656512	SSUSCBMGZRIHTQ-KPIIRZJKSA-N	663.577	5.665	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1OC	408728744	SMFDJPKIXQOKOH-STKMKYKTSA-N	592.117	6.215	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)c2-c2ccccc2)cc1	408741608	KHKJAFGBRNWPGJ-JBASAIQMSA-N	537.663	8.373	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408743584	GVVBQSFHPAOXBM-UYRXBGFRSA-N	522.355	5.881	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1	408746843	WNUYXUDHOYOMEC-UNOMPAQXSA-N	511.803	6.626	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)ccc1I	408748011	XAKBFJYOWFDIBC-RPPGKUMJSA-N	630.195	5.386	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc2ccccc2c1	408752210	GPKPNHWUJWZMPK-WSDLNYQXSA-N	562.261	7.489	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Br)c1	408753241	FTSRYBJYKMCLFU-UUYOSTAYSA-N	609.261	7.332	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1cccc(Br)c1	408754140	MCKZYRPFCBUZNW-BOPFTXTBSA-N	525.233	7.305	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)cc1	408760324	WRLSQSVUFBIAHV-YBFXNURJSA-N	590.293	5.511	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408760994	BSBZHPFTIQYVGG-STZFKDTASA-N	562.261	7.489	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1Cl	408788506	KLYVMQWJAKSHTL-LICLKQGHSA-N	640.646	6.674	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1cccc(C)c1	408792309	AIYNFYCYUXVRPF-WSDLNYQXSA-N	552.412	6.350	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408792853	LTCLJNVJKQRQIU-VXLYETTFSA-N	522.355	5.799	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1C#N	408794929	KPJCMRNCTLNPBF-DJKKODMXSA-N	533.338	5.362	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(F)c1	408795822	WHALFDTZFPARLO-SRZZPIQSSA-N	523.402	6.728	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408796736	PSIMMNPWMUMAGU-RGVLZGJSSA-N	580.391	5.667	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc2c(c1)OCO2	408809015	HAPNEHXXLQFRQU-NVMNQCDNSA-N	539.357	5.840	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408829088	KLEZLZMRLUDDLW-IRWBXMRWSA-N	671.956	7.727	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1C	408833982	UDEHVMUYHAEXCU-ZMGVVAQMSA-N	613.523	5.683	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC	408839046	MBOWEJMBDSOCTB-DPNNOFEESA-N	632.467	5.710	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408840664	HPNHSOPIENTERZ-BIZUNTBRSA-N	606.542	5.991	50	40	KKGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408849284	ZICXMTVIUHOZKH-LUOAPIJWSA-N	556.825	6.062	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(F)cc1	408856625	JLCQBEVMDZELOQ-DBSPGSINSA-N	673.526	7.938	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408859941	VWABXLDCMLWMLE-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408863434	OKHLTBPHHXGEEC-QXUDOOCXSA-N	622.143	5.980	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(C(C)C)cc2)cc1	408864650	YXUFGOXOECGCAK-VTNSRFBWSA-N	584.525	7.031	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Cl)cc1Cl	408865398	CJYRURZPNDPYOL-YBFXNURJSA-N	500.223	7.201	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)c1	408870008	UUDRRADQHWILAU-KEBDBYFISA-N	527.404	5.822	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(C)cc(C)c3)o2)cc1	408874028	YSYOFZRZEOKYFG-BJUCDSOZSA-N	627.550	5.992	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)c1cccc(I)c1	408887658	SFZCRMHTZSONHV-RWPZCVJISA-N	599.222	6.190	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OCc1ccccc1Cl	408890704	XWVWURIFMBKNQI-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OC(=O)c1ccccc1	408891046	KJWAKNNLNSQAGF-STBIYBPSSA-N	517.379	5.984	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2I)cc1	408892645	BNRNAGNQVUSMFR-LUOAPIJWSA-N	665.096	6.854	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1Br	408898074	KGCDPGLRLOHTES-LICLKQGHSA-N	576.672	6.998	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1O[C@@H](C)CC	408909608	HLKLINRLQIKCBJ-VFKGCLKRSA-N	525.443	5.411	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408926249	WNLQUPBRUZZXPH-CXUHLZMHSA-N	649.863	5.291	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(I)c1	408945034	KAANJBAZRUTANY-MUUNZHRXSA-N	719.001	5.409	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	408947511	NTWZWIALKZCJEJ-WJOKGBTCSA-N	860.512	6.513	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OCc1ccc(Br)cc1	408952540	KQGJRDKJZPYQLA-NSJAHCMFSA-N	721.605	5.494	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCc2cccc(Cl)c2)c(OC)c1	408952993	LFAJPXNCVDAKBT-SXWOMVPGSA-N	762.985	5.261	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccccc1Cl	408966943	ODFOHLWNJMLJFJ-VFLNYLIXSA-N	530.781	5.855	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c(F)c1	408968545	XACGCZHJCXCWEL-LUOAPIJWSA-N	576.176	5.473	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408970628	JLTYHTBZHHXZLK-DIXULHDNSA-N	595.439	5.807	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408971750	KQZPLSNZKBAGQY-QWVXJYIGSA-N	624.952	6.871	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)c1	408992592	APDXDRKSOVOTPO-IPBVOBEMSA-N	617.121	6.879	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)S(C)(=O)=O)cc1	409025543	WWZGXHMYSCCGCQ-OKCVXOCRSA-N	556.471	6.292	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)c(C)c1	409028857	RQKDSHVBZWQLOA-IOQCEILHSA-N	558.704	5.808	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccccc4)(c4ccccc43)[C@H]2C1=O	409031490	GXQQVLZEHWDVOC-QJYRWMSASA-N	560.053	5.544	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)c1ccncc1	409036284	QTCREXXFZNURHL-BQDOHOHCSA-N	567.432	5.355	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Br)c1OCc1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409040912	VCJIZLKVJMMGQV-KVAAJVFYSA-N	605.319	8.314	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(C)C)c(Br)c2)c1C	409048544	RTPKMSVMWAZQIC-CAOOACKPSA-N	506.238	6.409	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409065484	MDJNWDIIRLIIRZ-OEAKJJBVSA-N	565.453	7.032	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)c(C)c1	409070679	GJSYJLZYFXMWIL-WOJGMQOQSA-N	590.293	6.142	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(F)cc1	409082775	NDDDCGCEPMDYIX-NTUHNPAUSA-N	606.158	6.505	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(F)cc2)cc1OC	409115989	KVRKKVLQXSPPAE-MHDJOFBISA-N	633.529	5.903	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(Cl)cc5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	409147619	YXELFUNOSAVMTK-UAPQTLPUSA-N	594.498	6.197	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1	409152180	JQPWVQJVVATJRM-AMVVHIIESA-N	620.287	5.427	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccco1	409170536	VGQGQJHUXXVCIZ-WKULSOCRSA-N	508.361	6.182	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1)S(=O)(=O)c1ccccc1	409185633	NQXCVXKNUWGRLD-ZTMJXLMTSA-N	675.207	5.482	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)cc1	409219556	RUBWVRRLCWHBDX-CPNJWEJPSA-N	520.383	5.329	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409225545	QXRSLRHTFXDQLL-VVDQRGQHSA-N	716.213	8.153	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc3c(c2)OCO3)c1	409225556	QZWXFUSQCYOBBE-UHFFFAOYSA-N	729.765	6.838	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccc(Br)cc1	409231128	HSWROEOTANBYAL-UYRXBGFRSA-N	538.367	7.325	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)c1	409249495	IRVHVEIEPJLXHA-AEUUOICLSA-N	654.590	7.714	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)c1	409253946	CIKFEHFIOUCVHM-MWBNBJEGSA-N	610.139	7.605	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccccc1Cl	409259213	XFRBTIPRVCXKMR-IRWBXMRWSA-N	774.322	9.167	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1	409267506	WGLCPFMLILBKLK-WQRHYEAKSA-N	598.837	5.461	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409303425	MVGPPQUEEOHRDE-DICXZTSXSA-N	537.421	5.322	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409309929	OBPSATBOMYSEBE-RTBURBONSA-N	525.841	5.717	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)c(Br)c1	409313448	CANQCARGRXPPSA-OAHLLOKOSA-N	535.261	5.231	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409318592	XEAPBPLRFWNVPX-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)O)ccc1OCc1ccccc1	409319082	ZWXBNRXXXVYYIU-QDTIIGTASA-N	606.267	5.417	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1OC	409323033	MGGNYMBSUOQKAI-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Cl)c2)ccc1OCc1ccccc1	409324534	UQXQNSLITLFHMY-OHUYPAJKSA-N	532.999	6.800	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)cc1	409364449	PPTCULUODDSZMQ-ATVHPVEESA-N	524.346	5.160	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409371128	BIHXZALYNDXJTC-GRSHGNNSSA-N	524.327	6.307	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1c(Cl)cccc1Cl	409372787	QOJBBBYTAVVBOU-FXMZOFOKSA-N	624.171	6.404	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)cc1	409378133	MJZYLIQTYCDHDZ-CPNJWEJPSA-N	535.984	5.319	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c(OC)c1	409383821	JKKKPXMWNVBITP-FJEPWZHXSA-N	692.291	6.409	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1	409388044	SXQPNTWBCYAQNR-ATVHPVEESA-N	540.801	5.674	50	40	KKGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c3ccccc32)o1	409390048	DHQYDLHATRXJCP-IPBVOBEMSA-N	646.235	5.946	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)cc1OCC	409394414	ADOKMOAJMSSXQY-UHFFFAOYSA-N	695.397	8.685	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)cc1	409395421	NIYXUYBGRBJLKD-UHFFFAOYSA-N	744.665	9.067	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C)cc(C)cc2c1-c1ccccc1	409395516	OOXVOCHAHMQYEK-UHFFFAOYSA-N	630.926	7.859	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396425	PZXNWZVIEZEYSZ-UHFFFAOYSA-N	620.027	8.197	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409396873	CHFHRNKTNAHQKJ-UHFFFAOYSA-N	650.946	8.576	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)c1	409397971	PVEXNUDDTOVXNX-UHFFFAOYSA-N	567.045	6.546	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)[nH]c12	409398135	RCCMMLDWZCDBIX-UHFFFAOYSA-N	592.833	6.836	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)cc1OCC	409399274	YSUQYDMTUACOGN-UHFFFAOYSA-N	695.397	8.685	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(Cl)cc1	409405748	VANKDYKVUMFBAQ-FRKGHFGRSA-N	711.440	9.077	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1Oc1ccc([N+](=O)[O-])cn1	409406619	XHCDAIZGUJEYDA-UHFFFAOYSA-N	581.585	6.134	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(Br)cc1Br	409407031	YPHIPKVUHXRFRB-RPHGGDOWSA-N	865.211	9.668	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	1529545717	AZHSGFLPUODWJC-FWSRZAFXSA-N	671.603	5.856	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccccc2F)cc1Br	1529548169	YKFYQHXVBYDEFQ-MOEPSENCSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(I)c1	1529548353	DMLAYKNEGNIHNF-ZXFVVSEZSA-N	835.515	5.694	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1	1906060	WLPOBNHBKJXZNI-RCCKNPSSSA-N	524.484	7.001	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C(=O)OC(C)(C)C)c1C	2335901	MBJQFFLVCAFWDE-WJDWOHSUSA-N	539.635	6.017	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C	2376821	FDPBGEIUAYUQLO-VBKFSLOCSA-N	513.616	6.428	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2Br)cc1	8385190	CPCRKRYLEIMMSL-JNMVMDAXSA-N	539.514	7.649	50	40	KKGB	
CCCCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1	8427011	CMCYNFXKFAJDQO-JBASAIQMSA-N	522.667	6.266	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2cccc(C#N)c2)c2ccccc12	8812968	FESZGJIINHTHSV-WKULSOCRSA-N	501.384	5.405	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1Br	20760346	GPWJMWCHGRTYKU-KKMKTNMSSA-N	501.211	6.523	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1Cl	32520705	YUEGPBXODPTLKO-MZJWZYIUSA-N	512.056	6.170	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cc(Br)ccc1O	59501723	NAOLDJCHIGMHDZ-WYMPLXKRSA-N	504.178	5.260	50	40	KKGB	
O=C(N/N=C/c1cccc(Br)c1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	59856198	CWEBAQPMYROETF-VUTHCHCSSA-N	548.462	5.609	50	40	KKGB	
CCc1ccc2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n13)C(=O)N2	97968863	JGPBDSPALVXNPM-UHFFFAOYSA-N	538.611	5.653	50	40	KKGB	
Cc1ccc(P2c3c(C)nn(-c4ccccc4)c3N=Cc3c2c(C)n(-c2ccc(I)cc2)c3C)o1	97983453	VDSKOOVTXWNYOY-UHFFFAOYSA-N	590.405	5.916	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999839	ZMCUOSJHYIKMMI-YTTGMZPUSA-N	595.721	6.380	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048729	QAHLTLRKAYWTFD-HHHXNRCGSA-N	526.618	5.107	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)c(OC)c3)n2-c2ccccc2)cc1	100342377	DXOICCPSMFETTB-UCMJSZAQSA-N	579.682	5.773	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)c1	100904251	DLZRTOPINLFGPP-RCCKNPSSSA-N	564.461	6.020	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	102810069	IMHMLNIXEBICIY-VWLOTQADSA-N	568.646	6.782	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccc2c(c1)Nc1ccccc1S2	102978213	KAGDJNZFHQJKTN-JEPNHJGPSA-N	540.648	7.362	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	105585486	NLVMJAXHGKKRKO-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
FC(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341885	NLMCTJLWRIPRTP-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCCCC	150382822	KJUBEGIFERPZLX-DUXSXYCBSA-N	792.907	12.827	50	40	KKGB	
NNC(=O)[C@@H](CSC(c1ccccc1)c1ccccc1)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1	150383125	UNCVLMNZIBQLLX-GYOJGHLZSA-N	781.016	8.004	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	207155663	RRLZVWZZGSRIHG-MTJSOVHGSA-N	511.405	6.203	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Br)cc1	216048537	WQOSVGGYMYQCSK-WKULSOCRSA-N	529.862	6.390	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408551153	LOOHXBHOCNISDD-QFEZKATASA-N	588.445	7.233	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552341	RSLCOIPFXRISNA-RQZCQDPDSA-N	615.322	7.287	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)cc1Cl	408601943	CMEIJVOPDUJSHT-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OCc1c(Cl)cccc1Cl	408612318	YDLKEZZELDYFMJ-HNNXBMFYSA-N	534.827	5.731	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1	408638870	UJIRWOQETKHNOX-KDYSTLNUSA-N	552.042	6.692	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408638947	DRXAXBJTHKRTAM-YVSFHVDLSA-N	662.118	5.064	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408725255	GKUNPHHRDVMMMD-KKMKTNMSSA-N	614.223	5.787	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2I)cc1	408740580	CGKYBFFKOSAQHR-ODLFYWEKSA-N	620.228	6.329	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(I)c2)c1	408745384	RFCOTJDPJKZRBJ-UNOMPAQXSA-N	528.777	6.378	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc(OC)c1OCc1ccc(Br)cc1	408747700	RRUKEHKZWIITBS-WKULSOCRSA-N	635.296	6.142	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1C	408786632	UFNSEJBOCNUAJD-YVLHZVERSA-N	515.875	7.222	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(C)c1	408788424	CWYGMYLKOFCCGI-QGMBQPNBSA-N	609.145	8.260	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(I)cc1	408788945	NGKLFTAFXWAPQF-UDWIEESQSA-N	572.830	6.776	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(C(=O)O)cc1	408790929	ZJWDABSPMVJUCR-SRZZPIQSSA-N	535.394	5.897	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)c(C)c1	408792420	JXMHUORUUJEJKE-YDZHTSKRSA-N	637.315	7.948	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(O)cc1	408792516	ANDQXVSEUNQBSP-VIZOYTHASA-N	644.090	7.191	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408795508	MNEPTTVCUJHRCB-VCHYOVAHSA-N	556.800	6.534	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2cccc3ccccc23)c1	408800087	KHSPKZCXARCBQP-FYJGNVAPSA-N	503.385	7.280	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I	408817204	KWOWNMNPXGCBRL-QDTIIGTASA-N	600.210	6.014	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1cccc2ccccc12	408821455	HPHPUWRJMUWYHA-TWKHWXDSSA-N	554.646	7.861	50	40	KKGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408823294	DSNZBSYBWAVKSK-XSFVSMFZSA-N	503.385	7.280	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(C)cc2)cc1Br	408827827	HCKWZPMBBISEJP-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408829165	OLVARQRZDFNXGN-FADJLKOXSA-N	537.063	6.305	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408831620	USFDWYPTYUTVEE-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408837363	DEOWQYPTWLXLIB-VVEOGCPPSA-N	643.387	5.877	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408837704	LSQKOXDKTXULJO-JEPNHJGPSA-N	652.169	5.989	50	40	KKGB	
O=C(N/N=C/c1ccc(O)cc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408839609	URHIVJKTCYZCSW-RPPGKUMJSA-N	528.815	6.039	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408841102	IYTUUVQVTZXEQE-IPBVOBEMSA-N	613.317	6.635	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5cccc(F)c5)c(Cl)c4)cc3)cs2)cc1	408842249	JPHQNKOBVQTYHW-QNVXDBMFSA-N	605.522	8.651	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl	408842504	OGNNBMFFFAZXJN-LUOAPIJWSA-N	562.306	5.624	50	40	KKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cc2cc(Br)ccc2o1	408850888	FOTAHEGTRNDTJV-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)cc1	408855844	FVDAHDITGDXWKZ-PXLXIMEGSA-N	505.412	6.589	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OCC	408863690	QABKGAPYHRJVGY-YFJQOWMZSA-N	503.624	5.022	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OC(C)C	408867734	MRYGDIPIQXQQBG-OVCLIPMQSA-N	544.311	6.042	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408875276	ILZBSWSNIOLMDA-QLQYKETESA-N	634.198	7.095	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Br)ccc3ccccc23)cc1	408875403	FIAGENPPZXLOAG-HKOYGPOVSA-N	539.429	6.915	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408883760	URXNUOKOPNDMAZ-LFVJCYFKSA-N	589.069	6.549	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	408884379	WXGMGJJIRHBYHH-JFLMPSFJSA-N	518.323	5.494	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccc(Cl)cc1	408887092	NUAWTZRXAHGAHA-VCHYOVAHSA-N	637.699	7.230	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccc(F)cc1	408896978	VDJUYWNSCPSQRM-LDADJPATSA-N	528.321	5.564	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(OCC)c1	408944618	JDVOAVZHOIKVST-SSEXGKCCSA-N	725.618	5.041	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Br)cc1	408972844	WEDHTQVJWOSSKO-RXKJZGMASA-N	675.418	6.168	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409004558	ALYGEAVBIKROFY-OJYCWLPVSA-N	551.687	6.253	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccccc1	409032850	DQGZKBVZFSIXCB-APTWKGOFSA-N	566.455	7.016	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(F)cc1	409034255	NJFZLNUFYMWZGI-APTWKGOFSA-N	505.549	6.392	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(Br)cc1	409035809	KHZGQZFNPRMQMT-APTWKGOFSA-N	566.455	7.016	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1cccc2ccccc12	409042803	CTAWYGSUBIPHGM-DBSPGSINSA-N	663.515	8.011	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(Cl)cc1Cl	409050571	XDSOWCXSYJNQSE-XJECJHNESA-N	635.345	8.323	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1	409066022	JTYBADMKKBZWQX-QGOAFFKASA-N	604.422	5.012	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1	409072592	SZRCQELCFKQUSF-OQLLNIDSSA-N	596.684	6.178	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1cccc(Cl)c1	409075235	QAMGFBXQFSIXCZ-LPYMAVHISA-N	517.969	6.500	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409126592	CXJKNNRCIDLDCB-MUFRIFMGSA-N	522.026	5.161	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(I)c1OCc1cccc2ccccc12	409131101	LVVWEDOJKXYIKF-XMMPIXPASA-N	578.410	5.672	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Br)c(C)c3)c(OCC)c2)cc1	409167333	IDFNOZMVLRJNRG-ATZGPIRCSA-N	751.416	6.046	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)cc1	409180533	ZBRSNUQXBVTJTA-ISOQAIGPSA-N	600.631	5.350	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409222023	BCJCFZJSIOWCLX-ZRGSRPPYSA-N	565.193	5.531	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccc(I)cc1	409234019	XTGFIVIUDPZDAW-KKMKTNMSSA-N	655.356	5.681	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409245034	MKJWWZKXMBQJTO-YVLHZVERSA-N	566.292	6.574	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409245527	VGHNROAITDGMGS-NVJOKUIPSA-N	587.216	6.018	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	409256479	LOZIXSSTVHDPKT-VHFSBPNMSA-N	727.983	7.021	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409261303	CPRJNSJJTUHWGF-ODLFYWEKSA-N	568.855	6.291	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1OCC	409305609	WEESEWDZHKUWPB-NTFVMDSBSA-N	540.414	5.028	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OC	409309602	JPKISXZATPBOKM-UHBFCERESA-N	582.451	5.121	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OCC	409311487	ZYUYDNOXYWOROY-UHBFCERESA-N	575.887	6.642	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409311694	HHWNCQXYFZOVOX-ACXHZZMFSA-N	561.513	6.366	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409361223	BCXOKARGURDMJF-PPDIBHTLSA-N	534.769	5.032	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409363741	MYGFBZGGSJJUQT-QDTIIGTASA-N	548.796	5.422	50	40	KKGB	
CCOc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)c1O	409370611	BWESGKNGCZACHT-QDTIIGTASA-N	615.333	5.201	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc3ccccc23)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409370931	FBRXYBIOCPCDSS-ZMGVVAQMSA-N	568.526	6.413	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409374065	XUQRJSPKJJIOJX-MXAYSNPKSA-N	547.203	5.392	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(Cl)cc1	409390013	DDPCFAUYKSWLMO-GRSHGNNSSA-N	533.768	7.126	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409393182	VDXXSYWWVFADBL-ZDLGFXPLSA-N	549.381	6.284	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409398106	QORYXCLUHRESQE-UHFFFAOYSA-N	659.436	6.160	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409398550	UITJKDOWOBMBOI-UHFFFAOYSA-N	507.546	6.118	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3ccc(Br)cc3Br)o2)cc1	409403109	LWVBFHKJNOKXQZ-FDUMAKPYSA-N	790.734	9.550	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409405350	SYCDQWPTUYJHFR-AELQKBHRSA-N	628.907	6.386	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)o2)cc1	409406007	VRKZCXYXRZLJCW-QMRORBIVSA-N	633.488	7.824	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OC(C)=O	409406036	VUJLKKSULNBKES-ACXHZZMFSA-N	550.011	6.007	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409406574	XDURUBRAFMIYQL-FFKGLWRNSA-N	672.609	9.043	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	1529548195	YUNABGRWHUBUSD-VUSQDURTSA-N	879.342	6.667	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc(Cl)cc1Cl	1529549432	YWWDVOYXVILDBT-CKMXFPERSA-N	879.342	6.667	50	40	KKGB	
CC(C)(C)c1cc(-c2ccccc2[C@@H](CP(c2ccccc2)c2ccccc2)N[S@](=O)C(C)(C)C)cc(C(C)(C)C)c1	1857795084	LBEHDJAAPPRKMG-KKMSLZIYSA-N	597.849	9.174	50	40	KKGB	
CC(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1	1783015	GNISHTIRRSTLET-BXVZCJGGSA-N	520.427	5.061	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cccc(Cn3nc(C)c(Cl)c3C)c2)cc1COc1ccc([N+](=O)[O-])cc1	2266924	SFEAABSMRRETOO-FJEPWZHXSA-N	547.999	5.461	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	2670114	QKBOUVKYEADAMY-OQLLNIDSSA-N	505.810	7.098	50	40	KKGB	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	3236931	ACPLARQGNNTOOO-RUMWWMSVSA-N	500.606	5.760	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1	6055838	GBLUAQCVHLMSAO-ZDLGFXPLSA-N	514.796	6.730	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)cc2Cl)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12	8837802	POYZWDJCRCUSRH-FYYLOGMGSA-N	504.377	5.056	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/C(C)=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1	9019219	UKEBKVDCILBSNL-XFJOGQQNSA-N	518.042	5.894	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)n2C2CCCCC2)cc1	13662121	AFNBJXILNRQJDZ-WKULSOCRSA-N	501.578	6.020	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C	39037251	HQCIIKWOMRRRPN-RGRSVEPJSA-N	521.624	8.723	50	40	KKGB	
CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\NC(=O)COc3cccc4ccccc34)c3ccccc32)cc1	46084860	NHMTZJCSKBYNOL-BVNFUTIRSA-N	521.617	5.462	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](Cl)I	95707862	BOSZYGJIYJRLRJ-UWTATZPHSA-N	508.443	6.115	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	97968770	RADDBQUUHZDEPW-XSYXJYRBSA-N	641.522	5.664	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1)c1ccc(Br)cc1	97972259	ANLNMVPLZOXSEN-HVMFUDPSSA-N	597.970	6.625	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	97981212	IPFWSIXSHYWBAB-XBQJKBNESA-N	699.226	5.045	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F	98000216	DSVYFLQSHXBHHU-DEOSSOPVSA-N	562.013	6.464	50	40	KKGB	
Cc1sc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1Cn1cnc2ccccc21	98008226	CRPJXFGUDXCTLE-MHZLTWQESA-N	536.617	5.668	50	40	KKGB	
COc1cc([C@@H]2CC(=O)N3CN(c4cc(Cl)cc(Cl)c4)CSC3=C2C#N)ccc1OCc1ccccc1	98048429	XSOWPIBSXQBRFZ-QHCPKHFHSA-N	552.483	6.800	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1cccc(Cl)c1	100120474	PGIVTJLRXSTYNY-KEIPNQJHSA-N	540.111	5.829	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	100123552	RZFJIJYHCYSKMG-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	100124527	JLLXHKUDBGMUJJ-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
O=C1OC(=O)[C@H]2[C@H]1[C@@]1(c3ccc(Cl)cc3)C(=O)[C@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1	100179846	WNUANDQWZMRUQR-CUTKCQJKSA-N	551.425	6.692	50	40	KKGB	
CC/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccc(O)cc1	100840576	VMLLGYJYUWHJGS-SLMZUGIISA-N	526.449	5.969	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Br)cc1	100990600	YCTCGJYSZZBGEE-GFPZRUSRSA-N	563.433	5.100	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccccc1Cl	101305174	SRKSUMSACOJZKM-HHHXNRCGSA-N	558.103	6.725	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	102935008	UHZHSBANULYBED-CXUHLZMHSA-N	547.192	6.789	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(SC(F)F)cc1)[C@H]2Br	103112708	MVGNVPKHTRSMIC-GOPGUHFVSA-N	562.112	6.626	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccccc2Cl)cc1	103895447	KLLRIWVKQIHYPQ-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](Br)C(=O)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C	118923346	QPEUNNHJRQSZCH-ARQJRHHXSA-N	544.456	8.424	50	40	KKGB	
FC(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341872	PHSIFSLVCPMITB-UWTATZPHSA-N	892.044	10.928	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	162450586	ATGVPSVOXGQTKQ-QNVXDBMFSA-N	681.962	7.183	50	40	KKGB	
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	169745834	AOXWVTIMEGOVNF-PKGPUZNISA-N	763.964	7.170	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)cc2OCC)ccc1OCc1ccccc1	408540488	SKWVDANJMLZNBW-UUKRNIFRSA-N	739.663	8.756	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(C(=O)OCC)c1C	408546395	IRXIRFMIUOMARA-DJKKODMXSA-N	695.415	7.786	50	40	KKGB	
Cc1nc(-c2ccc(C(=O)N/N=C\c3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)cc2)cs1	408551221	JMKZILQKVSDANS-DBFSUHOCSA-N	539.444	6.207	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccccc1Cl	408598938	LPCFESSYEWLYQS-OKCVXOCRSA-N	590.889	6.984	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)c1	408636822	CUBHZTFPXPQVDS-WXVAWEFUSA-N	568.497	7.341	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Cl)cc1Cl	408649543	LEJRHCDAFLOKGT-YUEHCAIXSA-N	663.577	5.665	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21	408651580	NNHORCPRWUESGJ-MBKCZMESSA-N	533.839	5.428	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(N2CCCC2)cc1	408676118	FOTYIFSECQEKCY-LQKURTRISA-N	559.835	5.888	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1	408676923	ANRJGYWZRJFSMA-YMZMPRNQSA-N	614.707	5.177	50	40	KKGB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408683508	LLQKUXYSVKDPPP-TVFCKZIOSA-N	662.118	5.064	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c1	408710593	OMJKAIXHOHAMDY-KKMKTNMSSA-N	676.676	5.909	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OCC)c2)cc1	408711751	ITZIDZSEBUCXJV-MUFRIFMGSA-N	637.312	6.123	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br	408734532	HMHSQMVDDVRYNP-VGOFMYFVSA-N	510.613	6.284	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408745598	TZOATIQEPWRVLY-RIYZIHGNSA-N	665.194	6.217	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)ccc1I	408747784	SXEJLRFSOARFMI-RPPGKUMJSA-N	644.101	6.168	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408748321	BVBAQRBBCWMWKJ-VULFUBBASA-N	643.297	5.292	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408775668	JUUOMGJWNDEVNL-BIZUNTBRSA-N	592.073	5.222	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408788667	LZFMPGWHMHTZEH-WOJGMQOQSA-N	512.349	6.425	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c1	408790558	WXTNPIMMQIOFEN-DJKKODMXSA-N	558.245	7.092	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408797775	TXTDDISPRPWAPJ-FRKPEAEDSA-N	522.215	7.433	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408801331	VGKULYPRKNEKHE-BUVRLJJBSA-N	555.472	7.743	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCc1ccc2c(c1)OCO2	408811767	WHXSHOAIGMKTTR-VXLYETTFSA-N	506.942	5.601	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408817051	MRSMJFAUVFMABY-UUYOSTAYSA-N	568.411	5.419	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1	408827339	JDYXWXYTSNMVNW-HNSNBQBZSA-N	510.037	6.241	50	40	KKGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408843444	MSRPKSLXJLDRQR-WKULSOCRSA-N	530.606	5.186	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2ccc(C(C)C)cc2)cc1	408845661	YQILCVXSZOEPCS-OKCVXOCRSA-N	517.573	5.483	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1Cl	408851099	IGCLEPUEMHDXPX-DBFSUHOCSA-N	653.698	7.195	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccccc1C#N	408860315	YRGCCYWMEMQOJB-HIWRWHBISA-N	612.495	6.047	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1	408860500	WZNUYLYVSJRYEX-KIBLKLHPSA-N	572.268	5.525	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408863784	QWZQXGVNAHQNSZ-KCSSXMTESA-N	639.572	5.528	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1Cc1cc(C)cc(C)c1	408874035	XUEOHYYFINDJDH-JVWAILMASA-N	581.510	7.790	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408876904	QYIZTXUSNXIQPY-XJECJHNESA-N	721.457	7.006	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1c(Cl)cccc1Cl	408879523	GRKKWRZQSRMHBR-RVDMUPIBSA-N	552.233	6.069	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1cccc2ccccc12	408882186	QGSILJVBDQNIJZ-XMHGGMMESA-N	517.368	6.920	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408889505	DGZPDHRMWBMRBP-NTEUORMPSA-N	543.717	6.257	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OC(=O)c1ccccc1	408891011	JXATVPOWWHVIID-GZTJUZNOSA-N	558.759	5.718	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OC(=O)c1ccc(OC)cc1	408896041	MOLDVSREGRPVIB-LICLKQGHSA-N	556.358	6.074	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408903947	BNUWTTLRYVZVFZ-PPDIBHTLSA-N	537.241	6.808	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2ccc(Br)cc2)cc1	408923795	KFEFZRDDGKPDKB-RCCKNPSSSA-N	535.394	5.759	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1cccc(Cl)c1	408940314	CCOVNCNHNAVCOX-MHZLTWQESA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c(OC)c1	408951919	JHCYXVKHZQHZNX-HVJLQFNCSA-N	821.419	5.060	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408968879	CJFSZNCFEZVJKE-GRUJEIAESA-N	651.385	6.198	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	408971260	FCPAOTJHTPIQBG-GGWHKVJKSA-N	630.525	5.758	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(Br)cc1OCc1ccccc1C#N	408976692	BVIQPCQMEXTDKW-MLCSCPQYSA-N	637.531	5.469	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccccc1C#N	408981608	BYHACDFRMVEJID-FBHDLOMBSA-N	550.840	6.806	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408983363	LOXVSJNGLUBBNN-NVMNQCDNSA-N	512.349	6.343	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2cccc(C)c2)cc1	409006430	NUPJDQIRZYCFSO-JMAFXUJISA-N	561.594	5.555	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)c(Cl)nc2c1	409027689	GHEFPDQALDEXJO-IPPBACCNSA-N	577.877	5.549	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409032269	BZNVPABGFJMIHN-QMRORBIVSA-N	682.345	8.165	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2I)cc1	409032406	IXIRRYRZJJKLNB-HQDYHJHZSA-N	723.352	7.762	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)cc1	409041163	ITWVGPNXMNBRRP-WOJGMQOQSA-N	590.699	7.388	50	40	KKGB	
C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409138452	CACWDGNHQVXGDL-WKULSOCRSA-N	520.869	6.673	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2)cc1	409144335	OOYUXQXTLZZIOW-UXHLAJHPSA-N	535.069	5.645	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc(I)cc1	409191743	MCJIQLPHBVVQEJ-WQRHYEAKSA-N	642.275	5.839	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409222544	DZSVTWINNOJMPM-BVMLUPFRSA-N	586.944	5.212	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1OCc1ccccc1Cl	409241042	WQLNUBIXRYRSMN-UGHLTKRUSA-N	501.026	6.831	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409270279	OQCJNZSTHITKEV-UDWIEESQSA-N	523.511	5.894	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OCC	409300712	AIFXMRNFRGNHAL-LJUMEUDFSA-N	632.349	6.917	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	409311959	IFTZCDALFOFOHD-MNDYBZJGSA-N	588.886	5.990	50	40	KKGB	
CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	409325462	YRRCKHDFGQZIIX-YKQZZPSBSA-N	511.018	6.269	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)ccc1OCc1ccccc1	409332074	FWGHWUUUIUPQEI-MZFJOGFUSA-N	515.009	6.661	50	40	KKGB	
CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	409334976	NOXFLIVOJQDARY-NTFVMDSBSA-N	527.415	5.598	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Br)c1OCc1ccccc1Cl	409366870	ZSUVTGPOXRSJDX-FDVSRXAVSA-N	559.844	5.544	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OC)c1OCc1ccc(Br)cc1	409372660	GAZWLSBJHZBQNC-KCSSXMTESA-N	559.460	6.691	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409397307	IMGCLVQXGTYKKN-UHFFFAOYSA-N	566.455	7.197	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397383	JGCLAODURZQLBK-UHFFFAOYSA-N	575.518	6.985	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cc(C)cc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409398891	WFMOCZRIBQLNAL-UHFFFAOYSA-N	640.092	7.031	50	40	KKGB	
CC[C@@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409402292	JQNPGIDCOZTLFL-LCYCTPALSA-N	673.402	7.741	50	40	KKGB	
CC[C@H](C)n1c(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409404593	QIPQPLNBLXQUTK-CMQZZDMGSA-N	522.649	7.264	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4ccccc4C#N)c3)o2)cc1	409405667	ULGKJXRJHBDVOT-OJYCWLPVSA-N	544.611	6.481	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccccc3C#N)o2)cc1	409405897	VFURNQRIBAYVTJ-OJYCWLPVSA-N	544.611	6.481	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(Br)cc1Br	409406496	WXPVCTMDBUINMY-FRKGHFGRSA-N	755.891	9.186	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1	1529545661	ACRHRZIRHJUGBM-GQQDTJLESA-N	652.560	5.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1	1529548993	RQKRPQFSVAOHRI-QNDPHOHFSA-N	757.576	5.342	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(C)o1	1300406	FBONNFNLRAJRIA-HHHXNRCGSA-N	563.079	6.265	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(Br)c(Br)c1O	3140455	BLHKRPHIVVLMHG-QPJQQBGISA-N	541.023	5.152	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1	8454659	WDGPOCYCIRYZMQ-DPNNOFEESA-N	508.965	6.555	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccccc1OCc1cccc2ccccc12	16526327	LEEZJNHFPUNGHA-QXUDOOCXSA-N	511.581	6.037	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1	98001675	IDVYUQGPSYEVIG-ORBVJSQLSA-N	724.425	7.138	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100122648	CPVQXUDDEAMWBW-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)C1	100867848	HXHZSCWMALNHDO-HTKFZDJESA-N	540.178	6.099	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H]([C@@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)c1	101052258	BDXBQJJDNYPETK-RFOVXIPZSA-N	547.287	6.193	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	101062421	KNLOCORNTCJCHA-WOHXKIKESA-N	519.736	7.793	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1	101161657	SZYHYHXZJFIESH-UDXHRHDRSA-N	546.838	6.851	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	102933088	GXANGNNXNFHXAW-GZTJUZNOSA-N	526.332	6.065	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(C(=O)OCC)c1C	107587031	PTCZLKSHZRJIMK-RGVLZGJSSA-N	616.519	7.023	50	40	KKGB	
CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341308	IRKMPRQCIYRONS-ZETCQYMHSA-N	994.196	13.217	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408526173	AUDJACMTCFXWRV-ROPCREHHSA-N	556.382	6.762	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	408534092	UTZKSYCAYHWVBO-NSKAYECMSA-N	511.254	5.198	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3)c2C)c(C(=O)OCC)c1C	408546437	JJVOFIXCDLJYIH-KGENOOAVSA-N	504.608	5.536	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552149	HQQWZBLRRHOVSU-YVLHZVERSA-N	514.796	6.518	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408553971	XVKOMHZOAQOXIE-PXNMLYILSA-N	682.152	6.868	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408567968	RBOHRJPHGKCLSU-PXNMLYILSA-N	621.191	6.554	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1cccc2ccccc12	408568175	IGJSXBAQKZMYJM-MTJSOVHGSA-N	589.408	7.502	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408580725	RINRDUHFRBYMBZ-CXUHLZMHSA-N	591.745	7.016	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408580947	SNXIFJCQZKIGSI-VXLYETTFSA-N	604.726	7.654	50	40	KKGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl	408603266	GBIMDZYSNPLSLP-IPPBACCNSA-N	549.252	5.144	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	408609453	JTHOQFMKWIXDGS-XODNFHPESA-N	504.801	5.877	50	40	KKGB	
O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1CC(=O)N(c1ccccc1)c1ccc2ccccc2c1	408669376	GRBUWNSELMFTJL-ZCQNZVIGSA-N	570.281	5.427	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)Nc1ccccc1	408744764	ZXRHAZNZCDCXKL-LHLOQNFPSA-N	510.553	7.265	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)ccc1I	408747941	VYNGJQRKNJGRMJ-LGJNPRDNSA-N	550.780	5.305	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(Cl)cc1Cl	408761242	DGHQNTZSHLRMIK-BHGWPJFGSA-N	573.208	5.196	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1	408761661	KNKLNYPZJZAIEB-GDNBJRDFSA-N	607.236	5.433	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cccc(I)c1	408764334	TUIBTUWNQJKJTO-IPPBACCNSA-N	664.135	7.312	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)c2ccc(C)c(Cl)c2)cc1	408766804	GSKZRFDQTDEBBC-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)cc1	408773786	SNHXRZYSXMUTHG-JCMHNJIXSA-N	537.532	6.557	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408787396	ZIRPGIXGMXLAHL-DASYQMAQSA-N	540.715	6.770	50	40	KKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408808740	NCPICLZHWPHCHA-MBTVCVBTSA-N	636.271	6.450	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408816899	USJKSXFBKJBLRY-KMUKQRDJSA-N	643.925	8.120	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(C)c(Cl)c2)cc1	408831455	VSGIGEHCUULHRH-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408836499	RWHHXVIEVWVARG-BUVRLJJBSA-N	707.375	8.222	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccccc1F	408839156	NXVFMEKULYQWES-XJECJHNESA-N	645.554	8.115	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)cc3)cs2)cc1	408842097	IPSINNSSHQCHEW-OKCVXOCRSA-N	537.601	7.103	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(Cl)cc2Cl)c(C)c1	408850249	JLUKPWCEVCQORO-RGVLZGJSSA-N	544.276	7.806	50	40	KKGB	
CCOc1ccc(NC(=O)N/N=C/c2cc(OCC)c(OCc3ccc(Br)cc3)cc2Br)cc1	408856400	IFGRGGUTDBPVNJ-RWPZCVJISA-N	591.300	6.744	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408861535	CUKJDIIYHLJAPN-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(Cc2ccccc2Br)ccc2ccccc12	408866334	GUBPBPSGNJEBQU-PXLXIMEGSA-N	515.838	7.701	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1Cc1cc(C)cc(C)c1	408867982	MSRMGEGBVFMUHW-SSDVNMTOSA-N	537.885	7.563	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Br)C(=O)Nc1ccc(Br)cc1	408873131	NLTFXIPWEDYODB-LDADJPATSA-N	575.098	7.111	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1	408879482	GKJNUGNHXXMROT-QGOAFFKASA-N	590.293	6.142	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccc(F)cc1	408885912	GQXTVULYYZWKOK-GIJQJNRQSA-N	540.345	5.938	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1I	408889287	BLOALZZBOQYLQQ-WUXMJOGZSA-N	670.026	5.445	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	408890727	YFQQYNIANHXOKT-HMMYKYKNSA-N	502.979	6.115	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(Br)c1	408890914	IISKZYFUQDYHDK-GZTJUZNOSA-N	585.208	6.193	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1	408891475	RCWAHYXBKCULKN-XDHOZWIPSA-N	559.427	5.792	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OCc1ccc(Br)cc1	408892235	ABGRKBBRSXEMAC-XDHOZWIPSA-N	511.803	6.544	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2OC)cc1	408893648	HJBRSAJSFDYJFE-XDHOZWIPSA-N	521.367	5.540	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OCC	408894838	JFTHQDLEXTYISF-OQLLNIDSSA-N	510.759	5.596	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	408899147	NOUZBYXROLSRSF-DEDYPNTBSA-N	556.372	6.584	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(Cl)cc2)cc1	408907474	OZBFRSBRNYJCAQ-XICOUIIWSA-N	614.123	6.426	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1	408939758	BKSPWDLRJLRXSH-NDEPHWFRSA-N	760.461	5.404	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(Cl)c2)c(OC)c1	408942107	FSJZKXGEZMBJOZ-MUUNZHRXSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(F)c2)c(OCC)c1	408943694	IBWNYMKGUUCKAM-GDLZYMKVSA-N	746.599	5.293	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC)c1OCc1cccc2ccccc12	408947513	NUDCUZLRPCGFIN-JGCGQSQUSA-N	638.746	5.312	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCCOc1cc(C)ccc1C(C)C	408972846	WEKLIUNWVGBQPK-UXHLAJHPSA-N	539.470	6.501	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1	408995827	FBNXVFVRJZJABK-KPGMTVGESA-N	611.279	6.991	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408996383	HZHLXENKKZJERR-ATZGPIRCSA-N	621.433	6.536	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1ccccc1Cl	409021422	GOADFMIFZJTFOF-BVMLUPFRSA-N	568.855	6.158	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	409022669	OSILDEFGMKZTLL-MUXKCCDJSA-N	535.354	5.014	50	40	KKGB	
CC[C@H](C)n1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c2cccc(C)c21	409030697	FGVNBJZLAUJFJJ-CMQZZDMGSA-N	504.634	7.217	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1cc(-c2ccccc2)nc2ccccc12	409042885	LFIWFFGDYMMRQO-FADJLKOXSA-N	507.593	7.398	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1nc2ccccc2o1	409048582	SHDWPEQQTJJPCN-CXUHLZMHSA-N	528.175	7.135	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)cc1	409057595	QDAMEKZGKYOGAM-YBFXNURJSA-N	501.391	5.293	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2ccc(I)cc2)c1	409067878	ZYYPPRSNYDGYBU-LFVJCYFKSA-N	579.482	6.879	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1	409083995	WEJOSQPWEAPXKD-OVCLIPMQSA-N	536.293	7.567	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	409112992	HOEYTTDKRVHKBK-FABQOPTDSA-N	626.562	6.543	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409129538	GKULBGOIIGCCDD-RUZDIDTESA-N	537.016	5.210	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1	409167524	IKWGDGGTRBRNPH-YRJKAGBCSA-N	653.883	6.029	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3)c(OCC)c2)cc1	409169104	PTIRMEHEKOEWHC-VTNSRFBWSA-N	645.938	5.786	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1OCC	409227250	YKRUOXRCHJTGKB-CAQPMQTCSA-N	566.054	6.105	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409240631	QTNJBEHMEKBWAI-NVJOKUIPSA-N	587.216	6.018	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccccc1	409244401	BZGZGBJEFGTUIJ-VYZAVGSRSA-N	505.368	5.511	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1Br	409247470	CKABAMHOHMRBBO-ZMFRSBBQSA-N	545.231	5.301	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	409258425	XALMYMJDEMJXNM-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409360282	DMIIPSOOTJSNDC-VYVUJPJFSA-N	620.556	7.313	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	409364287	OTRZDAPBYLTATM-MUXKCCDJSA-N	658.705	6.383	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(Br)cc1	409364727	OXDHPWMVBGYZES-FDVSRXAVSA-N	606.311	5.899	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(Br)c1	409369786	XPPCCAFRAVFHAH-PPDIBHTLSA-N	634.177	5.860	50	40	KKGB	
COc1cc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1	409371060	FROROGODJJZGJP-KMUKQRDJSA-N	620.171	6.194	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccccc2Cl)c(I)c1	409372585	MCWDTFBRUOQHHU-MXAYSNPKSA-N	549.752	5.125	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409394050	UXSLQCKXXPGCBF-NVMNQCDNSA-N	521.213	7.937	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(OC)c3)[nH]c12	409394798	FZOBWEYWCLLCCI-UHFFFAOYSA-N	596.481	7.152	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)cc1	409394834	GMMNFOHIPCJOKG-UHFFFAOYSA-N	707.375	7.369	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)c1	409394909	HGHNMHBZARWBPO-UHFFFAOYSA-N	677.349	7.360	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395750	RGKTVYGSRKZUQM-UHFFFAOYSA-N	809.092	9.141	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409397085	FZZXZTGONKMKEV-UHFFFAOYSA-N	600.900	7.851	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl	409397721	NESREDUSSUPMAH-UHFFFAOYSA-N	627.311	8.440	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(N(C)C)cc4c3-c3ccccc3Cl)cc2OC)c1	409398588	USDJAOSZPASKCH-UHFFFAOYSA-N	597.071	6.555	50	40	KKGB	
CC[C@H](C)Oc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409400163	BTZRBFKDSKHVJD-OFSKBFHASA-N	594.506	6.978	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409407252	ZESOVGUYNIZCQM-AEVGBRMKSA-N	648.543	7.933	50	40	KKGB	
C=C1/C(=C/C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C[C@@H]2CCC(=O)C2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	604938965	VUNSKLXNHPLZTO-GDXLPTBZSA-N	641.142	11.582	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	1529548150	YDIVWEKJYWIJRX-HBPAGYSFSA-N	716.998	5.475	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)ccc1OCc1cccc(Cl)c1	1529548623	KBPNMRCADXADLN-QNDPHOHFSA-N	672.001	5.567	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1	659895	YXSSHVKLVATSEV-ACSYHNTCSA-N	536.588	5.619	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1	1790661	QZFNRQYYTCSLSI-YMGIJWJESA-N	508.430	6.367	50	40	KKGB	
O=C(CSCc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	3049699	UDDGXBDYXPYNNR-FOKLQQMPSA-N	508.235	5.855	50	40	KKGB	
Cc1c(NP(=O)(c2cccc3ccccc23)c2cccc3ccccc23)c(=O)n(-c2ccccc2)n1C	3204219	PLIXPOQXHLKBFY-UHFFFAOYSA-N	503.542	6.132	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	13583070	XFCCCPKULGHDBF-FDVSRXAVSA-N	517.869	6.677	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@@H]1c1ccco1	20136762	KINUXZHKDLNEGR-RUZDIDTESA-N	513.619	5.610	50	40	KKGB	
CCOC(=O)CSc1nc(-c2ccccc2)nc(O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	96022919	HCTKXAUGRLYMMO-UHFFFAOYSA-O	551.628	5.124	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1Br	98001305	MFTBNKQPPKYORC-SANMLTNESA-N	633.593	6.740	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(O)c(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N2)c([N+](=O)[O-])c1	98048766	BCHRPWDNUQTHLI-NDEPHWFRSA-N	601.641	5.024	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl	100232839	ZREUZWRSROLGOL-NDENLUEZSA-N	525.830	6.934	50	40	KKGB	
COc1c(Br)c([C@@H]2ON=C(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)[C@@H]2C)c(Br)c2c1OCO2	100237718	VAGIKPSHXOMLKQ-IYIPSEOISA-N	595.288	5.460	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1	100880467	KDXNUMNPCGRPFX-RHANQZHGSA-N	540.476	6.272	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1	100935139	WPBUBAQYARVCRT-GXMWNFHKSA-N	546.026	5.615	50	40	KKGB	
O=c1[nH]c(SC[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@@H](Cl)c2ccccc2)nc2sc3c(c12)CCCC3	101096282	MQJHBAZFFKXSAD-UNMCSNQZSA-N	544.123	7.005	50	40	KKGB	
N#C/C(=C/c1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1	102930707	FILSLRYBXCLPMP-VBKFSLOCSA-N	516.804	5.449	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	103883183	ZDOVZBDMJNACLK-ONUIUJJFSA-N	542.466	6.981	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1	105586104	LHWVGUHEDPTEMA-JWHWKPFMSA-N	575.690	6.947	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c(C(=O)OCC)c1C	106431092	XVGMZYSZBJYKLX-FYJGNVAPSA-N	589.739	6.348	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCc1cccc2ccccc12	107806898	ITWLHDSYHLRSFU-QXUDOOCXSA-N	614.483	7.268	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)N(CCCl)CCCl)[C@@]4(C)CC[C@@H]32)C1	118928847	GUCZUMLMUMDVHF-UUSHAESRSA-N	512.562	6.439	50	40	KKGB	
CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341464	PNCJBGRYDYMBRE-LLVKDONJSA-N	650.248	9.695	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	150367657	WKQQMVDVDYCIOX-GXBUFBABSA-N	639.561	5.395	50	40	KKGB	
COc1ccc2nccc(C(=O)CC[C@H]3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)C[C@@H]3[C@H](CBr)CCBr)c2c1	150378854	UQWTXUVZLPAUIV-ZVOVDXHFSA-N	661.391	6.689	50	40	KKGB	
CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC)(OCC)OCC	200546151	RAKWPDFAVDYUOM-UHFFFAOYSA-N	682.688	7.675	50	40	KKGB	
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2CI	253505423	VJCWEUYDXCVIJK-QAMSCVPESA-N	500.505	6.992	50	40	KKGB	biogenic,in-vitro
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccccc1	408540884	WTHJQXAWHHKNHO-GKVNEZTPSA-N	579.096	7.743	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1	408541937	FXTYYVSCACHFCO-RGVLZGJSSA-N	536.857	7.638	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c3ccccc3cc3ccccc23)c(C(=O)OCC)c1C	408546677	MKAHTAVXWDVAGD-RCCKNPSSSA-N	511.599	6.435	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552761	VCMMWVOFZZDSDO-RQZCQDPDSA-N	542.875	7.583	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccccc4OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)cs2)cc1	408552890	LLCMKGACAVIGBD-QMRORBIVSA-N	630.557	7.950	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408569275	MQVVKCNKLCBSSC-CHHVJCJISA-N	564.185	7.257	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408583388	UFOKDFXQWLQQIU-CIAFOILYSA-N	511.359	6.260	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408653011	PLOSNLVHJFUXJL-QVWZKCLOSA-N	566.268	5.692	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408663314	YJCZULLNZDOHBI-JCKQNYJESA-N	783.684	6.884	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1ccc(N2CCCC2)cc1	408676140	GAJZESYXZZKWJS-KCSSXMTESA-N	518.444	7.090	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408711757	JCTSBTZJBKSDSD-FJEPWZHXSA-N	535.855	6.716	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	408717975	GGGKGXZUTBRZRR-OPEKNORGSA-N	537.153	5.647	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccncc1	408722531	JSQCNZWYHNYLDP-OPEKNORGSA-N	617.612	5.287	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1	408740969	FVRMGBSUMGUCFB-PXNMLYILSA-N	581.091	7.643	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745998	QAFSYDRMBXQLAD-SXGWCWSVSA-N	581.091	7.643	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](C)SCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751410	NYLAWSGEIUOKMR-JBMXKJHBSA-N	511.691	6.684	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	408751670	BIDIMFJIPPJJDV-DEDYPNTBSA-N	552.255	8.034	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(I)cc1	408754264	FXEYRTNWMZJOIL-LGMDPLHJSA-N	520.330	5.292	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCC	408761183	CENZRUWWRHPPQP-QPEQYQDCSA-N	531.177	5.941	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408792645	BQJUFEIITBDVJH-KEBDBYFISA-N	529.851	7.787	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccccc1Cl	408831726	ZZPZZKPEPSMHNM-WQRHYEAKSA-N	529.793	6.765	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OC(C)C	408835836	ZLEODZHMXCYDOG-VIZOYTHASA-N	570.811	5.693	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)c1	408837241	ATKFKKKLBVQFGS-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Br)cc5)cc4)cc3)cs2)cc1	408838981	LFRACTTUNOAUOO-DPNNOFEESA-N	597.538	7.968	50	40	KKGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408840290	AHBHQRILTGBBLJ-RPPGKUMJSA-N	557.813	6.242	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(C)cc1	408840491	BPANEZSCXMXIDA-ODNPBWNPSA-N	626.134	7.806	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1ccccc1	408841863	IEWZHZGNVPLQGT-XPBWWIILSA-N	533.584	5.720	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)c2C)sc2c1CCCC2	408843629	MMMCQEJIDOZKRK-ODNPBWNPSA-N	637.831	8.151	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1OC	408847216	UFIUMQKZCYHBNN-XODNFHPESA-N	528.417	6.242	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	408851561	CWVXDMJVCCXZSQ-VULFUBBASA-N	547.247	6.345	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2cccc(C)c2)cc1	408867855	KJAOOTVWDKOBKC-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3F)c(OCC)c2)cc1	408872932	LNAOLJXGLXHTCD-FYJGNVAPSA-N	551.412	6.300	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408880345	ILRDGGPSUYSDHK-FMFFXOCNSA-N	555.700	5.845	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1Cc1ccccc1Br	408881098	MAAFVEKQDVZCDC-XDHOZWIPSA-N	570.281	6.755	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1cccc2ccccc12	408883628	VTIUARVPHLTOON-LFVJCYFKSA-N	507.546	6.580	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1cccc(F)c1	408904856	PNTNSJYJMKJKDK-QDTIIGTASA-N	511.893	5.875	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(OC)c1	408922508	FMFSUNBSGQODPU-ZKGNDETKSA-N	650.519	5.335	50	40	KKGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	408934291	BURQXBPQHDDJAL-KCSSXMTESA-N	566.054	5.399	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(I)cc1	408951035	KSWRTKSHMGTRSG-HMAPJEAMSA-N	577.422	5.626	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	408969147	IBVOXQABYDIPAB-YXVQLENNSA-N	518.828	5.292	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408969473	OCTNIYMTIGTTQW-XJUVKUJYSA-N	585.326	5.769	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408971783	LBXLOWKWHKOKGI-VXEUHFJNSA-N	554.474	5.607	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408973238	XRVGPPPOPVXNDJ-VKZMAOFBSA-N	522.045	5.287	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCc1ccccc1	408973605	ZKHZRCQZTJBDEU-VFLNYLIXSA-N	505.880	5.035	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1Cl	408978293	HVLRJIJONPOPCT-MCJRRVPSSA-N	556.062	6.329	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1Cl	408981338	AUPODDCIAXVMKE-IUXPMGMMSA-N	595.118	7.952	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408981700	COFHRSGHOBDVHQ-MFOYZWKCSA-N	516.768	6.988	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccccc1C#N	408984069	PPDGPDKEIITXAT-SRZZPIQSSA-N	550.840	6.806	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC(=O)OCC	408989070	JRMORLSYQZYODB-ZDLGFXPLSA-N	517.807	5.627	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020513	QBYWTZLMKIMKKW-LALXJTNGSA-N	618.734	6.258	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409058613	TZXHXNMSYPNRHU-HNSNBQBZSA-N	592.117	5.577	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409066052	LLWNNXXYCUAGKO-OQLLNIDSSA-N	541.334	6.326	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409067378	CSRFYAKVVWAFEQ-RGVLZGJSSA-N	561.387	7.874	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409084817	YAXKUWQCXBXNQW-MHWRWJLKSA-N	523.299	5.912	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl	409123644	HYEWNUPTKZXPCK-QNVXDBMFSA-N	722.003	6.805	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409158871	PJTPPQKOZFODSN-WXMAUWIXSA-N	710.139	6.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1cccc2ccccc12	409212970	RVQAEBIZMHIAAN-WCMJOSRZSA-N	630.935	7.318	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccco2)cc1	409227314	UYWDWMPBPASKNT-MBTHVWNTSA-N	532.896	5.077	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2Cl)cc1	409227425	ZXQMZZVFFXJLET-MNBJERMJSA-N	556.962	5.413	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409250414	LICPAUHIQFPPAC-IUXPMGMMSA-N	589.273	6.636	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409255203	HJJMKJUYJXOGAS-QMRORBIVSA-N	738.007	7.602	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1	409260459	QNXCKCYCSLKOEO-QMRORBIVSA-N	719.459	8.169	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OCC	409321333	FZOBWXVWWWRLED-FZPRHHONSA-N	644.950	6.555	50	40	KKGB	
Cc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1	409326385	JZGMJHNZQNXHAL-QGZVFWFLSA-N	504.837	5.430	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409368237	QAKUUMCSERHFDE-ZDLGFXPLSA-N	580.647	7.359	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409374326	MMYGQVPHLNZUCE-ODLFYWEKSA-N	580.382	6.426	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1OCc1cccc2ccccc12	409384379	BXVLOZYLSMBION-HNSNBQBZSA-N	565.651	7.433	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(Br)cc1	409394331	YZHOMYXLSDJBMS-NVMNQCDNSA-N	517.192	7.002	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)[nH]c12	409394721	FBURHWOITWKWFL-UHFFFAOYSA-N	612.480	6.906	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409395088	JSMULRFIQUSWAY-UHFFFAOYSA-N	696.193	8.106	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)c1	409395656	QIQVKKPIPBGQMV-UHFFFAOYSA-N	681.384	8.805	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccco1	409395790	RUOYAYYFLCLHMW-UHFFFAOYSA-N	631.697	8.134	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)cc1	409395956	ULGHNUKDDDCHPP-UHFFFAOYSA-N	541.966	6.619	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(F)cc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396589	YCAGPUYAKDWHFI-UHFFFAOYSA-N	644.099	7.807	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397220	HMPSGBBTIDDANF-UHFFFAOYSA-N	582.012	6.517	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398745	VMMSLGBAMYKLEI-UHFFFAOYSA-N	624.883	8.316	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccccc1	409402235	JHUUBPSYTCPIAF-QJOVZPHJSA-N	642.550	7.770	50	40	KKGB	
CCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	409408235	JNFLQLMIDQCCPN-DXJNIWACSA-N	528.678	7.204	50	40	KKGB	
CC[Si](CC)(CC)c1ccccc1[C@H](O)c1ccc2ccccc2c1-c1c(O)c(P(c2ccccc2)c2ccccc2)cc2ccccc12	675082953	OIIJIFPAMOAOKI-SJARJILFSA-N	674.897	9.921	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1OCc1cccc2ccccc12	1529548783	NUDCUZLRPCGFIN-RYAUWIGWSA-N	638.746	5.312	50	40	KKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4cccc(Cl)c4Cl)o3)s2)cc1Cl	2670881	OXMIQDWGYQCZNL-LFIBNONCSA-N	528.848	7.808	50	40	KKGB	
N#C/C(=C1/SC=C(c2ccccc2)N1c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1	3190755	DBWXZVYDOMXTGQ-FVDSYPCUSA-N	504.619	5.548	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)COc2c(Br)cc(C)cc2Br)c(O)c1Br	4017816	NBDKTPKNFSMYRG-GEVRCRHISA-N	629.925	5.288	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	10476021	IPOFIPSSMYCRMU-BIZUNTBRSA-N	517.025	6.562	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	14921370	LRUWJHWXRDOOHF-FJEPWZHXSA-N	501.454	7.496	50	40	KKGB	
CC(C)(C)OC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	23410887	RVGUVLZEKWCMKN-AUEPDCJTSA-N	516.161	5.429	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1	33957988	ZXYBCPYRJXVIQL-VFLNYLIXSA-N	505.880	5.035	50	40	KKGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	58917084	YRPDJMUQQYRVCA-SUOHIJMSSA-N	506.433	6.739	50	40	KKGB	
O=P(CCCCCOc1ccccc1CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	68592532	HLHUCZKXOPCUDV-UHFFFAOYSA-N	578.629	7.764	50	40	KKGB	
O=C(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F	80541971	IIYQDKPSLAINNX-UCZIYFJWSA-N	664.080	7.193	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2Br)cc1	97964257	UWKPKKJZYWHIPO-BSNXFQPHSA-N	769.288	7.181	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100123686	ZHEAEBMGGCRYMK-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCCCOc1c(I)cc(I)cc1/C=C(\C#N)c1nc2ccc(C)cc2[nH]1	100164870	UHJWJLZQCIPKFG-OQLLNIDSSA-N	583.211	6.324	50	40	KKGB	
O=C1OC(=O)[C@@H]2[C@H]1[C@]1(c3ccc(Cl)cc3)C(=O)[C@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1	100179848	WNUANDQWZMRUQR-LNXLNJASSA-N	551.425	6.692	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(OCC)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	100211500	DCMHEJKRCDXFKF-BIZUNTBRSA-N	610.088	5.521	50	40	KKGB	
COc1ccc(/C=N\NC(=O)c2sc3ccccc3c2Cl)cc1COc1c(F)c(F)c(F)c(F)c1F	100292302	XJFDAXCSBPZGQQ-YSGASBTCSA-N	540.897	6.602	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccc(F)cc1	100326262	DHUCXIOYAHNGJC-RPPGKUMJSA-N	583.195	5.544	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	100956059	CXFRKOCKMFCCGT-XODNFHPESA-N	585.123	7.180	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100991289	RNQULPCBOVOPSW-GFPZRUSRSA-N	587.326	7.129	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	101273328	NIMSGURHUPNCBX-QHCPKHFHSA-N	558.885	5.900	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccccc1O	103754393	RDWMNUDDSPLBBU-UZWMFBFFSA-N	545.624	6.225	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103883029	JGYATBGCVMOTAN-ONUIUJJFSA-N	586.917	7.090	50	40	KKGB	
C[C@@]12CC[C@H](OC(=O)Cc3ccc(N(CCCl)CCCl)cc3)C[C@@]1(C)CC[C@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@@H]12	104187483	NVRRKGOJPMOAEG-ADYHJMNLSA-N	577.637	6.726	50	40	KKGB	
CCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCC	150382834	LZSNHQOLTDNQCS-JCFUSDQVSA-N	680.691	9.706	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1cc(Br)ccc1O	150420732	VEDNUHHDPBDQNR-VPGWSJPTSA-N	637.446	5.030	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795497	LDDGSXXKBJPSPY-FGZHOGPDSA-N	798.410	12.791	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1	408552172	OWHXHKBPZDYWPA-LDADJPATSA-N	510.377	5.955	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OS(=O)(=O)c1ccccc1	408581687	YWZUKXGSCXJTTI-LDADJPATSA-N	610.267	6.284	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccccc1[N+](=O)[O-]	408598495	BOGDSIHMWHNAQI-CCVNUDIWSA-N	677.236	6.300	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408641044	JHHZOOUQHVRSGM-KIHHCIJBSA-N	702.783	5.721	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(F)cc1	408710825	NJWAOWVXFBYWLI-KBKYJPHKSA-N	634.614	6.031	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc2c(c1)OCO2	408745027	OVCGVKQFZZHQHZ-OCKHKDLRSA-N	568.367	5.462	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)ccc1I	408746689	FRYCMVPWFBMKOO-IPBVOBEMSA-N	664.121	6.721	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747336	MKVXMYLWOJDLSD-ZXSNDDASSA-N	565.467	6.568	50	40	KKGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)Nc1cc(Cl)ccc1Cl	408757820	CRHBEWVDHGSSSH-DHDCSXOGSA-N	518.334	5.215	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408766810	SECASXHSYOXLLX-XZYGTATASA-N	590.477	6.800	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	408786171	GDRHMOHCJUFQCH-ZCTHSVRISA-N	528.033	5.992	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc(C)c1	408790297	ORRRFJGQVWERJV-VXLYETTFSA-N	522.355	5.799	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408792954	CIOGVABSIZZVCO-LFYBBSHMSA-N	624.056	5.848	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCc1ccccc1C#N	408797897	UFJDRCBHNUBOOY-MFKUBSTISA-N	507.546	5.207	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccccc3)cc2Br)cc1	408799220	YIUZCNTUQJWCLO-KGENOOAVSA-N	521.411	6.371	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408806579	AFNAYDGNLLWIHR-GRSHGNNSSA-N	546.248	6.567	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(C)c(C)c1	408807531	DCULPIPFNNHPSL-SSDVNMTOSA-N	600.884	7.393	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408821631	JNZRWNJPRWTKJS-WGOQTCKBSA-N	631.954	8.513	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccccc2Cl)cc1	408826998	DYXACXQENBOEBY-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408839936	DIYLUTGSKKFCGT-RUMWWMSVSA-N	561.063	5.328	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408845134	OUNMIPRGFQWTJO-AABVJFSESA-N	648.528	8.120	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)sc2c1CCCC2	408847243	UKUMHPFHEGMKJI-PUHLOBNQSA-N	629.730	7.123	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408853245	QGHYDEIHICZQCY-QJOVZPHJSA-N	628.954	8.220	50	40	KKGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1	408862702	HNLZCVHEAFRFCC-OKCVXOCRSA-N	592.501	5.060	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408867582	LNOKRCYJBLWPQW-CIAFOILYSA-N	615.309	7.206	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1cccc2ccccc12	408868211	MZVFEOGVLCJGBK-AFUMVMLFSA-N	601.497	6.821	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c2ccc(C(C)C)cc2)cc1	408872855	KDCRHFDRXFDPBI-JFLMPSFJSA-N	529.018	5.026	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408875181	GTXOOOMQBUQTJT-FABQOPTDSA-N	646.980	6.970	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1	408878956	BXZHAXVWFDVHJK-SFQUDFHCSA-N	517.390	5.624	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1ccccc1Br	408881996	OOXKAXKXQUPQAU-XDHOZWIPSA-N	500.223	7.201	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccccc1Br	408883750	UQSZLALTSGRXNP-FYJGNVAPSA-N	631.308	7.139	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)c(OC)c1	408884775	VNMRLUNYQSGDSJ-DHRITJCHSA-N	543.019	6.321	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1Cl	408885520	BIKJRJGJKFZZCJ-OKCVXOCRSA-N	537.841	6.997	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408890220	PVLNVWXXUJKATN-LICLKQGHSA-N	556.358	6.074	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	408896905	URSPEJDBOAASHV-LDADJPATSA-N	511.361	6.166	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1	408897824	UFQADMMMFYPEEX-LDADJPATSA-N	545.842	6.033	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Br)c(OC)c2)cc1	408899137	NMNBCJAHCLADAQ-UDWIEESQSA-N	614.290	6.522	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)o1	408924754	OECYDIUAUTXSJG-UKTHLTGXSA-N	561.186	6.243	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	408942191	FXVFWMZRCJDBMY-BHVANESWSA-N	714.804	6.605	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1	408943235	HHQXZMFFFJVFRF-MUUNZHRXSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)c(OC)c1	408951217	IAUBDJTXKSMBKD-LSTDAIIBSA-N	777.012	5.651	50	40	KKGB	
CC(C)(C)c1ccc(OCCOc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)cc1	408971016	FUJTWBTTZNIMEF-PXLXIMEGSA-N	523.460	6.972	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl	408971631	KNPONUNLSMOPON-RXKJZGMASA-N	586.516	5.949	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408983982	PBHAEZRCMNZUQJ-MFOYZWKCSA-N	689.118	7.636	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1cccc2ccccc12	408984957	USRYLPROYLLUEB-OEAKJJBVSA-N	575.890	8.088	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408993588	WITFNTMWCMNLDP-FTRJSBHCSA-N	562.629	5.505	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1	408998695	NSDIUCPUZLRVQC-UMSFTDKQSA-N	564.689	6.897	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)COc3c(C)cccc3C)c3ccccc32)c1	409010151	AHQFAJHTHZNRGD-LMDZROSJSA-N	586.736	6.180	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccccc2I)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409011178	MQPRQJUZVGGAQY-CLHYIUPASA-N	707.609	6.704	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409033499	LLUHKWFXONFFGE-VTNSRFBWSA-N	628.508	7.567	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1	409077201	CUCLCGGNGPFEMW-LICLKQGHSA-N	501.848	6.283	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)OCO3	409101028	OQFFNHZMKABHBS-QFIPXVFZSA-N	601.207	5.646	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	409110521	DJPJUVJLGLMBHL-GATIEOLUSA-N	510.786	6.235	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1cccc(Oc2ccccc2)c1	409113346	FOVOQVZKOAAINS-UZWMFBFFSA-N	582.509	6.169	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	409114631	IPVRKLBQBHBZRL-OVVQPSECSA-N	504.439	5.346	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1Cl	409163135	MHDVVJUHIXMRQC-OCSSWDANSA-N	572.887	6.339	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc2ccccc2c1	409194666	QMXPICRUCSCAIU-OKCVXOCRSA-N	537.841	6.997	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409213706	UJOUZWBQGZMPEF-DPNNOFEESA-N	532.153	7.458	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409229657	SMJFWCBFQUEROF-DIBXZPPDSA-N	525.605	5.957	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409241982	TUYPMFFMBFVRPS-VYYCAZPPSA-N	577.350	5.009	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(OCC)c2)cc1	409249267	HAYDGVURRIXVJA-HYARGMPZSA-N	592.490	6.427	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)c1	409250412	LGAKSOQGDALSCB-YLYVUXRMSA-N	767.931	9.130	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409255612	MJTWZQOEPBNZMB-GIJQJNRQSA-N	512.349	6.300	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	409271275	UAODXQJGUYFRIU-KKMKTNMSSA-N	598.666	5.848	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1OC	409323519	PPQSDCFYFKTBQJ-NVJOKUIPSA-N	568.302	5.950	50	40	KKGB	
CC1(CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)SCCS1	409364687	OPWBFESXXPEWDY-FSJBWODESA-N	544.334	5.827	50	40	KKGB	
CCOc1ccccc1/C=N\NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C	409371265	GVDWJCFPLPFDBO-MWLSYYOVSA-N	528.074	5.005	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1O	409372262	KHDTZUCXNGUAMD-LUOAPIJWSA-N	605.725	5.456	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	409392663	RDVMYPLOYHBIBR-APTWKGOFSA-N	577.906	7.362	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409393223	VYPJMGVLBIFEKM-MNBJERMJSA-N	621.431	6.069	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)cc1	409394954	HZIGUSBVGQVBLH-UHFFFAOYSA-N	690.779	8.177	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395844	SKDXXBRIUXVULA-UHFFFAOYSA-N	708.840	9.272	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1	409395916	TZDYKKXJQZDLMH-UHFFFAOYSA-N	620.862	7.382	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cc(C)cc4c3-c3ccccc3)cc2OCC)cc1OCC	409396637	ZXTSAQUOUOGEAZ-UHFFFAOYSA-N	619.718	7.631	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1cccc(F)c1	409402934	LKNAMQGRBXEUPJ-UHFFFAOYSA-N	610.642	6.195	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)o2)cc1	409404601	QIYWATBHJYCZLN-AEUUOICLSA-N	677.393	8.134	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409406522	WZUQMABZFIRYKL-TVHNJDKYSA-N	686.987	7.175	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3O[C@@H](C)C(=O)O)o2)cc1	409409476	PJSYWIDXAKCVKM-PIEWVDTRSA-N	614.880	6.298	50	40	KKGB	
N#C/C(=C\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2cc3ccccc3oc2=O)cs1	1771302	PDKCUGJUAWVQFS-SDNWHVSQSA-N	507.449	6.018	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(OCc3ccccc3)c2)nnc1-c1ccc(C)cc1	1775259	IKPGJTFZZFAICP-STBIYBPSSA-N	515.639	5.103	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](NC(=O)Cc2cccs2)C(C)C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	2057378	JVVXPNPRHQEFJJ-WYVORDNDSA-N	555.531	6.200	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	2231709	MRJDGNURFAUBOL-RWPZCVJISA-N	502.665	5.185	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	3290658	XPCMIBKAZYNXDK-STBIYBPSSA-N	562.076	5.819	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccs3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3666905	KYIGLNRXPXYVGO-NRFANRHFSA-N	507.681	5.806	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)cc2)sc(C)c1C	6167259	PUFSWKNULBKDBA-LVGRRZFUSA-N	549.693	6.009	50	40	KKGB	
O=C(CCCCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl)NNC(=O)CCCOc1ccc(Cl)cc1Cl	8398893	CRZRUBLMLYYLHQ-UHFFFAOYSA-N	636.360	5.174	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	9322185	UKVXODKGWZTOQW-OVCLIPMQSA-N	508.743	5.372	50	40	KKGB	
CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc1	13552000	MZSRPYYMBFTIRC-RELWKKBWSA-N	503.631	6.732	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC[C@@H]1CCCO1	16804865	YFBRXZZHXXBQNM-SVTLXGSVSA-N	522.580	5.460	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	19940203	VLQDTDQPTHIEOL-SANMLTNESA-N	514.676	6.072	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(Cl)c3Cl)n2-c2ccccc2)cc1	31870567	RXPKOEQVMQEYQE-VYYCAZPPSA-N	512.422	5.492	50	40	KKGB	
CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1	38651505	CFDGOJVZCKAUOV-XMMPIXPASA-N	505.368	5.674	50	40	KKGB	
CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)c1	38651533	HGVQMGQMIUOETK-RUZDIDTESA-N	519.395	6.065	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc(Br)c1	58913269	PEWLGEOBLQQQAE-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccccc1	59332870	UEGNVJJJEUZNPG-HFTWOUSFSA-N	507.634	5.649	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	59332978	GWQOYHTUKLJJCK-STZFKDTASA-N	510.396	5.967	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	59853318	NYMNQGADJUJMSC-FDAWAROLSA-N	552.027	5.404	50	40	KKGB	
O=C(Cc1cc2ccccc2n1-c1ncc(C(F)(F)F)cc1Cl)NNC(=S)Nc1cccc(C(F)(F)F)c1	97971487	OETGEGHZLBQRQK-UHFFFAOYSA-N	571.934	6.277	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(Cl)cc2C)cc1	100122495	ASSVTPCNSQKMEB-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)Oc1ccc([N+](=O)[O-])cc1	100141853	NBFFCBMTUDXVJE-LJAQVGFWSA-N	527.577	5.825	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccccc1Cl	100176692	SNUNWUHSTKRVHO-VTNSRFBWSA-N	525.992	5.546	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	100227298	YANQSHIXYVTHBN-KEIPNQJHSA-N	622.143	6.062	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc2ccccc12	100235954	DGJMLQFYJMCNRB-CNCDYAKUSA-N	557.366	6.973	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303101	PVZZQKFLHQEGLS-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
CCCCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	100557566	NIRMOMHGUKKFAF-RFOVXIPZSA-N	569.334	6.015	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2)cc1	101566469	XCKUKAAFTGIDCB-LJAQVGFWSA-N	556.087	6.720	50	40	KKGB	
O=[N+]([O-])c1cc(Br)c2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1)N2	102410899	VLTWEAZQARLVMV-PYRBGSSCSA-N	560.857	7.304	50	40	KKGB	
C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341159	AIAXRNXZOFYKHD-VKHMYHEASA-N	888.081	11.021	50	40	KKGB	
O=C(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F	150352375	LXDDXXAFOATVOT-IECVIRLLSA-N	924.116	9.166	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	150385238	IEZIWNDYTKMCKM-QLQYKETESA-N	631.585	7.560	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCC[C@@H](I)CC(F)(F)C(F)(F)F	169795285	UTMQRYBQCYDSAK-KNVOCYPGSA-N	588.005	6.939	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Cl)[C@H](Cl)c2cccc([C@@H](Cl)[C@@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	226333599	QGMPHGMLCHYYHU-CZYKHXBRSA-N	604.186	7.839	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC	408538291	KKOSZFVCLVMGAL-PDGQHHTCSA-N	516.392	6.261	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	408538364	LOENGSNCXGYAGL-CPNJWEJPSA-N	553.419	7.761	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccccc1F	408541229	FILJQROCIASZJE-NVMNQCDNSA-N	572.330	5.262	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408542802	LDKTVTNCHBNEIK-UUYOSTAYSA-N	551.426	6.943	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	408643818	GMPYORBVDQEDQW-OZTQZWFPSA-N	549.813	5.177	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1	408657537	UMQCTNXKPQQTJP-HYBUGGRVSA-N	524.932	5.177	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@@H](Br)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	408685168	QGFHOWMNMXDFDJ-BDYUSTAISA-N	573.399	6.392	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1ccc(C)cc1	408710875	SRKGERJUFZJUJC-CCVNUDIWSA-N	531.834	6.161	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	408711971	SXAYQZMVWHEDRG-MUXKCCDJSA-N	580.704	6.536	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408725168	IANIQYWONIJWOM-MTJSOVHGSA-N	550.409	6.498	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c(Cl)c1	408742111	UYELTHWFZHVUGA-IBBHUPRXSA-N	554.847	6.992	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C	408743459	FYCKNNXAPDOJGI-UQQQWYQISA-N	540.461	7.290	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408745880	ANYGXFGQXCAESE-SXGWCWSVSA-N	636.094	7.007	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)NCc1ccccc1	408747220	KQGCCNONBQDEIZ-FBHDLOMBSA-N	551.238	5.886	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2nc3ccccc3[nH]2)cc1)C(=O)Nc1cccc(I)c1	408761560	GSFLTHHIHPPUSB-SFQUDFHCSA-N	520.330	5.292	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408766157	PJLHSEGIHTZLDG-HNSNBQBZSA-N	629.617	6.909	50	40	KKGB	
COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@@H]3C#N)c2C)sc2c1CCCC2	408773523	RFDZJTGSGJKRCG-DIFDEKSOSA-N	524.650	5.029	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	408782817	JWTZSOTWXNNUQU-UHFFFAOYSA-N	538.541	6.966	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408786645	UKGUSNGUJNDUID-STZFKDTASA-N	626.451	6.179	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC	408802292	YXHQIVRHDQOPCU-XNTDXEJSSA-N	555.210	5.787	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1	408817669	YFFHEVMIKGPVNJ-MNDYBZJGSA-N	522.388	5.987	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408819980	SHGARWSIAJSLRU-PXNMLYILSA-N	505.760	6.919	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408820990	BDPCWLDBHQNMRX-WGOQTCKBSA-N	587.503	8.404	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408824695	HHMBIZFXEULFGC-HZHRSRAPSA-N	652.770	8.569	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408838535	FXMQVLHSHAGBSO-IZYHBKOJSA-N	631.585	8.911	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)cc3)cs2)cc1	408838913	KAQCRAJORVVBMY-HNSNBQBZSA-N	548.716	7.100	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCC(=O)O)c(Cl)c4)cc3)cs2)cc1	408841993	HPEWBALBGORJAD-XKJRVUDJSA-N	555.443	6.396	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(C(=O)O)cc1	408842634	PHAWCPZQPIFNMS-HIWRWHBISA-N	584.576	5.884	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408860562	YNJRWYMZBLEHQX-XICOUIIWSA-N	620.171	6.534	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408862699	HNJQPYRWXZZOJS-JEPNHJGPSA-N	664.622	6.814	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	408880772	ITZQOGBIJSUUTO-CXUHLZMHSA-N	522.215	7.433	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1Br	408887469	OQXOXPGSAWOTHD-XDHOZWIPSA-N	556.254	6.735	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1ccccc1F	408887651	SEFPKRYQYPNSJK-FYJGNVAPSA-N	570.402	6.516	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1-n1cccc1	408889155	FEMOUDBWOGZJEB-LQKURTRISA-N	508.803	6.236	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408893189	CYQZXEAZXAGLGM-LPYMAVHISA-N	542.389	6.944	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1F	408893352	FEFBEASDSDXOQR-VCHYOVAHSA-N	610.345	6.972	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1cc(Cl)cc(Cl)c1	408922024	DKUYIDPYFCITAK-BHGWPJFGSA-N	512.178	5.769	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c2ccc(Cl)cc2)cc1	408923238	GMKHCUQPMKNCAZ-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc(F)c2)c(Br)c1	408951012	SXMWLFXDGOIIDK-NDEPHWFRSA-N	655.546	5.052	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1	408954492	XEUSMOCWHOVSMB-UHFFFAOYSA-N	523.420	6.271	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408956535	QXAAWRSRWAOECG-IRWRTZFPSA-N	822.407	5.270	50	40	KKGB	
COc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1	408964760	ZUCOYBUBCKJXSO-KVJAWELQSA-N	586.516	6.030	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408979299	MGHNCAFLEGSWBK-VOWJQMTESA-N	582.495	5.588	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(SCC(=O)Nc3ccc4ccccc4c3)c([N+](=O)[O-])c2)cc1	408988097	CNMFGXZPMYVRLH-OEAKJJBVSA-N	522.586	6.333	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)cc1C	408988330	DFLNMVUSICBYJY-QEGSDMNNSA-N	637.743	7.198	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1	408990850	ONOXJLOTAZCQQS-UCQKPKSFSA-N	531.837	7.689	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	408993223	VFHAILDMDHAIRB-NTEUORMPSA-N	537.966	6.463	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1ccc(C)cc1	409011254	GRQDALSXKWHKTN-VVEOGCPPSA-N	667.725	7.503	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)Cc2ccc(Br)cc2)cc1	409011671	HZYAGIRYAHNSGW-STBIYBPSSA-N	550.478	5.252	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(C)o5)(c5ccccc54)[C@H]3C2=O)cc1	409031216	JIUWSFCVKDKVBF-DOSGIIKKSA-N	559.622	5.343	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl	409035198	JEZIFJAFSKINIU-KMUKQRDJSA-N	570.476	7.950	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409063790	ACEQBDKLCDXWEB-VCHYOVAHSA-N	572.330	5.262	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409082957	UKWVYCNRQZCCEB-OQLLNIDSSA-N	655.221	7.875	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc(Cl)c1	409083068	KLOAVTQVCJMYNN-AWNIVKPZSA-N	533.711	6.801	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409090176	LXWIHVXUHPZZIZ-RIYZIHGNSA-N	584.282	6.114	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409120917	UNPSTKKQRBTWOO-ROPCREHHSA-N	678.982	6.625	50	40	KKGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	409160345	XZHQQBOFZBUMBF-LQKURTRISA-N	512.379	5.426	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1	409190138	LFWQOSJODWMDHJ-LICLKQGHSA-N	551.415	6.061	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc2ccccc2c1	409215995	CVLGZEDYUOGECQ-WCMJOSRZSA-N	583.935	7.476	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccc(Br)cc1	409222071	AFTPZDSHZGOMOB-UHFFFAOYSA-N	654.439	7.102	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Br)c2)c1C	409253989	HHIBQXCIVCYXCI-UNOMPAQXSA-N	538.829	6.283	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1	409257772	QDIJVQQLFXEBKU-ODLFYWEKSA-N	524.404	6.182	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1	409262620	IIHPJFXFMZIJQD-NDENLUEZSA-N	578.419	5.116	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)c1C	409270471	PXNPJPJJUMWREJ-NHDPSOOVSA-N	611.334	7.008	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409304051	PJEIKJUMJGCSJC-OALUTQOASA-N	560.286	6.370	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409309441	HFYVSWDWTKNHOQ-MBTHVWNTSA-N	572.958	5.909	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409317592	RADNIHPCGGRMAO-LJUMEUDFSA-N	587.898	6.808	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)ccc1OC	409319926	NRBXKKKMNJCKTG-FDVSRXAVSA-N	608.860	6.094	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OC	409321568	GVHPFBFAZHCWDI-MWLSYYOVSA-N	633.439	5.738	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OCC	409322144	KTOPLFPBHHMIRD-ACXHZZMFSA-N	556.446	6.047	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409366347	ULVICRQTZUUNJU-IPBVOBEMSA-N	586.111	6.660	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)cc2Br)c1	409374216	KYYSTNFZMJKGSL-GRSHGNNSSA-N	537.255	7.348	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1ccccc1F	409375725	OMDGPWJNKKLLMK-OJYCWLPVSA-N	585.632	5.984	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409378630	QRTSPUXFEKCSSS-LDADJPATSA-N	584.854	6.073	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1	409384548	CSHCQDJOOHLMDB-AQTBWJFISA-N	536.382	5.029	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OCC)c2)cc1	409388757	WARJUKLCFNZQAN-LTGZKZEYSA-N	515.566	5.056	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409394921	HPCRYSRQPDEYGB-UHFFFAOYSA-N	615.915	7.300	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409396145	WSEVGNZXBMSVQD-UHFFFAOYSA-N	799.528	10.066	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396852	BYEOUSNMFSKECJ-UHFFFAOYSA-N	684.317	7.738	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397221	HMYXIEQVFHNPQV-UHFFFAOYSA-N	641.338	8.830	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3Cl)cc2OC)c1	409397263	IBFHHVLNPSFTJO-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409399013	XIXJLZVRVHROFU-UHFFFAOYSA-N	566.013	6.763	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1cccc(F)c1	409401461	UDPKEPMXWPGEEZ-VHFSBPNMSA-N	646.513	7.519	50	40	KKGB	
C=CCOc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409403233	MEZHYAXFAGIJJA-FZPRHHONSA-N	671.386	7.519	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)o2)cc1	409406336	BTYFXWNYRNFLLP-LQNQUEJISA-N	524.533	6.198	50	40	KKGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(OC)c1OC	409407456	GAJAJMGCLQOCDI-UHFFFAOYSA-N	580.553	5.099	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccc(C)cc1	409410487	XNRNOGWGQFDLGE-OJYCWLPVSA-N	577.637	6.566	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	1529546645	GFTXQYPEZICZDQ-MKEMXLLOSA-N	828.442	5.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(C)cc2)c(OCC)c1	1529548759	NKAWBQSBNBQAHX-XQTSXZJRSA-N	742.636	5.462	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(OCC)c1	1529549049	SGWCYOUUVMMOSR-IZQZZFRNSA-N	746.599	5.293	50	40	KKGB	
COc1cc(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Cl)cc1	1531386426	PFBRJXBQLOOVTE-VHFSBPNMSA-N	618.517	7.924	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CC[C@H](C)[C@@H]2CC[C@H]3[C@H]4[C@H](CC[C@]23C)[C@@]2(C)CC[C@H](O)C[C@@H]2C[C@H]4O)cc1	2033240092	OJNMMFFBVGCZFD-NEBXLPANSA-N	524.746	5.552	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1	1767401	HIIPWKKXWLEPJG-XNTDXEJSSA-N	514.821	7.500	50	40	KKGB	
N#CSc1ccc(NC(=O)CSc2nnc(SCC(=O)Nc3ccc(SC#N)cc3)s2)cc1	2739513	OPLAOSLDQLIKCZ-UHFFFAOYSA-N	530.707	5.146	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	2824712	RIZDGWBMEYVBQL-UVHMKAGCSA-N	502.195	6.862	50	40	KKGB	
Cc1ccc(NC(=O)N(NC(=O)NC2CCCCC2)c2nc(-c3ccc(Br)cc3)cs2)cc1	3768117	BADMDILJJAYRCW-UHFFFAOYSA-N	528.476	6.466	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	6190704	OTBLLVABQNQSRY-RTQNPRDOSA-N	519.645	5.689	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCOc1ccc(C(C)(C)c2ccccc2)cc1	8408131	SDCWCBUTBBZSRG-PPFNPFNJSA-N	523.633	6.028	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(C#N)cc1	8812919	NAGRZJKVIDZLMT-RWPZCVJISA-N	508.372	5.071	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccco1	12250146	PBJMNNUUROERRP-MHZLTWQESA-N	526.662	5.535	50	40	KKGB	
COc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(OCc4ccc(Cl)cc4)cc3)CC(=O)N2C1	12251095	GPUMHMZOLJXSHB-QHCPKHFHSA-N	518.038	6.147	50	40	KKGB	
CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1	13583038	NGOZAOMMJRWOGP-RHANQZHGSA-N	507.015	5.296	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)c1	20243760	QSYJTJGJMXSHEK-WCNLIYRBSA-N	518.908	6.758	50	40	KKGB	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	25389795	DSIIOSXILMTJFP-UVHMKAGCSA-N	509.422	5.960	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1cccc2ccccc12	59186082	WIJOVPRTBMADFS-OCSSWDANSA-N	502.954	5.640	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1	59336594	IZTKZEWVNNJQDM-WQRHYEAKSA-N	516.222	7.189	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(Cl)cc2)cc1	59882481	PYAHEUDAFFURBJ-FDAWAROLSA-N	609.060	5.181	50	40	KKGB	
CP(=O)(c1ccccc1OCP(=O)(c1ccccc1)c1ccccc1)c1ccccc1OCP(=O)(c1ccccc1)c1ccccc1	95100938	STVRMJSLCBTTQR-UHFFFAOYSA-N	676.626	7.331	50	40	KKGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c1O	97961084	VJRVVJJYNOQHPV-VGIVWFMOSA-N	524.253	5.477	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1	97964241	OAACIMGYZKBBGN-ZXDVEOMESA-N	582.664	6.948	50	40	KKGB	
Cc1c2c(c(C)n1-c1ccccc1)[P@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)N(c1ccccc1)N=C2	97983517	QCZXWIZGAGWKSV-KDXMTYKHSA-N	531.556	7.255	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2OC)=C(C)N1	97986433	LVWRLWXLOODVET-SANMLTNESA-N	565.051	5.657	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1cccs1	97999541	DGKLYPOAEBXGOR-VWLOTQADSA-N	561.645	5.371	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccc(OC)cc3)=C(C#N)[C@@H]2c2ccccc2)cc1	98048565	SBBILYBSALDOCM-LJAQVGFWSA-N	567.667	5.823	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccc(SC)cc2)cc1	100955931	PBFMARQDYDCNNV-RDRPBHBLSA-N	594.671	5.321	50	40	KKGB	
O=[N+]([O-])c1cc(Br)c2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1)N2	102410904	VLTWEAZQARLVMV-VLDBVROHSA-N	560.857	7.304	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N1	102808861	GVOUKAMRJMWUQE-MHZLTWQESA-N	543.092	6.663	50	40	KKGB	
CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528485	XVABZZXHJSSODM-HNNXBMFYSA-N	556.335	9.349	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	104973880	GXJZWUXLEKKLFS-CXUHLZMHSA-N	570.192	7.899	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccccc1	105670799	VZGQJRHAVHJSRE-ZMOGYAJESA-N	582.179	5.239	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccc(Cl)cc1Cl	105692820	SIFVVDIBDCJXFQ-MHDJOFBISA-N	560.437	6.199	50	40	KKGB	
COc1ccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3)CCCN2Cc2ccc(N(CCCl)CCCl)cc2)cc1	150371902	PAJBBXFLRQLRSZ-UHFFFAOYSA-N	652.538	7.670	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3)o2)cc1	150386700	OZDIQWNKUOMULC-CNCDYAKUSA-N	633.941	6.028	50	40	KKGB	
Cc1ccc(-n2c(C)c(C(=O)NP(=O)(N3CCOCC3)N3CCOCC3)c([P@](=O)(Nc3ccccc3)c3ccccc3)c2C)cc1	195529681	VMNMENWGRGJDNT-GWHBCOKCSA-N	661.680	5.246	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(F)cc1	408550597	FMLYUNNCIGYYPS-VGOFMYFVSA-N	642.106	7.221	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1cccc(F)c1	408570791	YOVTWVPPFRIOBR-IPPBACCNSA-N	638.524	6.026	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408645479	SIWVDNSBNZTQNS-MJCUULBUSA-N	679.620	6.153	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(I)cc1	408712108	ZQWWKFKVOZAPOJ-KBKYJPHKSA-N	559.618	6.594	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	408718156	MVDBEEPOAPOHBN-XODNFHPESA-N	563.235	6.088	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)ccc1I	408746693	FSPCELZWSVVNMF-WKULSOCRSA-N	662.265	6.401	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1cccc2ccccc12	408794521	JJPKXQYRWKXAOD-HYARGMPZSA-N	608.863	7.621	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1	408795781	WFWDIMXJEUJKJC-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1	408798784	XFUJSWOOOUAAPX-WOJGMQOQSA-N	544.776	6.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(I)cc1	408799425	ZGLOMRYRDYNQEF-FYJGNVAPSA-N	586.857	7.030	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cc2cc(Br)ccc2o1	408820578	YTSKYNSGEGLCTJ-FXMZOFOKSA-N	597.090	7.608	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)NCC(C)C)o2)Cc2ccc(Cl)cc2Cl)cc1	408823493	FNULDMDKKMATMX-MTJSOVHGSA-N	560.503	5.965	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408823863	FRTQWHXCLXUUBA-OEAKJJBVSA-N	727.247	8.686	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408833916	XACDASJJZCLMJY-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cc(C)ccc2C)cc1	408838640	YTYGCNYDSONSMF-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)ccc4OC(=O)c4ccc(Cl)cc4Cl)cc3)sc2c1	408845950	PZGGMDAEWNMWHS-IRWBXMRWSA-N	715.840	9.168	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408847776	UOGMIEBGKUWRLT-IBBHUPRXSA-N	670.529	6.181	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(Br)cc1	408848288	VPMQXKUSLQHOTM-IZYHBKOJSA-N	767.487	8.971	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc2ccccc2o1	408855744	HABOZDOEUGBJQR-MNDYBZJGSA-N	672.260	7.138	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408857771	WMKGWSPRDJQXSG-FXMZOFOKSA-N	580.635	7.093	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408875405	FJBGROWZMFTNBS-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408878432	BEVZHNNOHHYRLL-GZTJUZNOSA-N	608.841	5.575	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1ccc(Br)cc1	408879655	CEMFSQNWQSKQJB-FYJGNVAPSA-N	584.308	7.297	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OS(=O)(=O)c2ccc(C)cc2)c1	408881070	LZVYQNQVNNSCKO-QGOAFFKASA-N	527.396	5.080	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OC(=O)c1ccccc1	408882813	RBSUEKDDGLQIGI-LQKURTRISA-N	503.352	5.594	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1Cl	408886026	CUSVZRNWECRLPR-YBFXNURJSA-N	617.827	6.685	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1c(Cl)cccc1Cl	408887026	LJFSMDGJMHZXST-WOJGMQOQSA-N	526.376	6.733	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1c(Cl)cccc1Cl	408891439	QMWJYQRDCYFYCT-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12	408899461	POZKVMOUQPLAMD-MHWRWJLKSA-N	500.190	6.309	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccc(Br)cc1	408925037	SBJFLABXGVAZER-WKULSOCRSA-N	568.265	6.716	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1	408941320	DMEXJXAGFAQYNE-HHHXNRCGSA-N	797.897	6.171	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(OC)c1	408948002	OMJGFLHSIFRMDF-YTTGMZPUSA-N	764.642	5.917	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c(OC)c1	408949576	FSLBJLLTKQILSB-HVJLQFNCSA-N	858.855	5.857	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OC(C)C	408968821	BTPZWXOASNOXGI-ZTADBQOBSA-N	572.489	5.434	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12	408969592	QMBABWHRCZBWRZ-CGIFBVTJSA-N	650.603	7.573	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCCOc1ccc([C@H](C)CC)cc1	408971046	GHXULJUYRZYLBP-PAYBXDNHSA-N	539.470	6.583	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc12	408982920	ZTLMPYAAUORKLV-SXMPYHCESA-N	519.642	5.435	50	40	KKGB	
CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	409014575	NBPPKZPVICAWJT-JHDYRUHQSA-N	546.849	5.423	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl	409027994	XEXYTKAXUREHCE-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409035356	JQYFWFNUYXULKV-MUFRIFMGSA-N	608.461	5.943	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409038782	FQRZWCUIKRGTDB-NKHVPTTDSA-N	731.215	8.919	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1	409045415	YHWYAUAISMBTJI-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1	409046985	LVZBNYHXJXOIPN-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1	409047270	NZDGJNFQAZCYHN-WOJGMQOQSA-N	574.244	6.874	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)c(Cl)c1	409054812	VMTOFAROIHNLSL-RPPGKUMJSA-N	539.200	6.249	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078982	JWOXHKOTYJXOQH-CXUHLZMHSA-N	576.325	7.031	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1Cl	409116284	IRJTWBKFYXKFHF-XZYGTATASA-N	640.589	7.010	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccccc2)cc1OC	409118507	QRUKVWPSEUESBT-FDAWAROLSA-N	625.545	5.219	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3F)c(OCC)c2)cc1	409159624	RNTJLJWTAWNEJU-VTNSRFBWSA-N	585.032	5.163	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)NC1CCCCC1	409186714	GXKWEEVYGAVAQI-PDGQHHTCSA-N	518.249	6.146	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)NCCCc1ccccc1	409236851	HMYCIUKRBVXLPQ-HAHDFKILSA-N	519.395	5.382	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1	409249156	JQUBPBAXFKZPDC-VBNMEBLOSA-N	558.245	6.714	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409254550	FABAIEOLEOKBMQ-NDENLUEZSA-N	538.431	6.572	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	409258408	XLAYEBKDJDJFCB-KFTQWTFOSA-N	561.263	5.838	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OCC	409306111	YMXQNFAZSDNAST-MWLSYYOVSA-N	584.423	5.672	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	409315408	IQSVXGPYRPLAPU-APTWKGOFSA-N	653.551	6.275	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409318965	ZAQRLQSROFMDFE-KMUKQRDJSA-N	602.087	6.416	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1OCC	409324991	VSZOFXNRZTWKHP-MWLSYYOVSA-N	510.974	5.569	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	409354620	AGIAWTVRSQORRB-KKMKTNMSSA-N	535.211	5.492	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)ccc4OCC(=O)Nc4ccccc4F)cc3)cs2)cc1	409381555	GLTGZKBKUGLIIY-QMRORBIVSA-N	614.102	7.436	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395189	KUQNHPDKCDSKLA-UHFFFAOYSA-N	738.622	9.442	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409395235	LIUYASOBZOVDRX-UHFFFAOYSA-N	760.664	8.768	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409396991	DUIHHKVPVKPQGL-UHFFFAOYSA-N	582.056	7.187	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397890	PEROKYPVZAPTQY-UHFFFAOYSA-N	606.893	8.095	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1	409405659	UIVGCBJLOJQCCR-AEUUOICLSA-N	629.069	7.179	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCC(=O)Nc3ccc(F)cc3)o2)cc1	409407261	ZFBLUGCZKLBZFQ-KMUKQRDJSA-N	580.616	6.187	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1	1529547891	QYPUZUZYQSPIJL-KZMIEDSXSA-N	637.158	5.121	50	40	KKGB	
O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	3293329	IXRSBZDLJHHBIS-UHFFFAOYSA-N	501.051	6.616	50	40	KKGB	
COc1ccc(C2=CS/C(=C(/C#N)C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)N2)cc1OC	3392290	VIJOAEFQOUYSHU-BWAHOGKJSA-N	535.626	5.168	50	40	KKGB	
O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)c1ccc(-c2ccccc2)cc1	4175108	PETLOKXHNUUKMQ-GFNLNDANSA-N	637.324	5.676	50	40	KKGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1	8427060	VVQJJRMTCHDSIL-HPNXWYHWSA-N	587.632	7.096	50	40	KKGB	
CC/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(O)cc1	9350252	KSYVKQFIGSJYAB-XHLNEMQHSA-N	518.664	5.054	50	40	KKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)cc1	10059574	CMJLCZBOWNLXLN-ZHJRCGOFSA-N	509.404	6.613	50	40	KKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3O)c2-c2ccccc2)cc1	12363918	SMJYAKHPCOCCKB-QNKGDIEWSA-N	515.569	6.067	50	40	KKGB	
CCOC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)sc(C)c1-c1ccccc1	97948097	YAVQANYYUUJREM-UHFFFAOYSA-N	552.118	5.944	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(-n2ccnc2)cc1	97980779	IXDFOTGEYZMUBF-BGDIREAQSA-N	598.128	6.071	50	40	KKGB	
CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1	98050462	XOSWUIPYHKIQSZ-XSDIEEQYSA-N	557.323	6.159	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)cc(Br)c1O	100047178	HTICVFYBVOHKGR-YBNVSJCISA-N	579.495	5.321	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2C)c1	100119574	QDJDWDUGVPLGBZ-SBWWSWLISA-N	562.717	8.600	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)nnc2-c2ccc(Cl)cc2)cc1	100242236	MPIVODBFTJJCBJ-OKCVXOCRSA-N	582.082	5.255	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1	100989424	IBOJOJXKNCSZBK-WTALZMIHSA-N	538.854	6.167	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2nccs2)N[C@@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	102139645	KEUDYZPWVHJBIR-FGSXEWAUSA-N	585.054	5.402	50	40	KKGB	
CC1(C)[C@@]2(C(=O)Nc3nc4c(s3)CCCC4)CC[C@]1(C(Br)Br)[C@@H]2Br	102729786	CBGCKYQNLWIFBQ-JECHBYEQSA-N	541.147	5.646	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Br)cc1	103884039	SFCKNPDREGCADL-KQWNVCNZSA-N	625.361	6.445	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc2ccccc2c1	103889831	ZIWBNARBTLKYDU-MTJSOVHGSA-N	537.830	7.933	50	40	KKGB	
CCOc1ccc(/N=N/c2ccc3oc(=O)c(/C(C)=N/NC(=O)CC(=O)Nc4ccc(Cl)cc4)cc3c2)cc1	104292089	XDIFPRCWMHKNKS-ARWKGFMTSA-N	545.983	6.130	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[P@+](Nc1c(Cl)cccc1Cl)(c1ccccc1)N1CCOCC1	105615963	RDUGJYFSUPRMPE-DHUJRADRSA-N	526.428	6.039	50	40	KKGB	
CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341542	GNYYVPMGMINEEY-LBPRGKRZSA-N	864.303	12.626	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(I)c1OC(=O)c1ccc(OC)cc1	150423398	IMVIHLHIKRHMGR-LICLKQGHSA-N	692.260	6.134	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)C(I)I)CC[C@]4(C)[C@H]3CC[C@@]21C	150544359	JZAGLOUEHFUBBB-WFTGIVLKSA-N	680.493	9.136	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408570497	VZFMUEAGIAATSD-PXNMLYILSA-N	523.318	6.024	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1	408581206	HOKGUKYBNCGPKO-RGVLZGJSSA-N	513.229	7.172	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1	408608877	QDBDUJGPBSFODT-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408641621	KRXCOVOWCKZKEU-VCTPWBKUSA-N	772.938	8.331	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Br)ccc1OCc1ccc(Br)cc1	408719666	JLBCUEDKFVWIDP-UVHMKAGCSA-N	578.326	6.183	50	40	KKGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408725832	IJWSLYDYCFSLBA-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408726055	OJPVBIVUIFXQMC-MFOYZWKCSA-N	542.773	6.144	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Br)cc1	408727465	ZAGCWNHBDWEYOB-ODLFYWEKSA-N	603.254	6.495	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCc1ccccc1Cl	408734906	GYEZZAAFXMUVCA-MHDJOFBISA-N	604.888	6.309	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1OC	408742055	MRIRKDWWQNDPKW-GOJREDGKSA-N	653.520	7.753	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1	408745317	LKWNTZQFPQFIEQ-JYRVWZFOSA-N	502.708	5.825	50	40	KKGB	
COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I	408747865	UWWRHGFMWOINBX-WDZFZDKYSA-N	608.999	5.213	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408757513	YUPIJORZBVTZAH-XDHOZWIPSA-N	618.449	5.320	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCC	408765907	RNLFIJOYGNJGJU-LSHDLFTRSA-N	507.155	5.159	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408786211	HCBGUQOAWJANHZ-ZTKZIYFRSA-N	512.075	5.682	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1	408789429	JCSPIWPRDYPTED-CIAFOILYSA-N	594.418	6.057	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1cc(Br)c(N2CCCC2)o1	408808818	FRDJKKRBPYEAHW-MRUKODCESA-N	601.093	5.245	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OC(C)C)cc2)cc1	408821880	AATJQKYWBZZWGM-HYARGMPZSA-N	505.412	6.669	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(Br)cc1	408832371	QJBAJKGFYWXLKM-STBIYBPSSA-N	566.477	5.098	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408839479	SXWQBLXSRNRQHB-MWBNBJEGSA-N	632.525	7.842	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408849619	ZOMBDAZQCXCGRK-ATZGPIRCSA-N	621.433	6.536	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccccc1Cl	408852850	JLQDTUJPSVUQMC-VXLYETTFSA-N	503.223	7.798	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408863888	VFUQXJQJCAIFFM-HNSNBQBZSA-N	636.568	5.999	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408872694	OHTLQKCHHXJHJN-GIJQJNRQSA-N	590.352	6.899	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1	408878238	YQVOAJADXOWIHC-FZPRHHONSA-N	598.603	5.087	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	408878863	CTZPBFCQWMCKKJ-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3cc(C)cc(C)c3)c(OCC)c2)cc1	408884120	WUOMYVDHZTVBIN-ZVHZXABRSA-N	608.476	6.620	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408889622	HZGXWQHPHXPDHF-RPPGKUMJSA-N	502.448	6.425	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408890563	VQWZYGKQXBUXQW-CXUHLZMHSA-N	596.286	6.386	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2I)cc1	408897222	QUUWRBVEFKWWSA-VXLYETTFSA-N	679.252	6.546	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OCc1ccc(F)cc1	408922956	HVXXURGCXDMYPE-RQZCQDPDSA-N	562.766	6.217	50	40	KKGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(I)c1	408926796	YNFPOILFDYUULM-SFQUDFHCSA-N	528.733	5.709	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Br)cc1	408949593	ILZCQGUHCQJJTG-MTJSOVHGSA-N	609.318	6.546	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1ccc(Br)cc1	408950045	GHLBFZLZSMPLLG-MIAWKINXSA-N	611.318	6.308	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408963722	OSURUGDBNDUSLT-KLPHOBTLSA-N	590.223	7.516	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2)cc1	408981141	UVSDNIYRHWNQTD-FUGGPRTCSA-N	562.091	5.787	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(I)cc1	408986036	ZEIVVDJNOCBYOK-YBFXNURJSA-N	698.726	7.381	50	40	KKGB	
O=C(COc1ccccc1I)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408993004	UMCPXWQWCDAQDH-BCHBDCPOSA-N	782.110	5.307	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409015747	FAPMRHUXTDVOBR-MNDYBZJGSA-N	579.407	5.412	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409033808	LYIQPTNBMRFULP-MWLSYYOVSA-N	612.265	6.598	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409047096	MZIBRTJJHBSANZ-UUJVXHCESA-N	510.259	6.611	50	40	KKGB	
N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409048513	OYHWNCOCWMESCE-SEBMTOOBSA-N	532.603	7.270	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl	409054069	QTWSZUPZJFOMSN-BRJLIKDPSA-N	502.752	5.662	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1	409057531	PRDGTLQFJKKANT-RQZCQDPDSA-N	548.618	7.416	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409067976	FDTDCEJEVMVSQL-LTGZKZEYSA-N	553.036	5.789	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409069765	WITWSUCLZIQJLI-XDHOZWIPSA-N	545.444	6.322	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCc1cccc2ccccc12	409070034	ZHSMBYRNZQIREF-YZSQISJMSA-N	523.032	7.745	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1	409208362	AZENEASMMPIXOY-LGJNPRDNSA-N	519.848	5.933	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccc(I)cc1	409221925	VVRXUBSFNDMUFZ-KBKYJPHKSA-N	641.329	5.291	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1	409222624	CRBPKSCFWOPUPI-FZPRHHONSA-N	576.436	6.546	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccccc2)c1	409225349	OPRPXUBGTGIGBJ-UHFFFAOYSA-N	665.294	6.176	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409227687	ZTDMDKDYUUPTBY-UHFFFAOYSA-N	582.569	5.238	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	409227727	VTBDYURCYOOGEA-NCORDJIRSA-N	564.016	5.375	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccccc1	409229673	SSTPOPRNPSCOIP-VRKJEAOJSA-N	520.243	7.664	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1C#N	409233847	UCMPGYQWKNZJET-OCKHKDLRSA-N	603.338	6.315	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1	409234231	JGPMOVTWLCOTAZ-WBRURWICSA-N	506.356	5.721	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409247222	GYJXTCNSZMMSOA-JWGURIENSA-N	588.655	7.851	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409251471	QJIBFKXVLHWBHJ-ADJDCTSUSA-N	674.610	8.267	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)c1C	409254061	HMNAEZJKCSHRMQ-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409255336	HHYVUHMFXDBKJL-JAIQZWGSSA-N	629.882	6.523	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cc(C)ccc1C	409263788	MQZPNMNVPKBUOK-BKUYFWCQSA-N	514.538	5.174	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409269678	LMVJBINCDHYPNV-FDVSRXAVSA-N	538.442	5.554	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OCC)c2)cc1OCC	409316329	XHQFPXGTGFBZRG-LJUMEUDFSA-N	620.459	6.359	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)ccc1OCc1ccccc1	409325589	ZMIGBTRCXHJJJQ-DLCNMLRHSA-N	636.930	6.780	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372500	YUVHAZANSUTYLS-IUXPMGMMSA-N	504.167	7.307	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409374525	RVDYHXKBLGKGCZ-ZDLGFXPLSA-N	519.355	6.194	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1cccc2ccccc12	409387038	SQAFVDUKZGBCNR-WCMJOSRZSA-N	604.482	7.467	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409394429	AHIMOZLYFZIXRR-UHFFFAOYSA-N	548.555	6.125	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)c1	409395136	KHIBSOGJHRGSRF-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)c1	409395267	LUCOUXMIAGJGDM-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398296	SHAMUPYVRAUUAL-UHFFFAOYSA-N	706.977	7.658	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409399237	YPVSUVTUNULREF-UHFFFAOYSA-N	606.893	8.177	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc([N+](=O)[O-])cc1	409401234	HAWBXTHNMHCZIK-RODHXAHZSA-N	752.416	8.051	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(Cl)cc1Cl	409404956	RNGSRTWSNWZSNI-OAZBTLTBSA-N	745.885	9.730	50	40	KKGB	
COc1cc(OC)c(OC)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409407837	IJVHXEDJJPNNFA-MWLSYYOVSA-N	503.555	5.056	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2F)nnc1-c1ccc(C(C)(C)C)cc1	1755888	DPXKTWXWMOERRK-LGJNPRDNSA-N	518.456	5.407	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1	1882150	JYPCILASEIQUSO-CCVNUDIWSA-N	571.446	5.790	50	40	KKGB	
CC1=CS/C(=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)N1c1ccc(OC(F)F)cc1	3198670	MMONQMCYDIYRPX-LNVKXUELSA-N	508.554	5.012	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	13923392	SYVFUXXTTLHNJP-LUOAPIJWSA-N	511.192	5.968	50	40	KKGB	
CC(C)CCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccc4ccccc4c3)c3ccccc32)cc1	46085029	RQPDVXGOUGTCLI-NMSHJFGGSA-N	521.617	5.711	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C/c1c(O)ccc2ccccc12	97966477	NAQFEFXTGQBDNM-DKBBSDKKSA-N	677.589	7.443	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc2c(c1)Nc1ccccc1S2	97980853	ZGZCNSGBYFRJQS-YUMHPJSZSA-N	520.661	5.911	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1cccs1	98000067	HLXNHZQQIZZUQV-HHHXNRCGSA-N	558.729	6.389	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100123790	IAFIZBZMSXVQOP-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
O=C1OC(=O)[C@@H]2[C@H]1[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1	101358237	WNUANDQWZMRUQR-SNJRAOIRSA-N	551.425	6.692	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	101558957	LWFFMRPSANNNFX-MUUNZHRXSA-N	544.076	6.460	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H]([C@@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1	102656043	KTXWRLRHUGGPSV-RPZLJYRGSA-N	505.206	5.070	50	40	KKGB	
COc1ccc(C2=CS/C(=C(\C#N)C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)N2)cc1OC	102949230	VIJOAEFQOUYSHU-XIEYBQDHSA-N	535.626	5.168	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(F)cc2)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	103527278	CMFZMNNPSJUTDI-TZBSWOFLSA-N	596.027	6.084	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\CCC/N=C/c2ccc(N(CCCl)CCCl)cc2Cl)c(Cl)c1	104091328	NQWSYJNONGUVSX-DHSSLTKXSA-N	599.261	7.490	50	40	KKGB	
Cc1c(OCC(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)ccc2c(=O)c3ccccc3oc12	104246098	PTCAOBAXRSYQKK-OKCVXOCRSA-N	526.420	5.068	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1	150368528	AZORPPBGAXHTLA-IPHFVPNQSA-N	643.121	6.205	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCCCCCCCC	150382811	HVQZYCXYFLFKKQ-POTCNAANSA-N	905.123	15.948	50	40	KKGB	
CN(c1ccccc1)P1(Cl)=NP(Cl)(N(C)c2ccccc2)=NP(Cl)(N(C)c2ccccc2)=NP(Cl)(N(C)c2ccccc2)=N1	150482904	OHUVNQRMISNNMF-UHFFFAOYSA-N	746.328	13.286	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Br)cc1	216042478	QZTBEKLWMVDSPR-MUXKCCDJSA-N	560.286	6.109	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	216062969	IUUVTBOGLQCLJL-RWPZCVJISA-N	623.285	6.194	50	40	KKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Cl	408540348	QNMGJTJLNVZPCT-MZFJOGFUSA-N	543.491	7.694	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1I	408548270	FLRWRDOOQSQQND-NVMNQCDNSA-N	551.165	6.512	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc(Br)ccc2O)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	408566193	FBUJXMQBCZFPFB-KVSWJAHQSA-N	531.237	6.537	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12	408570650	XJAXKJCEPKXUAP-KBVAKVRCSA-N	558.681	6.125	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(Cl)c(Cl)c1	408589062	YFOOFTOPOMWROU-APSNUPSMSA-N	572.511	8.815	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1	408673220	QJAMDCFEHZPDQC-VQHPVUNQSA-N	570.665	5.027	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408677949	WINDKBXVBQGYGC-FMFFXOCNSA-N	572.503	6.944	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408710606	QHPRXZZRXFUJJZ-VFLNYLIXSA-N	582.278	6.515	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1cccc([N+](=O)[O-])c1	408723167	NSZKNCUHJLFAFT-WVLDPRMZSA-N	576.996	5.215	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408740876	IVHYLKHFIUYNDQ-FMFFXOCNSA-N	510.424	7.882	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1	408744718	GQAGPLVQVYTTNX-JAIQZWGSSA-N	598.393	5.521	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)c1	408747071	YYYGJTFENVUHEO-ZDLGFXPLSA-N	576.274	7.288	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408747322	MCIUREQWKARTRA-JMIUGGIZSA-N	522.355	5.168	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1cccc(F)c1	408763941	GSCYSLPVHBEPHG-XKZIYDEJSA-N	535.413	6.840	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	408765700	NHVGKWUSEZVWLL-GDNBJRDFSA-N	562.785	5.324	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	408780188	UXPJGYQYBYJKJF-CHHVJCJISA-N	604.080	5.827	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408787702	FBUHJRIRROAKTP-KEBDBYFISA-N	621.302	7.738	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408788636	LTKPTQXBTVKMRB-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408791635	ZZKXFUDXCUIGAI-RGVLZGJSSA-N	535.940	5.558	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(I)cc1	408792769	CMWUOSWJFVPUPM-UDWIEESQSA-N	617.281	6.886	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408793414	FFNBPIGTWLECQH-WOJGMQOQSA-N	556.800	6.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408798927	XJSDIGRIMZOSIX-CIAFOILYSA-N	505.958	6.388	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccccc1Cl	408799080	XXVOXWYGLSUFKX-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1Cl	408808546	QCFREVGXDADFHS-KOEQRZSOSA-N	503.001	8.080	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)c(Br)cc1OCc1ccccc1C#N	408808592	QIAAACMKNHYKCE-KEBDBYFISA-N	536.813	6.416	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408824522	QTQOZVMAHZPXTK-KOEQRZSOSA-N	628.479	7.460	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1ccc(C)cc1	408841356	FLXIQXJZXRJAIC-XZYGTATASA-N	612.107	7.497	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Br)cc1	408845095	JYVUQSUQBORCCZ-VXLYETTFSA-N	592.125	8.016	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1C#N	408847569	NPOJHGKSQXTJGK-BIKKEBSBSA-N	680.546	7.671	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc(OC)c1OC	408847929	VWWDMQADSDSLNB-UHFFFAOYSA-N	574.442	5.561	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c(C)c1	408852626	VDJXOFOXNAJALN-ZXSNDDASSA-N	500.646	7.241	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1	408853383	OFJSSAAAWLBZQB-RGXNXFOYSA-N	517.589	6.532	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc2ccccc2c1	408859397	WVUKDPUJQACBPR-FZPRHHONSA-N	618.325	8.182	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(C(C)C)cc2)cc1	408862686	LICYBGRIEHHWRB-GUBAARJWSA-N	605.760	7.196	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OS(=O)(=O)c1ccccc1	408878954	BXWASHPEWGSTRN-QGOAFFKASA-N	574.396	5.003	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408881984	PIMNZVFYPFXAHB-LDADJPATSA-N	600.263	6.384	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)c(OC)c1	408883021	SSBAHFRFPSUPPI-KEBDBYFISA-N	510.949	5.307	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1Cc1cc(C)cc(C)c1	408885365	YTUUNNSZCIBDDI-FSJBWODESA-N	503.440	6.828	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1c(Cl)cccc1Cl	408888628	YAZMPFMXZJUVBO-QGOAFFKASA-N	566.238	7.674	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(Br)c1	408889062	DEKKCGIUHMDQPJ-LDADJPATSA-N	560.673	7.298	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)cc1	408890424	SXDPDAVWLFZIHE-UVHMKAGCSA-N	564.807	5.370	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OCc1cccc2ccccc12	408894601	JTRADGRSPTXJNX-CIAFOILYSA-N	653.860	7.529	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408894699	KQMDINBPPCGFLA-LICLKQGHSA-N	746.215	6.755	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(Cl)nn1-c1ccccc1	408895121	TWCHHTNTGGIVFS-QNKGDIEWSA-N	526.084	6.053	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)ccc1Br	408904801	OWTAHZAHVXMRRT-ROTLSHHCSA-N	609.218	6.005	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(I)c1OCc1ccc(Br)cc1	408909588	HGBCXLJNQYBUSK-IPPBACCNSA-N	637.312	6.177	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)c(OC)c1	408948281	COHJFEDGQXFTET-OCMMYEJBSA-N	811.457	6.304	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	408970028	YVQOTNKRKJAASS-OUBHMQKASA-N	606.550	7.174	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1	408989132	HBGLWYBDXILBTI-DGFUNKFISA-N	613.677	5.852	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409032972	JYYASJYWDHQAMG-ALQBTCKLSA-N	672.479	7.156	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12	409040307	YGIKIBJWNCCSFE-OHUYPAJKSA-N	570.874	7.661	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl	409059721	NSAIBOFICBLCMO-IPBVOBEMSA-N	579.720	6.295	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1)S(C)(=O)=O	409116913	MTDQPVMDYKBAJO-UZWMFBFFSA-N	521.642	6.032	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	409133053	QJSVHAGSXZPUTR-HXUWFJFHSA-N	575.213	5.514	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)cc1	409166194	CONNAIUPOLJUQR-ROPCREHHSA-N	649.420	5.148	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12	409181989	HHIFAQRTLSMHAL-XUXWAPCISA-N	652.019	5.132	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c2)c1	409225032	NCCVMNUXOGVLJZ-UHFFFAOYSA-N	562.409	6.237	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409259482	ZWFALPGUNJFNPA-KGENOOAVSA-N	548.437	6.028	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(OCC)c2)ccc1OCc1ccccc1	409259872	GWGKMSVMGLQSPA-CLHYIUPASA-N	674.592	7.224	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)cc1	409261340	AJFQWVFQIPIVEG-HYARGMPZSA-N	592.490	6.427	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1Cl	409266553	ZXCUJOYQSVSVSW-AQTBWJFISA-N	510.377	5.955	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1OC	409314865	HLLAXFLZNMJYAB-QDTIIGTASA-N	580.248	6.101	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1OC	409314960	UBVOTESFCDSDCR-FDVSRXAVSA-N	500.954	5.628	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409320585	DMMVXDHONWJWES-CPDSRJINSA-N	594.289	6.681	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409322012	VOPBLNNHGVSLQA-RTBURBONSA-N	603.311	5.809	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)ccc1OCc1ccccc1	409324938	WSDXUYYUPDBBRV-KMUKQRDJSA-N	682.409	7.931	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)c(C)c1	409364487	PVYRBLKFECWECU-XDHOZWIPSA-N	522.374	5.768	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(I)c1OCc1ccc(Cl)cc1	409365104	PYCKHYMPXJOSNS-FDVSRXAVSA-N	608.860	5.632	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	409367769	FWABBMJZUIOXBE-KKMKTNMSSA-N	673.676	5.851	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1Br	409368797	NKQISZOESNRIRU-PPDIBHTLSA-N	634.177	5.860	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1c(O)ccc2ccccc12	409369204	HWXPAHXZHOGCON-CPDSRJINSA-N	621.340	5.956	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409373519	VBZGGHDEIYFTLM-GXBUFBABSA-N	569.727	5.840	50	40	KKGB	
COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	409382105	KZELDIFNLYJMHC-FABQOPTDSA-N	612.111	6.997	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409395502	OJOKGADYTGJFAL-UHFFFAOYSA-N	627.451	6.887	50	40	KKGB	
COC(=O)[C@@H](C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409403942	ORLHWKDGOUJAHY-IUIVBBIGSA-N	565.626	6.124	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409404509	QBZPLMBGOBBZPM-CVUIAOGPSA-N	754.465	8.516	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(N)=O	409404965	RNTFUQCLFYJURZ-CNCDYAKUSA-N	609.477	5.055	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1	1529547943	SBVPMRMBPFTIPI-FAUQODKRSA-N	854.461	5.089	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1	1790440	LKCILQMNBUCHRY-GFPZRUSRSA-N	508.430	5.736	50	40	KKGB	
Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c3ccc(Br)cc32)c1C	1879793	HSHDYBILTNVEMZ-DERWNQMKSA-N	567.528	5.170	50	40	KKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCC2	2669782	GVILEALUJKNSJF-JLHYYAGUSA-N	501.391	6.526	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/C=C/c1ccccc1[N+](=O)[O-]	9046552	ZZTQKIBSGDUITB-AEQNYHIXSA-N	525.034	5.919	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1	10476019	PCIVGOCRMSIGAS-MUFRIFMGSA-N	501.410	6.063	50	40	KKGB	
N#C/C(=C/NNc1nc(-c2ccc(Cl)cc2Cl)c(Sc2ccc(Cl)cc2)s1)C(=O)C(F)(F)F	12958225	XPURCIBJXAXRQP-KTKRTIGZSA-N	549.814	7.377	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@H]1c1ccccc1	20170565	FMBPZRLIAFBBTR-GDLZYMKVSA-N	521.642	6.210	50	40	KKGB	
CCOc1cc(N/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1N1C(=O)c2ccccc2C1=O	65740897	MDHUGAXFJCJVGE-CCEZHUSRSA-N	504.905	5.136	50	40	KKGB	in-vitro
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br	98087122	UWXZYUOOEQIOFB-RWPZCVJISA-N	524.415	5.246	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccc(Br)cc1	100066404	BOEQIZYGUOWXRC-QRQIAZFYSA-N	554.901	6.291	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)cc1	100078343	VDAIXJBXHUVLFU-XZCYHHARSA-N	550.851	7.848	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl	100127672	XIWUJZXNUCMWLN-KBVAKVRCSA-N	585.513	6.110	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(C)cc2)cc1	100242955	MMOMUZJQKTXRNB-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	100853929	MPUBUNPYPNHLHK-WTALZMIHSA-N	528.848	6.712	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc2ccccc12	100952610	GNRLMNOGGHOHEQ-LPYMAVHISA-N	619.415	6.876	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)CNc3ccc4c(c3)OCO4)N=C3CC(C)(C)CC(O)=C32)cc1	102591425	ASBPRHXVDVFAHC-SANMLTNESA-N	531.634	5.744	50	40	KKGB	
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)c1	102619396	CSIHTYNIPBABOK-RUZDIDTESA-N	538.069	6.635	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OC(=O)c1cccc2ccccc12	102935155	TZXHSTIAHQJSHG-RCCKNPSSSA-N	537.528	5.920	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1	103890459	DMTGKIYTVRLHOP-YVLHZVERSA-N	580.693	7.933	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1	104952525	HFCXYAXBVSKORR-MHWRWJLKSA-N	520.185	7.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1	105984646	LHYSTEIWXCKTPL-KBVAKVRCSA-N	551.868	6.926	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)CCc3ccccc3)c3ccccc32)c([N+](=O)[O-])c1	112255635	QQFIXNHHVBYHED-LYIOYCTOSA-N	584.632	5.189	50	40	KKGB	
Br[C@H]1CC[C@H](Br)[C@@H](Br)CC[C@@H](Br)[C@@H](Br)CC[C@@H]1Br	150338834	DEIGXXQKDWULML-SDONNHMOSA-N	641.700	6.922	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)[C@H](c3ccc(Br)cc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)[C@H]2c1ccc(Br)cc1	150410753	FVPZZKMLJFRKIA-RNPORBBMSA-N	776.620	9.424	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccccc3C(F)(F)F)cc2Br)ccc1OCc1ccccc1	408540358	QSNLMJWTVGXPIG-HTVDVWKISA-N	692.326	8.161	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550778	HDGGGUSTPGQZBK-ACXHZZMFSA-N	536.415	6.327	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408567360	DBAQNCQBYNMUPI-XODNFHPESA-N	667.401	6.707	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(Br)cc1	408567877	GQFKOJMPRYWQKQ-WGARJPEWSA-N	530.513	5.864	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCc3c(Cl)cccc3Cl)CC2=O)cc1	408604962	JHYLYQAQEFZDHY-INIZCTEOSA-N	530.408	5.086	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(F)c(F)c1F	408606204	PFEQRRRHKFMGHL-WOJGMQOQSA-N	520.511	6.077	50	40	KKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c1	408611047	PQDYQDOFYOSLJL-LGJNPRDNSA-N	500.780	5.079	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408665744	ZJIBEXBGIMIOBI-BRORTUQTSA-N	678.399	7.777	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(N2CCCC2)cc1	408678344	XHALZOHGDHLMFZ-JVWAILMASA-N	570.387	5.143	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408712013	VRFGSJQJERLSPF-VYYCAZPPSA-N	591.256	5.790	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccc1O	408729182	AEYFMTUFNYFVIH-GTWSWNCMSA-N	502.530	6.189	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408751043	VRWBWYVGTQLNAB-KYHGBAKBSA-N	722.748	6.514	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Br	408763563	GBUPEWVVGWEOAW-WKULSOCRSA-N	582.377	6.994	50	40	KKGB	
COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)ccc1OCc1ccc(I)cc1	408768832	KALQIZAFNHMDLV-WJTQXWFZSA-N	575.410	5.087	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C	408774517	WDRUPPMYNGYDKW-MSXFZWOLSA-N	573.569	6.711	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408778798	KYVBDBNVYJGJRH-OCKHKDLRSA-N	590.301	7.676	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408787527	BIEWKRJWCQXRDX-RQZCQDPDSA-N	589.773	5.986	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(C)cc1	408792034	GUQXGGNNZODKKU-TURZUDJPSA-N	518.613	7.097	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccccc1F	408794955	UFYYWHBALHILTQ-BUVRLJJBSA-N	587.445	7.300	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OCC)c2)cc1	408798264	VLNAJKFETZEBKF-LPYMAVHISA-N	501.970	6.134	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408804155	WMXGSDOAZXZTJM-OGLMXYFKSA-N	658.536	8.010	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1c(C)ccc2ccccc12	408805326	AASDGKNILUNWMA-ZVHZXABRSA-N	511.021	7.552	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12)OCc1ccccc1	408816499	WGSMYYXDIMUTDS-OREYQFFLSA-N	569.665	6.159	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	408831135	PVXLRTSWNBZCRW-PCLIKHOPSA-N	598.453	7.369	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408835400	WULQSIIROQMYFW-OEAKJJBVSA-N	652.770	8.569	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840103	XOGPAKAVGAHDFB-SAEPALGJSA-N	715.016	9.308	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccc(Br)cc3/C=N/NC(=O)c3ccc(NC(=O)Cc4ccccc4)cc3)sc2c1	408841270	FCYTYAONMHXQHZ-MWBNBJEGSA-N	660.977	7.790	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408842757	KNPQOTFQZNJHQO-HASSKWOGSA-N	679.227	9.438	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)c1	408847794	URJDAWIRKDSMEW-DPNNOFEESA-N	568.054	7.099	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408862438	JJVLFRSYNRRZJU-QXUDOOCXSA-N	609.535	6.366	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	408870866	VVWKAMMNUJRSBL-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1	408874702	FLNGTOVAKYQUEI-MFKUBSTISA-N	508.574	5.668	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c(OC)c1	408877494	RXDRVSIHDYXNMP-PCLIKHOPSA-N	501.586	6.083	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2OC)cc1	408881766	MOQNLNQFPSZXSL-KKMKTNMSSA-N	552.208	5.756	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408884121	SRWRFHQQXVLDFT-XKJRVUDJSA-N	649.778	5.913	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OC(=O)c1ccccc1	408895399	MRBKSOQVGLBQQH-LQKURTRISA-N	550.352	5.436	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)ccc1Br	408905585	ZNQGQELSXJTGRQ-BCHBDCPOSA-N	541.660	7.452	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2Br)cc1	408922929	HPOPMIYCNBHNCT-LFIBNONCSA-N	685.188	6.605	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1	408923789	KBMDORXFQLWZSR-FOWTUZBSSA-N	547.814	5.424	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OCc1ccc(F)cc1	408926872	YVZUIBXAYVDOTL-RQZCQDPDSA-N	608.689	7.446	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1	408944210	ISWZPENXNOZFPQ-NDEPHWFRSA-N	804.576	5.184	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)c(OC)c1	408947232	AWSABIBDYZGBCI-UIGQDENISA-N	699.986	5.719	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCCOc1ccc([C@H](C)CC)cc1	408969984	YFJWMOVUXSCRME-XBIXJXDHSA-N	533.068	6.933	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1C	408970448	HZYYHXUGQLMUIO-LAIGGLRLSA-N	517.457	5.242	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC	408972462	UBOYXXHHEBJFNI-DSSCVVGDSA-N	637.358	5.808	50	40	KKGB	
O=C(COc1ccccc1Cl)N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	408994654	IINRKWKLMJKSBA-HWIUFGAZSA-N	506.005	6.994	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2cccc(C)c2C)cc1	409028151	KNNXZJITGATWPF-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1	409131995	OAPRFXJTKMHHEX-JBASAIQMSA-N	526.102	6.012	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409156509	SRSGDGFTLDBGLW-IBBHUPRXSA-N	629.895	5.091	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC	409168672	OAUPNIPKCSYLGR-VULFUBBASA-N	524.843	5.467	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)cc2c1	409189658	MKDKHEUEQMKXDX-CPDSRJINSA-N	506.389	6.905	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409223478	FQPNMEZKEZAWQB-UHFFFAOYSA-N	576.392	5.958	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409225065	NFDKHRCZHXQKEX-CYKJHWJXSA-N	564.554	5.238	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409229570	RFELGQJVQUQDMP-GRSHGNNSSA-N	526.312	6.464	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1	409233246	DWZXTZBDNIIPQB-QLTNSANVSA-N	631.308	6.816	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1	409251111	OLPTWLQOIKJDOX-VHFSBPNMSA-N	709.435	7.588	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409251472	QKIMSQJRHDKRHE-MUXKCCDJSA-N	500.382	5.482	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409259721	DFNRCXPGIYTDDG-RGVLZGJSSA-N	571.983	6.938	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)ccc1OC	409319308	DHIXDCNXZXSQEH-VYYCAZPPSA-N	558.931	5.519	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)cc1OCC	409324905	WHGZOWQWPVDXQQ-AQLQTECXSA-N	659.202	8.049	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl	409359277	BDMRJDHHVRSNJD-DBFSUHOCSA-N	580.262	5.808	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409368568	CEFWSRJEQFVHGF-HQDYHJHZSA-N	610.563	7.052	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1	409373875	VUJIOHDDOLFADU-AMVVHIIESA-N	680.255	6.540	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409374299	LVWYDOZSHOOGNT-ODLFYWEKSA-N	578.410	5.875	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409382073	KCTPLPJVUAFDMK-GIJQJNRQSA-N	511.332	5.006	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409387686	PLCIPSKYMPRHOR-MUXKCCDJSA-N	560.832	5.291	50	40	KKGB	
COc1c(I)cc(/C=C(/C#N)c2cccc(F)c2)cc1I	409394010	UHMHKQDYUBIRJN-XGICHPGQSA-N	505.068	5.108	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409395041	JEHGCHSPZXRUPG-UHFFFAOYSA-N	669.732	8.136	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccco1	409395110	KAAHBIWKUQAYON-UHFFFAOYSA-N	767.599	8.194	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1Oc1ccc([N+](=O)[O-])cn1	409404992	RQIMQLSUNMPFBV-QMRORBIVSA-N	721.508	7.129	50	40	KKGB	
COc1cc(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC(C)C	1531386427	RIIZWMZCNDOLFH-ACXHZZMFSA-N	580.479	6.588	50	40	KKGB	
COc1ccc([C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@](=O)C(C)(C)C)cc1	1857795191	SDKABLKXTUENDF-RYWJPUDZSA-N	515.659	5.937	50	40	KKGB	
Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3cc(OC(=O)/C(C#N)=C/c4ccccc4)ccc3c2=O)c1	1777203	DABAKPADVZNHNG-CPNJWEJPSA-N	505.448	6.734	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@@H]2c1cc(Br)cs1	2187824	JLCIDDAXZUMPIC-LJQANCHMSA-N	556.835	7.124	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C(C)=O)cc3)NC3=C2C(=O)CCC3)cc1	2309573	OBCNYVLJWFISSU-AREMUKBSSA-N	501.608	5.089	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc(C(C)(C)C)c1O	3058615	RPWXQKLHVFHWIT-WCMJOSRZSA-N	515.481	7.637	50	40	KKGB	
N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	6060218	GBFBQYYOVYFHAY-QBFSEMIESA-N	534.475	6.351	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc(Cl)c(Cl)c1	9076039	PWSODJOAJLWSLO-MUFRIFMGSA-N	511.434	5.633	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c(O)c1	19826011	GQGGVAHRHROCSO-MWLSYYOVSA-N	522.074	5.532	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3cc(C)ccc3C)c2C)cc1	20243639	ATDWQILHPHTLMU-UVHMKAGCSA-N	514.489	5.866	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NC1CCCCC1	27021167	FTBSOSLVELZXQK-NCELDCMTSA-N	520.608	6.613	50	40	KKGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	59417036	GPMGRHJFVHVUJN-WKULSOCRSA-N	501.011	6.191	50	40	KKGB	
C[C@H](Br)CC(=O)NC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	95676361	XGNJPEGIXLDMAQ-VIFPVBQESA-N	604.229	8.141	50	40	KKGB	
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1	97946703	ZNLHVQHXFJFAPQ-FBMGVBCBSA-N	567.671	5.369	50	40	KKGB	
COc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)NNC(=O)c2cccs2)cc1	97979051	DTCSGPTWUPPMPT-CSRGTXSUSA-N	541.629	5.046	50	40	KKGB	
COc1ccc([C@@]2(C(F)(F)F)N=C(O)N(c3ccccc3)/C(=C(\C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)S2)cc1	97984760	UPJJNLNVJBPGLE-IOTBMVGNSA-N	633.656	5.887	50	40	KKGB	
Cc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)N(Cc4ccccc4Cl)c4ccccc43)C3=C2COC3=O)cc1Cl	98008059	KBXNOZFVBGCVQK-GDLZYMKVSA-N	543.410	5.111	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	100351396	XDPQGRGKAPOLKD-APTWKGOFSA-N	613.567	5.793	50	40	KKGB	
O=C(COc1ccccc1)N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21	100585679	RXWKSLFZVIUHSG-BVNFUTIRSA-N	583.486	5.355	50	40	KKGB	
N#C/C(=C\Nc1ccc(Br)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	100728627	CHJPZTWVZLTXKK-JLHYYAGUSA-N	529.213	6.418	50	40	KKGB	
N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1	100879043	DLYDCRYIVMJEGL-HKBOAZHASA-N	575.271	6.098	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)cc1OC	100952341	VIOBYUVXHGEIBE-UZWMFBFFSA-N	553.640	5.356	50	40	KKGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1	100958512	YUQMFWRUWBJUKW-UHFFFAOYSA-N	544.039	6.263	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1	102436764	DHMSOORZYPYZRN-AXVACJNXSA-N	536.661	5.672	50	40	KKGB	
CCCCCCCCNC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1	102989903	YSVLHVPKFPFMJS-HKWRFOASSA-N	532.468	6.403	50	40	KKGB	
Cc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c3ccccc3C2=O)cc1C	103004285	TYGMXPOYFZZDGR-MIXAMLLLSA-N	568.098	6.712	50	40	KKGB	
N#CN1C[C@@H](CCI)[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1	103612721	MGNDUMCWTJYJSU-SFYZADRCSA-N	582.142	5.969	50	40	KKGB	in-vitro
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	103888992	PZKMWHZESPVTEK-CHHVJCJISA-N	601.111	8.196	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	103890380	MBKPDJSDKDJLGQ-PXNMLYILSA-N	570.687	8.477	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc(OCc2ccc(Br)cc2)cc1	104766474	RUYLBVIZRSCBDY-KBVAKVRCSA-N	533.397	6.510	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccc(Cl)c(Cl)c1	104953740	GZBZYXVXMQEQKO-MHWRWJLKSA-N	522.215	7.433	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Cl)c1OCc1ccc(Cl)cc1Cl	112254467	GEPUDUUHDPTEMO-YPXUMCKCSA-N	558.643	6.466	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341840	YVMFDGBTTURNEA-LJQANCHMSA-N	912.485	14.722	50	40	KKGB	
CC1=C(C#N)c2nc3ccccc3n2[C@@H](O)/C1=C\Nc1ccc(-c2ccc(N/C=C3/C(C)=C(C#N)c4nc5ccccc5n4[C@@H]3O)cc2)cc1	150348136	SLFVAYAXFQWWPL-KLDSDULNSA-N	654.734	7.648	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	162476890	JUQXIPKWNGXITG-MUFRIFMGSA-N	651.377	5.439	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1OCC	408541551	ZWMYXFDSVZVPJX-USHMODERSA-N	503.481	6.913	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	408578925	BWZRZSQQFKRLQC-RIYZIHGNSA-N	573.679	7.250	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1	408580336	OOLDFQMDWIGMNF-RGVLZGJSSA-N	528.830	7.162	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC	408581571	IYDAZDRBWTULFV-RGVLZGJSSA-N	584.410	5.707	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408644444	REQWSCNSSDAJBV-NITZCXFCSA-N	519.400	5.138	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	408677087	PDXGFTXEOCIPRY-OYKKKHCWSA-N	507.226	5.141	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408728821	URZVHAIGXXTJQE-UHFFFAOYSA-N	621.115	5.718	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(I)cc1	408747391	NEZUBNKXOIVEMP-YVLHZVERSA-N	668.123	6.949	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1cccc2ccccc12	408748771	HGQTWGKEZZUQLM-FJEPWZHXSA-N	592.540	7.042	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1OCc1ccc(Br)cc1Br	408770989	BTBDYWQXMAZBKG-ZDLGFXPLSA-N	517.192	7.002	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c1	408772021	KRVOIXWYOVHGIX-YBEGLDIGSA-N	501.848	6.913	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408775565	IRHBPVSEELYFRK-RZNTYIFUSA-N	594.074	6.371	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408785317	WIAAALQTNZWFPO-OCKHKDLRSA-N	637.301	7.518	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408788216	JEKFWVSXXQXOAZ-CAOOACKPSA-N	733.127	7.114	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)cc1	408795905	MYLTUZMIRKITRT-CIAFOILYSA-N	645.291	6.664	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1c(C)ccc2ccccc12	408812928	XQBJKQZHMXFUOT-MFKUBSTISA-N	525.048	7.942	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)cc1	408813482	NHTLYPBPKLMTJI-YBFXNURJSA-N	588.829	6.477	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)O	408819973	SFKGCOHVTRGHNH-LJUMEUDFSA-N	576.447	5.841	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408825455	JYURCFNOQLQHDG-HZHRSRAPSA-N	591.864	7.945	50	40	KKGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1	408828630	NHNYGAZGAOIGFF-LCYFTJDESA-N	562.207	5.149	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1ccccc1	408841517	HNGYUVFUPJFMOU-FABQOPTDSA-N	643.077	7.097	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408842989	LANDFEUKOHITHP-PMCRKUBMSA-N	836.798	10.837	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccc2ccccc2c1	408856728	JZFDJQWCRZTELW-GTWSWNCMSA-N	555.678	7.293	50	40	KKGB	
COc1ccc(CCNC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408866358	GZFTWHQZBPWDAN-VHFSBPNMSA-N	687.602	5.112	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)ccc1OCc1ccccc1	408869841	RYEXRKBWUPWWNR-XBQJKBNESA-N	578.713	5.759	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	408870169	VQTAVFKIJAVVBX-MUFRIFMGSA-N	542.444	5.984	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cccc(C(F)(F)F)c2)cc1	408873260	RSCVSDSPQPXCBJ-FABQOPTDSA-N	626.613	5.847	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12	408879979	IDLNCQMYUSUVPH-HPNXWYHWSA-N	565.069	6.857	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1ccccc1	408885403	ZGTQHNFPRFOAIL-HYARGMPZSA-N	552.412	6.377	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OCc1ccccc1Cl	408892568	CPWIDRAIZWATKD-LICLKQGHSA-N	536.242	7.824	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(Cl)cc1Cl	408894464	IENFYLXTJIOYIW-HBHSWBPBSA-N	623.484	7.883	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	408950943	SRIPJVGCFLYXKK-GDLZYMKVSA-N	657.576	5.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408954243	YWIKITDZOPTIDO-HHHXNRCGSA-N	785.342	6.982	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccccc3Cl)ccc3ccccc23)c(OC)c1	408955856	PKYIYXATLZXVKP-XGBIICRQSA-N	657.123	5.801	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1cccc(F)c1	408985897	YRLTWOHFXOJPCQ-VXLYETTFSA-N	590.820	6.916	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)c1	408992623	SROPVJFRVDOWPD-IDLJWYJKSA-N	623.716	6.889	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	409012555	IVHKHNFILXCHPS-SAEJDHDTSA-N	599.515	5.459	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409034107	HEYMODCHWBNVNR-GLJXUZQSSA-N	610.541	8.679	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)cc1	409039323	CNYHOTOXYUAFIV-FYJGNVAPSA-N	592.287	7.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409069612	LYKAQSSPDQAIMW-LFIBNONCSA-N	514.390	6.100	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1cccc2ccccc12	409129836	KYCDRYGODLOOIE-AREMUKBSSA-N	591.449	5.762	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409142971	MHAPUJGQFUPIQA-ATZGPIRCSA-N	638.146	5.935	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)CNc5ccc(I)cc5)(c5ccccc54)[C@@H]3C2=O)cc1	409178028	KFPCMSXCCMITNV-FJSCFOPMSA-N	666.519	5.365	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Br)cc4)c(OCC)c3)cc2c1	409185210	UGJXZAGIWLPJBE-MNDYBZJGSA-N	663.306	6.940	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409199797	DMKUDSOPYAZRDI-WCMJOSRZSA-N	582.951	7.331	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OCC)c1OCc1cccc2ccccc12	409212349	PEERMWJMCCOLDT-HNSNBQBZSA-N	545.104	7.442	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1	409217351	BQNWNKMRWSNQKQ-LJUMEUDFSA-N	556.962	5.792	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3cccc(C(F)(F)F)c3)cc2)cc(OC)c1OC	409221888	BOSTXCIKVIRLFH-RODHXAHZSA-N	666.565	5.875	50	40	KKGB	
O=C(Oc1c(/C=N\NC(=O)c2cccc3ccccc23)cccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl	409224273	KPGUNOLLVLECBA-MUXKCCDJSA-N	508.317	6.038	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1OCC	409224523	MFUTYTCPAFFMGE-GXBUFBABSA-N	586.044	6.373	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1	409227049	XFBDMLYKVSDIPY-UHFFFAOYSA-N	511.965	5.884	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccccc1	409230571	FOFBOUAUWRRRKT-HBFFOVPNSA-N	703.145	7.566	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccccc4OCC(=O)Nc4ccccc4Cl)cc3)cs2)cc1	409254370	DNDJBSYKIKKBEI-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409254581	DWEIYCFXYOGPEK-WKIKZPBSSA-N	530.806	5.201	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409256394	OHDSXXUQNXHETL-FYJGNVAPSA-N	503.986	5.919	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)c1C	409262561	HWBOOEXDOPKHMZ-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)cc1	409265972	VMOVXOXXWDFAGF-UDWIEESQSA-N	627.333	6.790	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)cc1Cl	409266106	JPWSLJXMJVLUIH-NOPDUFPGSA-N	788.349	9.475	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)cc1C	409270441	GCNSQYKYKXXHEE-XDHOZWIPSA-N	538.829	6.283	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OC	409314144	DWRHWMONMNANEP-MBTHVWNTSA-N	658.898	5.282	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1OCC	409314462	GGXUHNCKLJOBRH-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c1	409373725	YMPGEMFAVFUBOX-LGJNPRDNSA-N	639.231	5.197	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccccc1C#N	409384482	CMBSSJSUNOYJSR-RWPZCVJISA-N	500.536	5.423	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409394688	DQXRAZIQLWPPLM-UHFFFAOYSA-N	532.556	6.289	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)cc1	409395630	QBUGOXYBTRAAKC-UHFFFAOYSA-N	636.933	8.696	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409396712	AJMLMAKZGLOQOG-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(Br)cc1	409401091	GJLAPVDKDOEUSR-VHFSBPNMSA-N	754.419	7.985	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c([N+](=O)[O-])c3)o2)cc1	409404734	QUJSNEQRSVWWKX-DLCNMLRHSA-N	644.040	7.079	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1OCc1ccc(Cl)cc1Cl	1529548519	IDPFDBHJMPNUOZ-LNZKYNOCSA-N	657.576	5.466	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/C(Cl)=C/c1ccccc1	2224575	GZTFTPGTJBKPBM-ZVGMXEKRSA-N	535.094	5.800	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)c1ccccc1	2672753	QVLFPCKWMMIUQD-KXKJEIKKSA-N	542.614	7.042	50	40	KKGB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)cc2)cc1	2783073	NPMXAVWHZKLQKN-XQNSMLJCSA-N	503.624	5.685	50	40	KKGB	
O=C(COc1ccc(F)cc1)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12	3174760	VIEPQUKKRLFCIN-WKULSOCRSA-N	507.359	5.850	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NC(C)(C)C)N1	12250160	LTFBYUAVJZUZDG-NRFANRHFSA-N	519.454	5.569	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	12250359	ZTRGBOOXXBCINJ-MHZLTWQESA-N	512.635	5.911	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	20082323	GAAUBKSZINJINC-VWLOTQADSA-N	508.043	5.754	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1F	20348446	FIJLQZGJFXCOOB-XMMPIXPASA-N	512.006	5.585	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	28217812	NLFPWKVOCKONHL-QESWDSMOSA-N	517.807	5.528	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1sc2cc(Cl)cc(Cl)c2c1Cl	97946985	NOBUNTIDCMXKIN-LUOAPIJWSA-N	531.877	7.540	50	40	KKGB	
CCCOc1ccc(/C(C)=N/NC(=O)c2ccc(CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	97981215	HDDHXXMFDFFXKQ-QCFMCPCVSA-N	608.135	6.813	50	40	KKGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br	98001178	LCIULOYFWNYYFN-VPUKRXIYSA-N	672.555	5.727	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)c3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	98048878	OQEUSRXPUWSITL-AREMUKBSSA-N	532.662	5.702	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	100062893	IOTRTVOEPKHYLC-VYYCAZPPSA-N	591.256	5.790	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1	100194613	SFOFCYALSLXKQK-NHFJDJAPSA-N	554.606	7.664	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2OCC)=C(C#N)[C@@H]1c1ccccc1Cl	101042269	NECSCLKGWFYKNP-MHZLTWQESA-N	574.102	6.507	50	40	KKGB	
CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1c(C[C@H](Br)CBr)cc2c(C)cc(=O)oc2c1C	101509870	PINXDZNNUYASCS-RBBKRZOGSA-N	623.338	6.111	50	40	KKGB	
COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(OC)c(COc2ccc([N+](=O)[O-])cc2)c1	102351197	YHMFJDHWZIKCFP-WQRHYEAKSA-N	535.578	5.700	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)S(=O)(=O)c1ccc(C)cc1	103832731	ZXBDSRFQXILWHD-OKCVXOCRSA-N	586.501	5.150	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103889853	LAPWCJHLOGKJQI-CHHVJCJISA-N	601.111	8.196	50	40	KKGB	
COc1ccc(/C=N\NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1CSc1nc2ccccc2o1	108574539	PMRBQJBBNGNZCL-NNBMFYQSSA-N	504.439	6.170	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	112263835	ZIAGAMPIWBBCNW-MZJWZYIUSA-N	526.387	5.255	50	40	KKGB	
CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341621	XRVCKYINKSJAQM-ZDUSSCGKSA-N	878.330	13.016	50	40	KKGB	
C[C@H](S[C@@H](C)C(=O)N/N=C/c1ccc(N(CCCl)CCCl)cc1)C(=O)N/N=C/c1ccc(N(CCCl)CCCl)cc1	150487171	KANYMTGRGORSOA-QTIBUZGNSA-N	662.515	5.365	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1	164651629	HDRSIRTXZGLCQC-ZSNJKBEMSA-N	675.954	8.062	50	40	KKGB	
CC1(C)Oc2ccc(P(c3ccccc3)c3ccccc3)c(-c3c(P(c4ccccc4)c4ccccc4)ccc4c3OC(C)(C)O4)c2O1	169656414	POSDZZNQKAOHDF-UHFFFAOYSA-N	666.694	7.885	50	40	KKGB	
C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	196098941	MDDUHVRJJAFRAU-HXPWTHHZSA-N	582.914	9.058	50	40	KKGB	
BrP1(Br)=NP(Br)(Br)=NP(Br)(Br)=N1	299872896	BISNZAMPUNENFV-UHFFFAOYSA-N	614.367	8.208	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1	408538519	ODCQURHRRNXOOZ-BRPDVVIDSA-N	532.640	7.406	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408553095	XCLTTYZWYCWMAE-KSEXSDGBSA-N	600.283	8.793	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)cc1	408654476	QPTAFFLRSYRZLC-GMQJPKHYSA-N	763.266	6.539	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2Br)cc1	408676155	GGSBFBNDPXIHMH-STBIYBPSSA-N	535.442	5.139	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408688715	WZGUJGVPYYATGV-IXFQNSDBSA-N	635.567	5.982	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)Cn1cnc2ccccc21	408691757	PAMSTKFKCHMQEJ-NVMNQCDNSA-N	602.124	7.510	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	408725147	HNRTWNDDGOMHJB-NDENLUEZSA-N	525.830	6.798	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1F	408746128	BRRHOTQBUBKNJK-YVLHZVERSA-N	560.217	6.484	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408787398	ZIRPGIXGMXLAHL-XGPUKPNHSA-N	540.715	6.770	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c(C)c1	408787659	DGFPESRIOSTNHA-QGMBQPNBSA-N	656.145	8.102	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1cccc(F)c1	408791685	AWEBMCVKYKSOID-MFKUBSTISA-N	557.021	7.581	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793520	FPYNMFQXTOWASG-XMHGGMMESA-N	544.361	6.742	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408794081	HRKQVKLDBBZORH-DJKKODMXSA-N	515.824	7.397	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(I)c2)cc1	408796810	PHWAHPVRGVGGAS-KGENOOAVSA-N	552.368	5.593	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccccc1C#N	408798827	XJPCWMQHDPPBMI-CIAFOILYSA-N	579.394	5.695	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1ccccc1F	408808982	GFQWEQDIQOISFC-LICLKQGHSA-N	530.191	6.475	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1	408812829	MKPJSZINAUKLLA-YBFXNURJSA-N	515.824	7.479	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccc(C)cc1	408817029	UXZDINQKMOZUBU-QRVIBDJDSA-N	582.438	5.809	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408819554	XRSOUZAQSIYDKR-HZHRSRAPSA-N	527.020	7.334	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408823785	FAWQBSMOACEYLX-YBFXNURJSA-N	590.301	7.678	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1cccc(Cl)c1	408824934	IHUVZZQJLXPYQB-PCLIKHOPSA-N	617.927	8.205	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OCc2c(C)ccc3ccccc23)c1	408825798	JLIWIIOWLFOOMZ-WPWMEQJKSA-N	623.536	9.167	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5ccc(F)cc5)c(Cl)c4)cc3)cs2)cc1	408839330	QSYMCHYNTTWWOL-QNVXDBMFSA-N	605.522	8.651	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(F)cc1	408845366	WFOWDHZTMCJEND-HBHSWBPBSA-N	651.480	7.478	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(F)c1	408845847	HRVBNIXNNMOLFO-DBFSUHOCSA-N	590.243	6.839	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1Cl	408846416	KKEWFGHXCJCXSY-QJOVZPHJSA-N	628.954	8.220	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccccc1Cl	408846568	TVXDYYOLWCGNOD-KVAAJVFYSA-N	603.531	8.212	50	40	KKGB	
COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408864493	WGZUQNJFIIHELN-RPPGKUMJSA-N	523.214	6.499	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1Cc1cccc(F)c1	408877180	UBNVDQVJEXQVQK-QGMBQPNBSA-N	560.794	6.537	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Br)c(Cl)c1	408877546	WUENUYSSLLDPKL-VXLYETTFSA-N	500.223	7.201	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408886908	MXMUYXLBWIEQGG-LICLKQGHSA-N	576.414	5.922	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	408886924	KBFLXJJVWCEXQZ-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c1OCc1ccccc1Cl	408888159	XKFNUFDYGHYCOW-LDADJPATSA-N	544.776	6.078	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(=O)c1cccc2ccccc12	408889094	DOOHOSXUHSAZSG-CPNJWEJPSA-N	527.920	6.175	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1	408893764	HKFNFSBRUWQVJZ-NBVRZTHBSA-N	524.314	5.065	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1ccc(Br)cc1	408904158	FQDIQVDDAAADKZ-QDTIIGTASA-N	640.170	7.416	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Cl)c(Cl)c1	408946405	MVJKBSDJOXVGJR-WJOKGBTCSA-N	667.615	6.186	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1	408947005	NIKAKKDUEQLPIU-MUUNZHRXSA-N	716.452	5.676	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(C)c2)c(Cl)c1	408947040	NNEPOGHKYCCTJK-NDEPHWFRSA-N	641.577	5.766	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408957593	VFAAYBOFVKLZJL-MGFSJYMISA-N	659.262	5.659	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1	408970084	AEBPHYFKYBIQFY-IHHOXCFDSA-N	590.507	6.218	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cccc(F)c1	408983587	MNPZOKCDDHFJFP-VXLYETTFSA-N	543.820	7.073	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409002553	OOBRWJFCIYCAIJ-JEPNHJGPSA-N	627.650	5.355	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C)c1ccccc1	409003009	QPPDZIXDKNWZMU-JEWPKMHUSA-N	558.420	5.026	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409006345	IUGNIULZAIZVMM-CHSHITCJSA-N	594.756	6.360	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008125	UFQCFRNJCFVTNI-QJOVZPHJSA-N	630.583	7.097	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1cc2cc(Br)cc(I)c2o1	409013633	NCACIPMRQCCVKC-XKJRVUDJSA-N	632.683	7.220	50	40	KKGB	
CC(C)(C)c1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc(C(C)(C)C)c1O	409013770	VHAUNRVMNKTYRM-YNFMAFFXSA-N	591.344	6.590	50	40	KKGB	
Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4)c4ccc(C)cc34)c2c1	409031399	AKIOSAKTDDTBJM-CLHYIUPASA-N	557.097	8.247	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(O)cc1	409044926	FHOWIMGYZLPMTN-VIZOYTHASA-N	597.090	7.349	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)c1	409045181	FOEYFEYJLOSBMN-LDADJPATSA-N	506.356	5.026	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409063791	ACHHMDQKUNIMCM-RCCKNPSSSA-N	523.010	5.699	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409072217	MPHRXUPTKPKXEY-PCLIKHOPSA-N	511.578	6.464	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409080655	IWROBQWEUDHYCG-NKHVPTTDSA-N	700.360	7.194	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409083971	UZRUZYCACYICKE-NTUHNPAUSA-N	622.613	7.019	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409088232	WHTQZWBTOYWOQC-LDADJPATSA-N	555.465	6.137	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	409113725	DYQFLAHPINQXBO-NUJZUDFISA-N	568.493	5.894	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409114493	HRXNNLTYRLKXNL-VTNSRFBWSA-N	602.927	6.780	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409147868	WGHIFQPZKMVBLI-DPNNOFEESA-N	641.146	5.128	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	409170931	YDUBICDNJQHTHE-VWJSQJICSA-N	713.356	5.892	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	409185098	SEVUBSLZVXYIME-YSYOEVFLSA-N	693.531	6.684	50	40	KKGB	
COc1cccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1OCc1ccc(C(=O)O)cc1	409186528	DHRURTYEKZUTNA-ZMFRSBBQSA-N	512.360	5.199	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)cc2c1	409186957	KDGHIXZGRRRXHG-FDVSRXAVSA-N	537.956	6.135	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	409203018	URUUOEQNHKKQAX-MFOYZWKCSA-N	504.167	7.307	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409226077	RWVAPCNVPWORQQ-UHFFFAOYSA-N	572.017	5.983	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409227739	VYQMUKZPSMYFKP-UHFFFAOYSA-N	621.285	6.447	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1cccc(C)c1	409235010	AMTUIJPFCRZMMS-VYYCAZPPSA-N	532.353	5.019	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)NCCCc1ccccc1	409240183	JYJRCTKPISJUEJ-XYGWBWBKSA-N	515.440	7.382	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)ccc1I	409244210	ZPAIMKUFMDMSQD-MZJWZYIUSA-N	527.337	5.206	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)c(C)c1	409250556	MXRYCDQYXDAOQR-KULFSUQXSA-N	644.584	8.259	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(OCC)c2)ccc1OCc1ccccc1	409254731	FOARKHQRWBXPFE-WBIBEUCMSA-N	680.983	7.260	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)c1	409260270	NNWUMIUYNXUSBF-UNOMPAQXSA-N	538.829	6.283	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)c1	409270339	PNICUCKXCBEHSL-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1OC	409317577	QJVRYUSFRJHNNF-MNDYBZJGSA-N	633.337	6.099	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccc(F)cc1	409321837	HMJWIFWJXJXTSP-GXBUFBABSA-N	542.607	6.545	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1OCC	409323495	PHMLSOAOBJEQSX-MWLSYYOVSA-N	501.410	6.524	50	40	KKGB	
COc1cc(/C=N\NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	409367644	CEXXCQHHWFOVCX-OHUYPAJKSA-N	656.986	6.031	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCc1ccccc1Cl	409379360	WJOZAIHQVWTAJC-GRSHGNNSSA-N	514.807	5.786	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(I)c1OCc1ccccc1Cl	409382457	MYUXQHCFKGFMSY-CCVNUDIWSA-N	569.871	5.295	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394651	DGDBJZYBLCVHOA-UHFFFAOYSA-N	676.181	9.194	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)cc1	409395152	KLDKJZGCZJZBME-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccccc1F	409402994	LPKYMSYCDZIJLO-UHFFFAOYSA-N	645.087	6.849	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2cccc(F)c2)cc1Br	1529546789	HQADSQLMRYMGRS-RZNGARSMSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	1529549022	RXKIMMWZZCCEFB-MYEPVYPOSA-N	650.588	5.881	50	40	KKGB	
CN([C@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)c1cccc2ccccc12)[S@](=O)C(C)(C)C	1857795056	JJQYEZQPZNFFOF-JNERXHHJSA-N	667.855	9.513	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	1874701	FVOQBZWALLJNPE-XAZZYMPDSA-N	556.635	5.896	50	40	KKGB	
CC(C)(C)c1ccc(-c2cc(C(=O)N/N=C/c3cn(Cc4ccccc4)c4ccccc34)c3ccccc3n2)cc1	2109516	NEIFTHVQVICQGW-SEBMTOOBSA-N	536.679	7.966	50	40	KKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2	2669780	WSCAHKWCTAODQT-JLHYYAGUSA-N	501.391	6.526	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nc3ccccc3c2=O)cc1	2696350	BCZFIEWNEDNTOZ-BIZUNTBRSA-N	534.641	5.516	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(I)o1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1	8384821	ZQKHBYNWPBMKLI-PVKZODSHSA-N	590.215	5.124	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccccc2)N1	8934474	NJUNVYBSKXXIBJ-AREMUKBSSA-N	500.023	6.291	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	9111560	AJFOSHDNIOOQNF-CCVNUDIWSA-N	500.898	5.127	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCCOc2ccccc2Cl)c1	13893140	JHXYZIROPWRETD-LDADJPATSA-N	501.797	6.959	50	40	KKGB	
COc1cc(OC)c(OC)cc1/C=N\NC(=O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21	33294577	BMWFKNNINHUIOP-MUXKCCDJSA-N	500.382	5.668	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1Br	59646396	HLXUZKRIFBTHTN-MPFDJKSNSA-N	537.483	5.053	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(F)cc1	97962649	GHXXHNBNPSAHJY-KULFSUQXSA-N	679.999	8.850	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965750	WHSGLNKNGZJKFK-AATKOCIRSA-N	610.917	7.481	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	100343788	MDQQJWBLSRMQNN-CAQPMQTCSA-N	611.120	5.119	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1	100989427	IBOJOJXKNCSZBK-IVYNLYIOSA-N	538.854	6.167	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1	102080906	DPYKVXWSRZPSMD-WTALZMIHSA-N	563.293	7.365	50	40	KKGB	
N#CC1=CN2[C@H](C(=O)c3ccccc3)[C@H](c3ccc(Br)cc3)[C@H](C(=C(C#N)C#N)c3ccccc3)[C@H]2C=C1	102416577	WPNWFDHBIAIXKW-JIBNBMRDSA-N	557.451	6.563	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	103889618	GPAHLHDIHLOYMA-IUXPMGMMSA-N	517.199	7.297	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc3ccccc3c2)N=C2CCCC(O)=C2[C@H]1c1ccc(Cl)cc1	104103169	QLGJJPCHHXYWNC-SANMLTNESA-N	500.023	7.134	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342159	PYZYVYJSLXQWJG-UWTATZPHSA-N	892.044	10.928	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNC(=O)CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S	150437068	KGKSDOFIMMMKHT-SWRBISBUSA-N	693.725	6.194	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	162477489	ZRWYSVDMPYPCFN-KPGMTVGESA-N	640.478	5.695	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)c2ccccc2)cc1	211056186	YBZXXMQHDCYARP-QUPMIFSKSA-N	507.656	5.141	50	40	KKGB	
CCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408530571	JTVGRMWOZKHZEX-LQNQUEJISA-N	519.070	7.458	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)ccc1OCc1ccccc1	408537191	COFGLTOFIXOFLK-NLRVBDNBSA-N	522.576	6.928	50	40	KKGB	
COc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)ccc1OCc1ccccc1	408538532	OKMQNUPABKWNFN-KOEQRZSOSA-N	525.004	7.052	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)c(I)c3)c2C)c(C#N)c1C	408547172	SUPPMFPMBAKCQU-KEBDBYFISA-N	597.478	6.144	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c(C(=O)OCC)c1C	408547486	XRMFGSQXUGIADJ-PXLXIMEGSA-N	517.603	5.708	50	40	KKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc21	408568123	HZQGELIGNBMSTK-OKCVXOCRSA-N	512.660	5.569	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N2C(=N1)SC(C#N)=C2N	408605272	LMGPVVYXRBBARV-FQEVSTJZSA-N	503.411	5.982	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)CC2=O)cc1	408608139	OOMAJJOSZZMYCD-SFHVURJKSA-N	544.435	5.476	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408609724	LFCSAEZJQNDXFF-STBIYBPSSA-N	509.990	5.195	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408659511	VWPGKEGJLQMGKZ-PSTXRTPPSA-N	726.076	6.662	50	40	KKGB	
CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)c(C)c2)CC1=O	408665334	OVDOSDUAAKCNNH-GKMGCJOJSA-N	660.403	5.505	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408676592	LDYLZEVMSKYQTF-UZWMFBFFSA-N	527.621	5.455	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408744292	KFSXKGQRZCCKTK-YVLHZVERSA-N	591.097	7.099	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408744344	KPKULNYTXSELJS-NDENLUEZSA-N	551.393	5.679	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)Nc1cccc(Cl)c1Cl	408758373	JGCMIPKMRUJQBL-XNTDXEJSSA-N	518.334	5.215	50	40	KKGB	
CCN(CC)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2Br)c(OC)c1	408778948	NJCDRIGNAKVIOJ-YVLHZVERSA-N	522.237	5.575	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1C	408792982	CMAVKHIYGKADEK-YDZHTSKRSA-N	501.413	7.888	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408793418	FJLDAVRGLRPKSQ-GIJQJNRQSA-N	552.337	5.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408794461	JGPBLKNGXCLDNV-VXLYETTFSA-N	559.833	6.957	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1C#N	408795904	NMOTUEWOSWAQNF-DJKKODMXSA-N	533.338	5.362	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408797822	TVZNIAJBDXHAGN-FRKPEAEDSA-N	513.293	5.934	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408798543	VTFCWAPBOWMKKS-VCHYOVAHSA-N	665.225	6.237	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Br)c1OCc1ccc(Br)cc1	408802632	ZPIYHDABJPEENZ-NJANSZDQSA-N	562.302	6.401	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408808093	DWDHFIKILIWTFI-HZHRSRAPSA-N	541.445	7.434	50	40	KKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1Br	408826069	BLYIQSWAPLWGHS-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc2ccccc2c1	408829136	XEBARCNTVSUWQR-BVMLUPFRSA-N	608.286	7.463	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408831119	PRGJJLHUISPPRA-JVWAILMASA-N	601.530	8.713	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br	408847763	OQKFOYUYTSNRGK-QDTIIGTASA-N	508.759	6.063	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408849463	YWMKVGZROLUUHM-KVAAJVFYSA-N	672.561	7.884	50	40	KKGB	
COC(=O)COc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408851183	JIOQWGVMTWRCOC-LJUMEUDFSA-N	623.447	5.382	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc2ccccc2c1	408852323	JNAMITRUZUYZQS-CAQPMQTCSA-N	539.429	7.420	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(I)cc1	408854917	KSXPNYKGJWZJEB-SGFZWYBVSA-N	695.601	8.527	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(Br)cc1OCc1ccc(F)cc1	408855559	GCUUANUDDMJJGE-KKMKTNMSSA-N	613.221	5.640	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cc2ccccc2o1	408859819	ZYNJYWNPJBSALR-PPDIBHTLSA-N	565.194	6.687	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408862427	JHWLWZJSNDTWMG-BIZUNTBRSA-N	622.541	5.691	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Br)c2)cc1	408865895	CMQVJYAMOOORFU-UDWIEESQSA-N	509.787	6.026	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccc(Cl)c(Cl)c1	408875911	MISZOZUUWUTVOI-QFDQHJFZSA-N	642.348	7.092	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408876736	QONBQLUEHINGLS-KULFSUQXSA-N	719.485	7.614	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)c([N+](=O)[O-])c1	408886929	KDLCFKCIAHJQTB-CIAFOILYSA-N	588.414	6.652	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2)cc1	408888822	BIEIOAADYAZGRQ-DEDYPNTBSA-N	540.255	6.953	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCc1ccc(Cl)cc1Cl	408892580	CDNOJOPFEYCULE-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1C	408923558	JNTVMUODRGBATA-GIJQJNRQSA-N	593.248	7.040	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c(OC)c1	408952924	LAUVZZQOTQCOKL-ILBQVMEMSA-N	893.300	6.510	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	408954155	YPVDPIYYDPAKFB-HHHXNRCGSA-N	753.446	6.062	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	408954159	YPVDPIYYDPAKFB-MHZLTWQESA-N	753.446	6.062	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408966381	LHSJVQGEFFOTBS-BTQGWNRHSA-N	520.289	5.260	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)NC2CCCCC2)cc(Br)c1OCCOc1cccc(OC)c1	408968689	BFLPCKNZBSKMRG-WPWMEQJKSA-N	534.451	5.280	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	408968898	CMARVUQXIYNGBR-OCSSWDANSA-N	578.518	5.522	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1Cl	408982310	GLHBJIACIFTXBW-MLPAPPSSSA-N	521.154	6.778	50	40	KKGB	
C=CCn1c(C)c(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c2ccccc21	409001068	GKLQPXGAVSENDG-LQYQJCSBSA-N	514.651	5.004	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409008163	UURWJZDZMRGPAA-UUYOSTAYSA-N	655.387	7.407	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)o2)cc1	409009843	ISAGIWQCSRUIIP-RPPGKUMJSA-N	607.198	6.001	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccc(OCc2ccccc2)cc1	409011674	IAAFGLDGBKECFP-FMFFXOCNSA-N	596.536	5.956	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccccc2OC)cc1	409025216	RWLBXQNORBCHKV-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)c1nc2ccccc2[nH]1	409049484	XCCBYLKJQCSFFN-CXUHLZMHSA-N	588.097	7.494	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1nc2ccccc2o1	409063850	DZETZXDIULXVJT-RQZCQDPDSA-N	554.194	6.694	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409065912	KZLQHXWDIXOGKL-OQLLNIDSSA-N	629.259	5.920	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409067052	NPAIGHNQPPIQGM-VCHYOVAHSA-N	545.311	6.291	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409113445	GATRPMREAIZPFJ-OPBLDSPXSA-N	649.169	5.341	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc2)cc1	409140772	INFXYDSVSTVSBK-TWKHWXDSSA-N	513.619	5.163	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br	409187758	BOMDQGKKWXRXEB-KKMKTNMSSA-N	547.634	6.080	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409201165	MDIUSHYHESFPFP-NVMNQCDNSA-N	652.182	6.145	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1	409218863	LPXYJODTIWJOIP-MTJSOVHGSA-N	540.357	6.550	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)cccc2[N+](=O)[O-])cc1	409219203	OALCSWSPCKVTQM-MNBJERMJSA-N	536.544	5.447	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccccc2)cc1	409223288	GTVNDNRBGGNPOA-FZPRHHONSA-N	576.487	5.849	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)NCCCc1ccccc1	409247264	LUHPDEUGAWKXGL-JCMHNJIXSA-N	540.376	5.665	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(C)cc5C)c(Br)c4)cc3)cs2)cc1	409253102	DRMVKGBPNIDADH-VHFSBPNMSA-N	668.617	8.023	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)c(C)c1	409265181	STBMUAWEZAUQIQ-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)ccc1OCc1ccccc1	409270336	PLKLZCLEFUNRDZ-FZKWRIDDSA-N	572.061	6.408	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3CC)NC(=O)[C@H]2C(=O)OC)cc1Cl	409310577	VVMFLFHUZMUNDS-YADHBBJMSA-N	576.502	5.373	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409310637	BRTBIIIFUJWUPF-MUXKCCDJSA-N	660.768	6.194	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)ccc1OCc1ccccc1	409310951	XMOJUQPJNNLDPR-DLCNMLRHSA-N	583.899	7.967	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc(C)cc1	409311644	GSNIUOLDSJGCPI-MZFJOGFUSA-N	510.590	5.934	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)ccc1OCc1ccccc1	409312280	FLAJQMBIWMDXHG-FZPRHHONSA-N	722.839	7.374	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC(=O)[C@H]2C(=O)OC)cc1Cl	409312659	GFENFYIDKICBNZ-PMACEKPBSA-N	602.418	5.521	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OCC	409324566	TVXFCBANSFVKNX-NTFVMDSBSA-N	551.448	5.713	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCc1ccccc1	409369138	DQNYKJGEEFXXKK-ODLFYWEKSA-N	546.202	6.705	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)Cc2ccccc2)cc1C	409371665	JILCNHZPIQYWPQ-GTWSWNCMSA-N	543.645	5.137	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409372035	QTDXHWLBPWUEGU-GRSHGNNSSA-N	522.355	5.756	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2c(Cl)cccc2Cl)Cc2ccc(Cl)cc2)c(C)c1	409372635	OAKNPMJGOKGFQZ-DBFSUHOCSA-N	552.911	5.913	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409382382	LHIYJGIVYBIVIC-CCVNUDIWSA-N	563.823	5.485	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409384487	CNDDJGYCSNQTHR-XKJRVUDJSA-N	623.312	7.620	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1O[C@H](C)CC	409387907	YFPMRYDTRPSERH-LFWZTCNZSA-N	520.405	5.912	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396126	BXNFYPQPANDWJL-UHFFFAOYSA-N	731.896	8.494	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397059	FSPYLBUIWYLDHS-UHFFFAOYSA-N	628.081	6.896	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409398626	UWYNUDXPKWGMEZ-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Br)cc1Br	409400252	CHIGSWPLDCNROX-UHFFFAOYSA-N	741.864	8.796	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)o2)cc1	409404608	QKRRYPNGWLHFOT-AEUUOICLSA-N	572.036	7.402	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3Oc3ccc([N+](=O)[O-])cn3)o2)cc1	409405348	SXZANRDJRZTWJT-KYHGBAKBSA-N	551.559	6.126	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OC(C)(C)C)o2)cc1	409410003	SJZOAXMXCVIEMM-ZMGVVAQMSA-N	598.925	7.623	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1	1279184	OLCMQAZZKMJGNC-MUUNZHRXSA-N	559.091	6.364	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1OCc1ccccc1	1783666	QXPFNALWZILRPD-SNTQIRKXSA-N	595.519	5.398	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl	1897172	GZJZYGQVKMWNDX-KVSWJAHQSA-N	551.286	6.790	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1cccc(Cl)c1Cl	6177837	KYHNNTBDSLVCTQ-ATZGPIRCSA-N	531.487	6.723	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H](C3=O)[C@@H]3C[C@H]4[C@@H](Br)[C@H]3Br)cc2)cc1	8449821	KTXWRLRHUGGPSV-YUNYCSSDSA-N	505.206	5.070	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1	8683387	HFYFOPHUNONTAS-XMMPIXPASA-N	533.679	5.406	50	40	KKGB	aggregator
CC(C)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1	20059632	PYNWUSUMZMXSCE-JFLMPSFJSA-N	504.439	5.462	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1cccs1	20348520	IPPOZPQANKDENW-OAQYLSRUSA-N	519.570	5.564	50	40	KKGB	
CCCCc1ccc(NC(=O)C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1	29492252	QAFOUECPZNAUKP-KLPXMQJKSA-N	610.714	5.629	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(Cl)c1	59245285	VGJDZCIKJUTMHR-YBFXNURJSA-N	500.904	6.882	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	59297400	RPUURVNTMDFXFD-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	59473232	GUVXORDHFKNMOS-HVAQTUQNSA-N	503.451	6.602	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	59485095	VVQVQHSNXDSMJO-ODLFYWEKSA-N	512.303	5.851	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(OC2CSC2)c1	59882109	OGEOUINPGPQLDK-VVEOGCPPSA-N	584.041	5.199	50	40	KKGB	
FC(F)(F)c1cc(P(c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1	97949931	VIPPQQCSYGYLMB-UHFFFAOYSA-N	534.280	7.520	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CC(C)(C)C3)cc1	98006068	SKOKEWPMVFNRBR-DEOSSOPVSA-N	611.715	7.189	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21	98006159	GSXLUMUFGJVQPR-MUUNZHRXSA-N	575.119	5.531	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1	98006218	MOZOJQDNEIXAIU-LJQANCHMSA-N	545.637	6.215	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1	100033234	AYMAMTNCFPFQEF-QILCKVHPSA-N	538.304	6.054	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1C	100127088	HJWMXEXTPHWTJA-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)c1	100129696	RQKXUCYYQCLEFW-UCMJSZAQSA-N	621.601	5.857	50	40	KKGB	
Cc1c(/N=C/c2ccccc2OP(=O)(c2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C	100271064	XLTSPTKYFFMJBZ-DFKUXCBWSA-N	507.530	5.543	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2ccc(F)cc2)cc1	100351041	OBDNQYQKFXZDOH-NJZRLIGZSA-N	531.609	5.384	50	40	KKGB	
COc1cc(/N=N/c2ccc(Br)cc2)cc(/C=N/NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c1O	101480081	GGXGPDCVTFSQMH-VFNLDZJFSA-N	562.764	5.669	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	101555333	TZBATZATDOZWFX-NDEPHWFRSA-N	578.521	7.113	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccc(Cl)cc1	102935040	QANVFLJWGXDEQF-LZYBPNLTSA-N	605.772	5.692	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528631	UVOURMHJFSFSRW-IBGZPJMESA-N	562.436	10.275	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	103843554	GJACSOLOUIZVPH-NDENLUEZSA-N	591.437	5.361	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103889665	FUCPFRBKZNRMCN-YBEGLDIGSA-N	583.640	7.376	50	40	KKGB	
CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341419	GVGXYDOSBRCEMM-JTQLQIEISA-N	636.221	9.305	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	150385733	QTTDNBOFHMYYCT-OCSSWDANSA-N	644.389	5.965	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc(I)cc1	150427928	OKQSFBZGPXHJKU-CCVNUDIWSA-N	672.155	6.487	50	40	KKGB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S	150436318	FWQSFSKFNXBZPY-YHARCJFQSA-N	679.698	5.804	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408530925	NARBMFCUFLPOAX-XODNFHPESA-N	552.252	6.263	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1	408534931	WVPLMYXEUUDUMI-VVEOGCPPSA-N	536.348	5.618	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)cc2OCC)ccc1OCc1ccccc1	408539952	KWGCRAYASGTDEZ-UUKRNIFRSA-N	695.212	8.647	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1cccc2ccccc12	408548009	BSOQEALCCMPWIL-DICXZTSXSA-N	567.426	8.249	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551675	OZHSFEATHINXGH-RQZCQDPDSA-N	597.878	6.947	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCc1cccc2ccccc12	408552037	GXFRPJLHBGRIKE-OVVQPSECSA-N	573.718	7.904	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl	408566728	INUCBRMFZJFTEL-CPDSRJINSA-N	558.259	7.261	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccccc1	408570476	VQTXIJPXXDUKTQ-ZDLGFXPLSA-N	539.348	6.348	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408591588	UZPHRULLFQFNQG-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408637536	AFYJBXHJIBJTGI-TYZHSBRISA-N	714.065	6.806	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408639835	GIUTXKKYMKMQAI-CZTZKLFOSA-N	517.384	5.058	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408644359	RAHDLRMFPQDGTQ-SEXKYXSUSA-N	647.147	5.164	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1	408654483	QPTAFFLRSYRZLC-SALHHSCVSA-N	763.266	6.539	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1ccc(N2CCCC2)cc1	408676507	JOXBDMQIBNLAOD-LQKURTRISA-N	512.835	6.046	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408758919	UTXMIDQZXAXTQJ-UUYOSTAYSA-N	562.261	7.489	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	408782416	IFSZWONYNQXRAZ-CVKSISIWSA-N	555.281	5.492	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)ccc1I	408785103	YFEZSYYZGVNMLK-YVLHZVERSA-N	550.227	6.860	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(OCC)c2)cc1	408788301	CDBJHUGOPUBGLB-YDZHTSKRSA-N	574.431	6.021	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408788758	FZEGVIHMCJNMIT-YBFXNURJSA-N	694.263	5.816	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1cccc(F)c1	408791305	VXFRCQIJJPRBCU-VCHYOVAHSA-N	576.793	6.607	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408792530	ARCQUBSHAFNTHD-GIJQJNRQSA-N	541.785	5.934	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Br)c2)c1C	408802025	YAJHZNRDLMJTJI-BUVRLJJBSA-N	525.446	7.652	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1	408808700	FFFNSWOOUJKPDL-GRSHGNNSSA-N	637.699	6.518	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c1Cl	408813560	DDWYGBQLAALJNH-JQAMDZJQSA-N	620.081	6.501	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408814464	VPJHCIKBRUACDX-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(Cl)cc1	408817145	VELRECVQLHHZQN-LICLKQGHSA-N	562.766	6.217	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1	408827674	FVPXNVMCFYZLNY-BKATUZMVSA-N	681.214	6.503	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408837481	GMNHUNKDWOIZTL-MTDXEUNCSA-N	514.047	5.173	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1	408844183	OUKMCSOTVOLFHM-MUFRIFMGSA-N	562.376	5.286	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408844632	OZMZMUHTLBPCCO-VWJSQJICSA-N	704.974	6.916	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408851326	XVFJKHOUKMTBTP-KDHRXPGNSA-N	644.569	8.720	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc2c(c1)OCO2	408853246	MPZCYDWBDNLDFJ-ULPWCQAASA-N	571.811	6.319	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(F)cc1	408857553	OGNAYOYBNXSNQD-UVHMKAGCSA-N	520.786	6.375	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408858138	MPLHMYKLJBRDKN-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	408861411	RUCWPDSQEXDVLL-JGRMKTMXSA-N	584.698	5.300	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408862266	DWSVUQXUBYRSMY-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2	408864765	ZCXGATHWKKTMGA-OKCVXOCRSA-N	538.456	5.591	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408873166	NXPUUHWNLHUGBH-JWHWKPFMSA-N	575.690	6.425	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Br)cc3)o2)cc1	408875227	HRMOPVKNIPYKSO-ACXHZZMFSA-N	643.947	5.484	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1cccc(F)c1	408881972	OMHXWGQTOZLHRM-PNQUVVCRSA-N	591.448	5.925	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1	408889284	BKNRDCKLTHGUAR-SFQUDFHCSA-N	526.184	5.976	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2Cl)cc1	408889696	FVQPVOJMRCWWCU-OQLLNIDSSA-N	556.254	6.922	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OC(=O)c1ccccc1	408897738	SUFKTPBKNFGLTH-ZCTHSVRISA-N	559.416	5.063	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904525	KVSMBRJVIHLNGA-BCHBDCPOSA-N	685.187	6.032	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924189	LXTJWROCNGHIRR-GZTJUZNOSA-N	604.866	5.383	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408947405	CKIDEOKJBGHJHY-NDENLUEZSA-N	569.286	7.082	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408960171	CYHRRIYZVSZKPE-UVHMKAGCSA-N	583.351	5.753	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c(F)c1	408967236	PKGXVKJSWUBUTN-LUOAPIJWSA-N	670.176	5.158	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408968664	AUBGSYIQQNBCOH-XQGPMABTSA-N	781.302	7.941	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408970425	HQAOHQWFGMSVNA-MBQZLDDGSA-N	616.929	5.703	50	40	KKGB	
COc1cc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OCc4ccccc4)c(OC)c2)C=3C#N)ccc1OCc1ccccc1	408974545	BFZVMPFOJIHVJL-WPKSMHDGSA-N	654.748	5.036	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	409012287	QCDVKLCIJXTDKE-WQPSUOTESA-N	734.161	7.220	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccccc2)cc1	409028203	IWPUGOOFSSIFMB-PPOKSSTKSA-N	589.117	5.890	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409031272	AGNPKCUGZGXMCC-ATZGPIRCSA-N	601.501	7.798	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409084870	YBXXVPSCTAZFIZ-PNQUVVCRSA-N	565.295	6.523	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	409115690	NLAJUFWZGUGGDS-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1Cl	409144876	LNRAVBAZHZLOIA-XKJRVUDJSA-N	560.832	5.371	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)S(=O)(=O)c2ccc(Br)cc2)cc1	409149334	BWGURKMPHSFNSU-BIZUNTBRSA-N	606.542	5.678	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C	409163265	ONOVPJLSTVQFML-KNBZMSCYSA-N	689.721	5.675	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccc(Br)cc1	409217745	AYTSDMAGONAYQN-UHFFFAOYSA-N	650.913	6.745	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	409226656	QLHXHFMXEBCIKP-MHWRWJLKSA-N	500.769	6.210	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2Br)cc1	409239407	MNIFOSVMTNVSLF-WKIKZPBSSA-N	534.223	5.931	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409258344	WNAMYPTUBKSXEW-LPYMAVHISA-N	609.464	6.178	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)c1	409266786	LCDIHUAZUYSDHY-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409316588	YTWPOYRYBZLJFF-YUMHPJSZSA-N	536.497	5.031	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409316636	LSHPNCCXGWXVFS-FTCYSYDXSA-N	661.225	7.102	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1OC	409317197	SKPPRYVSCXZOER-ZMFRSBBQSA-N	503.780	5.463	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(Br)cc1	409317374	PZTISEBYDKSHNW-MUXKCCDJSA-N	592.284	5.970	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409372092	RSERAFRKEIIPTC-UUYOSTAYSA-N	509.389	7.672	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(OC)c1	409373235	PCAVOQWRKWUYOF-FJEPWZHXSA-N	537.385	6.102	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1ccc(C)cc1	409373852	VFBRLHROIBIZTC-KBVAKVRCSA-N	594.449	6.503	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)Sc1nc2ccccc2s1	409384075	ZMAZHHWTRMTIII-YBFXNURJSA-N	504.434	7.166	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)[nH]c12	409395849	SKNNZTHJEXOEKJ-UHFFFAOYSA-N	659.378	8.214	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396113	BEBOOMUCZRIQJS-UHFFFAOYSA-N	650.451	7.998	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)cc1	409396153	WUGWSGBECHQVEM-UHFFFAOYSA-N	726.219	8.114	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397641	MFQFRFBDWPLYPI-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccccc1C#N	409403067	LTNKPDLJZCEXSF-CLHYIUPASA-N	633.661	6.788	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)OCC	409403627	NPXZLKZDFIDJEB-FZKWRIDDSA-N	585.657	5.709	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(I)c1OCc1cccc(Cl)c1	661019	PHMDPAXGYVXTNX-HXUWFJFHSA-N	562.795	5.172	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1cccs1	1436650	XAFZMWIYFMFGPV-SGWCAAJKSA-N	503.649	5.606	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)n2C2CCCCC2)cc1	2222988	FFOXABMHPSCOLH-MZJWZYIUSA-N	502.471	6.308	50	40	KKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1OC	2553712	SXCLJZJOGZKBJN-CIAFOILYSA-N	510.059	6.819	50	40	KKGB	
Cc1c(C)c2c(c(C)c1NC(=O)CI)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2	5440597	KDVXZSHPUSXFLF-WDCWYOMISA-N	597.666	9.508	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(F)c2)N1	6444287	GBTPCTHLIVIKBM-RUZDIDTESA-N	518.639	5.902	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(Br)cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	8426390	VPRSOPJUGOXLRT-UKWJTHFESA-N	654.413	9.280	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)cc1COc1ccc(C)cc1[N+](=O)[O-]	8456103	JGJWTBQUMOLBKK-GDLZYMKVSA-N	604.585	6.814	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccnc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9065088	LQYUNKLOGZHLQC-FSGOGVSDSA-N	514.655	5.268	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(F)cc3)=C(C)N2)c1	9075529	GLAJMMMLYKBRJT-RUZDIDTESA-N	518.570	5.134	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)ccc1OCc1ccc(C)cc1	9375159	LEPANRKLXUZSAF-KBVAKVRCSA-N	506.562	5.595	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)c2C)cc1	28217242	XPXAEFNPUWJKFW-QCFMCPCVSA-N	518.705	6.621	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc([C@@H](C)CC)cc2)ccc1OC(=O)c1ccccc1Cl	30822042	YUYXQMQXPAKIHM-IBXYZLMUSA-N	509.002	6.001	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccco1	58980133	TUIJYJPTGZXUEI-WKULSOCRSA-N	508.361	6.182	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1Cl	59485176	SEJLXTSJFZTQAV-UNOMPAQXSA-N	511.803	6.626	50	40	KKGB	
N#Cc1ccc([C@@H](Cl)[C@@H](Cl)c2ccc([C@@H](Cl)[C@H](Cl)c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	68563528	SPXGECHQSXUQAE-UEQSERJNSA-N	564.212	7.766	50	40	KKGB	
CC[C@H](C(=O)c1ccc(Br)cc1)[C@@H]1[C@H](C(=O)NN=C2c3ccccc3-c3ccccc32)C(=O)OC1(C)C	98008024	QQYBXONNHLASCK-QTLGCAHFSA-N	559.460	5.775	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(Cl)cc3)=C(C#N)[C@H]2c2ccccc2)cc1	98048552	FTSMKMLJLIFWLF-MUUNZHRXSA-N	587.101	6.223	50	40	KKGB	
CCCCCCCCCSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	98048868	BBVOXTXMSWAOJW-MUUNZHRXSA-N	503.712	7.514	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1Cl	100119440	CJFXZBSZERZAEW-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccc(Br)cc1	100134075	WVSCIAPOWIXFCZ-CPNJWEJPSA-N	545.355	6.991	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)Cc2ccccc2)cc1	100350364	MAEMUWSJIDOKBW-MZFJOGFUSA-N	558.704	5.061	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1Cl	100393819	LDAXAVDVVRQJRJ-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3c(F)cccc3Cl)nc3sc4c(c3c2=O)CCCC4)cc1	100852475	WOBTVHWDROIJNN-DBFSUHOCSA-N	541.073	5.669	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccc(Br)cc1	100858709	MMAXXFLUPJMEQP-YUMHPJSZSA-N	585.325	6.092	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccc(Cl)cc1Cl	103754422	JDVLGEMSUYBPHN-ALQBTCKLSA-N	598.515	7.826	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	103899739	LMNMJHOMSQQHMN-WKULSOCRSA-N	564.491	5.196	50	40	KKGB	
CCCCCCCC[C@@H](Br)[C@H](Br)CCCCCCCC(=O)N(CCCC)CCCC	104109943	XAYLSPSUENQNBV-JWQCQUIFSA-N	553.508	9.424	50	40	KKGB	
c1ccc([PH](c2ccccc2)(c2ccccc2)c2ccc([PH](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1	104146601	UNSVRWHIWCIQAU-UHFFFAOYSA-N	602.698	6.390	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	164730359	PPRXJFDLDJFYRL-NTUHNPAUSA-N	655.188	6.761	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795399	XVBHZKDYILCHIB-OKILXGFUSA-N	786.208	10.941	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795417	VTMMDMXVPZHRTC-GASCZTMLSA-N	900.249	12.601	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c(C)c1	216041387	FOVVMCQEKUMLOI-WKIKZPBSSA-N	669.257	5.693	50	40	KKGB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)c5ccc(N)cc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C	263596552	FTXMPGMBARZGMX-XSMCDQCSSA-N	858.942	5.100	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	408534983	XBAVRSQIXBQIKT-KVSWJAHQSA-N	659.693	5.999	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)cc1	408540869	WPNDKPBVKWELPM-QHDYCIAZSA-N	552.671	6.968	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1	408552033	GWXPZYNDHROLAS-OQLLNIDSSA-N	518.759	6.349	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408602242	COLRTKDLTVTYFJ-INIZCTEOSA-N	518.372	5.216	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(CC)cccc2CC)cc(Cl)c1OCc1ccc(Cl)cc1	408607414	CVAWIYQPLNDNEO-WCMJOSRZSA-N	542.463	6.185	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1Br	408608178	VHPFOZIHJLMJLP-XDHOZWIPSA-N	531.410	6.033	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1	408711897	PPLANGFZEUDUFW-MUFRIFMGSA-N	545.861	6.172	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCc4ccc(Br)cc4)cc3)nn2-c2ccc(C)cc2)cc1	408724415	JXTMNQRHMKLBPS-QXUDOOCXSA-N	579.498	7.262	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1-c1cccc2ccccc12	408727438	WYLURTQWRWOZBE-GOJREDGKSA-N	536.635	7.344	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408751885	DKNKMROZFRBDTA-KKMKTNMSSA-N	545.473	5.863	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408753146	IDAGBDKRSSIGPM-MOSHPQCFSA-N	555.450	5.778	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1Cl	408767891	QIIKJYPVWFTCRW-BWAHOGKJSA-N	532.471	6.557	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(F)cc1	408773214	HJOHMKCDHFGEDT-WQRHYEAKSA-N	560.338	6.093	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408792300	AHWHAVBHKSHMJA-LZYBPNLTSA-N	719.542	7.436	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(C)c(C)c1	408804491	XWYDWNSEGZAPEM-SSDVNMTOSA-N	600.884	7.393	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1	408815950	RYKXRZTZWUIDAX-UDWIEESQSA-N	539.813	6.404	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408829219	OTDGOZWHTVPUOO-JRZNSJKLSA-N	798.181	6.779	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408829345	NQMXOFOQKBTZRS-BBUXEPKYSA-N	739.703	6.627	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408834835	VVCYRCMUNKMABW-XSFVSMFZSA-N	523.814	6.792	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408835646	XTKVCRXQQNVELR-JBASAIQMSA-N	609.125	9.659	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c(OC)cc1Cl	408836669	UDYIGRZWZDIASF-CIAFOILYSA-N	577.862	7.398	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5ccccc5C#N)c(I)c4)cc3)cs2)cc1	408842355	JEJLHKOVOSVSAH-KULFSUQXSA-N	795.444	8.286	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1)c1ccccc1	408862151	CWIQNVFBUHFILR-BIZUNTBRSA-N	591.089	5.088	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1Cc1cccc(F)c1	408874981	GUUNZMTYDHKKRX-SRZZPIQSSA-N	554.403	6.582	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1Cc1ccccc1Br	408879993	ICESHSUYUFSYKM-DEDYPNTBSA-N	540.255	6.747	50	40	KKGB	
C=CCn1c(C)c(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc21	408884633	VDBZMYHXCMSQCA-KKMKTNMSSA-N	530.437	5.647	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OC(=O)c1cccc2ccccc12	408885992	CIYZWSWVBWJXIY-WOJGMQOQSA-N	562.365	6.828	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408890682	XOHFYDVYMQJZPS-VCHYOVAHSA-N	694.174	7.714	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OCc1ccccc1Cl	408891164	MLAIDHGCBUGLJQ-RQZCQDPDSA-N	625.144	7.960	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)c1ccccc1-n1cccc1	408891280	OALKEHGCFWBHOV-JVWAILMASA-N	603.292	5.534	50	40	KKGB	
O=C(Cn1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21)Nc1ccc(Cl)cc1	408904000	CDPMZEFSBGTRPS-QDTIIGTASA-N	515.913	5.352	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccccc1F	408924145	LNSYJRFWCCHTJN-VXLYETTFSA-N	554.372	6.328	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc(C)c2)c(Br)c1	408942671	GNEYHVGMPYGTIR-LJAQVGFWSA-N	651.583	5.222	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	408944653	JFQPQBQQSPBJJL-MHZLTWQESA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)c1	408949547	FQPSPZXMKRGWMJ-LSYYGSJISA-N	797.430	5.914	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)cc1	408950698	UDPKWNBBAJCDHF-GTWSWNCMSA-N	523.434	6.770	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3F)c(OCC)c2)c(OC)c1	408958367	YCXFXNBSHYNOPI-OQMZEJBMSA-N	760.557	5.137	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408961143	AOHKVURTGLTNNA-VVEOGCPPSA-N	520.891	5.799	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1	408969457	NUGSBDMANSGFDN-BBDLJIIGSA-N	627.572	6.950	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1	408972743	WFHINQNQYOTABT-NPFCOTEFSA-N	611.545	6.892	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1	408995671	DDFGKVFNLZJUBD-VTNSRFBWSA-N	590.861	6.646	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1cccc2ccccc12	409011834	IAWSWHHSQAUPCZ-UXHLAJHPSA-N	540.472	5.530	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)cc2Br)cc1	409019632	VGMCUUFNNRXVPN-FXMZOFOKSA-N	606.654	6.652	50	40	KKGB	
O=C(N/N=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1cc2cc(Cl)ccc2o1	409022131	FRUGCMUKFKFFAC-AQLQTECXSA-N	523.803	7.889	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1ccccc1Cl	409027020	QLWCDOVTTXDQOU-LICLKQGHSA-N	546.646	6.990	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)ccc1OCc1ccc(Cl)cc1	409186190	YKVHIDXUHOGKIB-RQXXSLPSSA-N	596.171	7.536	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccc(C)cc1	409186271	ZTCHVQZPWPLBCG-VTNSRFBWSA-N	643.991	6.173	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409210387	KWAVIDOSZAYTHT-NDENLUEZSA-N	536.382	6.146	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409227953	XZKDQFBUSVFRKU-NEXQTNRGSA-N	609.551	5.147	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409246742	AVOGASUVELBHLL-BRLDDBHUSA-N	552.400	5.399	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)cc1C	409248384	FZRUFQIVJBXNMF-NHDPSOOVSA-N	611.334	7.008	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2)c1	409255994	NBSSHAURHKQHSH-MWBNBJEGSA-N	610.139	7.605	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	409267794	PAVPMSHPKWEVIQ-FZKWRIDDSA-N	616.512	6.517	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCc1ccc(Br)cc1	409315144	ILMCALRIGREKEP-HQDYHJHZSA-N	623.931	7.432	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1	409320193	PLUVKYPSIQRNGR-HQDYHJHZSA-N	579.531	7.148	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	409324056	RSEISGBDIQJJPB-CAQPMQTCSA-N	544.007	5.709	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409361188	AFIWFJPCCIJASQ-QMRORBIVSA-N	674.552	7.245	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl)Nc1ccc(F)cc1	409363238	KMNODYLOVZSFER-ZRGSRPPYSA-N	504.743	5.023	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1	409369859	GNDURNARVNWEIP-JAIQZWGSSA-N	575.834	6.018	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1ccccc1F	409372177	TUYZNTSMADOOHS-BOPFTXTBSA-N	534.166	6.836	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(C(=O)O)cc1	409386168	OPGHGGKUPANDEJ-XODNFHPESA-N	645.431	5.854	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409389796	AKMPAUFQBFJEEZ-IUXPMGMMSA-N	573.274	7.683	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396400	PFLVNJVTVDAMHR-UHFFFAOYSA-N	711.396	8.303	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3ccccc3Cl)o2)cc1	409405280	SOIWEJAIJDEEAE-QJOVZPHJSA-N	597.115	7.328	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409406873	XUZXSQRGEFZHJX-MWLSYYOVSA-N	583.426	6.033	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	1529545956	CCIMEEKXIZSCTJ-VUSQDURTSA-N	785.342	6.982	50	40	KKGB	
CN([C@@H](c1ccc(C(C)(C)C)cc1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)[S@](=O)C(C)(C)C	1857794960	ACQAWZGNHSXJLA-HKFUJSAMSA-N	673.903	9.657	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)NC3=C2C(=O)CCC3)ccc1O	2204181	GCYWLXCBPLJGLS-QHCPKHFHSA-N	529.540	5.221	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1	3180876	KPPTYDHQPHABOQ-PVAUPGOGSA-N	545.042	6.619	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2)ccc1OC(C)C	3433051	RVLBRPWVSIFKQE-OCSSWDANSA-N	502.546	5.672	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C	4217280	SPJCRMJCFSJKDE-ZWBUGVOYSA-N	644.812	10.466	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1ccccc1	8812921	UZYCJBGQOKICKE-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	12250173	NVBXCJBTNMXLBE-HHHXNRCGSA-N	526.662	6.220	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	14361450	HLAMYPODVHXWJG-LTRWDCBBSA-N	515.532	5.333	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1	16575757	WZKJSXQVVMHEEE-UXHLAJHPSA-N	507.700	5.194	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1cccnc1	33713566	ONHALLVLVMPTTN-YSMPRRRNSA-N	517.221	5.648	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1ccc(Br)cc1	35262888	KNDUBYLBPFNDIL-ATVHPVEESA-N	502.384	6.717	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H](N[C@@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)C(F)(F)F	59100889	MSZYQWCTAUZISV-ZWXJPIIXSA-N	589.534	7.191	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@]4(Br)C[C@@H](OC(=O)C[C@@H](C)CC)CC[C@]4(C)[C@H]3CC[C@]12C	70692317	VKBCMZKYIQGGGT-QOIIVJAYSA-N	644.617	10.635	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(N)=C(C#N)[C@@H]2c1ccsc1	98006096	WWUNRVLCPZEZRF-FQEVSTJZSA-N	573.691	6.852	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1	98006213	LMHHOROAVJBCGF-NRFANRHFSA-N	584.605	6.062	50	40	KKGB	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3sc(Cl)cc3Cl)C3=C2CC(C)(C)CC3=O)s1	98007263	VMHQWKHOLXTJOT-HNNXBMFYSA-N	526.540	6.348	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C(C)N1	98048722	NBVUJAKCAATPMX-NDEPHWFRSA-N	588.085	5.938	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1Cl	100226580	ZIEVZOGRCDZGTE-NDENLUEZSA-N	572.830	6.776	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292900	ZHCGCPKLRAEKPA-KVAAJVFYSA-N	619.065	6.121	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)Cc2ccccc2)cc1	100350274	MHGQTGHWJFWVGP-KYHGBAKBSA-N	599.540	5.751	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccco2)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	102808722	WKSYQLUATSIDAV-PMERELPUSA-N	564.642	6.851	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccc(Br)cc1	104953549	CHFOYSXAPNNNMI-GZTJUZNOSA-N	532.221	6.889	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCc1ccccc1Cl	106352927	PXRYJDXZXSRLMA-OKCVXOCRSA-N	584.841	6.378	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	164696136	RKQGYHWRCIEXKX-HMAPJEAMSA-N	625.317	5.745	50	40	KKGB	
CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	408536778	BBJQLFAALJSDRU-DXJNIWACSA-N	533.097	7.930	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2Br)ccc1OCc1ccccc1	408536802	BEVDWCDPQGNUHM-QFEZKATASA-N	662.378	8.232	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1Br	408538706	PKIFRKXNVYXURF-VYYCAZPPSA-N	579.358	7.367	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OC)c1OCc1ccc(Br)cc1	408544541	UQHSJZQZANHHGH-XKZIYDEJSA-N	547.405	6.009	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408549709	XLDKKELPKRBMOR-YVNNLAQVSA-N	586.256	8.403	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554051	YQHOAMNJUGDJIS-ULPWCQAASA-N	691.147	6.541	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cccc2ccccc12	408566216	FHQGCAFOKWWNSC-MUXKCCDJSA-N	677.236	6.300	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1OCc1ccc(F)cc1	408568034	HSWAIWSILKNBCH-KCSSXMTESA-N	566.720	6.540	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br	408569462	NXLGVOBEIIMHRX-LSHDLFTRSA-N	546.306	5.228	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408579389	GRDQKNXAUOXVGQ-GIJQJNRQSA-N	502.781	7.387	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1ccc(Br)cc1	408580668	QMLNYBVPVGACKU-RQZCQDPDSA-N	566.062	7.756	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408581593	JHHCDYUGHJXZFO-KEBDBYFISA-N	585.882	6.909	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408644352	RAHDLRMFPQDGTQ-MKXGPGLRSA-N	647.147	5.164	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408666961	ARVMZFQNFIKICF-NCOADZHNSA-N	570.665	5.027	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408678403	YMOWWIHLADIVJS-AJBULDERSA-N	528.609	5.665	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(OCC)c2)cc1	408711689	GAKPCIXJJZURFZ-OCSSWDANSA-N	536.426	5.390	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408742271	QLWYCUCAGBKYRC-HNSNBQBZSA-N	709.325	7.490	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccc(Br)cc1	408748078	YBLFGBKPMPZTED-ODLFYWEKSA-N	584.211	6.050	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408761493	FCZGJYSHJDFPJX-MOSHPQCFSA-N	630.460	5.514	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br	408762542	PADPSGCUOVSJPK-XGICHPGQSA-N	573.035	5.072	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408773103	SSMYOVPBDZDILP-AZRRZGMFSA-N	588.584	5.911	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1cccc2ccccc12	408790549	WXKZNKJRHGCTMG-ZVHZXABRSA-N	541.445	7.352	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408792030	GTHLYUMSTJKNIU-UDWIEESQSA-N	525.830	6.798	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408793000	CPCLNYOWWMLEJE-DJKKODMXSA-N	607.275	7.348	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408793161	DGNAMACUYMEFMZ-ZVHZXABRSA-N	614.452	7.070	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1cccc(Cl)c1	408819955	ZPJQJCPCECMNBN-RQZCQDPDSA-N	579.221	6.731	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCC	408822023	ADKWWMZDGMEPPJ-DEDYPNTBSA-N	647.307	6.976	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OCc2cccc3ccccc23)c1	408824760	HPUGHPCYQWEYAQ-LPYMAVHISA-N	528.992	6.644	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1OC	408831552	RBQBUBQXLZLZPQ-UXHLAJHPSA-N	648.601	5.489	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1ccc(C)cc1	408838518	FWFFKLLHMDWHQF-FMFFXOCNSA-N	535.600	5.938	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)O	408839313	QNNOHSYURRSYNQ-AMVVHIIESA-N	565.051	6.142	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4ccc(Cl)cc4)cc3)cs2)cc1	408841923	IQLWUFLKBKNDNT-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408842897	KHTORGGTBKMFFT-GKEHTTQRSA-N	737.857	8.715	50	40	KKGB	
C#CCOc1cc(Br)c(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC	408843705	RVRJCFLDALTUHO-VFLNYLIXSA-N	581.414	5.772	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408851427	ZGWJNRIDRWULFP-IDWIKUEFSA-N	653.533	7.865	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1	408861618	DNZFWZHLOPNOLH-FNTLCPBMSA-N	667.187	6.825	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1	408862095	WZMIIEZJQQZCOL-NSKAYECMSA-N	592.511	6.552	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(C)cc2)cc1	408864061	SCCXVQDMHPOLHH-ZCTHSVRISA-N	604.710	5.550	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1Cc1cccc(F)c1	408867003	JKXJFOKUOZCTQT-SRZZPIQSSA-N	507.403	6.740	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(C)c(C)c1	408869813	UDKMIVTZAFMNPR-KEBDBYFISA-N	606.382	7.060	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1	408881555	NXKWYNHBZIDEOA-DHRITJCHSA-N	508.581	5.035	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	408883049	STQUSWZPYUJRGK-UDWIEESQSA-N	617.281	6.749	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408953764	MOOLNNQDYZZKJO-KVNFINCSSA-N	686.505	5.209	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1	408964471	RNJQZMCVGSZTIL-VJVDTGGGSA-N	609.466	6.115	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408967813	SGZNITYZKNWZGP-GLNSOGGISA-N	590.771	9.280	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc2ccccc12	408970754	DESYMVOYEFRVSJ-YTZRIVKYSA-N	534.443	5.792	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC(C)C	408973103	YTMOUIMARGNPLO-HMWQJCLQSA-N	651.385	6.197	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C)c1ccccc1	408980983	UPTIIPGOSILGEC-XIOXGIFKSA-N	585.686	6.481	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1Cl	408984626	SFWUXUPCCVYILZ-ZDLGFXPLSA-N	563.222	7.031	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	408985735	YFUWOXZMXVYFSY-NVMNQCDNSA-N	560.231	6.887	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Br)cc1	408998905	SNEFFVIRISIQAE-KCSSXMTESA-N	631.439	5.991	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	409026779	XZJNQKVNSAWAMS-ATZGPIRCSA-N	645.952	6.010	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409027276	FEFOELBERLRIQU-KEIPNQJHSA-N	617.724	5.336	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1C#N	409052595	LACFTFYFLIRZSL-XODNFHPESA-N	559.791	5.476	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)Cc2c(Cl)cccc2Cl)cc1	409075698	ZBWNSAWTFQKEIA-DPNNOFEESA-N	596.536	6.222	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1	409080195	MOVCMXCVNDPIGM-NTUHNPAUSA-N	645.613	8.130	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)c1C	409091364	PSVBWIGSQAYDFV-LICLKQGHSA-N	537.326	6.220	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409156378	FKPDWFGGIVEGFL-VWJSQJICSA-N	621.410	5.363	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc(OCC)c1OCc1ccc(Br)cc1	409166660	DTOVNYJOMPBMOU-HNSNBQBZSA-N	618.553	7.233	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F	409173783	KBYCBIMCEOSBNP-JJKQSNDFSA-N	621.410	5.200	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1cccc2ccccc12	409180405	RGLVCWDYWPXRER-QWQZWDJFSA-N	592.611	5.715	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	409217537	CYTWAUUDMXCSFW-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	409224307	JZPOTHDRUJPBSL-GATIEOLUSA-N	537.153	5.647	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1	409233178	ROOBTIVASBOASH-KIBLKLHPSA-N	609.300	5.348	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409242529	OGAJQQSMOWNSBR-PXNMLYILSA-N	570.192	7.899	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2)c1C	409249370	HNFWGHWGHJVAHB-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(Br)c2)cc1	409257976	VQOYQTXFKKOXOZ-YVLHZVERSA-N	647.707	6.215	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)ccc1OCc1ccccc1	409258355	WOCABWNBDNYFMQ-HQDYHJHZSA-N	681.381	6.971	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409263666	NNFZZKHYCLURPM-WQRHYEAKSA-N	554.828	5.983	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccccc1C	409264800	QKDCILKEKGZOLX-XDHOZWIPSA-N	509.484	5.586	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409271841	NWQBSINQTGBSPH-VXLYETTFSA-N	524.404	6.182	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	409272147	OZEFOMIQGBCRHN-XDHOZWIPSA-N	520.383	5.335	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)ccc1OCc1ccccc1	409318349	VUYNOKXENHSEQC-FZPRHHONSA-N	654.355	7.151	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1OC	409323795	QPBCCQADVBTPCU-FDVSRXAVSA-N	501.410	6.442	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409327377	SRXBCAGDSTZPNM-KYMQWJLESA-N	558.296	6.494	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OCC	409335421	WUCOTCDGIXNHPR-FSGOGVSDSA-N	519.598	5.054	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1	409341946	CXTSYDXQHZRWET-VEWQFJOQSA-N	573.074	5.154	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1cccc(C)c1	409372731	IAMPUNGKWDACKR-OKCVXOCRSA-N	533.422	6.271	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12	409374196	ZQMQIQHZPVWGOW-WCMJOSRZSA-N	510.981	5.859	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409380451	DRCIMJOGWJEWBE-GZTJUZNOSA-N	574.353	6.040	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409385451	KIDBJLSSBVCALJ-UVHMKAGCSA-N	646.419	6.064	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1	409388380	UWDPOCUDDPOCPX-QGOAFFKASA-N	506.356	5.021	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)c(O)c1	409391263	IQPBIQWMBBXJBA-WKULSOCRSA-N	535.394	5.668	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)[nH]c2c1	409393255	WNGDOXWQKLGQSP-ZDLGFXPLSA-N	504.340	5.675	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396573	XETTXNFMKPBUCK-UHFFFAOYSA-N	611.098	6.945	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409398666	VBWYIAWZPXJUPB-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1	409401178	GSSXJFITIUITAJ-KMUKQRDJSA-N	653.648	6.824	50	40	KKGB	
COC(=O)[C@@H](C)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401528	HLCFCWHBAHBMAG-IZKGUHRSSA-N	550.011	5.624	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(F)cc3)o2)cc1	409403132	LXYKQJMMZYEFCZ-HQDYHJHZSA-N	582.588	6.656	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)OC(C)C)c([N+](=O)[O-])c3)o2)cc1	409404243	PNHBGZIQJMGEPK-ACXHZZMFSA-N	574.590	5.269	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1C#N	1529548553	IYNLAJZFUOHBOR-TXWDNMQDSA-N	652.560	5.329	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nnc(SCc4ccccc4Cl)s3)ccc21	1877021	ZYTPDDFEEMWEPW-CCVNUDIWSA-N	552.150	6.854	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	3140644	SGQVCDAKMUSWJI-PGGKNCGUSA-N	591.481	6.417	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1Br	3175258	YSEYGTQRCRMCHV-YMSFFTPVSA-N	534.248	6.071	50	40	KKGB	
Cc1cccc(-n2c(SCC(=O)NN(c3ccccc3)c3ccccc3)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1	3254697	JEZZZOZXLKWSIT-UHFFFAOYSA-N	598.754	5.455	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)c1	8426418	NTPUPWQYOJHBNU-YMNDLRCVSA-N	526.958	6.450	50	40	KKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)C(C)(C)C)c3)c3ccccc3n2)cc1	8454685	SDFDHVHMVLAYHD-ITJLDIIPSA-N	520.677	7.554	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccncc3)nnc2-c2ccc(Cl)cc2)cc1	9008826	LHTFCNNVKPLTBU-QRQIAZFYSA-N	507.019	5.014	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NC(C)(C)C)N1	9433853	HHDAHMVAJHKGBI-OAQYLSRUSA-N	518.561	5.281	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(\C)c3ccc(-c4ccccc4)cc3)cc2)cc1	12561437	AXQALEOTGYVDEE-MWAVMZGNSA-N	513.619	5.707	50	40	KKGB	
Cc1ccc(Cn2c(SCC(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)nc3ccccc32)cc1	16712345	XNIMJMRXDHEQHB-OCSSWDANSA-N	508.651	5.438	50	40	KKGB	
COc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	20207218	DVBVNAGUGSEWFH-UHFFFAOYSA-N	520.095	5.561	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1	32106959	NTUIQTYQRZRBGU-KYMQWJLESA-N	501.719	7.009	50	40	KKGB	
O=C(NNS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)c1cc(C(F)(F)F)nc(C(F)(F)F)c1	59530781	GJMPLPQLIFEKSB-UHFFFAOYSA-N	608.826	5.602	50	40	KKGB	
C[C@@H]1CCc2c(sc3nc(/C(C#N)=C/c4cn(-c5ccccc5)nc4-c4ccc5c(c4)OCCO5)nc(O)c23)C1	97981611	LANQFBZRUUQBKO-SQVRNEIYSA-N	547.640	6.210	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccc(Br)cc1	100041914	UTROUZRGTQHLSH-QDTIIGTASA-N	610.686	6.012	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(Br)cc1	100063563	UCDBZEDYHPYTDR-RUMWWMSVSA-N	610.961	6.960	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)c1C	100101412	AXBWZOFBVWTEGZ-AMVVHIIESA-N	537.991	5.630	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	100129486	LQGMTCSUGKHYBS-LJUMEUDFSA-N	569.514	5.742	50	40	KKGB	
Cc1ccc(C2=NN(c3ccc(/C=N\NC(=O)c4ccccc4[N+](=O)[O-])cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1	100136055	XSQSMPFLAWOBLI-LIWTUZSWSA-N	538.007	6.676	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)ccc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852070	PMMZIBJBRKQKOE-KBVAKVRCSA-N	608.562	6.254	50	40	KKGB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccccc1Sc1ccc2c3c(cccc13)C(=O)OC2=O	101140942	INEFWBACSJPZHF-PXLXIMEGSA-N	540.000	6.674	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Oc3ccccc3)c2)=C(C#N)[C@@H]1c1ccccc1	102807114	NIZHTMOBURDKRU-XIFFEERXSA-N	602.716	7.194	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Cl)c(Cl)c3)CN2C(=O)C[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	102808600	GKWYMLJTVRFKAJ-QFIPXVFZSA-N	556.902	7.445	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1	102868249	XCMDBGCYLACQMM-SSEXGKCCSA-N	570.114	7.869	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2	104951919	XMMHNJHIROMGKT-WOJGMQOQSA-N	552.881	7.039	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)c1nc2ccccc2[nH]1	113831900	YXPSLPVKROIZQQ-NTUHNPAUSA-N	608.168	7.871	50	40	KKGB	
FC(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341995	LTTDFBCOGRIWIP-REOHCLBHSA-N	892.044	10.928	50	40	KKGB	
CC(C)(C)OC(=O)[C@H](CSSC[C@H](NC(=O)OC[C@H]1c2ccccc2[C@@H]2CCC[C@H]21)C(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21	169747659	QGWOYZLGEIXRTK-XYOAERNRSA-N	789.029	8.734	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c(C#N)c1C	408547198	URUAZMSPPSEMRD-UFFVCSGVSA-N	544.585	5.109	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1I	408549775	YVPDPXMUPZAISE-GRSHGNNSSA-N	561.160	6.125	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)ccc1OCc1ccccc1	408551510	DHWGENAOQDGWOV-FZPRHHONSA-N	578.452	6.362	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408553181	MNCZPHHXZALEOK-QGOAFFKASA-N	510.377	5.955	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408554727	UIKQLWAAXJYLFB-RQZCQDPDSA-N	617.352	7.701	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1C	408568989	LTMYMCSSEPCAML-VULFUBBASA-N	526.640	5.019	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408570515	WGNRKAFDWVLWBG-KVAAJVFYSA-N	626.631	7.988	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)Sc1nc2ccccc2[nH]1	408598503	BRFLKBDJNXZXBX-WOJGMQOQSA-N	541.268	7.324	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)Sc1nc2ccccc2[nH]1	408598584	FAJKMOGPDYYBGG-RQZCQDPDSA-N	680.265	6.916	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3c(F)cccc3Cl)CC2=O)cc1	408612313	YDCPQDXQHFOVRN-QGZVFWFLSA-N	516.400	5.770	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408638346	CGDSIRWJHUYZSB-VCOUNFBDSA-N	551.829	5.711	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)cc1	408652436	ONCWNXORRDQKIX-CRSFMYOCSA-N	799.321	6.088	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c1	408710726	XHMSIHDFLAWUKJ-KKMKTNMSSA-N	582.676	6.225	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)c(C)c1C	408731453	MRVZBBUPAOGYSO-JFLMPSFJSA-N	528.472	5.028	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408742687	BRKNMQBPHWRBAH-ZDLGFXPLSA-N	571.225	6.553	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747270	LJRSZZIQTRPOMP-SXGWCWSVSA-N	683.094	6.849	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccccc1Br	408765047	WBUCIBIJPFTRAB-RVDMUPIBSA-N	607.236	5.433	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	408773270	HSPYGWXRCLCHCT-WPWMEQJKSA-N	520.438	5.128	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408774434	WYHOIDMALJRKPS-NVMNQCDNSA-N	508.243	6.495	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408786656	LQSBYPTZWBALBH-UVHMKAGCSA-N	540.856	5.309	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Br)cc1	408787472	APMWJXLHEIBHOF-SRZZPIQSSA-N	554.282	7.262	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(I)c1	408788829	MFXJLHABPJQMBP-YBFXNURJSA-N	528.777	6.378	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408792581	BAVPCRDUGFVXNK-FRKPEAEDSA-N	622.188	6.226	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(C(=O)O)cc1	408795980	WSZCEUYQJJKXJB-SRZZPIQSSA-N	535.394	5.897	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408796253	NMLOEOCVMXEIRF-OEAKJJBVSA-N	563.868	8.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1c(C)ccc2ccccc12	408803812	ASNDWMJZJSLQIR-LPYMAVHISA-N	575.890	8.088	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1	408826697	KNRMDWMQSTXULG-NNLKUIAGSA-N	719.285	6.282	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)c1	408833917	XACVWOKMYGYKOF-KVAAJVFYSA-N	707.430	6.698	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408834087	KZQYREOAXGNIHC-OEAKJJBVSA-N	729.796	8.419	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	408864722	ZJCDYXQBNLXUTE-KEIPNQJHSA-N	614.724	5.065	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1OCc1ccccc1	408868327	NYRFSLJBSCSXGD-FWAKAVKNSA-N	565.695	6.202	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3cccc(F)c3)c(OC)c2)cc1	408868354	OBWYYVCMHOSSER-RGVLZGJSSA-N	537.385	5.910	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c2ccc(C)cc2)cc1	408870285	SMENTSFRXXERQU-QCFMCPCVSA-N	619.143	6.035	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OCc1cccc2ccccc12	408880461	HWKRUEAWTKTIFQ-OKCVXOCRSA-N	584.841	6.839	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OS(=O)(=O)c1ccccc1	408880542	IEMBLXLOFDOQTN-GZTJUZNOSA-N	654.764	6.886	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2OC)cc1	408883317	UZFVCYNVDDDKLO-LICLKQGHSA-N	634.708	6.956	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccccc1Br	408886281	JNGDTAXQGIQXCQ-LICLKQGHSA-N	558.226	6.050	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OC(=O)c1ccccc1	408888523	WPSPPNFTGPBKCD-LICLKQGHSA-N	650.210	5.669	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2I)c1	408924132	LJFWURLQEVFKQT-WKULSOCRSA-N	646.266	6.700	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OS(=O)(=O)c2ccc(C)cc2)ccc2ccccc12	408926243	WMKMHGCFGUTCJR-LQKURTRISA-N	553.434	5.451	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408934031	CHTILZDUHBTVQC-OXUBWTJQSA-N	529.207	5.935	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1	408948920	QAMTZNDMVQDMHW-HHHXNRCGSA-N	797.897	6.171	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	408968943	DIKWOTWQTJCPPY-SPFQMFHJSA-N	622.505	6.075	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCc1ccccc1	408972856	WFVIAZXPXNVGQP-RWPZCVJISA-N	523.383	5.946	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1	408974048	WJWCZFMTPHXXCL-UVLVBYFMSA-N	634.560	6.535	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408987651	GEMIOWSURPFGGU-UUYOSTAYSA-N	555.889	8.207	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl	409019819	XPLBWCPPNIGLKZ-ZYMKGWJUSA-N	510.421	5.453	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)cc1	409023963	FYIQIQSXHDTQRJ-UZWMFBFFSA-N	542.705	5.619	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	409026362	MUODWLYQKVODEV-QNKGDIEWSA-N	571.699	5.703	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@H]23)o1	409032202	LORDUXATMLWHSG-ACHNLOPASA-N	580.984	5.116	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409060425	VBQNUIBAPLKQDJ-FABQOPTDSA-N	610.107	5.716	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl	409133071	ZHJJRJZQKJYAPQ-YNCTYVJUSA-N	503.451	6.520	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	409158478	LGGQOCDXNRWXKF-VWJSQJICSA-N	711.340	5.668	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C	409169430	QQSANTUOIWMJGZ-KPGMTVGESA-N	656.521	5.284	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCC	409174498	MVQBVUBDJYGEHO-LGJNPRDNSA-N	545.261	5.812	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)cc2c1	409187127	MLMLNUSDTBJLFN-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409202156	PHUPGRSDUYZBEC-RPPGKUMJSA-N	611.845	5.683	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409220353	XQDOOBQNWSWLPY-YBFXNURJSA-N	615.855	6.133	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccccc1F	409222643	CQUVYFOMEAEJBS-KKMKTNMSSA-N	502.999	5.106	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409225724	OISRWNNAGYHDCP-UHFFFAOYSA-N	664.498	6.561	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2Cl)cc1	409250458	MENNUHZOINOLIR-PDGQHHTCSA-N	524.360	5.343	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)c1	409256208	KGQJBCGWIHTBAJ-KULFSUQXSA-N	689.035	8.368	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409256844	NTMYDYUQOCGFFU-RGVLZGJSSA-N	571.983	6.938	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409258785	VXWGBVKTINELAR-MTJSOVHGSA-N	503.986	5.837	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)ccc1OCc1ccccc1	409309342	FTPPYKGCZVKTQF-KYHGBAKBSA-N	535.427	6.924	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)ccc1OCc1ccccc1	409309707	LKPDUHXIWPVZJR-BIKKEBSBSA-N	700.573	8.164	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1OC	409309773	MFFMZKGANSVSDS-KYHGBAKBSA-N	624.329	7.281	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1OCC	409314746	HCJUVJVDGFSZKZ-LPEPFOFCSA-N	689.279	7.882	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OCC	409335336	VRUNNUJWCXUGDA-RHANQZHGSA-N	605.507	5.485	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccccc1F	409372238	UKYMJUIUMRLKIG-CHHVJCJISA-N	650.056	7.985	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)[nH]c2c1	409390965	GKGIUJWAJMSHAZ-NVMNQCDNSA-N	581.366	5.526	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1Cl	409393261	WOEGYMKUZFFCGU-HIWRWHBISA-N	634.301	6.901	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccccc1C#N	409393628	RMNZEKLIQWXSEI-UKWGHVSLSA-N	510.306	5.954	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1cccc(F)c1	409393879	SVEIFTXCUBHORS-FMCGGJTJSA-N	505.330	7.227	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394425	AGZYASKTZPCSJD-UHFFFAOYSA-N	680.284	7.390	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(C)=O	409394796	FZJGZAFGQURHQD-UHFFFAOYSA-N	773.356	8.296	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc5c(c4)OCO5)c(OC)c3)c(-c3ccccc3)c2c1	409399180	YESZQXJCQOFETM-UHFFFAOYSA-N	577.593	5.954	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1O[C@@H](C)C(=O)O	409401107	GKTGTTUVTPZORM-ANYMWJJYSA-N	644.906	6.306	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccccc1	409401520	HKJYUKUSGVRXEQ-UHFFFAOYSA-N	671.548	6.819	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccccc3F)o2)cc1	409402329	JUGNDDUOZUWTLS-QMRORBIVSA-N	661.484	7.419	50	40	KKGB	
COc1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)c1	409410028	SPGYPNRCGVBAMQ-APTWKGOFSA-N	536.632	6.446	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccccc1Cl	1529548236	BINDQJMZAXBGQM-JKYKOXDNSA-N	844.897	6.013	50	40	KKGB	
COc1c(C(C)(C)C)cc([C@H](c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)N(C)[S@](=O)C(C)(C)C)cc1C(C)(C)C	1857795212	VLCGVEPBXGGMMZ-YCNHPZTISA-N	760.037	10.963	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(Cl)cc2)cc1	1790591	ZTEMVFHRWQTNAX-YMGIJWJESA-N	508.430	6.367	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)sc(C(C)=O)c1C	2265714	DCWZMIYCTNYOPW-JCMHNJIXSA-N	519.692	7.584	50	40	KKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)s2)cc1Cl	2670885	FFFJVTRUZJHBNB-LICLKQGHSA-N	528.848	7.808	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2cc(Cl)ccc2O)n1-c1ccccc1	2738742	IFIIBFVKCFWFTC-NXLNKITKSA-N	555.491	5.831	50	40	KKGB	
N#CC1=C(SCc2ccccc2)N[C@](OC(=O)c2ccccc2)(c2ccccc2)C[C@@H]1c1ccccc1Cl	3670796	VGRKCIHVRJNNFH-WXGMZPBLSA-N	537.084	7.795	50	40	KKGB	
O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1	6147244	BLWUYKLPNSUNAD-STKMKYKTSA-N	576.703	6.924	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@H](c3ccc(F)cc3)Nc3ccc(Br)cc3[C@@H]2[C@@H]1Cl	6445755	GRCLJBJEWJBFNF-JCTDHXFVSA-N	533.850	7.535	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	8437931	YQDQKLZJQQTFEU-OPFKHFCCSA-N	612.702	6.527	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1cccc(Cl)c1)=N\NC(=O)c1cc(Cl)ccc1O	8665888	SUNYWTVNZMNDGK-LTOHIISPSA-N	548.434	6.517	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)c1nc2ccccc2[nH]1	9192130	JNNLANCSMYYDDD-XLNRJJMWSA-N	520.618	5.264	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCc3ccccc3Cl)N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC	9244060	XGBSBNIDFUVBAE-DEOSSOPVSA-N	525.070	7.205	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1Cl	9846987	SNPOPIRPOAPVBL-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
N#C/C(C(=O)c1ccccc1)=C1/SC=C(NC(=O)CSc2nc3ccccc3o2)N1c1ccccc1	10343827	MIMPOPQTJVXLNR-QOMWVZHYSA-N	510.600	5.706	50	40	KKGB	
CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	16728899	NUQCGXPIIBIAEK-KGENOOAVSA-N	517.416	6.468	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1	20060217	DZVLOOLVQJUXSE-UHFFFAOYSA-N	518.123	6.697	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(OC)c3)c2C)sc2c1CCCC2	32109629	KINYJTBGTSZWPQ-XSFVSMFZSA-N	503.624	5.765	50	40	KKGB	
CC[C@H](C)c1ccccc1OCCOc1c(Br)cc(/C=N/NC(=O)c2ccncc2)cc1OC	41078017	IYDDYLRORGPHGJ-OJPXDDBDSA-N	526.431	5.588	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1	97962139	XAAJGJUOVWIONS-XSFVSMFZSA-N	544.011	5.143	50	40	KKGB	
CCCCc1ccc(/N=C(O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1	97968691	JONJLTJNRGECMC-MZTUTTDZSA-N	550.511	8.050	50	40	KKGB	
O=C(N/N=C/c1ccccc1)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	97981203	DFUXCFROIXFRBQ-FDAWAROLSA-N	536.028	5.634	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1cccc(Cl)c1Cl	100120393	PCBASLYCESKLQS-JEPNHJGPSA-N	574.556	6.483	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)Cc2ccccc2)cc1	100129221	HPJTUCOHBZARPF-KYHGBAKBSA-N	583.541	6.051	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1cccnc1	100434499	LENLEMNWEAFUNP-RGXNXFOYSA-N	530.613	5.914	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1cccc(Br)c1	100900449	YYWAKPVMHYPKAX-NTFVMDSBSA-N	527.875	6.133	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100991304	GAAPAZQOAGJJRC-HVBJHMBASA-N	552.881	6.476	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)sc2c1CCCC2	101001173	FZAJBWROKZHAHQ-AREMUKBSSA-N	618.806	6.572	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	101078074	VHFMVNKYPMPDHF-HGLWPWQMSA-N	526.127	7.829	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2OCC)cc1	101620052	IWVLNQRIVVIXFE-KGENOOAVSA-N	581.547	5.844	50	40	KKGB	
Cc1sc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2cc(Br)c(C)s2)cc1Br	101656673	SXDQLYGMMBCWAJ-BKHCZYBLSA-N	604.434	6.673	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(Br)cc1	102006671	CWBIVHGRUZHJAS-LGJNPRDNSA-N	526.412	5.420	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	102810312	NVSLAZFKODMYRV-AREMUKBSSA-N	548.590	6.412	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)cc1	102933040	FEZPPPFWXQZCGE-HKBQPEDESA-N	549.696	7.469	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cc(OC)c1OC	103745470	CKXBUCPQWWHZRV-DHRITJCHSA-N	524.580	5.145	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	103832774	ZBMCMSGSNLBLEH-OKCVXOCRSA-N	586.501	5.150	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(I)cc1	103889807	BMCOGAZZSPAVPS-SXGWCWSVSA-N	613.666	7.385	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(F)cc2)cc1	103898631	GSUYEKOYPIAJHR-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\c2ccc(-c3csc(-c4ccccc4)n3)c(Cl)c2)cc1	104083404	NXMKKVRDOIAUDK-LQNQUEJISA-N	514.909	8.165	50	40	KKGB	
Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccc(N(CCCl)CCCl)cc2F)cc1	104099632	SJJPNWUBZLORTL-QRQIAZFYSA-N	508.446	5.970	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164737282	FXQCMBYZUSIFGQ-NVNXTCNLSA-N	618.085	8.029	50	40	KKGB	
CC(C)(C)[Si](C)(C)Oc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(O[Si](C)(C)C(C)(C)C)c1	195889086	KWSNJIZOHUYBRC-UHFFFAOYSA-N	613.951	9.949	50	40	KKGB	in-vitro
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	209605515	RPPDFCBBFRJMAE-VYYCAZPPSA-N	501.808	6.153	50	40	KKGB	
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[C@@H]2CCC[C@@H]2P(c2cccc3ccccc23)c2cccc3ccccc23)c1	222411758	BVCVBGLXUGAVAF-SSHBMFOQSA-N	622.773	10.350	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2OC)ccc1OCc1ccccc1	408540683	VCLXVPIJXVYNMA-HQDYHJHZSA-N	668.382	7.541	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543935	TZUCAOANAROGHM-IMRQLAEWSA-N	523.633	6.063	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552378	SLHHDQPWPBRFMF-YBFXNURJSA-N	609.445	5.926	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	408580254	BMHGZUORMXHNTO-YBFXNURJSA-N	511.803	6.501	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1	408637616	LSKHUEAXUSGUDL-NGQVCNFZSA-N	588.487	7.576	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	408646206	TXAXCBIDVLEVEA-WOZUAGRISA-N	610.730	5.119	50	40	KKGB	
O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)O[C@H](CCCl)C(=O)c1ccc(Cl)cc1	408666552	VCMOJBKFLZPGMH-XPYRPGPRSA-N	617.312	5.657	50	40	KKGB	
O=C(NNC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccccc1Cl	408672111	ZMHJWLZYPSGOBG-YZLFETNZSA-N	644.942	5.306	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	408739802	FUMDYHCPXMLWBZ-YRRMYEEHSA-N	505.621	7.657	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408748308	BQKIFOLBVZRGFV-OKCVXOCRSA-N	537.841	6.997	50	40	KKGB	
C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(Br)cc1	408783484	LVCLKYYOPCJWIN-JOWQQVNMSA-N	508.441	5.377	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408788931	NDSULPURAUJJRR-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1cccc(Cl)c1	408791106	UCVJZRIFRDJNLF-LICLKQGHSA-N	593.646	6.832	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408793823	GTDMQZBKRRJMKM-OEAKJJBVSA-N	543.417	6.831	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c(C)c1	408795900	MXTDQDJFSNQDTR-DJKKODMXSA-N	558.245	7.092	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408796137	OHIFOEWWCNOYOV-VIZOYTHASA-N	510.179	7.564	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408796243	OOFKCELSNLDBSV-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	408798775	XDLWMDPBLVIGIO-FYJGNVAPSA-N	630.866	6.645	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc(I)c1OCc1ccc(Br)cc1	408806049	AIXHEZRMPDTOEE-ZNBBLSJYSA-N	583.264	5.853	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408807795	OUWJRHIEBKIKPN-XQNSMLJCSA-N	523.419	8.424	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408825749	FXEUAKINSAZTLQ-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1cccc(Cl)c1	408826469	JKPDSHAMQJZUKJ-FSJBWODESA-N	733.817	9.354	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408828339	LRWUSMMDGGKQLF-PPOKSSTKSA-N	585.726	5.881	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cccc(C(F)(F)F)c2)cc1	408830621	SIXAVKVGLWYVNK-WCMJOSRZSA-N	586.548	5.528	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408834252	LGUFBYYJVMKJEL-YDZHTSKRSA-N	604.446	7.614	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408842383	OKVFRDDKTRRJSS-HPNXWYHWSA-N	623.731	6.090	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845251	PSNAJDRJDQQSPE-PTEHHBOZSA-N	686.846	9.619	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1	408852842	JGJDSFONQRULHO-NBCFERAOSA-N	569.514	5.608	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1	408857025	MRPDQQPIPRAESF-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	408863626	NYCNGGKTDKBFCJ-RWPZCVJISA-N	534.465	5.374	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408866297	DVTGIVWGMKPZLK-NDZAJKAJSA-N	537.682	5.261	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c(OC)c1	408867568	LKVVGGGNOFJKJJ-KEBDBYFISA-N	618.855	5.773	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	408868241	ORLQVJOWVCOCGF-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1Cc1ccccc1F	408872128	KYXXAAAMVMBXPM-BUVRLJJBSA-N	526.995	7.203	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OCc1cccc2ccccc12	408882647	RNMYBPCTBGTKTG-PXLXIMEGSA-N	509.518	5.890	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408885742	AADJXUIPSDADCF-ZMOGYAJESA-N	529.303	5.220	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c([N+](=O)[O-])c1	408887404	NXEJQOOXCHOMIG-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1OC(=O)c1ccc(OC)cc1	408888304	YTSIRUMARMUOIL-RWPZCVJISA-N	541.398	5.157	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408888677	YUFCLTMGIQEMHH-VCHYOVAHSA-N	556.800	6.452	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408897175	WSSCYVCKTVXSRE-RPPGKUMJSA-N	546.899	6.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccccc1Br	408898138	UWXBZXXSXSHJNH-WOJGMQOQSA-N	682.150	7.340	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	408925055	SOKUVVMLPBZYJD-AIEHZXCGSA-N	736.403	5.682	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Br)cc1	408962085	GIXSVQKVNWAXNS-XKJRVUDJSA-N	586.202	6.582	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Br)c1	408983694	NMGLTZMCBOFUFK-OCKHKDLRSA-N	530.249	7.497	50	40	KKGB	
Cc1cc(C)c(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)c(C)c1	409013401	NFQDFNYIWNAAGQ-KVSWJAHQSA-N	604.286	6.897	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccc(C)cc1	409096407	KAKAQMIEZBSFGT-RUZDIDTESA-N	521.367	5.292	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(I)cc4)c(I)c3)cc2c1	409187047	LIKLMMGFMFVHMF-DBFSUHOCSA-N	745.149	7.146	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c1OCc1ccc(C(=O)O)cc1	409187347	PFHCFGHMUZAATC-MYBYBSHWSA-N	621.693	7.861	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1	409211177	MZTJDVPTULNZCE-CCVNUDIWSA-N	503.451	6.522	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)c2)cc1OCC	409218786	HAJUFSSLEWSNNJ-UHFFFAOYSA-N	595.652	6.036	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	409220737	FCJJIPCZAYAHRL-MYYYXRDXSA-N	540.545	7.109	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(C)=O	409222948	FMWRUWFGXBAWRO-OHUYPAJKSA-N	586.000	5.509	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(NC(=O)c4cccc(C)c4)c3)cc2OC)cc1	409224323	KKIIEICXAOIMPF-UHFFFAOYSA-N	537.572	5.248	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl	409264249	PZQMNTZKAORDJQ-RQZCQDPDSA-N	603.698	6.737	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2)cc1Cl	409268052	YZLXLUNWECMCNH-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)cc1OCC	409310098	QHMNPBAOAIYNTB-OHUYPAJKSA-N	638.356	7.671	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1OC	409318742	XUOMUTZUZHTWKW-MWLSYYOVSA-N	509.990	5.227	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409330531	BEPYLSGEJXREFB-AQLQTECXSA-N	626.382	6.738	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OCC	409337243	XLFSMHBVBOEOBA-FDVSRXAVSA-N	530.408	5.572	50	40	KKGB	
CCOc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)c1O	409368211	PJQWNFQGOMPQBZ-CPDSRJINSA-N	578.518	5.364	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409371055	AFOOQMWYIOYEST-LSCVHKIXSA-N	548.220	7.706	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386351	PRYWXXNWNPUBQT-LUOAPIJWSA-N	518.353	6.598	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccccc1	409395759	RJRCUMVLTBHGNS-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397222	HNEJFDZIGIWSIJ-UHFFFAOYSA-N	513.937	6.073	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397838	ONOLIUNRLZWUIN-UHFFFAOYSA-N	626.463	6.708	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCC(=O)Nc3ccccc3)o2)cc1	409401609	HRQSVDNHCCPNCW-IDWIKUEFSA-N	605.695	6.114	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)Nc1cccc(F)c1	409401987	IVGFAYHRUHDWJD-CVUIAOGPSA-N	738.010	8.001	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1	1767491	JXUZSTUJOMRTOW-SFQUDFHCSA-N	558.379	7.321	50	40	KKGB	
N#C/C(=C/Nc1ccccc1C(F)(F)F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	2202293	DIRGSCDNYIOIFI-RAXLEYEMSA-N	518.314	6.674	50	40	KKGB	
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NNC(=O)c3ccc(COc4ccc(C(C)(C)C)cc4)cc3)n2)n1	2640087	NJLSHHIRVWFKML-UHFFFAOYSA-N	532.044	5.489	50	40	KKGB	
O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1cccc(Br)c1	2740297	YYLBERWRYNIRJE-KBVAKVRCSA-N	571.504	6.038	50	40	KKGB	
O=C(c1ccc(Br)cc1)[C@@H](Br)[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)[N+](=O)[O-]	4409363	VWWYOBLJATTWNP-QHAWAJNXSA-N	537.635	6.851	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	8384457	RUYHBOCGLZRSQU-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1cc(Br)c(OC)cc1OC	8397173	DDYOTNIEZUGYHC-FJEPWZHXSA-N	595.523	5.252	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	9261887	GOKOMBYDLGKIMR-BHGWPJFGSA-N	505.270	5.375	50	40	KKGB	
O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)[C@H](Br)Cc1ccc(Br)cc1	12273692	LXLACBGPGQFELG-QGZVFWFLSA-N	514.670	6.095	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	20059478	ORAQMTYNXINUCO-QFMPWRQOSA-N	511.647	5.821	50	40	KKGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	59855678	RTAMCXRCADEESM-FJEPWZHXSA-N	553.990	5.492	50	40	KKGB	
Cc1oc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1Br	59885833	ZOIGEMCUTSRGHN-LUOAPIJWSA-N	578.794	5.368	50	40	KKGB	
CCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C(=O)OCC	85866968	RZDVVCUECIKDMX-XDSPJLLDSA-N	677.754	8.547	50	40	KKGB	biogenic
N#C/C(=C1/SC=C(c2ccc(Br)cc2)N1c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1	96022546	DJCRSHCGVPSXQZ-FVDSYPCUSA-N	583.515	6.311	50	40	KKGB	
COC(C)(C)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1-c1c(C(C)(C)OC)cccc1P(=O)(c1ccccc1)c1ccccc1	96171878	LGHPMINBMOJGNW-UHFFFAOYSA-N	698.780	8.395	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)ccc1OC(=O)c1ccc(Cl)cc1Cl	97964143	QGFIJWACOYJVQJ-LIEXTQAUSA-N	557.430	5.809	50	40	KKGB	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1	97965815	VWPQHPHNHFTAIM-CJLVFECKSA-N	527.422	6.305	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC(=O)c1cc(C)c(C)cc1C	97980643	XTUFIOAVMMCKET-JAIQZWGSSA-N	556.968	7.100	50	40	KKGB	
Cc1cccc(CSc2nnc(N3C(N)=C(C#N)[C@]4(C(=O)Nc5ccc(F)cc54)C4=C3CC(C)(C)CC4=O)s2)c1	98007256	FAKDSPLXROPPFD-LJAQVGFWSA-N	572.691	5.325	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccccc1F)c1ccccc12	98008277	NSSJPZANIYKKPC-UMSFTDKQSA-N	540.598	6.331	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2)cc1	100988593	ISSLSQAOKKHTRM-HEQFHQOESA-N	538.456	6.457	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccco1	102760629	XUGQBFAYMRCMGW-RUZDIDTESA-N	607.486	5.535	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882967	YMMLYJRDQSBTET-STZFKDTASA-N	554.847	6.076	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(C(=O)O)cc1	103890660	GSHFINPHFVKGSN-ZDLGFXPLSA-N	590.257	6.977	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12)c1cc(Br)ccc1O	112255207	NMSFYCRXSVXWGA-HXCXGEGBSA-N	610.439	5.260	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C(=O)[C@H](Br)[C@H]2C1	123260367	JORIUVUQFBFOKU-ACMHOYLLSA-N	523.596	7.592	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCC[C@@H](I)CC(F)(F)F	169795300	UEFLQIKAHGLYOH-OCAPTIKFSA-N	502.018	6.059	50	40	KKGB	
C=CCO[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1	263593349	BDKQSXIIYZQXSP-PYWJFMQWSA-N	604.860	7.692	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408530040	KVSFMVQZIOEFTF-IPPBACCNSA-N	530.850	5.951	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(C)cc3)cc2OCC)ccc1OCc1ccccc1	408541033	XKFHZHLKRIYONF-OJYCWLPVSA-N	573.089	7.368	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408541612	GXDMBTCMZLLALX-NVMNQCDNSA-N	511.759	5.925	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408550726	GYDCVYZCOKVBOI-NCAUGAEKSA-N	556.189	5.990	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552122	OLOABDIUFASYDH-WQRHYEAKSA-N	510.377	5.874	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)CC2=O)cc1	408605335	JRNQMYQKWDEXTO-HXUWFJFHSA-N	524.017	5.213	50	40	KKGB	
O=C(NNc1cccc(OCc2c(Cl)cccc2Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408606355	LQHHALPGGBXINS-HNNXBMFYSA-N	504.801	5.722	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)cc1	408649347	XTZZDADKHBHCQW-YCAMKHIRSA-N	751.255	6.683	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408712061	XUTACWSGESNVPH-DBFSUHOCSA-N	709.149	6.873	50	40	KKGB	
CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2Cl)c(OCC)c1	408725496	JEHOVZCZQXCCNL-SXGWCWSVSA-N	511.743	5.392	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1	408726125	PSFWUDCVHNPLRF-JAIQZWGSSA-N	583.382	6.031	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1	408742929	CTJNCENPKKJPAQ-WQRHYEAKSA-N	729.150	7.182	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408745443	SHKGHBFAOCDLTR-NVMNQCDNSA-N	501.797	7.089	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1	408745506	NATCNHRREZEZLL-YVLHZVERSA-N	654.217	6.168	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408745785	VPAGKWGLWCFYME-MFOYZWKCSA-N	672.144	7.884	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747151	JPLABFWGRVYTDK-MNBJERMJSA-N	549.852	6.068	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747300	LURJWSJQAUSSIK-KYHGBAKBSA-N	612.293	6.316	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc(C(C)(C)C)c1O	408752704	GGJORRIPLYHGTB-WCMJOSRZSA-N	515.481	7.637	50	40	KKGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1Br	408757263	XRPNZRVDKKGFNA-RCCKNPSSSA-N	533.403	5.916	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Br)c1	408761587	GOFXHDQOICXDDU-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1	408788736	FSTANVFJHJXYLC-QGOAFFKASA-N	512.201	6.336	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(I)cc2)c1	408795565	MQQMOFPJKZSXLF-XDHOZWIPSA-N	573.228	6.487	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1	408795567	LOAHBOASZVUGPD-YBFXNURJSA-N	757.160	6.960	50	40	KKGB	
COc1c(I)cc(I)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C	408798067	UOCAAMPSJRZDDQ-VGOFMYFVSA-N	558.157	5.067	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc3ccccc23)cc1	408803808	ARGOZFSFTUTVCW-KOEQRZSOSA-N	506.558	6.150	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408818874	YQLAZDHIOSEIPY-JAIQZWGSSA-N	590.301	6.966	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)cc1	408829296	FKVPDNQUNNRMHC-KEGTUQKMSA-N	832.626	7.432	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)cc1	408833322	UCCUMBSEVAGPQB-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408837198	ZVTNRUCDKLJBEV-MFKUBSTISA-N	617.927	8.123	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)o1	408840977	GZUQKZYVQLOOPH-KVSWJAHQSA-N	529.500	6.075	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408858479	SHHAUHLZZGTOCI-WBIBEUCMSA-N	769.275	8.925	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408862556	GGQAZGKMYIBNBM-KULFSUQXSA-N	719.485	7.614	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1F	408867942	LRBKJFNHRKMHAI-KGENOOAVSA-N	515.382	7.175	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1Cc1ccccc1Cl	408874572	CAOIPVKZZTXYTP-RQZCQDPDSA-N	520.243	7.835	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2ccccc2)c(Br)c1	408878977	CBZHHTRLTZXYNE-GZTJUZNOSA-N	619.107	7.047	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1cc(C)cc(C)c1	408880717	IGSDHIRTYYVSNS-KEBDBYFISA-N	572.830	6.695	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408882630	PRVNBJWVAGANPC-ZVHZXABRSA-N	533.466	7.152	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccc(Br)cc1	408884300	WSECKKLNARQFOZ-LDADJPATSA-N	546.248	7.279	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1	408886193	FDESOMYBCAJPCW-QGOAFFKASA-N	524.314	5.065	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408886848	JFUQHPUPEATFCF-CPNJWEJPSA-N	606.270	7.138	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCc1c(Cl)cccc1Cl	408890010	MNJZEEOUNNAOSC-GZTJUZNOSA-N	512.349	6.343	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OCc1ccc(Cl)cc1	408891021	KASVIBIZOHHRTP-LICLKQGHSA-N	588.785	5.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1	408900891	YRZAEUCVFGSGCC-CAOOACKPSA-N	546.794	7.078	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408904097	DQKPFPINXLDRIT-NVJOKUIPSA-N	655.262	5.683	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904537	LCRSLAZXAMRBHI-ROTLSHHCSA-N	539.298	5.355	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c(OC)c1	408923715	KRIDDCGOJYMOFK-YGRCFMMQSA-N	811.457	6.304	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	408939835	BPEKMHFKVGESLM-WJOKGBTCSA-N	722.061	6.720	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OCC)c(OCc3ccccc3)cc2Br)c(OC)c1	408948145	CBMKERZMTMIUCO-OUIUOFGZSA-N	695.567	5.156	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	408952080	VHKPYZSRFCOYJH-LJAQVGFWSA-N	706.048	6.510	50	40	KKGB	
Cc1cccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1	408954849	NPTQCRLNPUCPJV-XYARCJHWSA-N	580.471	6.268	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1C#N	408963515	OFMAJKSYCXMKKV-VVEOGCPPSA-N	532.316	5.691	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408963663	IMZYCNQRJOWNEA-IKUTULSBSA-N	572.489	5.436	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408964783	DWRNMEDCKZBLGI-VPUKRXIYSA-N	551.199	6.118	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408993787	FUKQFBFXJOINRP-FJEPWZHXSA-N	690.275	6.019	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408995721	DJXCCKSXBMIKHH-FDAWAROLSA-N	597.540	5.137	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)Cc2ccccc2)cc1OC	408997166	LKPIZYNFICWTPL-CAQPMQTCSA-N	639.572	5.215	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409016612	QTSFPPHOTDPBLT-LEOKNCPESA-N	593.555	6.673	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1cccc(Cl)c1	409032386	CYJCBZDSTKWCGY-MWBNBJEGSA-N	662.009	8.711	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409043161	ZUIYICXAVRQVSV-AABVJFSESA-N	591.495	8.343	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409044627	HBGFAGVCWALEJO-HASSKWOGSA-N	576.483	8.705	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)c1	409046188	JCPBXPCBHNSHGZ-WOJGMQOQSA-N	524.802	5.974	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409080245	MLTRRPIKNYYHCI-VCHYOVAHSA-N	559.928	7.621	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1ccccc1	409085815	ZRXAOHPAZOZEPO-OVCLIPMQSA-N	545.143	6.884	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409117218	QOJXRPSHIZQHGN-CCVNUDIWSA-N	538.884	5.550	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1ccc(CC)cc1	409155170	CJNCWRMYQUHVKA-FABQOPTDSA-N	670.548	5.160	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C	409162838	INDMBAPNQWTLTI-XAZZYMPDSA-N	599.457	5.018	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(C)(=O)=O	409184344	KPUGPCIWXQXSOV-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1	409220416	YYNDACZGUMPACM-UHFFFAOYSA-N	545.517	6.249	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1cccc(C)c1	409221235	NCQASWDHWMCZPA-VFOSSOBBSA-N	552.412	5.972	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1	409222249	BGWBIPARDUMGTH-MNBJERMJSA-N	527.964	5.584	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409224187	JTKLXCLYVGEGEW-LQNQUEJISA-N	542.935	5.484	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409258413	UWXKSAKVGMPRAQ-MTJSOVHGSA-N	503.986	5.837	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409260034	JOYNGRPOVNVPBK-VHFSBPNMSA-N	684.616	7.723	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)cc1C	409261431	BTCWESPWDAMESK-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OC	409323054	MTUUBSCFJTVLMW-MBTHVWNTSA-N	572.412	5.506	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1OC	409324780	VNWOQQBERJZEPD-MUXKCCDJSA-N	658.752	5.970	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccccc1Cl	409372310	JYYWYWXEFHYEPO-ZMFRSBBQSA-N	532.778	5.291	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3cccc(C(F)(F)F)c3)[C@@H](OC(=O)c3cccc(C(F)(F)F)c3)C(=O)O)cc2)cc1	409376679	COCOFVMWZFZWCR-RRPNLBNLSA-N	745.585	5.582	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1cccc(F)c1	409385218	IMZKLBDIOJCCLC-KKMKTNMSSA-N	513.934	5.954	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1OCc1ccc(Cl)cc1	409386270	PDWIEWDNUKHGPO-OKCVXOCRSA-N	550.036	6.933	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccco1	409394447	AMVKKPBSYCYSCR-UHFFFAOYSA-N	676.148	8.243	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl	409395795	RVYLQKCOFMAPIQ-UHFFFAOYSA-N	784.210	9.677	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409395941	UGMHSKCSPXXPAS-UHFFFAOYSA-N	602.018	6.636	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409396157	WUJLLGJZFJNEKF-UHFFFAOYSA-N	746.799	9.058	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396731	ANFSZUBYDBZDGC-UHFFFAOYSA-N	651.890	8.085	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409396765	AXOLOUNAIVCDFG-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(F)cccc4c3-c3ccccc3)cc2OC)cc1OCC	409398652	UZPNDICFCWKAAG-UHFFFAOYSA-N	595.627	6.763	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4ccc5c(c4)OCO5)c4ccccc34)o2)cc1	409406425	WRVOAQZYCXTPDB-KOKCXWAISA-N	600.675	7.070	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1	409410296	UXKOALNKOLKOLN-LQNQUEJISA-N	524.533	6.198	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	1102419	WZFSYLPICMWQJX-SANMLTNESA-N	533.053	6.256	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccc(OC)c(OC)c1	1240865	HZFNHZHEVLTJLE-OCSSWDANSA-N	542.665	5.352	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	2096829	YJJWVAYQRWBNKF-KIICOGAESA-N	598.732	7.456	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1	9762919	RKPNJPJRUQZOAC-AFUMVMLFSA-N	502.206	5.483	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(C)cc3C)NC3=C2C(=O)CC(C)(C)C3)cc1	13297914	GQDYMPDAMNKIDZ-AREMUKBSSA-N	515.679	6.058	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1	59473700	HHCMNYSYPIKABQ-HVAQTUQNSA-N	503.451	6.602	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1c2ccccc2cc2ccccc12	59857126	OHTWWTRXWSJCCA-NDZAJKAJSA-N	538.585	5.247	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	97966759	XNKQNSDSSPNLBP-XJECJHNESA-N	652.991	7.725	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1cccc(Br)c1	100066498	NQWIXPWDNZOKBE-JVWAILMASA-N	540.874	5.983	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1cccc2ccccc12	100182340	CPLUOYRXOOBCAF-UAWZKIJCSA-N	521.455	6.466	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1C#N	100197699	IXCGHYBYYONZGM-HNSNBQBZSA-N	570.443	5.295	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	100239886	LZIFFSKBKINQJA-KCSSXMTESA-N	583.085	5.631	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	100876806	IOMSFXYLSCBLFC-PRFTXADPSA-N	524.429	6.067	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(NC(C)=O)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	102808331	HQQKNEZROMVIDY-MUUNZHRXSA-N	571.659	5.343	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCc1ccc(Br)cc1	102934549	MYKNHEISWATLTA-PDGQHHTCSA-N	531.328	6.601	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	103883549	CSYRVQNHGXNPQF-JCMHNJIXSA-N	624.435	5.043	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342185	YYTRCECDMFJVNC-REOHCLBHSA-N	942.051	11.564	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	164695881	LLPVEZASMACUJQ-STZFKDTASA-N	626.305	5.955	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)c1	164739213	GPTNKPWECGSHNF-MFOYZWKCSA-N	689.118	7.636	50	40	KKGB	
CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1	408540152	NUAAYYHJMWUBPE-GTWSWNCMSA-N	553.497	7.150	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1	408552160	OSOMXBGFBHLWDR-PXNMLYILSA-N	549.241	7.172	50	40	KKGB	
O=C(NNc1cccc(OCc2ccccc2Cl)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408604218	HTRXMUGVABANSF-KRWDZBQOSA-N	514.807	5.178	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408649032	XCPBFRQKOQGVJI-VPBXCIAMSA-N	781.679	6.484	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408649639	YSALTKXERQTFRF-IMWYJMLKSA-N	772.938	8.331	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(I)cc1	408710760	JFQGILXAYHGFFZ-UVHMKAGCSA-N	597.222	5.934	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408740679	LSDXWJFODPUQEH-PUHLOBNQSA-N	649.800	8.558	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)ccc1I	408746953	IKMQAVAOIZDLIZ-RPPGKUMJSA-N	583.195	5.544	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1	408762979	CXVVCOQHPHFPAA-GJDHUYHKSA-N	605.544	5.163	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)c1C	408784634	WFLLLOXEKOLKSM-ONUIUJJFSA-N	554.488	7.598	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408787973	HWXOVUXFHZTLDD-UDWIEESQSA-N	506.942	5.025	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccccc1F	408790308	VNEFKNDZPKRXFG-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1Cl	408794577	JRVXGLSQOHEQKU-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1	408808082	DBHRHVNMQPJKHK-OJYCWLPVSA-N	582.473	7.697	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408814450	RKHFFGATBYECAJ-HYARGMPZSA-N	531.439	7.978	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408821158	DBDYRGAKNVEEHK-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)c(OC)cc1Cl	408824264	HRPQIFAIEZSRJC-RQZCQDPDSA-N	528.348	6.043	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)cc1	408830106	NESPGGBQPOGJIZ-STKMKYKTSA-N	570.671	5.203	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408831367	ZMIFZLWHPFTIEX-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc(Br)c1OCc1ccccc1	408833280	XKWNVBQUTKJKNL-HPNXWYHWSA-N	627.583	6.118	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccccc1	408835874	YMVKJHCRRJVMHR-BUVRLJJBSA-N	559.449	7.706	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCC	408836150	ZMASKQRNRWBVLB-DEDYPNTBSA-N	555.856	7.025	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408838362	DTERJIRNAOHSGQ-YLYVUXRMSA-N	730.899	10.018	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1cccc(C)c1	408840122	XRNBPMJBAAEYOE-IZYHBKOJSA-N	723.036	8.862	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408841902	HCKTUZVUSXFZGS-PUHLOBNQSA-N	756.816	8.223	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408846392	SEFIMXUKNZVYEG-RPUDKEGQSA-N	740.343	7.416	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cc2ccccc2o1	408850739	DKTSEPRDIWQAHI-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(I)cc2)o1)c1cc2cc(Br)ccc2o1	408853795	SEYQUQACOBUPPD-KSEXSDGBSA-N	535.135	5.824	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408869958	UOMDCGPRGCTKGV-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1Cc1cccc(F)c1	408876598	QJNGVTUVSOWHJI-YBFXNURJSA-N	556.375	5.974	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Br)c2)cc1	408882500	QIPYZTUVGOXDFW-DEDYPNTBSA-N	540.255	6.747	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1	408882754	QOWFXBNAWQZMPU-FDAWAROLSA-N	549.852	6.068	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cccc(I)c1	408883559	TZMTYBNXQVNLBX-BRJLIKDPSA-N	708.075	5.843	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1C	408886013	CRZDTJMMQNBCNK-YBFXNURJSA-N	556.254	6.653	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(I)c1	408886932	KFFHYPFIQJWCRW-LZYBPNLTSA-N	583.640	7.376	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OC	408888817	BHBWEMFXEFVJGA-LDADJPATSA-N	510.331	5.563	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(Br)c1	408924981	PVJXUFKHDODSIM-GZTJUZNOSA-N	547.678	7.127	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(I)cc2)c(OC)c1	408943202	HGFNMGPHIZGDME-MUUNZHRXSA-N	840.478	5.368	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1cccc2ccccc12	408945882	LTOHBUMAKBGHEG-DHUJRADRSA-N	678.811	6.041	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)c(OC)c1	408953608	MFLNLBHJFSIUQM-GYWOIVEESA-N	665.747	5.402	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	408974072	WRKAPGQHFJRTQE-OWMMMZGJSA-N	658.174	5.869	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1)c1ccccc1	408982850	ZMPUHIDNFQOISG-IAEWTUJKSA-N	517.626	5.527	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409011534	GATBEHQFBCDVEE-HOKMHICDSA-N	530.452	5.930	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c3ccccc32)c1	409012500	IKLJSXLHAFCYMJ-RNCBQZHBSA-N	641.599	7.258	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	409029672	ADKFJFVJUOMHGC-XMHGGMMESA-N	554.002	5.594	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(OCc2ccc(Cl)c(Cl)c2)c1	409036067	LBIJKDHOOOTOSF-FDALDRLYSA-N	597.546	8.398	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2I)cc1	409044499	GSGZHVKERACVNK-HQDYHJHZSA-N	676.352	7.920	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1Cl	409045037	XSIYGQQIWYZUDA-LZYBPNLTSA-N	581.091	7.643	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)c(C)c1	409066688	PGSALJDEVDIYIF-LDADJPATSA-N	545.842	6.033	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCc1ccc(Cl)cc1Cl	409069325	IMVKMQYAMXPRFU-YDZHTSKRSA-N	521.444	7.472	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	409075597	XLIVDAWGGKXPSU-RQZCQDPDSA-N	574.200	6.174	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1c(C)cccc1C	409158718	YNJOFNLGOXXJGY-AMVVHIIESA-N	557.434	5.115	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1cc(C)ccc1C	409170064	SGVSLQZMNZYMPS-AMVVHIIESA-N	557.434	5.115	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	409183939	GKSOVVIUUQRCOU-VTNSRFBWSA-N	643.991	6.173	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	409228029	SSLHJRKPNSPMAB-KKJJZKEWSA-N	525.830	6.474	50	40	KKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	409229932	AZCPPGZSUFGZEE-ATVHPVEESA-N	522.914	6.498	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409249490	IRBBVXWHRFPZKG-XPQKFAFDSA-N	554.474	6.037	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409257466	PDZHMOZXJALUEP-QDTIIGTASA-N	589.830	5.499	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)cc(Br)c4OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)cs2)cc1	409262379	IFGAPKCRYLKPPK-FDUMAKPYSA-N	767.931	9.130	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccccc4OCC(=O)Nc4ccccc4C)cc3)cs2)cc1	409263591	IBLSCFUJJCSYKR-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1OCC	409310555	AVKNNUZXTDVQJB-NUJZUDFISA-N	655.181	7.114	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409365711	WGQIYEYYEXRAKU-ODQASSKESA-N	708.997	7.899	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c1	409368430	VIGFVNHBAQPGFX-UVHMKAGCSA-N	580.806	5.313	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(F)c2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409369065	ZVFFSNKYPUZEOG-DBFSUHOCSA-N	536.456	5.399	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccccc1F	409374951	CBDHHDOKJGADRW-YVLHZVERSA-N	572.818	6.203	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCC(=O)Nc1ccccc1	409382134	YLFYDRMQARVZLW-PDGQHHTCSA-N	536.382	5.117	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC	409383038	TWHKCMZEMUQSKI-UNOMPAQXSA-N	505.958	5.229	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395309	MDOFFJLZPQXUFW-UHFFFAOYSA-N	596.437	6.618	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)c1	409395988	UVRCLAVEAYJHQK-UHFFFAOYSA-N	655.763	8.849	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc5c(c4)OCO5)c(OC)c3)[nH]c12	409397002	DWPRRQCIATZFDE-UHFFFAOYSA-N	561.594	6.118	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397685	MSMIZDGGLDVEPA-UHFFFAOYSA-N	636.424	7.608	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1O[C@@H](C)C(=O)OC	409402840	LFKZIOADKQTYJA-LIZYOPNSSA-N	685.515	5.974	50	40	KKGB	
Cc1ccc(COc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc(Cl)cc2[N+](=O)[O-])cc1	409405713	UVLGQEBKHDRQKN-AEUUOICLSA-N	613.070	7.479	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1C	1529548867	WVTRRLZTODGWDG-FPXTWSFBSA-N	720.679	6.865	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(-c2ccccc2)cc1	1804691	AWDBAMVKAHEVEQ-ZCTHSVRISA-N	568.500	6.606	50	40	KKGB	
N#CC1=C(SCc2ccccc2)N[C@](OC(=O)c2ccccc2)(c2ccccc2)C[C@H]1c1ccccc1Cl	3670798	VGRKCIHVRJNNFH-QVWWMRLHSA-N	537.084	7.795	50	40	KKGB	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)NNC(=O)C3CCCCC3)n2-c2ccc(F)cc2)cc1	6075546	WNRWENAYXRIABA-UHFFFAOYSA-N	509.651	5.191	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136369	DYSIKSRHWFWIRQ-QNBQWMASSA-N	511.987	6.550	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(C)cc3)cc2)sc2c1CC[C@@H](C)C2	6167502	OIRZFEVIMQKAAJ-YGIXPVKMSA-N	547.677	5.528	50	40	KKGB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=CC(C#N)=CN12	8691474	BAHWTZLXOWHIGV-XPWALMASSA-N	515.407	5.244	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	14407512	FLHZQQPGKJMYDS-WYMPLXKRSA-N	502.321	5.000	50	40	KKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(-c2ccc3nc(C)sc3c2)cc1	16756386	FUNJKLJZAPPNEP-UHFFFAOYSA-N	502.668	8.486	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2sccc2C)cc1	20233104	ZULUOAXHOOYZJN-MTDXEUNCSA-N	519.648	5.225	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1C#N	33919062	PLWGBTFVAGVOJS-FDVSRXAVSA-N	518.367	5.809	50	40	KKGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	33921981	CJOYDLIVWDNREM-ICJBUHSESA-N	509.433	6.764	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1ccc(SSc2ccc(NC(=O)CCCCCCCCCCC)cc2)cc1	43361920	IDJUDSPIWBZZKZ-UHFFFAOYSA-N	612.990	12.205	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	97950991	HKLNJHQVEKMZJO-SANMLTNESA-N	533.053	6.256	50	40	KKGB	
Br[C@H]1CC[C@H](Br)[C@H](Br)CC[C@@H](Br)[C@H](Br)CC[C@H]1Br	97978722	DEIGXXQKDWULML-MOCCIAMBSA-N	641.700	6.922	50	40	KKGB	in-vitro
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccccc1	100103084	LEOWLPWPYVVWRE-KBVAKVRCSA-N	562.047	5.537	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2cc(Cl)ccc2OC)cc1OC	100304328	LZLVNOTWMVAYRX-KCSSXMTESA-N	611.120	5.119	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	100379425	RMWDJPZQWCEHGU-ZCTHSVRISA-N	548.064	5.649	50	40	KKGB	
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1c(C[C@H](Br)CBr)cc2c(C)cc(=O)oc2c1C	100703167	KHQDREDSZQHPLL-VOWSPCBNSA-N	603.348	5.956	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)OCC)=C(c3ccccc3)N2)cc1	101305205	VYWATVMDMVWKPO-LJAQVGFWSA-N	586.157	7.451	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cc(Cl)ccc2Cl)=C(C#N)[C@H]1c1ccco1	101305313	IIEMXQQQMSEWNX-QHCPKHFHSA-N	554.455	6.355	50	40	KKGB	
Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)cc1	102922117	IFWXKCVCZAMUQB-NKFKGCMQSA-N	540.623	6.077	50	40	KKGB	
C[C@H]1[C@@H](c2ccccc2)N1P(I)(c1ccccc1)(c1ccccc1)c1ccccc1	104127956	KDYIGQMLDMMTBN-UCWKTWOXSA-N	521.382	6.227	50	40	KKGB	
CCOc1ccc(/N=N\c2ccc3oc(=O)c(/C(C)=N\NC(=O)CC(=O)Nc4cccc(OC)c4)cc3c2)cc1	104292094	ZKILCDDOIQBBKU-CXYLEXIGSA-N	541.564	5.485	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1	104403265	OYYNWNFSGNEFOG-RWPZCVJISA-N	531.834	6.243	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342245	IAYPXDJRHSYPJU-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
CC(C)[C@]1(Cl)[C@@H]2C[C@H]3[C@](CC[C@H]4[C@](C)(C(=O)Cl)CCC[C@@]34C)(C1(Cl)Cl)[C@](Cl)(C(=O)Cl)[C@]2(Cl)C(=O)Cl	150382874	XBKUMJWVPGNMBM-HTDDKCMHSA-N	648.109	8.288	50	40	KKGB	
COc1ccc([C@H]2[C@H](C(=O)OCc3ccccc3)/C(=N\NC(=O)c3ccccc3O)C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1	150389648	XZIIAFVBBJPEML-YPTUTHQKSA-N	636.701	5.144	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccccc1[N+](=O)[O-])N2	229854123	IHFQDNXQXWDGJI-FUWIRAOVSA-N	539.013	6.500	50	40	KKGB	
CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1	301054972	RJCWBNBKOKFWNY-JWFYCSCASA-N	554.722	6.730	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408541328	CGQMRLNNQWGOOC-IUXPMGMMSA-N	668.200	5.858	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OCc1ccccc1Cl	408542408	IQNAKHLXGWJJAH-VXLYETTFSA-N	569.830	7.090	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	408606405	LXIYLFARGMCOEN-AWEZNQCLSA-N	522.791	5.861	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1C	408609006	YAXARDFQDNCVHZ-FYJGNVAPSA-N	525.565	5.877	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408653335	PNJVJEXTVQHKSV-WGXFHILCSA-N	759.791	5.485	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1	408653882	QBPCRQURPWCFDB-ONBABHLOSA-N	764.876	5.434	50	40	KKGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)c1nc2ccccc2n1Cc1c(F)cccc1Cl	408719939	UASBPBDLCNPAJR-OVCLIPMQSA-N	510.750	6.432	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2I)cc1	408740408	BVLJQFGQKSVMIZ-ODLFYWEKSA-N	573.228	6.487	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)cc1	408744925	IHLUWMXDIIVECS-WQRHYEAKSA-N	572.253	6.353	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1	408746526	ZSGDGGMBUZZFIB-PTNGSMBKSA-N	532.272	6.714	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408746908	HPGIJTCAOQGLOT-XKZIYDEJSA-N	609.261	7.332	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)ccc1I	408747376	NADJSCINTZDTPZ-HWIUFGAZSA-N	597.456	7.188	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)ccc1I	408747469	OJKNMYJEXJNGJB-LUOAPIJWSA-N	589.644	6.603	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2Br)c1	408758706	PONRZVCPSSUAAL-NVMNQCDNSA-N	605.124	7.407	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Cl)cc1Cl	408765282	VBJPZYWCGBOKPK-VVEOGCPPSA-N	607.129	8.015	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408787678	DMZIERMLWCNVNC-YBFXNURJSA-N	663.160	7.275	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408788555	LCHINEPVRYJTTR-YBFXNURJSA-N	522.355	5.799	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408791872	DOFDVFVMRNEJBS-FYJGNVAPSA-N	539.857	7.188	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408810524	JMFBKMWZNWFVOO-MADUDMRMSA-N	653.006	7.657	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408823090	CLOREFHSKZMYSL-HZQMBONKSA-N	765.310	5.725	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(C)ccc3C)o2)cc1	408834353	WBTNAOLEYRZUMC-KYHGBAKBSA-N	593.105	5.338	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408840344	ATQHIHRHPDHHBK-RPPGKUMJSA-N	513.362	6.133	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408842030	NIVPZDBMTUUDBE-QNKGDIEWSA-N	571.699	5.627	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1	408843202	DZPAFQVPTFZCNP-VYYCAZPPSA-N	538.354	5.845	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1	408845739	RIYUYBBQJXOUGC-WHQPAHRZSA-N	648.321	8.791	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2ccc(C)cc2)cc1Br	408860451	VYNKCXSTHNJQCP-KBVAKVRCSA-N	592.515	5.364	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1	408869748	TTYPFNGUDUVDRX-YDZHTSKRSA-N	502.998	6.279	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(Cl)c1	408870238	VOZQXYADRVSMGE-CAOOACKPSA-N	565.773	7.255	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408875623	KTXGNHNZNCXNCW-VXLYETTFSA-N	515.824	7.342	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(F)c1	408880062	GURQJZNQMGTRLD-CAOOACKPSA-N	596.318	6.582	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(I)c1	408880359	HMKOFXOSTRRYHR-CPNJWEJPSA-N	623.244	6.972	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408883962	XJCVANGZCSBEPD-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1[N+](=O)[O-]	408892457	ZNXDORVIVBFQFY-LFIBNONCSA-N	532.361	5.523	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1cccc([N+](=O)[O-])c1	408904614	MEWIRGQVRXIPBJ-WGARJPEWSA-N	527.375	5.799	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)c(OC)c1	408957153	SLDATFWJZIAELD-HVJLQFNCSA-N	703.949	5.549	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408966021	MLRXANAKSXCMFT-IPPBACCNSA-N	642.406	5.434	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c(F)c1	408968549	XCCHQRRAOJCCHF-LUOAPIJWSA-N	670.176	5.158	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1	408970813	KPUXPALSJQRYDL-JJIBRWJFSA-N	533.068	6.717	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1C#N	408970903	AJIHHQSNDWUMEU-HKFDNIFMSA-N	738.466	7.250	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)n1	408976230	DZJFRIXKMHIUEJ-VCHYOVAHSA-N	515.205	5.851	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc2c(c1)OCO2	408984365	QDJZRHFLBFSASG-DJKKODMXSA-N	569.839	6.663	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5C)cc4s3)c([N+](=O)[O-])c2)cc1	408989852	JCDKFOHZIXOSIM-PXLXIMEGSA-N	605.701	7.771	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	409001478	IQRMHWLGRNQMDP-ROPCREHHSA-N	690.175	7.754	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409015559	ODZMLUXNNDRODR-UHBFCERESA-N	533.968	6.465	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc(Cl)ccc2o1	409017229	LRSUYBUSUBOOQC-FXMZOFOKSA-N	552.639	7.498	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409032662	MEQHBOQVJFHVBU-DPNNOFEESA-N	570.874	7.661	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409041114	ZFEUZFLWKVNXEJ-DLCNMLRHSA-N	560.868	8.205	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)cc1	409049537	WFIDUBGSIDQLNE-HYARGMPZSA-N	517.412	7.670	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409076511	BBJUQOXPOMLYMT-LDADJPATSA-N	534.912	6.231	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2)c(I)c1	409084647	PWCNCFJOVKOFOW-WQRHYEAKSA-N	636.227	6.029	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409116881	MITKGJYTCDXSMX-ATZGPIRCSA-N	638.146	5.935	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(Cl)cc1	409131921	ZDJKDQYQASZRIC-SANMLTNESA-N	614.968	6.463	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2c(C)cc(C)cc2C)c(OCC)c1	409154343	NRJUIRCBORAMEI-KPGMTVGESA-N	672.520	5.120	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1	409154546	OLPZDWQVXSNQGL-AMVVHIIESA-N	648.885	5.066	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)c1C#N	409195616	RCNFPGGZKUPMKF-HCNMGLPWSA-N	693.336	5.200	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409199824	FBBIDGFWINMBRC-NVMNQCDNSA-N	548.220	7.706	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br	409202581	RSKQTSLDDOCTJN-KVSWJAHQSA-N	549.277	6.449	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	409212634	RCYOWKBXMBFNKE-AMVVHIIESA-N	618.778	7.840	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1	409222480	DEYLICBHBDGRSI-UHFFFAOYSA-N	730.207	7.218	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409223114	GWBZOSJJPHMIJZ-NGUPNNDWSA-N	568.973	5.883	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2ccccc2)cc1	409226345	VFNFKHWVFCAPKG-ZUJXMSAPSA-N	548.555	5.159	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1	409257120	QRIOFAXQBGBXRL-ZMFRSBBQSA-N	545.231	5.301	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409260146	LMEGIDLDSQSDAI-GZTJUZNOSA-N	526.376	5.661	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)cc1C	409265257	UAMASFCBIRJMFY-VCHYOVAHSA-N	510.377	5.879	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1	409311236	DYNPIAXSJBNRHQ-UXHICEINSA-N	677.293	5.349	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409313241	IHCGYLFPBVFXNJ-KYHGBAKBSA-N	615.491	6.121	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@H]1c1cccc(Br)c1	409316572	YSFWOPHGMKWEIC-YADHBBJMSA-N	507.409	5.273	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1OC	409319979	OGVKWNFJODEJAO-WKIKZPBSSA-N	607.255	5.870	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC	409326214	IJJYNKDJPAHDSR-QQXSKIMKSA-N	508.487	5.247	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1	409366740	XVLPHLCEZCYVBQ-OCKHKDLRSA-N	559.787	6.715	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1	409374171	ZOSHPRSVZMPUKR-ZRGSRPPYSA-N	537.197	5.936	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)Sc1nc2ccccc2s1	409383783	HATJSMMNUAHNMH-RQZCQDPDSA-N	592.765	8.710	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409384023	WNBJRAOBKMIKPO-MZFJOGFUSA-N	651.457	5.563	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409397143	GUEWLMCIKUQMMU-UHFFFAOYSA-N	606.893	8.177	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409397830	OMKHXSDLDVMKQE-UHFFFAOYSA-N	664.297	7.185	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409397931	POBPNOOGGJJXCI-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC(=O)Nc1ccccc1F	409399881	ACNBLXACNDNDQG-BOABNOFISA-N	664.734	7.314	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409402794	LAPVTZRYDPHABM-ACXHZZMFSA-N	538.431	6.902	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OC(C)C	409405710	UUHDAVMRQKVJLO-ACXHZZMFSA-N	580.479	6.588	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc4c(c3)OCO4)o2)cc1	409406987	YJVUYKKGFFRRHT-QMRORBIVSA-N	642.506	7.100	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1	1529545826	BKSPWDLRJLRXSH-MMVATDKPSA-N	760.461	5.404	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	1305060	UPEAJFILABEQJZ-HHHXNRCGSA-N	512.635	5.911	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	2107624	GAVCTEAUCXGDSL-YNFJBHDRSA-N	547.080	5.108	50	40	KKGB	biogenic
COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1	2276573	LGKKZDRTRWLQAI-PYJLEYFYSA-N	539.705	6.456	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196232	IMQOSJVZJDWAGY-CAOOACKPSA-N	568.092	8.170	50	40	KKGB	
N#C/C(=C\Nc1ccc2ccccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	9044376	IHHPCCNMDZIJIE-QGOAFFKASA-N	500.377	6.809	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1	9934549	NTUIQTYQRZRBGU-VPUKRXIYSA-N	501.719	7.009	50	40	KKGB	
COc1cc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)ccc1OCc1ccccc1	12251035	YOQVFWANLXUBRR-HSZRJFAPSA-N	518.038	6.147	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(=O)O)cc2)=C(C#N)[C@H]1c1cccs1	17466023	JMXFVENWHKJJRD-VWLOTQADSA-N	560.657	5.161	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1	30735463	SINUCFOKCRQZAW-CFRMEGHHSA-N	506.122	5.572	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(Br)cc1	59383049	PEYHEYLTDXDWAP-UXHLAJHPSA-N	517.423	6.273	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	97951898	QDHDHTBXPKOEAF-QHCPKHFHSA-N	532.449	5.251	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1	97961010	ZYLKWZOXKJYPMV-ZCTHSVRISA-N	545.433	5.423	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1	100119052	GCJRFIZPUWOQIU-AMEZEBJKSA-N	543.092	6.286	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl	100398344	HWWZXGGADCNXMP-JFLMPSFJSA-N	524.857	5.031	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	100406638	PZSADLNMQRAISU-KPGMTVGESA-N	575.996	5.960	50	40	KKGB	
CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1Cl	101372707	JQDKMUUCTZEICT-QHCPKHFHSA-N	527.429	6.551	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl	101562993	JPUKVEQBTDFPMM-VWLOTQADSA-N	598.939	7.415	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	102160729	BFXCBDYDIVOFRO-MHZLTWQESA-N	544.633	5.312	50	40	KKGB	
CC1(C)CC2=NC(SCC(=O)c3ccccc3)=C(C#N)[C@@H](c3ccc(Br)cc3)C2=C(O)C1	102564977	NCBQRUABAYXSEX-HSZRJFAPSA-N	507.453	6.971	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1ccc(OC)cc1	102932824	GOWCZHYOYLFMEB-LICLKQGHSA-N	600.809	6.183	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1	102933823	CIZUOXUFVNWKMT-KGENOOAVSA-N	528.362	6.635	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(Br)cc3)Nc3c(Cl)cc(Cl)cc3[C@@H]2[C@H]1Cl	102975240	CQXFVUIYAGMTLY-GXPUJQSHSA-N	584.750	8.703	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1ccc(Br)cc1	103843666	DCEBUVHQHQSRNP-BHGWPJFGSA-N	601.080	5.988	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(I)c1OCc1ccc(Cl)cc1	105823239	KDJWOYLRPRJZAC-YBFXNURJSA-N	607.839	6.236	50	40	KKGB	
C[C@H](Cl)CN(Cc1c(O)c(CN(C[C@H](C)Cl)C[C@@H](C)Cl)c(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)c1O)C[C@@H](C)Cl	150367846	RSJKZZQPLRISQV-HETMTNPWSA-N	672.393	6.973	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	197691953	ZXRVHDCFSMYTKG-UHFFFAOYSA-N	546.586	6.807	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccccc1	408536821	BGJSHCPKQJVVBI-WSBIKYRQSA-N	689.237	9.528	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccccc1C#N	408542966	MJVNWMRRSPAIBD-FBHDLOMBSA-N	501.926	5.433	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	408567660	GBEZDOOETIVLGK-ROTLSHHCSA-N	503.001	5.306	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OC)c1OCc1ccc(Br)cc1	408570789	YOTUZURAWOWSLB-KBVAKVRCSA-N	613.599	6.773	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1	408581042	SYAQGNBRLBKBOR-MHWRWJLKSA-N	523.235	6.896	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1	408585409	DBLIGXLNPPOJJG-GRSHGNNSSA-N	503.223	7.798	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1	408718545	WXDWLVXFEJEHBD-LQKURTRISA-N	522.399	5.417	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	408719449	FFGXRBXTGPWWSJ-MZJWZYIUSA-N	585.307	5.500	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1ccccc1	408731450	MPMWXFLLBRKMHK-ZZRZHNFNSA-N	547.614	5.806	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408742797	CBFVDFJBKZJGNW-IWIPYMOSSA-N	604.444	6.976	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408746031	WQLLYCOXCYRKBJ-GRSHGNNSSA-N	522.355	5.799	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1I	408746836	WJWDRCBKELOIAZ-DHDCSXOGSA-N	551.178	5.010	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)C(=O)Nc1ccc(I)cc1	408761792	BOQITZRQDPZDKJ-LGMDPLHJSA-N	649.226	5.459	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408783014	LYJVWXNBXLEVCN-WJDWOHSUSA-N	508.874	5.893	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408783315	MNEBOXGVDGSYIU-OVVQPSECSA-N	548.890	5.455	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408792787	CFOAFJUQAKWIOU-VIZOYTHASA-N	720.088	7.235	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccccc1F	408793499	PGCPCCRNAXLNBL-BUVRLJJBSA-N	634.445	7.143	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2I)cc1	408796939	PTZRYBQDFCBJKI-LPYMAVHISA-N	522.386	6.341	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1ccccc1	408799471	ZKRLEBUGNHJRDF-LDADJPATSA-N	559.201	6.178	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408799631	ZSHAZFYSCJYAAS-XIEYBQDHSA-N	586.429	6.995	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1c(C)ccc2ccccc12	408800318	LWMNNWPGQKKNDQ-MFKUBSTISA-N	569.499	8.051	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408808349	FVMGEUHDWIDSIL-ZMFRSBBQSA-N	571.327	5.297	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(C)c(C)c1	408814907	SNXPNVYSLASYOD-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2cccc(Cl)c2C)cc1	408826411	GLPRXZYBOJOTFG-KBVAKVRCSA-N	532.065	5.554	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408828228	LFBDDOQUWOCOER-MWBNBJEGSA-N	645.059	5.722	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c2ccc(Cl)cc2C)cc1	408832550	ZNECGAUXKHBBLH-HNSNBQBZSA-N	611.164	5.130	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCC	408833371	JPPXWPQLNGZSJX-HYARGMPZSA-N	535.438	6.680	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1cccc2ccccc12	408834057	SSQOCSRIGCXHQB-NDZAJKAJSA-N	647.569	9.013	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838552	GCEJZHDQAWJUKC-CHSHITCJSA-N	612.158	9.127	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC#N	408839844	WTFQTQZOSXYRMQ-FJEPWZHXSA-N	532.025	6.190	50	40	KKGB	
O=C(N/N=C/c1cccc(Br)c1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408840469	YXYHUUPKZKITTM-LGJNPRDNSA-N	512.816	6.333	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(C)c1OCc1ccc(Cl)cc1Cl	408850754	DUHXLQIBFGIITB-GIJQJNRQSA-N	520.243	8.042	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl	408851952	ODVAOBFVRZCCNO-BIKKEBSBSA-N	638.993	8.940	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4cccc(Cl)c4)c3C)sc3c2CCCC3)cc1	408854307	CDGWJDKXJDRARF-KYHGBAKBSA-N	560.123	7.404	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1	408857733	WFOPUEBTDLGNRE-QHDYCIAZSA-N	544.655	6.801	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1	408858082	JIXPUHFQADSNOH-MHDJOFBISA-N	607.957	7.643	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)c(Br)cc1OCc1ccc(F)cc1	408858611	QUUMPYSTDKHLGE-MZJWZYIUSA-N	501.352	5.338	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408859911	VLCFVERTPAXZTC-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1	408867229	KFDLPEDETNWHHE-HNSNBQBZSA-N	621.115	5.096	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408873528	VKDDUSAGLAYVTQ-XZYGTATASA-N	640.589	6.934	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408884146	SVJKTWBUEFKGEH-RGVLZGJSSA-N	538.385	5.759	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl	408890553	VNOLUUBADANRKF-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc(C(C)(C)C)c1O	408893796	FSHGVWUKLAMJMO-HNSNBQBZSA-N	521.101	7.303	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccc(C)cc1	408894577	JQNFQHKFMMCEGX-YBFXNURJSA-N	603.254	6.495	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2F)c(OCC)c1	408953291	XJGADLLWCPQXJP-GDLZYMKVSA-N	746.599	5.293	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N\NC(=O)c5ccc(Cl)cc5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	408958433	YTXIJYGFMIKVJL-XYARCJHWSA-N	580.471	6.268	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408960732	IHXKGPUMIGIFJB-RPPGKUMJSA-N	512.291	5.586	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408964370	RASKPGHVLNGBGA-VPUKRXIYSA-N	574.166	6.712	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1C#N	408965190	UKROZSHJESJOLP-XAZZYMPDSA-N	546.343	6.081	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1	408969720	SKRJGOZODKXVHR-JPXOHXSUSA-N	746.429	6.831	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408971004	FQIQAUIUDHIGTA-NRKANSFZSA-N	521.489	5.288	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408979594	NBZNRURYAPVBCW-UJEJHLKSSA-N	506.389	6.265	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1	408983925	OLRWFIHPXWTMGM-MFOYZWKCSA-N	686.569	7.903	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1Cl	408989603	UFVNYQSQVLQMEE-SOFYXZRVSA-N	629.563	8.605	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OCC#N	409010654	DBDPOBNEVFHQFD-APNLOGHKSA-N	597.499	5.331	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1	409011718	HHZYGOAUNCOKQG-RPEFZEJZSA-N	653.691	6.478	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(OC)c1	409012062	HJLSRNAQFUSSCA-SNIWZMTHSA-N	551.515	5.297	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409019030	XVCAXLCDBFKUPH-KCQOPNMNSA-N	657.811	7.767	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cl	409030032	BSNSOIWHKGSLFF-AEUUOICLSA-N	551.433	7.423	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409035074	ITAZBKMXLGPTOQ-KVAAJVFYSA-N	560.868	8.205	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1cccc(C)c1	409041795	JWMWPTXTTWPNOC-FZKWRIDDSA-N	580.482	7.324	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4cc(Cl)ccc4C)C(=O)[C@H]23)o1	409043194	YCBNVFIJEQAVIP-AWYXSTPUSA-N	550.014	5.516	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	409065845	NUSMIRQOVDBJCM-RVDMUPIBSA-N	533.787	5.121	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C2=C1CCCC2=O	409132464	OSAYRENXJPBFRX-OAQYLSRUSA-N	588.256	5.429	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409150169	AOYDVLJJGDJGFV-IPPBACCNSA-N	571.859	5.080	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)cc2C)cc1	409154688	HHLHGLYMNQTXAZ-OCSSWDANSA-N	581.467	5.043	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(C#N)cc2)c(OC)c1	409162569	XGOFXMNECNYYOQ-RGVLZGJSSA-N	518.367	5.463	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1	409167094	GTAVLWDCUZBWFE-VWJSQJICSA-N	660.363	5.011	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	409169155	PESURZQKKYDNMC-OKCVXOCRSA-N	601.885	5.388	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl	409169933	RTSDILBRRFTFRD-VPUKRXIYSA-N	612.239	5.010	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)cc2c1	409186433	BYNCGYKSKHZCGH-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1	409191371	GDLWFXPBOKFPPF-CVKSISIWSA-N	506.975	5.442	50	40	KKGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)c3cc4c(ccc5ccccc54)o3)cc2)cc1	409206268	SJCWKXKKEZXXSL-LJUMEUDFSA-N	505.530	5.454	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1	409214853	ZJIULAXFZOMEPI-WKULSOCRSA-N	586.882	6.919	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c2)c1	409219088	IVGQXLUJQFZYON-UHFFFAOYSA-N	606.860	6.347	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409221771	AIGXKZYRQWAXBU-XDHOZWIPSA-N	507.949	5.749	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409227359	YANCCGPIUXZYEF-UHFFFAOYSA-N	640.605	5.163	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1C	409256551	LZBGKBIDZLRKOA-ODLFYWEKSA-N	538.829	6.283	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409256657	PXYBNNLDWBFJDS-WSDLNYQXSA-N	548.437	5.315	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(C)cc2)cc1	409259469	ZNQBHIUBOKXGGE-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl	409263083	LMPKRJIJZWTZIO-UHFFFAOYSA-N	615.476	8.114	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OCC)c2)cc1	409266806	YOVUMSPLICIBLR-XQNSMLJCSA-N	513.594	5.664	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1	409313884	JIBQAVRRXJQYIQ-RBUKOAKNSA-N	556.265	5.436	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)ccc1OCc1ccccc1	409317802	VWIXSVVEBSQMRQ-BJUCDSOZSA-N	642.319	7.281	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409325296	XUFPONZCWVDBHI-LJUMEUDFSA-N	636.914	6.874	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1OC	409332854	NELGUSHGEBZKRB-NUJZUDFISA-N	592.259	6.267	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(Br)cc3Br)c2C)cc1	409335601	KPYGZLNVMFZTCR-ZMFRSBBQSA-N	549.263	5.547	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409348057	OPFJDRXDEJITRD-XODNFHPESA-N	606.271	5.660	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OCC)c1OCc1cccc2ccccc12	409373787	VRKBXZFJUUFROJ-RGXNXFOYSA-N	523.589	6.147	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2s1	409384677	FFXPEYJXPLQYRU-FSJBWODESA-N	507.440	5.182	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1OC	409387664	PEBWDPCCMGGQEO-ODNPBWNPSA-N	656.164	7.396	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)c1	409395329	MIBKAMUEJIROKB-UHFFFAOYSA-N	611.496	6.655	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)cc1	409395600	PPTWSHDFPHBDNO-UHFFFAOYSA-N	695.795	8.313	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409398125	QVBMUBOPLHFNLR-UHFFFAOYSA-N	555.993	7.009	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398470	TYUHRSUZUFTLHB-UHFFFAOYSA-N	590.438	7.663	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409399301	ZESAOJSFXFQOAX-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccc(Cl)cc4)o3)o2)cc1	409406156	ANTWPPVSPBVQRU-LJUMEUDFSA-N	513.981	6.943	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)o2)cc1	409407243	ZEQFNEYNGKRJNE-AEUUOICLSA-N	588.491	7.916	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(OCC)c1	1529548232	BHHNNPOMEMKXIX-RNMNIPMUSA-N	807.505	5.916	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1	1790520	VAHIQGXNWQZIRI-MZOFLMDJSA-N	556.902	6.432	50	40	KKGB	
Cc1ccc(C(=O)[C@@H](Br)[C@@H](Br)c2cc(Br)cc3c2OCOC3)c(O)c1	2344864	KYINFNHUCDGKGC-HOTGVXAUSA-N	535.026	5.412	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	3067224	LRSQKNAWTBKKPG-OCHFTUDZSA-N	531.490	5.478	50	40	KKGB	
Cc1nc(/C(C#N)=C/c2ccc(F)cc2)sc1/N=N/c1c(Br)cc(Br)cc1Br	4292654	ODWHTTOMSPNZFV-DKFREQHHSA-N	585.094	8.358	50	40	KKGB	
COc1cc(/C=C/C(=N/NC(=O)c2ccccc2)c2sc(Nc3ccc(Cl)c(Cl)c3)nc2C)ccc1O	8653416	ZATAOEBGRWUVMS-YFPJYJGSSA-N	553.471	7.064	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccccc1Cl	13895573	YBDPWRSTRDYATE-JVWAILMASA-N	502.471	6.390	50	40	KKGB	
N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1	20528812	BSMLWKFBNMAXHE-QNLDRXPYSA-N	500.429	6.655	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	27369958	PRHAYSOLCRGVMG-WEMUVCOSSA-N	500.558	6.412	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	58916754	RBKQKEJQPYZKAT-YMFOOSGCSA-N	516.110	7.249	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1	59445092	JPPPEQZWJRMPNL-LGJNPRDNSA-N	503.780	5.219	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1	97950985	HCYWKQZFDUIIIH-HHHXNRCGSA-N	528.703	6.326	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2OC)=C(C)N1	97951605	JAALDAUQZGRTIT-MHZLTWQESA-N	544.702	6.026	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1	97964150	PGLDMPNLNQXJHW-FUHUKEDJSA-N	539.613	5.287	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1	97965512	GYZLOIKFCGYKSR-YBFXNURJSA-N	556.254	6.735	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H](Br)[C@@H](Br)P(=O)(c1ccccc1)c1ccccc1	97983309	GAJAHEWFSZKLSU-WMPKNSHKSA-N	588.216	6.457	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1	97999388	WSWLCDOUULEIPV-DEOSSOPVSA-N	560.503	6.412	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc(Br)c1OCc1ccc(Cl)cc1Cl	100067875	HKAFRWWMXCFRHU-GIDUJCDVSA-N	563.239	5.050	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1C	100102264	KZDJIFXMCBHKMP-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	100129419	GEMSMBKVOMGTPY-LJUMEUDFSA-N	569.514	5.742	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1Br	100396950	CPZVEWOZVGCEIA-FMFFXOCNSA-N	554.875	7.991	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(-c4ccccc4)cc3)n2-c2ccc(C)cc2)cc1	100835326	QULZWRJSJQTGOE-SNCSUOKWSA-N	547.684	6.551	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1cccc(Br)c1	100858315	RCEZUNKDZKSHAT-WKIKZPBSSA-N	561.292	6.246	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1	100935135	WPBUBAQYARVCRT-VUXZUVEHSA-N	546.026	5.615	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(C(=O)O)cc1	100945238	FIWNTOFSHCHYSJ-JAIQZWGSSA-N	521.367	5.589	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	100988397	RQZXUCJMHXWMLV-XKCZREFCSA-N	573.299	6.821	50	40	KKGB	
CCc1c/c(=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3	101467417	YRULOOKMDOUXLB-PZYSGQLNSA-N	599.753	5.983	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1ccccc1Cl	102807733	VGVLMJJRJHASMI-VWLOTQADSA-N	575.046	6.016	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc2ccccc12	103789633	OGGWSRUKBVDUQA-NLRVBDNBSA-N	582.498	6.446	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	103901929	IJXNEIPFAMJHIV-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc(OC)c1OC	150347438	HHJCNYJZQXRHKF-OUWCKWAVSA-N	708.403	6.913	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2C)C1c1ccc(N(CCCl)CCCl)cc1Cl	150373932	AJUCCLMEVKVXDW-UHFFFAOYSA-N	825.024	10.216	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	162482296	YDFOEWHCSDUCIW-PTEHHBOZSA-N	746.294	7.996	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	164733684	AFSYYWKSLAAVGA-JAIQZWGSSA-N	631.151	8.796	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164736346	LMCGWKXNQTUIPN-PXNMLYILSA-N	672.100	7.183	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	205121644	RHBORHHOJSMGMZ-UHFFFAOYSA-N	529.361	5.443	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408542391	JABZYAMDEXPICC-NVMNQCDNSA-N	522.311	5.180	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1cccc(C)c1	408552119	HKJFWDYIJYVOOW-CIAFOILYSA-N	623.516	6.935	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408567593	FTNFTMYCXJKEBN-XAZZYMPDSA-N	612.000	7.632	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccccc1Br	408568392	JHWJNXOHGSYOOV-VULFUBBASA-N	530.513	5.864	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccc(Br)cc1	408580610	PXPXLNFVUJOBSS-LDADJPATSA-N	512.201	6.293	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	408718115	KJOYQGNECGXLSJ-XTVOIXIBSA-N	966.684	9.147	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)ccc1I	408745951	BIIGKSJHPIPBBJ-KKMKTNMSSA-N	721.127	6.018	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(Br)cc1	408779642	ZTDDKFNUAXQREK-PXNMLYILSA-N	508.210	5.231	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792266	AHOJUVMJXUNHRW-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)cc1C	408792724	CDRWRRSZKFWTJF-UDWIEESQSA-N	542.804	6.686	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(Cl)cc1	408793368	FDAZUMITQSMZRH-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408830018	QUISRYBFLDBSMG-NNLKUIAGSA-N	763.736	6.391	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408834600	WPTXFCCXJJESIU-JVWAILMASA-N	763.459	10.162	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc(OC)c1OC	408838120	CERYHFWEMSFDLI-YSYOEVFLSA-N	737.028	7.887	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4ccc5ccccc5c4)cc3)cs2)cc1	408838392	FARPBQVAITVUSL-HASSKWOGSA-N	647.598	9.121	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)Cc1ccccc1	408838939	KMSRMUBVUSDHFY-RUMWWMSVSA-N	521.573	5.250	50	40	KKGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408841608	LZCZQGPITIWIJM-BVMLUPFRSA-N	640.947	5.807	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408846216	RFCMBOSUFALDKE-WKULSOCRSA-N	566.795	5.931	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408849447	YRFVXLFYDDQKBU-QQMJPZKZSA-N	813.451	9.237	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408865103	AQKWCDMUHROJMS-PCLIKHOPSA-N	557.875	7.818	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1Cc1ccccc1Cl	408871239	YFEUZBYQNQUSLU-YBFXNURJSA-N	542.804	6.398	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408871342	ZFQNWNHGYKKETK-HZQMBONKSA-N	668.215	7.786	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408886930	KDYURQVZHQIAFJ-DEDYPNTBSA-N	575.846	7.419	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OCc1ccccc1	408887255	PBBZFVVKPMOOQK-LICLKQGHSA-N	579.221	6.731	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408888605	XUCIEXPQGFBFAN-XDHOZWIPSA-N	632.432	5.010	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OS(=O)(=O)c1ccccc1	408900301	UXZMHADIYPKDME-LDADJPATSA-N	633.420	5.220	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2Br)cc1	408925564	SDPTULURMOHXAA-OVCLIPMQSA-N	582.259	6.078	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408939021	ATQSXWBERLUKSF-YTTGMZPUSA-N	711.668	6.585	50	40	KKGB	
CCCCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408971436	OLCRNXJXKZTENY-DYKOZSKZSA-N	556.490	5.817	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c2C)cc1	408982908	ZRORKUQKPMPBGT-CLCCEFQUSA-N	528.678	5.271	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1Cl	408983711	HDHOFKKDGJIZLB-IDUWFGFVSA-N	578.663	7.437	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCC#N)c(I)c1	408983866	NUSMPRNAEWLXKM-QPEQYQDCSA-N	603.585	5.306	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCC(=O)Nc1ccccc1C	409008139	UNBNQSQKBTUVOC-FZKWRIDDSA-N	562.626	5.030	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc2ccccc2c1	409009837	IPQUVJMJJUOJKV-IPPBACCNSA-N	612.265	7.125	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCc1cccc(F)c1	409035472	JXCQUOQJOVJWHB-GKVNEZTPSA-N	559.641	7.511	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1F	409056372	LTIVEJUXKNETEW-KKMKTNMSSA-N	505.771	5.902	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cc2cc(Br)cc(I)c2o1	409088942	MITVXBMGRPZFID-RPPGKUMJSA-N	611.686	7.368	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(Cl)cc1Cl	409146916	VOEZKXSDQMSWCD-YPXUMCKCSA-N	547.063	7.406	50	40	KKGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc3ccc(Cl)cc3Cl)o2)c1	409153240	MEPWVRAHDVSIPV-FSLBVTOFSA-N	602.515	6.270	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)NC1CCCC1	409192424	CHOULXJBQGPKIR-PXNMLYILSA-N	643.219	5.349	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1	409214933	VHRUJYGROIKOKC-LUOAPIJWSA-N	680.708	6.510	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409223349	ZCNSCIOEPFVSKJ-APSNUPSMSA-N	719.195	6.947	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	409235497	BRZYEXCKNJBIQU-PPDIBHTLSA-N	510.190	6.167	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1cccc(C)c1	409242986	XGXMNKPHPUJOKW-IWIPYMOSSA-N	519.439	6.001	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1	409247526	DCUIMYBHDOQIIT-JVMBGAFUSA-N	505.412	6.211	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(N)=O	409253135	ATJUFVFSWUZTED-YNFMAFFXSA-N	550.040	5.152	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)c2)c(C)c1	409260154	LPQHGAGFIAAQGE-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409264643	QOCUCFAUFXFLBM-BKUYFWCQSA-N	625.463	5.879	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)ccc1OCc1ccccc1	409265358	UJLRBJTZUKEISU-HQDYHJHZSA-N	592.479	6.753	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409266129	JUBSJRHMZVCCMK-ZDLGFXPLSA-N	510.377	5.874	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409272265	PKPRFVYZKDNQCT-XESQOAJGSA-N	516.812	5.729	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1OCC	409309880	NNCAVCDVBYQFIX-MUXKCCDJSA-N	664.263	6.548	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)ccc1OCc1ccccc1	409314069	QHJYNYGJQWKWOM-BJUCDSOZSA-N	658.774	7.796	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OC	409317229	SUCLTVCKUHOILZ-APTWKGOFSA-N	545.035	6.808	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409364210	NNVPQMXSZOEUPB-VPUKRXIYSA-N	527.235	6.450	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(C(=O)O)c1	409371059	ALAAEXIQBPMXPU-JMIUGGIZSA-N	523.339	6.097	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372230	UJYWBJWDVASTLF-SOFYXZRVSA-N	538.612	7.961	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1	409373010	PEWJTAMEJVWPSV-NTFVMDSBSA-N	565.367	5.624	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)cc(OC)c1OC	409396459	YOBCJHPTYROOMN-UHFFFAOYSA-N	816.297	8.140	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)cc1OCC	409397320	IQIWOKYDCUZWFC-UHFFFAOYSA-N	707.952	7.873	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1cccc(C(=O)O)c1	409397993	ARMKTJATJKKZGH-VHFSBPNMSA-N	672.532	7.078	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)cc3)o2)cc1	409403820	OEAGKTGSMJFXHB-VHFSBPNMSA-N	675.967	7.463	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC(C)=O	409404740	QVDOTDLLVOSPHV-UHFFFAOYSA-N	535.984	5.617	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1O[C@@H](C)CC	409405998	VQQUITDJPWEGLM-JULKZOALSA-N	642.978	8.022	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)o2)cc1	409406147	WBTJBMCFURPBQF-ADJDCTSUSA-N	649.506	7.493	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OCC)c1	1529548963	QZDIDPABKPSMEW-RNMNIPMUSA-N	807.505	5.916	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2361294	MWEZDTUHKXBWMF-STBIYBPSSA-N	544.637	5.391	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3cc(C(F)(F)F)ccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1OC	3663108	BTNMQVPOGUSRFN-QHCPKHFHSA-N	531.962	6.317	50	40	KKGB	
C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2NC(=O)Cc1ccc(N(CCCl)CCCl)cc1	4830923	NYHIYBJOBCXRTR-LOLMJFKOSA-N	529.552	6.260	50	40	KKGB	
N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC(=O)C[C@H]1c1cc(Br)c(O)c(Br)c1	8429977	WGIKMIWNCPWUFK-IBGZPJMESA-N	613.331	6.354	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl	8812839	GKABODPREINQTD-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1	12468274	OMNISWQFYACLKE-QRQIAZFYSA-N	510.450	6.182	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)c(OCc2ccc(Cl)cc2Cl)c1	13563278	BEYJKZLDNPTNDN-YBFXNURJSA-N	525.440	5.125	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc(Br)c1OCc1ccccc1	33853228	PKVDACQZDKLFDA-RWPZCVJISA-N	505.368	5.659	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	59410653	DQWCJFQSTNLSNP-MZJWZYIUSA-N	517.807	5.392	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	59410714	WKFQIFLQBGAYAX-MZJWZYIUSA-N	517.807	5.392	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	97949598	LLHNDFXVYFYROT-QFIPXVFZSA-N	535.050	5.752	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@@H]1c1ccco1	97950987	YNUYWKOENCCNIV-HHHXNRCGSA-N	528.634	5.612	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1CSc1nc(C)cc(C(F)F)n1	97965705	NVMGSZWSPDIQTE-LUOAPIJWSA-N	545.662	5.876	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1	98048697	SUFRPBPHNVJHCA-GDLZYMKVSA-N	552.700	6.327	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1	102666617	SREWUJWEBUFOSB-NJEMLTPYSA-N	562.489	5.243	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)NC(C)=C1C(=O)Nc1ccccc1	102718545	HSNYZBZNWNRGFP-MUUNZHRXSA-N	593.536	7.099	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C\c3c4ccccc4cc4ccccc34)c2=O)=C(C#N)[C@H]1c1c2ccccc2cc2ccccc12	103757681	FFYULGJOUHATEZ-ODSXNOBESA-N	582.688	6.474	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	104402144	NUCROQHZLRDKHG-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	150494925	UMEHVZYTAPOMAZ-FDALDRLYSA-N	661.611	7.569	50	40	KKGB	
COc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)ccc1OCc1ccccc1	408538571	OVZSHJNWCXPZKN-KOEQRZSOSA-N	506.558	6.104	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408545465	YYUFCYCZWRSDFE-LSCVHKIXSA-N	545.806	6.868	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552133	OOIDFBOUIHYZSE-PXNMLYILSA-N	579.267	7.262	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1	408570180	SMUYWWRXXNFRPN-CCVNUDIWSA-N	624.953	6.531	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	408579031	CKSFMLKXLJPWDV-CPNJWEJPSA-N	511.803	6.583	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCc1ccc(C)cc1	408581972	KHISOOCZVPPGAG-LPYMAVHISA-N	525.386	6.650	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2cccs2)cc1	408659099	VOAFFNXHEYVZNI-BHDUVLKXSA-N	755.268	6.292	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1OCc1ccccc1Cl	408724587	FUHWAQQXTMYJSZ-BHGWPJFGSA-N	524.742	5.198	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cc(Cl)cc(Cl)c3Cl)c2C)cc1	408744744	ZSKQVWYXOMTVED-LUOAPIJWSA-N	508.789	5.370	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)ccc1I	408746766	GUQRGVVVTFKBHG-KKMKTNMSSA-N	639.240	5.112	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1I	408748096	YIHMLUBFVGJMDY-WYMPLXKRSA-N	552.210	5.234	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	408750325	LNDJNKCNBDGKND-ICUTVXMZSA-N	547.630	6.198	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OCc1cccc2ccccc12	408758992	WBATXSRIUJJDNE-UOMFLXKPSA-N	559.688	5.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408788842	MKPCZPKINIDAOA-VCHYOVAHSA-N	501.797	7.170	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(C(=O)O)cc1	408791301	VTYJVVBRQJYSOX-SRZZPIQSSA-N	582.394	5.740	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1	408794475	JFURCJQCHJTMKQ-UDWIEESQSA-N	536.382	6.053	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408798602	WDVSLBZRJBSIAB-CAOOACKPSA-N	600.325	5.241	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(C)c(C)c1	408802777	HHPQAOBSHRULGY-FSJBWODESA-N	566.439	6.658	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408815194	URGWKHSXKYYKEF-FDAWAROLSA-N	505.401	5.959	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc2ccccc2c1	408816056	KHXLGORTRCUGQR-KDHRXPGNSA-N	691.569	8.562	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1cccc2ccccc12	408819714	SOQKUJIQAUJYTF-HMAPJEAMSA-N	592.408	7.107	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c2cc(Cl)cc(Cl)c2)cc1	408838529	XNILRBONFVDRAA-KCSSXMTESA-N	617.555	5.039	50	40	KKGB	
N#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408840905	DARSJVIELLLCNE-IPPBACCNSA-N	613.868	6.478	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408846165	IQPCTLXVSBYKBV-FZPRHHONSA-N	545.083	7.069	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccc(C)cc2)cc1	408856948	INWDOWBWVKGQQJ-HNSNBQBZSA-N	620.728	5.219	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408858126	MJBNQMQPQOXQDV-AABVJFSESA-N	711.849	7.343	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cccc(Cl)c2C)cc1	408861070	LZXFDZDTVPWTEQ-MUFRIFMGSA-N	567.023	5.471	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c(OC)c1	408870583	TXHXLAQFKZCRRC-CNHKJKLMSA-N	749.170	7.022	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408880829	IRGCFHLXUUFNNW-KULFSUQXSA-N	751.483	7.015	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Br)ccc3ccccc23)cc1Cl	408889379	FTWBHUQRWMPCEG-KGENOOAVSA-N	531.837	7.689	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408889750	GTLXCBYZZRANFX-DEDYPNTBSA-N	599.459	5.256	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)ccc1Br	408905082	SUFUKCWSJVHEMF-BCHBDCPOSA-N	586.111	7.561	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OCc1ccc(Br)cc1	408922680	FYWFHBMZGWTRTA-CPNJWEJPSA-N	507.340	5.281	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccc(F)cc1	408924439	OFEZRAGCDLXKES-UVHMKAGCSA-N	597.222	5.934	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408962840	KBMUIJCPXIWPIF-KVSWJAHQSA-N	552.303	5.728	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1	408969223	JLXNEBUPIOKQNL-JPXOHXSUSA-N	654.978	6.880	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408970758	DHEHIAYHEMFMPK-FAILIVOPSA-N	733.874	7.642	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1	408976604	BCLBPUZGQYOAAC-GRDXZWITSA-N	529.662	5.497	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccccc1	408978266	HNOIGWUHCDAUSI-TUJXVDMFSA-N	524.415	5.356	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408983039	ZYDRPVDHOBGPCT-ORCNLAPZSA-N	553.659	5.979	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1Cl	408984923	UIHBHABKQAHVJY-IUXPMGMMSA-N	642.118	7.794	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C(\C#N)C(=O)Nc5cc(C)cc(C)c5)cc4[N+](=O)[O-])sc3c2)cc1	408993875	XRIVFFFQQKQWOX-BUVRLJJBSA-N	619.728	8.079	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(Cl)cc1Cl	408998214	UBABGMRZYPJADU-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(I)c1OCc1ccc(Cl)cc1	409013598	BUUMEHQMZGCWCK-AMVVHIIESA-N	601.828	5.610	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccc(Cl)cc1	409033129	DTNDEKMKSNASCV-KVAAJVFYSA-N	694.982	8.163	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)c1nc2ccccc2o1	409045564	ZFCGLAVBXSXQCV-CXUHLZMHSA-N	589.081	7.758	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409049480	XBYMNKHBIRLSQD-XDHOZWIPSA-N	568.855	6.373	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409064692	FHFONERJADGGJR-LFIBNONCSA-N	626.831	5.796	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081914	QZNRCTOSHQORGZ-XSFVSMFZSA-N	537.494	7.079	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)c2C)c(C)c1	409143526	MNZGPZGLTMLQJN-BIZUNTBRSA-N	542.705	5.750	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(C#N)cc1	409145677	PHKQGMZWJSEGAX-SSDVNMTOSA-N	502.368	5.132	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409150082	ZVRBBSBPZTZVKT-IURWMYGYSA-N	705.290	5.919	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccc(C)cc1	409219844	VMBHBHZLIVDRQW-UHFFFAOYSA-N	507.546	5.239	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2cccc(C(F)(F)F)c2)cc1	409223082	GLRRKZQZQDRRFI-CPDSRJINSA-N	542.470	5.191	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1)Nc1ccccc1Cl	409249404	HXGJQRNDOZZCMZ-OHUYPAJKSA-N	582.085	6.989	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl	409253094	DRLDMYJBTJUMKE-PDGQHHTCSA-N	524.802	5.974	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409253303	AWQYODCTUMNJDL-BOPFTXTBSA-N	589.273	6.718	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2C)cc1	409255348	JQHMINKEIXVXED-QDTIIGTASA-N	573.285	5.918	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409255445	KNXWAZPBHMNPRC-AEVGBRMKSA-N	654.192	7.922	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1	409266840	YRURCMPOEOCUKL-UNOMPAQXSA-N	597.409	5.180	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OC	409309300	FHGLRNWNWOEWHA-UHBFCERESA-N	584.467	5.345	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1OCC	409310299	UCRWMGJCHAZCAG-UHBFCERESA-N	606.432	5.969	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	409316336	PUGIKMDEQPBISV-QDTIIGTASA-N	560.832	5.210	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2cccc3ccccc23)c(I)c1	409370974	AZBPCKABVVPQJM-NTFVMDSBSA-N	565.367	5.624	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1cccc(C)c1	409372755	JDWIVOFAHXXAIO-KBVAKVRCSA-N	594.449	6.503	50	40	KKGB	
N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc(I)cc1	409373904	ZOAKDYSTJXGWJQ-UNOMPAQXSA-N	516.176	6.697	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409374662	WBBANFGHBZPJDL-XKZIYDEJSA-N	518.444	7.949	50	40	KKGB	
O=C(COc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1)Nc1ccccc1F	409379918	CFEMGHCWJQOSHB-KVAAJVFYSA-N	600.075	7.128	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2OC)cc1	409381618	HWWTYRCFBSUERK-KULFSUQXSA-N	721.033	7.768	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)[nH]c12	409394664	DITTYNIRDMGSHV-UHFFFAOYSA-N	726.219	8.114	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)cc1	409394719	FBQKCJRZBSEKSH-UHFFFAOYSA-N	611.883	7.414	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)c1	409395860	SNQPGOLDWNTGBW-UHFFFAOYSA-N	662.924	7.260	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397289	IIHRRFYPCCXGRX-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409397485	KJBJPBVSCRMVDL-UHFFFAOYSA-N	660.952	8.031	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397858	OTHWTDATUDYKBT-UHFFFAOYSA-N	660.908	7.361	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc5c(c4)OCO5)c(Br)c3)o2)cc1	409400610	DTYRUVSVZWSEKB-HTVDVWKISA-N	721.402	7.863	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(C)cc1	409401834	IIERIJDZYLLTRO-UHFFFAOYSA-N	563.654	6.926	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409403796	OCKWCTBTQVLIOT-ZBLBMXTLSA-N	589.645	5.378	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3cccc4ccccc34)o2)cc1	409407414	ZQZVBKIUTJPEPQ-GLJXUZQSSA-N	648.557	8.525	50	40	KKGB	
COc1c(C(C)(C)C)cc([C@@H](c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)N(C)[S@](=O)C(C)(C)C)cc1C(C)(C)C	1857795211	VLCGVEPBXGGMMZ-DEWLJAPJSA-N	760.037	10.963	50	40	KKGB	
N#CC1=C(N)Oc2c3c(c4ccccc4c2[C@@H]1c1ccc(F)cc1)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O3	658570	BQRKXUDQBIQUQP-DNQXCXABSA-N	504.496	5.554	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c4c(c5ccccc5c32)[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O4)cc1	692206	FNIORPCDRJBACA-UIOOFZCWSA-N	528.568	5.293	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c21	987208	HXNCBEHQLOAPEM-GOSISDBHSA-N	507.779	5.205	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	1790748	OJTGEGNVYLBXBS-CKVBZJJFSA-N	583.851	6.076	50	40	KKGB	
CCc1ccccc1/N=C1\S/C(=C2\C(=O)N(CCCl)c3ccccc32)C(=O)N1c1ccccc1CC	2104658	AMGYWYALYGMGJQ-DNCIHIQVSA-N	516.066	6.576	50	40	KKGB	
CCN(/N=C/c1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	2751449	AYJMTBOLRYJOHE-DHRITJCHSA-N	503.298	6.098	50	40	KKGB	
C/C(=N/NC(=O)[C@H](C)Sc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccc2ccccc2c1	8396623	QGYJANPAOFBLCK-VHTAHXCDSA-N	520.662	6.054	50	40	KKGB	
COc1cccc(-c2csc(/C(C#N)=C\c3ccc(OCC(=O)c4ccc(Cl)cc4)c(OC)c3)n2)c1	9075407	JUKNSAFOTYHMEJ-MTJSOVHGSA-N	517.006	6.807	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	15018662	UKOMHOXEKKGESR-QXUDOOCXSA-N	511.581	6.037	50	40	KKGB	
CCN(CC)c1ccc(/N=N\c2nc(Cl)c(/C=C3\C(=O)c4ccccc4C3=C(C#N)C#N)s2)c(NC(C)=O)c1	18187862	QNVMQOMOPBFLOI-UQHRGXRNSA-N	556.051	7.097	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)O	59336509	PIYHHKZQIDZQES-ZSOIEALJSA-N	510.171	5.493	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(F)c1	97960634	UPYPCUULVQCZQY-LZYBPNLTSA-N	550.211	7.028	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1ccc(C#N)cc1	97980804	GAAGKBBQJHCOHG-NTFVMDSBSA-N	541.243	6.125	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1cccc2ccccc12	97990103	GXYKUBCLNXLDAO-STKMKYKTSA-N	533.701	7.018	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccc(Cl)cc3)s1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21	98006158	AVYRPBLPUPVCOI-NDEPHWFRSA-N	575.119	5.531	50	40	KKGB	
C[C@@H](CC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(=O)N(c1ccccc1)c1ccccc1	98045248	CQZCHRBREKRSHN-KRWDZBQOSA-N	551.487	6.266	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1C	100124638	YMIRBUUXMGETQS-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1C	100129991	DKKGEBGGEPSSTG-UCMJSZAQSA-N	577.150	5.748	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	100130113	ZFXCHHCNTFCTFP-GXBUFBABSA-N	582.648	5.497	50	40	KKGB	
N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	100747673	OKAAKFMYTPZQGH-JLHYYAGUSA-N	516.323	6.257	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	100850684	NJDMJXGLTPFSOY-LQKURTRISA-N	526.449	5.882	50	40	KKGB	
N#CC(NC(=O)CSc1ccc(Cl)cc1)=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1	101337232	CPQXRIIFZMBIMT-UHFFFAOYSA-N	537.946	8.132	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccn(Cc2ccc(Br)cc2)n1	101665931	QBNXQSPCCBYFIQ-RWPZCVJISA-N	568.269	5.799	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)cc1	102538954	HBKGRCZZDDMUST-KDXDQFODSA-N	546.461	6.314	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	102808099	UCQOTWFOVLKGHS-DEOSSOPVSA-N	617.447	6.767	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(C(=O)OCC)cc3)=C(C)N2)cc1	102808685	LICUQJNYMMFNIE-NDEPHWFRSA-N	614.680	5.340	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889305	GLHWBWKBGXLNIC-YBEGLDIGSA-N	536.640	7.534	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC	103890571	BFPNPNMGOKDNRM-ZSOIEALJSA-N	589.213	5.484	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	103897483	OWTOSLKXHQPRBA-UZWMFBFFSA-N	561.635	5.149	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1OC	103898944	OQYZZRHJAJVRQV-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
CCOc1cccc(/C=N/c2ccccc2SSc2ccccc2/N=C/c2cccc(OCC)c2O)c1O	104314045	KNJSEVWCSBBTTF-GKTLAHRSSA-N	544.698	8.196	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N/Nc2nnc(N/N=C/c3ccc(N(CCCl)CCCl)cc3)c3ccccc23)cc1	150375012	CAMLFZBPGVUOEP-JTOYJDTJSA-N	646.454	7.090	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795375	NZGDWAYFVNOPCY-TXEJJXNPSA-N	958.182	12.702	50	40	KKGB	
Cc1c(C)c(C[PH](CCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c(C)c1C[PH](CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	263602993	MZXRTFRIBXGGLN-UHFFFAOYSA-N	959.128	12.988	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408542239	KBCKVVJYXGTUSO-ODLFYWEKSA-N	539.357	5.767	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c(C#N)c1C	408547400	WHXKELITPZFTDC-HYARGMPZSA-N	507.615	6.135	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408569254	MNNVHSHNGRKLQL-VFLNYLIXSA-N	656.849	7.452	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC	408581976	KJEARPNZLWZMKC-KEBDBYFISA-N	524.367	5.816	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1Cl	408589646	MIPVXAWEWANIAW-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1	408613420	ZQNWMQITOARHMJ-OKCVXOCRSA-N	544.435	5.849	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1	408645559	SLEXOLYWNJTGTG-YVSFHVDLSA-N	617.121	5.156	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1	408653884	QBPCRQURPWCFDB-SALHHSCVSA-N	764.876	5.434	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc2ccccc2c1	408678522	ZWQOUEHLCWRUAH-FMFFXOCNSA-N	619.503	6.786	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1cccc([N+](=O)[O-])c1	408723165	NSZKNCUHJLFAFT-WTYJXDNXSA-N	576.996	5.215	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1-c1ccc(-c2ccccc2)cc1	408725401	OOSOKPJJVGDWMR-FADJLKOXSA-N	522.608	7.137	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1Br	408738884	WTFSJWQCSBGLRX-LJXVVYAUSA-N	628.321	5.689	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OCc1ccccc1	408748419	DDZFLGFQOWEYJT-DHRITJCHSA-N	612.205	5.247	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Br)cc2Br)cc1	408756276	YMLPCQWLGQHONO-SFQUDFHCSA-N	576.266	5.833	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408758641	OJMXOBMKJHQBLP-WJDWOHSUSA-N	500.769	6.210	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OCc1ccccc1	408761105	HVQDFYSCUXCLIH-TYBAKLTESA-N	663.578	5.421	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1	408765380	PFQMNRJUSPGJNW-BRJLIKDPSA-N	542.238	5.596	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1	408770727	BLXZKNXQAKOQOU-CLCOLTQESA-N	510.037	7.464	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1	408787582	CCLGJRAHQPSWEA-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408787991	HZQAIUZUWDPSJV-GIDUJCDVSA-N	556.660	8.087	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408791956	FSEJYUASWSOOLT-LFVJCYFKSA-N	584.426	7.061	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(I)cc1	408792172	JAFVNAVQWYYDEF-PCLIKHOPSA-N	756.378	7.998	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccccc1Cl	408792293	AGMLMOJLUPQIRA-GIJQJNRQSA-N	593.248	7.040	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408792442	BNGINTNREXKFIP-YBFXNURJSA-N	522.355	5.881	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1cccc2ccccc12	408797579	SMCRRIZTKTZCNP-ZVHZXABRSA-N	541.445	7.352	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c1C	408799434	ZCTYDGQOYRWWPH-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1C	408803532	QDPKISMJHIXWRS-XQNSMLJCSA-N	511.419	7.344	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1cccc(Cl)c1	408814246	OOBNWLXHDJIFGE-RQZCQDPDSA-N	576.672	6.998	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3ccc(OC)cc3)S(=O)(=O)c3ccccc3)cc2)cc1	408822616	PKGBZBOGQZAVBO-DFKUXCBWSA-N	543.645	5.253	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2ccc(Br)cc2)cc1	408831631	OOXZAIJSSPCVBW-LBTISBENSA-N	663.594	5.359	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc(C)cc1	408834226	VLLOEGJSGNRVLQ-VUTHCHCSSA-N	532.640	7.406	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccccn34)o2)cc1	408836810	VVZBQSXJOYTFNW-ZMGVVAQMSA-N	610.523	6.006	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408837940	PRYYVLRZFHDJRG-HNSNBQBZSA-N	608.116	5.590	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c1	408838565	YASSMPJVHBYSJH-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccc(Br)cc3/C=N/NC(=O)c3ccc(NC(=O)c4sc5cc([N+](=O)[O-])ccc5c4Cl)cc3)sc2c1	408838993	LJOBHHITZJCEEY-NOPDUFPGSA-N	782.481	9.637	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)sc2c1	408848942	XIHARPUSNJVISD-UHFFFAOYSA-N	532.836	6.497	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cc(C)ccc2C)cc1	408856057	AOWQXOQTLFFPIJ-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408862856	MWAFBGYMEPGVIB-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1Cc1ccccc1Br	408867136	IYRMBKKFILRWJW-CIAFOILYSA-N	568.309	7.364	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1	408868932	OHQPWKPXOZBVLF-KEIPNQJHSA-N	614.724	5.182	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408881596	NRPUYAXFJSKWHS-RPPGKUMJSA-N	537.197	5.936	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408883361	QWOBJUUXBSIPLX-ZVDFNDOMSA-N	594.890	5.124	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	408884149	XAHPRQMYUJYMQC-JGGCAFBRSA-N	608.536	5.928	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccc(C)cc1	408891427	QJQWUBJLIDRPDQ-UVHMKAGCSA-N	556.507	6.197	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)c1cccc(Cl)c1	408895613	NNSSCJFGKPWZDO-WYMPLXKRSA-N	572.662	5.397	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OC	408898243	VZQYXSUVTAKMEM-XCVCLJGOSA-N	501.120	5.227	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)c(OC)c1	408954330	NKCRCYMXYVMBGR-PSKHIPHFSA-N	622.678	5.148	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OC)c1O	408970016	YRCNQVPNSFWOTN-DZHNLUAPSA-N	570.473	5.081	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408972584	PGLPUOSLWFOIBI-GWSWIJHGSA-N	659.397	7.524	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993172	VAMGGWCOGDZAGK-PMNVOCJDSA-N	693.219	8.302	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(OC)c1	409012057	HJLSRNAQFUSSCA-BBLZSICTSA-N	551.515	5.297	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1ccccc1Cl	409014721	IPXXBLNUJJCABF-CPDSRJINSA-N	554.828	5.767	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409021001	WRVZUGFXUHZFLG-KZEIVMGFSA-N	685.048	8.060	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1OCc1ccccc1	409025648	VTBFUFMOXYLURD-VMWUGLHDSA-N	587.698	5.761	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1	409059202	VIKLBUSBGWQECU-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(O)cc1	409068328	RXWDKJZXMNKHDJ-RQZCQDPDSA-N	572.209	5.740	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409126095	NVSJSTOMFDSTJN-RUZDIDTESA-N	526.464	5.955	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c2ccccc2)cc1OC	409126925	CLBWTGUGWICYJD-FABQOPTDSA-N	658.560	5.944	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1	409165957	BSFRGPPGPLVSEP-KLPHOBTLSA-N	701.199	6.332	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1ccc(Br)cc1	409187501	RGOITMYPRRHEOK-CAQPMQTCSA-N	577.475	7.064	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)cc1	409208930	DJZFLSPOTNXONR-UVHMKAGCSA-N	580.875	6.083	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409215670	DGCPUZMTYFUZPE-KKMKTNMSSA-N	519.406	5.522	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409215937	CFVDMTMQARZEGX-IBBHUPRXSA-N	563.934	7.595	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409233584	LDYZDFUWUCHPMV-BKUYFWCQSA-N	544.276	6.991	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc2ccccc2c1	409241976	TUWKUMYYVKYKMO-UHBFCERESA-N	521.386	6.022	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccccc1Cl	409252036	RKHNTUDTEGTVCU-IEJUQREYSA-N	520.029	5.438	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409256707	OZPAIFOYLTVNQB-GZTJUZNOSA-N	617.827	5.612	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409261098	BCAPHWFBAYOFEG-RQRWGXNHSA-N	674.610	8.349	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409264220	NVOZCEVLGCFSDJ-UDWIEESQSA-N	534.410	5.638	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OCC	409309899	NTZYSVDJCTULPT-LQNQUEJISA-N	524.017	5.617	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccccc1	409324994	WLWIRFJJRRQLGK-FZPRHHONSA-N	640.449	6.369	50	40	KKGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(Br)cc3C)=C2C#N)cc1	409331091	CMMYTAIBWSMUHJ-GOSISDBHSA-N	516.486	5.498	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1OCC	409333268	OAIBNOAESLJKQU-LQNQUEJISA-N	509.002	5.963	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409368378	SKFHBBXDGGBMCO-AEUUOICLSA-N	624.590	6.839	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3OC)c(OCC)c2)cc1	409380939	KFBSBWGCLFAIEB-XSFVSMFZSA-N	550.011	5.709	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384887	FLUUYJUOIBNMCM-LUOAPIJWSA-N	626.259	7.064	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1	409392990	UOXLCWSEJTWMMT-IBBHUPRXSA-N	552.856	6.406	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccccc1	409395246	LLQBBIIILUIKIJ-UHFFFAOYSA-N	777.638	8.601	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C(F)(F)F)cccc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396576	XJSGWMRSSQLOPS-UHFFFAOYSA-N	694.106	8.686	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(C4CCCCC4)c3C)o2)cc1	409407697	GVQYGYAOHHBFHU-MZFJOGFUSA-N	512.654	6.954	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]12C	504427461	YHFMMZUOMCRTSB-LYLDMPFRSA-N	521.295	10.208	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1	1529547276	KAANJBAZRUTANY-JYALLGCPSA-N	719.001	5.409	50	40	KKGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(Cl)cc1Cl	2098395	MJIVAZHVGWLXOR-WMMPRDMWSA-N	503.459	5.322	50	40	KKGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	2143400	KJFDYBBYGPBWHB-VWLOTQADSA-N	587.271	7.034	50	40	KKGB	
N#CC1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	2761085	PPVKSQBGHPOHQD-WGDIFIGCSA-N	565.844	7.253	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)[C@H](O)c1ccc(Br)cc1	3167640	VRGAHYHCZYDMBX-MYQKJCMASA-N	568.265	6.128	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1cc(-c2ccc(F)cc2)nc2ccccc12	3262539	FMJRZBQLBZAPDB-IURWMYGYSA-N	501.411	6.008	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc2)sc2c1CC[C@@H](C)C2	6167163	IWANSWBNPMKQSC-MZPOQYDWSA-N	602.540	6.526	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	6445842	WUFJXFLQFQGKDW-RNBKDOAQSA-N	550.489	5.934	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2c(C)cccc2CC)=C(C#N)[C@@H]1c1ccco1	20136728	DJWARDLOBUDTHT-RUZDIDTESA-N	527.646	5.919	50	40	KKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1	20347704	RMRAYQCWGLGPMU-XMMPIXPASA-N	502.596	5.340	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1F	33675765	AGUKGLRTVYWUPL-MTJSOVHGSA-N	503.961	5.814	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)cc1	59335243	GGBXHYFFNUUXDB-JMIUGGIZSA-N	506.787	6.407	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	97950411	RWGYBIZPHIJNOF-MUUNZHRXSA-N	536.682	6.608	50	40	KKGB	
Brc1cccc(-c2nn(-c3ccccc3)cc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1	97984665	PUPOTIBMMYLFEX-UHFFFAOYSA-N	574.482	7.796	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	98048528	NGKNWLNCJBFIDT-RUZDIDTESA-N	553.471	5.971	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	98048618	XPCUGRFSRRUJRP-AREMUKBSSA-N	615.077	7.584	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccc(Br)cc1	100042083	UMFJCFIFVQRQFP-ALQBTCKLSA-N	609.561	7.310	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2F)cc1)S(=O)(=O)c1ccccc1	100104505	MGHMGVZEWQSUKC-FDAWAROLSA-N	536.028	5.947	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100125840	BMZXHAUUZRXEKS-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Br)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	100852524	QGBIQORHVZXYGC-MUXKCCDJSA-N	567.534	5.639	50	40	KKGB	
CC1(C)CC2=NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C(C#N)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1	102502562	FCAMAHFJKIGTHO-HSZRJFAPSA-N	546.907	7.924	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C\c1ccccc1	103560607	PXPBCHAXWWHKQQ-MBLFOKAASA-N	611.530	6.584	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	103899674	IDXDVJDXIFBYMS-FDAWAROLSA-N	612.933	6.027	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	209605241	RKYWJCHGVKUEAP-WGARJPEWSA-N	512.360	5.407	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)ccc1I	223478687	VUMJMLULOLSFLY-WGARJPEWSA-N	517.411	5.474	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	245232336	SQGCIXUYPNCNFP-IGCYBFCNSA-N	561.041	5.189	50	40	KKGB	
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCN[P@](=O)(N(CCCl)CCCl)O1	301054505	XHETZCWARGANIQ-FZJBKVTISA-N	515.462	6.188	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408526181	AVFCJTXDXDVBTM-KKMKTNMSSA-N	576.245	5.569	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408549933	BURNKEPVQFWVDH-RQZCQDPDSA-N	526.420	7.069	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccccc1C#N	408555857	YTOOYKPYDPANLF-SRZZPIQSSA-N	543.048	6.547	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccccc1C#N	408568346	JBQUVXPRMUGJFS-FJEPWZHXSA-N	598.544	5.916	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408598571	DSUVICVNYYRCGJ-AMVVHIIESA-N	558.259	7.261	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)Sc1nc2ccccc2[nH]1	408599204	PYEAGVRGUBUXMG-FRKPEAEDSA-N	610.158	8.630	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Br)cc1	408646842	IXUUSPQTYLHDBP-BZDUYGCESA-N	673.583	5.121	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)CC3=O)cc2)c1	408665329	RKNGDQLEFYLRNN-NRFANRHFSA-N	608.489	5.031	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1cccc2ccccc12	408722360	HPVMTNBZUJBCTF-AMVVHIIESA-N	558.259	7.261	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccccc1	408725914	OBPUADHRRBUYMX-UNOMPAQXSA-N	540.357	5.520	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccccc1	408740617	CNZWJPXVVAPAIF-XKZIYDEJSA-N	562.261	7.489	50	40	KKGB	
COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(I)c1OCc1ccc(Cl)cc1	408741214	HMWFTHGVQWTOAG-UFWORHAWSA-N	594.840	6.541	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(F)c3)c(I)c2)c1	408743827	HNZNPEUNJAWGHG-NVMNQCDNSA-N	638.218	6.468	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c1	408745284	QUWZOMSUGYHGBJ-NVMNQCDNSA-N	618.225	6.395	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)c1	408745547	NSHOUEBGBWBLMF-MTJSOVHGSA-N	568.411	6.132	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(OCC)c1OCc1ccc(Br)cc1	408745819	VTOKYWYLRDILQB-JCMHNJIXSA-N	596.319	7.463	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1cccc(F)c1	408764822	VQWAVARIEJWKGF-IUXPMGMMSA-N	607.217	6.326	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Br)c2)ccc1OCc1ccc(Br)cc1Br	408782656	IMAMFBGFCFKXLB-NVMNQCDNSA-N	578.098	7.626	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1cccc(F)c1	408790527	WTOVTAKNNGOKFC-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1cccc(F)c1	408793708	GHUDGNWTPNESSR-KEBDBYFISA-N	556.375	6.180	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408793970	QZQCERTVGUFAFM-VXLYETTFSA-N	725.151	8.480	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1	408794544	JLWWMNRLPKMCMM-DEDYPNTBSA-N	587.255	6.741	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408799385	YWKKNUXFYFMDRN-ZVHZXABRSA-N	652.372	8.858	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408813018	CUELRNTZCZSHOV-YSMPRRRNSA-N	571.471	6.812	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1	408814868	HYWFVUFCIVFRJS-BMRPRGCTSA-N	554.090	6.342	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408820232	VZJFKJRFOSLKMQ-XYGWBWBKSA-N	517.025	6.278	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408821355	GNOXUUQRBVHEEG-RDRPBHBLSA-N	522.026	5.017	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408821547	ISWNURMHXGZCTQ-ZMGVVAQMSA-N	613.523	5.683	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC	408830391	OFBZJYKNMWKOMS-DEDYPNTBSA-N	555.856	7.025	50	40	KKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408836263	ZUWSTOYEBZLVFW-RCCKNPSSSA-N	517.379	5.594	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408837849	ABLARYAPGAONAU-OEPDXVHDSA-N	653.591	9.365	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408838796	IMTWRMCYGSBUJQ-KCSSXMTESA-N	586.988	5.882	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408867601	JCYLFKZAAJWSLS-OGLMXYFKSA-N	642.537	8.022	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1Cc1ccccc1F	408868557	NRHVTNCIOROHQF-VCHYOVAHSA-N	594.346	6.984	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(Cl)cc2)cc1	408878242	YTDPYBQFXIINAN-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OC(=O)c1ccc(OC)cc1	408878607	CFNNMBMAWHAIID-OCSSWDANSA-N	594.405	5.835	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408881864	MUJITMWSUJTRKE-LFVJCYFKSA-N	512.968	7.183	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccccc1C	408884299	UDVWPDWULUYIME-OCSSWDANSA-N	517.423	6.652	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc(F)c2)c(OC)c1	408889400	GEKRRXGGROXUGR-RGVLZGJSSA-N	509.375	6.284	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408891222	NCYXHGYFPNNWPP-XDHOZWIPSA-N	545.444	6.322	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1	408891744	UPUATCVDKKDRBT-KGENOOAVSA-N	593.430	5.798	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1cccc2ccccc12	408896024	OXOLILQKJBOATE-FYJGNVAPSA-N	513.937	6.535	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)cc1	408925849	UGEFTMJNTWCQSA-GZTJUZNOSA-N	574.840	5.374	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408933492	BATORIKCJGULIX-NUJZUDFISA-N	509.921	5.405	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1cccc2ccccc12	408948760	GKGMYBZHTCYSPS-QQXSKIMKSA-N	641.509	7.169	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408965244	UXNZUXCITLNHCK-WCMJOSRZSA-N	538.551	6.936	50	40	KKGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408973099	RZVZSJHXWRFXCH-LNRKUZHGSA-N	506.430	5.007	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(Br)cc1	408981995	XDENCGVVLBQPFS-WJAYPVQZSA-N	586.486	6.048	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(OCC)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408992037	QDYSYEAPUNEMPH-QHFGQAMDSA-N	593.687	6.082	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cc2cc(Cl)ccc2o1	409022331	KFXQCUOOHFTFQF-VROXFSQNSA-N	510.196	7.010	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc(Br)cc1	409031258	AAEKVSYCLGOUKH-ALQBTCKLSA-N	627.564	8.058	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409043976	NGZDYKFPLKQPKZ-MWBNBJEGSA-N	595.884	7.532	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1	409045249	FVYOKPJJKJPGSU-LICLKQGHSA-N	560.217	6.484	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OCc1ccc(Cl)cc1	409058838	UAWLLOVEWXBSHD-OPEKNORGSA-N	534.750	5.068	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409067985	SADMQXMALJCKMD-XDHOZWIPSA-N	589.895	6.431	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)NCc1ccccc1	409085639	CKVOQYLDXPWDNY-LZYBPNLTSA-N	625.195	7.154	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409121125	YMFJGDOXXDXQPA-FDAWAROLSA-N	568.482	6.127	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1	409170715	XEGOUXRQPGFURN-AMVVHIIESA-N	601.885	5.224	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409219244	OSVZXBCTVOYJSW-CXUHLZMHSA-N	655.798	6.535	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccccc3)c2)c1	409223744	IRJUWNOSSRKGPW-KXBRCCDJSA-N	582.454	6.393	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409232895	IXTXLKIGASQJKA-HSGPEQJXSA-N	607.275	6.970	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccccc2)cc1	409245271	QCNVNJCJAPLAHD-JLPGSUDCSA-N	515.535	7.238	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409254854	JDSPMEJGYLOIEF-QDTIIGTASA-N	573.285	5.918	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409271033	JNKHXLZUZVQMTI-LICLKQGHSA-N	589.773	5.943	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1OC	409301037	CDJWRBZSIIHYSB-FDVSRXAVSA-N	517.460	5.967	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OCC	409309642	KHYKRLJMCQGKOO-MWLSYYOVSA-N	633.439	5.738	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)ccc1OC	409310774	WKUVSHQBRBDPFC-NUJZUDFISA-N	533.459	5.586	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1OC	409312232	KDZOVWRVEUIEDY-NUJZUDFISA-N	653.165	6.890	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1OCC	409322875	LMJBSBOEHCZDLB-UHBFCERESA-N	531.436	6.532	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1OCC	409323619	OSRJCZIVGQDKED-MWLSYYOVSA-N	509.990	5.227	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)cc1OCC	409337237	XKSGXRDVHWRTFE-NTFVMDSBSA-N	640.350	5.931	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409367830	LYVJBVNDXIUXOZ-NHDPSOOVSA-N	551.340	6.113	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OC)c1OCc1ccc(Cl)cc1	409372184	FSJSMPOKXKTHIR-KCSSXMTESA-N	515.009	6.582	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1	409383720	CHTMYCXWKIYLDH-WOJGMQOQSA-N	509.450	7.303	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1	409385193	GONVPEOUYNLNOF-MHWRWJLKSA-N	517.866	6.061	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)cc1	409394660	DHNJNUZMXWWFIO-UHFFFAOYSA-N	536.031	7.397	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409396262	XJKOARYXKSKPOF-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397405	JNCVPOOUPFLKCQ-UHFFFAOYSA-N	553.618	7.288	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397961	PTNMMSLBXUPHSC-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)c1	409398421	SXNKTXFLHPICEC-UHFFFAOYSA-N	551.046	6.846	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)cc1OCC	409398426	SXWIEBKBRMYRDO-UHFFFAOYSA-N	650.053	8.288	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409401426	HBQTXSIMRFLVCL-FRKGHFGRSA-N	711.440	9.077	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1Cl	4196296	VNJSSBBMAOVUCL-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
Cc1ccc(S(=O)(=O)O[C@@H](CI)[C@@H]2O[C@@H](c3ccccc3)O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]32)cc1	5732584	BAECIMNJDZDGFY-OZCRVQINSA-N	622.477	5.101	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(CC)cc3)N(c3ccccc3)C2=O)cc1	12273785	KRZFPNQAJZXFMC-SJCFVWOQSA-N	525.630	5.491	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12	12377294	SCUVPNHDNJCUGS-HHHXNRCGSA-N	500.480	5.616	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2Cl)cc1	12556014	LWAVOAQEBTWEMY-MHWRWJLKSA-N	512.305	5.675	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1C	20233168	XVCWASMCPAEHBN-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)c3ccc(C)cc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	20347740	WDWRDCZFVFTQBS-MUUNZHRXSA-N	525.630	5.660	50	40	KKGB	
c1ccc([P+](CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	43439806	YFNMUWGKGLVJEW-UHFFFAOYSA-N	594.719	8.145	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)c2C)c1	58915007	DEEPNKAWSPPFCD-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
O=C(N/C(=C/c1ccc(F)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	95671321	JWYYZJIIACMINO-MKCFTUBBSA-O	502.549	6.548	50	40	KKGB	
COc1cc(Br)cc(/C=N\NC(=O)CSc2cccc3ccccc23)c1OCc1ccccc1C#N	97963940	CXUYWJACZNZHCC-ACXHZZMFSA-N	560.473	6.304	50	40	KKGB	
COCc1cc(C)nc(SCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1C#N	97965420	FCGFOZQWOYNENP-QLQYKETESA-N	571.706	6.775	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccc(Cl)cc3)=C(C)N2)c(OC)cc1Cl	97999723	SMYNCSRLSVNVRA-NDEPHWFRSA-N	609.535	6.717	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C(C)C)cc2)N1	98048916	LQKISBAFSVXBMJ-NDEPHWFRSA-N	540.689	6.726	50	40	KKGB	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	100013071	BDTYMGCNULYACO-MAZCIEHSSA-N	542.889	11.683	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)cc1	100078337	VDAIXJBXHUVLFU-YMNDLRCVSA-N	550.851	7.848	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1	100129844	NLCCYBATJWNREL-RGXNXFOYSA-N	563.123	5.440	50	40	KKGB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1	100423277	RCHXBSVHIDSVPW-ULJHMMPZSA-N	551.669	5.204	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)NC(C)=C1C(=O)Nc1ccccc1	102809860	XJZJXUBELRMVDI-MUUNZHRXSA-N	569.643	5.700	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102810139	BBTKXIUQMZZMKC-SANMLTNESA-N	578.025	6.094	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)c2ccc(Cl)c(C(F)(F)F)c2)cc1	103894755	KAKNFAVGPZHJJI-VFLNYLIXSA-N	588.833	5.775	50	40	KKGB	
Cc1cc(N(CCCCl)CCCCl)ccc1/C=N\c1cc(Br)c(O)c(Br)c1	104138081	SYFLAFFYKSBGBB-MXAYSNPKSA-N	537.123	7.040	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1c(Cl)cccc1Cl	104953468	OZHZZOMCSQWWKT-LFIBNONCSA-N	536.242	7.824	50	40	KKGB	
CCOOP(=O)(Cc1ccc(-c2ccc(CP(=O)(OOCC)OOCC)cc2)cc1)OOCC	139608524	NDFJBDVZJYCYJK-UHFFFAOYSA-N	518.436	6.612	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341902	MBWDMVGAVOKPHV-HXUWFJFHSA-N	776.491	13.206	50	40	KKGB	
C[C@H](Nc1ccc(I)cc1)c1nnc(SCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)n1C	150452812	FRQWVXRJTSLTFR-KQPIQEFLSA-N	705.420	6.177	50	40	KKGB	
CC(=C/c1ccccc1)/C=N/NC(=O)CCn1c2ccc(I)cc2c2cc(I)ccc21	150465950	OOAKQVLAPWJUGP-RUTJHTDTSA-N	633.271	6.599	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408579642	IYCPRFCBIVJHJK-OQLLNIDSSA-N	500.294	7.065	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccc(C)cc1	408579655	JEODYXXFRLARCK-WSDLNYQXSA-N	555.412	6.659	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408638716	DEOYTVPHRFSLDP-HNNXBMFYSA-N	637.105	7.627	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408724679	GSNAJCNTJFERGC-OBFVWLISSA-N	589.155	7.374	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Br)cc1	408726626	UJQWEHXULPGLAM-JAIQZWGSSA-N	570.281	6.962	50	40	KKGB	
O=C(N/N=C/c1ccc(I)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408740850	IPANNBSITMSDAG-NDZAJKAJSA-N	557.391	6.773	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746322	RTLYAXVLCCYRGO-PXNMLYILSA-N	685.643	6.582	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)ccc1I	408747577	PUIWQSIVQNGRRC-FJEPWZHXSA-N	645.291	6.567	50	40	KKGB	
COc1cc(C(=O)N/N=C/C2=C(C)[C@@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)ccc1I	408748172	ZMDBSJJNPFLDOW-YVCCNPTBSA-N	578.450	6.655	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408750044	KASYIRWZIPIUON-ICUTVXMZSA-N	547.630	6.198	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	408763425	DTEGUDSDHPVHSP-FBTAJRKFSA-N	622.585	6.333	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc(C(C)(C)C)c1O	408766317	UHCAMQRMVSVDGZ-HNSNBQBZSA-N	579.535	7.052	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1)c1ccccc1	408770914	CIRRNJCCFJHSGE-ODIUUIGESA-N	558.103	6.652	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1Cl	408791559	YRVSOTWEHIXZCM-RQZCQDPDSA-N	627.693	7.775	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	408792602	BENXWCLPMNCQTI-RGVLZGJSSA-N	618.311	7.456	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc2ccccc12	408795361	LPHYWRKERGDDFO-YDZHTSKRSA-N	531.439	7.978	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(C(=O)O)cc1	408795532	LXTHIZGSNKMPLO-VCHYOVAHSA-N	541.785	5.934	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408796500	OJQXNRPYBAIXBJ-CXUHLZMHSA-N	654.096	6.646	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccccc1Cl	408798149	UUDLOYYTVKFGMH-CXUHLZMHSA-N	564.636	7.129	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408807553	CRCMKKZMKSWGPM-UPBYCUSYSA-N	611.573	7.419	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(c1ccccc1)c1ccccc1	408825396	IGYDIHIJNXILJA-FADJLKOXSA-N	598.124	6.606	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408829181	OHHBGNXHGVGTOP-IURWMYGYSA-N	598.068	5.507	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1	408830850	PZGONRIGCNFIQQ-VWJSQJICSA-N	620.942	6.712	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408842131	MFLCQTQIGRAPHR-ZHSUKTGHSA-N	634.036	7.138	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408842626	BHAPUBFJRQDPJX-SSDVNMTOSA-N	596.308	8.432	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cc2ccccc2o1	408852717	HSUDGXFPVIWBKD-ZMFRSBBQSA-N	528.200	6.301	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1	408860667	BIFPHGBCDJVETO-BKATUZMVSA-N	681.214	6.503	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)c(OC)c1	408865638	DEPXHOMTNYKMLW-FYJGNVAPSA-N	507.384	5.269	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408881196	KERBTPNKPWQMGG-CAOOACKPSA-N	699.670	6.891	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccccc1F	408881749	MNDUULUQTZNTJR-KKMKTNMSSA-N	544.402	5.559	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408882429	OANMASRGBZGOJH-FJEPWZHXSA-N	567.823	6.013	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1Cc1ccccc1Br	408885077	XANKEXCMUBWXRI-WOJGMQOQSA-N	526.228	6.357	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	408891324	OORJWAVUJLJPFQ-MHWRWJLKSA-N	512.305	5.675	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2ccccc2Cl)c1	408891961	WKEJXVXCUCYKOR-KOEQRZSOSA-N	525.004	7.052	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc2ccccc12	408892018	XHPJXTAUNWXPDW-RGVLZGJSSA-N	548.382	7.188	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	408892261	AFZXMEDFXYIMMP-DEDYPNTBSA-N	525.424	5.688	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OCc1cccc2ccccc12	408892526	CDVWWNIBUSUDFE-CIAFOILYSA-N	640.759	8.460	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1	408899468	PQVFUAPDCJYWNM-VCHYOVAHSA-N	512.349	6.343	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)ccc1Br	408904012	CHXYMCXIIIEYEF-WKIKZPBSSA-N	505.372	5.614	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408938190	HIRIZBHDWNRMPF-FDVSRXAVSA-N	550.409	5.684	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccc(Br)cc1	408940176	BXSMAKRJNCKXIG-HHHXNRCGSA-N	842.348	6.280	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OCc2cccc3ccccc23)c1	408945574	LBGNQQPLADBCLS-YTTGMZPUSA-N	608.720	5.304	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12	408949606	RILBFUFIIWSVTR-SSEXGKCCSA-N	616.143	5.228	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OCc1ccc(Cl)cc1	408955336	ONYXAUARJSEQPE-NSJAHCMFSA-N	677.154	5.385	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)c(OC)c1	408957064	SDULKHRMTFKULX-LBEBILTRSA-N	756.594	5.306	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)c(OC)c1	408957487	USNZANUOQLHORJ-OLDUKCEXSA-N	655.535	5.610	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408958361	YBWAMFCXESENGY-YGRSAPSUSA-N	725.626	6.428	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408969916	WVUQYDAZHURUJT-KANRJXOXSA-N	619.332	7.205	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(I)c1	408983015	JRJFIFZUHGVANS-UNOMPAQXSA-N	528.777	6.378	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1	408998068	ACICUCORBQEILI-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1ccccc1F	409013627	NBFSWGAYGHDLSL-VPUKRXIYSA-N	657.661	6.944	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl	409058554	YQNCOMZIHTZYGK-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1	409071315	QMFUKLAANUFARK-VCHYOVAHSA-N	556.210	6.034	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1	409159068	UUZPFACEMPXMMZ-KLPHOBTLSA-N	748.199	6.174	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(Cl)cc1	409193239	IBKFZTCCJBZQAM-KBKYJPHKSA-N	559.618	6.594	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccc(Cl)cc3)cc2)c1	409217916	FTBOXHYXUKIHSS-CCUYQKNOSA-N	583.000	6.192	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c1	409219531	NOMATCXNJFBUFV-WKOSOALRSA-N	593.552	5.446	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)CCc4ccccc4)(c4ccccc43)[C@H]2C1=O	409220309	WOAWYCAYKDQHOS-ZEFINFEPSA-N	574.080	5.934	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2cccc3ccccc23)cc(OC)c1OC	409224991	LKIJXJYESVQAFC-UHBFCERESA-N	518.953	5.502	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409225489	RFCWAYOOWRHJFK-XDHOZWIPSA-N	568.855	6.373	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409257697	PRMSDEJEQLCFME-UDWIEESQSA-N	534.410	5.638	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1OC	409322163	KVLCVCFVLFFGGK-NUJZUDFISA-N	521.828	6.787	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(I)c1OCc1ccc(Cl)cc1	409370655	CVCPUIJXZDZVIL-WOJGMQOQSA-N	536.797	5.452	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4cccc(F)c4)c(I)c3)[nH]c2c1	409372412	DMENSQKESDYFIP-IUXPMGMMSA-N	635.218	6.863	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	409372646	OKAFQUPIHMBECX-LGJNPRDNSA-N	500.780	5.404	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1	409377600	IQKJOXXDSITRCL-YBEGLDIGSA-N	539.317	5.060	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396541	WDTQNCTWFNACLD-UHFFFAOYSA-N	630.528	8.095	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)c1	409396632	ZOFBICAUCFWJIP-UHFFFAOYSA-N	744.665	9.067	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409397580	LLFGKVWWCSNDEX-UHFFFAOYSA-N	582.410	6.309	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397653	MJFKOBBVZGYOFB-UHFFFAOYSA-N	627.311	8.440	50	40	KKGB	
COC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401078	GILRSBYYPJSVSW-MNDYBZJGSA-N	580.435	5.344	50	40	KKGB	
CCCCc1oc2ccccc2c1CC1=CC(I)=C(O)[C@@H](I)C1=O	584578335	SGODVIIEMOHZQU-KRWDZBQOSA-N	548.158	5.835	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1C	1529548868	WVTRRLZTODGWDG-ZMYPREITSA-N	720.679	6.865	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(Cl)cc1Cl	1531387200	QWHMLIVARBDYOS-WCMJOSRZSA-N	559.365	6.380	50	40	KKGB	
Cc1cc(C)cc([C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@](=O)C(C)(C)C)c1	1857795042	INELIXLRNPBNLZ-RRTCDKLQSA-N	513.687	6.545	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)sc(C(C)=O)c1C	1815397	JDFNDWNSKPRTDB-GDNBJRDFSA-N	550.574	5.551	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccccc1Cl	2206375	WNWVNTQJMKYYTQ-VULFUBBASA-N	526.847	5.593	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc4ccccc34)nc3sc4c(c3c2=O)CCCC4)cc1	2224966	RGGWFRSQWAIOKA-KBVAKVRCSA-N	538.698	6.030	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)ccc1O	2351139	IIZAQXUQPMSTDY-RWPZCVJISA-N	522.030	5.243	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)cc([N+](=O)[O-])cc2C)ccc1OC(=O)c1ccc(Br)cc1	3035676	LUMZCTZCYXICTJ-CCVNUDIWSA-N	570.396	5.121	50	40	KKGB	
CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)cc1	3238110	OJRHAOJUVKDHDV-HPNXWYHWSA-N	574.681	6.718	50	40	KKGB	
O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(CSc2nc3ccccc3s2)cc1	3342024	YXUOFFSAEJQMMW-FDAWAROLSA-N	518.667	7.501	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1	5948537	ABIMHUHCSBBYOI-RDRPBHBLSA-N	518.411	5.981	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(=O)N/N=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)n2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8426918	ZEJVSWYIFILYLJ-AKNMSSKMSA-N	795.634	5.844	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1Cl	14151841	HTTNUZVMAZKJNF-DEDYPNTBSA-N	518.038	6.675	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccc(OCC)cc1	20064481	QHIXXDPPQIOLCS-MHZLTWQESA-N	517.651	5.499	50	40	KKGB	
C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(Cl)c1Cl	25424190	SYLVUHXSSNJTET-SAPNQHFASA-N	500.455	5.956	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(F)cc1	28217224	FJDVQXZSXRUBSE-KEIPNQJHSA-N	523.656	5.315	50	40	KKGB	
CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)c1	38651532	MUYBAHKQRDMYCG-DEOSSOPVSA-N	505.368	5.675	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC	59474929	BJTKIRKXBDPWAU-WQRHYEAKSA-N	502.352	5.417	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	98043580	ATSYGMWCLWXJMJ-MUUNZHRXSA-N	544.076	6.460	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C(C)C)cc2)N1	100744182	HFNFGDGXRYFNDH-NDEPHWFRSA-N	542.730	6.887	50	40	KKGB	
CCCCCCCCN(C)c1ccc(C(=O)NNC(=O)c2ccc(N(C)CCCCCCCC)cc2)cc1	100921647	KBSDSRIHBMMUFR-UHFFFAOYSA-N	522.778	7.355	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C	100988900	SRJIPFQNGZZUHS-FZBRZNRVSA-N	522.457	6.675	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(Cl)cc1	101305020	VIAHVSDLXRWEDI-AREMUKBSSA-N	544.076	6.417	50	40	KKGB	
Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)nc2ccccc21	102687190	WXWBAEFNCOODNL-LGUFXXKBSA-N	507.597	7.069	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1	103571309	GTRRUOSMIGRTRL-CAPFRKAQSA-N	536.531	6.480	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C	103792382	WTLJYXLOZGYYBO-DPNNOFEESA-N	554.716	6.676	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)cc1	112254267	YWIZEEOWLIPFBX-PADQZMDZSA-N	610.497	5.898	50	40	KKGB	
CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341321	HIRWAQFMDABHLG-MRVPVSSYSA-N	658.174	9.160	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341960	PFXIZIZUECYQCO-QFIPXVFZSA-N	954.566	15.892	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342090	BTVDWOGWGPIVTP-UWTATZPHSA-N	892.044	10.928	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1	150427541	FQURNAGLQPAQRO-MUXKCCDJSA-N	627.704	6.378	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	150490512	ADNJJFSCVFFEAP-ATZGPIRCSA-N	642.565	5.714	50	40	KKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc21	208250290	QWCDOSUFSPXDED-DLDHGHKKSA-N	543.687	6.057	50	40	KKGB	
CCN1c2ccc(/C=N\NC(=O)c3ccc(I)c(OC)c3)cc2C(C)=CC1(C)C	208505203	LUGAPYKKAQJKFL-QFEZKATASA-N	503.384	5.086	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1cccc(C)c1	408544152	VCBFGXMPGSPFDO-NHDPSOOVSA-N	582.394	5.821	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(C#N)c1C	408546423	JFKSAAHWVNITGS-RGVLZGJSSA-N	545.573	5.319	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408655894	SAYAIYMPQRVISI-SZRMMQHJSA-N	691.631	6.009	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408738820	VVZFULZSHUVBPK-HNNDCAHOSA-N	764.402	6.400	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccccc1C#N	408742547	ASXFMJVJHOOCJP-NHDPSOOVSA-N	502.368	5.762	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1	408743810	HNDGLSFQLWPDOS-ZDLGFXPLSA-N	571.225	6.553	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744810	HKJYHOXJKKJVEO-XKZIYDEJSA-N	564.810	7.222	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1	408746785	VRMQTURFNHHXTF-YVLHZVERSA-N	623.672	6.840	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1I	408747585	PWTCHEQYAQOHIC-MSXFZWOLSA-N	552.210	5.234	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1cccc2ccccc12	408751844	CTBTUSUEZPVJIE-LPYMAVHISA-N	653.314	7.730	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1ccc(I)cc1	408753436	MSXUJMKGAVOJDD-SSZFMOIBSA-N	573.184	5.819	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1I	408758993	WBKQXLVQDSZAGH-PTNGSMBKSA-N	654.236	5.275	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(Cl)cc1	408765302	XPDAJDOFYBVWNF-RQZCQDPDSA-N	623.672	6.840	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)c2cccc(Cl)c2C)cc1	408775707	KFHORMHCLGHZKP-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1F	408794216	IKEVZFAXPCPKLR-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408794881	JLXPKPHOFYPZIS-UDWIEESQSA-N	536.382	6.189	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)cc2)cc1	408823900	FUQCVCSBRYDOBJ-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408824046	PDUGNNICVALDCM-BUVRLJJBSA-N	570.001	6.960	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3c(C)ccc4ccccc34)c(OC)c2)c(OC)cc1Cl	408824602	IKCZZAXNFVMYPL-SRZZPIQSSA-N	577.464	7.606	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC	408834870	WAKFLWWDAWOVET-KGENOOAVSA-N	523.416	7.082	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	408837522	HRGBWZDXIFXTNM-VUAMSRTMSA-N	571.702	6.957	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	408837688	LHEUQTNEJMJWAP-QNGOZBTKSA-N	596.492	6.532	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408838701	HINICZYCBIKCLL-IURWMYGYSA-N	739.817	7.280	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1cccc(C)c1	408840752	DMFAZYCEPMRHDY-IZYHBKOJSA-N	691.003	8.260	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(C)cc1	408842162	NAWXMXCLNISSHN-ZHSUKTGHSA-N	633.490	7.257	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1cccc(C)c1	408846458	SLTKPJXSXZDCEA-ZHSUKTGHSA-N	633.490	7.257	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccccc3/C=N/NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)sc2c1	408846586	TZFVKAJPTKYBAD-KVAAJVFYSA-N	602.499	7.752	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3)sc2c1	408849556	ZHSUPOUGWVBWBC-UHFFFAOYSA-N	554.480	7.058	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)cc1OCc1ccc(Br)cc1	408852885	NYPLSTOKPCESSS-IPBVOBEMSA-N	706.023	7.184	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc(C)c1	408854600	ACIRAXYVLKYOCA-GKVNEZTPSA-N	669.563	8.107	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)cc1OCc1ccc(Cl)cc1	408857933	QIBJRCGDJNBSKB-AAPHRLRXSA-N	614.802	6.700	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1OC	408870126	VLLGCQASJNVYMJ-OKCVXOCRSA-N	681.403	5.448	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1Cc1ccccc1Br	408877286	UWPDCSKAZJFDGE-UDWIEESQSA-N	598.291	6.533	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1OCc1cccc(Cl)c1	408878723	BMGIERKYFKYKQS-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1ccc(F)cc1	408884983	WLLFWLJXSMAORS-FYJGNVAPSA-N	570.402	6.516	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(C)cc2)c(Cl)c1	408887884	UPMKXCKMNXKPQC-CXUHLZMHSA-N	562.387	5.532	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccccc1Cl	408892264	AGMKLCFNRSDLHI-UVHMKAGCSA-N	613.677	6.449	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408893369	FIVWYLOMWFFBEK-VCHYOVAHSA-N	575.868	6.041	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccc(F)cc1	408895825	OGMOFNPEUVHRJJ-RQZCQDPDSA-N	607.217	6.326	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408896939	PBANFQIYODMQCL-UDWIEESQSA-N	562.807	7.289	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccccc1F	408946385	MPFTXGWSHFCJBJ-YTTGMZPUSA-N	660.768	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)c(OC)c1	408952314	JZNCBIBCAZGECA-OQMZEJBMSA-N	774.463	5.918	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)c(OC)c1	408954904	NQPLLKBGSKKZOI-OLDUKCEXSA-N	807.436	5.370	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408955471	UMZWSGRMUBNUAI-JAIQZWGSSA-N	705.188	7.142	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408956269	QGNZMCSVCBGFPE-ILBQVMEMSA-N	799.300	6.826	50	40	KKGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408959883	HKCPWEFNPYNAPO-YRRMYEEHSA-N	524.668	7.484	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(C)cc1	408984120	PSOFSARGJZYKIN-JMIUGGIZSA-N	572.830	6.695	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	408996848	KFEAZYBYFTVKHB-VTNSRFBWSA-N	546.410	6.537	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1	408998517	QXWAWEIRVZPNRA-DJUYZOMTSA-N	598.453	6.093	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	409003028	QRMRMWILKRDBJA-BMPNZVKJSA-N	535.047	6.355	50	40	KKGB	
CC[C@@H](C)n1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc21	409017138	FBPBPSXLGRSMMC-OBPDLJBASA-N	564.221	6.490	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	409018917	YPPCNUKMWFLOQN-JWHWKPFMSA-N	522.608	7.072	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br	409022002	BVTBCNQLALFOLS-RMORIDSASA-N	510.569	5.387	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409026604	UERSUEAECPSITE-KSXCTLEASA-N	506.411	5.091	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3ccc(C)o3)c3ccccc32)cc1	409031224	JIUWSFCVKDKVBF-YUDSARSASA-N	559.622	5.343	50	40	KKGB	
Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4)c4c(C)cccc34)c2c1	409033661	OMDJXCVMNLYXNY-CLHYIUPASA-N	557.097	8.247	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	409037573	DAVNDTNOORCNND-HASSKWOGSA-N	603.147	9.012	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c1	409038641	PUUQFXNFRWEZQS-NSFRQFJKSA-N	596.470	5.969	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(C#N)cc1	409041872	VZXOTOSRBPKOMM-ZSNJKBEMSA-N	605.492	7.278	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1	409048614	SRUZIGBJPTYWBX-WOJGMQOQSA-N	590.699	7.388	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC	409061747	HFDMYULOCQKWLX-OKCVXOCRSA-N	576.502	5.216	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Br)cc1C	409156687	GOUARVBAXRJKMJ-XKJRVUDJSA-N	608.276	5.179	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)Cc2ccccc2)c(C)c1	409161291	MNWKODRMBLECPU-FMFFXOCNSA-N	555.700	5.532	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C	409172905	MRYUTFHOZSBTOS-KNBZMSCYSA-N	598.270	5.724	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409219592	RWJFUNCECINCNH-UHFFFAOYSA-N	769.071	8.516	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1	409222956	YGODTQUUFXXBTO-ITYLOYPMSA-N	501.026	6.312	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c2)c1	409224625	KYSCCHOFDFXJAL-UHFFFAOYSA-N	651.311	6.456	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409231729	LVIAZKKCAKLAJP-WCEBZYJUSA-N	574.302	7.518	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)n1	409232518	QNHPOHFWRALZLY-LUOAPIJWSA-N	500.411	5.093	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccccc1	409233298	FIFFKLZQNRURJZ-IWEBCOIVSA-N	577.249	6.961	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409241820	YWGBLEKEFBTIQI-PXNMLYILSA-N	600.218	7.908	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)c(C)c1	409256229	KSIXROPOQGXUGN-NHDPSOOVSA-N	611.334	7.008	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1C	409261629	CCTGKGQDKBEFAH-KBYBVTDASA-N	510.421	5.692	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1	409264054	JLFARKWHYFGIGF-NDENLUEZSA-N	519.985	5.537	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1OC	409304857	SHVVVGRCCCLSPJ-MWLSYYOVSA-N	507.974	5.003	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(=O)Nc1cccc(C)c1	409311905	CRGBQZUPMYXWNA-APTWKGOFSA-N	553.615	5.373	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OCC	409322662	MPBXFISTFNIENU-AQLQTECXSA-N	657.186	7.825	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	409361251	BTDCVPSBPHMEEI-MUXKCCDJSA-N	609.156	6.808	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)C2CCCCC2)c(C)c1	409368366	ZUFUKPBTRUDMSF-GTWSWNCMSA-N	533.694	5.878	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1cccc2ccccc12	409372695	GUKCSVWGCCLNLC-HPNXWYHWSA-N	544.651	7.472	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc(C)c2)c(I)c1	409373858	VLKUUTAUJNBVAC-MUFRIFMGSA-N	550.396	6.104	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc2ccccc2c1	409374496	RFKJTJMOOIXTPW-QRVIBDJDSA-N	524.418	7.439	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395117	KBTUFCFYOODFAF-UHFFFAOYSA-N	774.647	8.488	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409395179	KRQKMJXCILKLFA-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395344	MLXRSHPVNMNXQY-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)cc1	409395483	OCNQKJYWZKBQHW-UHFFFAOYSA-N	552.030	7.097	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409399161	YDBLSRPDZDLHOK-UHFFFAOYSA-N	654.291	7.729	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCC(=O)Nc3ccccc3F)o2)cc1	409400104	BISPBWBWJWGERI-VHFSBPNMSA-N	615.061	6.840	50	40	KKGB	
OCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	642882933	UNTAFUKQBXHXJN-YFKPBYRVSA-N	632.092	6.962	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)ccc1OCc1cccc(Cl)c1	1529548622	KBPNMRCADXADLN-LAXCASJBSA-N	672.001	5.567	50	40	KKGB	
CC(C)(C)c1ccc([C@@H](N[S@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)cc1	1857794992	DLBHPNHATQGLBQ-PRDAIKMNSA-N	527.714	6.884	50	40	KKGB	
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1	1837882	QIWPAJONFFPIKC-NDZAJKAJSA-N	550.600	5.877	50	40	KKGB	
Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O	2090586	MHUFIIFMKGFAPL-DNOBIOAJSA-N	545.426	6.909	50	40	KKGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(Cl)cc1Cl	2312150	NNRWDCFGNCIZII-UXHICEINSA-N	504.395	5.252	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OCc1ccccc1	8427217	VODVSXKDQOLHQD-XSCOCXMISA-N	657.705	5.663	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1cccs1	20029072	BYYXYXSUGNDEHP-QFIPXVFZSA-N	500.045	5.507	50	40	KKGB	
COc1c(Cl)cc(/C=N\NC(=O)N/N=C/c2cc(Cl)c(OC)c(OC(C)C)c2)cc1OC(C)C	30738227	JUCCMOFWBGGBCE-BWGHBQEHSA-N	511.406	5.252	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccccc1	32138841	KOZMDZPFGQVUDL-QXPFVDMISA-N	520.430	7.338	50	40	KKGB	
Cc1ccc(NP(=O)(/N=c2\nc(-c3ccccc3)n(-c3ccccc3)s2)Nc2ccc(C)cc2)cc1	33353108	DYXYHBQKPAGXJP-VEWQFJOQSA-N	511.591	7.451	50	40	KKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	59436920	WKNQSHQUFFYEPS-QXUDOOCXSA-N	514.650	7.372	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	59856366	AMYUZCZAUUJTID-NJZRLIGZSA-N	577.062	6.106	50	40	KKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](Cl)[C@@H](Cl)c2ccccc2)cc1[C@H](Cl)[C@H](Cl)c1ccccc1	68563591	BCPUHZDSXYHLJT-ZDNVTZCJSA-N	514.192	8.023	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5cccnc5)CC[C@@]43C)[C@@H]1CC/C2=N\NC(=O)c1cccnc1	70672899	DKNFYEFBCLXZNI-QGANFRGYSA-N	512.654	5.751	50	40	KKGB	biogenic
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccccc3O)nnc2-c2ccc(Cl)cc2)cc1	96449500	GMYDHGIOEKTORE-QRQIAZFYSA-N	522.030	5.325	50	40	KKGB	
Cc1cc(P(=Nc2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Br)cc1	97984851	GNZXERJOXJMTIZ-UHFFFAOYSA-N	570.427	7.574	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)N1	98000087	MGTBUBWROCABFW-JGCGQSQUSA-N	572.690	7.185	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)c2C)c1	100127508	XODVXHKKNJKVAD-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)o2)cc1	100211421	UMEVSVZBHIWAQS-UZWMFBFFSA-N	573.671	5.592	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br	101664900	KTQXVHMCOQCHHU-KIBLKLHPSA-N	573.747	5.188	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c2)cc1	102999035	HEAMNLIEAUTLLX-UHFFFAOYSA-N	613.073	5.284	50	40	KKGB	
COc1cccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)c1	104367186	AVTXWZWABDATOQ-OOIMYDLUSA-N	606.476	5.424	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	104402944	GSUVYTREAULOSQ-VULFUBBASA-N	528.359	5.108	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	104953045	NZZCENQGWFNKFU-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
FC(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342298	IYUKSSULAQXGFS-REOHCLBHSA-N	792.030	9.658	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c1C#N	150404153	FVORFJCRNAQHQP-QFDQHJFZSA-N	713.754	5.545	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2I)cc1	150506349	ZPKSZYJLPZGVGY-KYHGBAKBSA-N	732.312	5.559	50	40	KKGB	
C[Si](C)(C)OC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F	169806655	MQRJAXFSKBMINU-CAHLUQPWSA-N	568.252	6.237	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccccc1	209494534	PTUIEORRBCZVEV-UDWIEESQSA-N	524.358	5.690	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)cc1	216064344	PLABSMMDMVPDGK-LQKURTRISA-N	537.401	5.847	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)oc12	223595204	UUZKQAHPHJJFFQ-UDRPCTDCSA-N	526.475	6.777	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1)N2	245232556	XLQGIDCCNPDMRP-JCTDHXFVSA-N	516.044	5.281	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)ccc1OCc1ccccc1	408540260	PIKMUAIYBNAQAT-KYHGBAKBSA-N	620.456	6.296	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550905	IGOWBMPYEYLUMD-NDENLUEZSA-N	538.431	6.572	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc2ccccc2c1	408569572	ORKDGWDXLVTGAM-STBIYBPSSA-N	501.677	6.255	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccccc1Cl	408570300	TYPKQDNPSKLEAQ-MFOYZWKCSA-N	526.793	7.160	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC	408580906	SKTXLCPQPFPCSW-MHWRWJLKSA-N	508.153	5.529	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)Sc1nc2ccccc2[nH]1	408598984	MXGXKOQCUHBWEL-CXUHLZMHSA-N	575.713	7.977	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408647376	VFYROETZDPKXRY-OAHLLOKOSA-N	841.916	7.832	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)c2ccc(C)cc2)cc1OC	408726225	KDMLMGNLMRNPFS-PPFNPFNJSA-N	600.697	5.000	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCc1ccc(Cl)cc1	408726777	UNLVTQAHASCDBB-QDYZPQLESA-N	552.840	5.809	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3C)cc2-c2ccc(-c3ccccc3)cc2)cc1	408727835	XYPPHHWEISKTRG-UZWMFBFFSA-N	515.573	6.495	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408743821	BWJLVCQXWJNCBN-WQRHYEAKSA-N	542.227	6.345	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1	408745235	QMKHQJBNYUEIPA-UNOMPAQXSA-N	573.228	6.487	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)ccc1I	408747955	WCWPNOLMJFJFQV-LGJNPRDNSA-N	579.232	5.714	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2I)cc1	408759577	HJAGFKYMDGSCQE-IPPBACCNSA-N	581.332	5.020	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(I)cc1	408767268	YSOOSTRXWBTEOA-NDENLUEZSA-N	688.157	8.094	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(F)cc1	408783203	LZYVHWYTMDUWJE-YVLHZVERSA-N	546.311	5.703	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408785717	BDSYTFXFYNRFDG-IWIPYMOSSA-N	517.854	8.153	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(O)cc1	408792564	KYKOWXLLRYIUJL-LZYBPNLTSA-N	620.197	5.792	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(C)c1	408796282	OSCDKSNYCVNPQP-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408803229	MRJIPHHVFLFTPK-UGPDPKQLSA-N	626.276	6.077	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408821669	JZRXSTHOXLGFOR-UFFVCSGVSA-N	754.235	9.617	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408833237	SGMDJDUDTWTLLG-QNVXDBMFSA-N	709.421	7.137	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408836062	PQYIRNOTPILMKB-UFFVCSGVSA-N	754.235	9.617	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4ccccc4c3Cl)cc2)cc(OC)c1OC	408839002	LLQVDSJWQSIUJD-KULFSUQXSA-N	723.001	7.578	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408839200	OQIPQWNJDJPLEA-XJECJHNESA-N	598.515	8.075	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccc(C)cc5Br)o4)cc3)cs2)cc1	408839716	VPNPJHGPONFRHU-WCMJOSRZSA-N	571.500	7.957	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2I)c1	408840943	DSTGWYZRBRXSIY-QNVXDBMFSA-N	804.879	9.068	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408846979	SAPAQALHRLIGEL-OAQMXIGCSA-N	723.059	9.710	50	40	KKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c1C	408848716	SPAWBUIGEBLGKP-AQLQTECXSA-N	598.339	6.567	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408857219	SSVQKWROQPIKDO-YCPBAFNGSA-N	569.637	5.440	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	408862499	KMYOYOJFTVGATR-GZZLJNBRSA-N	504.634	5.352	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccc2c(c1)OCO2	408862553	GECVNHWLNHCRDK-KLPHOBTLSA-N	631.494	5.904	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408866807	IQFJVQJVSDTYEZ-QNVXDBMFSA-N	709.421	7.137	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c([N+](=O)[O-])c1	408880658	HTFUBEGSHRADCK-RQZCQDPDSA-N	587.224	6.253	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OC(=O)c1ccccc1	408889905	KSBHCEOOUYXPMO-VCHYOVAHSA-N	536.338	5.439	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408896870	UJISLYHMIAQGKJ-CXUHLZMHSA-N	519.426	5.066	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OC(=O)c1ccccc1	408897101	VQRNMMWXEOFJED-WOJGMQOQSA-N	583.338	5.281	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1cc(C)cc(C)c1	408898060	KAWWKUPZKUVGGI-CIAFOILYSA-N	538.385	6.041	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Br)c(Br)c1	408899091	YZLNUCJIOCARGK-WOJGMQOQSA-N	560.673	7.298	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408905081	STVZSSITNDRYCX-ZRGSRPPYSA-N	524.873	5.254	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905206	VDWFSHRYMZYYHG-LGUSAWBASA-N	642.087	7.516	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924264	MJWYPTNAVQJYIO-GZTJUZNOSA-N	584.473	5.858	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408950099	RNVPDJKSDPPYRL-MUUNZHRXSA-N	736.472	6.229	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Br)cc1	408965321	VQWFRBCHDHBMEU-VVEOGCPPSA-N	600.229	6.972	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c2ccccc2)cc1	408979948	OVUDVKUDMBQLIE-BMPNZVKJSA-N	631.552	5.768	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC#N)c(I)c2)cc1Cl	408982379	GRIBEVYIXXMXHM-MLPAPPSSSA-N	603.585	5.306	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cccc(C)c1	408995381	BYSCIJUBKYNRJU-FMFFXOCNSA-N	551.599	5.638	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccccc2)cc1	408998628	BPUQXBRXGDHNMW-XIOXGIFKSA-N	542.705	5.579	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(OC)c2)c1C#N	409008087	SYPJBCUHRVYSES-POHGQRKGSA-N	730.660	6.194	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)cc(I)c1O)c1cc(-c2ccccc2)nc2ccccc12	409039090	QKUPZAKSYWVXKY-ZMFRSBBQSA-N	527.749	5.629	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	409043678	SZHJNRABVWFVFV-MHWRWJLKSA-N	610.711	6.487	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(F)cc1	409046408	KMPGBSBWNHVJKF-LZYBPNLTSA-N	548.181	6.614	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409082596	QHQMLXHVARJRGX-RIYZIHGNSA-N	606.298	6.960	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409089535	MVLAMCKTGAPLAN-MHWRWJLKSA-N	508.874	5.893	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	409216063	DQJPDYNOVBEAET-LUOAPIJWSA-N	680.708	6.510	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12	409218505	FMNFWCMSMCEEAB-QAVMDFSSSA-N	702.552	6.209	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)NCCCc1ccccc1	409237509	XCJYOUJIVVGJOV-PKAZHMFMSA-N	525.446	6.837	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409243589	SZVZBOSOUWZTSF-JAIQZWGSSA-N	724.258	8.192	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409259545	ALLJIAWGKFZRBO-WQRHYEAKSA-N	510.377	5.874	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409264822	GBXMTXFDYZMDGD-WKIKZPBSSA-N	530.806	5.201	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1OCC	409313104	BIAIYQZTGOGXLR-UHBFCERESA-N	633.337	6.181	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1OC	409313116	BMPUSTGVZNRYDS-NUJZUDFISA-N	610.730	7.005	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409359753	NSWICJVEVYOTEF-IPBVOBEMSA-N	663.656	5.830	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1OC	409364502	NTOANKJJFIGHPY-WKIKZPBSSA-N	701.255	5.093	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)ccc1OCc1cccc2ccccc12	409365158	XKVVYBLATBRMBJ-OKCVXOCRSA-N	518.411	5.752	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	409365622	VCHXKSDSYOITRF-MUXKCCDJSA-N	658.705	6.383	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccccc1F	409371728	LKNAGSVOJKQOBH-SXGWCWSVSA-N	626.163	6.586	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1cccc([N+](=O)[O-])c1	409372362	WLTGWZAOHDQQOL-ZDLGFXPLSA-N	516.722	6.496	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372519	ZJICOSQJLSDHQA-IUXPMGMMSA-N	532.163	6.902	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12	409373789	VUATYRICULPNML-LQNQUEJISA-N	609.420	6.023	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409383572	XAUXTQWSYYSVQD-WQRHYEAKSA-N	540.403	5.964	50	40	KKGB	
Cc1c(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409392047	NJRNMCTZLZVJGA-ALQBTCKLSA-N	526.467	7.587	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccccc1	409394908	HFUVLLCUTKHLEL-UHFFFAOYSA-N	619.846	7.076	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(C)cc2c1-c1ccccc1	409395396	NDGCXFNASLDJMF-UHFFFAOYSA-N	695.795	8.313	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395431	NLOPYTUWEZGIRC-UHFFFAOYSA-N	846.528	9.908	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396170	DLWGFNUWSHZAPL-UHFFFAOYSA-N	601.581	7.244	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396279	JGTBCFRVNIAVQP-UHFFFAOYSA-N	586.019	7.018	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396819	BPAOZSYLYRWEAI-UHFFFAOYSA-N	583.000	6.697	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397632	MDJUQRJLUXCPEL-UHFFFAOYSA-N	650.902	7.906	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(F)cc1	409399927	MBMYJJBNARHPRZ-VHFSBPNMSA-N	602.062	7.410	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCC(=O)Nc5cccc(F)c5)cc4)c3C)o2)cc1	409400450	DERVVKWLGQNRCI-YTJQMYRNSA-N	673.745	7.594	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OC(C)C)o2)cc1	409405651	UGGZQFHGHNOVOS-MNDYBZJGSA-N	550.999	6.379	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1	1529548129	AFAATHFVJAUCBO-QNDPHOHFSA-N	672.001	5.567	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1cc(Br)ccc1F	1802663	QEKIGAPZXFWJKQ-XODNFHPESA-N	571.497	5.470	50	40	KKGB	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/C(Cl)=C/c3ccccc3)n2-c2ccccc2)cc1	1819880	CTNPWEKMQQYHQX-RESBPLJYSA-N	530.097	6.706	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CC[C@@H](C)C2	1835872	LASHIZPSJTZSFC-OVGFGYAMSA-N	505.552	5.763	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCc1ccccc1Cl	1900735	CJNPFHQOENRTFH-OKCVXOCRSA-N	564.067	5.423	50	40	KKGB	
COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(C=O)=C3Sc2ccc(Br)cc2)cc1	2383841	MCHTZALNWTZUPR-UHFFFAOYSA-N	516.460	7.564	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1ccc(Br)cc1	3187696	KNDUBYLBPFNDIL-SFQUDFHCSA-N	502.384	6.717	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3Cl)c3ccccc3n2)cc(OC)c1OC	3201064	FMDBDFPOBMHRSU-VTNSRFBWSA-N	556.022	5.839	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3O)cc2)c(Br)c1	3250609	NCVIDZFVLHYWPG-KBKYJPHKSA-N	597.101	6.331	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1	6146284	VEDLXEQXTINSBB-QNKGDIEWSA-N	595.681	5.511	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)Cc2ccc(Cl)cc2)cc1	59222175	HQMUIZNURVYBNL-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1ccccc1	59888176	JGRVPGBOIPDDEK-QNKGDIEWSA-N	587.698	5.327	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)cc1	97964243	JUSOEWWQMGJBQR-QSDCIYDOSA-N	567.049	6.448	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)n1-c1ccc2ccccc2c1	97964272	YMUNARPUNTVGMU-LPYMAVHISA-N	526.643	5.806	50	40	KKGB	
C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1	97965882	QHDZTVWZWIAEDC-DPNNOFEESA-N	550.442	6.804	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	97972341	MVJYWFJFFCUYJZ-YUMHPJSZSA-N	544.243	5.163	50	40	KKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1	97982724	JQGDBSPNBDHMRC-SILNSSARSA-N	537.041	5.295	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100130162	MJSNCDJFQDENDK-GTWSWNCMSA-N	549.096	5.131	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)cc1	100351411	DJQHCQAPPWIILY-RGXNXFOYSA-N	623.573	5.249	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(Br)cc2)cc1	100989397	DYDWSGLLWQSWTQ-YDYXIROLSA-N	536.426	5.962	50	40	KKGB	
Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)nc2ccccc21	102687031	YZDDZROXSRBBFZ-XIEYBQDHSA-N	542.042	7.723	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	102807836	BCOUTDPZQQRFKD-GDLZYMKVSA-N	534.641	6.448	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccc(C)cc2)cc1Br	103898145	RXLCGCVSVNTJAS-BIZUNTBRSA-N	622.541	5.691	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	105574111	RMXXAXCJQHMNLW-QDTIIGTASA-N	599.252	6.348	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342107	KNRLKKJINXIAAI-REOHCLBHSA-N	692.016	8.387	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342153	VNKUHJSRWROOHW-UWTATZPHSA-N	792.030	9.658	50	40	KKGB	
N#C[C@@H](c1ccc(N(CCCl)CCCl)cc1)N1CCCN([C@@H](C#N)c2ccc(N(CCCl)CCCl)cc2)C1c1ccccc1	150368346	YDSUXCDSPVFNIU-LQJZCPKCSA-N	672.532	7.791	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCCCCCC	150382815	GNAKLUQNTHYFEP-PUAHEPRXSA-N	849.015	14.387	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1cc(Br)ccc1O	150420736	VEDNUHHDPBDQNR-AWYXSTPUSA-N	637.446	5.030	50	40	KKGB	
O=C(NCCCl)N1CCC(C/N=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1	150421286	WXDPCKTYLPPFES-AWYAZMPSSA-N	634.011	7.742	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc(Cl)cc1	150440307	GWCOZIWGVQPKFX-KBKYJPHKSA-N	651.069	6.546	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164738822	YBOYDZKBKIVSHT-NVNXTCNLSA-N	693.081	7.466	50	40	KKGB	
C[C@H](Cc1oc2c(c3c(c4ccccc42)O[C@@H]2CC(=O)O[C@H]32)c(=O)c1[Si](C)(C)C)O[Si](C)(C)C(C)(C)C	195752312	SXDPQWBXXUTVBE-TUZCJGOLSA-N	538.789	6.193	50	40	KKGB	
O=C(OCCOCCOCCOC(=O)C12C[C@@H]3C[C@H](C1)CC(P(=O)(Cl)Cl)(C3)C2)C12C[C@@H]3C[C@H](C1)CC(P(=O)(Cl)Cl)(C3)C2	245237046	DDHVUTKQPQBHFD-GCBOKNOVSA-N	708.380	8.125	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(F)cc1	408551535	DRTRSVUHJVTVOF-YBFXNURJSA-N	627.479	6.766	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	408567679	GCDVXOSTNZLGMP-WKULSOCRSA-N	572.108	5.374	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408580189	MWXPSYXLUIVZJM-VXLYETTFSA-N	560.275	7.545	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1	408587645	SUQOHPYTLDOAOV-NVMNQCDNSA-N	584.668	8.293	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCc1ccccc1	408599606	XGUZRVYEQLMHPC-WOJGMQOQSA-N	539.398	6.412	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1	408602714	DJZSHEMKIDIMPJ-QHCPKHFHSA-N	536.535	6.051	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1	408641025	JFDCUHGMABZNEJ-KIHHCIJBSA-N	767.254	6.383	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408643202	FUDDXYYVBMXBLF-VIJJANQBSA-N	657.186	5.708	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)cc1	408648648	KALGHSYRFIMNLH-XFSFDTJHSA-N	739.373	5.140	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408746459	ZJAOHTYVNCLMNA-SXGWCWSVSA-N	581.091	7.643	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc(OCC)c1OCc1ccc(Cl)cc1	408746622	UEKMXUSGDATZMW-JLPGSUDCSA-N	517.025	6.991	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408746741	GKWYCOPSZXWVRB-ZDLGFXPLSA-N	541.785	5.934	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	408752192	BZKZSOBEKHXUNU-GXDHUFHOSA-N	597.230	5.977	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1cccc2ccccc12	408753453	MUZDQQAQXPGDDE-BKUYFWCQSA-N	639.287	7.340	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc(C)cc1	408783034	MIJHDCBHBCXONO-DBFSUHOCSA-N	521.333	6.128	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408788382	CPKOYXDMPJGPLF-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408791940	FOAQOTYMPRBXOP-ZVHZXABRSA-N	618.427	6.364	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	408795534	LMLPIMAIBBCNGZ-PXLXIMEGSA-N	515.522	5.295	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(C)c1	408795792	NCIMEUIHHNZVBG-RGVLZGJSSA-N	536.382	6.189	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408797829	CXNFYCYRNIFYBQ-HZHRSRAPSA-N	618.471	7.285	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2ccc(Cl)cc2Cl)c1	408801705	BBUGVMLAGCFOAM-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Br)cc1C	408813723	NVNRIEZOOIHPKB-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc(F)cc1	408822467	CBPFOWYKAAUGEB-YDZHTSKRSA-N	717.362	8.839	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408827642	LSBYITPFIJEOSX-ZVHZXABRSA-N	709.924	7.955	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408829272	NLYQLFPQFMJHMS-WPWMEQJKSA-N	667.987	9.276	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c1	408829406	NWPDPNGGXAYMDB-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC	408830156	NJBAKVAZCBIYLE-UXHLAJHPSA-N	600.535	5.492	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	408833529	TWRQSHHLFODSDN-MTDXEUNCSA-N	667.987	9.358	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408842464	PMKJHBHZNZKEGV-XZYGTATASA-N	640.589	6.934	50	40	KKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)cc1	408843499	NJPXRQOTSFMRGA-IBBHUPRXSA-N	525.600	6.568	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4ccc(C)c(C)c4)c3C)sc3c2CCCC3)cc1	408845947	NVIBDRFSGAYHFB-OHUYPAJKSA-N	553.732	7.368	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(Br)cc1OCc1ccc(F)cc1	408851208	WKLBGCHMYWNGMU-KBVAKVRCSA-N	535.413	6.412	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408852292	RWIVBRKJHLYZEQ-ACXHZZMFSA-N	523.416	7.210	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)cc(Cl)c2O)cc1	408857441	ODNXJDJTHMDADV-RWPZCVJISA-N	508.803	6.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408884168	WCAKGQQFNXKCEX-DEDYPNTBSA-N	510.999	5.669	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408885691	DZRVXXTZUOEGIN-CXUHLZMHSA-N	566.666	7.543	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408887893	RXFKVHRRHDSUER-LDADJPATSA-N	622.868	5.965	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cccc(I)c1	408890308	REKIKGQNQSTBIH-JVWAILMASA-N	520.326	5.428	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c1OCc1ccc(Cl)cc1Cl	408924890	PILXYQHEUUTRRA-GZTJUZNOSA-N	579.221	6.731	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408946731	PNOHZISBHMFZIF-BIKKEBSBSA-N	665.588	7.704	50	40	KKGB	
CCOc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1	408972235	OBDYGKRBENXGKC-RBGPALPBSA-N	528.436	5.037	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408974126	XMIDYPDUFMHPLG-IMROZSLASA-N	685.446	7.937	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc(Br)cc1	408986942	NWBCAJSAALVDCX-HAHDFKILSA-N	565.895	7.663	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccc(Cl)cc5)cc4s3)c([N+](=O)[O-])c2)c1	408992813	SWPJDZVELGHUMN-KGENOOAVSA-N	626.119	8.116	50	40	KKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccccc1I	409012951	RZHZHCOWZYXTHL-MYYYXRDXSA-N	502.352	5.152	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)c1cc(-c2ccccc2)nc2ccccc12	409033822	GCOREEOIHRLLFL-DPNNOFEESA-N	509.968	7.037	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409044559	GXTZZZKEWCLLSS-MWBNBJEGSA-N	640.335	7.641	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccccc1Cl	409051613	BOJBQPCDQBULRY-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OS(=O)(=O)c1ccccc1	409064764	FGNTVUZNRCUTON-JJIBRWJFSA-N	516.619	5.744	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409074399	QUIVDZJEUHMSCN-GHRIWEEISA-N	517.390	5.705	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2F)ccc2ccccc12)c1ccc(OCc2ccc(Cl)cc2)cc1	409178700	NYDXFDBZIJIFRY-XZYGTATASA-N	539.006	7.554	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1	409219125	NLCYRABEOLPZCC-HQDYHJHZSA-N	618.042	5.610	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccccc1Cl	409248516	DNGVRQXRDVRQSW-UNOMPAQXSA-N	615.855	6.215	50	40	KKGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	409258013	VPTKORDJJVEZTE-LQKURTRISA-N	528.834	5.941	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1	409263944	IUCYIPTUKDVGFZ-BKUYFWCQSA-N	517.969	5.307	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OCC	409309766	MCTLCLMJWQRFLN-LJUMEUDFSA-N	554.043	5.626	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409369015	XLQVXJYWJZZWTO-UWVJOHFNSA-N	514.206	7.279	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1	409372322	VNRZFZKPMYEAPV-IUXPMGMMSA-N	504.167	7.307	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409387453	QPBGFOFEOMOHHG-MOSHPQCFSA-N	563.994	5.097	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)[nH]c12	409394426	AHDCIZNOUPXEGC-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409394623	CWZRYAPVNMZCNP-UHFFFAOYSA-N	740.202	7.834	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409395160	KMIPIGKNUPQUAJ-UHFFFAOYSA-N	697.369	7.913	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccccc1Cl	409395457	NVTXIHVBLAFFLX-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409396775	BBEDLNZTSRBQHR-UHFFFAOYSA-N	558.388	6.182	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409396826	BPZKMWAUCKXHAJ-UHFFFAOYSA-N	538.003	6.870	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1Cl	409400404	CUSVBOZITRNGOV-UHFFFAOYSA-N	618.517	7.924	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(Cl)cc3Cl)o2)cc1	409404796	RAWKQUZYHGMWRS-HTVDVWKISA-N	667.933	8.477	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1	1790256	CQJZBAWLOTZMBY-LQKURTRISA-N	534.483	6.063	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1Br	3144829	CTXFEXXQTBKSIQ-LUOAPIJWSA-N	568.693	7.086	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1O	3314983	HJMSIRHGHBGYJC-NJZRLIGZSA-N	548.064	5.904	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(C)cc3)n2-c2ccccc2)c(OC)c1	8396780	PJALDTLYUXNAJS-IJPJQRGBSA-N	544.681	5.226	50	40	KKGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N/N=C(/C)c1ccc(Br)cc1	8397850	INZBLDRXMNTSMB-PTXYPZRJSA-N	527.492	5.168	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)cc2Cl)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	8837801	POYZWDJCRCUSRH-GMAHTHKFSA-N	504.377	5.056	50	40	KKGB	
N#CC(C#N)=C(C1CC1)[C@H]1[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	13597150	VJZCKEQNVPBUPV-LYBRAKKWSA-N	502.017	6.961	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)c(OC)c1	20247427	ZHVBEAGOLSRYTP-HYARGMPZSA-N	524.577	5.178	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl	59117236	VUINYIFZECYJTQ-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1	83324836	LGPBNYRLGHCRDH-FSGOGVSDSA-N	515.407	5.414	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1cccc(OCc2ccccc2)c1	97940084	QDMWISHTUMXZCA-NDEPHWFRSA-N	566.683	5.875	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccccc1C(F)(F)F	97951476	NUQLZWVXHGGWQI-HSZRJFAPSA-N	547.986	6.156	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c(O)c(OC)cc(Br)c2Br)cc1	97962633	GPVRIJDDMATYOE-NIFSSMNESA-N	644.364	5.693	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C#N)[C@H]1c1ccco1	98048595	OOVISWBMYAZVGF-SANMLTNESA-N	615.077	7.529	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	98048645	GJPVZCQSEWHNMX-RUZDIDTESA-N	587.023	6.336	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	98048910	RJRZNTFXSTXHBA-XMMPIXPASA-N	572.996	6.658	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)c1	100124949	ZCUQKAXBABXTSV-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126432	QEGMNYLHWCJVTC-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1C	100127617	QXHHZEDMMRIMRG-NDZAJKAJSA-N	530.650	5.111	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	100343514	NDUTZLIIKQFLGV-HNSNBQBZSA-N	601.729	5.024	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(C)cc2)cc1	100380211	ZKYIYRDVHMYFNT-FDAWAROLSA-N	581.163	6.123	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100864222	RDJUWVBSZRSBSZ-DXJNIWACSA-N	548.112	6.526	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccc(Br)cc3)C2=O)cc1	100990642	YRTZIVDAMADWIA-JSIHEXFSSA-N	522.424	5.093	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3/CC(=O)CC(C)(C)C3)cc2)c(Br)c1	101641694	JYGJEQCEPGEERN-ONUIUJJFSA-N	536.264	5.964	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Br)cc1	101749170	PEVSVMYOYHGIPT-MNBJERMJSA-N	559.416	5.113	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2	103083485	IYDHHXGLIHFATH-VKAVYKQESA-N	562.047	5.453	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	103883120	IBLOCWNJFUXVQM-NDENLUEZSA-N	561.296	7.135	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889483	KJOJIKSKYXPQQD-IUXPMGMMSA-N	561.650	7.406	50	40	KKGB	
CC(C)=CC[PH](CCC[PH](CC=C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	104216739	QPHUKLKJVIKVES-UHFFFAOYSA-N	552.723	8.111	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	108037332	DPMAIZMCIHWYPQ-BZFSWPTRSA-N	572.668	7.430	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2N2CCCCCC2)c(C(=O)OCC)c1C	108352703	SDIOWABZMNMSIL-ZHZULCJRSA-N	553.637	5.417	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)c(C(=O)OCC)c1C	109061586	AXCQISNFKHFSJQ-KGENOOAVSA-N	552.048	6.361	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	150392097	LLRJBIKPMGWRMQ-UDWIEESQSA-N	634.255	6.583	50	40	KKGB	
CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1)N2	150415280	VNGLZAQKXPQCPS-PYHODHCZSA-N	663.579	8.683	50	40	KKGB	
CC(C)N1C(=O)/C(=N\NC(=O)CCCCCCCCC(=O)N/N=C2/C(=O)N(C(C)C)c3ccc(Cl)cc32)c2cc(Cl)ccc21	150483653	MRVQHTABJZDSOV-UBRDZIHCSA-N	641.600	5.965	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164701934	GPBUSKWOQPXCRW-HMAPJEAMSA-N	719.317	5.429	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)[nH]c2cc1C	408541760	DPBVVJKAJTUSRQ-GIJQJNRQSA-N	527.249	7.892	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	408570140	RYFKVOCMIIWZEN-CCVNUDIWSA-N	587.517	5.734	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1OC	408581592	JGWAYJPPWFPBSJ-YBFXNURJSA-N	544.423	5.615	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1OC	408583581	VNCAPHFUIAVBMO-UDWIEESQSA-N	507.384	5.856	50	40	KKGB	
C[C@H](NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1	408607960	GAVAVNFJMGUDGN-VMJBBSNPSA-N	504.801	5.553	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)ccc1N1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O	408647451	JGTCNTHULGFEIE-CYFREDJKSA-N	558.845	6.001	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(I)c1OCc1ccc(Cl)cc1	408710911	WCNLSMDOJKTFCN-XODNFHPESA-N	643.703	6.457	50	40	KKGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408729447	ZWTZMYDFZKIQAQ-BIZUNTBRSA-N	576.074	5.594	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(I)c(N(C)C)c(I)c1	408738855	WIWLHYPEOCBHQL-WUQZZNSYSA-N	708.382	5.385	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408746062	WYMQZDJFCBTBSO-JAIQZWGSSA-N	568.367	5.431	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408748014	XBOVTIWSWZCKLF-SXGWCWSVSA-N	716.993	7.703	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408748169	ZLCHSQQSQDKHBW-CHHVJCJISA-N	659.987	8.406	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1Br	408761450	FMPNROXYQMTUCP-LDADJPATSA-N	512.201	6.336	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1cccc([N+](=O)[O-])c1	408762883	CGNJNSKYSWYVEY-BKUYFWCQSA-N	518.367	6.210	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	408773173	POVPCGWSPVZCFZ-CVKSISIWSA-N	555.281	5.492	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)c(C)c1	408789660	QRYAGXKGLCJADT-UDWIEESQSA-N	587.255	6.795	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1	408791258	XTPQTWVGUQHADN-GRSHGNNSSA-N	575.244	6.217	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1	408793581	FUKASNLURKBTOU-VXLYETTFSA-N	652.245	6.722	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1	408796310	XUPHQXGYPJFCBT-XDHOZWIPSA-N	617.237	5.965	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3Cl)cc2Br)cc1	408797348	RJKXBHQHQJTFGF-UDWIEESQSA-N	525.830	6.798	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408799156	YGWFFNSVMGANFC-KEBDBYFISA-N	506.787	6.407	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408807006	BTUKIMVVJYJDBC-GXBUFBABSA-N	656.480	7.308	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408809281	GNDCVINEVDAUCX-VPUKRXIYSA-N	521.231	6.832	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1ccccc1Cl	408817808	WJABVBYFCZYGMO-XMHGGMMESA-N	507.804	7.925	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1Cl	408818883	ZELNOKYKZFQBBX-NTEUORMPSA-N	518.784	7.014	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408821832	KQGBRICKEOOOCP-JJIBRWJFSA-N	573.874	7.806	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccc(C)cc1	408831017	UJKZAZPCBGJLMT-UZWMFBFFSA-N	542.705	5.619	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc(F)cc1	408836848	WFWHFNUKMUSYJZ-BUVRLJJBSA-N	680.368	8.453	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2cccc(F)c2)c2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408843560	MCSBMLDYZVKTAP-XJECJHNESA-N	580.088	8.113	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccccc1F	408847341	VDQJJMVTGQJORK-MWBNBJEGSA-N	601.103	8.088	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408850839	SAEILEGYRDLPDF-KMUKQRDJSA-N	735.376	8.071	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1cccc(C(=O)O)c1	408854462	GFHZUSSVJBVNQZ-UUYOSTAYSA-N	621.431	5.324	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)c(Br)cc1OCc1ccc(Cl)cc1	408858381	OYOKQMIYYKAPLS-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408860692	CAKBELLFGICVEA-JOXMEQDKSA-N	666.121	7.745	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408861557	SOLNQZIMZXDLSS-KNBZMSCYSA-N	612.322	7.084	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408864481	WDXDAKGFBHMCMI-RUMWWMSVSA-N	557.672	5.318	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1OCc1ccccc1	408874288	ZUMGBHUQFYIXAY-YSMPRRRNSA-N	514.363	5.341	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c2cc(Cl)ccc2OC)cc1OC	408874328	ADLICSGHPLAUSL-ALQBTCKLSA-N	654.141	5.299	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1Cc1ccccc1Br	408880001	IDJFTYCTBYEDHN-RQZCQDPDSA-N	571.225	6.265	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1Cc1cccc(F)c1	408882344	MONMKDBDGJRSEB-SRZZPIQSSA-N	554.403	6.582	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	408883155	TWHAXFOSRWRSCA-CPNJWEJPSA-N	572.371	6.284	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	408886786	JCCHFRBPOIPZES-DEDYPNTBSA-N	510.999	5.669	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1	408889813	JIIPRVDBYRJHFS-WOJGMQOQSA-N	556.800	6.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1	408891625	UDKACJBQUNGWCQ-YBFXNURJSA-N	526.376	6.733	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccccc2C#N)ccc2ccccc12	408949080	QJAIDPZNADXEFB-XIFFEERXSA-N	633.730	5.175	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccccc3F)ccc3ccccc23)c(OC)c1	408949466	FNUCSTROCYQEDY-LUZLDADYSA-N	640.668	5.287	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	408956259	QEWYDXXPGJQHGC-LSYYGSJISA-N	705.979	5.963	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCCSc1cccc2ccccc12	408970268	DXPMVZGPHRNBSX-LYBHJNIJSA-N	524.642	6.964	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC	408971942	MLMVPDQICCRTJX-GRUJEIAESA-N	651.385	6.198	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(C)cc1	408985873	YOMWMNNQKOZXRA-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccc(C)cc4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408993870	XPHSCIRXTOMTIE-OATUGGLUSA-N	682.784	7.244	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccnc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408995035	KXOPQRPIGUIEQO-YPXUMCKCSA-N	588.083	6.265	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409003968	WBCLVLPAJBQUHH-IHMSYIQPSA-N	635.356	6.802	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2cccc3ccccc23)cc1	409010601	CMBIHYMVOIZOLB-WVHTYMOGSA-N	570.601	6.450	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccccc1	409037011	MPMQTBMJFKHNEO-ALQBTCKLSA-N	583.113	7.949	50	40	KKGB	
Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4Cl)c4c(C)cccc34)c2c1	409037612	XZAKRPJBPPYMHG-GZOMZLSJSA-N	591.542	8.901	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12)C(=O)NCc1ccccc1	409047634	OZCFITWXEDFPRP-YDZHTSKRSA-N	576.288	7.167	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	409050835	AVDXBSUQWPZMIX-XODNFHPESA-N	536.253	6.806	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(Cl)c1	409053228	NEZVGMMVNOJVPJ-LUOAPIJWSA-N	526.645	7.061	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccccc1	409059143	UGTMUQNFQGPYFK-XDHOZWIPSA-N	520.383	5.329	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409064653	DXADHQJQZCDHKN-LFIBNONCSA-N	558.841	6.209	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)c1	409079677	KXWINIIUGIHUNO-OVCLIPMQSA-N	625.195	7.785	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409120051	UNTGWBCHTXNVPH-STBIYBPSSA-N	512.075	5.600	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2cccc(Cl)c2)cc1	409126857	BTXUXBZHXOSOKA-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C)c(OC)c2)cc1	409154743	OHJJWHYSXLWACZ-KBVAKVRCSA-N	611.493	5.051	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OCC)c2)cc1	409161961	XSDUTARWDLTWKT-DPNNOFEESA-N	595.096	5.641	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1	409184000	HNQGXPQNBWFZNT-AJBULDERSA-N	531.600	5.761	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)cc2c1	409186838	ILVWAEWMNMCKIS-FTCYSYDXSA-N	552.241	7.788	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2o1	409195125	RKVUUMOAOYOZTO-FXMZOFOKSA-N	587.832	7.001	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1	409218225	DNTVYOYJDFKCEV-DEDYPNTBSA-N	519.985	5.619	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)c1	409221915	BORZDYFRJONGDT-CFQFWYOCSA-N	632.898	6.746	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409222413	CEKHEOYLDWRCNX-UHFFFAOYSA-N	587.386	5.593	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(C)=O	409226015	RFJYBQGYVVIKFG-UHFFFAOYSA-N	620.445	6.163	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccc(F)cc1	409243632	ZEPWGTBMMGJKEW-HMAPJEAMSA-N	523.402	5.832	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1cccc(C(=O)O)c1	409244229	ZVISCXNZRYFZEF-MTEVNVADSA-N	582.394	5.361	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409246228	GRVRBAIDPFRHLX-PXNMLYILSA-N	800.094	7.644	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1	409251312	PKJFZKWACFOKFO-LICLKQGHSA-N	557.198	6.201	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)cc1OC	409321353	HFHAUEHTBXIGEF-ACXHZZMFSA-N	612.318	7.115	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409361333	GYPVYKAYPBAJLN-MBTHVWNTSA-N	587.414	5.487	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409364455	PQNCLRGFMAZYHA-ODQASSKESA-N	755.997	7.741	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1	409393428	XETOXHQXPFRXHR-KPGMTVGESA-N	566.883	6.796	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396359	NHMJUFBROUPWHE-UHFFFAOYSA-N	586.019	7.018	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)cc1OCC	409396757	ATXHSMDHIYGJSM-UHFFFAOYSA-N	616.501	7.922	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397484	KIZGDXBPQXMEOX-UHFFFAOYSA-N	567.985	6.209	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409397918	PMWQZLPPFFTPCY-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409397925	PNLRCFSSVVGWKT-UHFFFAOYSA-N	596.392	8.144	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3cc(Cl)ccc3OC)[nH]c12	409398408	SVPAXCIZCJDODV-UHFFFAOYSA-N	552.030	7.042	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c([N+](=O)[O-])c3)o2)cc1	409402982	LOXXPPXVOFJNCT-RODHXAHZSA-N	704.509	6.857	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccc(C#N)cc4)o3)o2)cc1	409410421	WZELKEKZWVRELX-CAQPMQTCSA-N	504.546	6.162	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)OCC)cc1	1529549298	XDBGMOBVXJGHES-ZXFVVSEZSA-N	699.613	5.634	50	40	KKGB	
COc1cc(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1Cl	1531386397	CUSVBOZITRNGOV-VHFSBPNMSA-N	618.517	7.924	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1OCc1c(F)cccc1Cl	1783716	ATYLNCCRFWQOKT-FZZNPWPASA-N	569.058	5.428	50	40	KKGB	
C[C@H](Br)C(=O)Nc1ccc2nc(SCC(=O)n3c4c(c5ccccc53)CCCC4)sc2c1	1835306	MESHIPMMEMMGHS-AWEZNQCLSA-N	528.497	6.284	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3sccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1835912	JHDHEQDYRSNXPH-LQKURTRISA-N	503.697	6.153	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	2177606	DEPHTQGMDQMPLY-UZWMFBFFSA-N	541.673	5.224	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1c(F)cccc1Cl	2698157	KDLXOYSNWZRLRC-KKMKTNMSSA-N	545.825	5.127	50	40	KKGB	
O=C(NC1CCCCC1)NN(C(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1	3768100	KFUNVQYIHAFWPB-UHFFFAOYSA-N	548.894	6.811	50	40	KKGB	
CCOC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	4048165	KCDKIKPDHLMOAY-YSUFFMFVSA-N	577.917	8.117	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)C(=O)N(CCCl)CCCl)[C@@]4(C)CC[C@@H]32)C1	4722566	GUCZUMLMUMDVHF-JBZGATTQSA-N	512.562	6.439	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)C(=O)Nc1cccc2ccccc12	6144498	FJSJYSYIPUUXCL-HEHNFIMWSA-N	521.558	5.236	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Br)cc1)N2	6445798	KYBQEDLMFBSDRF-LVTPPWGZSA-N	594.940	6.043	50	40	KKGB	
Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C(/C=C\c1ccc(N(C)C)cc1)=N\NC(=O)c1ccccc1	8653412	PMLZTTJCGDDWEM-SAPQOCJDSA-N	526.622	6.017	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccccc1	19949169	ZJVZWKLUFDUNOG-UHFFFAOYSA-N	518.123	6.621	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1	20764910	VFNXFQGUUPQHBQ-RWPZCVJISA-N	515.379	5.729	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@@H](C(=O)c3cccs3)[C@@](O)(C(F)(F)F)N2)c1	33353854	PBXUZQLZGBJTIX-JCYRPKCISA-N	608.063	5.954	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NCc1cccs1	59087068	XMCPJSNGDDTJHD-LICLKQGHSA-N	510.844	6.390	50	40	KKGB	
COC(=O)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	97958929	HDZJWRRHWAEVME-MUXKCCDJSA-N	540.432	5.270	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	97965665	CFNVJXDCDBJHIU-ADHDEERNSA-N	705.602	7.806	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC	100045347	NKVQSIOIBVDXOW-STBIYBPSSA-N	562.475	5.303	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccccc1	100123039	CUBUYEQGTNSXNC-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)cc1	100125446	CYXHLRLWGLHBEC-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)NC23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1	100809958	GICOFILPJAFQFK-LFWKVGIUSA-N	515.742	7.658	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1O)[C@@H]1CC1(c1ccccc1)c1ccccc1	101993365	YXRFZANKERGZIN-FOGHPNEFSA-N	608.217	5.058	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	104402911	SRBKOLLIQRRKCS-UVHMKAGCSA-N	611.128	6.716	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	105475535	RWUDPGOWBKJONB-WKULSOCRSA-N	529.862	6.752	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccc(C)cc2)cc1	105585749	AUKGSVQJIBHCGZ-RUMWWMSVSA-N	557.672	5.318	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccccc1Cl	108248044	WEZJSSBOJMDQRA-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(Br)[C@H](Br)CCC[C@]4(C)[C@H]3CC[C@@]21C	123220181	VYXNUQWHPGRLNR-NBGJRJMZSA-N	530.473	9.389	50	40	KKGB	
CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341735	QGHZNZSVANDDGP-MRXNPFEDSA-N	720.383	11.645	50	40	KKGB	
CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341779	DAYCMMIMPLTFPC-QGZVFWFLSA-N	884.431	13.941	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	164315812	AMMYPDVBRVCPLQ-OYKKKHCWSA-N	629.352	7.691	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	164737931	GSEZRKSBHYNGLL-WDZFZDKYSA-N	613.020	6.147	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2OC)ccc1OCc1ccccc1	408540494	SNFPVJHIWDCRCS-WPWMEQJKSA-N	536.584	7.224	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543199	NKMMOWAEKFQALH-KYHGBAKBSA-N	659.375	5.954	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550644	FYKWGEHIGBJOLJ-CXUHLZMHSA-N	579.267	7.262	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)ccc1OCc1ccccc1	408553634	OTKXKADMVXVVDU-MJXLXAJKSA-N	612.897	7.016	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1	408657608	NGAIVPYPYICHAW-INRYPTDDSA-N	673.420	7.217	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408663049	YCHXPHJCPHJKQY-WJNKUABFSA-N	828.135	6.993	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc2ccccc2c1	408740175	AHJUYUQLVLJSNO-UCQKPKSFSA-N	560.391	6.578	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408745282	QURAZAIYWCFJLC-ZDLGFXPLSA-N	654.673	6.982	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(Br)c1	408754024	LPHXSSCXOQFOPB-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408757650	BHRNSHGMFYYQSY-VWJSQJICSA-N	556.928	7.231	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)Nc1cccc(Br)c1	408762036	CEZOHRIEEYNNKH-JYRVWZFOSA-N	506.581	6.671	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)c1	408763818	PBWWUSHMKAYUEO-LICLKQGHSA-N	602.419	5.078	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408777211	WVHSUHFURJGRGD-VYYCAZPPSA-N	511.507	8.389	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408792896	BWKWGPGVVMWIPX-LZYBPNLTSA-N	602.195	6.153	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(C)cc1	408795365	MDRILJQFZOMPRP-GIJQJNRQSA-N	593.248	7.040	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1	408798678	WMCWBBUYDJQRSS-VCHYOVAHSA-N	607.673	7.140	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2I)c1	408821194	DMXKFDMFKCBOGI-UNOMPAQXSA-N	512.322	5.863	50	40	KKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1Br	408821540	IRNRATDXUSZLFH-PXLXIMEGSA-N	505.412	6.671	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408825960	SFIZRXUAHUATKL-LGUFXXKBSA-N	668.385	9.068	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Br)cc4)cc3)cc2)cc1	408831468	QUUKCLLVQJBYPV-NLRVBDNBSA-N	553.456	7.461	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408835530	XSHIWXGAXZNWDY-OVVQPSECSA-N	593.510	9.159	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2cccc(Br)c2)cc1	408841561	LHDVSXUBDXPXGL-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)cc1	408847503	NFMFEEYFILWNJK-ZXSNDDASSA-N	503.577	6.935	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc(Br)ccc2o1	408852548	HLKATDQQYMSVMV-AQLQTECXSA-N	612.705	8.107	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1OCc1ccc(Br)cc1	408854839	ABHONQDUDOIOGL-KKMKTNMSSA-N	506.227	6.716	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408865085	AYPZKPRJJZGZIQ-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(Cc2ccccc2Cl)c(OC)c1	408867209	KEDKEFAOAKCDIK-UDWIEESQSA-N	509.831	6.810	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc2ccccc12	408876793	QWZULUWDOWHTNQ-LPYMAVHISA-N	595.415	8.144	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)c(OC)c1	408882761	NWIQKJBCSDLALB-SSDVNMTOSA-N	532.394	5.140	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)c([N+](=O)[O-])c1	408885804	AZSIXPKXDIFJRD-VXLYETTFSA-N	507.930	5.699	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1Cl	408886251	JBDADLLTFMFNFO-KVSWJAHQSA-N	512.220	7.042	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl	408889590	FSLMUQZPNKSYER-WOJGMQOQSA-N	512.349	6.425	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1	408894459	IFMIPSKEBWLCNW-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2)cc1[N+](=O)[O-]	408897502	XJVRIUOIZCPBJZ-OVCLIPMQSA-N	577.358	5.432	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)c(OC)c1	408925007	RMTCOQZUBZFMDN-HTYRSFMPSA-N	697.792	6.848	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1	408950776	SJGMZOAUBFDXBA-NDEPHWFRSA-N	627.550	5.457	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCc1ccc(Cl)cc1	408955353	OOCRRTVGWUYVEM-TXFJQYODSA-N	647.128	5.376	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408971088	LVCYGCHSWFUAMR-RWRYAUHPSA-N	624.952	6.871	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OC(C)C	408971141	MWSWXUJIHLDXHO-HAWXQJAFSA-N	586.516	5.824	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccccc1	408986043	LJOQLBQWUGRLCN-ODLFYWEKSA-N	558.803	6.386	50	40	KKGB	
COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993424	CSCGLGYSAMBKTI-XOLBZRCJSA-N	676.196	7.314	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1C	409011549	GFUTYZXNQHWILX-SCNJMARLSA-N	551.474	5.439	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccccc1Cl	409015661	CUGCEFPRNLJTOE-DBFSUHOCSA-N	517.796	7.135	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4Br)c3C)cc2)S(C)(=O)=O)cc1	409027787	RLEBHZPPXUMJRP-FDAWAROLSA-N	593.547	5.895	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1	409070511	YSXKTRILYUXMOT-NBVRZTHBSA-N	512.971	5.061	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409129451	GDOOOUHUZWEGMP-NRFANRHFSA-N	597.090	7.021	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409132888	RWPJYFFTHGJFGJ-RUZDIDTESA-N	611.493	5.328	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12	409179577	QJKPZVLRMHKGCV-KQSNKGFRSA-N	606.638	5.644	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(C(=O)O)cc4)c(I)c3)cc2c1	409186481	COPYOTIKKCZOMN-DBFSUHOCSA-N	710.262	6.082	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCC)c(Br)c3)cc2c1	409186925	JQWVVSWBNDQJET-KSEXSDGBSA-N	510.182	5.519	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4C#N)c(OCC)c3)cc2c1	409187854	VCNJKTJJKICJAW-ACXHZZMFSA-N	562.420	6.207	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409214430	SZWVSVRNUZGECN-UVHMKAGCSA-N	562.873	5.371	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccco2)c1	409217643	DXSRISWKFRCLKJ-UHFFFAOYSA-N	656.243	5.948	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(F)cc1	409222618	CLIRGMPLKGCDQS-QLTNSANVSA-N	570.402	6.192	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccccc1Cl	409234022	XUGCOUOCIOMWGB-MUXKCCDJSA-N	519.798	5.912	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	409249590	JWTYPAAYLXHDSB-LICLKQGHSA-N	585.252	5.789	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)ccc1OCc1ccccc1	409251759	QNWUMOSWNJXUFK-WBIBEUCMSA-N	660.565	6.834	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1I	409255249	YPEVNGZTXRCFBK-QDTIIGTASA-N	639.206	5.178	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409260023	JKCUYICYIZXQOM-YBFXNURJSA-N	552.400	5.777	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br	409309491	ICXFABCQPHDDLA-HAHDFKILSA-N	541.445	7.309	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OC	409316167	LFMFOQBJPXVIQI-LQNQUEJISA-N	538.000	5.094	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1OC	409321235	GZYKFBRPKPXFKN-MNBJERMJSA-N	500.982	6.410	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OCC	409326028	FRYCFCSDFIRMBS-MNBJERMJSA-N	596.478	5.593	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OCC	409333971	PZDFURDOGBMESU-LJUMEUDFSA-N	573.459	6.517	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Br)cc1	409371001	CDXFRJGXYWZIOE-ZMFRSBBQSA-N	532.778	5.291	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc2ccccc2c1	409371152	BRIULITXTNBYTM-UCQKPKSFSA-N	502.383	7.783	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1ccccc1F	409371792	ONFYJSHRWNZEAA-SXGWCWSVSA-N	599.156	6.817	50	40	KKGB	
N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc(I)cc1	409372981	RJRFFTFYVVNWFL-WQRHYEAKSA-N	506.170	7.241	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)[nH]c2c1	409374597	UOHTWSHSWADMNB-ZDLGFXPLSA-N	536.329	6.027	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCC	409393020	UQQHOGQLASCFJH-PKAZHMFMSA-N	528.390	5.371	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409394846	GQMIKZREOLFYPH-UHFFFAOYSA-N	724.793	8.521	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)o2)cc1	409400106	BITOQSBNUQKNNL-AEUUOICLSA-N	689.506	6.912	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	1529546707	GXEHJQGOHOEFFM-FFJVLKFKSA-N	601.773	5.277	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccccc1F	1529548517	ICXQZQRFJKPMSX-RSIBHDLFSA-N	646.741	5.027	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2ccccc2Cl)c2ccccc12	1529548912	PVMBYSSEJRSYKQ-KCSCOJLBSA-N	630.170	5.536	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	1845162	DSGPVGONIRQEOP-AREMUKBSSA-N	560.075	6.117	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	2635932	ODYQWCXEWNHBCE-MHWRWJLKSA-N	516.501	5.124	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	2679950	NDPFWUTZKNREQR-UHFFFAOYSA-N	594.372	9.604	50	40	KKGB	
O=C(c1ccc(Br)cc1)[C@@H](Br)[C@@H](c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-]	4409368	GMMLPTGIJBFXHR-HKBOAZHASA-N	503.190	6.197	50	40	KKGB	
COc1ccc(C(C(=O)NN(C(=O)c2ccccc2)c2ccccc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1	8386574	UFZALILBDRGFKC-UHFFFAOYSA-N	581.499	7.715	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	14151688	FJZNVHYFDWETGJ-XDHOZWIPSA-N	518.436	6.386	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	20348549	KKFMBNUHGTUIKI-XMMPIXPASA-N	510.015	5.146	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(F)c3)nc3sc4c(c3c2=O)CCCC4)cc1	32577040	WTILILJWNQMURK-MUXKCCDJSA-N	506.628	5.016	50	40	KKGB	
O/C(=N\c1nnc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)s1)c1cccs1	33376854	NGACNVBFYVUNQF-SVGFKBNWSA-N	507.504	5.364	50	40	KKGB	
C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C\c3ccc(-c4ccc(Br)cc4)o3)c2C(N)=O)C1	51364637	QKJSKFUCAXEKTM-LKKYZFDUSA-N	510.413	5.540	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1cccc(F)c1	59336520	FSAGNRQFKYEHDS-NDENLUEZSA-N	511.380	6.994	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	59856357	UPKNZWPMMYNFBZ-RUMWWMSVSA-N	610.961	6.960	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCc1c(Cl)cccc1Cl	95752828	KUWHRDVARISCMH-KMUKQRDJSA-N	577.508	7.436	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(O)c(Br)cc1Br	97965035	JFFFPERVSHTGJV-AUEPDCJTSA-N	541.037	5.526	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)c2C)cc1C	100123050	OUROYHZSJGJGBB-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1	100221211	MTTCCHUNGIBABO-JJKQSNDFSA-N	562.976	6.970	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccc(O)cc1	100851158	WJMAOESHMBYLDZ-WGOQTCKBSA-N	522.428	5.035	50	40	KKGB	
Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2	101611984	BKEKRDZIPDEHGB-NJZRLIGZSA-N	528.436	6.506	50	40	KKGB	
OC[C@@H](I)CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F	103536653	NTJQBCMWSLFVDR-VKHMYHEASA-N	504.024	5.116	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=C\c2cc(/C=C\c3ccc(N(CCCl)CCCl)cc3)ncn2)cc1	104050324	YIJMCPJPUKDEJH-NDBDHSCESA-N	564.388	7.385	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1	104899153	RGBDNMQQIHMTCJ-XODNFHPESA-N	520.800	5.713	50	40	KKGB	
CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341191	HAFDKCYNLLRXIT-BYPYZUCNSA-N	902.108	11.411	50	40	KKGB	
CC[C@H](C)C(=O)O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21	196384978	SQMOQKQEYJNUJJ-CXNOCVNNSA-N	635.047	8.979	50	40	KKGB	in-vitro
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	226691440	YFWOQBGFDUWONH-FBZNDBCCSA-N	564.085	5.819	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccccc1[N+](=O)[O-])N2	245232335	SQGCIXUYPNCNFP-AEXWLAFLSA-N	561.041	5.189	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C	253499362	FOKBFEZNNMIQGR-UTIBMMPFSA-N	505.227	9.491	50	40	KKGB	biogenic
COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCC[C@@H]2[C@H](C)P(C(C)(C)C)C(C)(C)C)cc1C	261361414	MUYKQLVEXOTWSJ-RFYMFKDESA-N	542.725	9.006	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1	408539998	LONDRHQPJCAYCP-HQDYHJHZSA-N	579.480	7.323	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccccc3C(F)(F)F)cc2Br)ccc1OCc1ccccc1	408540202	OOKBUZDILNSTSL-ADJDCTSUSA-N	706.353	8.551	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408541390	ZIYGHNLBHHOMGG-APTWKGOFSA-N	589.486	6.778	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408555034	VAMBJIVEIJSLAQ-LICLKQGHSA-N	609.477	5.972	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1nc2ccc(F)cc2[nH]1	408567552	ONGYMRZDPAVNAD-CHHVJCJISA-N	517.185	7.414	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1nc2ccc(F)cc2[nH]1	408567727	GFZNSKZWJZCZTG-CHHVJCJISA-N	639.181	6.693	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408568503	JXEMXBWQZBSRHJ-CCVNUDIWSA-N	665.531	5.795	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1OCc1c(Cl)cccc1Cl	408610855	URTRYBOSOGQQQJ-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408645592	SMDJMDWMDQPBES-NFYRHNLVSA-N	749.045	6.933	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408653334	PNJVJEXTVQHKSV-VZJUQIMDSA-N	759.791	5.485	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408660191	WKTOMXHUKZXTGK-NHCVWDHBSA-N	657.186	5.790	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1I	408740494	LCCNOUGUYHXOLB-UVHMKAGCSA-N	659.693	6.285	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)ccc1I	408746984	IYNJRVYZIUPCGS-CCVNUDIWSA-N	602.270	6.138	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc2ccccc12	408755403	LBNPTLWGSRMYQH-HAHDFKILSA-N	525.402	6.930	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408763485	FTRUQPKQCGRWBV-XNTDXEJSSA-N	637.262	5.442	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1cccc2ccccc12	408763991	HQFPJNARAJUPMT-HMAPJEAMSA-N	608.863	7.621	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccc(F)cc1	408765441	PQCVHFJAQGFRCU-HMAPJEAMSA-N	535.413	6.840	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1	408773159	HANXGLAJGLZTEQ-STBIYBPSSA-N	523.964	5.403	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408773263	QFTWOTWFAKSJHU-OVVQPSECSA-N	548.890	5.455	50	40	KKGB	
C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(I)cc1	408782196	WTHGWBQODNSKTM-JOWQQVNMSA-N	555.441	5.219	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1c(Cl)cccc1Cl	408786970	YUTHNKQYJSYXLR-BOPFTXTBSA-N	546.248	7.279	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1c(C)ccc2ccccc12	408798853	GGNIOGBSHXKANN-MFKUBSTISA-N	616.499	7.893	50	40	KKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408801054	SKBORQJUNVAWAR-VEJKBTLKSA-N	586.211	5.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1c(C)ccc2ccccc12	408803123	LLBWIIYHAJPZCB-YDZHTSKRSA-N	589.917	8.396	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1cccc(Cl)c1	408804433	FYLSINWCDVDDRI-YBFXNURJSA-N	511.803	6.626	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408827038	FQWYAUHZTDLWKS-DPNNOFEESA-N	672.985	6.399	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408827577	KUSZESNMOJOODA-JOXMEQDKSA-N	818.599	7.390	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	408831587	OKMFNJJGGJOQAS-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)cc1C	408837662	KVFKSSUIWWYDKA-OKCVXOCRSA-N	556.471	6.216	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5ccc(C(=O)O)cc5)c(Cl)c4)cc3)cs2)cc1	408839278	PWRGUQBWWINEAV-QNVXDBMFSA-N	631.541	8.210	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408840609	CRRKBCUBAJTKTP-MHDJOFBISA-N	677.920	7.461	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc(F)c1	408845821	LPWRVRHCPOAUAZ-DBSPGSINSA-N	626.526	8.096	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(Br)cc2)cc1	408856773	DREPOFSQDABIOX-KCSSXMTESA-N	626.960	6.336	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408857595	OQBICRHHUDBWHM-AEVGBRMKSA-N	712.269	9.627	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)cc1OC	408866938	JETVIYPSKJNPPL-UCMJSZAQSA-N	653.599	5.258	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1Cc1ccccc1Cl	408867200	JKILVCLLNQZJRL-XDHOZWIPSA-N	525.830	6.646	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1Cc1ccccc1Br	408869137	RRJZUXGGEFEYFK-CIAFOILYSA-N	509.831	6.946	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408879503	GOSBCGPQMXWSSI-UVHMKAGCSA-N	533.875	6.241	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccc2c(c1)OCO2	408882237	NCPCSXFSLDCAGS-KNBZMSCYSA-N	617.467	5.514	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1Cc1cc(C)cc(C)c1	408882503	QIWNTMLJQXEVSG-YDZHTSKRSA-N	550.440	6.752	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408886318	JXFFCBBEXKPYRP-XMHGGMMESA-N	531.793	7.021	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Br)c(OC)c2)cc1	408890006	MLWDZZAPKSTLHR-UDWIEESQSA-N	661.290	6.364	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1cccc2ccccc12	408898045	JTUMZWCVNZQSRO-KGENOOAVSA-N	503.385	7.280	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc2ccccc12	408899879	RKARLOIIVNHJNW-RCCKNPSSSA-N	507.502	5.912	50	40	KKGB	
Cc1ccc(NC(=O)Cn2cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)c3ccccc32)cc1	408904851	PMJODIVXWDRPFL-MUXKCCDJSA-N	518.415	5.815	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc(Br)cc1	408910322	GVONNCIJHYCYFU-RWPZCVJISA-N	511.416	5.573	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1ccc(Br)cc1	408921747	BQWDNRWLGNXQCH-SGWCAAJKSA-N	651.520	8.491	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1OCc1ccc(Cl)cc1Cl	408922159	DOFQQKXBZYQUAI-VCHYOVAHSA-N	512.349	6.343	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C#N)cc2)c(Br)c1	408940125	BVKAGXBPMYMSCY-MUUNZHRXSA-N	741.462	5.547	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(I)cc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	408940984	JFFYQGUUZWAQKI-ULPWCQAASA-N	726.106	6.619	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)c(OC)c1	408956300	QMCKJZMRQPMICR-LBEBILTRSA-N	665.143	5.355	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408968897	CLTSORUQQAOPLV-YACDJIASSA-N	619.332	7.205	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1	408970660	JWLYKHCMXNEZDT-FCMSKLJNSA-N	713.456	7.379	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccccc3F)cc2)c1C	408981848	DBDFITVCDTZTGH-JLPGSUDCSA-N	514.000	7.320	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccccc1	408982664	YNSVSJCCNPSOPY-QALLZDEASA-N	557.672	5.143	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C	409019888	XTHCNSMQIHKBLO-KHIJKKSWSA-N	537.660	5.502	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c(C)c1	409024518	CHOFENIJFZQXOA-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	409025241	OJMYOKHZWADLQR-SNZJCPOJSA-N	570.671	5.426	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)Cc2c(Cl)cccc2Cl)cc1	409057464	QKOUYEGKLUSGEB-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409075490	WGQKBKUYJPFFRH-FYJGNVAPSA-N	514.494	5.365	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCCC(C)C)cc2)c2cccc(Cl)c2)cc1	409120425	VOTFVDKXKNPZTG-RDRPBHBLSA-N	544.073	5.119	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	409177322	DMWAUOMIIAGLDW-RGMZLYFRSA-N	607.022	5.223	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1	409209873	GMNSOAXSAZXWRV-MZJWZYIUSA-N	533.875	6.323	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1F	409211372	NADOAIJWZNMKNX-KKMKTNMSSA-N	584.838	5.914	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409219062	INJQZOYJBDAGCJ-DMPRRNAJSA-N	598.999	5.892	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409221405	PVWUYQHIEGRJKL-SLTFVWKPSA-N	522.630	6.938	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409222300	WOQYKOSCUPEPOS-QLTNSANVSA-N	597.409	5.961	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC	409224255	KMZPUMBSYIPCGH-FZPRHHONSA-N	633.013	5.509	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	409226466	TYIDCVNSEYOFIU-JIMVQGJQSA-N	593.552	5.067	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)NC(N)=O	409253346	UAQNAXDPPKTSQF-IUXPMGMMSA-N	529.188	5.046	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)c1C	409257497	RVTRALNNWMWMJZ-ZDLGFXPLSA-N	617.725	7.045	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5cccc(C)c5)cc4)cc3)cs2)cc1	409264155	NGOSZQGVZUSTMI-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1OC	409318021	SNRLINCZQRZFGX-MWLSYYOVSA-N	552.425	5.112	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1OC	409322409	WQYRGMSXKJSQGF-MWLSYYOVSA-N	554.441	5.336	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2F)NC(=O)C[C@H]1c1cccc(Br)c1	409322779	LATCCVJSROOROW-AWEZNQCLSA-N	539.224	5.061	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1OCC	409323190	ZDKMFYUNGGGHSE-QRQIAZFYSA-N	509.400	5.756	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	409331618	GPWKHHSEEYAZFM-HQDYHJHZSA-N	579.480	7.323	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1	409359216	AGGLLWBHNREEDX-UVHMKAGCSA-N	549.796	5.094	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1Cl	409374668	WDJKROWSAHDLKF-WOJGMQOQSA-N	508.803	7.021	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)cc1	409381051	REVRUGWEDWXKLT-XJECJHNESA-N	646.556	7.651	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409396274	XKOFYBXOFOGJCA-UHFFFAOYSA-N	750.658	9.312	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc(Cl)cc1Cl	409396704	AHAYIDRLLGFDAT-UHFFFAOYSA-N	578.455	8.278	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(Br)cc1	409405049	RWUYSLQYWZOIRM-QJOVZPHJSA-N	642.550	7.770	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC#N	409405965	VNDIDBIWBKDTJD-KYHGBAKBSA-N	547.011	5.985	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCC(=O)Nc3ccc(Cl)cc3)o2)cc1	409406065	VXUMTNJOVLNPPL-AEUUOICLSA-N	642.068	6.609	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(OC)c1	1529544821	OMJGFLHSIFRMDF-NJLXJUSUSA-N	764.642	5.917	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1	1529546538	FZSLLAUETKCRSS-AHKFIOAWSA-N	813.512	6.671	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	1857795272	ZPKWNQHLTCPFJE-BCQDFQTISA-N	663.940	7.851	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1	2085308	UJCZKMIJFFHLRJ-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1cccc(Br)c1	2706410	VTGDLBAQUDBNPB-VULFUBBASA-N	571.298	5.702	50	40	KKGB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1cccc3ccccc13)N2	6475376	XQCNVVBTGRHNPQ-IHQSEMGTSA-N	532.021	7.695	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1	8670875	XPXRPDBMJKTGEX-QNGOZBTKSA-N	509.522	5.744	50	40	KKGB	
CCCCOc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1	11852445	KMWDMCJYZFVDNR-SAPNQHFASA-N	522.424	6.834	50	40	KKGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Cl)cc1Cl)oc1ccccc12	16136922	UBUXQCHUOBOSOT-IPPBACCNSA-N	514.365	5.801	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1	59887935	JLBBWJXBCBINJR-WKULSOCRSA-N	567.882	5.206	50	40	KKGB	
CCCCCCCCCCOC(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N	95681965	BACPNPBYWYKCJA-UHFFFAOYSA-N	547.524	6.538	50	40	KKGB	
Cc1c(NP(=Nc2ccc(Br)cc2)(c2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C	96022862	PDXIEEUSQIFEDI-UHFFFAOYSA-N	557.432	6.758	50	40	KKGB	
C/C(=N\NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)c1cccc(NC(=O)c2ccc(C)s2)c1	97965832	JJCFBWUGAOICSO-DFKUXCBWSA-N	566.749	5.175	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)OC)cc2)cc1	97980781	DYFZVYFZZGXYMP-UZWMFBFFSA-N	587.654	5.016	50	40	KKGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/C(Br)=C\c3ccccc3)s2)cc1	100855468	GNYWZFHQFFXXJE-NFONABDZSA-N	519.515	5.769	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3c[nH]c4ccccc34)nc3sc4c(c3c2=O)CCCC4)cc1	100858844	CSOITYUOFPXIIQ-MNDYBZJGSA-N	527.675	5.358	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1Cl	101905887	VNJSSBBMAOVUCL-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(COc3ccc(F)cc3F)c2)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1	101999719	FFIQLZGBFWDJHP-HMAXRAQPSA-N	612.102	6.331	50	40	KKGB	
Nc1nc(O)c(CCCCc2ccccc2)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)n1	103843361	YJNDGTRDUWMDKJ-UHFFFAOYSA-N	519.629	5.556	50	40	KKGB	
N#C/C(=C/c1cc(I)c(O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103888771	XJUGQZZYXKRHCD-WTKPLQERSA-N	584.966	5.454	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1	104766504	WWQXGPBUECZYKT-HNSNBQBZSA-N	556.018	6.283	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164737408	JJNDEFSCNGBONF-NVNXTCNLSA-N	618.085	8.029	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1Cl	210372317	LFPZTTOTASNASD-KKMKTNMSSA-N	532.474	6.433	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC	408537955	INRBXUQVWMDKMH-HMMYKYKNSA-N	533.894	7.786	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)c3ccc(Br)cc3)cc2Br)ccc1OCc1ccccc1	408540551	TYZDMMXPLCHDBS-ZMOGYAJESA-N	684.222	9.205	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1OCc1ccc(Br)cc1	408541019	AVFCRAQTRLLQBU-UCQKPKSFSA-N	561.432	6.399	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408579381	GOXFTWGYTDMSIL-WOJGMQOQSA-N	518.816	6.251	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc(Cl)c1OCc1ccccc1Cl	408606082	LMDBQNAQFVPAHE-LJQANCHMSA-N	528.436	5.694	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1	408640651	BHUZRCPQWKCFHW-YBZCJVABSA-N	629.132	5.011	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408649351	XUFSLWMIQQFEGG-UCDDGIFISA-N	752.865	5.578	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408671947	UOJJPVLYOKLNDP-BRVVMQMESA-N	638.740	5.033	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1cccc(Br)c1	408728427	MDEHCHMRMFQPOS-RUMWWMSVSA-N	610.961	6.960	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)c1	408741838	OBZLKKHSCJSHAO-CXUHLZMHSA-N	583.351	6.011	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1ccccc1	408744765	ZYBABECFBSYVQV-IUXPMGMMSA-N	650.210	5.749	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)ccc1I	408746771	GVBUBPKVCQFEBL-MZJWZYIUSA-N	568.371	5.283	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc2ccccc12	408756358	RMRCKXAMAZALJK-XMHGGMMESA-N	578.400	5.824	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408758955	VMNXKPXSDQSWEP-TYBAKLTESA-N	680.643	5.076	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C	408774031	VHXUPTDIYRNVGH-VYYCAZPPSA-N	524.108	8.069	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1	408785978	CYTOKIIRDRUCIN-WQRHYEAKSA-N	574.244	6.874	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccccc1F	408790836	ZGRHIKMDAPUQFT-PCLIKHOPSA-N	601.472	7.691	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408791107	UCZLOGFRBMRAIP-UDWIEESQSA-N	580.391	5.667	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1	408798796	XHWRQNPDFGQKBJ-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408805459	KGEPETAHMSQGFB-RGVLZGJSSA-N	720.732	7.836	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408829083	KKHKBQFLLLCJRX-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)ccc4OC(=O)c4sc5cc([N+](=O)[O-])ccc5c4Cl)cc3)sc2c1	408838595	GPQXQQAPYIYOKU-NOPDUFPGSA-N	782.481	9.637	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408840476	YYKMOFHCUNEUJK-AABVJFSESA-N	711.819	8.315	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)c1	408844522	DMMLWALCNRSCCY-QJOVZPHJSA-N	704.406	8.471	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCC#N	408846769	YZDVVDZLNAIUGY-XKJRVUDJSA-N	582.402	5.662	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408847354	VGASXAMICMLDQT-ODQASSKESA-N	743.454	9.125	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccccc2)cc1	408849173	YZGBBYMHYXLCSK-ATZGPIRCSA-N	632.923	7.553	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1	408852565	UFYUBDLLQZQKKP-NHYZDEDTSA-N	529.640	7.194	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc(Br)ccc2o1	408857284	NZGGKJLVUXZJDJ-DANHRZQXSA-N	631.535	8.261	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1ccc2ccccc2c1	408876625	QOMRXULWSAXXLT-VULFUBBASA-N	601.497	6.821	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)c1OS(=O)(=O)c1ccccc1	408889312	CIJMDZCOKMYOJZ-GHRIWEEISA-N	606.292	5.842	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1Cl	408890477	UIZYIFOHRINSCS-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl	408892150	BLDLZEGOUSVKRF-KCSSXMTESA-N	535.427	5.967	50	40	KKGB	
C#CCOc1c(I)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1I	408904605	MCGYCLCZBZOXQT-YVNNLAQVSA-N	638.041	5.134	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408937538	GTTVMFRRDNTHRJ-CLHYIUPASA-N	655.524	7.144	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccccc1Cl	408946396	MUFUSFJVCCUAFH-HHHXNRCGSA-N	706.446	6.220	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2Cl)c1	408946782	AYZJECKWJBFZNZ-UUYOSTAYSA-N	504.417	6.628	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408946884	MYCBRAFUTCEMJB-HHHXNRCGSA-N	696.440	6.764	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Br)o1)c1cc2cc(Br)cc(I)c2o1	408950194	DUZGVQYFBDMLGY-PTXOJBNSSA-N	616.829	5.682	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408966205	NRCIRRRQLFRMTK-RPPGKUMJSA-N	512.291	5.586	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccc(Cl)cc1Cl	408972039	OQKWONWNFFFRGH-IPPBACCNSA-N	513.377	6.490	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1I	408984367	QDSGDENVMCYGJB-AUWJEWJLSA-N	603.638	5.503	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl	409024595	FRGUKVIIQNCXEV-VGSHQSRASA-N	565.095	5.845	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1C	409026767	XPGDDNOEWKKDOH-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC	409030910	FRCQBXMHUMBVNZ-MUFRIFMGSA-N	565.493	6.878	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409030939	FTYWABRDFVCSDD-ZSNJKBEMSA-N	572.665	8.189	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)cc1	409045457	YOQKDULPMHFPJB-RGVLZGJSSA-N	584.264	6.431	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(Cl)c1	409051223	ANIHQBSKTRRJBD-ORBVJSQLSA-N	605.541	7.823	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1Cl	409051965	PCAAGIVLZZFYCI-LUOAPIJWSA-N	554.641	6.655	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409080562	IMYAUIQPRYCOLA-OQLLNIDSSA-N	657.770	7.608	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc4ccccc4c2)c(Br)c1)OCO3	409103297	VWNBKDCPDFLIIT-HHHXNRCGSA-N	527.374	6.128	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409130126	IJUHAJLQTGHCPU-DEOSSOPVSA-N	560.909	6.608	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	409147715	ZXYAOCALVBBINH-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1	409152402	AZDAQPBZUWYSTQ-WCMJOSRZSA-N	562.881	6.884	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(Br)cc1	409192640	DCRGEAOXSHEGHT-WQRHYEAKSA-N	548.275	6.155	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1	409218939	LUSIGDSCUVRBSI-UHFFFAOYSA-N	680.309	6.664	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409219539	RRCILMAMCABVMV-WOJGMQOQSA-N	554.828	5.983	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c2)c1	409219837	VKQOAUULRHSPJW-UHFFFAOYSA-N	695.320	6.184	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccc(C)cc1	409219948	WULJBKKEDBJFTE-UHFFFAOYSA-N	556.018	6.283	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)cc1	409249981	KPYQTBBDIQFJMW-ODQASSKESA-N	753.904	8.822	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)c(C)c1	409252492	CAEHPZZUNRHLSU-RGVLZGJSSA-N	552.856	6.591	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409254056	HKOBHFDNFQSMRF-GZTJUZNOSA-N	540.801	5.674	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409260040	JSNBZSQDAIXJDT-UDWIEESQSA-N	568.855	5.742	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)ccc1OC	409317795	VUQJFRCXTYDIGU-NUJZUDFISA-N	637.858	5.142	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1OCC	409332791	MKXRGZDSDSTXBK-CPDSRJINSA-N	596.356	6.730	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cc(Br)ccc2O)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409368330	YKHOFVDBKRXNNI-ULPWCQAASA-N	613.361	5.728	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)[nH]c2c1	409374356	NKKJSPRKLOTMFS-ZDLGFXPLSA-N	523.228	7.040	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409380073	GWWZEMYBFSBLGU-WOJGMQOQSA-N	573.955	6.329	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	409384779	FKOVAULGCJSIKG-MWBNBJEGSA-N	642.137	7.006	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1I	409385552	LFRMEUVXBIPIBG-UVHMKAGCSA-N	582.379	5.629	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(I)cc4)c(Cl)c3)[nH]c2c1	409392656	RBFLMVZCPHUYHV-PXNMLYILSA-N	576.221	7.126	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1	409395057	JIIKIGFJIFTTRR-UHFFFAOYSA-N	647.323	7.352	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409395074	JMQBPBGITHRJQL-UHFFFAOYSA-N	676.181	9.194	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1	409395718	QXQWGFLLLHKFQM-UHFFFAOYSA-N	685.756	7.988	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1cccc2ccccc12	409403345	ZUEUSGIPHUXJCF-XFDYYPNTSA-N	634.132	8.424	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Br)cc1	409405992	VQEUHFOWYNFOLF-AEVGBRMKSA-N	734.445	7.881	50	40	KKGB	
CC1(C)c2cccc([C@H](N[S@](=O)C(C)(C)C)c3cccc4ccccc34)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21	1857794983	CYZPTSBGUJWVQC-OUDQIDCQSA-N	653.828	9.171	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)N1	1067366	ULRPTGSNMOZKFQ-VWLOTQADSA-N	569.539	7.070	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(Cl)cc3)cc2)sc(C)c1C	1785456	KBDWCINZSRFWNC-KXVDBBMMSA-N	528.030	5.365	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Br)s3)n2C2CCCCC2)cc1	2218406	WZKQFTSCHXVZSJ-ZMOGYAJESA-N	518.506	5.825	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)NC2=C(C(=O)CCC2)[C@H]1c1ccco1	2230416	VMXQELLTYHEXAU-AREMUKBSSA-N	544.032	5.965	50	40	KKGB	
CCCCc1ccc(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(CCCC)s2)s1	8780888	JDLMWHBXDKDFGM-DWVPNOFWSA-N	530.804	7.216	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1c[nH]c2ccccc12	16493728	XMYOKBXILSWDCU-WKULSOCRSA-N	513.648	5.050	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)cc1	32577066	FPWFRHCAPORDBL-DXJNIWACSA-N	504.615	5.604	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)OC(N)=C(C#N)[C@@H]1c1ccccc1	53332623	VLYVIRGVZHSTSD-VWLOTQADSA-N	569.712	5.087	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCc1ccc(Cl)cc1	58980094	AMAOOQKWCBESOQ-OCSSWDANSA-N	517.969	5.927	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2)CC1	59647055	SZWAPFHODGTHNT-KEIPNQJHSA-N	556.110	5.842	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cc2ccccc2o1	59679933	ZVTLRGVSHOQDEB-KEIPNQJHSA-N	516.000	7.975	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)cc1	97939484	GJCWARSKAWDLAA-QRQIAZFYSA-N	551.028	5.527	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cccc(I)c1	97962933	YVNQVDYIDNXTRG-HYARGMPZSA-N	530.365	6.569	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	100122926	VSPAVFNGISIWTJ-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	100232833	JZZHKINQVDSLSD-ZDLGFXPLSA-N	556.800	6.534	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	100239969	PRNORQJMTIVVSZ-UZWMFBFFSA-N	590.771	5.869	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(OCc4ccccc4)c3)nnc2-c2ccc(Cl)cc2)cc1	100242267	PPQZCKBWCAXBHW-JEPNHJGPSA-N	628.154	6.816	50	40	KKGB	
O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	100261140	WPRJZMOOVLINHM-XODNFHPESA-N	536.304	5.648	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	100477888	WXCUVFLCAWFKPR-HPNXWYHWSA-N	567.605	6.797	50	40	KKGB	
COC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	102378370	IWODTVCJQCNTDU-UHFFFAOYSA-N	561.066	5.533	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccco1	102760577	SFBIKXMBTZILNJ-AREMUKBSSA-N	577.062	5.735	50	40	KKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3s2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	102990068	MTTXHSVBTAICSN-HKOYGPOVSA-N	573.744	5.389	50	40	KKGB	
CP(Cl)(Cl)=N[P@@]1(Cl)=N[P@@](Cl)(N=P(C)(Cl)Cl)=NP(Cl)(Cl)=N1	103449432	HEKWUVJVIMQRLD-BGYRXZFFSA-N	538.599	11.071	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	103873418	DGMWIFXXHFJOEL-JRZNSJKLSA-N	613.117	8.334	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(F)cc1	103890955	YMKKWOGTPQOOFA-STZFKDTASA-N	525.407	7.384	50	40	KKGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	103896430	WSONCCGJIQYGBQ-XAZZYMPDSA-N	613.998	5.167	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccccc1)=N\NC(=O)c1cc(Br)ccc1O	104316773	RVGGVEVUGOGKTO-ZBIDQWECSA-N	574.439	5.673	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	104402922	NQLHTUKLCKERBN-LGJNPRDNSA-N	577.229	5.861	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCCSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3)=C(C)N2)N1	150410275	COVXJXLYLRASJO-AQOUDTPCSA-N	700.846	7.709	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	150468829	RCPKDBUOBIYXEY-KBVAKVRCSA-N	629.964	5.864	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795296	SPOCRDDUEFTIAV-BQBZGAKWSA-N	888.047	10.751	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)cc2OC)ccc1OCc1ccccc1	408538834	CHINWDNDKDUCSV-AEVGBRMKSA-N	613.032	7.688	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)cc2Br)ccc1OCc1ccccc1	408538995	DDWSJXDMBDKOLY-YTJQMYRNSA-N	774.506	9.120	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2OCC)ccc1OCc1ccccc1	408539869	ZRCSHQWYVFZTED-STBIYBPSSA-N	611.138	8.458	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1cccc2ccccc12	408541538	DAKWLDVKALVXJH-OYKKKHCWSA-N	528.402	7.342	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(OCC)c1OCc1ccc(Br)cc1	408541765	DPJZCPPOZILDHQ-IWIPYMOSSA-N	542.477	7.713	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553386	YLSRYCYPGQGNAL-FRKPEAEDSA-N	621.771	8.346	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccccc1Cl	408566949	BURKOZOIRXNDIC-MFOYZWKCSA-N	573.793	7.002	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1F	408579191	DLLRHQBHUVHFNL-LZYBPNLTSA-N	507.186	7.547	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408605018	JMENOIBINDPKLT-HNNXBMFYSA-N	518.372	5.216	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408608782	PRJBWACEBAAEAE-IBGZPJMESA-N	528.436	5.776	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)C(=O)Nc1cccc(Cl)c1	408611725	RWYDWZCRKSWYAX-LUOAPIJWSA-N	511.192	5.968	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408637524	ADVUIOVDCHCBRL-BDXSIMOUSA-N	651.566	5.809	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408644732	ROFAQSQCUFXWJX-HXUWFJFHSA-N	560.777	5.435	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408649611	YNNSFYXFLKYNPL-YVSFHVDLSA-N	696.017	5.918	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408660206	WLEJXJHCMQGPKJ-SJBWEXMESA-N	643.159	5.400	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(F)cc1	408677853	VOXRQUIYIPUIIC-MUFRIFMGSA-N	526.406	5.540	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccccc1	408732683	XHRHIRKOHOWNJL-UYKHCAHWSA-N	531.999	5.307	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408743483	GCPOLYBOPKYNIB-NVMNQCDNSA-N	501.797	7.089	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)c1	408746428	ZCIMMLNANZLEDK-LSCVHKIXSA-N	617.237	6.216	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OCc1cccc2ccccc12	408748756	HCJJRRPHVSCPSS-FJEPWZHXSA-N	639.540	6.884	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1sc2c(c1C#N)CCCC2	408754397	KEZBCTMJXSEFTL-WQRHYEAKSA-N	505.441	6.214	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccccc1	408782054	VKRWUHMWOIQJIF-STZFKDTASA-N	567.427	5.881	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408788352	CIMQDROGXNWFMI-VCHYOVAHSA-N	651.682	6.618	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Cl)c1	408789693	RBZNSDGNRNHVGI-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OCC)c1OCc1ccccc1C#N	408797429	RVAOHVCPJCDXHZ-YDZHTSKRSA-N	532.427	7.117	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Br)cc1C	408802886	IVKSKJDPSTTZON-SRZZPIQSSA-N	509.831	7.152	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408829295	PAIUSAZIHFPZBT-KVAAJVFYSA-N	691.431	7.074	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408830719	OFAUGXSDBVJYPJ-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)c(OC)cc1Cl	408834278	UUXXQTVAZXNFQI-CAOOACKPSA-N	592.273	6.906	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408834644	VPYULDWAFYTHPD-OVVQPSECSA-N	579.483	8.850	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Br)cc1	408840516	ZBXGYKGOAAPCSH-KULFSUQXSA-N	755.872	8.714	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1cccc(F)c1	408849456	YUDQPABATBPQSK-KVAAJVFYSA-N	587.076	7.698	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc2ccccc2c1	408857201	NDYLJJXYFDSRMV-UCMJSZAQSA-N	504.586	7.056	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408862204	XNPIGVXQLWOTHC-KPGMTVGESA-N	598.043	5.810	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408865763	FHWMNLBPNJOYTF-JEPNHJGPSA-N	636.170	6.289	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1	408883107	STQFDGIQIUZJKX-JQAMDZJQSA-N	592.235	6.132	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	408883132	SXYFKEWOTUBTIM-RQZCQDPDSA-N	557.346	6.333	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Br)cc1Cl	408886148	IKBOAQYOBAYYDJ-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OC(=O)c1cccc2ccccc12	408890590	WCNAFQUOGIOSJJ-RCCKNPSSSA-N	537.528	5.920	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c([N+](=O)[O-])c1	408892144	BKGOISJQOIPBOX-MHWRWJLKSA-N	528.348	6.043	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OCc1cccc2ccccc12	408894817	JBPVAPSXLLZGCW-CIAFOILYSA-N	732.210	8.411	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1	408895615	NPKIDZXDVRWHMF-XAZZYMPDSA-N	544.986	6.831	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c(OC)c1	408921546	APISALZNPRGXBV-YPLUWGEXSA-N	671.932	5.020	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1OCc1cccc(C(=O)O)c1	408936112	FMPCVAIWVWFYEW-IPHFVPNQSA-N	559.622	6.502	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408978813	KKNPYCIECJHZNJ-PYDFSNLISA-N	556.062	6.329	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)COc3c(Br)cc(Br)c4cccnc34)c2)cc1C	409010831	LUERMBCCYOIPRI-LPEPFOFCSA-N	640.332	5.923	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(Cl)cc5Cl)(c5ccccc54)[C@@H]3C2=O)cc1Cl	409046556	RNVSDBDTMYXJQL-JUHZYHROSA-N	614.916	6.922	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)cc(I)c1OCc1ccc2ccccc2c1	409081837	QLXWMKQGARUCJR-PTEHHBOZSA-N	743.396	5.823	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409083287	SHIAFOWGVOTCRM-LDADJPATSA-N	532.465	5.026	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)ccc1OCc1ccccc1	409112878	CMCKLEXRMLDMMZ-CCVNUDIWSA-N	503.451	6.355	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Br	409121668	VMJDNAZLVRUUKO-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1cccc(Cl)c1	409131083	JPLVHKYONBKXSH-HSZRJFAPSA-N	589.861	5.652	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl	409148570	QOQHSMZANMSXSS-RSXURMKNSA-N	517.478	6.910	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)c(OC)c2)cc1	409160885	XRXHZNCMAXSGGA-KBVAKVRCSA-N	611.493	5.051	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	409179339	QOJZKGNTQZRWDY-XWDKCVBESA-N	731.388	5.819	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccc(Cl)cc4Cl)cc3Br)cc2c1	409187168	MZISGDJNINNCTK-YNFMAFFXSA-N	592.273	7.252	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1Cl	409263481	MXXMKYPFFYSKRQ-MHWRWJLKSA-N	589.671	6.428	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1	409311234	DYNPIAXSJBNRHQ-PMACEKPBSA-N	677.293	5.349	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OCC	409312825	NRWGDWHDKPOQGG-ACXHZZMFSA-N	558.462	6.271	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)ccc1OC	409315149	HYNWNCIVWIHECC-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCC	409316630	LRNYSEGABWBIOS-NTFVMDSBSA-N	527.415	5.598	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409363070	JHHPPQNLGOTMPD-YBEGLDIGSA-N	605.791	5.655	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(Br)c1OCc1ccccc1Cl	409363171	KCKIQXVYQIWBBI-MWLSYYOVSA-N	529.862	6.335	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2Br)cc1	409387896	YCRIVRHKCIFZPX-LUOAPIJWSA-N	633.274	6.376	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(C)cc1	409394318	YQVMNGVFQPFURU-NHDPSOOVSA-N	513.350	6.781	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)cc(OC)c1OC	409396371	YAFIGGTZPZGHJY-UHFFFAOYSA-N	592.652	5.910	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396942	DEZROSMWAIUDSL-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C(F)(F)F)c4)c(OC)c3)[nH]c12	409397140	GTJSNUHHZCENBJ-UHFFFAOYSA-N	585.582	7.408	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C(F)(F)F)c4)c(OC)c3)c(-c3ccccc3)c2c1	409398010	QBOPZYSKZOCDIR-UHFFFAOYSA-N	587.554	6.854	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(F)cc1	409400248	CFRNPOKPSTVQQZ-AEUUOICLSA-N	612.614	6.665	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)o2)cc1	409400429	DCGAJDNEPVFDIW-APTWKGOFSA-N	564.598	6.517	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)o2)cc1	409402258	JLMBEJHKLIYYSE-HQDYHJHZSA-N	643.494	7.280	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)c(I)c3)o2)cc1	409402942	LLHAPXLQBCNTDB-AEUUOICLSA-N	679.942	7.867	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2[N+](=O)[O-])c1	409403392	MNZFGVRHUACLLE-AEUUOICLSA-N	613.070	7.479	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccccc1F	409403777	NYRYTCQWJAHLOU-UHFFFAOYSA-N	689.538	6.958	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(F)cc4)c3C)o2)cc1	409406845	DGCGQJBNWWAZTP-OHUYPAJKSA-N	524.596	6.577	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1	1529544864	RKAUXEWHGJRLPV-YWVSXFKHSA-N	717.642	6.075	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)cc1Br	1529547092	IOSFWMIYGBQVGH-GGMOOUJYSA-N	736.472	6.229	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1cccc2ccccc12	1529548650	KWGHFGSCYJWOQR-ODZZBMNLSA-N	860.512	6.513	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	1753616	KBTROTRTLKQUIA-XQNSMLJCSA-N	543.044	7.370	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1c[nH]c2ccccc12	2096843	YGOOLWXWURIIAW-CGCPUXQNSA-N	545.672	6.145	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1	2630380	UKMFYIWCKHXWSV-STBIYBPSSA-N	528.041	5.324	50	40	KKGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)c1O	2695893	QZADVNWMHXUJKU-LQKURTRISA-N	548.466	5.373	50	40	KKGB	
O=C(/C=C/c1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1	3274984	KYWWIWXZRLGEIA-NTCAYCPXSA-N	551.546	5.042	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3c(s2)CCCC3)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	3433023	NRBNHTORNPCCBO-IBBHUPRXSA-N	545.583	5.826	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1c(O)ccc2ccccc12	9020018	KTOVYXPCDFTUNS-FDVSRXAVSA-N	501.011	5.839	50	40	KKGB	
Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)ccc1OCCC(C)C	9348118	DSYZRQGQJCGFNP-HKOYGPOVSA-N	504.659	7.947	50	40	KKGB	
CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1Br	15135053	ICGXOPCETWVMKE-BRJLIKDPSA-N	505.413	5.005	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	15224816	RUJCJBLKMBPPCT-BKUYFWCQSA-N	518.386	5.914	50	40	KKGB	
CN(C)P1(=O)N(c2cccc(C(F)(F)F)c2)P(=O)(N(C)C)N1c1cccc(C(F)(F)F)c1	95676398	SQESCRCZXMYSKN-UHFFFAOYSA-N	500.320	6.390	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OCc1cccc2ccccc12	97960925	CUEKKCSUYPFBRX-JFLMPSFJSA-N	540.357	5.779	50	40	KKGB	
CCCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(OCCN4CCOCC4)c(OC)c3)c3ccccc3n2)c1	97965585	ULASCEGAKZOOHK-JWHWKPFMSA-N	582.701	5.564	50	40	KKGB	
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(Oc3ccccc3)c1)CC2)NNC(=O)c1cccs1	97979823	WJENPHAJHZEJFZ-RELWKKBWSA-N	575.646	6.193	50	40	KKGB	
COCc1cc(C)nc2sc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c12	98005104	NDXBFLBTLLUCBI-UHFFFAOYSA-N	691.837	9.403	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2cccc(F)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccccc1F)c1ccccc12	98008186	WKXYMYGDGSOZHZ-UMSFTDKQSA-N	558.588	6.471	50	40	KKGB	
COc1cc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc(Br)c1O	98048425	MYEWJAHICZAANA-OAHLLOKOSA-N	520.836	5.345	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccccc1	100100688	BUTJYXABMRGISK-BRJLIKDPSA-N	535.305	6.003	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1Br	100118902	QLROKTWSKZQILP-FQAMYZABSA-N	587.543	6.395	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)c1	100127779	BBDZGCBTEULGPJ-ZCTHSVRISA-N	544.677	5.420	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1	100178397	WPBUBAQYARVCRT-ZAROQNEASA-N	546.026	5.615	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(OCc4ccccc4)c3)nc3ccccc3c2=O)cc1	100852588	RKOFILDXRUBTMJ-MZFJOGFUSA-N	534.641	5.516	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1	100991394	RPZLBCFHXFMUQU-RKZIHRPTSA-N	526.420	6.506	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	101512875	ABLAIYCUKAAJCV-NDZAJKAJSA-N	558.664	5.781	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C)=C(C#N)[C@@H]2c2ccco2)c1	102808548	HICRSBVHIWGQGC-HHHXNRCGSA-N	544.633	5.312	50	40	KKGB	
COc1ccc(Br)cc1/C=C(/C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1	102862932	MWFKCUSGEQCAJM-ATVHPVEESA-N	506.381	6.491	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	103889556	NEGZERRPACGLKG-WZUFQYTHSA-N	610.029	5.458	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(OCc2ccc(Br)cc2)cc1	105475640	ADIHYWLFEYOBQE-KBVAKVRCSA-N	549.852	7.024	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CCCl)sc2c1[C@]1(C)CC[C@H]3c4ccc(OC)cc4CC[C@H]3[C@H]1C2	108236043	LYQYBPJEQKARMN-FSFJLABTSA-N	502.076	6.071	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(=O)C[C@@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	118913430	XROACRVMHWKIOK-ZVSHQSTDSA-N	651.008	9.928	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	150385573	MIFIULLQKQQGBG-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	164729450	NSXPJABFMQKIME-GHXNOFRVSA-N	625.031	6.313	50	40	KKGB	
CC(C)[Si](OC1=C(c2ccccc2)[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCC1)(C(C)C)C(C)C	195771042	IRPIUZBTCRUAMV-FFFVNTASSA-N	520.746	7.880	50	40	KKGB	
C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O[Si](O[C@@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)(O[C@@H]3CC[C@@H]4[C@@H]5CCC6=CC(=O)CC[C@@]6(C)[C@@H]5CC[C@]34C)c3ccccc3)CC[C@H]12	263606303	QSOSRZUCTBYVBZ-QNCGUHIYSA-N	967.461	13.584	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1	408539555	XJBPNXMVNVSYEU-KOEQRZSOSA-N	617.927	8.205	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(F)cc1	408543284	PZRFLVWHOZIBGT-NVMNQCDNSA-N	525.330	5.420	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551518	DJXWUVMVCXUMHM-CPNJWEJPSA-N	565.436	6.228	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408569124	YWNIKQUFFFTWNR-IBBHUPRXSA-N	625.334	7.176	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638930	DPQVMCQOKDLORY-DUUJBTRBSA-N	738.493	7.678	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408639551	FXTXBBGTHLRCNZ-PIDWITHXSA-N	631.148	5.544	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@H](Br)c2ccccc2)cc1)c1ccc(Br)cc1	408681370	JBGBAVURRAETSU-VPUSJEBWSA-N	607.298	7.246	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408725177	JRHONALGJRWANJ-YVLHZVERSA-N	571.327	5.038	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccccc1	408742277	OCSOSKCRAJHLDF-PXNMLYILSA-N	628.091	7.485	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)c(OC)c3)c2C)sc(C)c1C	408747935	VXKYXQLZLBLDPN-RPPGKUMJSA-N	579.460	5.326	50	40	KKGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1Br	408753045	KZBFZKVJTRZMGZ-WDZFZDKYSA-N	561.999	5.370	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OC	408754191	FAPXHYNPNVHDRD-WZUFQYTHSA-N	503.123	5.161	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1Br	408761084	HMIRRXRWRXDARS-CXUHLZMHSA-N	514.173	5.836	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408762757	GDNRDXHPAMVHBH-YBEGLDIGSA-N	698.289	5.674	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408774019	KZYLCUYVYXIFOZ-JWGURIENSA-N	567.402	5.265	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(Br)c1OCc1cccc2ccccc12	408775801	JZKRDUQYRSZAJZ-ZVHZXABRSA-N	571.471	7.523	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1cccc(I)c1	408777661	FDYCSAWUPWEXSP-CVKSISIWSA-N	602.281	5.334	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C#N	408787464	ALMKFJCWOGJUJF-KEBDBYFISA-N	502.914	5.643	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408792246	ADIAGZNGCKOWGR-RQZCQDPDSA-N	543.292	5.463	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408794099	RJEBRHHFNJOIRR-CPNJWEJPSA-N	522.355	5.881	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408795724	WALPSDRKPDLZGR-LZYBPNLTSA-N	672.542	7.594	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408796640	OOUKQOQVVUEBTA-GIJQJNRQSA-N	556.800	6.534	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1c(C)ccc2ccccc12	408805610	HGLVMGOUAXECDQ-ZVHZXABRSA-N	511.021	7.552	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408807538	CONUABZMOQIAGD-GRSHGNNSSA-N	593.248	6.409	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C	408811374	QTRAQVZOOFXSCS-HYARGMPZSA-N	501.413	7.888	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Br)c1	408814323	FNWYCSONIULXFR-WKIKZPBSSA-N	542.227	6.609	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)cc2)cc1C	408823942	FZOYABDGMIUZGT-OVVQPSECSA-N	523.032	7.661	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC	408824293	GPAITUWGAWVMGG-KGENOOAVSA-N	521.400	6.529	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(C)o2)c2ccc(C(C)C)cc2)cc1	408833209	WTRSXLAXKXFXPF-VULFUBBASA-N	532.460	5.128	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839243	PHVSBLZHKLQJGL-CCVNUDIWSA-N	555.885	7.132	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841217	DFYOMUSRJKAOSA-PTEHHBOZSA-N	916.748	9.364	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408842274	IRIKOIZZLIOYJP-PTEHHBOZSA-N	701.813	8.859	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	408844140	VCTCKTCGLHHZBZ-CCVNUDIWSA-N	547.833	5.400	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408846747	RHAVIIYPTFXSBK-AMVVHIIESA-N	740.792	7.745	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc([N+](=O)[O-])c1	408854398	DWNSRADEUNHTBC-MBTHVWNTSA-N	534.366	6.175	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408856944	LUDAFSSEYONHPI-DBFSUHOCSA-N	609.247	7.086	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408864750	YZFFIPWYQUSFBJ-XPGZBYHPSA-N	637.161	7.142	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1Cc1cccc(F)c1	408873665	VXLRETFYIOBVAD-VCHYOVAHSA-N	542.348	5.671	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1	408876296	KQLOSTDFAHSGPI-UDWIEESQSA-N	572.830	6.640	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408878577	APSTXIUXSZCELF-XMHGGMMESA-N	541.423	5.470	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1Cc1ccccc1F	408883382	QYXQDSGPEIYELN-CIAFOILYSA-N	554.403	6.582	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccc(Cl)c(Cl)c1	408890044	MZWKADUHHBSSGW-LFIBNONCSA-N	522.215	7.433	50	40	KKGB	
COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)ccc2OC)cc1	408894967	LGXPCJXKWVCBPZ-QGOAFFKASA-N	554.340	5.073	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cccc(Cl)c1Cl	408906852	JDXSTRXXONZLIV-OKCVXOCRSA-N	556.471	5.642	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	408942448	FXVFWMZRCJDBMY-PSXMRANNSA-N	714.804	6.605	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C)cc2)c(OCC)c1	408947017	NKAWBQSBNBQAHX-PMERELPUSA-N	742.636	5.462	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2F)c(OCC)c1	408950229	RSSYJNLFGYHBHS-GDLZYMKVSA-N	699.599	5.451	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c(OC)c1	408956636	RJFDCEBFJANOOV-MWKDUONYSA-N	824.410	5.204	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408961546	CWCZEIRLJWRMTH-IPBVOBEMSA-N	556.722	6.372	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(F)cc1	408962399	IBYAGNHWKRIPJB-KPGMTVGESA-N	500.492	6.315	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc(F)c1	408964279	QKOWIASSDUAYPX-XKJRVUDJSA-N	525.296	5.959	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C#N	408964567	VHABDRMKMCSZKR-WTXCFUDVSA-N	645.543	6.098	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409019222	WAIGSHYTUIBYDZ-OTEQHGRUSA-N	686.549	6.811	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1cccc(C)c1	409021675	STBCMZSUTOPPGZ-MNDYBZJGSA-N	534.410	5.422	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c1	409033965	MTVCZTKAQHSNCM-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccccc1Cl	409038868	FTSZVUSBHXMYAH-HNSNBQBZSA-N	522.004	6.907	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1	409040031	FHJGMPNYOUUTBO-VCHYOVAHSA-N	605.124	7.407	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409049778	YPQMNRNVRFEWEZ-RGVLZGJSSA-N	541.356	8.290	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1Cl	409055328	YOWSQPGIMRTGLV-BRJLIKDPSA-N	502.752	5.662	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)OCO3	409096502	KLYYDUIVFDYJKK-JOCHJYFZSA-N	590.655	6.391	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1	409127038	CQYKHKSXNHDCSU-ATZGPIRCSA-N	633.985	6.799	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)c2C)cc1C	409145063	PEFGAQFUBNPIJS-FDAWAROLSA-N	640.547	5.661	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409148132	XJJDKVPLRUREHW-KBVAKVRCSA-N	532.065	5.554	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409151394	GNHVDIIJDJGLHL-QFDQHJFZSA-N	724.166	6.410	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl	409156773	GZYDCELOPQYLAD-VPUKRXIYSA-N	628.694	5.524	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)c(C)n1-c1ccccc1C(=O)O	409211291	NIHIOKICFAJVBY-KBKYJPHKSA-N	559.214	5.827	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	409248242	CXTPPWWDBRPRBC-KFTQWTFOSA-N	561.263	5.838	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409260282	NXVZYCAGFFXCDS-RODHXAHZSA-N	660.583	7.959	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409261223	BAFLMSAOAGXKNP-MHWRWJLKSA-N	556.800	5.380	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C	409263414	MQDYQDRJZNBCER-VCHYOVAHSA-N	617.725	7.045	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c1C	409264897	GYGSFYZCCAUVTD-NVJOKUIPSA-N	593.703	6.263	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409266270	QEHHKGSJVXORHG-ODLFYWEKSA-N	534.956	5.519	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)O)ccc1OCc1ccccc1	409306238	ZEOPHFGUMRFRAS-PPDIBHTLSA-N	592.240	5.027	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)ccc1OCc1ccccc1	409310959	XNQQENJADOOBCJ-AEVGBRMKSA-N	702.480	8.309	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409313493	QBJGLZFMJCMEKQ-FZKWRIDDSA-N	650.513	6.929	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OC	409323575	OKKRNIYRSFEMIA-RHANQZHGSA-N	561.056	5.376	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409332546	HCZWIUVUEVSJPM-OHUYPAJKSA-N	634.483	6.687	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl	409365161	XPUQMECOIVALAJ-KVSWJAHQSA-N	520.786	5.391	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c(C)c1	409367983	KZBBAGGEVPBDAM-VQNDASPWSA-N	569.727	5.575	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccc(Br)cc1	409368593	DEULIEPYJOIJRW-NHDPSOOVSA-N	585.239	6.967	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1cccc(C)c1	409372043	DTUNPDIMNNDJQJ-KBVAKVRCSA-N	547.449	6.661	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409372780	NHNZTLCQUOZDLN-FTCYSYDXSA-N	587.356	6.567	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)[nH]c12	409396023	VKFQVHXTNPYUJU-UHFFFAOYSA-N	558.388	6.182	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)cc1	409396089	WHJDQFGYQAIHNN-UHFFFAOYSA-N	757.220	8.256	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)[nH]c12	409396940	DEETZPPRHZRYQA-UHFFFAOYSA-N	507.546	5.982	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409398175	RNHMJMDPGQKRMB-UHFFFAOYSA-N	630.926	7.941	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409398227	RUYRRWNCIXNWBU-UHFFFAOYSA-N	546.583	5.613	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398444	SZXATFKWWGWJMK-UHFFFAOYSA-N	644.080	6.514	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cn1	409399755	LLDOUBLPAVBPMV-MJXLXAJKSA-N	616.030	6.788	50	40	KKGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409402745	KVMSZMIXXYODNO-RHANQZHGSA-N	514.538	5.503	50	40	KKGB	
CC[C@@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1[N+](=O)[O-]	409405757	VBSULAJXGNWNPT-KRTSHMNHSA-N	530.581	6.116	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)c(Br)c1O	1090807	DAMBVBAAXBDMEZ-IZZDOVSWSA-N	500.574	5.433	50	40	KKGB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	1781459	WUIFCOOAGDGFFU-YZSQISJMSA-N	504.011	6.320	50	40	KKGB	
CC(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)cc1	1819543	WPHXSFAZRNMEDT-GNVQSUKOSA-N	506.400	5.019	50	40	KKGB	
CCOP(=S)(OCC)Oc1nc(-c2ccc(C(F)(F)F)cc2)nc(C)c1Oc1ccc(C)cc1	4289260	WCTHZJRFFLRJAI-UHFFFAOYSA-N	512.490	7.248	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	6445801	ZAWQUPRDFTZIQP-LVTPPWGZSA-N	561.041	5.189	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(Cn2nnc3ccccc32)n1-c1ccc(Cl)cc1Cl	8397673	YLTRJFHUGVSLFJ-XKJRVUDJSA-N	646.358	5.381	50	40	KKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)cc1	12251010	FSEPNSNHBGNYFE-MUUNZHRXSA-N	509.675	6.828	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1Cl	59117222	NSHCJCXLFMNULM-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N/N=C/c4ccc(OC)c(COc5cccc(C)c5C)c4)c3N2)cc1	97948854	AWLYGXKMJFUCBH-PZDYQFEKSA-N	607.633	6.520	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCCOc3ccccc3OC)c(OC)c2)cc1OC	97958908	WUDWQWIEEFJISR-DEDYPNTBSA-N	540.410	6.005	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100179181	ARNAAUPADQNLNX-VUTHCHCSSA-N	544.073	5.263	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1	100336382	RRDVHKQZOJFQAZ-MFOYZWKCSA-N	579.221	6.731	50	40	KKGB	
O=C(NN(c1ccccc1)c1ccccc1)/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c[nH]c2ccccc12	100792963	HJHDCEQCNMSTGF-QVTSOHHYSA-N	535.520	5.670	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(C)cc1	101905944	HLNMLTAWZXXVGE-ODLFYWEKSA-N	556.254	6.653	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1	102666628	HZFJNCCYWCLYKG-ZDDKYUFNSA-N	552.483	5.787	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C)=C(C#N)[C@H]2c2ccco2)c1	102808553	HICRSBVHIWGQGC-MHZLTWQESA-N	544.633	5.312	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	150385622	XEOOZXQUHQCKFF-AABVJFSESA-N	667.935	6.874	50	40	KKGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3cc(S(=O)(=O)N(Cc4ccccc4)c4cccc(C(F)(F)F)c4)ccc3Cl)ccc21	150417464	AMNNGUKZZTVVMS-UHFFFAOYSA-N	670.113	6.507	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408530436	LSTLSMIMVJRXIL-VVEOGCPPSA-N	565.295	6.604	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br	408538919	RHOFFLWHYGLHIB-XMHGGMMESA-N	534.292	7.497	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2N2CCCCCC2)c(C#N)c1C	408547493	YCQUGMFDVGPEBM-UNOMPAQXSA-N	506.584	5.112	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	408569863	QQQKDJFNGFIKSI-MUFRIFMGSA-N	551.690	5.029	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1	408612407	YIPBNQKMAZTHLL-GOSISDBHSA-N	514.409	5.467	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	408727917	YWZFGUXOHNFAEY-LUOAPIJWSA-N	587.095	6.870	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I	408745324	LOZCIQZYHJVYGE-JYRVWZFOSA-N	541.570	5.265	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(I)cc1	408747253	LDBLUEADNLAXHX-UYRXBGFRSA-N	603.254	6.577	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	408758580	NAWQTWRBCWONNC-GZTJUZNOSA-N	531.815	5.724	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408789699	RGGPLRMQWUYGQD-RQZCQDPDSA-N	580.693	7.933	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I	408789860	SCNZSOJQUQAWML-AWNIVKPZSA-N	636.611	5.037	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(C)cc1	408790324	VPTWEBVMWYBUGG-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408796985	QPRQFSAKUHHODR-RGVLZGJSSA-N	631.264	6.439	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc(Cl)c1	408799695	HNTQVUWHATWCQG-VXLYETTFSA-N	558.803	6.386	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc(C)c1	408807658	DFVGBQTZILILLS-VYYCAZPPSA-N	540.357	5.697	50	40	KKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C	408813323	NQZGUPQULDAJKQ-ZRGSRPPYSA-N	500.780	6.029	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Br)cc1	408815491	HVDVKTVFXGGHOK-NVJOKUIPSA-N	637.122	7.072	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1Cl	408820637	YZHDYTPRFQDKOA-KYMQWJLESA-N	573.311	6.127	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408827201	GHNQKXRFWKHUBR-XPWLVCFGSA-N	699.454	7.882	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	408831748	PFXHZQWLWXRZPE-QNKGDIEWSA-N	591.089	5.337	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408834919	XKEGAZGCPKSNCY-LPYMAVHISA-N	687.215	9.222	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)c4sc5cc([N+](=O)[O-])ccc5c4Cl)cc3)sc2c1	408839043	LZXLLVUTBFXURX-UHFFFAOYSA-N	599.477	6.967	50	40	KKGB	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408841934	HIFDKQVDEARMIN-UHFFFAOYSA-N	507.171	5.083	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccccc1Cl	408848096	OWIZBRRIEYNPDT-SGFZWYBVSA-N	604.150	8.576	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccccc1Cl	408851194	AAXXPQARKGISIJ-YBFXNURJSA-N	547.674	7.907	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc12	408861649	UMFVHJSIROPFKE-IPPBACCNSA-N	559.475	6.530	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	408879381	DBVFHVSIMUOZEW-XDHOZWIPSA-N	620.843	7.327	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408888703	ZIABQZAZNJIOJD-OVCLIPMQSA-N	596.832	6.267	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Br	408892750	CEDQVLKTHKHROB-RQZCQDPDSA-N	634.224	6.095	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(C)cc1	408897579	YNNGMDVEEVDFQY-REZTVBANSA-N	591.245	7.106	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(I)c2)ccc1Br	408904807	OYCAJUHFSKMKPV-FDVSRXAVSA-N	614.281	7.250	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1	408923877	KTXXEMAUQWJAPT-KGENOOAVSA-N	505.368	5.750	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408925348	RHCUUBIHNJVXEE-WOJGMQOQSA-N	552.801	7.833	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1	408953316	XMAIMZVTFLPHLY-RUZDIDTESA-N	632.482	5.047	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)c1	408958689	ZWMGMQKXZWKAJG-LSYYGSJISA-N	705.979	5.963	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408971275	IBAIHZWZDSBYAB-ICLYNSGKSA-N	510.638	5.058	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	408980692	SITCIVAHOWXIBC-ICSRMJQJSA-N	515.953	5.310	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408988164	CYUJNODLVZOHTL-LDILGWEISA-N	700.799	6.363	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	409004149	WSMCWFGTOCBPOZ-ICSRMJQJSA-N	515.953	5.310	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409025369	QBJDTZLLMXCVCN-FMFFXOCNSA-N	604.729	5.164	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409039258	QZWZVKGOCMHKRI-MWLSYYOVSA-N	518.798	6.094	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1	409075839	YLOFLRYLMZFCFZ-MHWRWJLKSA-N	610.711	6.487	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)c(Cl)c1	409115653	NFRPLSTZFOZKDS-QNVXDBMFSA-N	722.003	6.805	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409134138	NIIPYUUQMMRENW-KEIPNQJHSA-N	650.113	5.553	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409141986	ABNXWIJDBFAONX-LUOAPIJWSA-N	674.660	5.550	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409143708	GUTIZGJNTJNLRN-QESWDSMOSA-N	564.807	5.106	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	409146752	UIDOPUYDEOPAEY-STBIYBPSSA-N	503.396	5.883	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Br)cc2)cc1	409224674	LTQYKGJJGFOBBX-MNBJERMJSA-N	601.413	5.522	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409225020	LOUQEKJULULEMZ-UHFFFAOYSA-N	527.964	5.584	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1	409227668	ZNKIAMBGAAMRIT-WKOSOALRSA-N	593.552	5.446	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1	409239131	GMLHAKGDXKSADJ-VBNMEBLOSA-N	574.700	7.228	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409261153	APLGLIWKOLGVEL-ZDLGFXPLSA-N	558.849	6.917	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409271507	LTZDZVNXQCCAMS-UDWIEESQSA-N	524.404	5.633	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1OCC	409309703	LJNUPWUNSJWAPN-MWLSYYOVSA-N	553.409	5.454	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1OCC	409311346	ZKEWELGZPJUKKE-QRQIAZFYSA-N	511.416	5.980	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3CC)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409312293	FLOVVAZHNVXQEY-XZOQPEGZSA-N	620.953	5.482	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc(Br)cc1	409316358	YQANDGAXVQZYLY-CAQPMQTCSA-N	575.459	6.388	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)ccc1OC	409322829	LFQCNSFTYBUNSO-WKIKZPBSSA-N	607.255	5.870	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	409336420	SIMLNTSCLAGOAN-LJUMEUDFSA-N	518.997	6.252	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCc1cccc2ccccc12	409351789	WSSLWQJFNOJNMO-KPGMTVGESA-N	611.334	6.905	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Br)cc1	409372355	VWRIITZYTSQYGE-GRSHGNNSSA-N	558.226	7.162	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccccc5F)c(Cl)c4)cc3)cs2)cc1	409374870	AUEARJZJGOAPOU-QMRORBIVSA-N	614.102	7.436	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409378542	PWXFCVQQCACROR-UYRXBGFRSA-N	580.435	5.428	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c(OC)c1	409384013	VSEKFZNWUNPWTE-UVHMKAGCSA-N	580.806	5.313	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409392106	LCJAXOTWDYOUHV-LSCVHKIXSA-N	521.213	7.937	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1cccc(F)c1	409394321	YRKWFSMXDLWDCV-IUXPMGMMSA-N	521.611	7.647	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)[nH]c12	409394608	CTDLDUOHZJBXCN-UHFFFAOYSA-N	661.350	7.660	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395062	JJPIRXWPCOKRPX-UHFFFAOYSA-N	686.316	6.943	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccccc1Cl	409395399	NDPJQGZCNUSWBL-UHFFFAOYSA-N	669.732	8.136	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl	409395689	QRSWBDMIXDQHJE-UHFFFAOYSA-N	795.109	9.421	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409396100	WLXNHERAAJKGGG-UHFFFAOYSA-N	730.240	9.049	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409396480	YRBNITMKMRDZSE-UHFFFAOYSA-N	692.320	7.260	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397035	FIFMHEOYRUMXEX-UHFFFAOYSA-N	581.072	6.936	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cccc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409399355	ZVLFXMATSLGHQY-UHFFFAOYSA-N	612.038	6.414	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc([N+](=O)[O-])cc1	409406984	YJUYWMAZQHHINB-UHFFFAOYSA-N	594.624	6.526	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409409723	QMTLAPWCYSSMDX-CNCDYAKUSA-N	628.907	6.388	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)CC)CC[C@]4(C)[C@@H]3CC[C@]12C	504638845	QPRLUWUASKOVRZ-FCURFHHDSA-N	507.268	9.962	50	40	KKGB	
FC(F)(F)[C@H](Br)COC(OC[C@@H](Br)C(F)(F)F)OC[C@@H](Br)C(F)(F)F	1083809835	QPNVUMCCCJDWGE-HSUXUTPPSA-N	588.881	5.297	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c(OC)c1	2211514	DHVGSRQFSAPETR-RUZDIDTESA-N	538.069	5.794	50	40	KKGB	
CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1Cl	2310660	OSIXUYLSAPKILW-LEWJYISDSA-N	518.422	5.642	50	40	KKGB	
CCCc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2	2406788	BLLCMUCHSCGEBT-PMERELPUSA-N	522.008	5.397	50	40	KKGB	
O=[N+]([O-])c1ccccc1[C@H](NS(=O)(=O)c1ccc2ccccc2c1)P(=O)(c1ccccc1)c1ccccc1	3191047	HIUYOGRQOUJUAD-GDLZYMKVSA-N	542.553	5.739	50	40	KKGB	
Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)/C(C#N)=C/c4cc(C)n(CCC(C)C)c4C)cc3)sc2c1	3393591	YWMOIJIVXMOQRS-PCLIKHOPSA-N	540.689	6.825	50	40	KKGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1cccc(Br)c1	8451212	KEDNMTNKCDWJDL-JOCHJYFZSA-N	551.466	5.012	50	40	KKGB	
CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1	8817898	VUFUOYQCAGDAJL-QRQIAZFYSA-N	520.014	5.146	50	40	KKGB	
CC(C)(C)c1cc(S(=O)(=O)S(=O)(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O	13804693	ATXLPXIXGNHYSX-UHFFFAOYSA-N	538.772	6.450	50	40	KKGB	
CCOc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C3\CCCC[C@@H]3C)n2-c2ccccc2)cc1	13882019	ULZCYFSRIHRZKQ-VAYKASGKSA-N	506.676	5.441	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1	20060788	UQKJLGSNCPCYLP-CCVNUDIWSA-N	509.937	5.089	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	20347804	WKEBEQWUSHSARG-VWLOTQADSA-N	520.010	5.744	50	40	KKGB	
CCn1c(SCC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)nnc1-c1ccc(C(C)(C)C)cc1	31870528	WJJJEIGTXJTHKM-DXJNIWACSA-N	527.694	6.084	50	40	KKGB	
O=C(N/C(=C\Sc1ccccn1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	33354890	CIEDZHJKCICPPN-QCWLDUFUSA-O	517.614	6.397	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(Sc2cccc3ncccc23)c([N+](=O)[O-])c1	33355155	DTCLFFPZAHXACD-DPNNOFEESA-N	559.607	5.913	50	40	KKGB	
O=C(CCCCCCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21	97966696	CCAPZWPYXTXVCV-UHFFFAOYSA-N	776.078	5.322	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cn1)C(n1cccc1)=C(C#N)[C@@]21C(=O)Nc2ccccc21	98008318	WIQKGSGSYBXKPI-MUUNZHRXSA-N	540.421	5.391	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	98045732	PMQIYEAFNGPYIV-DEOSSOPVSA-N	527.631	5.596	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1	100062810	LRWJYNYITSLGQG-WKIKZPBSSA-N	566.677	6.145	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1	100872197	CTGOHMMJABZBBB-NDZAJKAJSA-N	544.681	5.040	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(I)cc3)c2C)cc1Br	101027628	VVENPXCCYWIEKM-RPPGKUMJSA-N	565.253	5.332	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)c1nc2ccccc2s1	101168259	AZULMCXCWBGJTJ-JJIBRWJFSA-N	528.612	7.931	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(Cl)c2Cl)=C(C#N)[C@H]1c1ccco1	101305294	MOJYJFYNEKIZSC-QFIPXVFZSA-N	554.455	6.355	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1	102872717	AXCZWNAWHCLTQI-SSEXGKCCSA-N	570.114	7.869	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1cccc2ccccc12	102933133	SWKTTXYTEIULFX-CIAFOILYSA-N	562.409	7.578	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1	103899227	MOWXKEAGXQYPSF-RDRPBHBLSA-N	588.524	5.291	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccccc2)cc1	103899753	OEZHFOICMUAPGB-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341598	GNKFBQOEWVFNSR-CYBMUJFWSA-N	678.302	10.475	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CC(=O)N/N=C(/c1ccccc1)c1ccncc1	150490414	CYDNFYGLYFKJKC-IBFPMYBOSA-N	646.535	6.227	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1Br	164576300	LAVRGHWZKUFFCX-KBKYJPHKSA-N	645.971	7.080	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795401	XVBHZKDYILCHIB-KBPBESRZSA-N	786.208	10.941	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)F	169795495	QWCAFBFEHOLPAC-VXKWHMMOSA-N	698.396	11.520	50	40	KKGB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@]2(C[C@H](Br)Cc1ccccc1)[C@]1(C[C@H](Br)Cc2ccccc2)C(=O)[C@]2(C)CC[C@H]1C2(C)C	245239031	DSLHNLQYIWSSJN-BQALEHCOSA-N	696.608	9.802	50	40	KKGB	
CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1	301054970	RJCWBNBKOKFWNY-AGQFYUAZSA-N	554.722	6.730	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542380	IRZTYSRSMFIZEY-FDAWAROLSA-N	580.479	5.435	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br	408542652	KKYKSRHNKYSZER-CIAFOILYSA-N	559.464	6.649	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C(=O)OCC)c1C	408547142	RVBUEMMCGWSLOI-SFQUDFHCSA-N	522.535	5.297	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1	408638868	UJIRWOQETKHNOX-IDISGSTGSA-N	552.042	6.692	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O	408642355	MWXGGOKURXBSOR-LQYAQLHQSA-N	575.851	5.423	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408643040	OLWZHNGPTRZONS-NNMXDRDESA-N	568.284	6.226	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408661489	XEKKYHXFOZVKRA-RGBOINFLSA-N	531.823	5.038	50	40	KKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)c(OC)c3)c2C)cc1	408747864	UWFNQHOXDRMMGN-AFUMVMLFSA-N	501.368	5.034	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Br)c1	408763618	TZWUSCCCDHOCCB-YVLHZVERSA-N	557.198	6.244	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408764922	NTXUVUFZVLTXBV-VTNSRFBWSA-N	634.508	5.152	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1cccc(I)c1	408785931	JYWZFCHVGICITP-OVVQPSECSA-N	509.391	5.004	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408792042	GYAWPGPIEPKGGG-VXLYETTFSA-N	723.261	6.105	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1	408796763	PVHXJGDFTOJZNZ-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(C)cc1	408799482	ZMVDTOUUMZCGTO-UDWIEESQSA-N	570.281	7.043	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1	408807625	DAPCWNGSLIAXDI-RHKOWXKBSA-N	560.097	8.178	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408819687	RFBZDRINKMHGKV-MNBJERMJSA-N	560.448	5.921	50	40	KKGB	
COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1I	408819883	YTBIFVSZJDWFGL-WUXMJOGZSA-N	578.575	5.412	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408826837	TXWKRMSTUALGAI-OEAKJJBVSA-N	740.348	7.674	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)c2ccc(C)cc2)cc1	408828053	KTPZYLWNFZXYIC-JJKYIXSRSA-N	521.683	5.449	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408828733	NURWVBMBVATNKI-LGUFXXKBSA-N	623.934	8.959	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c(OC)cc1Cl	408832995	SNRPHLQGCFANJB-CAOOACKPSA-N	572.799	6.153	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	408836693	UKQHGIMDHNWVML-KGENOOAVSA-N	661.334	7.366	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408839111	NDSQGDAIZAZDHO-UHFFFAOYSA-N	558.841	5.653	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1cccc(C)c1	408844582	UKESDSVENFVCPG-ZHSUKTGHSA-N	589.039	7.148	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408847632	TWDMSWDUWLUADC-UHFFFAOYSA-N	518.809	6.189	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	408851258	WXYHGNKDVQIGLY-OJYCWLPVSA-N	554.477	8.102	50	40	KKGB	
C=CCOc1c(CC=C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408851855	GUYLCNJYBPVDHT-NVMPUMLXSA-N	505.618	6.519	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1C#N	408852309	SHPPYFKIRVCJAU-DBSPGSINSA-N	575.068	7.329	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1c(C)cc(C)cc1C	408858791	PQJQDKIHAUACAJ-ZHSUKTGHSA-N	629.566	7.101	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Br)c2)cc1C	408880582	IKKYYUJROQXJDL-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1Cc1cc(C)cc(C)c1	408885232	YAPUIHIVMNZYPB-KEBDBYFISA-N	605.303	7.750	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cccc(Cl)c1	408893990	HVLNVNHCVZYWNV-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408896521	RPGUMDPTKPBGOM-IRWBXMRWSA-N	718.393	8.856	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c([N+](=O)[O-])c1	408897266	RCIFMFCQFVRBBH-RQZCQDPDSA-N	699.670	6.891	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1	408943373	SGAYIHCWWYWMNV-OGLMXYFKSA-N	542.499	5.088	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	408945019	JZUJVZCEKCWNQW-MUUNZHRXSA-N	793.478	5.526	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1	408945441	KSEKISYMNUOBLF-NDEPHWFRSA-N	685.572	5.061	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408949391	HYNWXTYGSRIEHV-PKAZHMFMSA-N	549.627	5.838	50	40	KKGB	
N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	408955985	VLTWJRRWDRKKDV-ULJHMMPZSA-N	550.456	6.928	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N\NC(=O)c5ccccc5OC)(c5ccccc54)[C@@H]3C2=O)cc1	408956704	RNXHTZWTPYKMNA-IRCQUJMOSA-N	585.660	5.451	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(Br)cc1	408968103	UGDVMHKYRBFUAL-VFLNYLIXSA-N	530.781	5.855	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	408980693	SITCIVAHOWXIBC-UJEJHLKSSA-N	515.953	5.310	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408997547	RRXXXHOEEDTOQW-YPXUMCKCSA-N	632.092	6.778	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc2)cc1	409000803	YFWKGJXPOVGTPX-AXMMYCDFSA-N	549.737	5.856	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)cc1	409024992	JMJGOVZPCHBQTO-ZCTHSVRISA-N	532.641	5.141	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)o2)cc1	409026499	QVABEJFFHKQAFB-KCUTWZHFSA-N	575.643	5.220	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409064659	DYRNLDSXQOHNET-WOJGMQOQSA-N	575.868	6.041	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1	409152113	DHZYLIYPUGQPNO-FJEPWZHXSA-N	601.885	5.170	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2Br)c1	409211209	NFIRLGZTWPWJDG-LGJNPRDNSA-N	503.849	6.232	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc(OC)c1OC	409219656	OSUAXJSCTAIUOW-UHFFFAOYSA-N	666.912	6.364	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccc(Br)cc1	409223690	HBCNMBXNJMWDJA-UHFFFAOYSA-N	640.412	6.712	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409234229	JGJCZPICDMWQQL-APSNUPSMSA-N	600.218	7.908	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(I)c3)o2)c(Br)c1	409242521	OEYQMDWKAQZKJV-SSDVNMTOSA-N	509.141	5.386	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409258053	VZPBCGJWYOQCGO-MUXKCCDJSA-N	500.382	5.482	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409265307	SBSDPOXSWRSMIK-MUXKCCDJSA-N	524.415	5.164	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCCOc3ccc(C)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409317301	OUOPSPWCEZLWLN-RTWAWAEBSA-N	535.449	5.251	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccccc1	409366609	XAYVWCBPZYPBND-ODLFYWEKSA-N	563.176	6.539	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409377165	FHCCOXUCVLIQNQ-WQRHYEAKSA-N	584.854	6.073	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccccc1F	409382966	POMCFDGRHGXCIA-ZRGSRPPYSA-N	504.743	5.023	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)Sc1nc2ccccc2s1	409383796	HSGHFSPWOYDMQG-FRKPEAEDSA-N	627.210	9.364	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)c1	409394556	CEBJTOBDVNBUGW-UHFFFAOYSA-N	757.220	8.256	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395121	KCTDMMBSVDPWPE-UHFFFAOYSA-N	767.632	9.145	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409396140	WRZQUABKUSNMNX-UHFFFAOYSA-N	563.957	6.251	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)[nH]c12	409396143	WSBJWUJXRBJDJK-UHFFFAOYSA-N	724.247	8.668	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)o2)cc1	409402103	JAQSXIPIFGQMCX-AEVGBRMKSA-N	611.529	8.340	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccc(C)cc1	409404519	QCQIRRHYCPUHLQ-UHFFFAOYSA-N	641.124	7.018	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409404878	RFIOEWXDIUTCEV-GHPUVNEGSA-N	672.960	6.785	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)OC(C)C	409405330	SVCJGKYPPLMTEZ-UHFFFAOYSA-N	638.515	6.132	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)NCCc1c[nH]c2ccccc12	1106747	IFMMEECTSPBXBK-CPNJWEJPSA-N	520.467	6.153	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C(C)C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1	1244345	XZENVWLYSVJZRY-MHZLTWQESA-N	515.679	6.256	50	40	KKGB	
CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O	2092412	BNUVYRKTNDTJFY-SFHVURJKSA-N	574.225	5.090	50	40	KKGB	
CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C(=O)OCC)c1C	2323030	CFRMJXPXPUCVIG-ZHZULCJRSA-N	523.680	6.709	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)ccc1O	2347405	WFUAJPPOTCUEHL-UVHMKAGCSA-N	528.421	5.198	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	3319756	BDDWBVRUWIIAIE-KVSWJAHQSA-N	545.898	5.108	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(C)cc1	4196422	APQJPMSRLLRWDS-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
C[N+]1=C([C@H](I)[C@H](I)c2ccc(N)cc2)C(C)(C)c2ccccc21	4522478	UKMNWLCXOUGZHO-IAGOWNOFSA-N	531.199	5.255	50	40	KKGB	
CCc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4Cl)cc3)CC(=O)N2C1	12251081	XPRQHUXHVWLPGQ-DEOSSOPVSA-N	516.066	6.701	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3/C[C@@H]4CC=C[C@H]34)cc2)c(Br)c1	13145036	FPVBOIBRAJSZDR-PALZUFLKSA-N	504.222	5.781	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(OCC)c2)cc1	20764914	RLVCBUUQJUWILT-MUFRIFMGSA-N	522.399	5.461	50	40	KKGB	
Cn1c(-c2ccc(/C=C\C=N\NC(=O)c3ccc(C(=O)N/N=C\C=C/c4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3)cc2)c[n+]2ccccc12	59364609	FDTRPVQXNHYJAQ-BANDMGNQSA-P	684.804	6.033	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C	68569370	HFSJNSPDLDRBFD-VMZXBNFHSA-N	599.603	5.442	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	97950382	OJAHSJNUPFONPF-AREMUKBSSA-N	530.675	5.853	50	40	KKGB	
COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC	97966537	IYBBNBJCGWUIPS-GHRIWEEISA-N	600.911	8.004	50	40	KKGB	
Cc1cccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2I)c1	98001652	CJPBZAIPVJYTMB-KKMKTNMSSA-N	672.111	5.873	50	40	KKGB	
O=C(CCCCCCCC(=O)N/N=C/c1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)cc1Cl	98002601	PWXYHYKOPIXFFR-RABJZLPGSA-N	530.283	6.631	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1)c1cc2cc(Br)ccc2o1	100056394	AURKUWUGCSICOP-ZMFRSBBQSA-N	528.200	6.301	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccco1	102760628	XUGQBFAYMRCMGW-VWLOTQADSA-N	607.486	5.535	50	40	KKGB	
CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(OC)c2)N[C@]1(O)c1ccccc1	102890810	GWCUINQNOSDHLP-WWDWLDGVSA-N	578.090	5.167	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)N=C3CCCC(O)=C32)cc(OC)c1OC	102892013	FOOXIFSOTSBSMV-DEOSSOPVSA-N	523.586	5.493	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1	103842238	NOPURIGEQKGFMP-XKZIYDEJSA-N	578.894	6.827	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	105658222	GFLJKGYEZFJBFU-WKULSOCRSA-N	563.279	6.594	50	40	KKGB	
C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3C[C@H](OC(=O)Cc3ccc(N(CCCl)CCCl)cc3)[C@@]21C	150361389	YHPXZUQZLHUBSP-PVIIXQAASA-N	908.876	10.633	50	40	KKGB	
N#C/C(C(=O)NCCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1	150449331	UDCSFPAQSMMOKC-JMGCQMQKSA-N	760.848	5.750	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCCCC[C@@H](I)CC(F)(F)F	169795423	PGIGBRJYJCMLBI-IYBDPMFKSA-N	614.234	9.180	50	40	KKGB	
C[Si](C)(C)OC(C(F)(F)F)(C(F)(F)F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	169806520	YAANASLMFRNTIX-ZCFIWIBFSA-N	524.243	6.736	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccccc1	209495137	AWKMOSDMUDXDOR-FYJGNVAPSA-N	538.385	6.080	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(OCc3ccccc3)c(OC)c2)cc1	408539548	XFIUGEYIUGNXQG-NLRVBDNBSA-N	569.057	7.451	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(F)cc1	408549860	AKTJLOPUZCFXBI-VCHYOVAHSA-N	522.001	6.424	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1cccc2ccccc12	408552076	HASILDVNQXOODA-LPYMAVHISA-N	598.522	7.548	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408580465	PSFDYAUIRUHTTH-VCHYOVAHSA-N	533.647	7.517	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cc(Cl)ccc1OC	408603350	FXTOOKVWORUGAF-LDADJPATSA-N	502.958	5.705	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)cc1Cl	408608797	PSMPIGDRXNIAJZ-SFHVURJKSA-N	514.409	5.386	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408643066	OPAJKUCAFXKIRC-VCTPWBKUSA-N	732.590	6.418	50	40	KKGB	
CCCC[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408688085	PWYTZSJIIIOZTO-GFCCVEGCSA-N	654.128	5.222	50	40	KKGB	
COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)OC(=O)[C@H]23)cc1	408722107	DSRJGHHICZPACK-XCKBAEDBSA-N	542.587	5.403	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(Br)cc2)cc1-c1ccc2ccccc2c1	408727432	WWQYGDMLIKMZQW-UXHLAJHPSA-N	509.407	6.527	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408746259	DCXODMDIARZCEN-XKZIYDEJSA-N	562.261	7.489	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(I)c2)c1	408746802	VVGQUPZXTZAQHZ-HAHDFKILSA-N	574.418	6.968	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408747749	SKEFPJRUQXATBM-YVLHZVERSA-N	576.672	6.998	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc(C(C)(C)C)c1O	408762346	KAPQOSOIHMXOTJ-HNSNBQBZSA-N	535.084	6.943	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccccc1Cl	408765252	UWIHALNEAABVRG-BKUYFWCQSA-N	537.841	6.964	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)NC1CCCCC1	408766752	FZARVNLHFQDPQU-ZCTHSVRISA-N	515.679	5.712	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2ccc(C)c(C)c2)cc1	408771966	LYIVCAACATWXMN-UZWMFBFFSA-N	555.656	5.177	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408773106	SSMYOVPBDZDILP-KTKTZWHOSA-N	588.584	5.911	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1	408777460	ZWVSXNPLQMQWPL-JFLMPSFJSA-N	504.439	5.210	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408780859	MDIWNHZTBSRRKQ-MOSHPQCFSA-N	510.421	6.583	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408790864	RQPPNLMXAORSEU-UDWIEESQSA-N	569.839	6.412	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c1C	408795231	LQWPGSUSJJZGCK-VXLYETTFSA-N	668.700	7.291	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc(C)c1	408795722	VZSUXBCEDACSSE-LPYMAVHISA-N	552.412	6.431	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)c(C)c1	408801355	ADIPZNOQQGEHFI-SSDVNMTOSA-N	509.433	7.442	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408823014	CBCRHCIZXSAEGY-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408832300	XUULKJDXBZJCMM-KEIPNQJHSA-N	653.986	6.399	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408833248	SLETUWCHDQEOEI-KCSSXMTESA-N	642.959	6.036	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)o2)cc1	408834377	YKPJGSHEQWVGDV-JWGURIENSA-N	586.541	6.642	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408837931	ASUAULRSRDISCB-MWBNBJEGSA-N	686.588	8.274	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccc(C)c(C)c2)cc1	408840499	GPLGPMAUEGMCFJ-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840885	CUINACOEJODSKD-ZSNJKBEMSA-N	589.120	8.703	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)cc3)cs2)cc1	408845140	OWVHXHVYBMVYJZ-FJEPWZHXSA-N	558.019	7.448	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408847594	TVAHDNFEULBMKP-NOPDUFPGSA-N	713.451	9.965	50	40	KKGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408850755	DUKWXJZMKKWRRS-AFPJDJCSSA-N	545.025	5.883	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(Cl)cc1	408854390	DQZCOMQSRQXNBL-CIAFOILYSA-N	611.867	6.279	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1O[C@@H](C)CC	408857810	WRICQQLPLBYPCS-BRLDDBHUSA-N	510.432	5.772	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1	408858589	UGRIRNFYGDIOOU-HWIUFGAZSA-N	502.618	6.633	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408861964	GXEROAKVLAVRJX-KCSSXMTESA-N	623.087	5.490	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408874823	BHRQMMDMZFCLSH-LICLKQGHSA-N	535.747	7.246	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	408876740	QQWQUNRYBNMMJU-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408878525	BRBSGLQGYLVDET-FMFFXOCNSA-N	514.666	6.598	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1	408883223	SAFWHWLFFHIUAO-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2OC)cc1	408884258	YEGSLSUHNNVZMP-QXUDOOCXSA-N	560.691	6.307	50	40	KKGB	
Cc1c(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1	408893242	LJIXHIALFURHMA-UXHLAJHPSA-N	550.084	5.303	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(Cl)nn1-c1ccccc1	408895068	SYFMRGKOQGKLBL-DAVRIHBFSA-N	530.053	5.372	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1	408924553	PFXNGZHRUOCJJU-SVYXRYDESA-N	731.600	5.919	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccc(Br)cc1	408940180	BXSMAKRJNCKXIG-MHZLTWQESA-N	842.348	6.280	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccc(F)cc1	408947748	ODMFRLZWIIELPU-HHHXNRCGSA-N	781.442	5.657	50	40	KKGB	
Cc1cccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1	408954845	NPTQCRLNPUCPJV-WEHOBKOGSA-N	580.471	6.268	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408970321	FYSBUECOMKURLK-WUQZZNSYSA-N	566.496	5.397	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408970576	BSWJKFMPBSZKAS-RSWNLNBFSA-N	572.489	5.436	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	408972456	UBEPCXCTMYXSOW-HOJGQCLPSA-N	634.560	6.616	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408972833	VZNDHHYOQHWTTJ-VBMPCKAESA-N	635.386	6.703	50	40	KKGB	
CCCOc1ccc(Cl)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408974414	YXKYQORJJZJUPX-KYQJZERDSA-N	542.891	5.884	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	408995260	BEFCFTSTVNVKGF-VWJSQJICSA-N	656.276	6.900	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)c1	409002550	ONUIXRRIMSBESB-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)Oc1ccccc1/C=N\NC(=O)c1ccccc1O	409004083	AJWBURRASDQUJG-MCCPHKRKSA-N	585.410	5.757	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccccc1O	409006312	MZOZXOSBEBOODW-MVFSYQEJSA-N	532.552	5.394	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC	409033585	FPHZOGSLMPSIGC-SQWGNMLZSA-N	621.646	5.058	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409038113	UTQTYVJGMYCSCG-AABVJFSESA-N	652.401	8.966	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1	409041993	LUAJMQLMWMJCEC-LDADJPATSA-N	531.417	6.014	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1	409050588	XJVXVUCXXHMMAB-XDHOZWIPSA-N	510.331	5.381	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	409050818	AKQHOTUBCDZGFI-LUOAPIJWSA-N	526.645	7.061	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1ccc(Cl)cc1	409158911	LZSRXNCANWYJDQ-IPBVOBEMSA-N	598.668	5.516	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409175791	UZEXMYDPDPBKSX-XKJRVUDJSA-N	592.277	5.479	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409191008	YGZMRQGHTJIELN-LQKURTRISA-N	504.999	6.571	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1	409223549	FYJPWQKCRZWKEN-OHUYPAJKSA-N	576.436	6.166	50	40	KKGB	
COc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)cccc2[N+](=O)[O-])c1	409227398	YGSCQHGJECISPV-MNBJERMJSA-N	552.543	5.147	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409241694	LOWKTLOXMDKYKI-LJUMEUDFSA-N	534.429	6.268	50	40	KKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)cc2)cc1	409243219	QQKZRPBKXFPPGH-LGJNPRDNSA-N	591.268	7.023	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)c1C	409262202	DGNTUZRWOADJCV-KULFSUQXSA-N	689.035	8.368	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C)ccc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409314832	HPGYHNPGESXDJM-YADHBBJMSA-N	562.475	5.119	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1OCC	409317674	RRGKMEKIYKPLFP-CAQPMQTCSA-N	624.475	6.593	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1OC	409334033	QRCOEBIORIMKKZ-VYYCAZPPSA-N	513.934	5.007	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccc(F)cc1	409371846	IYQQEZMYEPLCNN-VYYCAZPPSA-N	530.350	5.167	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccccc1F	409372350	VWCKXDUSLWPGDJ-SXGWCWSVSA-N	660.062	7.441	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(I)c1OCc1ccc(Cl)cc1	409373728	ZQAGYUMIXCVKFJ-LICLKQGHSA-N	522.770	5.062	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409385554	LGMPNHIGGFZQRN-LUOAPIJWSA-N	607.255	6.817	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(I)cc1	409385591	LSOMLRSBSDGIME-XODNFHPESA-N	635.867	6.809	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(Br)cc1	409386156	OORRDTHWUJLDMR-MZJWZYIUSA-N	554.422	6.314	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c(O)c1	409392712	RLEDJVLWHJFSKR-BRJLIKDPSA-N	534.204	5.269	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409396075	WAJXZNJUDZTEOC-UHFFFAOYSA-N	674.935	7.476	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397211	HLMPOKUVTKABIY-UHFFFAOYSA-N	616.457	7.252	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397274	IEFCRJYTJPVSGO-UHFFFAOYSA-N	606.000	7.807	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397617	LYDZSBRZHZYOJT-UHFFFAOYSA-N	708.350	7.584	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)[nH]c12	409399107	XTYJIMAAKGXPMJ-UHFFFAOYSA-N	503.558	6.135	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1ccc(F)cc1	409404313	PTUCYWVGFRKMRI-PQKVGRGHSA-N	621.709	7.875	50	40	KKGB	
C=CCOc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409406951	YGBQYHLLQLPZAB-FZPRHHONSA-N	626.935	7.409	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc(Br)cc3)o2)cc1	409408167	JAOHLGQOOZHZEO-AEUUOICLSA-N	646.925	7.665	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2cccc(C)c2)cc1Br	1529545736	BCGIRSLEDKDOKJ-FRMANHBFSA-N	681.609	5.230	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1	1529546364	FLDZMMNFBOKXMQ-FAUQODKRSA-N	807.461	5.246	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	1529547921	RPPVTXLASJZLOD-AHKFIOAWSA-N	677.610	6.611	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	2072912	YXBLVBXEWVFHEO-AREMUKBSSA-N	578.521	7.070	50	40	KKGB	
CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1	8449636	PHJRZLMQTWPBTR-NAZAJNFNSA-N	569.334	6.015	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(N(CC)CC)cc3)nnc2-c2ccccc2)cc1	9233711	LAQKSUWNXOJLEH-TWKHWXDSSA-N	528.682	5.422	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	16285057	JLTFPKNXTUANFP-DXJNIWACSA-N	528.678	5.052	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)ccc1OCc1ccc(Br)cc1	20248159	GEHFGGDOKWPXAC-UBXTYJAUSA-N	513.457	5.809	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	59856420	NKEIBUVRCBNFHV-UZWMFBFFSA-N	561.107	5.874	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1	97961032	KULZGIXLRVITEU-IOXBOXJCSA-N	660.371	7.723	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(Cl)cc1	97980639	BIRFNDRBWBXPIM-YVLHZVERSA-N	521.322	7.145	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1	98006075	KTQYIAYIOMBLHW-JOCHJYFZSA-N	579.107	6.333	50	40	KKGB	
Brc1ccc(CN(c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	98045161	RTTFYJDGPKHQIM-UHFFFAOYSA-N	523.434	7.365	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)[C@@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)c1C	100097887	BWIPWNRVJASVKW-DXBVXKBHSA-N	606.091	6.562	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1	100221217	HIZSBILHFGFPKY-JJKQSNDFSA-N	562.976	6.970	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(Cl)c1	100400064	OLBJGMFCQBPTPW-UHBFCERESA-N	585.469	5.066	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1C	102935065	MQCJCDZHYDDSOT-VXLYETTFSA-N	592.355	6.752	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528837	QQMXZPYNQAHGMX-UWTATZPHSA-N	592.002	7.117	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	103890068	DDPVPGQRKSFHME-SXGWCWSVSA-N	577.218	6.797	50	40	KKGB	
Cc1cc(OCC(=O)N/N=C\c2ccc(N(CCCl)CCCl)cc2)c2c(=O)c3ccccc3oc2c1	104246163	CDDJBHRMAWSFRC-UHBFCERESA-N	526.420	5.068	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(C#N)c1C	105858165	CSLXYJPYSPCOBA-HYARGMPZSA-N	555.055	7.209	50	40	KKGB	
CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341482	CFMMYQUNYUCBII-LLVKDONJSA-N	800.269	11.601	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1Cl	150385846	RMPJUIDNUFDCOM-OHUYPAJKSA-N	662.437	6.547	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2OC)ccc1OCc1ccccc1	408537898	HUGBEPQLEWGWPA-ZMOGYAJESA-N	667.478	8.189	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408540936	CYPWHJHSHPQRDV-OCKHKDLRSA-N	594.232	7.338	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(Br)c(Cl)c1	408568333	JALOGIJIVPWWSC-UVHMKAGCSA-N	564.958	6.518	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1	408569507	OIGVBXHRCUDQPO-VFLNYLIXSA-N	577.511	6.278	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1	408659722	PEANUTJZJYEOGU-UPVCBNJPSA-N	679.383	7.475	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(F)cc1	408741991	OSQVCFCUGRFBGX-MYBYBSHWSA-N	595.674	8.302	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(Br)c2)cc1	408745664	UWFNOCCBLKOYAC-UNOMPAQXSA-N	511.803	6.626	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	408746993	IZOYWTXSCKEJSI-KCSSXMTESA-N	626.878	5.918	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)ccc1I	408747741	SGXRJHLBCYWIMX-KKMKTNMSSA-N	613.221	5.553	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1cccc2ccccc12	408749767	TYBPRSMKLQMTRS-AMVVHIIESA-N	605.259	7.103	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)cc1	408787512	BCGXFECNHZHGFX-XDHOZWIPSA-N	528.777	6.378	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)c(C)c1	408787862	GZSRTDOBPGKVCW-DJKKODMXSA-N	652.245	6.776	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408790584	XBDLMGBDVDKDFA-REZTVBANSA-N	627.693	7.693	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408794342	ICFHQBWBFPSMLF-LPYMAVHISA-N	620.297	7.276	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408794849	KHFDMEUSKRYTRR-DJKKODMXSA-N	607.275	7.348	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1cccc2ccccc12	408798997	XQACPXGLSMKIRL-HYARGMPZSA-N	561.863	7.779	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC(C)C)c(OC)c2)cc1	408808003	IREKHDQXAQZDHY-MHWRWJLKSA-N	506.340	5.031	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408825508	INDUWGSNCUUQPI-LFVJCYFKSA-N	570.001	6.960	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408826465	GRRSDRFSAQHFDC-BBUXEPKYSA-N	739.703	6.627	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(C)cc1	408847031	SGSHMBCTLNEYKB-ODNPBWNPSA-N	655.618	8.675	50	40	KKGB	
COc1ccc(SCC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1	408847268	SQRNUPNWOBVUOG-KSEXSDGBSA-N	511.850	6.098	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1	408849051	UDGYFNCTTXTYLF-WBIBEUCMSA-N	588.922	8.756	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)c(Br)cc1OCc1ccc(F)cc1	408850302	KVZYZBWEVSUFHA-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cc2cc(Br)ccc2o1	408853851	YJOZECKFXMTAOD-ULPWCQAASA-N	541.232	7.269	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408857244	FMBSVWIAAMLWEJ-SAEPALGJSA-N	660.114	6.991	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408859582	VIIKZVDKDBBTOP-AAPHRLRXSA-N	637.155	8.336	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1	408863637	TYQKTNKERDIMQI-QUPMIFSKSA-N	507.656	5.141	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1Cc1ccccc1Br	408874481	CHZHBBOFLDLAAT-CIAFOILYSA-N	615.309	7.206	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OS(=O)(=O)c1ccccc1	408885861	GARWXHTUZSDGPX-RCCKNPSSSA-N	624.456	6.156	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408888590	XOVSEXLZVQIRKS-VCHYOVAHSA-N	531.417	5.932	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1	408904412	JBKLKKTUIFNOCS-QDTIIGTASA-N	572.799	6.499	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1	408927106	ZQJCHLPWILVMET-RQZCQDPDSA-N	574.790	6.673	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(OCC)c1	408939714	BHHNNPOMEMKXIX-LJAQVGFWSA-N	807.505	5.916	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cn(Cc2cccc3ccccc23)c2ccccc12	408940620	CQHVPTHPLAOWJX-UUWRZZSWSA-N	631.758	5.728	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c(OC)c1	408951267	IHBODMBQANWYNI-HVJLQFNCSA-N	748.400	5.658	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)c(OC)c1	408954996	OALHQBUKGITRSU-PDQWDMBESA-N	842.400	5.343	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)c(OC)c1	408956241	QARUTDYZGNHKIH-WHNQQBDFSA-N	736.019	6.563	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(F)cc1	408962653	IZILXJYBTACRRK-XKJRVUDJSA-N	525.296	5.959	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408966427	OIXAKNPXPWRHEV-KBKYJPHKSA-N	529.292	5.899	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC	408972460	UBOYXXHHEBJFNI-CBESOTNSSA-N	637.358	5.808	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408989469	HUOPWJNYOZHBNY-DMDQUIKNSA-N	668.757	6.936	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	409016204	VALLFKYHSSWNIP-WYRGDFJZSA-N	713.743	6.875	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(Cl)c(Cl)c1	409038302	VESACRRHFANRNX-VTNSRFBWSA-N	513.428	7.380	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1Cl	409053490	YWBIPLIBZPEFQX-LUOAPIJWSA-N	554.641	6.655	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409065645	IJXORBQTXSPMDJ-RIYZIHGNSA-N	641.681	6.087	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OS(=O)(=O)c1ccccc1	409074053	JWOVOWCCPHAEHF-LFIBNONCSA-N	547.814	5.424	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cc(Br)ccc1O	409087811	HVCYMISWSRLMEB-OPEKNORGSA-N	677.074	5.707	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)OCO3	409102922	BULYBDUZZOXOQL-HSZRJFAPSA-N	511.759	5.628	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)[C@@H](O)c1ccccc1	409147494	WVQDEVFGMNXQCK-XDEUHKGESA-N	596.470	5.380	50	40	KKGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2Cl)cc1	409152584	JQHOGGKFIXOSGR-VFLNYLIXSA-N	547.826	5.316	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cc(Br)ccc1O	409162517	WELQLLPJSBLABN-CCVNUDIWSA-N	554.238	6.413	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	409186044	VSXBPSKFGMWVRF-MHDJOFBISA-N	633.985	6.717	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)cc2c1	409186717	GXTLTXGSZWGRFS-DBFSUHOCSA-N	590.243	6.839	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc5ccccc45)c(OCC)c3)cc2c1	409188476	ZOZRWZYJHZRWBZ-OHUYPAJKSA-N	587.470	7.489	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)cc4Cl)c4ccccc34)cc2c1	409188515	ZUSODUHGTKSCED-BVMLUPFRSA-N	520.416	7.214	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1cccc(C)c1	409217943	RTZXFGLKEUWSDV-UVHMKAGCSA-N	533.875	6.241	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409218874	IAHUWSXJDBVIIP-UHFFFAOYSA-N	597.540	5.137	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409224757	MGXRLSWPXJGQRF-LICLKQGHSA-N	544.822	6.609	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccccc2Cl)c1	409224988	OPEGXTQMJGAZKZ-UHFFFAOYSA-N	620.843	6.067	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409226687	RBNHDSRGDMRNBS-UHFFFAOYSA-N	631.439	5.991	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1	409227613	QUFPWGIWZRLAJW-ZMFRSBBQSA-N	567.196	5.465	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1cccc2ccccc12	409248851	RRIOLGZEOHECKP-LJUMEUDFSA-N	535.413	6.412	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)c1	409263955	IUWTUCXHJJLVKX-XDHOZWIPSA-N	522.374	5.768	50	40	KKGB	
C=CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OCC)c(OCC)c1	409318650	ZHZCXQQGHWLOTJ-CFRMEGHHSA-N	526.225	5.338	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)cc2)ccc1OCc1ccccc1	409326967	PDJKQMCMEDPPPM-MNBJERMJSA-N	500.982	6.271	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409363403	LRHWZZYELAJXOL-ULPWCQAASA-N	629.132	6.561	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1	409366171	ZCECZVZKKHNNEX-UVHMKAGCSA-N	547.247	5.361	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409378936	SOEZDYJRSFCCQZ-UNOMPAQXSA-N	550.409	5.425	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409394668	DKCUTILLTDCBCF-UHFFFAOYSA-N	675.288	8.906	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409395119	KCMGVFRYKCFZSV-UHFFFAOYSA-N	729.303	8.091	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)cc1	409395343	MLVKGFWKNJOXLA-UHFFFAOYSA-N	574.036	7.633	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409396315	XQAJNDZUZJXGME-UHFFFAOYSA-N	771.216	8.022	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc(Br)cc1	409398283	SDWJDTGBSPMVSF-UHFFFAOYSA-N	588.461	7.734	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccccc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409399132	XXTIRHKHXLXECN-UHFFFAOYSA-N	612.082	7.277	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(-c4ccc([N+](=O)[O-])cn4)c4ccccc34)o2)cc1	409400722	FFGMOJNCMSWSML-DLCNMLRHSA-N	574.597	6.277	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccc(C)cc1	409410282	UUTQNTJEDRAVSY-IDWIKUEFSA-N	591.664	6.956	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCc1cccc(Cl)c1	1529548824	OHHWIRHKWUWVSF-LNZKYNOCSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	1769499	AKEPCLXDIFWKEB-SFQUDFHCSA-N	567.450	7.713	50	40	KKGB	
CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2	2335141	TXLXVTMLPLQZLL-NTCAYCPXSA-N	529.445	7.305	50	40	KKGB	
CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c2ccccc2n1	2759849	KNJJQSCFBDKSEF-KEIPNQJHSA-N	531.612	6.652	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1	6906946	RNVSXWQUVFGCQK-KPGMTVGESA-N	537.494	6.047	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cccc(Br)c1	8817391	YPDBHSDLUMIFDX-ZVBGSRNCSA-N	513.895	5.489	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)/C(=C\c1cccs1)NC(=O)c1ccccc1	8843284	OZCAIXTZNOVNNZ-CKQOFQMJSA-N	504.615	5.672	50	40	KKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1	12273783	NXVJIBDAJQLPPG-SCHJHDHGSA-N	516.066	6.748	50	40	KKGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc21	14134298	NBRXEMJGMNUZTN-CCVNUDIWSA-N	522.390	5.165	50	40	KKGB	
O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)NNC(=O)c1ccc(Br)cc1	51103368	GVCIXHNGNQKVBS-UHFFFAOYSA-N	529.847	5.054	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	58871841	AGTAITSJKHSKHJ-WKULSOCRSA-N	523.010	6.010	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1Cl	59598721	TWWJJZHXBDPXIW-MZJWZYIUSA-N	516.823	6.544	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	97950480	WLHONIREPFARLX-MHZLTWQESA-N	546.092	6.903	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccccc1O)c1cccc(F)c1	97961815	IWZZHBLOIVVFBP-OPEKNORGSA-N	536.151	5.039	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1	97962158	QCEQROIGXDUWGM-WOJGMQOQSA-N	555.803	6.863	50	40	KKGB	
O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	98001444	YXEGGHGEWFEJLU-VPUKRXIYSA-N	656.100	5.213	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	100226361	GKHOOTOWMDAVHJ-NVMNQCDNSA-N	584.668	8.293	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(C)cc2)cc1	100380220	UETIBKMUFNXRMD-FDAWAROLSA-N	564.708	5.609	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(Br)c1OCC(=O)Nc1ccccc1OC	101571669	HPECGBHTLZNPIS-CPNJWEJPSA-N	580.435	5.428	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1cccc2ccccc12	101710760	SKOSLURPEDZVGS-PCLIKHOPSA-N	602.472	7.530	50	40	KKGB	
CC1(C)CC2=NC(SCC(=O)Nc3cccc(Cl)c3)=C(C#N)[C@H](c3ccc(Cl)cc3)C2=C(O)C1	102580870	KLBPHZNXPWIEKO-QHCPKHFHSA-N	512.462	7.271	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccc(OC)cc2)=C(C)N1	102808408	ASDVEHLKSYJEPJ-MHZLTWQESA-N	544.633	5.393	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)NC(C)=C2C(=O)Nc2ccccc2)cc1OC	102809355	ZKVRFVUDIHRGRO-LJAQVGFWSA-N	554.672	5.719	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2Cl)N1	102810145	GPRJJTDRNZSGPB-RUZDIDTESA-N	535.094	6.417	50	40	KKGB	
Cc1ccc(-n2c(C)c3c(c2C)[P@@](=Nc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N(c2ccccc2)N=C3)cc1	102937932	WRVRGBYLAAPVEU-RRHRGVEJSA-N	545.583	7.564	50	40	KKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c1C	103846052	RAAJMVKMERADDH-RPPGKUMJSA-N	533.264	5.959	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)[C@H](c3ccccc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)[C@H]2c1ccccc1	104307846	ITPHRFCCQSMNNU-RNPORBBMSA-N	618.828	7.899	50	40	KKGB	
COc1cccc(/N=N/C(=N\NC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)c1	104315659	GCBJAYRRJVMFFP-QEEVISEHSA-N	544.015	5.872	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	104401993	MWVIWCGKUKDLEE-LGJNPRDNSA-N	577.229	5.861	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](OC(=O)CBr)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C	118936165	KHVIWBCFNVESQF-VGAXZYKLSA-N	507.597	8.024	50	40	KKGB	
CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341473	RVZUHLORBZPWBY-LLVKDONJSA-N	700.255	10.330	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342047	BFFQHCGJBKAZKF-REOHCLBHSA-N	742.023	9.022	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)n1-c1ccc(F)cc1)NNC(=O)c1ccc(Cl)cc1	150385866	SQIDYCDFTBKMKY-UHFFFAOYSA-N	637.118	5.081	50	40	KKGB	
O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCCl)CCCl)cc3)cc2)cc1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	150389895	ZNQNVDCXSBTBGB-UHFFFAOYSA-N	814.641	6.719	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@@H]3ON=C(c4ccccc4)[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	169811307	PCPWWUPRFBJKIV-PJKYWEIRSA-N	613.634	6.821	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cn(Cc4ccc(C(=O)O)o4)c4ccccc34)oc12	408540608	AHMAKCGUFKPJGI-LUOAPIJWSA-N	536.338	5.262	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408544819	XSIJRVAVBORJSQ-JMIUGGIZSA-N	502.324	5.144	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550096	BKWNCNLHNHBJAK-QDTIIGTASA-N	612.251	5.778	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	408579599	IKTUCLGWXBDFQR-LDADJPATSA-N	518.816	6.333	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1	408640650	BHUZRCPQWKCFHW-VTLVALNESA-N	629.132	5.011	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408643802	QAHBCHQSCNGVPI-OAHLLOKOSA-N	664.112	7.396	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1ccc(N2CCCC2)cc1	408677814	VBJISGUKTFZXRA-WKULSOCRSA-N	777.182	6.444	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccccc1	408743404	SUMXMMHVRRNDBT-MFOYZWKCSA-N	651.198	5.929	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(I)c2)cc1	408744220	JREYVDHPAPOEHS-STZFKDTASA-N	538.385	6.123	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2C#N)c(I)c1	408744774	MSMPMMLETXVASI-MTJSOVHGSA-N	519.342	5.596	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccc(I)cc1	408752760	GRQYMSYDSYQTDJ-HMAPJEAMSA-N	643.319	7.306	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1	408762773	MCLHWNGWKFTZOL-IPPBACCNSA-N	521.333	5.748	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCc1ccccc1	408779095	QZHQYPNLCOKWAY-QDTIIGTASA-N	554.306	5.662	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408782154	IBOIDVORRFVHHG-PNQUVVCRSA-N	578.827	6.320	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408791707	BDMNDKIJBDUBGO-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408794341	IVCIRMUFJNVZSJ-BUVRLJJBSA-N	557.444	7.134	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)cc1	408795752	MYQSWHZAAZYEST-WSDLNYQXSA-N	563.395	5.859	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1	408797484	RXGYULGJNMZOSV-CPNJWEJPSA-N	522.355	5.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(F)cc1	408797962	UPKNVYMQGQVOHK-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1	408828399	MWUOBXDWKXFPKR-HKWRFOASSA-N	600.911	7.177	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4ccccc4c3Cl)cc2)cc1	408838854	JGZNDKKMJZIJRM-KVAAJVFYSA-N	646.950	7.861	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cn(Cc5ccccc5)c5ccccc45)cc3)cs2)cc1	408839215	OWNQGBBSMHLKIF-ALQBTCKLSA-N	541.680	7.629	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	408841553	JRDUUTNQDMMNRH-IURWMYGYSA-N	634.434	6.848	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1C#N	408841949	HJDQFKTUIQDHNN-RQRWGXNHSA-N	642.568	8.474	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(OCC)c1	408842366	JLZFYWJXWXRRKS-MUFRIFMGSA-N	521.042	6.768	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2cccc(F)c2)c(I)c1	408843443	MSNKMIIMSXBMLI-JJKQSNDFSA-N	654.427	6.921	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408844554	UHYLCKHGUNBJQB-ZHSUKTGHSA-N	551.569	6.740	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Br)cc1	408851502	CFHYEBJJMHRWLZ-UQQQWYQISA-N	540.461	6.504	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408861224	AEKKTFDFTNGYLP-QIAFAXPKSA-N	552.252	6.181	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)cc2)cc1	408861521	SFEUSBXBBANKNI-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccc(C)cc2)cc1Br	408863589	SZCJGFJDTCTTLN-RWPZCVJISA-N	558.498	5.037	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCc1cccc2ccccc12	408866527	GRULBAYVCPSLSW-PASRFSJESA-N	582.482	6.699	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)ccc1OCc1ccccc1	408872832	JNOSZMLSBOIWJB-XBQJKBNESA-N	547.699	6.493	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)c(OC)c1	408873284	SFGBBCNGYICWQD-RGVLZGJSSA-N	586.280	6.031	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCN(c5ccccc5)CC4)cc3)c2C)c1	408874456	BXDKCZGIDVMUOH-PPOKSSTKSA-N	519.693	5.797	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	408882004	PKHNSQPPYKBETL-GZTJUZNOSA-N	565.367	6.090	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1	408887556	RPOSLPVLDMKPMP-CAOOACKPSA-N	591.245	7.187	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408887647	SCOGTCLSMBJVPV-FYJGNVAPSA-N	569.477	6.086	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2Cl)cc1	408897618	YZHLBLVIPMQNDL-CXUHLZMHSA-N	659.183	7.449	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408900086	SPYSSBDVFAQUGM-LZYBPNLTSA-N	610.859	6.576	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1cccc2ccccc12	408905536	YWWTVDLLPFSYLO-MNDYBZJGSA-N	552.856	7.307	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccccc2Cl)ccc2ccccc12	408938950	ARSDVWRWUPRYLS-JGCGQSQUSA-N	643.165	5.957	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1C#N	408947519	NVEABCSFOMWHFE-MUUNZHRXSA-N	741.462	5.547	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1	408948364	FSGQVDSGYWUFBE-MTJSOVHGSA-N	564.867	6.437	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)c(I)c1	408948659	PRSVZRUBSGODBE-GDLZYMKVSA-N	698.583	5.064	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccccc3Cl)ccc3ccccc23)c(OC)c1	408955853	PKYIYXATLZXVKP-LUZLDADYSA-N	657.123	5.801	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)c(OC)c1	408957614	VGVBZQDJZBVKEV-VPGFCPDZSA-N	738.867	6.015	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1	408963133	MWKVXOQELIPIPJ-KKMKTNMSSA-N	522.277	5.719	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408970363	GTQCIXRGFBYRLH-NXANOMBNSA-N	662.352	5.620	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1Cl	408978294	HVLRJIJONPOPCT-PYDFSNLISA-N	556.062	6.329	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1	408991099	MSMSGVYRBYYYDV-XNLJVIEDSA-N	644.134	7.234	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	409006037	LICYAFYURTVGJV-SUNKCLBTSA-N	651.672	5.663	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409020959	WGCIXDCLOKOUCN-OOEWDAAOSA-N	757.431	8.866	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1	409049983	ZEIBMQAMGGWOCY-VCHYOVAHSA-N	544.218	6.784	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1cccc2ccccc12	409067549	FFJFBAQUFBCJMA-PCLIKHOPSA-N	519.557	6.610	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409079579	LAKHCWAYEVQUII-MHWRWJLKSA-N	630.351	5.853	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409079960	KKLCNZMJBZPPGV-AWNIVKPZSA-N	567.263	7.167	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409085476	XDFYLXIBFYECJH-OQLLNIDSSA-N	610.770	7.766	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(OC)c(OCc2cccc3ccccc23)cc1Br	409089731	JYNJYHZKJOWFOH-HMAPJEAMSA-N	543.417	6.744	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F	409171151	ZDBCVALUYKBKFF-JJKQSNDFSA-N	625.373	5.112	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)cc2c1	409186297	ABWIAYFUSDPEPM-CPDSRJINSA-N	508.361	6.353	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409201231	KSEBLHNAFCHFQO-LUOAPIJWSA-N	697.163	7.024	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(I)cc1	409216156	FTMMCTRHLWQUFU-ODLFYWEKSA-N	560.775	6.895	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c2)cc1OCC	409226724	RYWSFAQOEWRKLQ-UHFFFAOYSA-N	699.385	7.789	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)cc1	409256769	PXDIPMKCMNMIOY-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br	409258410	TZNIQLDCSHPFGL-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409261719	AOKYXLLCXYLMIO-GZOMZLSJSA-N	712.670	8.422	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)ccc1OCc1ccccc1	409265303	RZOZFIUKMOYICY-KMUKQRDJSA-N	646.538	6.525	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1	409267385	UIIUCQKPCIDXPS-ODLFYWEKSA-N	583.280	6.392	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409309485	ICINXAAEGXBKNN-LEWJYISDSA-N	568.866	5.155	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OC	409311995	IZRCJWAVUOUKQS-DICXZTSXSA-N	581.872	5.432	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OCC	409319964	OEOPHOJXYCCSIG-ZMGVVAQMSA-N	671.359	7.527	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCc1cccc2ccccc12	409384031	WSWHKXNNTIOWHF-HYARGMPZSA-N	620.537	8.689	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409385505	KYMHLONBRSJHMA-KVSWJAHQSA-N	601.410	5.501	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409394812	GFZKSUPJVRNQSQ-UHFFFAOYSA-N	636.424	7.608	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)[nH]c12	409395884	SVKGRPWEMWMRLI-UHFFFAOYSA-N	690.978	7.822	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1cccc(C)c1	409400622	DURALRMBEIVDAE-CLHYIUPASA-N	656.577	8.079	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(O)c(I)c3)o2)cc1	409401194	GTUBMXLIJUWINO-QDTIIGTASA-N	681.268	5.945	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409404553	QFPMFUUCTVZQOW-CAQPMQTCSA-N	592.490	6.756	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)o2)cc1	409406936	YDNSMINQFLPAMB-QMRORBIVSA-N	633.488	7.824	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1	1531387254	ZSOLVHCGNUXABI-UXHLAJHPSA-N	520.501	5.082	50	40	KKGB	
CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C	1569992550	RUSKMTKSRJEHQC-BPNQLQRCSA-N	614.547	9.342	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(F)cc1	2301476	FWITUAQSWNJUJT-RQZCQDPDSA-N	515.766	6.375	50	40	KKGB	
O=C(/N=C(/Sc1cccc[n+]1[O-])C(Cl)Cl)Nc1ccccc1Oc1ccc(Cl)cc1Cl	4277534	JLUPULGZBNXQLQ-LGUFXXKBSA-N	517.221	6.946	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)c(O)c1	8386791	SRDOHGJYSQFMCO-JVWAILMASA-N	509.404	5.017	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@H]1c1ccco1	9068920	CAUJHPWYJDWDBJ-VWLOTQADSA-N	503.555	5.378	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2ccccc2c1	59333078	PBTXUCDJDJVIST-BRPDVVIDSA-N	517.629	6.073	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H](Cl)[C@@H](Cl)c2ccc([C@H](Cl)[C@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	68563482	LYNBJUDBJRYFET-FNAHDJPLSA-N	604.186	7.839	50	40	KKGB	
CN(c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1c(Br)cc(Br)cc1Br)C1CCCCC1	98001205	FNOMHPDKJZKQJF-RPPGKUMJSA-N	647.162	6.180	50	40	KKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4Cl)cc3)CC(=O)N2C1	98048444	KDNCRJLDGOFJAW-QFIPXVFZSA-N	536.484	7.100	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@@H]3C(c4ccccc4)=NO[C@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	100011893	PCPWWUPRFBJKIV-SUSVYMRXSA-N	613.634	6.821	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1	102078577	ATBPDAQZZCEECS-CKVBZJJFSA-N	601.295	6.416	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C)cc3)=C(C#N)[C@H]2c2ccco2)cc1	102760634	ITGMBWLGNCZYIQ-MHZLTWQESA-N	556.644	5.471	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12	102933341	SLANUFNDIMGBSF-XSFVSMFZSA-N	556.372	6.584	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl	102933402	USMHGPVYUSCRCO-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC	103841977	DFTDDDQSOZIYCL-YLRSXTQRSA-N	543.405	5.224	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccccc1Cl	103890874	PPXOCANCNYXWDN-MOSHPQCFSA-N	527.835	7.509	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Br)cc(Br)c1OCc1ccccc1Cl	103900137	DOURDRVQGWVQHT-KVSWJAHQSA-N	612.771	6.836	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	105437535	UKKPITMHZWCGJF-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccccc1C#N	106440344	CIYUCYXXQWTNGN-KEBDBYFISA-N	620.472	6.108	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(C)cc2)cc1Br	150462980	UHTKMSKJJNNPKR-VTNSRFBWSA-N	643.991	6.173	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795504	OJLRPZXRBJZULH-VXKWHMMOSA-N	998.438	15.332	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2OC)ccc1OCc1ccccc1	408538525	OFQWQDRYPKYSNG-NTFVMDSBSA-N	597.111	8.068	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)c3ccc(Br)cc3)cc2OCC)ccc1OCc1ccccc1	408540197	ONDMGUQAQPZRDN-JVWAILMASA-N	663.406	9.231	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1)Nc1ccc(Cl)c(Cl)c1	408551411	CPRSBCQAMDYNFI-QNVXDBMFSA-N	650.975	8.295	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408553740	PJAGFJMIHRUIHP-YBEGLDIGSA-N	530.795	6.219	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408641362	KBFKMJOVSOIDNF-WCVJEAGWSA-N	686.011	6.462	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1	408644346	QZORTAHWIVUIBF-MHORFTMASA-N	635.111	5.295	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408671402	KWMFUVPXUBVJNN-JHNDHUHGSA-N	574.191	5.384	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408744229	DNUHKPAXIGYSIT-BOPFTXTBSA-N	502.195	6.881	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408780719	IZMRPTHHVSUYMX-UNOMPAQXSA-N	540.845	6.302	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(I)cc1	408789215	ONAUUZOFOGKVMT-WOJGMQOQSA-N	637.699	7.230	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1cccc2ccccc12	408793264	OBOQYNWAVOYKDL-LPYMAVHISA-N	517.412	7.670	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408832554	ZOCAVUCHDAVPIC-HNSNBQBZSA-N	656.986	6.426	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4)cc3)cc2Cl)c1	408832753	ITHKOLHHYSIFAY-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408837943	AWAXYAPOUQDLFE-KVSWJAHQSA-N	585.867	6.197	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)c1	408838637	YTDLHHQRMNQSBN-FABQOPTDSA-N	703.011	6.053	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)ccc1I	408842236	JJELYAOYNWQIMC-MHDJOFBISA-N	665.988	8.292	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845790	RQONKCTUVXLMLZ-XJECJHNESA-N	580.088	8.113	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccccc1	408859276	NSESTGWHTAAAJG-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408861688	FNYMSPPAFVPTNH-FDAWAROLSA-N	624.513	5.540	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccccc1	408865928	CQHACKVVPXXICB-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408879089	FHUGUSQTJAMNED-MUFRIFMGSA-N	562.376	5.892	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408879407	FXANMUKVXPCYEU-BIZUNTBRSA-N	579.078	5.058	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408880898	JIFOUWMIPLVJSG-GZTJUZNOSA-N	545.386	5.219	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(I)cc1	408881421	LAQWYKDBOUFUHO-RVDMUPIBSA-N	556.272	5.446	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OC(=O)c1ccc(Cl)cc1	408887405	NYZHVRWXFDFAGL-LDADJPATSA-N	572.786	6.108	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1cc(C)cc(C)c1	408892358	YTVLFHVLSGUGTE-WSDLNYQXSA-N	600.884	7.393	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1	408943756	LZRXZEVFVLYFGS-LRIZEKIPSA-N	570.092	8.602	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408964360	QZMUOUVPKGPUOJ-KVSWJAHQSA-N	511.725	6.464	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c(Br)cc1OCc1ccccc1C#N	408981607	VYEGFIMVQWWGTD-VIVICKJKSA-N	661.578	5.777	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc(OC)c1OC	409000217	XSKYWSICKPKZHS-DPNNOFEESA-N	632.467	5.710	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c(C)c1	409028968	VTNRWMVBCSNKGH-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409081173	GNSVZGDHBSDCGU-MHWRWJLKSA-N	523.299	5.912	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	409122209	YUDLZGSZMZYBBH-RWPZCVJISA-N	518.466	5.205	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409123607	HPQXYHZTNAAFKJ-QHCPKHFHSA-N	624.306	6.306	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)[C@H](O)c1ccccc1	409145857	QFUGIEOXWSPJAV-KSRKCLLLSA-N	646.650	5.312	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409154907	LDKJTULJESITFX-KPGMTVGESA-N	605.411	5.745	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3C(F)(F)F)c(OCC)c2)cc1	409156910	PIYKWWFUTWASOC-AABVJFSESA-N	710.447	5.380	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)Nc2ccccc2OC)nnc1-c1cccc(Cl)c1	409190483	OLDNXKQQQINKPO-CPNJWEJPSA-N	561.023	6.232	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC	409222184	CFVKJSCDLQMEQV-OHUYPAJKSA-N	612.595	5.164	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c2)c1	409222978	DXBVHDFPNOXWFV-UHFFFAOYSA-N	641.272	6.049	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OCC)c1OCc1ccc(Cl)cc1	409246779	BDNMAGZZDSORNF-WKULSOCRSA-N	525.074	5.695	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1	409248591	LJTUZAAZJJLYLQ-XODNFHPESA-N	559.233	5.883	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C	409249974	KNOMGZGGZZOUQS-SAEPALGJSA-N	654.192	8.004	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1C	409254014	HIORRKJUBHKLGO-YBFXNURJSA-N	527.930	6.539	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409260611	STFIIUDYOKPSML-UUYOSTAYSA-N	518.013	6.145	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409264449	KIZXRCRSQPXTCO-QORIIEMTSA-N	516.812	5.729	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)cc(Br)c4OCC(=O)Nc4cccc(C)c4)cc3)cs2)cc1	409265458	IMAIABJECSZTMK-RODHXAHZSA-N	733.486	8.477	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC	409315723	OICJGIDNBFZTJK-MBTHVWNTSA-N	574.415	5.358	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)cc1OC	409324367	SNEULXSNIIQLNU-FDVSRXAVSA-N	545.405	5.737	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OCc1ccc(Br)cc1	409371536	GZPTVNMWFJHPKG-MOSHPQCFSA-N	560.229	7.096	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409372476	YGVPFIQXDFOQMN-MFOYZWKCSA-N	568.213	7.779	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	409372806	KVUGPCYBFCYRKS-ROTLSHHCSA-N	592.200	5.300	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1	409373156	NCOUGWPTCQWCPG-AMVVHIIESA-N	649.710	7.212	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409384680	FFYCHRSZGVUJLL-AMVVHIIESA-N	570.454	7.196	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396585	XUSLINDOUVJFMZ-UHFFFAOYSA-N	585.582	7.544	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409397621	LZLSXNNKGUSKRN-UHFFFAOYSA-N	640.843	8.253	50	40	KKGB	
C#CCOc1c(CC=C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409400115	BLQYDECPGLHMKI-ZXSNDDASSA-N	551.643	6.169	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	1529548211	ZCTPLTUXTUACLE-MKEMXLLOSA-N	854.461	5.058	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	1740804	AFZDVEPPDFPLGA-UXHLAJHPSA-N	513.667	5.791	50	40	KKGB	
O=C(Oc1ccc(OC(=O)c2ccccc2)c2c1C(=O)C(CBr)=C(CBr)C2=O)c1ccccc1	1761178	TVOWHMMNQGFWOW-UHFFFAOYSA-N	584.216	5.590	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)sc(C(C)=O)c1C	2367474	MSTANWGPLYRODA-GDNBJRDFSA-N	516.442	6.298	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)CCC(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	2754331	HYRNGJILWWOWLQ-RWPZCVJISA-N	528.834	5.859	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C)S(=O)(=O)c1ccccc1	6195549	PPETWBCZXRNXGY-FABQOPTDSA-N	598.647	5.776	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc(Br)cc1	9432050	LPUNYDMTTZBTDU-IMRQLAEWSA-N	526.504	6.154	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccncc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9762558	XOBPFBCHUIKRAH-NDZAJKAJSA-N	514.655	5.268	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	20060136	PPPMSRUBJLERMC-JFLMPSFJSA-N	520.438	5.046	50	40	KKGB	
N#C/C(C(=O)N1CCOCC1)=C1/SC=C(c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1c1ccccc1	33339807	KXMAALYNWASPCR-QLYXXIJNSA-N	500.536	5.001	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	33727828	LXPILTLQBQALOL-JWGURIENSA-N	518.543	5.594	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	59855898	WGKHIJZQWHZHCY-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	59856761	KWCYBGVFJUVHKN-KCSSXMTESA-N	562.478	6.645	50	40	KKGB	
O=C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cl)OCc1ccccc1	95869742	TYHXUSZTTOPURF-SANMLTNESA-N	521.013	5.756	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(F)cc3)c2-c2ccccc2)cc1	97960924	VXQHAEPBPAGHHJ-FADJLKOXSA-N	531.587	6.891	50	40	KKGB	
CC(C)c1cc(C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc(C(F)(F)F)c2)cs1	97965675	AWVWTVCEQQPMST-IPBVOBEMSA-N	525.390	6.996	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(=O)OC(C)(C)C)=C(C)N2)c(OC)cc1Cl	97999476	RUXXKPKGVWCQNI-VWLOTQADSA-N	590.529	6.420	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	100124210	UBBYZDHKYFZFSK-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1C	100124709	JERWHPYFUQWYOD-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1OC	100877252	ZWEKXPGXZZXLCN-CJLVFECKSA-N	548.661	6.724	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	101706238	XPXAFXZCXGFGRD-VCHYOVAHSA-N	563.222	7.031	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3CC)=C(C#N)[C@@H]2c2ccco2)cc1	102808348	PFRQMMKFAVMWLQ-MUUNZHRXSA-N	542.661	5.947	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccccc1C	102933414	KVFIEKZTLHXYNQ-YBFXNURJSA-N	569.355	5.641	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(N3CCCCC3)o2)c(C(=O)OCC)c1C	106698145	PUSVOBPTWLLDAJ-LFIBNONCSA-N	563.470	5.475	50	40	KKGB	
Cc1cc2c(C(C)C)c(O)c(O)c(/C=N\C3=CC=C(C#N)CC3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N\C3=CC=C(C#N)CC3)c2c1O	150415493	XZYNIKFQFFNGBH-RMGMGDRVSA-N	722.842	9.850	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795359	ILXPTVZBCDZANB-QWRGUYRKSA-N	844.141	11.041	50	40	KKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc4cc(Br)cc(OC)c4o3)cc2[C@@H](C)CC1(C)C	223575711	RWSFHALHFABTCO-WBBAFLOHSA-N	512.448	6.388	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2OCC)ccc1OCc1ccccc1	408538095	IZBJBDGMLRAXAM-WGOQTCKBSA-N	601.074	7.980	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)Cc3cccc4ccccc34)cc2OCC)ccc1OCc1ccccc1	408539048	DWMFWVBPKGDURN-KDHRXPGNSA-N	623.149	8.141	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408569258	MOHGTAKARUJWDL-APSNUPSMSA-N	665.200	6.253	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)c1ccc(Br)cc1	408578918	BTZHHSDBXUUDPL-RQZCQDPDSA-N	566.062	7.756	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O	408646791	UNRWQPSATYGYOH-QGZVFWFLSA-N	502.181	5.033	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)cc1	408649353	XUFSLWMIQQFEGG-VPBXCIAMSA-N	752.865	5.578	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408649612	YNNSFYXFLKYNPL-ZYGGUILKSA-N	696.017	5.918	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408657789	JEIZVPMKALZLQL-KIKCKCGRSA-N	664.778	5.198	50	40	KKGB	
CCCCCCCCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1	408676893	AMNCJQDYLQYYLT-GNWGRXFHSA-N	520.464	5.494	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	408678331	XFSCGYJRRSJFEY-KCSSXMTESA-N	538.475	6.674	50	40	KKGB	
CCCC[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408684698	KIDBWCYKDQHQED-LBPRGKRZSA-N	609.677	5.113	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1	408710596	PCSDBNMAVPOGST-LGJNPRDNSA-N	548.231	5.572	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccccc1	408726193	RJJCRUUCEKJCQX-MOSHPQCFSA-N	554.384	5.823	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1	408744975	OGRFMEHGCRXWGO-ZDLGFXPLSA-N	574.244	6.874	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(I)c2)cc1	408746645	UVBWIOCDWXPWKK-MOSHPQCFSA-N	524.358	5.733	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)ccc1I	408747182	KDJNTCAJWHXFAS-AMVVHIIESA-N	694.161	7.321	50	40	KKGB	
O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1ccc(Cl)c(Cl)c1	408751866	DBRHWIWXOGHDDQ-VTNSRFBWSA-N	513.380	7.283	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2Br)cc1	408766814	SFUICUNGFXDYCL-RCCKNPSSSA-N	547.430	6.224	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408776318	YNNMLNVJRVFBCQ-DBFSUHOCSA-N	613.330	5.960	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408792394	BACMQYSRJJJRSC-YBFXNURJSA-N	521.913	5.168	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1	408792406	BHHKVNGDNBTQKF-RGVLZGJSSA-N	584.264	6.431	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(F)cc1	408793032	CYFCHSYOSKNZLI-UDWIEESQSA-N	556.375	6.262	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(I)cc1	408793875	QTUCIPCGIWVHFX-LICLKQGHSA-N	605.226	5.893	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1cccc(F)c1	408795976	NVDRIEGMDDEQTO-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1	408800675	OKBVDIBOTHKPBS-KGENOOAVSA-N	531.395	7.058	50	40	KKGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C	408813316	QPDMNTUGONHLPT-ZXSNDDASSA-N	530.628	6.411	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408821288	FQWTZDWZMLOXOT-SSDVNMTOSA-N	730.342	8.218	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1	408822133	LARCWBQMCDMTRQ-QJOMJCCJSA-N	546.048	6.178	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408824071	GVVUBGVWFSOTJP-LGUFXXKBSA-N	623.934	8.959	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)Cc3ccccc3)o2)cc1	408825129	RLSUYALAOJVJIQ-KBVAKVRCSA-N	570.498	5.979	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408827633	LRHNHZUOASCOOY-JJIBRWJFSA-N	512.968	7.183	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc(Br)c1OCc1ccccc1Cl	408833893	WLQPDJPZBNWRLB-MWBNBJEGSA-N	618.959	7.012	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408840587	HBPGBZFAPYTWTE-HPNXWYHWSA-N	623.731	6.090	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(=O)(=O)c1ccccc1	408840725	FFKNQRSUJDNUSY-MWBNBJEGSA-N	705.458	7.252	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1cccc2ccccc12	408843036	LIJLLGCCYARVJW-FDALDRLYSA-N	598.728	8.367	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C	408844721	CWEMVVFEWMSMGH-UCMJSZAQSA-N	531.616	6.841	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccccc1Cl	408848823	WFTYGCLPSWJIHK-XJECJHNESA-N	709.009	8.472	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1Cl)c1cc2cc(Br)ccc2o1	408850851	SFKMCIJHEQGUAC-PPDIBHTLSA-N	562.645	6.954	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1Cc1ccccc1Cl	408869472	SACQZMDEUSFHEZ-FYJGNVAPSA-N	523.858	7.200	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408872349	DLHMXHQKYHUZAB-WKULSOCRSA-N	691.263	6.229	50	40	KKGB	
Cc1c(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc2n1Cc1ccccc1	408875143	GICULWVJHIMGKI-XAZZYMPDSA-N	580.497	6.509	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3Br)c(OCC)c2)cc1	408878408	ALPHKAFNIIFBPS-FYJGNVAPSA-N	612.318	6.923	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OS(=O)(=O)c1ccccc1	408878906	BPONFTBWASGACF-LFIBNONCSA-N	596.286	6.468	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c(Br)c1	408879582	FIXKIFKIRMDBQS-FYJGNVAPSA-N	655.184	8.560	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OC(=O)c1ccccc1	408880505	KGCBQOPTAIXWHQ-KGENOOAVSA-N	527.374	6.376	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408882716	NQCSEJXJLMRGGO-PTEHHBOZSA-N	746.294	7.996	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408887297	NLNQCAVPVUZYAY-VIZOYTHASA-N	537.186	7.333	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	408924197	LYMODIAWFWVKIS-XDJHFCHBSA-N	537.424	6.768	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2cccc(Cl)c2)c2ccccc12	408939816	BNUNRKAWUSABKS-HKBQPEDESA-N	630.170	5.536	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	408950121	RPPVTXLASJZLOD-WJOKGBTCSA-N	677.610	6.611	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCCOc1ccc([C@H](C)CC)cc1	408971152	NAJAVKWHNZUOSM-HVMFUDPSSA-N	529.464	7.127	50	40	KKGB	
CC(C)COc1ccc(Cl)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408972482	UJLBVSSTLKJTOL-ZEKFQVBUSA-N	556.918	6.130	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408972562	VFQANYUPBKZULE-NRPRZELWSA-N	528.436	5.037	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1	408993638	WMGPEVCWQMCPTJ-OEHLLJELSA-N	652.711	5.824	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408995817	NNFRWLYPQRLUOY-DANHRZQXSA-N	690.266	7.958	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)cc1C	408996363	HTWWLZCZHSQQGC-UCMJSZAQSA-N	621.601	5.857	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409005309	HNUUQZTUEUHXIW-CCVNUDIWSA-N	553.899	5.054	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1	409010607	CRMZZPHCEKJCEK-KXACJBKOSA-N	545.083	5.711	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(OC)c2)ccc1I	409018161	XVXNGGSEAHJCFS-WBIBEUCMSA-N	693.582	6.558	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409034320	NNFBLUYHYAJQAN-NKHVPTTDSA-N	639.764	8.967	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccc(OCc5cccc6ccccc56)c4)cc3)cs2)cc1	409041173	ZLFRJFJPMYTZPY-QLQYKETESA-N	568.702	8.358	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2OC)cc1	409047005	SUOGFPKSZBEKJK-ZSNJKBEMSA-N	594.067	7.083	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)C2CCCCC2)cc1	409114030	PKKRSKHVSDNGRO-ZTKZIYFRSA-N	505.640	5.261	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccccc2)cc1OC	409121521	XPBIRATXPJHRTN-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2Cl)cc1	409150252	AYJOSYCYSHYJFO-KVSWJAHQSA-N	533.799	5.062	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(I)c3)cc2c1	409186549	DPQKPZAUGJLZNW-FTCYSYDXSA-N	688.143	7.848	50	40	KKGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409187568	RYGDCMNACXUANV-ZRGSRPPYSA-N	552.650	5.973	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc2ccccc2c1	409217608	QSGALCOPDYYGDC-OCSSWDANSA-N	505.039	6.713	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409218143	CZTJEDMGFGJJPR-UHIZKJEFSA-N	601.273	7.536	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409220233	ZRYKUSFXWHEVJQ-NOZULVOLSA-N	568.029	6.292	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409243612	ZCUSPDAXSKORES-CTPANLQCSA-N	536.382	5.729	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1	409243864	VLWRHLWHDNNUTR-QCYAWUEASA-N	590.315	7.728	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409249204	IUWQZXMKSDEWFB-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409253814	VMLGKLGUDYHWIW-BKUYFWCQSA-N	625.463	5.879	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl	409255123	HFGVQLUWQOHDSG-OQLLNIDSSA-N	624.116	7.082	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409301248	DKFJRFRCUBWUKY-APTWKGOFSA-N	636.486	6.620	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OC	409306459	ZZCWSYWHXPVIFE-AQLQTECXSA-N	665.766	6.528	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)cc1OC	409315870	WJYFZTBIULMNKW-DICXZTSXSA-N	626.323	5.541	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OCC	409319891	NGYPWTBQDVAZDH-MNDYBZJGSA-N	544.435	5.881	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OC	409320226	CIRXHTCGHPKMQC-FDVSRXAVSA-N	608.860	6.094	50	40	KKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3F)=C2C#N)cc1	409325289	XOFVSCOPQXATFT-HNNXBMFYSA-N	506.422	5.021	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br)Nc1ccc(F)cc1	409361320	CHXSAPOKQNHDIC-QNVXDBMFSA-N	678.971	7.890	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409374329	MNTNAMMWJJOZEY-ZDLGFXPLSA-N	519.355	6.194	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1C	409385237	IDLPMVTYBZMXQJ-UYRXBGFRSA-N	520.383	5.329	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396473	SBNWPMWNFLJGKR-UHFFFAOYSA-N	585.582	7.544	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397393	JIPDOUCKBFKTQE-UHFFFAOYSA-N	577.597	5.801	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3)o2)cc1	409400112	BKAKNCYTNKYNPV-AEUUOICLSA-N	642.068	6.609	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1cccc2ccccc12	409400237	CEONMUJIFJIGKS-WBFBQHAKSA-N	771.506	9.686	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc2c(c1)OCO2	409402538	WHNVRWMGKJSUTM-UHFFFAOYSA-N	593.636	6.346	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(F)cc1	1529549001	RSIYAWDZJSCCOP-LGKFVODTSA-N	616.715	5.018	50	40	KKGB	
ClC(Cl)O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C](OCc2ccccc2)[C@H]1OCc1ccccc1	1560406145	CNMZSHOFNUZMHO-CUTZNAIYSA-N	622.565	7.625	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(I)c1OCc1ccc(Cl)cc1Cl	661033	AKENJNUNAYUHSP-LJQANCHMSA-N	583.213	5.435	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1	1790180	QNNVGRVICDDQTK-JSIHEXFSSA-N	556.844	6.307	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/C(Br)=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1	1873278	MGFXJHOWZJEFNO-HLOWOONBSA-N	582.911	6.226	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(=O)OC(C)(C)C)c1C	2382454	FESCTKACUFHTEO-UYRXBGFRSA-N	523.680	6.905	50	40	KKGB	
N#C/C(=C\c1cc(I)cc(I)c1OCc1ccccc1)c1nc2ccccc2[nH]1	8405670	XZQFVQZJAWAYNH-LICLKQGHSA-N	603.201	6.415	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	13388098	KXWWOARRECFKBG-FYJGNVAPSA-N	517.463	6.891	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1)c1nnc2n1CCCCC2	15906252	AMHRBDRCOSRIPM-LTGZKZEYSA-N	502.530	5.547	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	20059589	NGIJKQOCVJWANP-CVKSISIWSA-N	510.830	5.383	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CCl)COC(=O)CCCCCCCCCCCCCCC	72400282	FLDCAMVHHWVNHF-DHUJRADRSA-N	615.424	12.423	50	40	KKGB	in-vitro
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@H](c3cccc(Br)c3)Nc3ccc(Cl)cc3[C@@H]2[C@@H]1Cl	97951143	KUAAYTYBXYXPSK-JCTDHXFVSA-N	550.305	8.049	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1	97960829	CYPLRSJKJZRMFW-VYVUJPJFSA-N	631.535	8.261	50	40	KKGB	
Cc1ccc(/N=C(O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1Cl	97968646	KMGFTDBKQKMFKW-GFPZRUSRSA-N	552.881	7.125	50	40	KKGB	
COCOc1ccccc1[P+](Cc1ccccc1)(c1ccccc1OCOC)c1ccccc1OCOC	98174909	ZYCQEPSOZHATJJ-UHFFFAOYSA-N	533.581	5.129	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)Cc2ccccc2)cc1	100070325	GBFDJGYWVIBSPO-AEUUOICLSA-N	625.673	5.413	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1C	100118413	HQVQMPTVIQIRLG-QCFMCPCVSA-N	576.722	6.562	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100122847	PXLSDRAKAVPTAA-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1cc(Cl)ccc1Cl	100130729	AAORXSUJAZZHQY-KBKYJPHKSA-N	525.299	6.547	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccccc1O	100178449	MHSWQXSMGWFFIT-MWOMOUDGSA-N	547.998	5.012	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Br)cc2)cc1	100339545	CCYALVZVZGPOLK-SFQUDFHCSA-N	522.311	5.131	50	40	KKGB	
O=C(N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21)c1cccs1	100685899	QSPKJYXTBIHPRK-BXVZCJGGSA-N	559.489	5.651	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	100876800	IOMSFXYLSCBLFC-IQUBBUBFSA-N	524.429	6.067	50	40	KKGB	
CC1(C)CC2=NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C(C#N)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1	102578580	AYHNWQWLUNQVPT-HSZRJFAPSA-N	546.014	7.636	50	40	KKGB	
CC(C)=CC[P+](CCCCCC[P+](CC=C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	104214957	XORIGDZTECZZNH-UHFFFAOYSA-N	592.788	9.816	50	40	KKGB	
ClP1(Cl)=N[P@@](Cl)(N2CCOCC2)=NP(Cl)(Cl)=N[P@](Cl)(N2CCOCC2)=N1	104382637	BKVIZHZTUMEHDQ-DIVCQZSQSA-N	564.870	7.882	50	40	KKGB	
Cc1c(C)c(C)c(CS/C(=N/[C@@H]2C[C@H]3C=C[C@H]2C3)P(=O)(c2ccccc2)c2ccccc2)c(C)c1C	106853072	WIUABJLTNQUZQC-QYJNVDHPSA-N	513.687	7.797	50	40	KKGB	
CO[C@H]1O[C@@H](CBr)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1	150412638	ZJEJBLWGAZBXNH-GRPPMYKFSA-N	984.043	13.885	50	40	KKGB	
N#Cc1ccc([C@H](Cl)[C@@H](Cl)c2ccc([C@@H](Cl)[C@@H](Cl)c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	226333639	SPXGECHQSXUQAE-KIHHCIJBSA-N	564.212	7.766	50	40	KKGB	
CC(=O)[C@H](/C(=N\NC(N)=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	245240234	OWHOMSYXRWWYIM-WSDQENQYSA-N	563.780	5.496	50	40	KKGB	
CCOC(=O)[C@@H]1[C@H]2OC(=O)[C@@H](C(=O)[C@@H]2CN(CCCl)CCCl)[C@@H]1[C@@H]1CC=C(CC2=CC[C@H]([C@@H]3[C@H]4C(=O)O[C@@H]([C@@H](CN(CCCl)CCCl)C4=O)[C@@H]3C(=O)OCC)CC2)CC1	263613190	YZPKFJWODMRSRW-VDNJFAKISA-N	904.753	5.461	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2OC)ccc1OCc1ccccc1	408536605	ACGHNSKOILSEEL-DICXZTSXSA-N	627.535	7.787	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408548015	BVLXZYHPOCACHH-UUYOSTAYSA-N	539.256	8.561	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc2ccccc2c1	408548953	OCZVINFPUGVJHW-JJFYIABZSA-N	564.233	7.916	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408551672	OZBQFUXHFNJZPL-QRVIBDJDSA-N	592.408	7.064	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)c1ccc(Cl)cc1Cl	408579990	MIIWYJUCXPPMGI-VIZOYTHASA-N	556.056	8.301	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408580058	MUVOBKZJCCMZOD-AWNIVKPZSA-N	612.163	7.279	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408710724	HOVALCTXMFKIRY-AMVVHIIESA-N	741.161	7.163	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408726465	BRCMWNFBNCEUOW-KIBLKLHPSA-N	512.187	6.009	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)cc(I)c2O)c(Cl)c1	408742622	WXDBURLPTJGRDX-YSURURNPSA-N	572.628	5.584	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OC	408757511	YTPNJMOMYCBPAR-QPEQYQDCSA-N	527.156	5.007	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc(C(C)(C)C)c1O	408761987	IPMWIUNDPQHEJW-ALQBTCKLSA-N	608.577	6.850	50	40	KKGB	
COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@H]3C#N)c2C)sc2c1CCCC2	408773525	RFDZJTGSGJKRCG-IWWNZOLISA-N	524.650	5.029	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1Br	408779504	FUSVGPZBQRWUGW-JAIQZWGSSA-N	570.281	6.962	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1	408781329	BOPCWUNEZWNAMJ-ULJHMMPZSA-N	593.465	5.525	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)ccc1OCc1ccc(Br)cc1Br	408782797	ZBNQYMBVPIBAFZ-ZDLGFXPLSA-N	567.199	7.882	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408788145	IOVCREYAWLRWIP-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(I)cc1	408789824	RVELISVMDRLLNQ-RQZCQDPDSA-N	670.672	6.682	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1	408790148	UGEATHBXUOAZOF-YBFXNURJSA-N	696.254	6.336	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1C	408790642	XLNKXTODGDSTIW-UDWIEESQSA-N	506.356	6.099	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1	408795925	NQBJUJFPNLGANB-SRZZPIQSSA-N	612.265	6.612	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1C#N	408796743	ZAYZNBBGRXLIGX-SSDVNMTOSA-N	516.395	6.071	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1	408798872	WZYKMNWPJHHVFU-FYJGNVAPSA-N	567.411	6.288	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408799179	YCVWFXPSVFZMAQ-RQZCQDPDSA-N	570.299	5.232	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)c(C)c1	408805964	DDJQHDWUSJGEIO-SRZZPIQSSA-N	505.958	6.388	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1	408812237	OALIHHPHGPZUMD-KKJJZKEWSA-N	540.255	6.575	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408814193	RWNNFIXOZMFJRB-ZSOIEALJSA-N	557.288	5.751	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1Cl	408817597	LWTWOVJFOQVMJC-KBVAKVRCSA-N	552.414	5.893	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(Cl)cc2)cc1	408828859	JTFXKGKKMDKYRW-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408831116	PQWUBFBHUAEPFX-OEAKJJBVSA-N	563.868	8.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408831149	PZUADVITJJWIQD-CVKSISIWSA-N	642.506	7.768	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc2C)cc1	408832297	SOJRRHHYIKISTC-OKCVXOCRSA-N	556.471	6.216	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1OCC	408833184	WJFWOIMBPBTONE-GZZLJNBRSA-N	513.682	6.093	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)cc3)cs2)cc1	408839520	UDAHUURBHZVWQC-AABVJFSESA-N	721.431	8.638	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)ccc1I	408841504	JKZCFLXFLFNRNQ-IURWMYGYSA-N	637.469	6.919	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1	408850113	GEKOQOMNJCLFKC-OJYCWLPVSA-N	645.928	8.054	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccccc3Br)c2C)cc1	408851057	VJNRMUSUXSQNRE-UCMJSZAQSA-N	551.488	7.387	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc(Cl)cc1	408855788	FEWJKDVCMYYXLO-YBFXNURJSA-N	604.726	7.697	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408861120	NMCOFGBHEHAVPD-KCSSXMTESA-N	594.089	5.739	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408862316	FDRZDRBVBJHQDN-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408866610	HELJZENSTBAUSY-QSTZLLJYSA-N	520.265	6.067	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1Cc1cccc(F)c1	408874182	ABXQBEUJJQQHAJ-MFKUBSTISA-N	541.022	7.593	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1Br	408878512	BPRFWNFAXIVERD-LZYBPNLTSA-N	658.117	7.494	50	40	KKGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408881298	IUODVQMFKMJTMP-OCSSWDANSA-N	592.471	5.337	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2-n2cccc2)cc1	408884469	ZKNVALIWBFKJRO-OGLMXYFKSA-N	502.368	5.531	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12	408889036	AYWBHNDAYQXJIY-WKULSOCRSA-N	582.248	6.357	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Br)c(OC)c2)cc1	408889176	FIGZOGDOVGUOMZ-YBFXNURJSA-N	600.263	6.131	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1	408910029	ITFJXPKNAZLSHI-FDAWAROLSA-N	594.303	6.177	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)c(OC)c1	408924569	PHTCQLHGIKZGSX-RZNGARSMSA-N	685.959	5.410	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(C)c2)c(OC)c1	408938886	AMNBHNYMGODAGT-GDLZYMKVSA-N	728.609	5.072	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)c(OC)c1	408947896	BPAUPXPDLVUILU-SAPJXHNFSA-N	821.419	5.090	50	40	KKGB	
COc1ccccc1OCCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC	408970086	AEUBMVDPOAYLIL-KGENOOAVSA-N	537.410	5.147	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1sc2c(c1C#N)CCCC2	408993455	DCTXYPMKIGPGPA-KVSWJAHQSA-N	590.341	5.960	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)Cc2ccc(Br)cc2)cc1	409012846	LMEKURVOZFVFSC-BIZUNTBRSA-N	606.542	5.678	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1	409029521	ANPPZOWQFYNJKS-KMUKQRDJSA-N	570.476	7.950	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCC#N	409037095	SIQHBQAIPWZOLQ-MUFRIFMGSA-N	562.367	5.181	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409074195	KXAKJFAMSMRTLN-GZTJUZNOSA-N	519.362	6.132	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409219563	NWEDRAVMRVGMPO-WOJGMQOQSA-N	538.373	5.468	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1	409224745	MFIOZVYCZIMDCS-GZTJUZNOSA-N	544.822	6.609	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1	409226751	WKXVHFOARGLBRP-LICLKQGHSA-N	514.796	6.518	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1	409257322	OBLKFUAQOYHVSP-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409269860	AHYUVBBFASYZHQ-VYYCAZPPSA-N	622.257	5.234	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1OC	409310952	CVSTUMHYFKMLFF-QDTIIGTASA-N	596.703	6.615	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OC	409314477	STEBNLWGDWYGRQ-UHBFCERESA-N	541.000	5.577	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OC	409315394	VHCXNWBRAWEDEN-UHBFCERESA-N	540.016	5.236	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OCC	409317799	VVTQEXMTYAJIIZ-MNBJERMJSA-N	645.494	5.659	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OC	409332016	JEVVPEBUKSLSOL-LQNQUEJISA-N	582.451	5.203	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1OCC	409335766	XTELAQHILXPJFW-QQXSKIMKSA-N	552.409	5.206	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)ccc1OC	409336759	UPQLPNLKFKDRRL-QDTIIGTASA-N	507.801	6.397	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Br)cc1	409360330	DVARTFINYQFJGH-LSCVHKIXSA-N	543.211	6.592	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409366357	UPHSLTYVQZWQLO-DBFSUHOCSA-N	505.829	6.544	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409372765	JQCMBYAQDTXMBL-XAZZYMPDSA-N	588.285	7.269	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)[nH]c2c1	409389830	ASQVKABQKRKPQO-MFOYZWKCSA-N	616.253	6.590	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C#N)cccc2c1-c1ccccc1Cl	409394525	BODOFSLEJZBKMO-UHFFFAOYSA-N	662.327	7.768	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc(Cl)cc1Cl	409394691	DRINZZUMVTUFEM-UHFFFAOYSA-N	657.351	9.041	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409394859	GURUJGWYSYRFTL-UHFFFAOYSA-N	799.528	10.066	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395046	JFJAUUUYBUAHQF-UHFFFAOYSA-N	684.852	7.981	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccccc1	409395817	SCICJUFGQHLRRD-UHFFFAOYSA-N	509.565	6.971	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396450	QWHXESDNBASTIX-UHFFFAOYSA-N	674.890	9.196	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12	409398153	RGECULZAVOLPPG-UHFFFAOYSA-N	553.405	6.996	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)o2)cc1	409400492	DLAIESQPXMTRNC-RODHXAHZSA-N	622.936	8.569	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC	409407282	ZGUVBAGPXYZLHY-UHFFFAOYSA-N	552.425	5.810	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	575443503	MJVLLZVXFIQNQK-UVHMKAGCSA-N	514.807	5.501	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(OC)c1	1529546736	HBBSAYLMFIMZAM-HYCVJYALSA-N	638.746	5.312	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	1529548020	VSHQUTJTQXVTTE-MYEPVYPOSA-N	650.588	5.881	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(N(CC)CC)cc1OCc1ccc(Cl)c(Cl)c1	1529548876	ZATHTIBJHKVXSZ-YWVSXFKHSA-N	698.673	6.304	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1	2705733	YYXFIUBYUBHMIX-NDZAJKAJSA-N	514.651	5.506	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)n1-c1ccccc1	2741577	IIGUIDDADTVILY-ALQBTCKLSA-N	583.117	6.876	50	40	KKGB	
O=C(CC(=O)Nc1ccccc1)NN[C@@H](Sc1ccccc1)c1cc(/N=N/c2ccc(Br)cc2)ccc1O	5855024	BLPOTYOCUHPVBJ-OZWIOFLCSA-N	590.503	7.011	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1Cl	58913107	ZLROGUAXOCXZCX-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	59305314	KZUHLDUTIKYMOG-KCSSXMTESA-N	514.412	7.783	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1	59856384	ACACZNBJSREINR-VTNSRFBWSA-N	586.928	7.115	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl	59884763	OIZGSIBKCYLXDZ-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](C(=O)O)N2	97952148	CNUOJWXPQWZPJF-IBJLMRRHSA-N	530.046	5.360	50	40	KKGB	
Cc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccccc4Br)C(C#N)=C(N)O3)S2(=O)=O)c1	100032584	MOEBBLXBMUBNEJ-QHCPKHFHSA-N	534.435	5.284	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1	100042294	AALBYNUFVSZOJM-GHEWLKJUSA-N	530.005	5.542	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC(C)=O)c(OC)c3)nnc2-c2ccc(Cl)cc2)cc1	100851970	LCMNJXOZGXKHCZ-WCMJOSRZSA-N	610.092	5.171	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C2[C@@H]1c1ccc(OCc2ccccc2)cc1	102531605	DSNDTMVSGASXCQ-GDLZYMKVSA-N	556.087	7.560	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	102807564	RAPXOIWPEBFXBY-MUUNZHRXSA-N	591.564	7.625	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl	102810077	YGTZZGCBNXSEGR-MGBGTMOVSA-N	621.162	7.781	50	40	KKGB	
C[C@]12CCC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)COc3ccc(N(CCCl)CCCl)cc3)CC[C@H]12	104118655	MMEUDKGOHJDRKZ-UYFGLIGXSA-N	565.582	5.782	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	104699173	BAIJLNHXZWWRKZ-LPNNASDXSA-N	530.625	6.334	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc([N+](=O)[O-])c1	109109704	XPIBTTQRGQHCSS-KALUYTGESA-N	602.066	6.770	50	40	KKGB	
O=C(Nc1cccc2c(O)c(/N=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc(/N=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)c12)C(Cl)Cl	150391135	AKLRZBQCBHTKED-NFSGFYSESA-N	802.729	8.633	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	216062835	FCYLTAJJDMPKLJ-RWPZCVJISA-N	578.834	6.085	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	253531097	JWEOPRVXJUYGSP-NMRLTNCUSA-N	549.678	9.359	50	40	KKGB	biogenic
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C#N)cc2)c(C#N)c1C	408547589	ZGAVEIRQJOYZEA-UFFVCSGVSA-N	530.005	5.928	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)ccc4OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)cs2)cc1	408554661	SPLMPGVCBRHQDQ-HTVDVWKISA-N	709.453	8.713	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1	408580692	QWYMNNVSGKRTRE-VXLYETTFSA-N	517.648	7.817	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccccc1Cl	408582688	OXVDKAQEIVEURY-RGVLZGJSSA-N	575.830	7.004	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	408606701	AHHUMVWOVPSGQY-OKCVXOCRSA-N	544.435	5.849	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408647234	UUUXVFZSTBGLNV-TVFCKZIOSA-N	662.118	5.064	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1Cl	408652902	PCUIICVGLKWKBA-FFTGTZRRSA-N	663.577	5.665	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCc1cccc2ccccc12	408710801	LIGFVEVOTCFQNN-OKCVXOCRSA-N	568.386	6.325	50	40	KKGB	
CCCCCCCCN(CCCCCCCC)C(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)N(CCCCCCCC)CCCCCCCC)cc2)cc1	408720346	LJWKATILXOOZRN-UHFFFAOYSA-N	821.437	13.554	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408727967	GYJYWCIWYHHPLW-RUMWWMSVSA-N	607.088	5.968	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc2ccccc2c1	408745389	RIICFQNEVAQPLO-OYKKKHCWSA-N	527.418	7.044	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)NCc1ccccc1	408747222	KQVYAKXINIFBBE-GRSHGNNSSA-N	607.673	6.509	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408747580	PVVJGOWTLYPFRF-XKZIYDEJSA-N	592.287	7.498	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1	408750282	ZEPOFLCIRWCHGP-FJEPWZHXSA-N	598.291	6.725	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1	408752723	GIRJGHHLJBBDCO-OCSSWDANSA-N	512.509	5.319	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408754402	NELQKIUZYRERMY-JAIQZWGSSA-N	572.286	7.618	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1C	408764599	JMLAZGRXWXFGCJ-PXLXIMEGSA-N	560.532	7.668	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408785163	YHHGISOEMGLTHX-YBEGLDIGSA-N	582.367	5.678	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4cccc(Cl)c4)c(Br)c3)cc2)cc1	408821078	CBEPKIWZJGQHBG-MFKUBSTISA-N	587.901	8.115	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408822476	BWMQMEZUVNCDJT-SSDVNMTOSA-N	638.891	8.267	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccccc1Cl	408825478	APDAAXBIQYFSOW-DPNNOFEESA-N	656.986	6.420	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1cccc(C)c1	408829554	FYIVLOGFVRTHGH-OGLMXYFKSA-N	567.085	8.059	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	408834378	YLTJZTQHTCBFQG-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	408837484	GOBOTXDYZNAFDI-FMFFXOCNSA-N	621.115	5.102	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)cc2)cc1	408838221	CVNVDJAXDYVDHF-VTNSRFBWSA-N	651.311	6.456	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	408839618	USWYMLAMVOUERH-FDAWAROLSA-N	511.965	5.884	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1	408840660	HOMQNTQORTYUFR-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1cccc(C)c1	408842415	JXXSQATZRDOWSC-IZYHBKOJSA-N	676.036	9.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccccc1	408843783	NTJJIXHWCOWMBF-ROPCREHHSA-N	633.490	7.339	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc2ccccc12	408849951	BNLROIIYKIOJDG-KDHRXPGNSA-N	644.569	8.720	50	40	KKGB	
CCOc1ccc(NC(=O)N/N=C/c2cc(OCC)c(OCc3ccccc3Cl)cc2Br)cc1	408853382	OFCPUZHIAANDRQ-RWPZCVJISA-N	546.849	6.635	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)c(OC)c1	408865375	ANFUJMOYTDYZIL-DJKKODMXSA-N	604.270	6.170	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1Cc1ccccc1Cl	408870791	WUXKRGUBWBIDJF-VCHYOVAHSA-N	610.801	7.499	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1Cc1cc(C)cc(C)c1	408870819	XDERYZNOXRGEBZ-RGVLZGJSSA-N	540.376	6.192	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408872716	OTOSRVOMDZGYCV-LUOAPIJWSA-N	587.095	6.870	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Br)c1	408879184	CXEXKVOJAZULGJ-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408879797	FSEOWOTZXIKTLV-UXHLAJHPSA-N	623.485	5.282	50	40	KKGB	
COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1Cl	408880893	JHUYAIFXASAPCS-VZUCSPMQSA-N	519.020	6.381	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408887702	SNSRKYUCWWWTSD-LDADJPATSA-N	606.413	5.451	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	408922114	DFMOWLVHCFFACW-LICLKQGHSA-N	528.348	6.043	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(F)cc1	408926161	VQPIUXGTPJWGEW-RPPGKUMJSA-N	538.744	5.435	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccccc1F	408938963	ASOBQFUOPHFAEP-MHZLTWQESA-N	781.442	5.657	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408952535	WEWFLXHDRDZIHM-HHHXNRCGSA-N	657.627	5.291	50	40	KKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)c1C	408966091	JVQANGCFLRKIAJ-UVHMKAGCSA-N	543.259	6.692	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCCOc1ccccc1C	408970745	CZQHSVJPYUZPBD-HZHRSRAPSA-N	535.438	5.837	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl	408970834	KZGZHJQVVXEQKT-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1	408971159	NCWABXXJKOFRAS-NVJOKUIPSA-N	603.671	6.993	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408982990	JKFBLLUBWDQYTP-MFOYZWKCSA-N	689.118	7.636	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cc2)S(C)(=O)=O)cc1	409025338	UECUIAWJQWMLBE-BIZUNTBRSA-N	542.705	5.750	50	40	KKGB	
CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	409032587	CNKIOVIDVUNEHW-OKCVXOCRSA-N	535.069	7.077	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409047428	OOQWMOVDDODLJY-BRJLIKDPSA-N	592.200	5.300	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	409119156	RAHCBSMQFQBWKL-RUMWWMSVSA-N	652.514	5.279	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1cccc(Cl)c1	409121468	XDUWVLVNHFVLDT-MZFJOGFUSA-N	566.042	7.287	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409129148	IWDPXYLESFEMSV-XMMPIXPASA-N	544.454	6.094	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1)S(C)(=O)=O	409134371	OJRZTJFIDDNTLG-FADJLKOXSA-N	577.706	6.457	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1	409175234	ZFWYTHDDSZZUPR-KVSWJAHQSA-N	578.250	5.171	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc5ccccc45)c(OCC)c3)cc2c1	409188475	ZOVWDXLEFABNMP-MZFJOGFUSA-N	508.574	6.726	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nnc1-c1ccncc1	409192222	VTQRYWYTTXCPSR-VYYCAZPPSA-N	574.604	5.306	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409220286	WEUMFQDJBAWCEC-VCHYOVAHSA-N	565.380	5.238	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1	409224302	JWXGLRVTUWVUCD-KYHGBAKBSA-N	546.410	6.537	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409249183	GSKZVDDSQRBEFX-UUYOSTAYSA-N	609.464	6.097	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409256375	OMAUZJAUDCHZFZ-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409261511	COWZQOOMTPCSNI-NVJOKUIPSA-N	565.251	5.854	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl	409266782	RIZKWENZMAQILB-PPDIBHTLSA-N	535.225	5.846	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409269869	AKQVGRYGNRRTJR-YDZHTSKRSA-N	562.464	5.706	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cc(C)ccc2C)c1	409272743	RZXYLAWWBMQMID-QDTIIGTASA-N	589.284	5.618	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1OC	409312042	JBBVTBVNQWYEBR-RHANQZHGSA-N	539.426	5.764	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1OC	409324182	RLNXWFVQUBLHAD-MBTHVWNTSA-N	513.363	5.505	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409358160	KHLOAKSKAPVFQN-VPUKRXIYSA-N	663.137	6.510	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409362508	GYAJMTXBQLNBDW-UNOMPAQXSA-N	643.409	5.179	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409380499	FSIKICLVUQVLMQ-XJECJHNESA-N	691.007	7.760	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3OC)c(OC)c2)ccc1OCc1ccccc1	409380777	AMVQZNFCCRJJQG-KMUKQRDJSA-N	662.537	6.225	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1cccc(C(=O)O)c1	409387694	SHQWDFQFQFUGAV-ODLFYWEKSA-N	584.366	5.218	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccccc1F	409387983	SQUBYTLXLUKCNT-XDHOZWIPSA-N	552.400	5.859	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409396206	XBPHREAOAUEHQI-UHFFFAOYSA-N	538.947	6.380	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCC(=O)Nc4ccccc4F)c3)o2)cc1	409403894	OKLSHGUJZOKZNB-KMUKQRDJSA-N	580.616	6.187	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2[N+](=O)[O-])cc1	409406141	WBQQHCIIDHUYPJ-AEUUOICLSA-N	613.070	7.479	50	40	KKGB	
Oc1c(P(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c([C@H](O)c2ccccc2-c2ccccc2)ccc2ccccc12	675083000	WZGMVRFGSBNPPY-USYZEHPZSA-N	636.731	9.873	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc(C)c2)c(I)c1	1529545959	CFPNXQUSIRUKPF-DGJBIAEHSA-N	698.583	5.064	50	40	KKGB	
COc1ccc([C@H](N[S@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)cc1	1857795066	JSJZIHJKTOOMLL-WHMAPKLYSA-N	501.632	5.595	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	1302575	VCEPFXJSVLSAPT-VWLOTQADSA-N	550.471	6.095	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OC(=O)c1ccc(OC)cc1	1438755	AZOFXKBWFBABBM-YBFXNURJSA-N	565.376	5.319	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	1790718	RLEAIZCTDLUNNG-KCSSXMTESA-N	555.059	5.861	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)c1	2096722	OIQSZSJTICBYIT-FDAWAROLSA-N	522.634	5.284	50	40	KKGB	
N#C/C(=C/Nc1ccccc1I)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	2282635	HBNNOVVHYIUCNU-RAXLEYEMSA-N	542.314	5.406	50	40	KKGB	
Cc1cccc(NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)c1	3117128	SSWQEPSISYRHIF-UVHMKAGCSA-N	500.780	5.192	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12	3226652	ALMXTLZICFVIOY-KBVAKVRCSA-N	522.948	6.600	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	8766350	ODSYNINWQKOJEB-RPPGKUMJSA-N	502.448	6.425	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)NC2CCCCC2)cc(Br)c1OCCOc1ccccc1	8952483	FSRFFPGEDKDVQG-YZSQISJMSA-N	504.425	5.271	50	40	KKGB	
O=C(N/N=C(\c1ccccc1)c1ccc(-c2ccccc2)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1	9553306	BBEGJQILSACOCF-PKUSAGTQSA-N	518.620	7.389	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	12250356	WRFNDGPPSAZCTQ-HHHXNRCGSA-N	526.662	6.220	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc2ccccc12	14151832	DEBOYPWMTFFKGZ-HZHRSRAPSA-N	519.626	6.785	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	20347786	CDNDUFMTOYFENL-VWLOTQADSA-N	519.026	5.948	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1cccc(Cl)c1Cl	58913068	UVYSPBMXBBETJE-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1	59960656	NWUVCQZONHAILV-OCSSWDANSA-N	500.986	5.415	50	40	KKGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1	97946819	XRPNAGMLNRGIGU-BRPDVVIDSA-N	588.664	5.790	50	40	KKGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br)c1ccc(Br)cc1	98002578	PVVCDWOUSYOVLR-RAWMCFOBSA-N	659.954	6.720	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	100134095	SJPHIPRGUZIFKO-FRKPEAEDSA-N	536.640	7.534	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl	100226615	SRYNHDGAAZQLEU-ODLFYWEKSA-N	550.223	7.640	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	100229073	SQPDIZYABMVPOH-HEDSQIJBSA-N	570.325	7.220	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1c(Cl)cccc1Cl	100403802	PXTLTPPIOYGYOK-JFLMPSFJSA-N	569.308	5.140	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1	100854614	UOMZOTIQVZRMTK-OCSSWDANSA-N	534.085	6.508	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3ccccc3nc2-c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccccc1F	100986191	ZHRZILJABSGFQG-RUZDIDTESA-N	538.604	5.853	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@@H](O)c1ccc([N+](=O)[O-])cc1	101510096	IDWDXHQLOMJDRU-VPUSJEBWSA-N	589.601	7.721	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	103888827	JYGFMFXXUJHQRF-PXNMLYILSA-N	615.138	8.586	50	40	KKGB	
CCCCCCCCCCNC(=S)NNC(=O)CCCC(=O)NNC(=S)NCCCCCCCCCC	104082009	FEINGRVBHYVNIW-UHFFFAOYSA-N	558.903	5.429	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc(Cl)cc1)=N\NC(=O)c1cc(Cl)ccc1O	104315641	HVQNQLQFOVNERJ-ADZZFNIUSA-N	548.434	6.517	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)c4cccnc4)(c4ccccc43)[C@@H]2C1=O	104364613	SCEJZDARMPRAIL-HBKHLPLRSA-N	547.014	5.010	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)CC)CC[C@]4(C)[C@@H]3CC[C@]12C	253499397	GBVDXIUBLNGDMK-NJAIVMCUSA-N	535.651	9.401	50	40	KKGB	biogenic
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2OCC)ccc1OCc1ccccc1	408537426	FAFMCDFKWYQOBX-RHANQZHGSA-N	611.138	8.458	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	408540053	MIBBADBSIOEZMT-HWIUFGAZSA-N	553.099	7.439	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542241	IKVQJHUZFUXFHZ-XYGWBWBKSA-N	520.551	6.983	50	40	KKGB	
N#C/C(=C\c1cccn1-c1ccc(I)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551885	GTIZVFZCHWOFHC-NTCAYCPXSA-N	524.387	5.440	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cccc2ccccc12	408567974	RDJBJAZXAQKWHL-NUJZUDFISA-N	711.135	7.154	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)Sc1nc2ccccc2[nH]1	408599305	SFOXSAZMYCFCMX-UDWIEESQSA-N	685.328	8.161	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1	408609465	RLWQEGNRACYUEC-OAHLLOKOSA-N	504.801	5.722	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408649520	LCPPCROOCAJJHR-VZJUQIMDSA-N	742.333	5.313	50	40	KKGB	
O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1	408666549	VCMOJBKFLZPGMH-KNTTZULJSA-N	617.312	5.657	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nn2-c2cccc(C)c2)cc1	408724146	GKBILPGMTYSDRX-QNKGDIEWSA-N	500.602	6.499	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1	408743943	IMHNVZBFLSYFKZ-LSCVHKIXSA-N	570.237	6.373	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408744590	MFAYSMLBFHUHKF-ZDLGFXPLSA-N	665.225	6.237	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)c1	408745023	JDINLMONTOSTNK-QRVIBDJDSA-N	653.314	7.730	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1Br	408753464	IXWWNPVBCAPPLU-CAOOACKPSA-N	514.173	5.836	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OCc1cccc2ccccc12	408760118	RWZCRSJPHDAMKV-BKUYFWCQSA-N	686.287	7.182	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408779818	LGDLTYYYNSTVFE-JLPGSUDCSA-N	517.854	8.153	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1	408787853	GYWBMDRQMXQWDP-SRZZPIQSSA-N	657.733	8.293	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)c(C)c1	408789010	HBWVNPQVEMOZKK-UDWIEESQSA-N	526.349	6.172	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408790451	ROYJZYZUOIJOEQ-MFOYZWKCSA-N	564.238	7.418	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cccc(Cl)c1	408800674	QNJPVTKRORWCOU-CAOOACKPSA-N	627.693	7.775	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc2c(c1)OCO2	408809763	IQTOMHOZDAGFAU-KDHRXPGNSA-N	613.714	7.652	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408827312	GNYVDAXWRVLUJM-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408837865	AHDBRYVTZYQUID-JAVCYFNSSA-N	802.899	9.982	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408843611	MKUHBQYKJVRWLT-KIBLKLHPSA-N	581.673	6.689	50	40	KKGB	
Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1	408846468	JXPAMMGDTUJMII-CAQPMQTCSA-N	539.705	7.059	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccc(C)cc2)cc1Br	408861216	AAYQHFCUJQTKJE-UHFFFAOYSA-N	564.546	5.670	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccc(C)c(C)c2)cc1	408869027	QTARCBLXCXYENQ-STBIYBPSSA-N	546.605	5.126	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1Cc1cccc(F)c1	408873639	UGTYTVNYXAJOOV-QGMBQPNBSA-N	560.794	6.537	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	408881261	KJOPHGCTRAPBRX-GZTJUZNOSA-N	530.205	6.829	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccccc1F	408885613	CVKVNZAXOMTDPT-WOJGMQOQSA-N	560.338	6.093	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(C)cc1	408892532	CEMOYNUFIXYBSP-RGVLZGJSSA-N	568.367	5.431	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1	408899132	ZJYUHTXZEVPTSO-LDADJPATSA-N	541.969	5.269	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)ccc1Br	408905531	YVCBVTLRRJJCLO-ROTLSHHCSA-N	562.218	6.163	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C	408921446	AWJDSNZYYDAOLV-VXLYETTFSA-N	526.376	6.733	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)c(OC)c1	408924567	PHTCQLHGIKZGSX-MOEPSENCSA-N	685.959	5.410	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408947714	CZKWCKAGEGOPEL-XKZIYDEJSA-N	589.446	6.082	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1cccc(C(=O)O)c1	408963337	NETADUGVURUYCM-KKMKTNMSSA-N	568.336	5.153	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(C(=O)O)c1	408967592	RDJFOMYMBVWYKL-XKJRVUDJSA-N	506.864	5.409	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408973399	YULIDTPVPFFGCK-XJUVKUJYSA-N	583.310	5.216	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)O	408973792	VFANUWBMTVTOPC-ORWQVPHASA-N	681.367	5.263	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4cccc(Cl)c4C)cc3[N+](=O)[O-])sc2c1	408988999	GJYKKCKCJKRCGV-KGENOOAVSA-N	640.146	8.424	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)cc(OC)c1OC	408998603	BKXSYCZUOVTOKX-DPNNOFEESA-N	632.467	5.710	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1	409000672	ZLFXJGLAEOABRH-KCSSXMTESA-N	586.442	6.002	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12	409012489	IKHNDUSNPORRCM-PLPFRTNQSA-N	530.452	5.604	50	40	KKGB	
COc1ccc(/C=C/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1	409017949	GOQWFXKWBFHUIW-NBDWYDOMSA-N	525.140	5.238	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OC)c1O	409020752	SUOIOQMUSVFALX-AUEPDCJTSA-N	555.166	5.007	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	409027985	WSENBNSRGSGNII-CVKSISIWSA-N	510.830	5.383	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)ccc4OCc4ccccc4Cl)cc3)cs2)cc1	409033928	GMJQOIKQWUWKSU-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409034062	NBKSFZJQRUJVKT-ATZGPIRCSA-N	617.956	8.313	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)C(=O)Nc1ccc(F)cc1	409039672	CXSUQBIKKAANQQ-CXUHLZMHSA-N	564.636	7.129	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1)c1nc2ccccc2o1	409045995	HTBVKGKIDZPGQE-LZYBPNLTSA-N	544.630	7.649	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1	409050097	YUFWHWGBSNMQNC-LZYBPNLTSA-N	598.188	7.494	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	409092918	WUIGSGUFOPOIBM-NTUHNPAUSA-N	556.711	7.912	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409120793	UDQGHFYWJQHKKN-VTNSRFBWSA-N	624.119	5.627	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1	409133364	SSJBIRAYAFXZHQ-YPXUMCKCSA-N	515.293	7.091	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)cc2c1	409183413	CDKFSABYUTZLGP-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
O=C(COc1ccccc1Cl)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409184795	NQEVLNNOJPGPFL-ZRGSRPPYSA-N	552.650	5.973	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c2)cc1OCC	409219192	NUQPUXLUUOKGKF-UHFFFAOYSA-N	586.044	6.373	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2cccc3ccccc23)cccc1[N+](=O)[O-]	409219606	SBWSXCPARRWRAO-MBTHVWNTSA-N	503.898	5.393	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	409223172	FJBCXQDEBKMCPS-LMTOVYBFSA-N	596.086	6.389	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc(OC)c1OC	409226231	PZAUWXKAISDLCV-UHFFFAOYSA-N	780.253	7.780	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409233811	HRFMDPMWXJJZKV-AIRTYWKNSA-N	597.409	5.961	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409235821	CATFEEOSJIOEQE-XKZIYDEJSA-N	635.329	7.232	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)n1	409242492	VHPHCHAREIXVMJ-RWPZCVJISA-N	546.678	5.803	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)n1	409244476	DFBFYNJHYSQXKJ-OPEKNORGSA-N	519.852	5.331	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(Br)cc1	409245743	YLSBRVSJOGYEPS-ULJHMMPZSA-N	519.439	6.083	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1	409249325	KDUUMXKJQRUMEZ-ZDLGFXPLSA-N	531.328	6.601	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409250467	LYJQQPKHDXOKHH-UDWIEESQSA-N	519.985	5.624	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409254411	ZBSAFHJSADBPBF-BKUYFWCQSA-N	578.463	6.036	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)cc1	409260279	NWOMIMVZJQTSIK-OCSSWDANSA-N	549.456	6.285	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409263672	MBHWURRLIGSMKT-GRSHGNNSSA-N	568.855	6.291	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccccc1)Nc1ccccc1Cl	409265474	STPLZXZHKMOXLX-ZRGSRPPYSA-N	565.649	5.646	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409266514	XPBXVSYXHBJDDU-RGVLZGJSSA-N	583.382	5.907	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)c1	409267037	RQNLGZXCIPFCRU-NHDPSOOVSA-N	611.334	7.008	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409273349	XNILSPSHFPBTDX-KEBDBYFISA-N	568.855	5.660	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC	409302575	JLJOHIDWJHILDJ-MXAYSNPKSA-N	559.329	5.229	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	409303109	LNFDNCGNVZKNSN-BVMLUPFRSA-N	572.445	5.665	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OCC	409304874	SNOYPLVKMWLJEC-FDVSRXAVSA-N	530.408	5.572	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1	409318343	VTURGDOZYFLVQM-HQDYHJHZSA-N	623.931	7.432	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCc3ccc(Br)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409322190	KYHDPZBTJOHILH-RBUKOAKNSA-N	570.292	5.826	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1	409324263	RTETVQYMJSLFMJ-SFHVURJKSA-N	563.315	5.793	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccccc1Cl	409372301	DDXFKCOECUCOKQ-WOJGMQOQSA-N	555.803	6.863	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	409388895	XRDDTJDMQGLNNC-BOPFTXTBSA-N	570.827	5.683	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395852	SLEZCPKLMOQZDW-UHFFFAOYSA-N	617.843	7.142	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409396408	YDQYGMWAJJDADY-UHFFFAOYSA-N	674.935	7.476	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409396646	ZQROQBXCAUEELV-UHFFFAOYSA-N	754.184	9.669	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397103	GFOVPRDGMZPUQO-UHFFFAOYSA-N	688.133	6.913	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(F)cc1	409399746	LHISSDHRTMHCJM-VHFSBPNMSA-N	646.513	7.519	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)o2)cc1	409400072	BHXGHTIMXPRQGK-RODHXAHZSA-N	850.289	8.581	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)Nc1ccc(C)cc1	409400576	DPUHBGCEZPZLBH-UUSDDZCZSA-N	734.047	8.171	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)o2)cc1	409402677	KMNZFSNOVHGWBX-DBSPGSINSA-N	614.658	7.670	50	40	KKGB	
CCCCCCCCCCCCCCCCCCOC(=O)[C@H](Cc1ccc(OC(=O)CBr)cc1)NC(=O)CCc1ccc(OC(=O)CBr)cc1	2060989266	BVELMAOQGPSNRO-BHVANESWSA-N	823.704	9.752	50	40	KKGB	
CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(Br)c(Br)s2)cc1	2889937	SJRRNGPSSQLIOV-UKTHLTGXSA-N	512.223	5.316	50	40	KKGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1	4018580	FCSFCGHHMZLJJD-UVHMKAGCSA-N	607.242	5.419	50	40	KKGB	
O=C(O)c1cccc2c1N[C@H](c1ccccc1Br)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21	6445648	WHONIVQSYJOJLV-MJZWAZDZSA-N	559.869	7.094	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@H]1c1ccccc1Cl	20028764	CGPSJFPBZBFJEB-RUZDIDTESA-N	526.058	5.214	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(CN2CCc3ccccc3C2)cc1	23382927	URHVEZABMNXTLY-WCMJOSRZSA-N	504.417	6.576	50	40	KKGB	
Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)ccc1OCCC(C)C	26687616	DSYZRQGQJCGFNP-MOHJPFBDSA-N	504.659	7.947	50	40	KKGB	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1	97982723	PYDDTIPMTCTJFM-XSFVSMFZSA-N	565.051	5.405	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC(C)=C2C(=O)Nc2ccccc2)cc1	97999511	ZWNNNADJUMMQPE-NDEPHWFRSA-N	603.542	6.554	50	40	KKGB	
N#CC1=C(SCc2ccccc2)N[C@@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl	100090657	JDQCXFCAPNRVGF-IMSXRSKXSA-N	535.012	6.507	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	100366523	CNHZPLFYOWVVQE-RWPZCVJISA-N	587.883	5.005	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)[C@H](O)c1ccccc1	100451226	IUXZTFYAXUTQET-KBHBMEFTSA-N	559.651	5.939	50	40	KKGB	
CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(=O)OCC)c1C	101060397	FWDWFALMYKFYQK-RVDMUPIBSA-N	512.569	5.418	50	40	KKGB	
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	102753509	FRTGRUXYMUCSLR-AREMUKBSSA-N	568.537	6.592	50	40	KKGB	
CCN(CC)c1ccc(/N=N\c2nc(Cl)c(/C=C3/C(=O)c4ccccc4C3=C(C#N)C#N)s2)c(NC(C)=O)c1	104272601	QNVMQOMOPBFLOI-XCIWVIMTSA-N	556.051	7.097	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1	150349621	KXZQVDDJXFTAGM-ZYVHIHPKSA-N	692.479	5.050	50	40	KKGB	
N#Cc1ccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3Cl)CCCN2Cc2ccc(N(CCCl)CCCl)cc2Cl)cc1	150373371	ZRTSYPARENPXAD-UHFFFAOYSA-N	716.412	8.840	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1	150386678	XIVBGHSFALTLPK-DMWKKASYSA-N	668.386	6.682	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1C1N(Cc2ccc(Cl)cc2Cl)CCCN1Cc1ccc(Cl)cc1Cl	150487487	KGYLSCWNEQMRAL-UHFFFAOYSA-N	634.306	9.299	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	150551033	AGKROIVMUDUHCH-FJEPWZHXSA-N	725.162	7.083	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCC[C@@H](I)CC(F)(F)F	169795393	DTGLJFKPCBHNBK-OKILXGFUSA-N	586.180	8.399	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(I)cc1	408545124	ZDSKQCLOLNJJCF-JAIQZWGSSA-N	651.238	6.636	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(F)cc1	408552733	UYTHXPSPJRKWKL-OYKKKHCWSA-N	502.383	7.783	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC	408566878	BFPKLSMDZIZNDX-ZMOGYAJESA-N	523.474	5.030	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1	408570796	YQYAYRVIKGXFIF-FDAWAROLSA-N	528.699	6.735	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408581557	XXIPOBPIEZOPSA-GIDUJCDVSA-N	605.086	8.557	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccc2ccccc2c1	408598496	BOMWHLWJPVZWPV-MUFRIFMGSA-N	529.381	6.211	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N2C(=N1)SC(C#N)=C2N	408606230	PGDMTLPZSUWSLR-HXUWFJFHSA-N	513.417	5.437	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408608786	PRJBWACEBAAEAE-LJQANCHMSA-N	528.436	5.776	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408613127	ZJPMILWFZMPACU-GOSISDBHSA-N	514.409	5.467	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408643569	GFXHWNAXMQYAGA-WGXFHILCSA-N	804.242	5.595	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408644090	GVGPNUUNVKDBFP-LKNXBEMVSA-N	709.621	6.148	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408650682	MRBAFUJEDQQOGF-BWIARNEUSA-N	622.741	5.055	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408653857	PZUWAVHPEBAZDM-SAIKNWJPSA-N	643.159	5.320	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c3ccccc3Cl)cc2)cc1	408666153	GGPBPAMWWCVQPD-UHFFFAOYSA-N	566.054	5.543	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408682981	MCFCQWDLJXWHFA-NLXTZRDGSA-N	566.677	5.183	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=C(/C#N)Cn2cnc3ccccc32)cc1I	408691619	IPBFIYYHCUIYFU-CHHVJCJISA-N	569.184	5.640	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1	408744712	GPLBMYYRSJOLHO-IUXPMGMMSA-N	536.242	7.824	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCc1cccc2ccccc12	408748927	JDQDLAVOEKRHKW-WKULSOCRSA-N	615.265	6.558	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1Cl	408788648	FBWBCUDXALSGFV-KGENOOAVSA-N	517.810	7.380	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1cccc(C)c1	408789733	KOTREDYLRXJQMT-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(I)cc1	408796460	YFORZYNXCVESAC-XDHOZWIPSA-N	603.254	6.577	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Br)cc1	408796713	YXGSOVKJCJTLOP-YZSQISJMSA-N	553.456	7.461	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408809649	IKQHOJRUFHYWSW-YVLHZVERSA-N	573.318	5.472	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1Cl	408819205	YOGPZOYFZGEXQT-DEDYPNTBSA-N	521.831	8.233	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1	408819299	PVCHJRRHAGKEJK-GRSHGNNSSA-N	593.248	6.409	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408823776	OVUPXYOHIBINRN-STBIYBPSSA-N	581.112	8.368	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OCc2ccc(C)cc2)c1	408836446	RGZPZSGFMAMBOX-MTDXEUNCSA-N	518.613	7.016	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838397	FFARAIAIPKIEAR-WKULSOCRSA-N	543.992	7.139	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408839785	AIDINZYEACFRSR-QNVXDBMFSA-N	639.497	8.093	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccccc1	408840670	ZTPLHAIKVPLWCM-MWBNBJEGSA-N	662.009	8.711	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408845407	GQKATXLXFQPRFX-UYRXBGFRSA-N	532.449	5.409	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccccc1F	408845906	NLTIFHNALMNNTP-MNDYBZJGSA-N	537.385	6.414	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)c(Br)cc1OCc1ccccc1Cl	408850217	IINWQOAHLQUWHD-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408857749	MEOAGKIUNQRIBE-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408860441	VQOJWXMYCFKKOR-DPNNOFEESA-N	593.149	6.027	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408862351	FHRIGWRUJJONMY-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1Cc1ccccc1F	408864957	ASKXTOUTCFCCPQ-RQZCQDPDSA-N	548.239	7.430	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccc(C)cc2)cc1	408877788	UNJHDGHJBVVYJY-RUMWWMSVSA-N	557.672	5.318	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccccc1Br	408890550	VNFXKSDBQAFBHD-BUVRLJJBSA-N	648.351	7.924	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1C	408893070	FFHJTQLGIKTQSR-RGVLZGJSSA-N	566.408	6.198	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C)c1	408912822	RNMVTJVXCMPUSG-VTNSRFBWSA-N	522.476	7.095	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl	408921475	AYUPAEWAWDKBDG-WOJGMQOQSA-N	512.349	6.343	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1	408972024	OEUCPXALBQALNF-PARITGQJSA-N	563.279	5.401	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)c2ccccc2)cc1	408979636	NNRDYPZISVONJT-BQBNFOSNSA-N	552.656	5.006	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1Cl	408984447	REVUWHGJGSLXIT-GRSHGNNSSA-N	560.275	7.588	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(I)cc1	408987227	FELHQNDTUSYZEX-MTJSOVHGSA-N	647.738	7.869	50	40	KKGB	
CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409018042	XEKQYJNMVLRCOR-DNTJNYDQSA-N	505.004	5.023	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409034831	ONRVLBMEQXTZKD-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)C(=O)NCc1ccccc1	409041450	ACIUWCKYMXZVSL-VXLYETTFSA-N	544.218	6.153	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OC	409041776	VPKSZZRWAFOSNV-MZJWZYIUSA-N	537.439	6.097	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)OCO3	409083498	BDEKMQIFPCLDOV-HSZRJFAPSA-N	501.753	6.173	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)C2=C1CC(C)(C)CC2=O	409132607	KGUFHURODYXRNG-VWLOTQADSA-N	554.460	5.550	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2cccc(Cl)c2)cc1	409148604	ZSNLSPBESZOYNG-LGJNPRDNSA-N	526.829	5.001	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409163204	NNRJWRCLULTVSN-XKJRVUDJSA-N	655.276	5.021	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)o2)c(Br)c1	409221660	ULOJFUZDFISVJV-NUGSKGIGSA-N	557.036	6.012	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409222523	DONOYJNZWOBWHQ-UDWIEESQSA-N	538.431	6.572	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccco2)cc1	409223938	HTEKJOKEHUSYOD-BCZPCKOGSA-N	558.934	5.476	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]23)c1	409224095	KGMOBHQAIRSNRQ-MDBGQWPFSA-N	576.052	5.624	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409224960	MVCIPXIEKWVBPI-FSXDBWDKSA-N	725.777	7.229	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409227376	YBJBAXTVMXIBGE-AQISJEJMSA-N	567.985	5.704	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409229441	OZQVBANOJBUKAM-SXGWCWSVSA-N	639.343	6.021	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1Cl	409249066	IHUSPQIDTAUCIU-VYYCAZPPSA-N	530.806	5.283	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)cc1Cl	409251425	PPAHVMJMHNSTSU-RGVLZGJSSA-N	538.829	5.652	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409256483	LOICUUWYXOXWCF-MUXKCCDJSA-N	636.284	5.542	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409259360	YRTUWVUHMNTCKX-MTJSOVHGSA-N	503.986	5.837	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1OCC	409320121	PEGAULPTEVXYCH-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1	409324125	SGXLZQKLYSUHPG-WOJBJXKFSA-N	632.842	5.240	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC	409325545	ZVONIZWAVNSHLK-VYYCAZPPSA-N	556.915	5.295	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1OCc1ccccc1	409337074	WMBDAJTZXKLDGP-KYHGBAKBSA-N	576.005	6.187	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409371264	DSVPQWDWVJAWOS-ZDLGFXPLSA-N	540.345	5.977	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372069	RMXBVAMGZODPNM-IUXPMGMMSA-N	548.618	7.416	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1cccc(F)c1	409374540	SERNUKUQYQGXKF-GRSHGNNSSA-N	553.375	6.657	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccccc1Cl	409395259	LRCXXQJIFPXHNI-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396587	YAYCSUZKXNNMBS-UHFFFAOYSA-N	598.055	6.887	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409396596	ZFSYRRKQHNAYOR-UHFFFAOYSA-N	645.351	7.905	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)[nH]c12	409397011	DZNOTVNZSCQCMH-UHFFFAOYSA-N	533.584	6.144	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4cccc(F)c4)c([N+](=O)[O-])c3)o2)cc1	409405263	SLOSRKDYIADDLC-RODHXAHZSA-N	660.058	6.748	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)Nc1ccc(C)cc1	409407358	ZMPVLSZMGBNTNZ-CLHYIUPASA-N	636.705	6.373	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(Br)c1	1529546002	CIUSNOZOVGYSPY-DMFIQNIRSA-N	730.479	5.984	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	1257716	ZHBFCMJKLUNTIA-MHZLTWQESA-N	544.080	6.058	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CC[C@@H](C)C2	1791674	WDQNSGVFEHEUOF-XDPMZMSMSA-N	529.445	7.162	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccccc1Br	3113335	YPGJRZLZPGODRK-NDZAJKAJSA-N	529.390	5.055	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196260	HOBSTSUQCWWBPV-FRKPEAEDSA-N	566.666	7.543	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2nccs2)N1	6444290	MNRIBXHTGGSGNA-OAQYLSRUSA-N	507.666	5.220	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1cccc2ccccc12	13661449	PZAOBVINVYEFCD-FDAWAROLSA-N	513.022	5.825	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1Br	59646397	HLXUZKRIFBTHTN-CMCQIJKVSA-N	537.483	5.053	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1)Nc1ccccc1F	59646718	YQMUERAJENMZEY-ALQBTCKLSA-N	536.607	5.165	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)N/N=C/c2cc(Br)c(OCC=C)c(OC)c2)cc1OC	97944535	PLHDAHJULPQKAZ-VVCLLGATSA-N	596.276	5.026	50	40	KKGB	
Cc1ccc2cc(/C=N/NC(=O)COc3ccc(-c4cc(-c5ccccc5)c5cc(Br)ccc5n4)cc3)c(Cl)nc2c1	97962738	JYVBHIZSTOGJCM-SAEPALGJSA-N	635.949	8.370	50	40	KKGB	
COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc1	97980810	DIKVVMXIJQCIMQ-XICOUIIWSA-N	550.655	6.693	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)Cc2ccccc2)cc1	100129173	CRUVPSJKLSIZOF-HQDYHJHZSA-N	582.648	5.763	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)Cc2ccccc2)cc1	100129235	HYLMWPRUONNDFX-MNBJERMJSA-N	549.096	5.397	50	40	KKGB	
CCCc1c(/C=N/NC(=O)c2sc3nc(C)cc(COC)c3c2-n2cccc2)c(OC)c2c(c1OC)OCO2	100251890	BJWKQKWKROIQJD-VFLNYLIXSA-N	550.637	5.004	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)[C@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1	100848530	XQMPEJJIHNHPOZ-JVPBZIDWSA-N	552.101	5.488	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl	101042385	SDERZFJZFFMTCX-QHCPKHFHSA-N	566.894	5.904	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1	102512684	WVFPBCISKAFBSS-FDBFMKMFSA-N	564.465	6.451	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)c(OC)c1	102808557	RKIJYJGDVKFYCD-NDEPHWFRSA-N	575.090	6.064	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3OC)=C(C)N2)c1	102809983	QJZZQEYSGFXLQM-NDEPHWFRSA-N	575.090	6.064	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889501	NKDAJUIFDLBEPC-PXNMLYILSA-N	580.649	7.232	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	103889609	LUHWECDCXMLEKZ-NVNXTCNLSA-N	571.085	8.187	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2cccc(Br)c2)cc1	103895920	YPIDZXYYYUMBQW-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1F	105475632	KJGWFGRCKZGMGT-KCSSXMTESA-N	563.423	5.562	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1ccccc1Br	106953474	HFFSTCYQSZTNEM-CCVNUDIWSA-N	501.384	5.120	50	40	KKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccccc1I	108209486	RQSCFWBERJFNPU-BENRWUELSA-N	509.130	6.404	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12	150420253	XTPBNHBSTVYWLF-WRUAYDCFSA-N	625.468	5.797	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Br)o1)c1cc2cc(Br)cc(Br)c2o1	209525726	NYSRASRSYPDFHE-PTXOJBNSSA-N	569.829	5.840	50	40	KKGB	
C[C@H](CCC(=O)N/N=C/c1ccccc1O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	245241372	BXTRCTCQZGWSNF-DAJOTACUSA-N	510.719	5.249	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1	408538965	SBQYTRSRTHLDBC-LFVJCYFKSA-N	603.900	7.815	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	408541349	AMKKNJCLTCEFOG-HYARGMPZSA-N	538.608	6.016	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408542064	JVDHUONCAALZGL-LSCVHKIXSA-N	637.257	6.820	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)O)c1	408543306	OSWHDYJRALFKHM-ZDLGFXPLSA-N	522.311	5.180	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408569336	NGXYBWBZABUAEQ-DPNNOFEESA-N	593.170	7.479	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408607081	MYSFUWZRVJZDDE-KRWDZBQOSA-N	532.399	5.606	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408647872	VXCMEYWUXGEDTM-YVSFHVDLSA-N	686.011	6.462	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	408710694	FWQQPZOVGHLNSY-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408725686	MQPNEMCNFSGNLB-ZDLGFXPLSA-N	614.352	5.631	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(C)n(-c2ccc(I)cc2)c1C	408742900	TZWXAFPGXJOCIJ-KEBDBYFISA-N	517.374	5.707	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408745010	IZSLCQMMTXQSJO-WQRHYEAKSA-N	558.347	5.572	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1cccc(F)c1	408745803	VRTPNNPIHVGJSZ-GRSHGNNSSA-N	542.348	5.872	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)c1	408753168	DWUAYBOCJGYFGV-LICLKQGHSA-N	606.292	5.842	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408753609	GVJYGKOHEHIASF-STZFKDTASA-N	518.367	6.210	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccccc1F	408753626	GXKSWFLGQJUVGN-ZDLGFXPLSA-N	621.244	6.716	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408758490	KZNHGLXULJNBLF-WOJGMQOQSA-N	586.420	5.378	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408774433	WXLGOKTZOBNLES-WQRHYEAKSA-N	558.759	5.767	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1ccc(F)cc1	408783519	MNTAXPRKNZRTSJ-GATIEOLUSA-N	523.200	5.287	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408789839	RYEBPXMTVQXTAW-WSDLNYQXSA-N	504.970	6.178	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1	408790850	RMCOZRCJVAHQAS-YBFXNURJSA-N	529.807	6.948	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c(C)c1	408791837	DFZJFSOKCVPUTI-YDZHTSKRSA-N	501.413	7.888	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408796836	QFARONGHGYZOPY-BUVRLJJBSA-N	559.449	7.706	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(O)cc1	408797406	RNCBLJNZCYZGHY-LICLKQGHSA-N	541.301	5.030	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc(C)c1	408798313	WARPWGBKMFYGMS-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(I)c1OCc1ccc(Br)cc1	408800007	MRIBPCVUOCELIL-LNUOPCRJSA-N	623.329	6.633	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408810380	IUUFGWAMCUZJMN-VYYCAZPPSA-N	585.354	5.687	50	40	KKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Br	408820974	BAGUWKQIOACNTH-XDHOZWIPSA-N	560.275	7.669	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408823057	DITASDUFZLANNU-YDZHTSKRSA-N	778.268	9.463	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OCC	408837160	ZLFBWZBFKCLONH-HZHRSRAPSA-N	549.465	7.070	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2cccc(Cl)c2C)cc1	408837673	KZOJNRXPABAVFO-IBBHUPRXSA-N	590.916	6.869	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408839057	MFDONWVVISZUOR-ATZGPIRCSA-N	625.306	6.920	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)OC	408848313	VSRGXWUNRUDBIN-IBBHUPRXSA-N	670.529	6.181	50	40	KKGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408849570	ZIIRAAKFDUVTOR-KVSWJAHQSA-N	632.867	6.039	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N	408850894	FQYPBGDPQAEZGB-UBVWXKOKSA-N	524.831	6.054	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(F)cc1	408853842	YEXXMXFGHMWVHR-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(C)C)cc2)cc1	408861577	DBOJGYXQKDANFV-QXUDOOCXSA-N	590.145	6.843	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408873301	SKRFBOXSDLERBT-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)c(OC)c1	408874810	DEMNJCLFPWIIMP-AWQFTUOYSA-N	510.949	5.307	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1cc(C)cc(C)c1	408879419	DIWHEWPFNNSOJQ-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408892019	XHRGTHYSDSRORM-WOJGMQOQSA-N	575.868	6.041	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408897760	SZHGZZATPVDWKX-YBFXNURJSA-N	515.824	7.479	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(OCC)c1	408914748	XJTSUMFREZQNCL-VNXYKSSOSA-N	539.632	5.625	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OCc1ccc(F)cc1	408926318	WZZIIZHSKHXAMR-KKMKTNMSSA-N	516.019	5.919	50	40	KKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	408948925	HKTRTBJOKQEMRW-QNGOZBTKSA-N	505.553	5.166	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408956557	RFPVIHVQBSGOFN-KVNFINCSSA-N	775.407	5.428	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]12	408957204	SSXVUQFKNBRYGL-FOHIHYPXSA-N	576.052	5.624	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408958592	ZIFCTOBETNBOJF-ILBQVMEMSA-N	710.398	6.608	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1cccc(C(F)(F)F)c1	408963067	MEPHKNLFCLRFDW-KVSWJAHQSA-N	511.725	6.464	50	40	KKGB	
C=CCOc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408972706	QUPLLDYPFGPAPY-TWPZUGSMSA-N	536.456	5.015	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(I)cc1	408985130	VPMVWSQIILXSFZ-GRSHGNNSSA-N	651.726	7.539	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc2c(c1)OCO2	408992885	UWQTXBNTJCEGRM-JJFYIABZSA-N	516.981	6.239	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	408999831	XTXRCAGBJGBHRV-WKIKZPBSSA-N	511.445	5.198	50	40	KKGB	
C#CCOc1c(CC=C)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OCC	409010028	DAYBPHUFHJUQBI-MZJWZYIUSA-N	607.242	5.703	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	409024660	MMJXFQSWERQGDW-NDZAJKAJSA-N	534.037	5.265	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12	409034877	ORROMLQAOORPSX-KVAAJVFYSA-N	694.221	8.532	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	409042204	WSHAAPVLVRIRBJ-KVAAJVFYSA-N	647.982	8.321	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409047013	SYMVJGHFCCSGRK-DLCNMLRHSA-N	741.221	8.374	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409053963	FCHTXFNVVMRJPZ-RQZCQDPDSA-N	580.198	7.355	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)Cc2ccccc2Cl)cc1	409065388	RTOCCYMEIVNQFN-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409085022	QZQJLVWCGCEZBE-HHVXFKTKSA-N	762.226	6.589	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccccc1Cl	409091079	SZFCANFVXDBVSO-DEOSSOPVSA-N	602.812	5.869	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)OCO3	409105578	LFVKHCWCBGOQRG-QFIPXVFZSA-N	668.200	5.561	50	40	KKGB	
CC(=O)Nc1ccccc1Sc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]	409120212	VBMVFLGPZOYJEP-ROTLSHHCSA-N	503.367	5.775	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Br)c1OCc1ccc(Br)cc1	409128549	PLAULMRFBTWECW-LJQANCHMSA-N	546.219	5.049	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1Cl	409142073	QIPXIWXXYNJETE-QESWDSMOSA-N	564.807	5.106	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1ccc(Br)cc1	409155787	NEUSUEKIYYUZLP-AMVVHIIESA-N	693.336	5.176	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1	409156182	SYPGMNWFMNPJFX-FJEPWZHXSA-N	532.399	5.979	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409185204	UEUGTEBFVHRTBV-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc4c5c(cccc35)CC4)cc2)CC1	409185930	SSHSDDNHCHQCEF-QNKGDIEWSA-N	504.634	5.033	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	409186104	WPWZFYTWOVUCSO-WCMJOSRZSA-N	615.495	5.566	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC	409218731	GOQPEFRSUWHYLB-NVJOKUIPSA-N	537.783	5.656	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409222486	DFJBXAZOYYZJDL-UHFFFAOYSA-N	642.621	5.255	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409225110	OZKXCFXLPGLQSW-XDHOZWIPSA-N	615.855	6.215	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c2)cc1	409226470	SXVKVXJCGDKKDG-UHFFFAOYSA-N	562.409	6.237	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409249203	GTPWOKMQUQCXHO-LDADJPATSA-N	601.828	5.906	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409252044	BJGQFEIRSSVEGP-YSYOEVFLSA-N	719.061	8.376	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)c(C)c1	409260810	WWCVGZLJKORDKO-YBFXNURJSA-N	527.930	6.539	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)ccc1OCc1ccccc1	409269915	BBGRHPQJXUGUGE-VHFSBPNMSA-N	620.533	7.369	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(OC)c2)ccc1OCc1ccccc1	409271974	WYOUGKSAQOOSNV-KMUKQRDJSA-N	646.538	6.525	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C)cc2)cc1OC	409301080	DAMGRKKUSCKBHF-NTFVMDSBSA-N	511.416	5.898	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OC	409304909	TWKKKEQTLQDAME-LJUMEUDFSA-N	645.494	5.577	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)cc1OCC	409310917	DCPNLULWOGWJBK-NTFVMDSBSA-N	638.334	5.707	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OCC	409316249	LUJXNCMBJRJGGI-MNBJERMJSA-N	525.045	6.578	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)cc2)ccc1OCc1ccccc1	409334454	LRJNWMJWWWFQEF-MZFJOGFUSA-N	515.009	6.661	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409336995	VPIRPMKBYIVPMI-KYHGBAKBSA-N	575.540	6.756	50	40	KKGB	
CC(C)(C)c1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1	409369506	PJGTWUUECBFJNW-MNDYBZJGSA-N	611.389	6.395	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCc1ccccc1Cl	409383971	RZZLQXXWSVMAFE-LICLKQGHSA-N	590.895	7.799	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)C(c1ccccc1)c1ccccc1	409392299	OUYCZUARIBVOTH-BIZUNTBRSA-N	569.446	6.576	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)cc(OC)c1OC	409395243	LLBGYYIOJCJPKR-UHFFFAOYSA-N	656.533	7.223	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397818	OJKVVSNSKXXRDX-UHFFFAOYSA-N	663.899	7.475	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)c(I)c3)o2)cc1	409401933	ISURXIRGVUHLJL-AEUUOICLSA-N	679.942	7.867	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)o2)cc1	409403767	NVNHXNMARMBCHA-RODHXAHZSA-N	667.387	8.678	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1O[C@H](C)CC	409403867	OIYLFYAXULEVBF-AMEPNOGLSA-N	529.637	6.606	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	1529545676	AKHZJXVRSJFNDV-MJJWSTQNSA-N	637.158	5.203	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1	1529547096	IQAKXXSOWUDEPU-IMBFNDCQSA-N	832.342	6.825	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2cccc(Cl)c2)c(I)c1	1529548805	OERTTXURAXVZIJ-AYSITGFNSA-N	844.897	6.013	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	1531386439	XBSGDODOWCYBHW-GYJUCFALSA-N	624.488	5.741	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	1874187	REFLNWNJDDFGFM-FDAWAROLSA-N	559.761	5.723	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1	3084881	QAOCNKLMFWTNIT-FDAWAROLSA-N	593.061	5.481	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1	3084885	YPAIDJQNIYTIKM-LGJNPRDNSA-N	571.280	5.110	50	40	KKGB	
Cc1cc(I)cc2c1N[C@@H](c1ccccc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6194075	PFITVAHMWKMAJH-LPVRMUPLSA-N	576.887	7.546	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3Br)n2-c2ccccc2)cc1	27062091	ICHDYQYUOMRING-YSMPRRRNSA-N	506.429	5.248	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1cccs1	33355320	SPRKXSORIDRHDW-NRFANRHFSA-N	530.469	5.308	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2C)sc2c1CCCC2	33409274	IIIYPTHWTRNQEQ-XMHGGMMESA-N	508.043	6.410	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)c(C#N)c1C	35202150	VORTYZWUSLXEBH-CIAFOILYSA-N	500.576	5.411	50	40	KKGB	
C=C(C)Cn1c(CCn2c3ccccc3c3ccccc32)nnc1SCC(=O)N/N=C\c1ccccc1O	58993250	RRROHEMPHICTPL-LQNQUEJISA-N	524.650	5.153	50	40	KKGB	
Cc1cc(C)c(NC(=O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(C)c1	59483851	HTUXPDPOMAAHRA-MUFRIFMGSA-N	522.443	5.822	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)cc1OCC	97958581	ARTWWRAHPSXBKN-GEQAXVAPSA-N	563.098	5.905	50	40	KKGB	
CCc1cccc(CC)c1-n1c(SCC(=O)N/N=C/c2sc(N3CCCCC3)nc2-c2cccs2)nnc1-c1ccc(OC)cc1	97980905	ZCVICXRSANFMIW-XICOUIIWSA-N	671.918	7.485	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	97980925	NSAGJQSOJQZYMN-HBIXSGMVSA-N	589.058	6.699	50	40	KKGB	
Cn1c(P(=Nc2ccccc2[N+](=O)[O-])(c2ccccc2)c2ccccc2)ccc1P(=Nc1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1	97984860	CBHNGCPMCMQABP-UHFFFAOYSA-N	721.694	8.460	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1cccc(Br)c1	100047026	MJCLTXUXJBVXDW-DPNNOFEESA-N	595.534	6.920	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1Cl	100063307	DATGRGYYMNMPLE-UVHMKAGCSA-N	522.226	6.036	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(O)(c1ccccc1)c1ccccc1	100197544	OAVZPBRHNTXYPD-YUMHPJSZSA-N	520.339	5.004	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1	100227821	NQGJGBLDXLVUHI-ZDLGFXPLSA-N	603.800	6.376	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2nc3ccccc3s2)N1	100565443	ZUZHPXTXUOYZBA-AREMUKBSSA-N	537.670	6.003	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(OC)cc3)nnc2-c2ccc(Cl)cc2)cc1	100898658	NTSOZJZHOZAKKF-RDRPBHBLSA-N	536.057	5.628	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1	101537501	MNULIPDSQJTVDJ-RUMWWMSVSA-N	543.491	7.667	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C(C#N)[C@H]2c2ccco2)cc1	102760595	MVFUJICPNBEGSX-SANMLTNESA-N	610.614	6.182	50	40	KKGB	
Br[C@H]1CC[C@@H](Br)[C@@H](Br)CC[C@H](Br)[C@H](Br)CC[C@@H]1Br	150338831	DEIGXXQKDWULML-URIQBSJHSA-N	641.700	6.922	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](Br)CBr	150341050	VQQUFCBIFOJLEP-REOHCLBHSA-N	705.922	8.425	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2ccc(C)cc2)cc1OC	150474240	OBXJEFXPVIKWBO-KCSSXMTESA-N	639.572	5.528	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164702204	NLNRTCIRRUTINR-ONUIUJJFSA-N	725.368	6.884	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12	209605593	PONZQOJQXIJLBZ-LQNQUEJISA-N	517.423	6.652	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCC(=O)Nc1ccccc1	408541432	GGSCNKAGXDGGPS-NDENLUEZSA-N	568.367	5.470	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408544847	XXMGZYVCZDLEEB-LSCVHKIXSA-N	580.205	6.948	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1	408544897	YJBJBDBZFNEYLI-NHDPSOOVSA-N	517.368	6.969	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408567595	FTSCXPPGQMTGFV-PNQUVVCRSA-N	646.843	7.996	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Br)cc1	408586239	MBYLBTKOOHBZAV-IUXPMGMMSA-N	615.092	8.012	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CC2=O)cc1	408611912	XNHIMURNFFTVTD-SFHVURJKSA-N	514.409	5.467	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408689697	YWJLSERXWOVPBM-FSMQDNEQSA-N	646.119	5.237	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3cccc(Br)c3)cc2-c2cccc3ccccc23)c1	408724055	DFKRKHSKJVHEDW-UXHLAJHPSA-N	509.407	6.527	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1ccccc1	408731403	MCIWTJZUCSYCOP-WUFVBDPGSA-N	576.450	5.416	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741286	IBSXOMIGHLRWLR-SEBMTOOBSA-N	576.483	9.142	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)c1	408743918	IEUUHIONIRSZEP-ZDLGFXPLSA-N	607.673	7.140	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(Br)c1	408761883	IBUNCPIVYYPHNB-YVLHZVERSA-N	530.191	6.475	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2Br)cc1	408762106	CSMAAWJGMXHZKJ-GZTJUZNOSA-N	623.266	5.676	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc2c(c1)OCO2	408765532	LVJWSUIMEBLTSP-MTJSOVHGSA-N	517.379	6.031	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	408773583	VHIMIZJOJZLYFJ-RDRPBHBLSA-N	527.090	5.149	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794089	HVHXYQUFEMBKEI-JJIBRWJFSA-N	552.461	8.121	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408797344	QYNAKTIBCPKDNG-XDHOZWIPSA-N	507.930	5.780	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408799295	YRYKIDPDRQFMCO-VXLYETTFSA-N	570.827	6.843	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	408799459	ZFERMLZGGRYYFD-RQZCQDPDSA-N	576.672	6.998	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408810247	JISDNYOERICCAV-HZHRSRAPSA-N	571.471	7.443	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc(I)cc1	408811137	KJUUNVFJJJPQMZ-JCMHNJIXSA-N	582.413	6.682	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1	408849334	ZMHWOGQYHJERKY-WBIBEUCMSA-N	816.275	8.767	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1	408853088	YMDDMFDBJMGYRS-RGEXLXHISA-N	618.901	7.316	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc2c(c1)OCO2	408854634	ALHBBZRNYCIKNB-CPDSRJINSA-N	563.404	6.004	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(OC)c(Br)c2)c(Br)cc1OCc1ccc(Br)cc1	408858383	OYPVUALVXINFDX-XKJRVUDJSA-N	720.050	7.487	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408858777	LTDVUWWRORCFME-XKJRVUDJSA-N	622.328	6.539	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408860213	WTPKXTOWXXQKIX-IZYHBKOJSA-N	735.484	7.396	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408861995	CGOAJTJFCBWKOE-IZYHBKOJSA-N	767.551	7.810	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1	408862921	NRUDYBNGPWICPA-FABQOPTDSA-N	654.558	6.138	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408863148	PPDGYCZVXVGXTP-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408864502	WKQASCIAXRXNLF-VFLNYLIXSA-N	602.765	7.629	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(I)c2)c(OC)c1	408875548	JSRFSSQLLRUALH-KEBDBYFISA-N	572.374	5.250	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1	408878227	YNCKCCLBKUJLIO-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Br	408880321	JIJHSHVBZSCXID-VZUCSPMQSA-N	529.572	5.718	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1Br	408887321	PLECKOWRURKDQP-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OC(=O)c1ccc(OC)cc1	408888062	WGLFFYIPGCPBOY-LICLKQGHSA-N	637.257	6.770	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1	408889122	DWPPTXZFMGQFCI-WOJGMQOQSA-N	633.134	7.356	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408891645	UHDOIRYRUIIHHE-LZYBPNLTSA-N	655.310	6.685	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408896800	SXMNQFIQRSUZLG-CIAFOILYSA-N	551.857	8.323	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1	408900843	YACLEDPDHTXPRC-BRJLIKDPSA-N	641.388	5.831	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c(OC)c1	408923759	LQRHOCZMMGNLQR-QXFUSVJWSA-N	728.762	6.448	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccccc1	408940767	CYEBPUBLFIXZFF-YTTGMZPUSA-N	642.778	5.278	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(C(=O)OCC)cc1	408945821	LQSLVNUGMCSXDL-SSEXGKCCSA-N	709.619	5.090	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408955921	VGFLENIDHYWEKN-MOSHPQCFSA-N	561.411	5.353	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408964715	DERBRKGGPSWFCD-VVEOGCPPSA-N	564.358	5.566	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2c(Cl)cc(/C=N/NC(=O)c3ccccc3)cc2Cl)cc1	408970790	KJHAMXYPMMDGDU-AJBULDERSA-N	529.464	7.174	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1)c1ccccc1	408982032	XJXDYKIAMLZPIU-RLBGMPNZSA-N	525.605	5.755	50	40	KKGB	
N#CC(C#N)=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1	408989386	HQHCTRGHYPKORO-UHFFFAOYSA-N	509.528	5.587	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	409011177	FAFYKLBNOOMYBA-NMQDFEQMSA-N	624.157	5.673	50	40	KKGB	
CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	409018251	UCSKJABRZBXVGM-BXPUGBIQSA-N	502.398	5.313	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409019506	JMOPAWBQKWUIOE-ODNPBWNPSA-N	646.582	6.472	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1	409028844	RLMLWASXRMLPRR-GZZLJNBRSA-N	554.672	5.237	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409029120	WMBWRFBEJJSRBB-BSAWEUQCSA-N	599.540	6.498	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1cccc2ccccc12	409035972	KTFWPPNZWGQKCK-NTCAYCPXSA-N	505.357	5.840	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)c2nc3ccccc3o2)cc1	409039686	DADKLBMHHKOUKW-VCHYOVAHSA-N	524.212	7.304	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccccc1	409048222	RNZHCSIZNWTISS-CPNJWEJPSA-N	509.484	5.667	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	409050746	ZFXSQCGHIDMWGX-FABQOPTDSA-N	567.114	8.167	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c(Cl)c1	409052626	VEPVFPKSGVWPPR-WKULSOCRSA-N	507.815	6.907	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1C	409078768	ICPWCWHIVMGRGZ-VWJSQJICSA-N	689.335	6.807	50	40	KKGB	
O=C(OC(c1ccccc1)c1ccccc1)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409177358	FIESQBCVMHINPW-LWSSLDFYSA-N	597.303	6.059	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1	409201419	MPJPZEZIBGHKHE-LUOAPIJWSA-N	680.708	6.510	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)oc12	409213632	VEOLKESCWYQCMT-RPPGKUMJSA-N	510.344	5.074	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)c2)cc1OCC	409222190	AWAYKCMFAANGDV-UHFFFAOYSA-N	616.070	6.381	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br)Nc1ccc(Cl)cc1	409248066	BRNWTCSASMLABT-NKHVPTTDSA-N	739.877	8.514	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C	409254163	CWSUBSNTEKKWDY-QJOVZPHJSA-N	619.747	7.351	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409259159	XUQGFXFUGHFOMV-CIAFOILYSA-N	597.409	6.297	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409261218	BZBGQKIDKGQJKY-AEVGBRMKSA-N	674.610	8.349	50	40	KKGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1)Nc1ccc(Cl)cc1	409261798	BKYFSDKSPIVAGV-OHUYPAJKSA-N	582.085	6.989	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1OC	409310213	SFJFFRKYECKRSM-MNDYBZJGSA-N	633.337	6.099	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(OC)c1OCc1ccc(Br)cc1	409316801	ZVYZQQHHKTZMNE-KOEQRZSOSA-N	510.431	7.983	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1OCC	409318403	VJEKDEGXIYOLAO-MNDYBZJGSA-N	624.757	7.395	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	409367804	LKNXVVVTOCWJLD-LGJNPRDNSA-N	639.231	5.197	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(Cl)cc2Cl)c(C)c1	409369587	QCPNWKYVHCGKLE-MWLSYYOVSA-N	532.493	5.302	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)cc1	409370183	MNDFZUDXXSRNMH-MOSHPQCFSA-N	534.410	5.638	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409372823	KXXYLGTXNOVYHR-KPGMTVGESA-N	594.437	5.930	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)c(Br)c1O	409373539	QIBODEIVZUFTAT-BHGWPJFGSA-N	522.193	5.242	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c(OC)c1	409383869	MQSUTUTZWDHTSF-MUFRIFMGSA-N	519.395	5.962	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1cccc(C(=O)O)c1	409387288	VMRSSVMIZVNZJV-XODNFHPESA-N	645.431	5.854	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)[nH]c2c1	409391742	LAMHPHHYVASLQO-MFOYZWKCSA-N	539.227	6.740	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409393402	WXUBIQACHONKLG-CAQPMQTCSA-N	563.879	6.972	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)[nH]c12	409395336	MJSSZDUVDWNPAJ-UHFFFAOYSA-N	666.713	7.461	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409395808	RZHHPBIPPRXXAU-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396207	GROAJSDWNRDGNP-UHFFFAOYSA-N	551.574	6.364	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397093	GBMSUQUYCAUBLA-UHFFFAOYSA-N	561.516	6.829	50	40	KKGB	
CCCC[C@H](CC)Cn1c2cc(B(O)O)ccc2c2c1c1c(c3ccc(B(O)O)cc3n1C[C@H](CC)CCCC)n2C[C@H](CC)CCCC	2362804408	XRXLRKUWYMDDAG-DYIKCSJPSA-N	669.569	7.713	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)N=C3CCCC(O)=C32)cc(OC)c1OC	1249730	HZMYKYXHUDHSLT-DEOSSOPVSA-N	584.492	6.116	50	40	KKGB	
CCOc1cccc(/C=N\c2ccccc2SSc2ccccc2/N=C\c2cccc(OCC)c2O)c1O	1647099	KNJSEVWCSBBTTF-CDSIFPFTSA-N	544.698	8.196	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(C(C)(C)C)s3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	2188833	UTAOUOZUGRIAAB-XMMPIXPASA-N	563.789	7.103	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccccc2)cc1	2276661	WEHKJJSXRQYWPH-JFLMPSFJSA-N	537.001	5.137	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccccc1Cl	4196290	KGYUHHRMHWPVTG-RGVLZGJSSA-N	511.803	5.913	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2SSc2cc(Cl)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1	4287869	UBZRYTRUKBWCNE-UHFFFAOYSA-N	637.698	10.892	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCCC1	6445779	JKDIDVNIQNANCB-GCZGMXNJSA-N	612.977	7.632	50	40	KKGB	
CCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	8449623	HBXJPCOGFXIIIE-UDPGMGRYSA-N	541.280	5.235	50	40	KKGB	
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	15229567	GQAWXHXQZWYXCX-QQXSKIMKSA-N	504.011	6.318	50	40	KKGB	
CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2C(F)(F)F)/C(=C/c2ccccc2C(F)(F)F)C1	19938721	JSCZXWWZAWREOE-UPMCQBDUSA-N	505.462	6.205	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)NCc1ccco1	28214789	FYAYTFUVEZXCLM-KBVAKVRCSA-N	513.619	5.172	50	40	KKGB	
O=C(NNS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)n1	59530785	RLFWBTJNZIJXMZ-UHFFFAOYSA-N	608.826	5.602	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccc(O)c(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	97956606	FPTNTTODMJPXDH-NDEPHWFRSA-N	541.629	5.360	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)c(Br)c(Br)c1O	97958547	PGNIUCXHONXPSZ-GZIVZEMBSA-N	532.641	5.948	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H](C)CC)cc2)c(Br)c(Br)c1O	97961753	HNALKEXENIEVMN-DKZNWEEVSA-N	528.241	5.359	50	40	KKGB	
Cc1c2c(c(C)n1-c1ccccc1)[P@@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)N(c1ccccc1)N=C2	97983518	QCZXWIZGAGWKSV-LDLOPFEMSA-N	531.556	7.255	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C(C#N)[C@@H]2c2ccco2)cc1	98048918	YZEAEERPRGYJPT-AREMUKBSSA-N	566.605	6.567	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1	100047164	YDUJTLYKBJIENN-CEFDUCDBSA-N	590.680	5.682	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100336322	OJYFBGWDDNYDGQ-NVMNQCDNSA-N	546.248	7.198	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc(Br)c1OC	100554468	AXJYVIKDHCWSKC-JJRPROGJSA-N	585.886	5.107	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1OCc1ccccc1	100852172	ZJQNHBCLCZEWKS-GKVNEZTPSA-N	619.791	7.370	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	100925326	AAEPMFMYVZXNMW-IDJUBOEBSA-N	536.484	6.087	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@H](C)CC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	101784845	GVTSHFSFMMCUHR-GBYSFBBLSA-N	536.541	5.737	50	40	KKGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)c(C)c1	102580150	JTYAQTKBJPVAHY-RUZDIDTESA-N	520.098	7.543	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2cc(OC)ccc2OC)=C(C)N1	102808705	DYHSSHLAJHIITJ-MUUNZHRXSA-N	572.687	5.874	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(-c2ccccc2)cc1	102979223	DHJHAMCJPJEMHE-VUTHCHCSSA-N	548.462	6.071	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1C#N	103884063	BZNRGWWLOSZELQ-XYGWBWBKSA-N	571.475	5.554	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)c(C)c1	105436869	GCXVXTXZCSIDNX-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/NC(=O)Cc5c[nH]c6ccccc56)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1	118923061	CEUHHNMGEVILPT-ZCOWFQSCSA-N	563.742	7.371	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C(=O)[C@H](Br)[C@H]2C1	118930516	JORIUVUQFBFOKU-MCBCSFOTSA-N	523.596	7.592	50	40	KKGB	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1	150452180	BTGZVAVMXVBZKO-UHFFFAOYSA-N	688.750	5.988	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	169795465	PIVOJTGCVXEFSI-KDURUIRLSA-N	656.315	10.350	50	40	KKGB	
CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1	209527521	DDHGEESTOFVDKM-DHRITJCHSA-N	530.220	5.578	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)CCCCC)CC[C@]4(C)[C@@H]3CC[C@]12C	253499647	LUCINILKTDTAAV-KDSMZAJDSA-N	549.349	11.132	50	40	KKGB	biogenic
COc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2OC)ccc1OCc1ccccc1	408539351	VTBUQXOAHIUODX-DICXZTSXSA-N	583.084	7.678	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543722	SJVUGBBGLYTSCA-PPOKSSTKSA-N	535.644	5.746	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408551591	OGXVCLVGVDOGGK-QRVIBDJDSA-N	545.408	7.222	50	40	KKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC	408551818	GHLBIAOHRYYLMH-OQLLNIDSSA-N	500.418	5.604	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(Cl)cc1Cl	408570677	XNTKJXWFKFOWDN-UVHMKAGCSA-N	520.507	6.409	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408649349	XUFSLWMIQQFEGG-NDBXHCKUSA-N	752.865	5.578	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1)NNC(=O)c1ccc(Br)cc1	408669701	YINXKMURVNTMDJ-UHFFFAOYSA-N	633.293	5.117	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408680798	GSKIVNKDPRSPTO-VQHPVUNQSA-N	589.111	5.473	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2-c2ccc(-c3ccccc3)cc2)cc1	408724047	DAIIXFNEZOKEFG-BIZUNTBRSA-N	500.558	6.007	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408744855	NQLGBUGIYKKUJL-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1	408771867	KTLAGQRURWPUSS-XHLNEMQHSA-N	507.656	5.119	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408792089	HQQRQUOGJCEQBS-VIZOYTHASA-N	618.085	8.029	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794429	JCYVRXZPPXJCJP-OEAKJJBVSA-N	608.319	8.460	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(F)cc1	408814222	SASIOVVRPHHGHY-FDVSRXAVSA-N	507.359	6.406	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(C)ccc3C)o2)cc1	408823950	GALYHPQUZUFQSB-BJUCDSOZSA-N	627.550	5.992	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408826980	JZEBMDPAXHJJHS-LPYMAVHISA-N	626.309	8.599	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408835429	YSMNESAURYUFAN-HYARGMPZSA-N	598.313	9.004	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc(OC)c1OC	408839499	TWGHSPIVEMSOLO-IZYHBKOJSA-N	658.132	7.124	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)ccc4OC(=O)c4ccc(Br)cc4)cc3)sc2c1	408840651	ZRSLTFKBJFDDSE-QNVXDBMFSA-N	725.846	8.624	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1	408840666	CXMJTYXSWYDMJU-HIWRWHBISA-N	603.464	7.248	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	408841143	JDKFWXYFLASOPU-KCSSXMTESA-N	566.054	5.712	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	408843949	HODYOUBDJZWYGV-QMBVZLLKSA-N	685.822	5.756	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1F	408847762	RJVWKDUVSYASOC-DBSPGSINSA-N	626.526	8.096	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)cc1	408855164	CWFHZPVYWCYKMM-KVSWJAHQSA-N	639.671	6.805	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccccc2Cl)cc(Br)c1OCc1ccccc1Cl	408863779	QABUZYAZIJOUPS-OFSVBXKLSA-N	534.237	6.507	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	408871293	WUYIIYBJDQSXNC-GZZLJNBRSA-N	504.634	5.352	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1OC	408880490	JHHCBYPWYWSYKP-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1	408889542	DXOZKEODQXHAQR-XSFVSMFZSA-N	524.982	5.139	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408889892	KPUHQKCJMXKZAE-GZTJUZNOSA-N	561.841	5.733	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1cccc2ccccc12	408904258	HDPGWBOZVUVWKO-LQNQUEJISA-N	532.438	7.044	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408924654	PUSBFQOXSPHZQF-GGMOOUJYSA-N	720.404	6.064	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(I)c1	408949614	RIOYFNQISOJRTF-MHZLTWQESA-N	781.442	5.657	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408952323	NGPCKLASVMVAKW-JAIQZWGSSA-N	752.188	6.984	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1C	408981602	BXOIZMNRGPTTJB-STZFKDTASA-N	527.968	6.697	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1	408988052	CIEMZJSLJXBZQG-GZTJUZNOSA-N	565.032	6.731	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)C(=O)Nc1cccc(Cl)c1	408989745	ITLPMLARIWRLOK-FOWTUZBSSA-N	583.050	7.040	50	40	KKGB	
O=C(COc1cccc(Br)c1)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408993282	DBQFUKCIOKBWTN-BCHBDCPOSA-N	735.110	5.465	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1I	409008796	IIKOIPGYBWBNQS-PGGKNCGUSA-N	697.061	5.110	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409011588	GMTXXXQZAUHUHN-UJTCGRSISA-N	743.515	8.652	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1	409022316	JOIXRZSBRNEDRJ-NUJZUDFISA-N	524.802	5.759	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409023975	GGEACDUQLXTKFU-YTWDJBGZSA-N	507.656	5.493	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cccc(C)c2C)cc1	409027436	DJFJBBYSAKIZLX-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409141116	HMJNSODKJWSQSO-VWLOTQADSA-N	570.915	6.064	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1	409154518	BGCYFTKFOOFPPY-PNQUVVCRSA-N	642.721	5.914	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C(F)(F)F)c(OCC)c2)cc1	409160609	UVJNYHWHJZCYNP-AABVJFSESA-N	665.463	5.762	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3C)c(OC)c2)cc1	409162976	KEUBEBZUNDCVFY-IBBHUPRXSA-N	631.911	5.315	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl	409197225	ZEKIHYRXQDCLDU-UFWORHAWSA-N	511.361	5.533	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409220162	UZSHWHZYYIJBGQ-UHFFFAOYSA-N	590.463	6.936	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c2)c1	409223185	FQAXWYCUSQFRMJ-UHFFFAOYSA-N	730.207	7.218	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409223534	FWZISUBXPAGMQG-CLMHMYBWSA-N	534.528	5.230	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccccc1	409236874	HQRXQGZJKHKFPX-LZAZYHHXSA-N	534.410	5.260	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	409314162	RRMYGCOZCYFCDS-DLCNMLRHSA-N	583.899	7.967	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1OCC	409328032	YFLLZUWDLCUWLC-FDVSRXAVSA-N	545.405	5.737	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1ccc(F)cc1	409373760	UKLWRLJEEDKALT-WCMJOSRZSA-N	506.961	6.383	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OCc1cccc2ccccc12	409382237	ZKBQPQRTZMJUKW-QRVIBDJDSA-N	577.422	6.128	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409391235	IECIIDNJSUDKSE-AMVVHIIESA-N	612.278	6.414	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409395070	JLJLARGDMRZXKB-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)cc(OC)c1OC	409395424	NJPMOPKVAIEOPR-UHFFFAOYSA-N	675.479	6.448	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409396975	DMWYNEBTTNWROV-UHFFFAOYSA-N	639.833	6.678	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397691	MVWPLLRTAMNJII-UHFFFAOYSA-N	696.971	8.203	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409398133	RAPJVFRGPTVRGK-UHFFFAOYSA-N	694.323	7.194	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409400376	CNVBFFQQFRRJEF-CVUIAOGPSA-N	798.916	8.625	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Cl)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409404191	PFGTYHFFHXRGJF-VHFSBPNMSA-N	646.969	8.333	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	1529547754	OTNQMQFZIUOOLM-XINRNAFCSA-N	750.897	6.329	50	40	KKGB	
C[C@H](C1=C(c2ccccc2P(c2ccccc2)c2ccccc2)CCC1)P(C1CCCCC1)C1CCCCC1	1857524005	AFASRUNUZFNDCY-GDLZYMKVSA-N	552.723	9.918	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1c(Br)cc(Br)c(O)c1Br	3106917	IHKCDZUEXPVVTJ-IGCPIRJNSA-N	575.866	5.516	50	40	KKGB	
COc1c(Br)cc(C(=O)N/N=C/c2cn(Cc3cccc(C)c3)c3ccccc23)cc1Br	4062608	KUEWOMRBOWNAIE-XODNFHPESA-N	555.270	6.296	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(I)c1)c1ccccc1Br	8386674	SWAJTQNBLXFEHK-ZMOGYAJESA-N	548.178	5.070	50	40	KKGB	
O=P(CCCCCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	8445339	OQSMVSCQQSPDFN-UHFFFAOYSA-N	528.613	7.745	50	40	KKGB	
Cn1c(NC(=O)NNc2ncc(C(F)(F)F)cc2Cl)cnc1Sc1ncc(C(F)(F)F)cc1Cl	12955759	WFVVZDCIWGTJML-UHFFFAOYSA-N	546.284	5.854	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1cccs1	20028786	WPMGMGBVEJWEQJ-QFIPXVFZSA-N	500.045	5.507	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(F)cc1	59597912	LGEREZOITDQZSZ-MZJWZYIUSA-N	500.368	6.030	50	40	KKGB	
N#CC(C#N)=C(c1ccc(N(c2ccccc2)c2ccccc2)s1)c1ccc(N(c2ccccc2)c2ccccc2)s1	59608366	CDLJBEOUQHOHRM-UHFFFAOYSA-N	576.750	10.598	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(C)cc2)cc1	59885848	HUTSQOVJLJVXIP-OKCVXOCRSA-N	572.470	5.916	50	40	KKGB	
COc1ccccc1/C=C/C=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1	97959440	SWDYEUJHWDQWHE-UABMNINZSA-N	538.460	6.157	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2cc(Cl)cc(Br)c2O)n1-c1ccccc1	98045822	NRKVQQFMAQTDID-NYFWCRBMSA-N	725.838	6.545	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	100225389	PNGSDMUTZOMAJN-QDTIIGTASA-N	552.303	6.331	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	100231631	YFWOQBGFDUWONH-HAWBNNOCSA-N	564.085	5.819	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(C)cc2)cc1	100242973	KVTZJNIISFIMNA-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N=C2CCCC(O)=C21	102516938	UHFRIZPWLOIEIF-AREMUKBSSA-N	501.652	6.652	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)NN=C(c3ccccc3)c3ccccc3)nnc2-c2ccccc2)cc1OC	103133738	VNUJWANKVIZQRG-UHFFFAOYSA-N	549.656	5.612	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(I)cc1	103883389	DFFFIJPPHYIVPB-JCMHNJIXSA-N	613.883	5.788	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Br)cc1	103890718	REKUXXIQJRSHGO-ZHZULCJRSA-N	542.260	7.609	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709408	QMYYYBCOPWHRNK-BTQJMXPFSA-N	562.135	6.957	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CCc5ccccc5)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1	112255633	QQFIXNHHVBYHED-VICZXCEWSA-N	584.632	5.189	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342226	YAAPCTUSYWZIPC-REOHCLBHSA-N	842.037	10.293	50	40	KKGB	
C=CCc1cccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3F)CCCN2Cc2ccc(N(CCCl)CCCl)cc2F)c1O	150373947	MKBWIJXJXGUIPV-UHFFFAOYSA-N	714.556	8.374	50	40	KKGB	
COc1ccc(CNC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	150498841	DNYDEUPGMNNCBA-MJXLXAJKSA-N	663.967	5.406	50	40	KKGB	
C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	195766590	JJNHXXXGXRHCFL-PJTQZDKOSA-N	696.049	6.948	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1	216063680	NZOQUYCRTKEXMT-MUFRIFMGSA-N	592.861	6.475	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc2ccccc2c1	408549242	RHJSHOYYJNXTKJ-NKVSQWTQSA-N	588.126	9.315	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550949	INWQHYOSCCEJCR-QDTIIGTASA-N	565.251	5.936	50	40	KKGB	
Cc1nc(-c2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)cc2)cs1	408552216	PHSCENYHAFGILP-VWDPFFEDSA-N	608.334	7.514	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1	408568518	KDOQCXXOIHDJDT-RWPZCVJISA-N	557.535	6.344	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccccc1Cl	408570524	WIVVGXWZSMOWKP-MFOYZWKCSA-N	526.793	7.160	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(F)cc1	408580840	SBJKYNKDGFOHHZ-YBFXNURJSA-N	531.219	7.393	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccc(-c4ccc([N+](=O)[O-])cc4)o2)c1)CCCC3	408730710	HIQNZBDTADHSHP-UHBFCERESA-N	553.600	5.567	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)ccc1I	408747354	MUCQTCPTSZEQTM-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)NCc1ccccc1	408747401	NIWFQAWUGDVCML-LSCVHKIXSA-N	689.118	7.005	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OCc1ccccc1	408750318	ZYDWVEIBHLDBHK-LQKURTRISA-N	536.369	5.796	50	40	KKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)Nc1cccc(Br)c1	408751937	DXINGLCMYPVONN-WDZFZDKYSA-N	507.127	6.470	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cc(C)n(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2C)cc1	408754645	ODZKTSDBFYNGKB-UGFRYCICSA-N	685.725	6.965	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)Nc1ccc(Br)cc1	408761397	DWZAZTMOHMOMSN-WJDWOHSUSA-N	545.220	6.319	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)cc(C(C)(C)C)c1O	408762663	FPWBVXFZEXGYMJ-HNSNBQBZSA-N	526.681	6.525	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccccc1	408763976	VFGMIZCSXHPLFH-STBIYBPSSA-N	550.396	6.186	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Br	408764617	JOKMHLWFNQYSTE-IPPBACCNSA-N	596.360	6.520	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408764914	NSWIHERYEKSWGS-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1Cl	408766117	OZIWKPIWBYWMGE-MFOYZWKCSA-N	532.221	6.889	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408768231	VHTRPJUUODUANO-STZFKDTASA-N	599.444	6.410	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408785479	ZKVSMOVZUPSBGQ-VFCFBJKWSA-N	542.499	5.617	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(I)cc2)c(Cl)c1	408788600	LMTOLVVQMSXNIM-VCHYOVAHSA-N	563.222	7.031	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(F)cc1	408788957	NJSHBXAXJZERQQ-UDWIEESQSA-N	509.375	6.420	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1	408791079	SVNKSGSCYOXYCQ-XDHOZWIPSA-N	620.228	6.329	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1C	408794379	SCKOFMUWJJYATB-VXLYETTFSA-N	621.700	7.449	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794582	JSIMYNJGIVNMCF-LFVJCYFKSA-N	618.325	7.915	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(F)cc1	408797594	SAFYYERNTHUYKC-RGVLZGJSSA-N	556.375	6.180	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408802560	YUCPNSBESQFFRC-BUVRLJJBSA-N	555.472	7.606	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408805998	DOCHPQIZEWNSQL-WSDLNYQXSA-N	552.412	6.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1cccc(Cl)c1	408821367	GRAQJZTYFUTKLK-ZVHZXABRSA-N	696.823	8.967	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)c3ccccc3C)o2)cc1	408822588	BHRJKXTYVWMONG-OCSSWDANSA-N	536.053	5.705	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408832618	YAUAPNCDURLRFS-DPNNOFEESA-N	612.535	6.235	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc(F)cc1	408832820	ROUXRVJHEYOYTJ-OEAKJJBVSA-N	713.341	7.905	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cc(Cl)ccc2OC)cc1OC	408833167	ZLTUMLNEXVFOSO-MWBNBJEGSA-N	701.585	5.382	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1	408838342	VFCDOBMENDWXQK-NRRSEXCRSA-N	695.241	7.064	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408838607	GVFKTUSYFMOXOQ-MWBNBJEGSA-N	676.976	7.951	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NNC(=O)c4sc5ccccc5c4Cl)cc3)sc2c1	408841084	FLKXHOVVPJVZEY-UHFFFAOYSA-N	554.480	7.058	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	408843996	USRGLZNLWSOICW-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	408861031	LEQRVYZZYZOPQX-ZOQFXHERSA-N	521.642	5.804	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408877329	UVSFGFPEDWUBGX-LPEPFOFCSA-N	654.359	6.373	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1	408878687	BIILDKNKKWPKIW-RELWKKBWSA-N	512.587	5.860	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1	408885169	YCAXEVKIQMIJBL-VCHYOVAHSA-N	512.349	6.425	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OC(=O)c1ccc(OC)cc1	408886620	HQEZYLZCXCELPQ-FMFFXOCNSA-N	650.469	5.304	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OS(=O)(=O)c1ccccc1	408886735	LSXXALFOFWHLNI-MHWRWJLKSA-N	606.838	5.723	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccccc1C	408888096	WUAAAGZDKLKJSW-KEBDBYFISA-N	536.382	6.107	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OCc1ccc(C)cc1	408895008	KCOYKKCHNQUQMI-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OC(=O)c1ccc(C)cc1	408896819	TXVKUXNKTHVGRD-CPNJWEJPSA-N	538.341	5.373	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	408907621	OCDBQQOLRHHOGG-MIHYEXDHSA-N	680.337	5.449	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccccc1F	408923819	KKQKWHNDRPIQSP-UVHMKAGCSA-N	550.222	6.092	50	40	KKGB	
O=C(N/N=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1cc2cc(Br)ccc2o1	408933333	ARFOJYAGWXRZQZ-FDVSRXAVSA-N	544.361	6.600	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1	408942561	GFFNGKLYWFBGIG-NDEPHWFRSA-N	763.452	5.518	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OC(C)C	408951552	UMUBBGGNLJBWCC-MNBJERMJSA-N	593.465	6.617	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)c(OC)c1	408955228	OIWARECIKATYQC-PDQWDMBESA-N	842.400	5.343	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(Br)cc2)c1	409007227	VSCOVLFBZCMRID-IZUYBAIRSA-N	583.438	6.359	50	40	KKGB	
COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409008787	HWEKMZFVFOCZIF-QPJQQBGISA-N	612.443	5.988	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCC(=O)Nc1ccccc1C	409017128	WVWTZCUWPLWEBW-BIZUNTBRSA-N	524.621	5.583	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409019971	YKDIXUXAZFQAFH-AFEWJPRFSA-N	648.418	7.752	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	409025074	QGAGMDOYTWSHME-VUTHCHCSSA-N	532.493	6.049	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1	409056585	MUYQLAWTQWBSBA-RQZCQDPDSA-N	532.163	6.902	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409071131	DUPIVWGMHQKXDK-OQLLNIDSSA-N	662.811	6.285	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409072455	CESLUGXJXJEYRI-XNTDXEJSSA-N	592.798	5.926	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccccc2)cc1OC	409114599	HPCZBJBBMSPWHZ-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccccc1C#N	409115184	KVEHWMJZQTUVSJ-RUZDIDTESA-N	593.377	5.087	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Br)ccc2Br)o1	409119992	RVLHTHXMTBCMJW-JLHYYAGUSA-N	502.162	6.026	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409124272	AONBCMCXUJWAEN-QFIPXVFZSA-N	611.263	6.390	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	409133052	QJSVHAGSXZPUTR-FQEVSTJZSA-N	575.213	5.514	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409140200	GDNANWAJMLDALJ-MWBNBJEGSA-N	688.586	5.952	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409143164	VMKDAWMQDFOCTR-LGJNPRDNSA-N	536.651	6.137	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1	409156874	UBGSOMSVLYWYDE-XAZZYMPDSA-N	591.384	5.137	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(Cl)c2)cc1	409165955	BPKWUUPGTAQTCL-IBBHUPRXSA-N	585.886	5.010	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(I)c1OCc1cccc2ccccc12	409179482	PCCJECPAJRBKQJ-OKCVXOCRSA-N	625.419	6.103	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	409183979	HHNNRZJCADSHHS-VUTHCHCSSA-N	507.656	5.136	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	409184384	GKIBRZSUMHMWFX-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(I)c3)cc2c1	409187233	NTWAZEGSZFPHBC-FTCYSYDXSA-N	688.143	7.848	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC	409210838	LDLUQUUKMDTOLP-HKNSOBRKSA-N	532.831	5.373	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br	409212858	RQJCDSZKJOONEO-AUWJEWJLSA-N	510.138	5.126	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409215573	BLHOBGZRCYXYIQ-WQRHYEAKSA-N	514.173	6.763	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccco2)c1	409222875	DNMPVEWDTRARSQ-UHFFFAOYSA-N	522.344	5.822	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)c2)cc1	409223183	FPRLPPFQCOPEBG-UHFFFAOYSA-N	649.339	7.064	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	409251341	PHEGCUQEFGTUNL-FVEJEDPZSA-N	500.602	6.329	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OCC	409314427	GCXOSIMVSOPYMF-LJUMEUDFSA-N	552.027	5.402	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)ccc1OCc1ccccc1	409317733	RPLLHPIWRJKYGI-MZFJOGFUSA-N	515.009	6.661	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1OCC	409319351	DWMLFHICTQAKSR-QRQIAZFYSA-N	638.480	5.019	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OCC	409320177	AFHBYTHPQDRMBK-ZMGVVAQMSA-N	679.939	6.231	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409366496	VIQCYAUHPRRSMR-QDTIIGTASA-N	594.687	5.908	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1Cl	409366987	ZGYXAMXOBLHENB-KVSWJAHQSA-N	537.241	5.906	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371760	NGYHTRLUMKVERP-IDUWFGFVSA-N	653.170	6.355	50	40	KKGB	
Cc1c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409383739	DIWXSMLYDHUVDY-ALQBTCKLSA-N	542.466	6.691	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1	409384708	DXBUBIHBLHGHDW-YVLHZVERSA-N	570.827	5.683	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(C)cc1	409387472	WRVCMPZVSMTWAQ-CCVNUDIWSA-N	615.449	6.464	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409396287	XNCOVPZMIDMCMO-UHFFFAOYSA-N	666.746	8.412	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409396781	BCHOXEHFKVKUBM-UHFFFAOYSA-N	618.045	7.362	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409396968	DLIYZPDMILYGNH-UHFFFAOYSA-N	582.012	6.599	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397694	MWPQGCMMSBMIDN-UHFFFAOYSA-N	552.030	7.179	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc(Br)cc2[N+](=O)[O-])cc1	409401476	HDYWVRTXJNNWBW-VHFSBPNMSA-N	700.546	7.027	50	40	KKGB	
CCOc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409402239	JIHRGEPJDQLBAT-BVMLUPFRSA-N	645.348	6.962	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	1529548479	HHQXZMFFFJVFRF-UUTVKSQHSA-N	627.550	5.457	50	40	KKGB	
N#C/C(=C\Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	1897422	VHBOBNLFVKQALY-FMIVXFBMSA-N	552.759	7.328	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)nc3ccccc3c2=O)cc1	2239595	HENHVQHBXRIILC-ZCTHSVRISA-N	536.613	5.429	50	40	KKGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1O	2328974	QHLMCQRYCCDVGG-ZCTHSVRISA-N	525.678	5.908	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	2329111	GFUQBYFPLGYBAN-IVYNLYIOSA-N	512.393	6.197	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Cl)n2-c2ccc(Cl)cc2)cc1	2348821	BERRVWXZPFWGAG-MZJWZYIUSA-N	512.422	5.492	50	40	KKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Br)cc4)o3)s2)cc1Cl	2670879	XAGNQRVFCWJYSO-LDADJPATSA-N	538.854	7.264	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1	3142071	IGHJYFYNCXGBBL-VTNSRFBWSA-N	530.621	5.877	50	40	KKGB	
N#CC(=C1SC(c2ccccc2)=C(c2ccccc2)S1)c1nc(-c2ccc(Br)cc2)cs1	3176509	ZTVOEZCKASKGMW-UHFFFAOYSA-N	531.525	8.771	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1)c1ccccc1	8384666	WOPLKVKDJOTTRI-LLKOYHOCSA-N	619.143	5.326	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1	8721629	GQUGZWRXXCXKBP-QUPMIFSKSA-N	507.656	5.059	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	8812713	QQCZCOIJWTVALN-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1	8921813	HWQHVUQBVFPOQF-AFUMVMLFSA-N	521.133	6.295	50	40	KKGB	
CCCC(CCC)=NNC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1	12652441	QSDFREBHMPXOEL-UHFFFAOYSA-N	510.270	6.785	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/C=C\c1ccccc1[N+](=O)[O-]	19849579	MOFWGRUBDMAKPL-BDLNAQAPSA-N	518.986	5.403	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	30738491	ZESMHPARGCRFBX-DUWXKOEGSA-N	529.593	5.764	50	40	KKGB	
CC(C)(C)OC(=O)N[C@H](C(=O)N/N=c1/oc2cc3c(cc2c2c1CCCC2)CCC(C)(C)O3)c1ccccc1	32042433	PEHATRULOWWSAE-KZKDCKEFSA-N	531.653	5.613	50	40	KKGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	33921980	CJOYDLIVWDNREM-SMLVCEJQSA-N	509.433	6.764	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	59856464	FTPWJBKMSYUOSD-NJZRLIGZSA-N	543.645	5.253	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	97960715	JXGZGUXNARNUQC-ODLFYWEKSA-N	637.301	7.520	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2-c2ccccc2)cc1	97960872	FUNGEFZFTIKJHA-UGZLRZPTSA-N	702.858	11.099	50	40	KKGB	
Cc1c(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)c2ccccc2n1Cc1ccccc1	97961029	VUGAQYBFBOHUCD-VFLNYLIXSA-N	634.166	6.815	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1	97980840	BVBJWSKALKQAEB-PPFNPFNJSA-N	509.650	7.317	50	40	KKGB	
Cn1nnnc1SCc1csc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c1	98007414	RZVMLLSYPYBBKV-NRFANRHFSA-N	538.102	5.158	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1C	100123708	FBZMARKBMGVTBA-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl	100124467	KNGHVPXGWZXLCJ-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Br)o2)S(=O)(=O)c2ccc(C)cc2)cc1	100141527	QXRXGLDEGDPUOF-LJUMEUDFSA-N	623.529	5.139	50	40	KKGB	
CC1(C)C(=O)[C@@]2(Br)CC[C@]1(/C=C/[C@]13CC[C@](Br)(C(=O)C1(C)C)[C@@H]3Br)[C@@H]2Br	100747176	KCHBNJFXKOPVID-UKFZTSPWSA-N	616.026	6.115	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Br)cc3)nnc2-c2cccnc2)cc1	100853710	CMBLOOMDMPWYRP-QRQIAZFYSA-N	551.470	5.123	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Br)cc1	103755053	HFYRJPKHLXGPIF-MTJSOVHGSA-N	584.308	7.352	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccc([N+](=O)[O-])cc4)c3C)sc3c2CCCC3)cc1	103868030	CAERLLDISDHPRC-KBVAKVRCSA-N	555.660	6.267	50	40	KKGB	
Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccc(N(CCCl)CCCl)cc2C)cc1	104094100	USERMUBPPYDXTB-VEILYXNESA-N	504.483	6.139	50	40	KKGB	
COc1cc(/C=C\C(=N\NC(=O)c2ccccc2)c2sc(Nc3ccc(Cl)c(Cl)c3)nc2C)ccc1O	104289606	ZATAOEBGRWUVMS-ZEWZMUAFSA-N	553.471	7.064	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)c(C(=O)OCC)c1C	108170858	HSEALNFIXNJEDH-XSFVSMFZSA-N	601.656	5.861	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795402	BDFJPLJASNYKDT-OKILXGFUSA-N	886.222	12.211	50	40	KKGB	
C=CCO[C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	239562596	FJPFNIPMJGTTMW-MGWZFNEVSA-N	604.860	7.079	50	40	KKGB	
c1ccc([PH](NCCN[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	301054513	XVLUUWJIDFJTAB-UHFFFAOYSA-N	584.684	5.448	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)ccc1OCc1ccccc1	408539193	FLWBGWPELYMFPR-KYHGBAKBSA-N	576.005	6.187	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccc(Cl)cc1	408568045	HUEZEQKXJKERDB-MFOYZWKCSA-N	526.793	7.160	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408569268	ZXGUCCQLZXCBMF-CHHVJCJISA-N	561.636	7.524	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	408598979	MQBNZVHJCUVGOA-RWPZCVJISA-N	638.287	6.536	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408643574	GFXHWNAXMQYAGA-XMWSTLINSA-N	804.242	5.595	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408644839	RXYNPZLZBOMBCE-HNNXBMFYSA-N	653.560	8.141	50	40	KKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCc1ccccc1Cl	408691927	YICIBHXMSGJUFO-ZDLGFXPLSA-N	508.803	6.647	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(F)cc1	408710789	KQHLSADLOZHUIA-KBKYJPHKSA-N	540.614	6.347	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1-c1ccc(-c2ccccc2)cc1	408724129	FXJIJKXOEJBGTK-AJBULDERSA-N	501.546	6.187	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408742163	PULLDTIEOGNJGN-QCFMCPCVSA-N	552.590	7.743	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Br)c1	408757844	DCRBLQYZOJBMQM-MFOYZWKCSA-N	604.198	6.087	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408758717	PRIMMIDBWQOCDQ-YBEGLDIGSA-N	698.289	5.674	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1Br	408762704	QGVPHETUOVJFKF-UDWIEESQSA-N	641.157	8.252	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccccc1Cl	408764747	VIMLPSMXEMNBBK-RQZCQDPDSA-N	576.672	6.998	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408790370	PJWXOCUBHDWABD-LZYBPNLTSA-N	566.666	7.543	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)c(C)c1	408792092	HSGIOGZFLMFLFQ-VXLYETTFSA-N	605.245	6.934	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(I)cc1	408793358	DXTUMCQLVYCBIN-RGVLZGJSSA-N	664.281	6.646	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408797075	RASBCPDRAUKBHB-OEAKJJBVSA-N	618.427	6.364	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccccc1C#N	408797461	RZVGHDYQKAHXGF-RGVLZGJSSA-N	518.367	5.550	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798691	WRHORXCMHXDFIW-YDZHTSKRSA-N	547.413	7.836	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1cccc(Br)c1	408803332	NRCVFGBQKUJUTB-GZTJUZNOSA-N	510.775	5.666	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(I)cc1	408806737	BDFGTJHYNXNEON-YVLHZVERSA-N	654.217	6.168	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC	408814401	PDZLGOGLCHVQGY-RIYZIHGNSA-N	545.204	6.331	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(C)c(C)c1	408818862	YOQIDLHSKGKKCF-FSJBWODESA-N	519.439	6.816	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)c(OC)cc1Cl	408821646	JRTDLKLDJXIYKE-CAOOACKPSA-N	562.247	6.898	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408824822	AXOXESGZJFVMDL-KCSSXMTESA-N	579.078	5.058	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(C)c(C)c1	408827482	DBTVEYIMXKWCSM-JVWAILMASA-N	601.530	8.713	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	408839381	RKPHCHNLXQFRHL-AABVJFSESA-N	661.965	8.011	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1	408842583	OTEVQNYBCMCPEY-RVDKCFQWSA-N	749.778	8.198	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408846735	RGSSDYPIEWTFNF-FFXZQHEYSA-N	703.014	8.351	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1	408853481	UJUSYHVASLJAOB-HMMYKYKNSA-N	501.355	6.866	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1O	408862456	JTOWALHCOYMGLN-UXHLAJHPSA-N	594.487	5.323	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1	408864058	RZTSJGBUPKOMKC-XODNFHPESA-N	547.902	6.382	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1Cc1ccccc1Cl	408865873	FBGHHULSVRLBHX-RGVLZGJSSA-N	509.831	6.864	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1Cc1ccccc1Cl	408873347	PQXXEHNLQVGBMC-LICLKQGHSA-N	544.776	5.795	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(F)cc1	408877048	OWRDUUIGYXAUMW-RQZCQDPDSA-N	504.867	6.631	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)c(OC)c1	408883047	STEMXAJZSYBADX-KEBDBYFISA-N	555.400	5.416	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408886619	KUYMYGCFDIACOY-LDADJPATSA-N	555.328	5.333	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc2ccccc12	408892415	BCMMMKQFIOHDLH-HMMYKYKNSA-N	533.403	5.916	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1	408897671	ZHYOFXWLQRRBSG-VCHYOVAHSA-N	603.800	6.295	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OCc1ccccc1C	408924592	NBYKTYNGTKTQIE-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c3ccccc32)c1	408947635	CTLLPDUOTOAPIX-KQWNVCNZSA-N	501.590	5.336	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408949719	BVUAHPHCOWAVAI-FDAWAROLSA-N	589.287	7.693	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408952105	VJBWJXFFZNWBGB-NDEPHWFRSA-N	627.550	5.457	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1	408974046	WJWCZFMTPHXXCL-QJFLEUTOSA-N	634.560	6.535	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(F)cc1	408988419	HXHBHRVIJGXUOJ-MTJSOVHGSA-N	539.832	7.403	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	409011174	FAFYKLBNOOMYBA-GVFHIIQLSA-N	624.157	5.673	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	409014127	MFGIIPKKRDLZER-CZZVIKJDSA-N	574.461	5.489	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccc2ccccc2c1	409015529	BNXJOUKEZWUGBD-ZMGVVAQMSA-N	577.862	7.744	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccccc1Cl	409015985	QCDGYHAAOLQHFG-NLAVOMPPSA-N	631.000	7.648	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc(C)c1	409019015	VFXKDSRHZKOVBU-CMNDVVQPSA-N	566.098	5.686	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	409027341	ARTMAXRGCZGQLK-OKCVXOCRSA-N	551.068	5.168	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409031850	BRIZHRHZWLGAAO-CLHYIUPASA-N	665.385	8.923	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(Cl)cc1Cl	409032488	JRJFUAXXTXNTLU-XJECJHNESA-N	682.345	8.165	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(C)cc1	409035247	PFHPJJKPELRECC-ZXSNDDASSA-N	515.613	6.952	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1cc(-c2ccccc2)nc2ccccc12	409036484	WGXQVFRSBHHNLS-MUFRIFMGSA-N	541.361	6.596	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	409048417	SWSSKEKEPDMXMD-WOJGMQOQSA-N	513.903	6.230	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409048875	UJFRENQBOATTCA-UDWIEESQSA-N	583.382	5.988	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(C)cc2)c(OCc2ccc(I)cc2)c1	409064466	POFPOLXTVMELRU-OGLMXYFKSA-N	541.433	5.789	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1cccc(Cl)c1	409072406	RUXDHJUPSWCQJR-CIAFOILYSA-N	503.942	6.110	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCc1ccc(Br)cc1	409075100	UIYPYYMFPIAXJI-HYARGMPZSA-N	551.868	7.354	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccccc2)cc1OC	409124675	BHORUEVOPGIRAS-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12	409141704	BMZRXOYNWHJUHD-PQRRUPBVSA-N	625.468	5.797	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccc([N+](=O)[O-])c5)(c5ccccc54)[C@H]3C2=O)cc1	409180538	ZBRSNUQXBVTJTA-ZZTIUFBISA-N	600.631	5.350	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409183956	GVPYTINHOWABGO-WKULSOCRSA-N	534.509	5.378	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	409208037	AJEYFGJBEVXEHP-WKULSOCRSA-N	539.882	7.077	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409211306	MVEMOGPJVJRDIC-LUOAPIJWSA-N	647.614	7.449	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409217512	CQDSSNSMLUPTOL-UHFFFAOYSA-N	632.069	6.000	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409222448	DDJCZOKWNBNJCU-LICLKQGHSA-N	646.825	5.815	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccc(Cl)cc1Cl	409228313	XELDDYMDCIBBEY-YPXUMCKCSA-N	631.323	5.835	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Cl)c(C)c1	409255308	JKZUEYCBYODIDM-JAIQZWGSSA-N	508.405	6.482	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c(C)c1	409258481	XDLUPKNYAMLQNQ-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409268203	RNXMXHGHUATAJK-RQZCQDPDSA-N	548.348	6.884	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OC	409309501	IJRSMMCPXOCPCF-MWLSYYOVSA-N	625.925	5.830	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Br)c2)ccc1OCc1ccccc1	409317747	RQNZMNGMCQKQAA-KYHGBAKBSA-N	579.878	7.033	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1OC	409321048	DXALYBFWEIHPTO-NVJOKUIPSA-N	536.799	5.445	50	40	KKGB	
CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1Br	409322532	LSUJSKRYOMBCDQ-FMCGGJTJSA-N	514.214	5.172	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409324325	SGONFVOHZHBTPC-LQNQUEJISA-N	684.936	5.838	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409367975	KRMXCRCFZVHLAB-ZMGVVAQMSA-N	574.574	6.557	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(Cl)cc1	409372158	FQSFNGQJTUVAHG-WCMJOSRZSA-N	567.867	7.006	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1	409373517	PYRBAALBNLLFNF-WKULSOCRSA-N	507.359	6.093	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(Br)cc1	409374041	JMMMLJYHOIFANK-ZDLGFXPLSA-N	553.254	7.048	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(C)cc1	409374432	POSVCMBHMPUVST-MTJSOVHGSA-N	549.412	6.826	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(F)c1	409391191	HWSHJRVFPUUAED-IUXPMGMMSA-N	521.611	7.647	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c(-c3ccccc3)c2c1	409395783	RRLXPPFDUDXLEZ-UHFFFAOYSA-N	572.415	6.572	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)cc1	409396226	XEYGSWSNKCTDME-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397929	PNZLASONYZILOZ-UHFFFAOYSA-N	582.012	6.599	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409398163	RHHVYDRAMOXLSO-UHFFFAOYSA-N	698.742	7.839	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409403061	LSYLXVJFEJJFRV-WBIBEUCMSA-N	687.547	7.678	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccc(Cl)cc1	409404235	PMSGTJOOFBGUQP-UHFFFAOYSA-N	705.993	7.472	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409410679	ZRUDXVCHQIMUFB-FZKWRIDDSA-N	608.607	6.166	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2cccc(Cl)c2)c(I)c1	1529548806	OERTTXURAXVZIJ-JKYKOXDNSA-N	844.897	6.013	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Br)n2-c2ccc(Cl)cc2)cc1	1755957	FETWCDPLSJLCBD-MZJWZYIUSA-N	540.874	5.901	50	40	KKGB	
N#C/C(=C\c1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3cccc4ccccc34)c(C(F)(F)F)oc2c1	1777211	XKTNHYOIZGLPQM-HMMYKYKNSA-N	511.455	7.145	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)nnc2-c2ccc(Cl)cc2)cc1	1880940	SJQYPPGINQBGIU-KBVAKVRCSA-N	556.095	5.941	50	40	KKGB	
O=C([C@@H](Br)[C@@H](Br)c1ccccc1)N(c1ccccc1)c1ccc2ccccc2c1	3014144	LHOGLIXASJCYPP-ZEQRLZLVSA-N	509.241	7.404	50	40	KKGB	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(F)cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6089762	VWDTXEBNSJBNJV-BXSHPKLPSA-N	544.004	7.079	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	6090203	PFGLPDBPOYUXEK-STBIYBPSSA-N	500.624	6.423	50	40	KKGB	
O=C(NCCCCCCCl)Nc1ccc(-c2ccc(NC(=O)NCCCCCCCl)cc2)cc1	8426881	FBBTYILPPAHTNC-UHFFFAOYSA-N	507.506	7.195	50	40	KKGB	
O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	8440893	FEWYYYBGTVKEFL-GLRXLLHBSA-N	570.967	6.148	50	40	KKGB	
N#CC(C#N)=C(C1CC1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12	9380042	VJZCKEQNVPBUPV-SPQIZYAFSA-N	502.017	6.961	50	40	KKGB	
CC(C)(C)c1ccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1	27023353	PMNMDJWRXVMENP-CYVLTUHYSA-N	504.080	8.139	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl	59117079	GPPJMGFVUBHYDP-GZTJUZNOSA-N	501.797	7.170	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	59856050	CZPFTWRATIJKFF-BIZUNTBRSA-N	545.636	5.367	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(Cl)cc2C)cc1	59857466	HGIQPNDIHIPVCM-HNSNBQBZSA-N	556.087	6.609	50	40	KKGB	
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N/N=C/c4ccc(OC)c(COc5cccc(C)c5C)c4)c3N2)cc1	97948855	AWLYGXKMJFUCBH-VBHJXPNHSA-N	607.633	6.520	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	97959379	NWBVUVUAWRJNEX-KTBDRLKFSA-N	722.363	5.491	50	40	KKGB	
C/C(=N/NC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccc(Cl)c(Cl)c1	97966325	XSJSGHLIOVUTCK-QKEXKMMXSA-N	652.366	7.111	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)c1Br	98001365	FLMAOXACNHSHPL-KXEZBXAJSA-N	720.876	7.166	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C(C)C)cc2)N1	98048637	KGTMXNYEHLSLSZ-HHHXNRCGSA-N	615.077	7.782	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100123558	JSDSZQXTSJQQHA-STBIYBPSSA-N	566.039	5.001	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	100178378	APLRZSGTSULKND-LMMISBPPSA-N	560.053	5.626	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(Br)cc1	100312399	ULVFRHFCQUPQNU-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl	100394949	LEPONHGAQRNSAC-VFBCTUTHSA-N	581.132	5.270	50	40	KKGB	
CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1	100720941	XIFCPPKPGKHOTB-SAPNQHFASA-N	522.424	6.834	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccccc1F	102719416	HBCDHWBLQXXNQF-GDLZYMKVSA-N	556.663	6.158	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Br)cc1	103844958	SXPSKRGLGQIXAM-HAHDFKILSA-N	544.449	6.174	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(I)c1OCc1cccc2ccccc12	108000146	QKRMRUWIYVWMKT-MWLSYYOVSA-N	566.395	5.892	50	40	KKGB	
FC(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342217	QVFMOVHDRZMVNI-UWTATZPHSA-N	742.023	9.022	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217455300	GAVCTEAUCXGDSL-CQJPYTHISA-N	547.080	5.108	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)CC)CC[C@]4(C)[C@H]3CC[C@]12C	253499396	GBVDXIUBLNGDMK-NDFSOEDJSA-N	535.651	9.401	50	40	KKGB	biogenic
C[C@@H](CCC(=O)N/N=C/c1ccc(F)cc1)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	253617035	LYGIRJHOSGMNLO-UTEDSXFSSA-N	512.710	5.683	50	40	KKGB	
Cc1ccc(C(=N\c2ccccc2)/N=c2/sc3c(n2-c2ccccc2)=NP(Cl)(Cl)=NC=3Cl)cc1	263621861	QSLKIWOXCAMIFZ-NLMMQZBQSA-N	544.835	6.888	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)ccc1OCc1ccccc1	408537578	FVHNWPQEPPQLFD-QRVIBDJDSA-N	682.796	8.577	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc(Br)cc1	408542740	KWFKSXOKALEHEY-GRSHGNNSSA-N	543.211	6.562	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1cccc(C(=O)O)c1	408551844	GMVNXZGIWRKYDB-VXLYETTFSA-N	592.471	6.093	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408552143	OPQHFOPTSBJWRJ-UHBFCERESA-N	528.436	6.126	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	408579269	FPIXUOFDBLEZNP-VXLYETTFSA-N	514.803	6.771	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(OCc2ccc(I)cc2)c1	408602779	DQAPAKFLYSFBRP-RCCKNPSSSA-N	548.428	6.657	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1	408604902	JCBPCKHOQFZUSI-RWPZCVJISA-N	524.415	5.132	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3c(F)cccc3Cl)CC2=O)cc1	408609426	RGZGEBUVGQJMLA-HNNXBMFYSA-N	518.372	5.216	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1C	408637323	IJYNPFAECXPRKE-QFQXNSOFSA-N	540.443	6.526	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408639826	GDSWRRPBPZSMSC-XPGKHFPBSA-N	752.865	5.578	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(I)cc1	408711666	DOMSTWPZEZQDSD-KBKYJPHKSA-N	648.520	6.813	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc([N+](=O)[O-])c1OCc1ccccc1	408738962	XIYRIEKJDLXNCH-IXLGETPNSA-N	594.668	5.605	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccccc1	408742430	OXLSZYNSUKNRHG-NDENLUEZSA-N	505.315	5.288	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c1	408745296	LFHSRQMQOIQKKE-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408763256	RWOMSHRXNMXKLQ-XDHOZWIPSA-N	541.423	5.388	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc(C)c3)cc2Br)cc1	408792727	BRWDDOWJPGMQFW-CIAFOILYSA-N	535.394	5.677	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408794580	JSAWGNQWWXLSPY-DEDYPNTBSA-N	613.249	6.190	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2cccc(Cl)c2)c1	408802666	FWNQFSRPDXKMAD-KOEQRZSOSA-N	525.004	7.052	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2C#N)cc1	408807355	BXHIUMFUMLSYJZ-UUYOSTAYSA-N	502.368	5.132	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1cccc(Cl)c1	408811068	NJBJFHOWNVPRKQ-DJKKODMXSA-N	607.275	7.430	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408820165	VSJAQKSNCXJDDX-WQRHYEAKSA-N	587.345	5.862	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc(C)cc1	408823191	MYYRCHLTRMUTQB-MFKUBSTISA-N	664.927	7.965	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408826125	SVFQOIMYXROTPL-JWGURIENSA-N	624.944	6.941	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccccc1Cl	408828787	WAWBGMGYCWELST-LICLKQGHSA-N	515.766	6.375	50	40	KKGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	408829243	ORSLAKKIFMXBDH-PKAUSJRUSA-N	559.844	5.871	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cccc(Cl)c2)cc1	408833872	WEFIYIMAPIJVTI-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408836549	SJWUKLMYPKCFBG-XSFVSMFZSA-N	521.798	6.239	50	40	KKGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408838767	IEAXVLARYJELON-KKMKTNMSSA-N	530.806	6.473	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408840399	BEFOBFDUGDUHKO-ZISVIYDVSA-N	614.510	7.843	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)c4nc5cc(C)c(C)cc5[nH]4)c3C)sc3c2CCCC3)cc1	408843649	GVWCPRQSOLLDEO-UQQQWYQISA-N	559.739	8.152	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Br)cc1F	408846327	IRSKOXOPDHLFSO-RAWMCFOBSA-N	533.195	6.268	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408853053	KYFVAYZEZIPOBU-XKJRVUDJSA-N	586.697	6.916	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408858992	VGZPDYJLKXMSPD-KDHRXPGNSA-N	600.118	8.611	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1	408863054	ORHGXQGBQMADHF-SBWWSWLISA-N	667.187	7.150	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	408871935	ZURIUWXATBDAAP-MTDXEUNCSA-N	514.047	5.173	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(Br)c1	408895492	KVHHGFRPGOBSPX-CXUHLZMHSA-N	582.123	7.780	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccccc1C	408897070	QJCKCFBARMOZIB-YBFXNURJSA-N	521.367	5.589	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1cccc2ccccc12	408905277	WNLHATDDKQJJLW-ACXHZZMFSA-N	611.334	7.807	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c(C)c1	408910342	KEBGNHRPYBARTJ-OCSSWDANSA-N	518.455	6.242	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1	408937488	JNHQZMADSQYRHM-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1F	408951102	LFFPBKVJXWJWHF-XKZIYDEJSA-N	517.988	6.204	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)c(OC)c1	408954836	NPPXCIBHJDXCLX-CJPARAFHSA-N	713.557	5.295	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)c(OC)c1	408958158	XKUJYIDVSALFSP-CJPARAFHSA-N	713.557	5.295	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)cc2)c1	408978026	GSDWYBWUAYTGPV-NXENVEDLSA-N	517.626	5.134	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(C)n1-c1ccc(Br)cc1	408978769	JYOMKGBNSPRRGE-QUCVJYLXSA-N	569.500	5.417	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(F)c1	408981702	COZDGPIQXXDERV-NHDPSOOVSA-N	539.832	7.403	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(F)cc1	408985472	XACQLFCABZXOPX-ZDLGFXPLSA-N	576.793	6.525	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	408995399	CGVBIFZUIJOLPK-BIZUNTBRSA-N	586.442	6.083	50	40	KKGB	
O=C(N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)OCc1ccccc1	409000587	XSJAGIJLEFJQCA-OHCUMCKCSA-N	702.595	5.167	50	40	KKGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	409014410	PMNVOBLOLDIRCR-AUGOTPMTSA-N	584.676	5.813	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OC	409015389	ZONDUEOMNVJGIK-GZIVZEMBSA-N	563.573	5.234	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc2cc(Br)cc(I)c2o1	409015817	BOFIHZHHKPQDOW-UVHMKAGCSA-N	569.196	6.870	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2cc(Cl)ccc2o1	409021847	BUOOCXVHSBLZTF-ZRGSRPPYSA-N	528.746	6.100	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1	409042425	KSIVCCCETFABQS-UCMJSZAQSA-N	546.583	6.552	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1cccc([N+](=O)[O-])c1	409050362	VAWBXMSDIAQOAH-MZFJOGFUSA-N	532.556	6.162	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409059317	WKBIAOORNAWXKK-RWPZCVJISA-N	562.917	5.567	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409082509	JJBXMRXDIBARRP-LDADJPATSA-N	557.912	7.342	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	409082625	QKLUNSZEJJDMKM-YSURURNPSA-N	514.150	5.420	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	409139707	DLGQYEDQRZDPGF-FYFIDXDESA-N	580.422	5.606	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccccc3F)c(OC)c2)C2=C1CC(C)(C)CC2=O	409148930	UQJJRIFGQUOMEZ-VWLOTQADSA-N	584.486	5.558	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1	409154836	PDWKWEYHNRJWDU-KBVAKVRCSA-N	551.043	5.242	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409175100	PUMYGDUNWZJZHP-VPUKRXIYSA-N	584.243	5.415	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	409184780	NMXGABLZEGREJP-XKJRVUDJSA-N	633.323	5.399	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409217405	UIFUKMPKPXFIKK-YVLHZVERSA-N	504.167	7.307	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409222386	CAQFKJWYSAQPIZ-LJUMEUDFSA-N	532.383	6.229	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409225636	QIGBVHIXHYFBDA-UHFFFAOYSA-N	768.178	8.228	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c2)cc1	409226531	UODLUFAZHARXBA-UHFFFAOYSA-N	625.273	6.348	50	40	KKGB	
O=C(Oc1c(/C=N\NC(=O)c2cccc3ccccc23)cccc1[N+](=O)[O-])c1ccc(Br)cc1	409227323	XOTNBIDWNCHFLQ-DICXZTSXSA-N	518.323	5.494	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1OCc1ccccc1Cl	409241044	WQLNUBIXRYRSMN-XOASYVKCSA-N	501.026	6.831	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1	409247732	AXUJDJCTNSXAGF-WQRHYEAKSA-N	645.837	5.303	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)CC2=O)cc1	409254585	XUVZCIHDJNIOKO-PFDMLYSTSA-N	542.419	5.093	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OC)c(OC)c2)ccc1OCc1ccccc1	409310844	CDMFFRKUMOGKTP-DICXZTSXSA-N	513.388	5.208	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409312125	CZIDQVPZOCAMIS-CAQPMQTCSA-N	643.943	6.612	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OC	409325759	ARQFGIQDAAKACG-UHBFCERESA-N	618.322	6.527	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409337531	YQKLGMLRSPFHAM-PMACEKPBSA-N	525.841	5.717	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)cc1OCC	409394559	CEGRCGDYTORWEX-UHFFFAOYSA-N	848.770	9.565	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)c1	409394965	IDUPZQNEMCRTOY-UHFFFAOYSA-N	649.314	7.791	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409396855	BZYHRFYTLYAEHD-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(I)cc4c3-c3ccccc3)cc2OC)c1	409397284	IHWTXHZSLSFBGE-UHFFFAOYSA-N	645.453	6.440	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1O[C@@H](C)C(=O)O	409400409	CVNDBZRFLXRNPY-GYJUCFALSA-N	624.488	6.043	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1O	409403482	NDJQHBSBJCLSGI-MUXKCCDJSA-N	538.398	5.507	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC	409405324	SUUONVFVVHMHGA-MZFJOGFUSA-N	527.621	6.166	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)ccc1OC(C)=O	2321321	XOUGEVXZVQOZFR-LGJNPRDNSA-N	538.676	5.160	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	12250130	DPARYCWFGURTBJ-AREMUKBSSA-N	512.635	5.911	50	40	KKGB	
C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1ccc(I)cc1	16137060	HSPBROCMAXCDIX-JVWAILMASA-N	512.351	5.169	50	40	KKGB	
Cc1ccc(NC2=NP(c3ccccc3)(c3ccccc3)=NC(C(Cl)(Cl)Cl)=C2C#N)c(C)c1	33353443	NHECYTANGPOSNT-UHFFFAOYSA-N	513.796	7.043	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	58917198	PQNWUQMBVOVAKE-RCXROOBYSA-N	502.083	7.188	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	97960637	QODBOBMHQYXOMP-HYARGMPZSA-N	700.314	7.572	50	40	KKGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1OC	97962903	WSFIVDMGFBSNPH-AOSMFKINSA-N	653.533	5.347	50	40	KKGB	
CCCOc1ccc(/C(C)=N/NC(=O)c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1	97981202	HBKUMVUCJJDYNT-INKHBPHZSA-N	555.700	6.021	50	40	KKGB	
CN(C)c1ccc(/C=C/C2=[N+](C)c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3C2(C)C)cc1	97983189	JKSPAHMZBOUDOT-UHFFFAOYSA-N	505.622	6.111	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)NC(C)=C1C(=O)Nc1ccccc1	98000004	AVADHHDQOVNQDZ-NDEPHWFRSA-N	559.091	6.445	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccc(Br)cc1	100042455	NNFTWYQATFRBPZ-PPDIBHTLSA-N	596.659	5.622	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1Cl	100129093	LWLLTAUSKCPZPI-LJUMEUDFSA-N	613.965	5.851	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	100332320	JZZWBHLBLHKMBS-KBVAKVRCSA-N	626.091	5.019	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(Br)cc1	100853705	FXYCTEOSEFFVGV-JFLMPSFJSA-N	541.862	5.378	50	40	KKGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nc2ccccc2c1=O	100858518	PSYWZDQCVFFPFD-KKMKTNMSSA-N	602.308	5.167	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl	101305450	XBDLPMNYOQGMSV-SANMLTNESA-N	578.521	7.070	50	40	KKGB	
C/C(=N/NC(=O)c1cccc(COc2ccc(C)cc2[N+](=O)[O-])c1)c1ccc(OCc2ccc(C(=O)O)o2)cc1	102006263	DEHVTRQDUNWBCF-FSGOGVSDSA-N	543.532	5.506	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)NC(C)=C1C(=O)Nc1ccccc1	102718547	HSNYZBZNWNRGFP-NDEPHWFRSA-N	593.536	7.099	50	40	KKGB	
O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O)c1ccccc1OCc1ccc(Cl)cc1	102921606	QHBRSOZSEOHDIA-FQEVSTJZSA-N	552.336	5.158	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)c1C	104075394	LVZVCENKCHFXJB-HKBQPEDESA-N	549.696	7.524	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	104402981	HJBUVRUDXAAVMP-RWPZCVJISA-N	576.285	6.352	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341948	IMWCMCXEIHVBOS-QFIPXVFZSA-N	754.538	13.351	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	162481998	CINBDDRASQMKML-VTNSRFBWSA-N	687.956	5.944	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1ccc(C(=O)O)cc1	408541122	DWECAPADVMMQKF-NVMNQCDNSA-N	594.630	7.048	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408549966	ACKGHHZFFXFEGZ-NNOOIMGWSA-N	579.189	7.100	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550762	JRJPHMQGOQOSML-CIAFOILYSA-N	558.490	8.083	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551037	AGMUZEHBRFUSLP-WOJGMQOQSA-N	536.426	6.525	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554144	ZTRAZZFLJUEPBZ-RQZCQDPDSA-N	546.794	7.035	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408570947	ZRIRPEUWTSREIJ-XODNFHPESA-N	578.499	6.488	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)c3ccc(Br)cc3)cc2Cl)cc1	408579401	GYPHJGZXSBNVAO-LICLKQGHSA-N	523.235	6.896	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(Br)cc1	408675809	BCYDNWMTVVUECS-OGLMXYFKSA-N	508.416	5.401	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408685334	PBTQZBLFYPHTQX-SEXKYXSUSA-N	633.562	5.582	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccccc1Cl	408724638	GOFHKTOWKKGOPN-MHJSSWIHSA-N	519.867	6.357	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)nn2-c2ccccc2)cc1	408728103	ZTOAVAFOFZXUTC-FMFFXOCNSA-N	521.020	6.844	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)ccc1I	408746738	GJVHJQWETIAUFG-LUOAPIJWSA-N	634.095	6.712	50	40	KKGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408761291	DTEGMFBCBNDNCY-KKMKTNMSSA-N	528.421	5.130	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(C)c(C)c2)cc1	408777006	TVQSZQTVOXXRPI-UHFFFAOYSA-N	511.732	6.584	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc(F)c1	408779099	REOPEKAGTWPEBI-KQWNVCNZSA-N	564.455	5.822	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408788356	CKBHTJADMGSMEZ-KEBDBYFISA-N	574.302	7.896	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408791087	SZUUPJITYXYXMI-DJKKODMXSA-N	515.824	7.397	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cccc(F)c1	408792011	GNVAITBNECRLNP-FRKPEAEDSA-N	597.211	6.870	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1	408795240	KQSPKZAYNWMTGB-LZYBPNLTSA-N	628.091	7.485	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OCC)c2)cc1	408796287	NOHYPMSVVXHSKG-YDZHTSKRSA-N	529.980	5.912	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798153	UWCNAFJNCDNPSR-WPWMEQJKSA-N	715.385	8.911	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408809617	IHXIJYSDPZYNND-NDENLUEZSA-N	569.355	5.010	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccccc1F	408813913	FCBGAUUYCSVUAL-SXGWCWSVSA-N	575.188	6.384	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1cccc2ccccc12	408815859	SQJGNFQZHGLMTH-MYYYXRDXSA-N	618.471	6.654	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1	408819941	ZLRVXROJPIOAFA-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408822471	CCDMXZSSPDRRCM-SSDVNMTOSA-N	768.262	10.007	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OCC	408832243	RSDBMLUZZKTRKG-KGENOOAVSA-N	565.851	6.638	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408840292	AIFUTLHABNEOIK-QNVXDBMFSA-N	682.427	8.975	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1cccc(F)c1	408850753	DUHGHNRGJQCOSZ-LRIZEKIPSA-N	573.668	7.672	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccc(Cl)cc1	408852474	LGHIUAAZDZHTRG-PNQUVVCRSA-N	607.903	6.439	50	40	KKGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408859850	ZXTMITRJMPCWQT-RMORIDSASA-N	500.201	6.029	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408873358	UEXPFLKWQNKHSQ-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408874739	GBIWIKKPYLVGFA-DEDYPNTBSA-N	506.356	6.044	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408880060	GUPIFCWJKRMVAB-ZVHZXABRSA-N	580.466	6.994	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3cc(C)cc(C)c3)c(OCC)c2)cc1	408881037	LJTPDNDUEDQGEN-ZVHZXABRSA-N	561.476	6.778	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OCc1ccc(C)cc1	408891143	MFFNXGVWYCQEOG-VCHYOVAHSA-N	593.248	7.040	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2OC)cc1	408891619	UBRPHDSGJQCBEI-VIZOYTHASA-N	621.227	6.446	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OC(=O)c1cccc2ccccc12	408893889	OCHAPOIUTPMUHT-XSFVSMFZSA-N	620.297	7.447	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccc(C)cc1	408896538	OGBYTXGPCSSYEU-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1	408896580	SDYBQKOWHYVGLV-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1C	408922035	DMVSWKCQFWLPGN-KKMKTNMSSA-N	569.226	6.258	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OC(C)C	408934062	CLXGVBDWMSRLMN-MZFJOGFUSA-N	516.041	7.056	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(C)cc1	408952476	NYLUYZIBADTMEO-OYKKKHCWSA-N	514.025	6.373	50	40	KKGB	
CCCCOc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1	408964141	PHDNBZUUXFMEEY-OOHQMJCBSA-N	556.490	5.817	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccccc1F	408964403	GSNSHEVSAPHAIA-XODNFHPESA-N	556.344	5.984	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)c(Br)c1O	408964462	RTBWYWGTKXSLEG-LIMNOBDPSA-N	510.104	5.099	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408969030	GAHQIQMDUNCJLA-JDIKJQABSA-N	556.490	5.673	50	40	KKGB	
COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1Cl	408971372	JGAVOIZSSWIBGG-DHRITJCHSA-N	535.769	5.688	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	408971623	KMNBURXPQLZPBR-AWOPPJMQSA-N	696.462	8.257	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408971952	MRWXROXCMVJFFO-SVKSQGJZSA-N	679.439	7.102	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408973156	ZGVACSBPTZMIHP-OZHFBSLVSA-N	584.500	5.602	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028598	PXWQQHSTWDPWEM-UGGDBLJYSA-N	572.470	6.351	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409031320	APTYWDRJYWLFKN-IDWIKUEFSA-N	586.489	8.160	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(OCc2ccccc2)cc1	409039435	WNYYDRNHOSUCTF-GUBAARJWSA-N	550.662	7.652	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409040703	UDNAHWNBCBFBID-DPNNOFEESA-N	570.874	7.661	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409072060	AOVIZXIWFMRFEU-PXLXIMEGSA-N	501.514	5.986	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(I)cc1)S(=O)(=O)c1ccc(Cl)cc1	409110807	YWXXTYKKYITYIF-WPWMEQJKSA-N	611.889	5.079	50	40	KKGB	
Cc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409119211	RPKBDSYWJNIGII-UHFFFAOYSA-N	532.150	6.929	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Cl)cc1	409129012	LOSQIHNBTGJNII-SANMLTNESA-N	661.968	6.305	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OCC)c2)cc1	409157344	VGFRQLCYYAQRKB-VTNSRFBWSA-N	579.053	5.027	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	409162909	JLICGQAMQISOCP-LDCYPDTQSA-N	566.395	5.216	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1	409163010	KQOXPAKPOTZSCH-FJEPWZHXSA-N	554.455	6.659	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1	409172832	FZHQODTVZFKEKX-KVSWJAHQSA-N	578.250	5.171	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409223061	GDNQLYZJYSOGLO-LQNQUEJISA-N	542.935	5.484	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	409223223	GABLTBOUKSRWME-JNYYSSQHSA-N	598.999	5.892	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409239424	NHSMHDVVJAMAQO-JLPGSUDCSA-N	532.040	5.721	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409254351	YXQXLFAIWCKQSE-JAIQZWGSSA-N	640.434	5.778	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	409256290	NDOYYOKEDPGPTM-XESQOAJGSA-N	500.357	5.215	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1C	409257681	RTXQRZCMEPFYGL-ZDLGFXPLSA-N	617.725	7.045	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)c1	409257947	VBEJLUAHASWCIC-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409267212	UCOYJUZBZFELHL-FUSDPXDGSA-N	526.818	5.185	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OCC)c2)ccc1OCc1ccccc1	409312123	CYKHZDLDTQANPJ-KMUKQRDJSA-N	684.958	7.664	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1OCC	409315761	JULSRZBCLKNKLA-RHANQZHGSA-N	552.425	5.194	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OCc1ccccc1Cl	409318482	YJWYSHHQSHFBFH-HMAPJEAMSA-N	565.838	8.140	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409394784	FVHOBXWVNLOKGZ-UHFFFAOYSA-N	811.190	8.966	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1	409395244	LLIFSCIDSGCTTN-UHFFFAOYSA-N	568.427	6.589	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)cc1OCC	409396308	XPEZBUBBRBEPAV-UHFFFAOYSA-N	808.738	10.101	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(F)cccc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396475	SBVQYJKYUBEZOR-UHFFFAOYSA-N	644.099	7.807	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)cc1	409396538	YXIHCZQSJYAGSR-UHFFFAOYSA-N	519.557	5.835	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409397345	IXCUMIOGZGTEDI-UHFFFAOYSA-N	587.554	6.854	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397843	OODOIXRUIZKZEC-UHFFFAOYSA-N	698.344	8.128	50	40	KKGB	
COC(=O)COc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409403377	MMFXQZKCHOETEW-LPEPFOFCSA-N	644.906	6.006	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1cccc(Cl)c1	1529548297	CCOVNCNHNAVCOX-JKYKOXDNSA-N	706.446	6.220	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1	1790182	QNNVGRVICDDQTK-CKVBZJJFSA-N	556.844	6.307	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1	2190153	QBPOSRBQXCQYDD-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	2202373	WEBQPCRPTGEMBS-VWLOTQADSA-N	530.049	6.108	50	40	KKGB	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1	2451048	PUSGFHQEHMFJQT-UHFFFAOYSA-N	582.524	5.627	50	40	KKGB	
COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](OC(C)=O)(C(=O)C(Br)Br)[C@@]3(C)C[C@H](C)[C@@H]21	4288083	CQPHZFNOXSLULF-ZIHXKYQRSA-N	542.308	5.784	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2C2C(C#N)=C(/N=C(\Cl)N(C)C)SC(/N=C(\Cl)N(C)C)=C2C#N)cc1	8398435	BROMNSLZDNPUJA-YESHOFFLSA-N	603.557	5.376	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1	8916086	WEKYDHLLRPCGMM-STBIYBPSSA-N	510.107	6.644	50	40	KKGB	
N#CC(C#N)=C(C1CC1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]12	13597147	VJZCKEQNVPBUPV-QGAYDTHSSA-N	502.017	6.961	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	15018669	SFVFCOZUFKTXRW-CCVNUDIWSA-N	500.898	5.127	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)c2ccccc2)N1	20029147	SAZSSKWASTYUMV-MHZLTWQESA-N	515.034	6.395	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	20171818	SOHHNXLEJVWJJV-VWLOTQADSA-N	502.571	5.434	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1	32125004	NHGUQJGBCXAAAQ-MBTHVWNTSA-N	501.951	7.063	50	40	KKGB	
COc1ccccc1-c1c(C#N)c(N)nc(SSc2nc(N)c(C#N)c(-c3ccccc3OC)c2C#N)c1C#N	35973866	LMOBJISEOIZQSR-UHFFFAOYSA-N	562.640	5.278	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1O	97960453	BIQSOGNVDSTKES-OPEKNORGSA-N	538.623	5.914	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1	97981198	IQOHFWQXAYRBPL-PPOKSSTKSA-N	565.617	6.251	50	40	KKGB	
CSc1ccc([C@H]2C(C#N)=C(N)N(c3nnc(SCc4ccc(Cl)cc4)s3)C3=C2C(=O)CC(C)(C)C3)cc1	98006070	VUGMLWXNYVIQLW-QHCPKHFHSA-N	580.204	7.147	50	40	KKGB	
Cc1ccc(CN2c3ccccc3C3=C([C@@H](c4ccc(Br)cc4)C(C#N)=C(N)O3)S2(=O)=O)cc1	100032506	QNMHGYTUHDHBAQ-QHCPKHFHSA-N	534.435	5.284	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4C)c3C)cc2)S(C)(=O)=O)cc1C	100119718	MMPMPODTIYTXOS-BIZUNTBRSA-N	542.705	5.750	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)c1	100122885	TUWCIFOKYSEFJJ-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1	100136541	PTBJZOJRJYSKTF-ZCTHSVRISA-N	531.609	5.059	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)o2)cc1	100210987	QIXXUAAYODBEMT-FDAWAROLSA-N	580.062	5.507	50	40	KKGB	
N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1	100836888	MLQBXZUHDUMLCQ-AEPTXUNZSA-N	528.848	6.712	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	100878824	JSUJGZMWEORPPP-MHWRWJLKSA-N	514.821	7.500	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccc(F)cc2)N1	102073495	CKOODMVSAJJNAO-HHHXNRCGSA-N	532.040	6.738	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2cc(OC)ccc2OC)=C(C)N1	102808747	BDZAMKKYVAVGKL-NDEPHWFRSA-N	574.659	5.402	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccc(Cl)cc1Cl	102932779	VDNHCDLMHVXXIW-RQZCQDPDSA-N	528.348	6.131	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)c1	102934532	IMVOLSYRWNAAHO-GIJQJNRQSA-N	594.225	7.664	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)c1	103896057	HQERGWNEINGBFG-PPOKSSTKSA-N	579.678	5.773	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	150385558	HXIAOKBQKKBYMD-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1cc(Br)ccc1O	150420723	VEDNUHHDPBDQNR-IGTHXMFTSA-N	637.446	5.030	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2OC)ccc1OCc1ccccc1	408538769	QPPKZRADIIMTFW-ZVHZXABRSA-N	617.471	7.309	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)Cc3ccccc3)cc2OC)ccc1OCc1ccccc1	408538790	BRXCZOTZDXNQOR-APTWKGOFSA-N	545.035	6.208	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	408539844	ZLMJLFZQHYSASG-IWIPYMOSSA-N	614.452	7.070	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408555878	ZGYMEBYTEDOXMB-VCHYOVAHSA-N	593.459	6.303	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1	408650660	MOVQGVHJOQQCHG-XFGZQFJRSA-N	728.821	5.886	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408680326	GDGYSOSTLLAJKP-FPCVCCKLSA-N	623.556	6.126	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	408683040	MHOUNSYTTGAUGK-BQLFOJHWSA-N	566.677	5.183	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1	408719232	AIFRSSRVUBZAJF-JFLMPSFJSA-N	533.875	6.323	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)c1	408742806	CBTYLMHCEZWURH-LSCVHKIXSA-N	570.237	6.373	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1	408743045	YWUTZGPZYBMVBI-AUGOTPMTSA-N	534.663	7.983	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745351	MBOMLIQFXPUSSV-PXNMLYILSA-N	520.185	7.020	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)ccc1I	408746977	IVKIPEKNOCLHCT-AMVVHIIESA-N	605.259	7.103	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc(I)cc2)o1)C(=O)Nc1cccc(Br)c1	408760429	YNOTXQBOWGVMFF-UVTDQMKNSA-N	519.136	5.859	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OCC	408777284	XNGBILDKIKFTDQ-RGEXLXHISA-N	545.421	5.647	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)c1	408797495	SCYWSPKNNUIVMX-DJKKODMXSA-N	605.245	6.934	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(I)cc1	408813185	PXRIEKQDESELCZ-UCQKPKSFSA-N	643.319	6.593	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1	408814286	SKWBSCSHMXWODJ-FZSDHLTPSA-N	613.161	8.857	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	408829055	NVGJQUSBAZWQPY-RDRPBHBLSA-N	521.042	5.093	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(F)cc1	408830006	RJPABHMTZCAMJN-PGMHBOJBSA-N	550.011	6.009	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408830539	GEGHKMLXOXZFMJ-LPYMAVHISA-N	653.316	8.368	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1	408830777	SSIFXMJALBFZAA-QXUDOOCXSA-N	614.724	5.060	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1	408831634	RIUZAUIZLGSUFU-CCVNUDIWSA-N	639.366	5.024	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408833808	ZARSKLMJCRLBKJ-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408840320	DLIGGTVYINSLTN-PONZDJLKSA-N	643.902	8.146	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(Br)cc1OCc1ccc(Br)cc1	408842793	BKSYUZHTWVUNCX-IPBVOBEMSA-N	706.023	7.184	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccccc1Cl	408847363	VGZBFKREWMTXTL-IIHBXENTSA-N	609.457	7.493	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408848116	PSRMHJGLWPSHLH-YBFXNURJSA-N	547.674	7.907	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccccc1C#N	408849667	ZWJWHIVPHIXQMA-RQRWGXNHSA-N	687.019	8.583	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccccc1F	408851746	NKNFPZAIFZJBKC-MTJSOVHGSA-N	548.412	5.923	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408852772	WGYWTQWCYAWISZ-NXENVEDLSA-N	593.061	5.284	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408862050	WSQUNEGSQBEDMZ-XODNFHPESA-N	615.333	5.260	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2cccc(C(F)(F)F)c2)cc1	408870143	RZERDKJYCUNJTN-ROPCREHHSA-N	610.441	6.926	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccc(C)c(Cl)c2)cc1	408876162	NDSFHBPCTYAUBR-LQKURTRISA-N	514.047	5.090	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(C)c(C)c2C)cc1	408878021	YXHMSWBWWORKQD-UZWMFBFFSA-N	541.673	5.780	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OCc1ccccc1Cl	408899983	SBJXFWAIHOCLQA-LICLKQGHSA-N	627.693	7.775	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1	408906695	JQVGSTONQQDTOL-ZMFRSBBQSA-N	531.248	6.563	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)c(OC)c1	408957275	TVPLMOZYDSLHNY-HLOVGQHQSA-N	780.470	6.673	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408972112	SCPHFJBWRRZUQR-AMUKHSJYSA-N	669.403	6.980	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1	408978568	JDWHABZFOBTMAK-FHMVRKCGSA-N	507.590	5.286	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409014877	QDNKCKDZJSMVSD-ALQBTCKLSA-N	538.648	5.339	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409017007	UUHAOHHSXRCYJA-HCBMXOAHSA-N	670.479	5.532	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl	409017503	RVAMNDPFOHFCSW-ZYMKGWJUSA-N	514.453	6.230	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1	409030750	FDJWLECMDNUBAN-XAGMDCAKSA-N	569.661	5.371	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Br)cc1	409041289	UMOPFAJNRXHILB-OHUYPAJKSA-N	580.438	6.705	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)c(Cl)nc2c1	409119756	QEUPLZFVQVDQRP-FJEPWZHXSA-N	571.486	5.513	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1Cl	409140270	QWMVTZBKEPKGGV-XJECJHNESA-N	674.534	5.837	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409146027	RNSRAYZTTAQKMS-KKMKTNMSSA-N	615.547	6.899	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409212394	LUYPLDHHHHVMDS-MFOYZWKCSA-N	504.167	7.307	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409215870	BVAFWKXFUZNMQO-VFLNYLIXSA-N	641.890	5.742	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	409217799	WSFNLUJZHRWEKS-GRSHGNNSSA-N	509.312	5.707	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	409222166	BXYFHPIQESOONS-HQDYHJHZSA-N	602.043	5.910	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409222854	DLLDLZSFIOZFAP-UDWIEESQSA-N	615.855	5.584	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc(Cl)cc3)cc2)cc1	409224826	MGJHNINIVQVZNV-KYHGBAKBSA-N	546.410	6.537	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409224881	NOFDOCRWLJVFKP-GZTJUZNOSA-N	572.818	6.203	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cccc(OCC(=O)Nc5cccc(C)c5)c4)cc3)cs2)cc1	409252671	DFELMVKYJSBAGC-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1OCC	409304511	RRWQVYOHHUSSAT-WKIKZPBSSA-N	563.350	6.163	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409333142	IXBNLCWZJQWOTA-RTWAWAEBSA-N	582.893	5.464	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	409360828	NPCVFGYXDJLTDC-ZMFRSBBQSA-N	561.230	5.700	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409367548	FDAWCLPMMAUKCE-KVSWJAHQSA-N	565.251	6.066	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409385590	LRYXRZIOAFEWGW-RPPGKUMJSA-N	632.392	5.674	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2Br)c1	409387396	WLNAAHJIWXALHV-LGJNPRDNSA-N	524.396	6.223	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395291	LZEYIMNTHYVFCW-UHFFFAOYSA-N	691.796	9.694	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)[nH]c12	409395765	RMHOQBGJEORPDM-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)c1	409396093	WJKPPNDGECPERI-UHFFFAOYSA-N	695.795	8.313	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397311	INIDAXQRDMIKRH-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Br)cc4c3-c3ccccc3)cc2OC)cc1	409398003	QAQFZAZOTGTXAG-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccccc1	409403467	NCEAPIXQRXFZSE-FZKWRIDDSA-N	594.624	6.526	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	1529547019	IFKUJGZFAMVAEA-AJXABOPQSA-N	672.547	5.366	50	40	KKGB	
C[C@@H](C(=O)OCC(=O)OCCCCCC(=O)OCCCCBr)c1ccc2cc(O)ccc2c1	2060999759	DCWMCTBLSXXUDY-GOSISDBHSA-N	523.420	5.014	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)Cn3cnc4sc(C)c(-c5ccccc5)c4c3=O)cc2)cc1	1783949	LTGZNENWTPOKPV-KPGMTVGESA-N	522.630	5.471	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccc(C(C)(C)C)cc1	1834821	DANOBRGXILYHJH-NDZAJKAJSA-N	513.667	6.297	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)ccc1OC(=O)c1ccc(Br)cc1	2297650	LPENMZCIGBDKEO-LGJNPRDNSA-N	517.763	5.190	50	40	KKGB	
O=C(/N=C(\C(Cl)Cl)N1CCSCC1)ON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl	2577750	HRSTZEVJGYOTMP-VFCFBJKWSA-N	557.277	6.576	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc(I)c1O	3102997	JIWBJFNKMFOEPZ-WYMPLXKRSA-N	553.194	5.004	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)cc2)sc2c1CC[C@H](C)C2	6167108	UCCBOHMWGYLALJ-FYQBWGGCSA-N	623.728	5.245	50	40	KKGB	
CC(=C/c1ccccc1)/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1	9272549	AKQIQWSAQZDFJQ-GDUAQKAQSA-N	502.043	6.194	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C)cc1	12556018	OSTBBCYALCOILL-GIJQJNRQSA-N	512.349	6.343	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1cccc2ccccc12	16688598	FEGLIEHQEIYPSR-HMAPJEAMSA-N	500.957	7.156	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccccc2C)cc1	20059078	SHDGXCYYIZOZCX-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1	33775306	LGYBDYRTNCZRLK-UQQQWYQISA-N	522.626	7.025	50	40	KKGB	
Cc1c(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)oc2ccc(Br)cc12	51103576	PAGOFVGSOWNBNV-UHFFFAOYSA-N	535.423	5.747	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	59855653	ADUBEXZWOCIGES-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)c2C)c1	100127179	IDLQSJNGVXAYQS-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1	100845358	NLDGPVGMFYDRPS-FYAMCCBRSA-N	532.021	5.582	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(Br)cc1	100852058	FXMSBIVRYXNBAP-QRQIAZFYSA-N	554.901	6.291	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(OC)c(Cl)cc3OC)NC(C)=C2C(=O)Nc2ccccc2)cc1	102463207	GJGHHQBAUJUQOG-SSEXGKCCSA-N	619.143	6.462	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]12	102673914	QQPIYUDJYPYGNB-KMKAFXEASA-N	503.605	7.180	50	40	KKGB	
N#C/C(C(=O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)=C1\Nc2ccccc2S1	102957025	NLJAENLQVKKIPQ-QOMWVZHYSA-N	542.414	6.343	50	40	KKGB	
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(/C=C/c1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccncc1	104292343	BLTDODXXLCRXRD-DVPQOGMGSA-N	611.687	7.122	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342277	XOICIGZTMAACTH-UWTATZPHSA-N	892.044	10.928	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	150438752	RFMNQEXYWIYUIT-RAMZYJDASA-N	625.990	7.759	50	40	KKGB	
Clc1c(Cl)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c(Cl)c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	195530681	HXIDDIWZHYAWPO-UHFFFAOYSA-N	766.516	11.288	50	40	KKGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	195804636	YZHKRXBIMOGRMG-ZNNUDVHBSA-N	610.037	7.109	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	226691429	YFWOQBGFDUWONH-SCHSLFAESA-N	564.085	5.819	50	40	KKGB	
Br[C@@H](CC[C@@H](Br)[C@H](Br)c1ccccc1)[C@@H](Br)c1ccccc1	245239042	DULGBCUTCPPZQP-USTZCAOPSA-N	553.958	7.566	50	40	KKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl	408538985	DAZNLYRDIOBXOW-MNBJERMJSA-N	529.464	7.304	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550307	CNCWZILUXPILJW-CXUHLZMHSA-N	607.263	6.857	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	408551252	JSQCLAWLIUOJRS-VIZOYTHASA-N	626.088	7.508	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(I)cc2)c(I)c1	408569503	OHWJTMNZMBXHRV-CCVNUDIWSA-N	716.404	6.483	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408599077	OJGJWQFEJVUHMF-LSCVHKIXSA-N	584.668	8.293	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2cccs2)cc1	408644112	GVTFMRUBAPNNMA-LIPVWZTLSA-N	720.823	5.639	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408676672	MCMQRPJMSILBNB-LQKURTRISA-N	600.413	5.151	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(F)cc1	408710877	SZLLKHYOADEZMC-IPPBACCNSA-N	556.229	6.847	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccc(Br)cc1	408726457	SVXICNVMVZDGDW-UNOMPAQXSA-N	633.280	6.586	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(I)c2O)cc1Cl	408734660	IFEHKXUVMAMOOO-NYYWCZLTSA-N	517.548	5.267	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	408745590	SZXBAYCXOHWTFB-JMIUGGIZSA-N	551.238	6.516	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408747192	KIBBDDAZHXLMLO-UNOMPAQXSA-N	522.355	5.881	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)ccc1I	408747491	ORYVSKOOSPVLAJ-KKMKTNMSSA-N	705.128	6.318	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)ccc1I	408747704	RSOQVOSEULEJCI-UVHMKAGCSA-N	656.258	5.564	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1I	408747892	VJCBKFCZFQWDTB-DHRITJCHSA-N	501.368	5.088	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Br)cc1	408756013	QJOBAGPRNZNVLL-WOJGMQOQSA-N	590.293	6.142	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCc1ccc(Cl)cc1	408786232	HNPWDJFSIHFDQC-YNFMAFFXSA-N	602.778	6.705	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1	408789602	MSLGNMXUBUJZCO-UXHLAJHPSA-N	537.991	5.711	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccccc1	408790807	ZBDQRGDSDJFGHG-YZSQISJMSA-N	583.482	7.551	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408793922	HIVWCAQJXDCQFG-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408795845	NHGDKQAASMDBKJ-VCHYOVAHSA-N	576.274	7.288	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1ccc(C)cc1	408797433	RLIZKFGWBZSFEM-LPYMAVHISA-N	549.421	6.068	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1cccc(F)c1	408819345	QEWCNSCYDFUPRS-NHDPSOOVSA-N	586.401	5.640	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408829684	LQSOGGBYXOXGBN-KULFSUQXSA-N	631.120	7.037	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCc1ccccc1	408833113	SXQNDMSQIOAYBS-VXLYETTFSA-N	618.855	6.485	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)cc2)CC1	408841986	NACYUYKSKWZRRE-FDALDRLYSA-N	678.027	6.785	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccccc1F	408843001	LBLWXTWEYZXLHJ-FABQOPTDSA-N	566.658	7.353	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2ccccc2o1	408853853	YLDSLMDVJIEGGW-PPDIBHTLSA-N	607.096	7.063	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408855727	CTLOJJUIKPGKDT-VFLNYLIXSA-N	586.457	5.215	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1F	408856871	ROLACTJEHGAGPX-RHKOWXKBSA-N	543.642	7.663	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408859187	MSFQKPLKJJQEPA-GOJREDGKSA-N	552.118	7.138	50	40	KKGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1	408861013	KUAWAUKZQPHZIF-PPOKSSTKSA-N	589.117	6.156	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1Cc1ccccc1Br	408865717	DRJVLUAEIUWMDO-HYARGMPZSA-N	519.395	5.771	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(C)cc2C)cc1	408866740	ILGCVXGAFVBIRP-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(F)cc2)cc1	408874880	DTFSJDVBABRGRC-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1	408877361	VJGCPLSWLCMTPK-ZCTHSVRISA-N	549.096	5.656	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)c([N+](=O)[O-])c1	408879505	DUDXFINSJRRUNG-VXLYETTFSA-N	552.381	5.808	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Br)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	408888550	WYCBKGUAAHPDKW-XSFVSMFZSA-N	528.362	6.635	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408889228	AYGQYCUHLWYRSW-VULFUBBASA-N	507.395	5.232	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1C	408897556	YCDXVGJHKFZLQN-FMFFXOCNSA-N	573.487	6.121	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Cl)cc1	408904814	PAOMYSKCVXWZOE-WKIKZPBSSA-N	506.902	5.084	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)c(OC)c1	408949253	FEQRCGSFLZSISX-FIZXBFEXSA-N	750.430	6.072	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1	408963667	IQMKUNHRRNTKEE-HNRCQIAMSA-N	665.530	6.134	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)c2C)cc1Cl	408976658	BNKJXTJDIMJNKQ-SDKVIJGTSA-N	513.041	6.067	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)cc1	409001170	VBUFEGLZUIWAQS-YBEGLDIGSA-N	641.143	7.660	50	40	KKGB	
COc1cc(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C(C)C	409015336	OTFCNJODRPSCEZ-NDYASDNXSA-N	536.500	5.882	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409040292	YFALITJUDHHDJC-LQKURTRISA-N	551.384	5.678	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2Cl)c(C)c1	409044356	CICLBNDICCWJHK-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409102736	ZPUPFDNSXLPCHF-BRJLIKDPSA-N	598.235	5.181	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1	409120463	WCLTYOYHWJVAOB-ATZGPIRCSA-N	633.985	6.799	50	40	KKGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1)Nc1ccc(Br)cc1F	409150850	FCGJLHYGPNTUTF-IPBVOBEMSA-N	582.213	5.001	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]23)c1	409218488	IZQSJXPXKRZJQK-NAOVAORCSA-N	577.640	5.815	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)CCc4ccccc4)(c4ccccc43)[C@@H]2C1=O	409220306	WOAWYCAYKDQHOS-GTOJVBOBSA-N	574.080	5.934	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Br)cc1	409226129	SYCIZYBPIFZQHJ-UZRTWBFMSA-N	528.746	5.393	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409229222	LOYDDKNZDTYOEN-PDGQHHTCSA-N	548.302	6.435	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc2ccccc2c1	409242678	SDKRJYUATXVJII-QRVIBDJDSA-N	502.492	6.992	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	409247533	ICJXBTSZXNUOSN-ZRGSRPPYSA-N	659.193	5.215	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409251765	WAPKFAFOQWNNFA-QLTNSANVSA-N	505.958	6.010	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCC(=O)Nc2ccccc2)c(Br)c1	409264533	LWSLFGACQUCXFP-WQRHYEAKSA-N	569.253	6.083	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409267623	WNKAZAUESSWVMN-WKIKZPBSSA-N	577.806	5.043	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409316341	MJUMXVZAJDMTHU-UCMJSZAQSA-N	524.617	6.324	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1OC	409325309	XVYGSAPKIOLGAG-ZRGSRPPYSA-N	638.225	5.992	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1	409331079	CFRYYNNOMSAVQG-WSDLNYQXSA-N	700.791	9.301	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409363677	MEMGNQUDMUJJQV-MHWRWJLKSA-N	589.336	5.141	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409364399	PJYJMMJMBQFFTK-YVLHZVERSA-N	572.818	6.203	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(I)cc1	409371087	AXFGBCLJBLNGTH-YVLHZVERSA-N	519.741	6.735	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1	409372639	ODPLFPMWJYOJIR-UCMJSZAQSA-N	588.649	6.592	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1	409372712	HFTLLWKOKQBGPI-ZRGSRPPYSA-N	565.193	5.531	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccccc2F)c(I)c1	409373753	UFAHPHPZXJAECO-WKULSOCRSA-N	554.359	5.935	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1	409377951	KYOJMTQQXNXBHX-FZKWRIDDSA-N	632.511	6.217	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409383325	UHNOZXBOPKUCBG-LGJNPRDNSA-N	523.269	5.163	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409394492	BCOAYGOMZDMIMQ-UHFFFAOYSA-N	719.739	9.015	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3)c2c1	409395891	SXCOCWMJLGIDJN-UHFFFAOYSA-N	579.609	5.852	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409396174	WWNFIQCSTCTDSJ-UHFFFAOYSA-N	640.843	8.253	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409396215	XCUOBIKFUCRHLT-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409396396	YCNWIXPKAOWYFO-UHFFFAOYSA-N	843.979	10.175	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc5c(c4)OCO5)c(OC)c3)c(-c3ccccc3)c2c1	409396678	AAYUKBNWDRXAKI-UHFFFAOYSA-N	563.566	5.564	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409398731	VLWVONWCUXGBQC-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
CCOC(=O)COc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1[N+](=O)[O-]	409400064	BEXZGWGHJGVJIQ-BVMLUPFRSA-N	639.459	5.643	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3cccc(F)c3)o2)cc1	409404673	QOVQFNKPOGQCPN-HQDYHJHZSA-N	582.588	6.656	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]12C	504687160	FOKBFEZNNMIQGR-XAXLCOJFSA-N	505.227	9.491	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(C)cc2)c(OCC)c1	1529548758	NKAWBQSBNBQAHX-OGEPBOSOSA-N	742.636	5.462	50	40	KKGB	
O=C(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)I)C(F)(F)F)C(F)(F)F	1772820757	XJWBQIVIYXFFAC-STHAYSLISA-N	555.959	5.185	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc(Br)c1O	1830402	PSZGGNALTBFDOR-XODNFHPESA-N	586.899	5.615	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1	1888253	WIAUFTLDPSQHOL-NLTRVXJZSA-N	532.463	6.131	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccc(Br)cc1	1890193	MKAIQOWGDWTYKA-MZJWZYIUSA-N	553.507	5.331	50	40	KKGB	
CCCc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2	2406787	BLLCMUCHSCGEBT-SSEXGKCCSA-N	522.008	5.397	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136363	DYSIKSRHWFWIRQ-WTZFPKOTSA-N	511.987	6.550	50	40	KKGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1ccc(-c2ccc(Br)cc2)o1	15134274	BHXOQACVJYBCLJ-LQNQUEJISA-N	516.395	5.108	50	40	KKGB	
C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(NC(=O)c2ccc(Cl)s2)cc1	20158030	UVSIWCPXEYCPOK-OKCVXOCRSA-N	501.995	6.432	50	40	KKGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1	35622969	CLDAOGIRXKXLCA-UDWIEESQSA-N	508.861	6.398	50	40	KKGB	
COc1ccc(-c2c/c(=N\NC(=O)CCCNC(=O)OC(C)(C)C)oc3cc4c(cc23)CCC2(CCCCC2)O4)cc1	60045109	SDPRZQVXVVSTIM-FMIFUCRQSA-N	575.706	6.373	50	40	KKGB	
CCOC(=O)C1=c2s/c(=C\c3cccc(Oc4ccccc4)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(Oc2ccccc2)c1	97958169	DONZCOSUQYBLMX-IREVPNGTSA-N	613.695	5.485	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1	97966081	FAORFHKENNZAJH-DFKUXCBWSA-N	532.065	6.198	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc(C(C)(C)C)c1O	98045912	QXFWJEKHSMYCIE-FDALDRLYSA-N	615.612	8.565	50	40	KKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4Cl)cc3)CC(=O)N2C1	98048443	KDNCRJLDGOFJAW-JOCHJYFZSA-N	536.484	7.100	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cccs2)cc1)S(=O)(=O)c1ccccc1	100103119	VOSFBEUWVPFPND-OGLMXYFKSA-N	524.067	5.869	50	40	KKGB	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)n2-c2ccccc2)cc1	100612702	WYPIIWWYBUAPHR-QHDYCIAZSA-N	575.738	7.053	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)ccc1OC(C)=O	100852208	LXKQNPWFMXMVFJ-CAQPMQTCSA-N	571.703	5.717	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2)=C(C)N1	102160688	YMIIKLQRHDAQKO-NDEPHWFRSA-N	540.689	6.419	50	40	KKGB	
N#C/C(=C/c1ccsc1)c1nc(-c2cc3cc(Br)cc(Br)c3oc2=O)cs1	102609953	AJPJPYCUXBXRMX-BASWHVEKSA-N	520.227	6.567	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	102933054	ABRXVTWVXPNGKX-WOJGMQOQSA-N	606.816	6.937	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2Cl)o1)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	103043463	OUBGWXFXKXKGNS-UHFFFAOYSA-N	551.053	5.112	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	104246720	IZYGMLSUEPIQQQ-ASDZUOGYSA-N	525.970	6.240	50	40	KKGB	
CN(c1ccccc1)[P@@]1(Cl)=NP(Cl)(Cl)=N[P@@](Cl)(N(C)c2ccccc2)=NP(Cl)(Cl)=N1	104382674	BTFIOXNGGHHHCV-RNPORBBMSA-N	604.938	11.490	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	169795443	OCDIKSYADVULCB-IRXDYDNUSA-N	728.275	10.840	50	40	KKGB	
CC1=C/C(=N\NC(N)=O)[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@H](C)[C@@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	245239941	NJXPVAVICLRJJI-ROEGAYKJSA-N	545.765	5.847	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408527645	GCSPGUOJYRUNMF-ODLFYWEKSA-N	503.223	7.798	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2OCC)ccc1OCc1ccccc1	408538542	OOTUWFJKSDNGCW-WGOQTCKBSA-N	643.534	7.656	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408553088	XALHWKALELOYHN-MXAYSNPKSA-N	528.402	7.342	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc(Br)cc1	408554194	ZZMMYRFPNWZECB-VIZOYTHASA-N	571.085	8.144	50	40	KKGB	
Cc1c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408568306	IWGNMAKAAFFEPL-IBBHUPRXSA-N	570.567	7.313	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408606718	AJSVFSAUYMTOMK-XODNFHPESA-N	504.345	5.199	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408643525	GCVVSBZDDGJQQJ-LVCYWYKZSA-N	539.818	5.545	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408658122	UXYYXJAZRDUIFH-GHMQEZDJSA-N	794.236	6.139	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1	408659568	VYAPRKYXCDBZHG-VSKUHVEHSA-N	659.158	5.020	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408711719	HMVZGEDFLVWOLI-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)ccc1I	408746265	DFPBQXJCRGTADX-RPPGKUMJSA-N	583.195	5.544	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NCc1ccccc1	408746711	FZWPNIZNHUONLV-LSCVHKIXSA-N	550.667	7.212	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2cccc(C(F)(F)F)c2)cc1	408785993	DJNVSMFBDJAVCG-VFLNYLIXSA-N	544.382	5.666	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(I)cc1	408787749	FSACMEIKAUZGSI-RQZCQDPDSA-N	589.773	5.986	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	408789327	JBXSJBKVHBLICU-FYJGNVAPSA-N	528.362	6.635	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408791790	COLOBSCZDJSVTP-KEBDBYFISA-N	529.851	7.787	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(C)cc1	408792209	JNZPDIXOSJFZIB-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1	408806964	BQXHOJMLONXJCR-GRSHGNNSSA-N	668.244	5.846	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	408810385	KJAHCFPYFMYAIF-GRSHGNNSSA-N	684.699	6.360	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408812060	NLZCRYUJKPMPKR-QJOVZPHJSA-N	673.405	8.329	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1	408814790	HRLDZVBXIAZLGP-NDENLUEZSA-N	511.803	5.913	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408823225	NGROZYSWFJCZHB-OVVQPSECSA-N	579.483	8.850	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc2ccccc2c1	408841038	FGNNABOMEHZJRL-IZYHBKOJSA-N	604.654	7.729	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(F)cc5)c(Br)c4)cc3)cs2)cc1	408841259	DYAKWBNDJWBAGI-KVAAJVFYSA-N	615.528	8.107	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408844370	NVHYFZQXFUBIRK-XZYGTATASA-N	582.173	8.676	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(Br)cc1OCc1ccccc1	408852776	ICZLRPYTYXXVSS-STBIYBPSSA-N	503.396	6.344	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4cccc(Br)c4)c3C)sc3c2CCCC3)cc1	408857782	OUTSHQAFKOZXBW-KYHGBAKBSA-N	604.574	7.513	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408858058	ITMQDCMHGWHCIM-XODNFHPESA-N	659.784	5.369	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccc(C)cc2C)cc1	408867075	JRWXHGUXJVSOCZ-ALQBTCKLSA-N	602.688	5.114	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408867272	KDRVCANHXBTYFW-INMNSQLNSA-N	648.710	6.405	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1Cc1ccccc1Br	408872874	KMQVSTVGHZZKSI-RGVLZGJSSA-N	601.282	6.816	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408879983	IAZAWLGNFDMLTA-LZBRRTOVSA-N	545.687	5.411	50	40	KKGB	
Cc1cc(C)c(COc2ccc(/C=N/NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1	408880887	IZUDITPCQPEEKT-VZFOORBSSA-N	540.085	5.148	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1Cc1ccccc1Br	408882932	OQFAVZLGKNUSEU-VCHYOVAHSA-N	530.249	7.209	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	408884367	WVDQAMBTVRTGMZ-WOJGMQOQSA-N	512.349	6.425	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Br)C(=O)Nc1ccc(Cl)c(Cl)c1	408887215	MQTYULVXAQTEFQ-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1	408887588	SCDAECRPBDUYBN-XAZZYMPDSA-N	585.564	6.094	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Br)c(Br)c1	408892829	CQVPKAWBINUZLP-DEDYPNTBSA-N	540.255	6.899	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408897281	RFDDBQGGTNIDMA-WOJGMQOQSA-N	551.939	5.429	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Br)cc1	408926740	YAPMJZKPGNPJLP-QGOAFFKASA-N	527.396	5.080	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1	408941582	DXUURLXQEAFAKK-GDLZYMKVSA-N	699.599	5.451	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	408950871	SOENSVFWYOKKSQ-LSYYGSJISA-N	797.430	5.914	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1	408951434	UASCYDSJHMFARE-MUUNZHRXSA-N	655.546	5.052	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(C)cc1	408962032	FULJVRFVPCGSKD-VFLNYLIXSA-N	568.333	5.970	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc2ccccc2c1	408964736	DORZRCRWXXFDGN-KPGMTVGESA-N	546.396	6.355	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	408968675	AWIWQHRIEJUCOY-SDJOKUDPSA-N	659.825	7.981	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(C)cc1	408984937	ULFHNJASOFHUGE-JAIQZWGSSA-N	572.830	6.695	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408995175	ALUCSVSEVHGQKK-DAXIWEJOSA-N	623.662	5.746	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCc1ccc(F)cc1	409017156	LAXAOJBHSBKMDK-OHUYPAJKSA-N	513.569	5.609	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc(C)c1	409019016	VFXKDSRHZKOVBU-NSEXZMKTSA-N	566.098	5.686	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccc2ccccc2c1	409023629	JHUCYOQBWAGYGA-BVMLUPFRSA-N	519.384	7.244	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1	409063377	AXBTZAUJNXUJHN-WOJGMQOQSA-N	576.266	5.203	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409122727	BBNZHEXWRQIVBS-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409126508	BQJKLUDYSAJZDX-FABQOPTDSA-N	680.139	5.237	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)C2=C1CC(C)(C)CC2=O	409133687	NAXVUEFWPJDNDG-DEOSSOPVSA-N	788.262	6.620	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409183635	FDGHWSXYTAEUOW-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409190686	PVRZVRSKSKLKGN-CCVNUDIWSA-N	544.833	5.591	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409217564	DHPCGMBDGZZFLI-GZTJUZNOSA-N	636.273	6.560	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(I)cc1	409221202	MNCUIDGRPRPOIM-WQRHYEAKSA-N	578.328	6.443	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	409226243	QCTINDJLLPWTLU-PBKINAEXSA-N	548.983	5.616	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c2)cc1OCC	409226633	VSGOESZCZAMPNL-UHFFFAOYSA-N	630.495	6.482	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409267988	YMXXRRVPLZCULO-FDVSRXAVSA-N	509.990	5.146	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1)Nc1ccc(Cl)cc1	409269478	JTSFUPRCZHYSQQ-OHUYPAJKSA-N	582.085	6.989	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	409302195	HWZRKYAJOAFBTB-LJUMEUDFSA-N	545.979	6.179	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1OCC	409314219	RZGDAFWQSJAEKQ-CPDSRJINSA-N	653.755	6.444	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)cc1OCC	409314276	FPHSVMYCEFFBLL-YNFMAFFXSA-N	645.175	7.659	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OC	409323824	QYMTUNZEBXWEFU-UHBFCERESA-N	514.981	6.018	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1OC	409323989	QOKUOGHFIXVKQM-MBTHVWNTSA-N	515.379	5.729	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OCC	409324049	QVBQYXRIJRDWSD-UHBFCERESA-N	585.451	5.686	50	40	KKGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Br	409326985	PNEVLJLJKOHZTA-QRQIAZFYSA-N	507.384	5.203	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	409359287	IJBOXOMEKJHTGA-WKIKZPBSSA-N	550.678	6.445	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409362670	JAWPUMZLLBUNPL-GZTJUZNOSA-N	603.363	5.531	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(I)c1OCc1cccc2ccccc12	409369054	ZKMDZNSRPFAHAE-OCSSWDANSA-N	580.422	6.195	50	40	KKGB	
COc1ccccc1/C=N\NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C	409372266	YKNWSVOKWHLUPC-NUJZUDFISA-N	548.492	5.268	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409374608	UWOOVUJUWKKKTM-NVMNQCDNSA-N	604.275	7.825	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(C)cc1	409387932	YSABOKLHXRLZHK-UVHMKAGCSA-N	509.971	6.123	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)c3cccc(F)c3)cc2I)cc1	409394245	XPZSJINGICINQB-OCKHKDLRSA-N	595.193	6.987	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)cc1OCC	409394498	BDYZMTZNRPGIQP-UHFFFAOYSA-N	784.299	8.903	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccccc1Cl	409394596	CNKXQFVBAQFXOX-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)cc1	409395296	LZYMRKIYVIDVPL-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396254	IGMPWWJQBZGACS-UHFFFAOYSA-N	598.055	6.887	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4C#N)c(Br)c3)o2)cc1	409400107	BJACTKDXRSWHQY-WBIBEUCMSA-N	623.507	7.243	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)o2)cc1	409400993	FWMUNYBKZYCGOE-KOKCXWAISA-N	620.109	7.277	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(Cl)c3)o2)cc1	409402650	KJWCFVJTZFGPHF-VHFSBPNMSA-N	631.516	7.354	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)Nc1ccccc1	409403437	MYITWBMCDWMPBW-QJOVZPHJSA-N	622.678	6.065	50	40	KKGB	
CC[C@@H](C)Oc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	409403593	NMFUDYRYLVPBPR-OAQYLSRUSA-N	594.506	6.978	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCC(=O)O)c(I)c3)o2)cc1	409404137	OWCJILRELUTYME-YNFMAFFXSA-N	739.304	5.703	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCI	584617117	JYADHEPYZFNKON-UHFFFAOYSA-N	688.053	8.482	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1F	1529549417	YMCMOCHJTIJZLO-UUTVKSQHSA-N	655.546	5.052	50	40	KKGB	
CN([C@@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C	1857795135	OGGSROVWKWCEQW-OFGIETDASA-N	595.833	8.277	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1	2199361	UMGVVVCNVDSDOS-JFLMPSFJSA-N	537.001	5.137	50	40	KKGB	
CC1(C)[C@]2(C(=O)Nc3nc4c(s3)CCCC4)CC[C@@]1(C(Br)Br)[C@H]2Br	2666670	CBGCKYQNLWIFBQ-ZTFRIQLXSA-N	541.147	5.646	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)C(=O)N[C@H](c3ccc(Cl)cc3)N2c2ccccc2)cc1Cl	2670611	LDVFBZFBOOEGCD-DEOSSOPVSA-N	523.445	6.044	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccccc1Cl	2946212	VYRJVUYDCASFKG-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCCC1	6445685	JKDIDVNIQNANCB-FXRJOTQOSA-N	612.977	7.632	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl	12600453	BMUNSUPCXUKWFE-WOJGMQOQSA-N	512.349	6.425	50	40	KKGB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)c(C)c1	16713616	HQIHDLZFRFYOSO-TURZUDJPSA-N	511.647	6.673	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)c2C)cc1C	20243878	UTUZDVHTCHCOCF-MUFRIFMGSA-N	523.475	5.070	50	40	KKGB	
COCc1cc(C)nc2sc(C(=O)N3CCOCC3)c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c12	33354932	IIBDYOJHUXWZJI-UHFFFAOYSA-N	581.678	6.033	50	40	KKGB	
N#CC1=C(N)OC2=C([C@@H]1c1cc(Br)ccc1F)S(=O)(=O)N(Cc1ccccc1)c1ccccc12	33355740	LBGMWNPMFFIIHX-JOCHJYFZSA-N	538.398	5.115	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	35189874	ONSLMYWFXYJUIH-RHANQZHGSA-N	510.575	6.664	50	40	KKGB	
CC(C)(O)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1-c1c(C(C)(C)O)cccc1P(=O)(c1ccccc1)c1ccccc1	96171883	YIBWLVYDYINOTF-UHFFFAOYSA-N	670.726	7.087	50	40	KKGB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)CCCN3C(=O)/C(=C/c4ccc(C)cc4)SC3=S)C2=O)cc1	97945916	DGLPHWJCQFWYNH-BOYKQRMESA-N	638.862	5.114	50	40	KKGB	
CCCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(NC(=O)c4ccco4)cc3)c3ccccc3n2)cc1	97965588	MHLVXGPMPWYPBW-HPNXWYHWSA-N	546.627	7.080	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccc2c(c1)Nc1ccccc1S2	97980843	KAGDJNZFHQJKTN-OJYCWLPVSA-N	540.648	7.362	50	40	KKGB	
O=C(Nc1sc(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	97983080	POLKKWKKIANPQQ-UHFFFAOYSA-O	541.636	6.682	50	40	KKGB	
c1ccc(-n2cc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3cccs3)n2)cc1	97984672	IWLZJGSHXAFYAY-UHFFFAOYSA-N	501.615	7.095	50	40	KKGB	
CC[C@@H](C(=O)c1ccc(Br)cc1)[C@@H]1[C@H](C(=O)NN=C2c3ccccc3-c3ccccc32)C(=O)OC1(C)C	98008025	QQYBXONNHLASCK-UKDVSSAZSA-N	559.460	5.775	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)c1	100100103	PQPGJNWDSORHMK-FABQOPTDSA-N	569.547	6.796	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccccc2)cc1	100350330	DQZNILRBXCRLHI-UXHLAJHPSA-N	595.519	5.211	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC3=C2C(=O)CCC3)cc(OC)c1OC	102808235	DHVBPUHCDBMIGV-DEOSSOPVSA-N	573.593	5.532	50	40	KKGB	
CC(C)(C)c1ccc(COc2ccc(Br)cc2/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	103592273	SKKRUSRVNWLCBW-GIDUJCDVSA-N	510.384	6.853	50	40	KKGB	
CS/C(=N/N=C\c1ccc2ccccc2n1)SS/C(=N/N=C/c1ccc2ccccc2n1)SC	104244236	GRXWQBQCPXIESA-VTYAJJHSSA-N	520.734	6.970	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](C)Sc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699427	ZRDILTLNSISLSG-OHGVBLFMSA-N	525.674	6.321	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	105585887	TYZCWVQDGAHGJL-WPWMEQJKSA-N	564.889	5.237	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(C(=O)OCC)c1C	106174209	HDTGICMNUYPEPH-KGENOOAVSA-N	596.499	6.470	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	112255472	XZXKWVDTQITJRW-WEIIPEJZSA-N	604.504	5.735	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	112258278	QGTYEAUJHJAQBN-WOJGMQOQSA-N	552.881	7.039	50	40	KKGB	
C[C@@H](Cl)CN(Cc1c(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)c(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)c1O)C[C@@H](C)Cl	150367844	RSJKZZQPLRISQV-UCGFNCKJSA-N	672.393	6.973	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2C)C1c1c(O)cc(Cl)cc1Cl	150373944	MEZPQILVUDOSEA-UHFFFAOYSA-N	735.455	9.291	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)ccc1I	208252647	QKVGRKAYMGDSKP-QOWQLIIWSA-N	525.818	5.439	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408538554	ORCAQGQLJCXUBA-DBSPGSINSA-N	621.759	7.838	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)ccc1OCc1ccccc1	408539570	XQFGBXQBOBHNCW-ZXVVBBHZSA-N	504.586	6.789	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1	408542896	LONWRTXFNCMLDW-IUXPMGMMSA-N	501.753	6.470	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553950	XPZZUZDJWSVNKQ-NVJOKUIPSA-N	610.248	5.844	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(I)cc1	408570356	UGJRLBRRGFGRFA-FJEPWZHXSA-N	713.457	7.039	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1	408599580	WSICLEICAQWKRA-VCHYOVAHSA-N	573.843	7.065	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCc3c(F)cccc3Cl)CC2=O)cc1	408604366	IIQWKJFCVSKUCQ-SFHVURJKSA-N	511.981	5.125	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408604961	JHULYMRWGIKMBK-SFHVURJKSA-N	544.435	5.476	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1c(F)cccc1Cl	408611308	QNZPZRQXSXVWTJ-IPBVOBEMSA-N	524.763	5.462	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408751194	XOFXWLFHHOZCJI-KCSSXMTESA-N	671.329	6.028	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408772775	HUAVLBIRMFZSMA-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408775998	MCACCRHSBSLDRI-YZSQISJMSA-N	579.314	5.256	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3cccc(C)c3)cc2Br)cc1	408788430	CYUGOUBNDNJIFP-HYARGMPZSA-N	535.438	6.680	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408789391	PNPRJEVKROWMRS-UDWIEESQSA-N	572.830	6.640	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OC(C)C	408802609	ZJEWMWMXYOEAGO-HYARGMPZSA-N	535.438	6.760	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408812761	BVSPFVHHVQLHMY-UUYOSTAYSA-N	586.313	7.295	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)[nH]c2cc1C	408813238	OWAVPKYJFQNIJD-ULJHMMPZSA-N	545.712	7.844	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc(Br)cc1	408821343	GKIWJFHKCYOUPK-KOEQRZSOSA-N	617.927	8.205	50	40	KKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1	408830955	GSXPFMDJGQRKMI-VFCFBJKWSA-N	559.065	8.505	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2cc(Cl)ccc2OC)cc1OC	408833375	URXNDIVJDXOYQP-FDALDRLYSA-N	674.175	6.444	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408839473	SWDKHNVDNGPXTQ-IRWBXMRWSA-N	716.872	9.628	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408844391	OGIFEVSMDJGDFG-KVAAJVFYSA-N	719.561	7.726	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)NCc1ccco1	408845222	VHYWNEWFEYVOAI-RQZCQDPDSA-N	516.189	5.607	50	40	KKGB	
Cc1cccc(NC(=O)Cn2cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c3ccccc32)c1	408854179	ZEBJTVSLYJZALZ-GKVNEZTPSA-N	565.677	7.118	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408862137	FRAVTLIQTFDBLZ-KVAAJVFYSA-N	674.976	6.483	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccccc2)cc1	408863587	NRIBXBPGNBEXPO-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(Br)cc2)cc1	408864570	XQAUUSRKMOPXGU-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc2C)cc1	408874548	BOKMXFVBTKSPMQ-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408874671	DXOVYOTZIKWULO-ZCTHSVRISA-N	608.514	5.382	50	40	KKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408876758	NKJXYVCOLFRENC-MTDXEUNCSA-N	507.033	7.672	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408878075	ZJPNFYUMWXNLAC-HAHQWYSTSA-N	599.161	6.830	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(Cl)cc1	408879045	FAQJJSJOFZFOFQ-WKULSOCRSA-N	570.814	6.449	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)cc(C(C)(C)C)c1O	408882640	PTNNBSGRPPGJOI-DPNNOFEESA-N	694.486	7.363	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408892322	YPHPYTRUEJGEPU-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1	408921975	CYKCBZVLVIMELE-IHELAITMSA-N	613.677	7.738	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1	408940820	CZTZKZWOOOUYIE-HHHXNRCGSA-N	810.452	5.360	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1	408949128	QMQQEQQRFVIPMK-MHZLTWQESA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C	408949404	QWFNPFKGHSPQFI-UMSFTDKQSA-N	730.685	6.321	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)c(OC)c1	408957583	VDJIQYNFTDNAEH-MOEPSENCSA-N	824.410	5.204	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409010897	DNSMYOVHALLRDK-XKJRVUDJSA-N	698.695	7.103	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1	409013070	JYBMGZLWUVBOFE-WGAREASOSA-N	659.589	7.481	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1	409014823	LEAPCMASAZPRMG-CRGXTLPNSA-N	653.691	6.858	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409016463	CQLPNPZSDGPMAN-FXIXIHIJSA-N	620.618	5.791	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1O[C@H](C)CC	409017415	ZNVBVHVXTKLBEM-UWLYNBDASA-N	540.785	6.031	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(I)c1OCc1cccc(C(=O)O)c1	409023019	BBWJFJNGIPYNHB-BVMLUPFRSA-N	625.419	5.044	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409027594	MIBBNCAZYZAECP-PPOKSSTKSA-N	589.117	6.021	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1	409028156	IBGXGRIVQSPHCM-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409054436	GBVCPZVBZUOQAA-WOJGMQOQSA-N	554.828	5.983	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409063539	BXSFRYHRGYYCAF-MHWRWJLKSA-N	643.286	6.310	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)Cc2ccc(Cl)cc2Cl)cc1	409067108	JGZVFVZSDHZFFF-WKULSOCRSA-N	532.493	5.766	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1ccccc1	409118039	OSBARJUNOPOIRZ-FMFFXOCNSA-N	608.116	5.672	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(Br)cc1	409130120	WAJRWXQWNQXPIJ-SANMLTNESA-N	659.419	6.572	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1)Nc1ccc(Br)cc1C(F)(F)F	409152385	IWSRFNIFXXRVPB-QFDQHJFZSA-N	632.220	5.881	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409195697	VKXATEGQUOOONP-XLNRJJMWSA-N	512.679	6.253	50	40	KKGB	
COc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)cccc2[N+](=O)[O-])cc1	409217741	AXMXXFBIYGOJRD-MNBJERMJSA-N	552.543	5.147	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409218783	KSGSRZQJBUORMA-UHFFFAOYSA-N	616.026	5.711	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409222555	DWUDJOOMBLSZMR-PTUJBIMJSA-N	668.659	5.654	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409226334	VCJQNSKRJIOOIP-UHFFFAOYSA-N	586.988	5.882	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2Br)cc1	409227435	YOSKOEYVVIAAPT-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc2ccccc2c1	409241125	RKNJATYIJOHFIA-RWTUPJDWSA-N	588.445	6.816	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409246697	AMFDSZHUCWOHQV-SPMKTWQFSA-N	562.464	5.958	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409252840	FFUYVJYCTLFQPQ-YDZHTSKRSA-N	576.491	6.645	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409266605	KFKWBRCEOPUSQN-RGVLZGJSSA-N	536.382	6.064	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409312031	JJNNZEWWVOIXBQ-OHUYPAJKSA-N	720.969	6.463	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409315545	JDGYFYGWGOTWOU-MOPGFXCFSA-N	525.841	5.717	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409316575	YSGDAEMWNHEFJT-RODHXAHZSA-N	688.453	7.919	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)cc1OCC	409320056	BIDPSVHGKQXQGQ-KYHGBAKBSA-N	626.345	7.505	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)ccc1OCc1ccccc1	409320589	QPHKYXRBLOIGFQ-OHUYPAJKSA-N	593.905	7.423	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1	409386423	QAPYGTBRZXWYAL-DHRITJCHSA-N	506.496	5.069	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395523	ORGCRCLNMQRAQD-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccccc1Cl	409395743	RESAKYRCUJZHTI-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409396178	WWTSMXVLWNDPKF-UHFFFAOYSA-N	680.914	7.399	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398249	RXPDLFAOMSJIRE-UHFFFAOYSA-N	660.863	8.806	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409398662	VAVINTJETKUEDB-UHFFFAOYSA-N	582.410	6.309	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398734	VMDKJGLAVMRHDU-UHFFFAOYSA-N	708.896	7.383	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4cccc(F)c4)c(I)c3)o2)cc1	409401499	HFQIMACPVQINJM-RODHXAHZSA-N	789.383	7.957	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(Oc4ccc([N+](=O)[O-])cn4)c(Cl)c3)o2)cc1	409403879	OJMCGZDFLDEXTD-PMNVOCJDSA-N	620.449	7.432	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)o2)cc1	409405055	RXDUTCOKBMEABM-HQDYHJHZSA-N	599.043	7.171	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(Oc4ccc([N+](=O)[O-])cn4)c([N+](=O)[O-])c3)o2)cc1	409406403	WPRZGCVBMFCRBR-UHIZKJEFSA-N	631.001	6.687	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)o2)cc1	409408181	JCAWXXXRJINPOZ-OFQXVLFTSA-N	649.616	6.465	50	40	KKGB	
CC1(C)c2cccc([C@@H](N[S@](=O)C(C)(C)C)C34CC5CC(CC(C5)C3)C4)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21	1857794988	DDAVVJQEEHFBRU-WSDQCUJVSA-N	661.892	9.186	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1869253	BKVGTLFOQVEQSA-HPNXWYHWSA-N	589.765	7.362	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)cc(Br)c1O	2055708	MAZKAYSQTXJTIJ-KTZMUZOWSA-N	593.110	5.649	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	2670828	BFMHHCLEZQMHGP-MHWRWJLKSA-N	559.272	7.609	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1	3314207	HJGMBMUXLNHLCJ-LQKURTRISA-N	556.065	5.554	50	40	KKGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1)S(=O)(=O)c1ccccc1	6878773	QBMDKTWKRFAJFB-NDZAJKAJSA-N	534.037	5.508	50	40	KKGB	
COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)[C@H]2[C@@H](CCCN2C(=O)C[S@](=O)c2ccc(C)cc2)[C@@H](Cl)C3)cc1	8665694	FUFMXEHZPUASGK-XQRQYRIESA-N	611.185	5.446	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	8818222	CADLITMJYFDJMF-WGOQTCKBSA-N	506.975	5.128	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@@H]3C)N=C3CC(C)(C)CC(O)=C32)cc1	13175295	RDCYZPXRHDAUKC-XRHLQHRESA-N	513.663	6.312	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OCCOc1ccccc1C	13939870	ZHYBPUWOLWDYGJ-JWGURIENSA-N	512.591	5.629	50	40	KKGB	
Cc1ccc(C(=O)Nc2sc(/C(C#N)=C/C3=Cc4ccccc4O[C@@H]3C)nc2-c2ccc(C)cc2)cc1	16733988	IXXPQQIIZZAHSF-AZVXTCMLSA-N	503.627	7.451	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2cccc(Cl)c2C)cc1	20207069	DKVLMGIQHUDOCL-LQKURTRISA-N	514.047	5.090	50	40	KKGB	
O=C(COc1cccc2ccccc12)N/N=C1\C(=O)N(CCOc2ccc3ccccc3c2)c2ccccc21	40138854	BBEAXOYMLFPOGR-NMSHJFGGSA-N	515.569	5.318	50	40	KKGB	
N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)NCc1ccccc1	59399135	KHCIHGYNILJKMU-RRAHZORUSA-N	514.028	7.688	50	40	KKGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)c(OC)c1	96933946	XAZUHDJRWZFONB-XMMPIXPASA-N	548.064	6.156	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(Br)c2)C(=O)N/N=C/c2ccc(Br)cc2)cc1	97961075	FTTXCJOVCKNMCS-WJQBCWGLSA-N	570.285	5.199	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)cc1Cl	98045722	SZXFHBOHYWVMBN-ZEVJAHDQSA-N	626.509	6.907	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1	100119387	MSDLXRMZGNMVEC-UXHLAJHPSA-N	535.069	5.478	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1	100129741	CFHAHVAEXAVBJW-MZFJOGFUSA-N	627.992	5.894	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240429	GKAXLOCAAKTYCP-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	100343652	STBXTLWDGUMOND-KCSSXMTESA-N	603.701	5.282	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343842	PVYXSQCTKNPWDL-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)ccc1COc1ccc(Cl)c(Cl)c1	101665664	YSTJLZAPOHILKU-AMVVHIIESA-N	588.289	6.352	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Cl)c3Cl)C3=C(O)CCCC3=N2)c(OC)cc1Cl	102886928	DUJFQDNYXWBWMI-QHCPKHFHSA-N	578.905	7.305	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)cc2)cc1	103899385	BOFCSCSVRWVFMW-HNSNBQBZSA-N	621.115	5.096	50	40	KKGB	
CN(C)CCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCC[N+](C)(C)Cc2ccc(CCl)cc2)cc1	104196030	RNOMPDZXHNOZQU-UHFFFAOYSA-N	588.389	7.537	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	105464357	SWEOBHLAALGWSQ-BVDGQYGUSA-N	608.695	5.633	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC)c(C(=O)OCC)c1C	107858042	SJEXFWKXWHNSFL-OVCLIPMQSA-N	613.324	6.052	50	40	KKGB	
CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341651	GAERTRYJUNXMSK-AWEZNQCLSA-N	792.343	12.136	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	150427379	TWGOARKGIPAIBQ-PPDIBHTLSA-N	659.998	7.008	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2cc(C)cc(C)c2)cc1OC	150474233	SLCOPDPICRKRMB-DPNNOFEESA-N	653.599	5.836	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164740133	UPQFJMYCTJLIHN-JAIQZWGSSA-N	725.151	8.480	50	40	KKGB	
CC(C)(C)c1cc(P(c2ccccc2)c2ccccc2)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(P(c3ccccc3)c3ccccc3)c1O2	196099538	KDKJDGIJQNFICS-UHFFFAOYSA-N	690.848	10.230	50	40	KKGB	
N#CC(C#N)=C(C1CC1)[C@H]1[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	239425869	VJZCKEQNVPBUPV-OQOFHLOUSA-N	502.017	6.961	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c3ccccc32)c1	408540935	CYOLTDLRKSYOIZ-JLPGSUDCSA-N	502.574	5.223	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408549567	UWQSQLNQAHKFKG-QRQIAZFYSA-N	523.463	9.197	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408549920	BOLCRJRUARZARA-CJLVFECKSA-N	579.707	7.511	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc(I)c1	408550970	LCVIITVWPNMODZ-WOJGMQOQSA-N	552.441	6.056	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1cccc(C)c1	408552842	KPAGQGXUFOEQMA-CIAFOILYSA-N	576.516	7.093	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OC)c1OCc1ccccc1	408568322	IYKVRIQPNDRPAL-UXHLAJHPSA-N	534.703	6.010	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408579839	KIXCEBFNALFNLJ-VGOFMYFVSA-N	579.190	7.827	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1	408604440	JDXQADVJCATZIP-JJIBRWJFSA-N	551.647	5.497	50	40	KKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(Cl)c2Cl)c1C	408610571	OHSUNULNHGFOJI-XKJRVUDJSA-N	547.826	5.370	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408646198	TXAUGTIZSGGHNU-UJOPUZHASA-N	743.257	6.436	50	40	KKGB	
CCCC[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408687797	PJDJKVHBIGGZQR-GFCCVEGCSA-N	609.677	5.113	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408724805	BAYUYPATYUMJJU-FMFFXOCNSA-N	624.184	6.385	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1	408728097	VKVQLWRZFCKULS-FMFFXOCNSA-N	592.117	6.048	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408728745	SNCWMUNYDSNAEF-NDZAJKAJSA-N	587.098	5.598	50	40	KKGB	
O=C(N/N=C/c1c(O)c(I)cc2ccccc12)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408732911	UMXGCZLGQQLPMO-XAZZYMPDSA-N	620.472	5.553	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1	408745434	SDQCPNQDUQRPMD-ODLFYWEKSA-N	572.374	5.962	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1cccc(Br)c1	408765755	NRJLSUSZEKEUPI-GRSHGNNSSA-N	537.211	6.208	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408790217	VEXYEHMTMVXWSP-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	408791530	ZSRJRWKDDJDNKP-FDAWAROLSA-N	582.465	5.558	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)c1	408793115	DCFXXKIQRNTMGP-UFFVCSGVSA-N	659.265	6.509	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc2ccccc2c1	408794250	RRIPEXJFFMMBLQ-LPYMAVHISA-N	547.836	7.389	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2-c2ccccc2)cc1	408815034	SYEIPKKIRZYFIM-SGWCAAJKSA-N	555.609	7.673	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408822028	AXKGZPUQIKZGPO-OKCVXOCRSA-N	572.470	5.750	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc(Br)cc1	408825952	KETDCDKKFMOBGW-OVVQPSECSA-N	597.509	7.860	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2ccc(Cl)cc2C)cc1	408827507	KCZNDHNIHSUHKT-KBVAKVRCSA-N	532.065	5.554	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408829686	GATAKXJBWFOVKM-HZHRSRAPSA-N	591.864	7.945	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408830048	LEVWTBDAOMQTSF-OKCVXOCRSA-N	620.953	5.638	50	40	KKGB	
O=C(NNC(=O)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1)c1ccc(Cl)cc1	408839419	RWEMFCKQXQQXOO-UHFFFAOYSA-N	529.361	5.443	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1ccco1	408840893	CXKGQJUJCXZPMU-MHDJOFBISA-N	666.937	7.544	50	40	KKGB	
O=C(NNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408841081	FLIWTPBYCYWJCT-UHFFFAOYSA-N	619.895	7.312	50	40	KKGB	
CCOc1ccc2ccc(OCC)c(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2c1	408842226	JEGVSKPXCRDXSI-DPNNOFEESA-N	571.102	7.922	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(Cl)cc2)cc1	408843937	UOQDNBJRWWPZDY-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
Cc1c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccc(Br)cc1	408855098	BXNMWYLXJLWVET-NUJZUDFISA-N	565.265	7.033	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Br)cc1	408856212	PRGZXCJGFUAYKL-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408858084	JJHZXGJDUALOCG-FMFFXOCNSA-N	555.700	5.845	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408860011	QQWJDFSYIAYSTM-GAKHTCNASA-N	582.347	7.116	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(C)(=O)=O	408861409	RTSJOLVORKVDPD-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cc(C)cc(C)c2)cc1	408863326	LVBMTZPLJUTTPT-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	408881550	NWOWPJNEJBEEGO-SFQUDFHCSA-N	653.292	5.766	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1Br	408882280	NHOMIRSRCJKPII-RQZCQDPDSA-N	672.144	7.884	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	408884371	WVGUXPUJXOQHJX-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1c(Cl)cccc1Cl	408888081	WPEQEYBLKBQYTR-OQLLNIDSSA-N	532.767	6.688	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408898862	YAJLRFFKJOHILA-STBIYBPSSA-N	563.408	5.890	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1	408921278	ADGAKJSKNSLTJY-QGOAFFKASA-N	633.318	5.792	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922113	DFHFGNWATHSDRP-FRKPEAEDSA-N	639.311	6.036	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)c1ccc(Cl)c(Cl)c1	408925358	RLXKFEVELABQKZ-BBUXEPKYSA-N	617.492	8.254	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccccc2F)c2ccccc12	408940208	BZAFFOQGMKSBHD-WJOKGBTCSA-N	613.715	5.022	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408944150	IMNWORJJIUUKDX-MUUNZHRXSA-N	753.446	6.062	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCc2cccc(Cl)c2)c(OC)c1	408947817	BJIRKMBOHWISFZ-OEISHWKDSA-N	715.985	5.419	50	40	KKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	408949450	ICOCOAUXWPGZNN-QNGOZBTKSA-N	522.008	5.681	50	40	KKGB	
Cc1ccc(C(C)C)c(OCCOc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)c1	408971797	QHVJCKVUXAIVIT-OEAKJJBVSA-N	523.460	7.106	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccccc1	408976222	AAXNVUIYCKHZTO-DRQPSCMVSA-N	697.311	5.802	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1cccc(C)c1	408976682	BSONZJHUVNEJFN-QXNHYZTASA-N	585.726	5.841	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(C)cc1	408984392	QJQMLJFMKIJTOP-CIAFOILYSA-N	586.857	7.085	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1	409004072	AGJCMESJONEONK-DDLSGSJOSA-N	668.544	7.036	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409007646	YPSVLZUBAVLEKC-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)cc2I)cc1	409016676	VJOGTCDMSIZFIW-IPBVOBEMSA-N	745.105	6.446	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)cc1	409027837	HVFVHTSNGSTTJN-ZCTHSVRISA-N	593.547	5.765	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409034726	IEJXZBHJRVVXOE-KCSSXMTESA-N	541.076	7.913	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409038569	PJLVQANVZGCCHU-QNVXDBMFSA-N	682.427	8.975	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(F)cc1	409042397	MRYLSIIUHNQQBJ-CXUHLZMHSA-N	564.636	7.129	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409047838	PSXNXSHPKQNAHC-SFQUDFHCSA-N	510.775	5.666	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(C)cc2)cc1	409049939	YWALIVHVYUKSCM-WOJGMQOQSA-N	501.391	5.924	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OS(=O)(=O)c1ccccc1	409069997	BXUAHSXLNMMHKY-GZTJUZNOSA-N	642.393	6.022	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409073247	GLBIOQQMQIMWEZ-XDHOZWIPSA-N	545.444	6.322	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409084797	XPGIAASOTHFZKT-NTUHNPAUSA-N	645.613	8.130	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1	409115923	JSUMIUCTFZKJLR-TWKHWXDSSA-N	542.101	5.772	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3C#N)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409124721	BMGIHTXXRHQLMZ-SANMLTNESA-N	517.029	5.173	50	40	KKGB	
Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)c1	409156610	KYDLKXPANPLIFJ-VFLNYLIXSA-N	571.859	5.134	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccccc4F)cc3Br)cc2c1	409186814	IETXKYOGHKBUEU-NUJZUDFISA-N	541.373	6.085	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409190394	YETKTEJWLNFELP-HMAPJEAMSA-N	508.449	6.946	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccccc2)c1	409218888	IIEGWGAFRIRXHM-UHFFFAOYSA-N	690.175	7.754	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409230745	FZYLHECJLJKSQH-JCMHNJIXSA-N	627.454	5.502	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409233688	WBLIOQVPSCNJHN-HSGPEQJXSA-N	560.275	7.128	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2I)c1	409250064	LFDGQPYQNCYXHN-NVMNQCDNSA-N	688.225	7.348	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1C	409251190	OTCMFTCOBHNMBH-UNOMPAQXSA-N	538.829	6.283	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409268036	YXIXCXKOOWZZNQ-NVMNQCDNSA-N	650.300	6.868	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccccc1F	409322113	KNXRFQDNUUICIP-HYARGMPZSA-N	502.383	7.783	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409322147	KTXZSSGKVPQSOV-KYHGBAKBSA-N	688.394	6.639	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OCC	409336006	ZSWXTBPVWNAGCX-CAQPMQTCSA-N	568.070	6.016	50	40	KKGB	
Cc1c(/C=N/NC(=O)CNc2ccc(Br)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409356794	GQHCVIALVHZFPH-VVEOGCPPSA-N	544.280	6.630	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1cccc(C(=O)O)c1	409373346	HJJZARWBDLYWEA-GRSHGNNSSA-N	565.367	5.826	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1	409373910	WVFQKNQQIBMPJJ-ZMFRSBBQSA-N	532.778	5.291	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409383747	DOUJUUIXOIHQJF-GIJQJNRQSA-N	592.367	9.000	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396105	AMZOYXYPVACXJB-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409396468	YPLXFZMKNIUGFV-UHFFFAOYSA-N	777.638	8.601	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409397797	ODHSHVLMFIRVMC-UHFFFAOYSA-N	538.003	6.870	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409398278	SDRUSEBELOGNDV-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409399306	ZGQSTRUEQYLDGG-UHFFFAOYSA-N	631.516	7.208	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409402376	JXQYUHRAAFNJFK-KOKCXWAISA-N	642.108	7.359	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(O)c(Br)c3)o2)cc1	409405003	RRVPSACMWNJIHB-QDTIIGTASA-N	587.268	6.261	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(C)cc1	409405715	UVSCNAXXOXUNPF-QJOVZPHJSA-N	593.680	6.935	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccc2c(c1)OCO2	409408163	IZFQUERKPCRVQM-WBIBEUCMSA-N	621.646	6.377	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccc(Br)c(Cl)c4)o3)o2)cc1	409410387	WEMMANYGFJEGIH-ZMGVVAQMSA-N	592.877	7.706	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)c1	409410425	WZZXXFJXHMBQPL-FZKWRIDDSA-N	534.660	7.054	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccccc1Cl	1529548444	GMJCXVVGCKBWTK-CKRMDNAKSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1C	1529548820	HGQYCCURQQCIQF-IWCMBNRNSA-N	686.234	6.212	50	40	KKGB	
COC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)SSC(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)OC)C(F)(F)F)C(F)(F)F)C(F)(F)F	1565683393	PTMKQOJPJXPNJN-DKXJUACHSA-N	946.316	9.249	50	40	KKGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1	6182126	UKHBFDQMUWHURZ-JGRMKTMXSA-N	576.678	6.730	50	40	KKGB	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6244741	PTDRKHUVHOXYEB-VPLUBSIMSA-N	564.878	8.157	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)c1ccccc1	15930188	RKJGXXSYTVFFSB-YQYKVWLJSA-N	506.635	5.665	50	40	KKGB	
COc1cccc(CN2CCCN(Cc3cccc(OC)c3O)C2c2ccc(N(CCCl)CCCl)cc2)c1O	19325136	GEONVTKETCOVIU-UHFFFAOYSA-N	574.549	5.806	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1	28218092	RPYUDUYHHROWRG-LGJNPRDNSA-N	512.360	5.326	50	40	KKGB	
N#CC1=C(SCc2cccc3ccccc23)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl	53334788	VWKOASBKCUSXTN-PNIUZAESSA-N	585.072	7.660	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cc(C)ccc2C)cc1	59647280	TTZFPIDBZXOLLA-BIZUNTBRSA-N	586.670	5.445	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1cccc(Br)c1	59856102	YYTPZQUZZVSJAA-ZXVVBBHZSA-N	528.472	5.186	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2ccc(Br)cc2)cc1	59856505	CJEZFCKYSRRLDT-NJZRLIGZSA-N	592.515	6.007	50	40	KKGB	
O=C(N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1	97980773	QVKPRSJCSTVDLI-VQPJSCFASA-N	566.466	6.452	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	98001522	KEBHBKNFQHJLHD-LUOAPIJWSA-N	645.529	6.376	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)NC3CCCCC3)=C(C#N)[C@H]2c2ccccc2)cc1	98048890	JXEXZCOWCCISCY-MUUNZHRXSA-N	558.704	5.380	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	100398338	BYKOLVQLPMADCT-JFLMPSFJSA-N	524.857	5.031	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C(F)(F)F)cc3)n2-c2ccccc2)cc1OC	100882652	FECHKUANIOADFK-MNDYBZJGSA-N	541.555	5.213	50	40	KKGB	
CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3)c3cc(Br)ccc32)C1	101090452	MRFPSSZYPJMZRY-OPPNKHEXSA-N	543.893	5.441	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1OC	102666655	ORVDYRLORALHRF-GDJOMKKCSA-N	592.515	5.251	50	40	KKGB	
CN1/C(=C\C(P(=O)(c2ccccc2)c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21	102945305	VGZYPNFTBCVVLW-NUDFZHEQSA-N	587.640	7.652	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	103897783	JNEHCPZRZOZARA-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(O)cc2O)cc1	104637157	XEELAMDXWURICV-OCSSWDANSA-N	550.036	5.219	50	40	KKGB	
CC(=O)NC[C@@H](I)C/C(C)=C1\O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C	118917985	KGBSGBJFEOXATN-DIPVDZQDSA-N	623.616	6.746	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@]4(C)C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]34C)[C@@H]1CCC2=O	118934993	YQQLSJSHFADXQE-ADYHJMNLSA-N	562.622	7.427	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	150385606	BLVDBDGKTOSEEQ-AABVJFSESA-N	623.484	6.765	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1cccc(C)c1	408567346	CZRVWAHLNFDXHE-GRSHGNNSSA-N	506.375	6.815	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408568051	HVGOVOGYCDIMJB-MZJWZYIUSA-N	588.505	5.944	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)c(I)c1	408570516	WGNWWVKDWGRFMN-CCVNUDIWSA-N	624.953	6.531	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408583670	WFWAEWJEASCTAO-LPYMAVHISA-N	549.262	8.017	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCc1ccc(Br)cc1	408612894	XICLPCYZDZYMEL-VFLNYLIXSA-N	550.331	5.144	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccccc1F	408676870	NGVWCLWMYNTCJY-MUFRIFMGSA-N	573.406	5.382	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1	408745766	VIMBJBIULDYCAI-WQRHYEAKSA-N	682.150	7.340	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408746443	ZFYYTQJMHZUOFG-WQRHYEAKSA-N	684.699	7.073	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c1	408747037	YEDWOYXAFJRYEK-XKZIYDEJSA-N	700.314	7.572	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1	408756145	UCTKIWKAHXNHBN-OCSSWDANSA-N	512.509	5.319	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(F)cc1	408791311	VZAMSMIYJVARFS-RQZCQDPDSA-N	564.238	7.418	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1	408794288	HYRUHRPOXLUASK-WOJGMQOQSA-N	637.699	7.230	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I	408795543	LZGRXVQVVCXOSL-WUXMJOGZSA-N	578.575	5.494	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1	408797016	QRMHRGPNSXPIIU-UDWIEESQSA-N	506.356	6.099	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408798035	UHVHUFMSYHJNAH-GIJQJNRQSA-N	609.145	8.205	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccccc1C#N	408812138	CDNYNDXUOGZYSC-FMCGGJTJSA-N	593.421	5.373	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)c1	408814451	HATBUOFQBHPZIR-MOHJPFBDSA-N	564.711	7.231	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408823540	FXCQBQIHKAHMTQ-LFVJCYFKSA-N	614.452	7.070	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccccc2)c1	408826165	CGFKHSPTSXNMJO-QNKGDIEWSA-N	591.089	5.337	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408843651	MOSCGEAZGWMEBZ-IZYHBKOJSA-N	631.585	8.911	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408844653	KQYREXBJWYHHPY-LICLKQGHSA-N	515.766	6.375	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408847373	UNJOFEQLMWDMJF-DBFSUHOCSA-N	616.262	6.398	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Br)cc1	408853630	VLZYHRXATDYKKB-MZJWZYIUSA-N	561.274	6.653	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1F	408856904	RWYPCCRLZKJMEI-BIKKEBSBSA-N	622.538	8.426	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408859619	OGAMGKAQQJCXGT-ZHSUKTGHSA-N	672.388	7.693	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408862461	JVSKHZSFRCAVMS-AABVJFSESA-N	644.418	8.541	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1	408866973	JIQSALDPQBCGSW-XAYXJRQQSA-N	550.464	5.136	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(F)cc1	408871157	WFXUPOCGSBGWBD-VCHYOVAHSA-N	610.345	6.972	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(OC)c1	408875408	IIONQDLKCOIMGD-DJKKODMXSA-N	631.277	5.939	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1Cc1cc(C)cc(C)c1	408881451	MICXVZUSJNWWEZ-SSDVNMTOSA-N	537.885	7.563	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OC(=O)c1cccc2ccccc12	408889393	GBFJMLHDIITGKU-UDWIEESQSA-N	586.398	6.592	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	408890533	VGMSSSNIRXWQQB-LICLKQGHSA-N	540.757	6.084	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(I)cc1	408892998	DONWBOLSIJVTAD-QGOAFFKASA-N	514.750	6.069	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(I)c1OCc1ccccc1C	408922797	HENQBZNXTDNINW-JFLMPSFJSA-N	544.389	5.350	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408948049	ORRZPSZNOQRBAS-MHZLTWQESA-N	808.449	5.426	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12	408948698	PVMBYSSEJRSYKQ-WJOKGBTCSA-N	630.170	5.536	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c(F)c1	408965390	GUDXLMNGVANPDP-KKMKTNMSSA-N	531.179	5.565	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	408976622	BHNJJYCGMUTVLJ-ZCTHSVRISA-N	548.064	5.260	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408978383	ZDHUJFMFTIGEHY-CWUDWNJOSA-N	648.710	6.405	50	40	KKGB	
Cc1cc(C)c(COc2ccc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)cc2)c(C)c1	408981955	WSHFCWWDWLGXSU-LIYQASSCSA-N	519.645	6.202	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(F)cc1	408982678	YPFXOVYDZMSXNQ-IADOGKPESA-N	575.662	5.282	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc2c(c1)OCO2	408983681	NKHCACSKCOVUHT-WSVATBPTSA-N	602.812	6.115	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409001624	JPKOYKHLRHVQCI-XUJZZBMTSA-N	661.007	7.103	50	40	KKGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1	409001911	XUKOHBHFCULRBJ-DHRITJCHSA-N	565.205	5.162	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409014896	QFDPOTWFVMMGQM-SAEPALGJSA-N	620.577	7.641	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)o1	409035125	IVNQTTWCYBXEAX-JIOBWVPNSA-N	570.432	5.861	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)c1	409043000	PAOMDGUCKSOSRW-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	409050192	SJYXUYUGWRKYHY-FJEPWZHXSA-N	599.938	7.531	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1	409057337	JXLROZSADYLFGP-KVSWJAHQSA-N	603.297	5.245	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)Cc3ccc(Cl)cc3)c3ccccc32)cc1	409142693	FPXMAXCZNMIRKV-PSORJPDMSA-N	560.053	5.544	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3F)o2)c(Br)c1	409152760	GEISTHIMTBRTMW-BXPUGBIQSA-N	514.395	5.451	50	40	KKGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1)Nc1ccccc1C(F)(F)F	409160159	STOCPOYAZSSYRM-PNQUVVCRSA-N	553.324	5.119	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	409163380	QQPFCZWZKHBKOP-WCMJOSRZSA-N	587.460	5.287	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccco2)cc1	409224122	KQEPWVGQEKONMN-NUJZUDFISA-N	567.341	5.730	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	409241725	UERGCFWDZCKJBU-PPDIBHTLSA-N	557.190	6.009	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccccc2)cc1Cl	409256784	QAUCNQYRANUGAO-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409257185	RQFAQILREKFFIC-XKZIYDEJSA-N	518.013	6.227	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	409259174	ZYNQVSZNXPEKQR-XJECJHNESA-N	630.557	7.950	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)c1C	409263324	MBZWWCCKQWTBST-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)cc1C	409265469	VBVWDFUVTNYKLF-VCHYOVAHSA-N	528.823	6.827	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409265975	VNIQQHQNERKHHO-XKZIYDEJSA-N	518.013	6.227	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OC)c2)ccc1OCc1ccccc1	409303112	LNIORIQPWMIMHU-APTWKGOFSA-N	528.580	6.155	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1OCC	409313699	CUXFDROEDOUGPB-MNBJERMJSA-N	502.998	6.634	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1OCC	409315608	JITUPRAPYYBIMS-FDVSRXAVSA-N	592.405	5.579	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)ccc1OC	409320413	DDCWJLJJAKPLOX-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)ccc1OCc1ccccc1	409325714	ZYHIRFVYCCHGPA-HQDYHJHZSA-N	679.511	5.977	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409335830	YTNBMTKVVORVIP-WOJBJXKFSA-N	647.762	5.918	50	40	KKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2-c2ccccc2)cc1	409336205	SYVNFLAXFKHGLD-MVAUOWPQSA-N	716.841	10.487	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)cc1OC	409337102	WVFHPIUPNARWCE-FDVSRXAVSA-N	619.310	5.790	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(I)c1OCc1cccc2ccccc12	409364173	NHJLVZZDTHKKAB-STBIYBPSSA-N	550.396	5.725	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OCc1ccc(Br)cc1	409377613	JIFWYYPFLGCDSF-GRSHGNNSSA-N	606.258	5.737	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409396732	ANHMDRVBADIBIP-UHFFFAOYSA-N	606.893	8.095	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409396813	BMSQTGNIYKPQKR-UHFFFAOYSA-N	588.019	7.353	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398162	RHFXGIRJZCMXDT-UHFFFAOYSA-N	586.475	7.832	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccco1	409398560	UMSMQDWPJASOIX-UHFFFAOYSA-N	597.252	7.480	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409399366	ZZAKRVRSWJRLIK-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3Oc3ccc([N+](=O)[O-])cn3)o2)cc1	409406844	XPQRHVQEDVTVCZ-ZMGVVAQMSA-N	596.556	6.034	50	40	KKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)o1	409407422	FTTGYXPJBIPSQG-KYHGBAKBSA-N	528.008	7.252	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	1529549188	UUIFELMXTGJLLE-CKRMDNAKSA-N	657.576	5.466	50	40	KKGB	
C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4cc(Br)ccc4OCc4ccccc4)c(=O)c23)C1	1783488	ZHKCEWWCUMUOOQ-HWQYYBGISA-N	565.493	5.075	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc2)sc(C)c1C	1785489	QXRGSHVMZREAAX-KTBDRLKFSA-N	562.475	6.018	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1	1878171	RCEZUNKDZKSHAT-UVHMKAGCSA-N	561.292	6.246	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	2670515	YDYNADZPBIYVNG-YRNVUSSQSA-N	519.228	7.837	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1	3239334	DVSULVNTCNMPOQ-BIZUNTBRSA-N	579.629	5.079	50	40	KKGB	
C[C@]12CC[C@H]3c4ccc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)cc4CC[C@@H]3[C@@H]1CCC2=O	4823734	SFOHURGDKAWENM-YRUYCOJQSA-N	528.520	6.544	50	40	KKGB	
O=C(O)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	6445693	HLLGIHOHYYUOEV-LNRUOBPOSA-N	525.970	6.240	50	40	KKGB	
O=C(O)[C@@H]1[C@H]2C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]2c2cc(Cl)cc3c2N1C[C@H]1CC=C[C@H]31	6445851	WJEJCBPKPWKMSC-CEPYQALNSA-N	517.434	6.067	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccc(OCC)cc1	20065174	CIPAFAVGGOCPJM-AREMUKBSSA-N	503.624	5.191	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3cccc(Cl)c3)c2C)c1	20243666	WAANNPFUZCPJOD-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)sc2c1CCCC2	97946834	NXOKAXQZCHQXBK-BMRADRMJSA-N	575.046	5.803	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	97960808	UMTIUERUTGDCLC-ATZGPIRCSA-N	539.636	6.061	50	40	KKGB	
N#C/C(C(=O)NCCNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1	97966689	RMSPYVUZBJYRHN-WWQXANOUSA-N	793.758	6.779	50	40	KKGB	
CCCCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)OCCCCCCCCCC)cc2)o1	97970551	URBORYAYMWSVLN-TVKQRKNISA-N	563.779	9.835	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1Cl	100119214	UHTRJOLMGLXJPU-KPGMTVGESA-N	603.959	6.784	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3c(O)ccc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100853178	SFXGLYIVEPDNAI-APTWKGOFSA-N	549.700	6.641	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1	100858536	YCRRSEITIWGMBP-UVHMKAGCSA-N	602.308	5.162	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccc(Cl)cc3Cl)nc12	100905997	SULGTTMWZJGNQF-LDADJPATSA-N	591.270	6.203	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1	101036966	CLCSAXGENDWAET-WJOKGBTCSA-N	565.695	6.384	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Cl)c(Cl)c3)nnc2-c2ccc(C)cc2)cc1	101506491	LBAIKUIVFBDDSE-STBIYBPSSA-N	540.476	6.191	50	40	KKGB	
O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O	101656029	AOVLXGIHOJHKFA-RPPGKUMJSA-N	587.843	5.206	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2nccs2)N[C@@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	102139653	KEUDYZPWVHJBIR-HMFYCAOWSA-N	585.054	5.402	50	40	KKGB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(COc4ccccc4-c4ccccc4)cc3)cc2)C1	103041826	AMVXTENZQVKNON-PLQXJYEYSA-N	597.737	5.674	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)Cc2ccc(Cl)cc2Cl)cc1	103610589	JWZDBSMGFWUTOQ-VVEOGCPPSA-N	558.409	5.662	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2ccccc2c1	103884088	NWLDVCBROZBOJZ-USHMODERSA-N	596.525	6.836	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1	104766494	YSJKJVHDTBNZGL-DPNNOFEESA-N	576.436	6.628	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCc1cccc2ccccc12	105221176	DNKDEPUCGSKWTE-HNSNBQBZSA-N	606.504	7.022	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	105626813	TUBXKABQZPKJLA-ZRGSRPPYSA-N	547.307	5.192	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1	150385200	AKLMEPLBHGSCJK-FDALDRLYSA-N	645.612	7.869	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	150425561	OJHGQAYWRHRGCB-RQZCQDPDSA-N	725.777	7.486	50	40	KKGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1	150452595	GZPOIVLPXXSBAJ-UHFFFAOYSA-N	659.089	5.097	50	40	KKGB	
Cc1cc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc(C)c1Br	150477750	RCDGOKSQBYLTEC-SDJCNWFZSA-N	653.209	5.394	50	40	KKGB	
CO[Si](CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC	196093272	QBCZUSAYMQPFBK-UHFFFAOYSA-N	661.403	5.141	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(Cl)cc2)cc1	198317040	MRQMZBRWOZYTJD-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)ccc1OCc1ccccc1	408536836	BIDPKTXVKXMVLU-MFKUBSTISA-N	662.378	8.314	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552521	QLWFBEPZXNDOJT-SXGWCWSVSA-N	623.718	7.371	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(F)cccc3Cl)c(Br)c2)cc1	408607974	GEKYFLWNIABNSY-XODNFHPESA-N	532.797	5.472	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccccc1	408645554	SLEXOLYWNJTGTG-VQHPVUNQSA-N	617.121	5.156	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408654833	QVQDGJLNBPMKRB-ALGSGBDSSA-N	720.823	5.639	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408664132	YUOYMMNGELUKFY-UFGGAMNASA-N	657.186	5.790	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1cccc(C)c1	408677807	VAOFJDJKRFNVHD-UXHLAJHPSA-N	583.470	5.941	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408677891	FHBYYVSYGFWRIN-IXFQNSDBSA-N	566.677	5.183	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc(I)cc1	408711741	IKYREUWEOYMLGB-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
C=CCOc1c(Br)cc(Br)cc1/C=C(/C#N)c1nc2ccccc2n1Cc1ccc(Cl)cc1	408733691	ZRSTUUQXFJYIML-UNOMPAQXSA-N	583.711	7.892	50	40	KKGB	
COc1cccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c1OCc1ccc(Cl)cc1Cl	408735000	IRTZSMVZMSWNFJ-KVSWJAHQSA-N	545.814	5.038	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc(Br)c1OCc1ccccc1	408739105	XNQZHCFJEGXYIO-HEZBAJEJSA-N	655.549	6.506	50	40	KKGB	
CNc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1I	408740825	IHTNFNNXFDLAOD-QPSGOUHRSA-N	573.987	5.008	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1I	408747148	JOKGGCIABKOEJD-IPBVOBEMSA-N	619.670	6.612	50	40	KKGB	
Cc1c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408747671	RILPOLHNEZDBHS-UZWMFBFFSA-N	518.573	5.292	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccc(C)cc1	408762989	DAXAWCRBUXFKAU-UCQKPKSFSA-N	517.423	6.619	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408765760	XRKSNJICDQYANO-IPPBACCNSA-N	558.645	6.042	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408789665	QTVQVVXUUIWKIN-CAOOACKPSA-N	689.118	7.636	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408792831	LNSLSDCEQJVPPF-CAOOACKPSA-N	591.245	7.187	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I	408793431	FKYSXJDVABIMEK-NTUHNPAUSA-N	541.570	5.265	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc2ccccc2c1	408795519	VPVHUNOVYARNDB-FSJBWODESA-N	561.863	7.697	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)c1	408796968	PZZBIPSYFKPFLB-CIAFOILYSA-N	505.368	5.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(I)cc1	408796986	QBGNLOPYQPJSLM-RQZCQDPDSA-N	719.144	7.726	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408804102	VUXCDYKRIMZDDL-LDADJPATSA-N	501.797	7.170	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(F)cc1	408810654	KZMDTTGDYURLOE-MTJSOVHGSA-N	539.401	5.798	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)o2)cc1	408827071	FTAHOXSGXCJFIY-MOHJPFBDSA-N	517.651	5.335	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408827553	KIKGNULJEOUYDB-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4cccc5ccccc45)c(Cl)c3)cc2)cc1	408830938	ZBJAVJQYLBEBCL-VUTHCHCSSA-N	559.065	8.505	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408836971	XJLWGRFFKNRNSY-BUVRLJJBSA-N	570.001	6.960	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1	408837358	CYXSPYFQVAVZIP-ALQBTCKLSA-N	667.140	5.889	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408842979	KYJXHEXLBSOBGS-QNVXDBMFSA-N	725.846	8.624	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408852370	SWQMRLVWSBLHFM-FXMZOFOKSA-N	779.992	7.510	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1	408860823	FXWZUJJIAGBPJV-ALQBTCKLSA-N	625.534	5.034	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2cccc(C)c2)cc1	408860962	JRRCXAUMWNXFTR-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	408860995	KOUMZPFRERXLHD-XJECJHNESA-N	721.457	7.006	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408862453	YZFXOSQOJPKZPB-ALQBTCKLSA-N	682.593	5.708	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1Cc1ccccc1Cl	408866444	GKVHNIMHVQVCIV-LICLKQGHSA-N	516.222	6.901	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408879149	FRASJLTZSDMMBA-NTEUORMPSA-N	529.292	6.156	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(F)c1	408889789	HDBDREOJOFPRQK-CAOOACKPSA-N	504.867	6.631	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OCc1ccccc1	408890071	NIINJZDJBYPCOE-VCHYOVAHSA-N	603.800	6.376	50	40	KKGB	
O=C(Oc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl)c1ccccc1	408895147	MFIFDUPNOQAOSF-FDAWAROLSA-N	519.384	5.599	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)ccc1Br	408904836	PHXWOXIYKAGKLZ-MBTHVWNTSA-N	533.382	6.554	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1	408941997	FCSSSEGGBAPTJQ-LJAQVGFWSA-N	773.606	5.062	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCc1ccccc1Cl	408954935	NTHWNVIIJONAAX-GQZAJMAYSA-N	647.128	5.376	50	40	KKGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCCOc1ccc(C2CCCCC2)cc1)C(=O)NCc1ccccc1	408969884	WHBOSNCJOVMIJM-ZXVVBBHZSA-N	525.605	6.324	50	40	KKGB	
COc1cccc(OC)c1/C=N/NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	408971060	GZZNWMDODUGSTR-XODNFHPESA-N	570.882	5.005	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3C)c2C)c2ccccc2)cc1	408981974	WXZFWGFBWLSOPL-FUGGPRTCSA-N	542.705	5.579	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccccc1F	408983948	OUNDEWGNEYGLBW-ZDLGFXPLSA-N	576.793	6.525	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br)Nc1ccccc1	409011423	NINHCQFHMSMUKL-KVSWJAHQSA-N	697.121	6.344	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1	409047060	MLKFDZJSDUVMJB-LICLKQGHSA-N	576.672	6.998	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409062410	UGSZJJWTJWYQKR-IPPBACCNSA-N	536.456	5.597	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1	409076797	BWMVQIQWDZZSLD-NTUHNPAUSA-N	585.168	6.761	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)cc(Br)c1OCc1cccc2ccccc12	409090661	MZLGIXRMRIGTKV-WKULSOCRSA-N	564.392	5.958	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccccc1	409111061	AEZHXBBHBZTIQK-GTWSWNCMSA-N	531.597	6.634	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(OCC)c2)cc1	409159145	VABBJXXFDFPLMN-VTNSRFBWSA-N	601.487	5.677	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409217337	PGPDYZGNXMCABX-BRJLIKDPSA-N	581.819	5.674	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c2)cc1	409223973	HZGWCPLCMRODSV-UHFFFAOYSA-N	669.757	7.409	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1ccc(Cl)cc1	409224835	MKRAQMOUBPNSEP-VBQLZTBCSA-N	576.996	5.215	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccccc3)c2)cc1OCC	409224858	LCVGBGIZIRCHLK-UDLCCUIJSA-N	735.429	7.644	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)c2)cc1	409227074	XIHVHLVIOFVRTO-UHFFFAOYSA-N	507.546	5.239	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1Cl	409248492	GTXDBFWURGPMLF-LFIBNONCSA-N	545.220	6.319	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1	409254132	HWEGYSGQBLXMIB-DJKKODMXSA-N	631.752	7.353	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC	409301042	CFAVFPCXSOUTNJ-MBTHVWNTSA-N	527.961	5.397	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)cc1OC	409312087	JWCKTMVJVPVGPO-YNFMAFFXSA-N	643.159	7.435	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1OC	409316725	MCFAXDRLZJJUAL-NUJZUDFISA-N	610.730	7.005	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)NC(=O)[C@H]2C(=O)OC)cc1Cl	409317278	OPMDERDNGFHXOJ-UXHICEINSA-N	681.314	6.283	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409317520	UUIMUULXUWJYLD-MZFJOGFUSA-N	579.074	6.158	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)ccc1OCc1ccccc1	409334613	UJERKRVHMLYSAN-LJUMEUDFSA-N	674.367	6.331	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)cc1	409395148	KKKFEMVXRRNBNE-UHFFFAOYSA-N	760.664	8.768	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)cc1	409395897	SZELWWWWPTZIEW-UHFFFAOYSA-N	699.758	8.144	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396141	CWMDUEOFOPIKAK-UHFFFAOYSA-N	622.508	8.677	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397046	FNKUYZVPEKCDQU-UHFFFAOYSA-N	616.899	7.633	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)c1	409398565	UOWQMGZNUSPTQW-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OC	409399887	ADKUFWRABCVNJW-CPDSRJINSA-N	586.870	6.463	50	40	KKGB	
CCOc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	409399974	APOQOYOODSHRAT-UHFFFAOYSA-N	566.452	6.200	50	40	KKGB	
CC[C@H](C)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401015	FZCPTERUSUMPCH-KWMKVIAQSA-N	520.029	6.861	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4F)c(Br)c3)o2)cc1	409405412	TYWUZOLDWLXDIN-RODHXAHZSA-N	650.932	8.164	50	40	KKGB	
O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl	885164188	NNFLGAQKBGMBKC-UHFFFAOYSA-N	943.037	10.614	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CC(C)(C)C3)cc1OC	1064837	HSGWLTRQGUVUQN-QHCPKHFHSA-N	526.406	5.546	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccccc1C(F)(F)F	2705830	PMEOKRDACSUDAU-VFLNYLIXSA-N	561.383	5.409	50	40	KKGB	
CCCCOc1ccccc1/C=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1	3658243	OOKLGDMOWHXFHE-MTDXEUNCSA-N	514.047	5.173	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\C(Cl)=C\c3ccccc3)n2-c2ccccc2)cc1	4459093	HWBLGPRZXUGPQN-CJBNVOHASA-N	504.015	5.417	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1OC	9494982	JQHDWQKAOLKEFY-LPYMAVHISA-N	524.086	7.209	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)c1ccc(-n2ccnc2)cc1	12564069	IXXWQSYTUBBBQL-GOJREDGKSA-N	507.597	6.909	50	40	KKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3nnc(NC(=O)c4ccc(C)cc4)s3)c3ccccc32)cc1	16945821	FCFIMGYJKSFKSJ-OKCVXOCRSA-N	522.634	5.103	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1Cl	19901188	JJJRTVUCQATDLQ-QHCPKHFHSA-N	514.434	5.790	50	40	KKGB	
O=C(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	95671193	UVJKQOBSOWPCAF-UHFFFAOYSA-N	526.968	5.917	50	40	KKGB	
CCOc1ccc(-c2csc(-c3cc4ccc(N(CC)CC)cc4o/c3=N\NC(=O)c3ccccc3Br)n2)cc1	97957880	WQLGZYOPRSZEOA-GXVXDJONSA-N	617.569	7.476	50	40	KKGB	
CC(C)(C)c1ccc(OP(=O)(c2ccccc2)c2ccccc2)c(CP(=O)(c2ccccc2)c2ccccc2)c1	98045901	ZHFHVKQLGJRNRN-UHFFFAOYSA-N	564.602	7.806	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)N1	98048739	VGZOGSCAPFYDDZ-HHHXNRCGSA-N	549.479	7.049	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC)cc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852078	AUPQIXUKZLADNU-KCSSXMTESA-N	589.718	5.509	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)cc1Cl	102537196	NBQVXQUCZFMGQT-PMERELPUSA-N	570.114	7.869	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)/C(C#N)=C3/Nc4ccccc4S3)nc3sc4c(c3c2=O)CCC4)cc1	103077890	QWBBLABZNWGCDP-MOHJPFBDSA-N	544.683	5.559	50	40	KKGB	
C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527771	IYNXASCSZLGJOC-VKHMYHEASA-N	588.039	7.209	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1	103741313	ZAVCPEPULSNMKX-GHIWRQRASA-N	531.943	5.694	50	40	KKGB	
O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	103746286	ZGIUQESQARPJMD-WKULSOCRSA-N	527.846	6.089	50	40	KKGB	
COc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)o2)cc1	104150318	GPHBSTSRDQGXKM-PQHLKRTFSA-N	624.701	5.755	50	40	KKGB	
CCOc1ccc(/N=N\c2ccc3oc(=O)c(/C(C)=N/NC(=O)CC(=O)Nc4ccc(Cl)cc4)cc3c2)cc1	104292084	XDIFPRCWMHKNKS-UGICJSDJSA-N	545.983	6.130	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](C)SCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709468	GYIBMBVQJPPVBO-QSUITGLBSA-N	541.717	6.692	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1C	106421572	BZQBBFMTCCDNIF-WCMJOSRZSA-N	580.320	7.253	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341845	JWNFFIOLMGMTMK-LJQANCHMSA-N	962.492	15.357	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	162450278	LLXDWAKMGWSEML-QNVXDBMFSA-N	637.511	7.074	50	40	KKGB	
C[Si](C)(C)Oc1ccc([C@@H](Nc2ccc(F)cc2)[C@@H](CC[C@H](O[Si](C)(C)C)c2ccc(F)cc2)CN2C(=O)OC[C@@H]2c2ccccc2)cc1	198237791	IUUHLCBMXXGIDB-AUUUEPFHSA-N	702.991	10.514	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(Br)c2)cc1	408538199	KBXUQOKXOBUVSV-MFKUBSTISA-N	692.404	8.323	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1Br	408540013	LSQYOOMASAXSNN-PKAZHMFMSA-N	538.324	7.277	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)N4CCCCC4)cc3)c(OC)c2)c1	408543339	QHYXVOWQPRVDKY-ITYLOYPMSA-N	539.632	5.845	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(Br)cc1	408548002	BQHQFIPVWZOVGK-FMCGGJTJSA-N	549.262	8.017	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1ccc2ccccc2c1	408549621	VUXDEALLRPRBML-JJFYIABZSA-N	556.230	8.394	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1	408569822	QFUYXOMNSRVZFY-CCVNUDIWSA-N	561.498	6.175	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1ccc(Cl)cc1Cl	408581496	XIHKVGLDHCFTPO-GIDUJCDVSA-N	556.056	8.301	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1	408607140	NASDGKMFQWOFIP-INIZCTEOSA-N	500.382	5.077	50	40	KKGB	
COc1ccccc1Oc1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	408637651	MLKMVKQVVXNAKB-CLOONOSVSA-N	542.415	5.917	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408640812	IWTRYORIKUQQCV-CZYKHXBRSA-N	692.744	5.314	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(I)cc2)c1)c1ccc(I)cc1	408712098	ZJQUYQMSJLJEMO-ZMOGYAJESA-N	582.179	5.239	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2cccc(Br)c2)c1)CCCC3	408733459	XWAUMDKUWWACAQ-VYYCAZPPSA-N	521.440	5.161	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1Br	408738120	OSXLTJPOGFWCRR-LGJNPRDNSA-N	513.189	5.426	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1ccccc1	408742109	MZSGLOILBIGXLX-ZDLGFXPLSA-N	524.314	5.145	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1ccc(Br)cc1	408747964	WHYGTYIPYXOJSQ-KQWNVCNZSA-N	506.403	7.151	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cccc(I)c1	408750090	XHRWJNWZFNWRTF-RWPZCVJISA-N	585.239	6.550	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408762614	LJLCMJAVCIHFSE-FYJGNVAPSA-N	622.453	6.223	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1F	408792389	AZBRILCJCWDDGV-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408796015	NYZXWBZQGWPIBR-RQZCQDPDSA-N	501.753	6.470	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCc1ccc(Cl)c(Cl)c1	408802469	YGZIYMYEUFFPEO-UDWIEESQSA-N	511.405	6.834	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1Cl	408809613	IHEKCILFJOIAKY-GXDHUFHOSA-N	518.784	7.014	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccccc1F	408809799	JGZKNOUHHMRJLJ-MTJSOVHGSA-N	539.401	5.798	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1Cl	408814944	QUBXQFOGTMPMMQ-MTJSOVHGSA-N	555.856	6.312	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	408827257	IJECRDZQBJGHSU-PPOKSSTKSA-N	605.116	5.645	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c2ccc(C)cc2)cc1Br	408827537	KJHRVLVYHJHAFY-ODQASSKESA-N	800.353	7.769	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)Nc1ccccc1Cl	408829276	OXYICSJOASKYBJ-JHGCKGDJSA-N	599.112	5.896	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OCC	408829411	JMHSJSBSKJWAMG-GPTKXHSTSA-N	515.635	5.188	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1	408833455	KIUORPDNRZPJGQ-AFUMVMLFSA-N	621.948	9.058	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408838679	HARINTKALNYALB-FJEPWZHXSA-N	642.906	6.596	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)c1ccc(C)cc1	408839001	LLNVTURXTVXZTM-JEPNHJGPSA-N	611.651	5.655	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2Cl)c1	408843808	SGTDCIYOJIOCIZ-IIHBXENTSA-N	593.458	7.793	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408846794	ZAXKDTXJSGWYFM-JAVXJAORSA-N	702.380	8.645	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1	408864399	VDDKMWMSOXNGIW-BIZUNTBRSA-N	587.723	5.349	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408865127	BADMVBHXNZITTD-RGKQAONTSA-N	527.484	6.117	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1Cc1ccccc1F	408869630	SWHWENFWWCPQJE-VXLYETTFSA-N	527.821	7.085	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1Cc1cccc(F)c1	408873595	SRIGAKFDTPYAPE-FRKPEAEDSA-N	581.212	6.882	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408884318	YGFMJKUPDFJVEQ-MZJWZYIUSA-N	578.790	5.335	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408887781	UDLYRWKSWVAOOL-RIYZIHGNSA-N	597.230	5.977	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OC(=O)c1ccccc1	408890542	VLFPWGOOXNDENV-LQKURTRISA-N	503.352	5.594	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OS(=O)(=O)c1ccc(OC)cc1	408923904	LBIJHAQSTBQGSM-NBVRZTHBSA-N	546.523	5.426	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(I)cc1	408926661	XHVXJWQUYUNJBQ-HMMYKYKNSA-N	564.810	7.222	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cccc(C(F)(F)F)c1	408963046	LWDCTLDIFVCHLO-KKMKTNMSSA-N	522.277	5.719	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408971576	JIWPVRFFTGWZIU-LGGANVPRSA-N	650.341	5.454	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	408990011	VYFXMPQYPJHRJC-OCKHKDLRSA-N	585.683	7.170	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C(\C#N)C(=O)NCc5ccco5)cc4[N+](=O)[O-])sc3c2)cc1	408991964	PITPBEFMXXHRDZ-FYJGNVAPSA-N	595.662	6.733	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5)cc4s3)c([N+](=O)[O-])c2)n1	408993157	UXMRSBGAURRLDT-FYJGNVAPSA-N	580.651	6.669	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Br)cc1	409001638	JVVFWBGAVGEFDH-CIJDEGAQSA-N	827.333	6.444	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409003671	UATBHVYJGXRKBR-PMOPRMPASA-N	726.409	7.043	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Br)cc1	409006083	LTSHCOITJAURSE-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409018391	UVKPRAJDPXWEQC-DROGLKGYSA-N	648.418	7.752	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1	409048034	QMTISBYMXZPLJH-CXUHLZMHSA-N	554.198	6.639	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1	409078104	GPEFHEFADQZRLM-MHWRWJLKSA-N	545.857	6.392	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409084421	XWSRYNODAXZEET-RAWMCFOBSA-N	553.196	6.016	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409088455	JQUQMDKJVBQTBX-OVCLIPMQSA-N	513.293	6.456	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccccc1C#N	409127522	NKORVQCSQZBAMQ-DEOSSOPVSA-N	565.367	5.064	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1ccc2c(c1)COC2	409136679	SRXHOZRZLVLOOA-MDNJYTRKSA-N	570.237	5.625	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)c2C)cc1	409188510	ZUHNTWRQBDASGM-BRJLIKDPSA-N	535.236	5.487	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccccc1Cl	409248151	CGCDVMNZVDSDJP-GZTJUZNOSA-N	529.902	5.931	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409251652	QBLKVCWHSWRBRO-CXUHLZMHSA-N	591.643	6.855	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	409262926	GGWUOMYRVBYDQK-LGJNPRDNSA-N	548.231	5.572	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2)cc1C	409269685	LQCWTHGGMDGZTQ-MWBNBJEGSA-N	610.139	7.605	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)cc1OC	409312865	NYMSBESWMGFWRC-UHBFCERESA-N	604.416	5.745	50	40	KKGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)=C2C#N)cc1	409322973	YWYRWGZJUBFTRR-INIZCTEOSA-N	554.388	5.577	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409361212	AXBGFXVKQGMJBG-MHWRWJLKSA-N	562.317	6.170	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409362216	IKQVWTWXCHKTOX-XAZZYMPDSA-N	601.726	7.159	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1I	409373975	JCGSFVMXGNMQSL-QPEQYQDCSA-N	555.157	5.543	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccc(C)cc1	409384910	FZPOTCSOEAKRKQ-UVHMKAGCSA-N	554.422	6.232	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cccc(F)c1	409393309	PYUWQYPIZCTJKX-IUXPMGMMSA-N	660.062	7.441	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)cc(OC)c1OC	409395899	SZQFQKIHAZIHIV-UHFFFAOYSA-N	833.271	7.973	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409396380	YAUMNTKYHPWWOI-UHFFFAOYSA-N	538.003	6.870	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397553	LEGBFZBJEFUVIQ-UHFFFAOYSA-N	551.530	5.694	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1	1529547961	SNETVDRAPPQTHO-AHKFIOAWSA-N	813.512	6.671	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(OCC)c1	1529548190	AVEFBLULGAMBKZ-WTIDAYISSA-N	731.669	6.465	50	40	KKGB	
COc1cc(Cl)cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc([N+](=O)[O-])c1	1531386404	DWKIOQWVFIOCBH-MWBNBJEGSA-N	629.069	7.179	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)ccc3O)n2C2CCCCC2)cc1	1765380	PKEHXBAAUPSFNQ-VULFUBBASA-N	528.476	5.469	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1	2670912	BQGIXIONDOZDGU-KGENOOAVSA-N	540.442	7.455	50	40	KKGB	
COc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1cccc(Br)c1	2801762	NZNAFPKYPXEIKV-DHLKQENFSA-N	515.411	5.630	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)cc1	8443112	QCGVMRUTWRBBMG-NDEPHWFRSA-N	564.667	5.438	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccncc2)cc1	20233067	OFAMZWVODULYLF-UXHLAJHPSA-N	519.026	5.203	50	40	KKGB	
OC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F	95681743	MGICORPGWNJZPY-GSVOUGTGSA-N	554.031	5.547	50	40	KKGB	
CCOC(=O)c1ccc(COc2ccc(Cl)cc2/C=N\NC(=O)CSc2cccc3ccccc23)cc1	97963939	YGEQDUDSQSQTLO-LJUMEUDFSA-N	533.049	6.491	50	40	KKGB	
C/C(=N\NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1	97965779	JRLZKOGATBXXIC-MUFRIFMGSA-N	579.531	5.248	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1OC	97968708	ORVDYRLORALHRF-LVVXZCGBSA-N	592.515	5.251	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1	97980640	BULVHYLQJOYKGN-WQRHYEAKSA-N	543.929	6.239	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1Cl	100028358	PEPOOLBAYZWNBU-JEPNHJGPSA-N	570.045	5.356	50	40	KKGB	
Cc1cccc(CN2c3ccccc3C3=C([C@H](c4cc(Br)ccc4F)C(C#N)=C(N)O3)S2(=O)=O)c1	100032553	KLHPUSBUADKRFJ-HSZRJFAPSA-N	552.425	5.423	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	100104495	YCBGSHOGUFGYQF-UXHLAJHPSA-N	563.035	5.716	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(N(CC)CC)cc3)nnc2-c2ccc(Cl)cc2)cc1	100242283	HDWRWUZBYGGRML-ZCTHSVRISA-N	563.127	6.075	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303114	SWMKQEISKLSABZ-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332203	NCJFXQRCKDXZSC-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(Br)cc1F	100410988	OWQLABZOIXJGHM-LICLKQGHSA-N	530.191	6.475	50	40	KKGB	
CSc1nc(-c2ccc(Cl)cc2Cl)[nH]c(=O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100496685	UISQCNGJMKKCNQ-UHFFFAOYSA-O	548.455	6.085	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1	100991250	CUYJNJINNYVXIF-GOHCDNDPSA-N	522.457	6.675	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)CNc4ccc(C)c(C)c4)c3C)sc3c2CCCC3)cc1	103866635	JAOXFDLZVAFVSM-MWBNBJEGSA-N	567.759	6.774	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(C)cc1	103890555	PECJKRZTMWMEBA-ODLFYWEKSA-N	607.275	7.430	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)C(=O)N(CCCl)CCCl)[C@@]4(C)CC[C@@H]32)C1	118928848	GUCZUMLMUMDVHF-RUCZSRCTSA-N	512.562	6.439	50	40	KKGB	
CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341616	INFFEVOEGDSPKZ-ZDUSSCGKSA-N	828.323	12.381	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C\c1ccccc1OCc1ccccc1	150383267	LHURNKNFKSMCTG-OWKXQNKPSA-N	652.562	5.891	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(C(=O)O)cc1	164742377	QQRMCIUEJZWXJB-MFOYZWKCSA-N	623.230	6.429	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)c2ccc(C)cc2)cc1Br	164784327	MIFQYNSNDZRDKV-PPOKSSTKSA-N	649.567	5.754	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(C(=O)O)cc1	408542252	KDYSNXWXYRDCTC-NVMNQCDNSA-N	592.081	7.315	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408551825	GITRUGKRPNHTEQ-YBFXNURJSA-N	652.514	5.983	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br	408552716	UXLZPMZSBAZQRL-RIYZIHGNSA-N	545.256	5.581	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408581276	VUCLRWRWBUUWNQ-LICLKQGHSA-N	522.837	7.186	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)Sc1nc2ccccc2[nH]1	408598685	IJUPWMZHAPDGMI-CXUHLZMHSA-N	669.713	7.661	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)c(OCc4ccccc4)c(OCC)c3)CC2=O)cc1	408606384	LTSZGKYLVMRXRD-FQEVSTJZSA-N	524.017	5.213	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408657433	UCCPTXBCEMTETG-QAHMESRPSA-N	675.176	5.495	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1	408683046	MHOUNSYTTGAUGK-YZEAIEHJSA-N	566.677	5.183	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2-c2ccccc2)cc1	408740979	GBZLRVWBRXMOED-XICOUIIWSA-N	554.477	8.281	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(Br)c2)c1	408745075	JONPOOSUFAMNQI-ODLFYWEKSA-N	511.803	6.626	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(Br)cc1	408748092	YHCDUIJMEHPDLT-SXGWCWSVSA-N	628.091	7.485	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2I)c1	408748671	BQJLWYRCUKSGNL-CAQPMQTCSA-N	702.330	6.169	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c1	408774387	VPQADNPXXBALHF-GRSHGNNSSA-N	560.275	7.668	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408789404	PVFQBPHMDBJNKT-GIDUJCDVSA-N	537.186	7.333	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1C	408790302	VMOSBOFLFNHUKR-QGMBQPNBSA-N	609.145	8.260	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408790530	WTVFEIOQSRWFSZ-RGVLZGJSSA-N	536.382	6.189	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408794119	RMOLPBPOWYBBES-AWNIVKPZSA-N	528.186	5.252	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408795379	KZJLHSYMMHAAMV-LPYMAVHISA-N	531.837	7.689	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)c(C)c3)c(OCC)c2)cc1	408809633	HOTIFDVLCRORKD-ZVHZXABRSA-N	577.475	6.766	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OCc2ccc(C)cc2)c1	408823301	DTRANFSNKOQDFC-YZSQISJMSA-N	583.482	7.470	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1Cl	408823933	GZDPZZCWOAVMOL-OVVQPSECSA-N	593.510	9.159	50	40	KKGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408835668	XWFYAGXDWMXZDT-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408837345	CRHFFIIYYOHPJM-IPPBACCNSA-N	539.963	5.021	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5Cl)c(Br)c4)cc3)cs2)cc1	408838140	CIOOCONSOJLBRV-KVAAJVFYSA-N	631.983	8.621	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408844727	URVOYWUKPGTESE-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408845583	KQJFBFFRYGOHEI-RMORIDSASA-N	649.020	5.180	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408847060	OTWUZZAVVKAFFN-RGXNXFOYSA-N	605.476	6.785	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1O	408847660	QYJFXFUKMNYIGV-NTFVMDSBSA-N	504.384	5.693	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408860535	XTPVWAMAROUDDN-KBVAKVRCSA-N	613.479	5.826	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c(OC)c1	408872153	ABMRGYSIWITFOY-DJKKODMXSA-N	714.725	6.369	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2cccc(Br)c2)cc1	408873587	SLMUGECRAMGFOE-OCSSWDANSA-N	562.489	5.355	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1	408873967	XVFVNMCLAZFFML-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408879583	BWECUUQEJYNGGA-ZHSUKTGHSA-N	627.937	7.583	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc2ccccc12	408879799	FSLMGOBMGVTBHR-LPYMAVHISA-N	557.400	6.434	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2cccc(C(F)(F)F)c2)cc1	408880357	INOAOWBKUJZTLA-KVAAJVFYSA-N	647.517	6.529	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2OC)cc1	408892727	CBVBTFJQUMGXRG-STBIYBPSSA-N	503.942	5.131	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1	408895406	MRYAFVTZDNFTHB-CPNJWEJPSA-N	572.371	6.284	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1Cl	408938917	APGIHIYDSSIIJJ-MHZLTWQESA-N	661.995	6.111	50	40	KKGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1	408970338	GJQNIHXPYXJLFN-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCCOCCOc1ccccc1C	408971679	JKCCWDQYFIBWMN-KOEQRZSOSA-N	535.040	5.745	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408972812	VVFXLDZDLGOAJL-CTASPCEKSA-N	792.352	8.141	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1	408973505	SWOMYEGONYKDGI-STOIGQLXSA-N	677.585	6.055	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408973617	ZPBUFSXULXWIEQ-PDDOKTDDSA-N	756.421	5.584	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)o1	408989849	JBRUNKOINVQXKC-YYMYZCKOSA-N	546.649	5.539	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1	409013986	LLJDRKMUYDBWGN-UXFINIHLSA-N	593.555	6.753	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1C	409026883	DFYQGXQUIGHYGF-LRGHTXIMSA-N	544.677	5.500	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	409028899	SVLRJKLDQLAICA-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1)c1cc(-c2ccccc2)nc2ccccc12	409046908	SHMNUMFDDRMBQI-CAQPMQTCSA-N	501.542	5.973	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409093410	ZUBOJAWBFFLFKL-RIYZIHGNSA-N	577.269	6.622	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccccc1F	409099306	QAANCNZZVQAXBW-HSZRJFAPSA-N	525.330	5.123	50	40	KKGB	
CC(C)C[C@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	409151798	DCZBDVSARYKCSU-IEJUQREYSA-N	574.461	5.792	50	40	KKGB	
Cc1cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1Br	409165560	ZNBSPPLDSXZSEC-KVSWJAHQSA-N	622.701	5.280	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409217381	BXRBXARXQUHGGP-GBMQDICCSA-N	681.768	7.500	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1	409219149	JMMSGRGFANUQAE-XNLKBRAGSA-N	568.029	6.292	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)c1	409224040	ILQHASWPFUBTJA-UHFFFAOYSA-N	685.756	7.109	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409225240	NRDDRGPMBQLOFA-UHFFFAOYSA-N	595.961	6.603	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409253391	BDFZBPJSVUQVNH-RGVLZGJSSA-N	582.882	6.681	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409262971	KWPUISFZIDRQLU-MHWRWJLKSA-N	558.791	5.813	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409263584	HYWPPUUQXPUDDC-VHFSBPNMSA-N	731.616	7.565	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409266343	QUYRTIRTGWOKPR-UNOMPAQXSA-N	659.864	5.693	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1OC	409317199	SLIQWCIYDFNOBL-QRQIAZFYSA-N	547.029	5.068	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C)cc2)cc1OCC	409318757	ZJKGQOJSMBLLAA-NTFVMDSBSA-N	511.416	5.898	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409324223	SPNLJIMDSLAKGB-VQTJNVASSA-N	586.856	5.294	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409325451	YUBOJTVXIARONK-PMACEKPBSA-N	636.863	6.174	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OCC	409333094	ILZLVIWQANZKDN-MBTHVWNTSA-N	619.412	5.348	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	409371281	HAAFEILMYAQDOF-LUOAPIJWSA-N	590.272	5.550	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409385479	KUJAVXSUTFZLSF-AMVVHIIESA-N	639.325	7.831	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387978	ZISATTCOPXBUOY-LUOAPIJWSA-N	809.161	6.966	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)cc1	409394851	GRMSEJLBFCIOPA-UHFFFAOYSA-N	694.323	7.194	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396227	HQVGZAODGASEBS-UHFFFAOYSA-N	598.055	6.887	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409396690	AEDLPVCMUPOOEN-UHFFFAOYSA-N	607.464	6.851	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409396874	CHKYACBCZGBCQV-UHFFFAOYSA-N	527.502	6.837	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397473	KFQJIWAACBVJQN-UHFFFAOYSA-N	566.057	7.487	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1C#N	409401042	GCQBVIGMBLOIRV-UHFFFAOYSA-N	574.637	6.489	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)o2)cc1	409405256	SIZALYKKQPRJIC-ADJDCTSUSA-N	710.412	8.117	50	40	KKGB	
CC[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409407427	ZSYOSAUAMURXAT-GYJUCFALSA-N	643.376	7.732	50	40	KKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)o2)cc1	409409885	RSCRNRBDHFHQPR-IPHFVPNQSA-N	579.653	7.247	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2C#N)c(OCC)c1	1529549220	VWEPQKANGNCRMJ-POABAVLKSA-N	753.619	5.026	50	40	KKGB	
Cc1ccc(C(C)C)c(OCCOc2c(Cl)cc(/C=N/NC(=O)Cc3nnc(N)s3)cc2Cl)c1	2285071	FMGFJWQQYUVKQW-KKMKTNMSSA-N	522.458	5.010	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Br)c1OCc1ccc(F)cc1	3255696	NNLLYVCYGABBBC-RQZCQDPDSA-N	597.790	7.784	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	13882131	FZPMNDORIRBCQL-OPEKNORGSA-N	507.171	5.478	50	40	KKGB	
Cc1ccc([C@@]2(C(F)(F)F)N=C(SCc3ccc(Cl)c(Cl)c3)C(C#N)=C3C=CC=CN32)cc1	14181604	HMYQNVZBTOUCJQ-HSZRJFAPSA-N	506.380	7.526	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	33661833	URZXXOGWEXOWGD-PDGQHHTCSA-N	501.302	6.593	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccc(Cl)c1	59427671	ZQSSUTOICQNCPS-UZWMFBFFSA-N	520.976	7.137	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccccc2C(=O)O)cc1	59856413	IKJSPFLRISZDRQ-FDAWAROLSA-N	562.047	5.506	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1	97960791	NGFPIWBMXZIEAU-UNOMPAQXSA-N	556.254	6.735	50	40	KKGB	
C=CCc1ccc(OCC(=O)N/N=C/c2cc(OC)ccc2OCc2cccc(Br)c2)c(OC)c1	97965631	DMZLNARQHNTIGV-MUFRIFMGSA-N	539.426	5.303	50	40	KKGB	
CN1/C(=C\P(=Nc2cccc(C(F)(F)F)c2)(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21	97983378	GDIZPASHQWRDDR-IADYIPOJSA-N	516.547	8.458	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4ccc(Cl)cc4)s3)C3=C2C(=O)CCC3)cc1	98006239	LDVREVWRQZTQNP-HSZRJFAPSA-N	550.109	6.187	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	98048692	ZVCJQPFEAWHCAC-LJAQVGFWSA-N	552.700	6.273	50	40	KKGB	
CN(C)P(=O)(Nc1ccc(I)cc1)Nc1ccc(I)cc1	100286649	DZCLHLAIYIJSPX-UHFFFAOYSA-N	527.084	5.090	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(Cl)c2Cl)=C(C#N)[C@@H]1c1ccco1	101305291	MOJYJFYNEKIZSC-JOCHJYFZSA-N	554.455	6.355	50	40	KKGB	
Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)oc2ccc(Br)cc12	101394490	BPFLBLUCEOKKRX-QFIPXVFZSA-N	553.771	6.734	50	40	KKGB	
Cc1sc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2cc(Br)c(C)s2)cc1Br	101656599	ZUVMOSXSNNIWLL-DWGHPKEWSA-N	590.407	6.283	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	102807390	FIYVNGWWSMAFED-VWLOTQADSA-N	564.461	5.853	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccccc1Cl	102932800	BKTZJNJTKREOBV-LZYBPNLTSA-N	558.772	5.850	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889317	GMRVIUKCLSYFPC-NVNXTCNLSA-N	571.085	8.187	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)ccc1I	223504992	RVZRPKBQOQESNN-VYYCAZPPSA-N	531.438	5.782	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br	408567896	GRTYGQBEFYMGRY-ZVHZXABRSA-N	508.507	5.303	50	40	KKGB	
O=C(NNc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408612160	XTSKFBHBWOUERK-INIZCTEOSA-N	549.252	5.831	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408637535	AFYJBXHJIBJTGI-RVDAZCDBSA-N	714.065	6.806	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408639380	FRHFIFUOQYRZEB-UCDDGIFISA-N	787.310	6.232	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O	408648499	WMQLMQGYEGSFSH-LQYAQLHQSA-N	592.306	5.938	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1	408711684	FOQBLJQTJLSDOU-MWLSYYOVSA-N	545.861	6.172	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccccc1Br)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408720338	ZDTLYWNSKAKLEU-LQKURTRISA-N	530.875	6.128	50	40	KKGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1	408722352	SQOZGQKJHLJUTK-NJZRLIGZSA-N	527.646	5.633	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(I)cc(I)c2O)c(Cl)c1	408739424	BUGKTRXEHFNKIJ-YSURURNPSA-N	619.628	5.426	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)c1	408746292	RNFGAHRHOQSNLW-JAIQZWGSSA-N	570.281	7.043	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1cccc(Br)c1	408754879	OXASXAYOAQQAQQ-IUXPMGMMSA-N	603.210	5.907	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408763415	ODASTPSAMGXPNF-HAHDFKILSA-N	544.424	7.120	50	40	KKGB	
COc1c(I)cc(I)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408787689	DWQQROQAZKQKBQ-WOJGMQOQSA-N	636.227	6.029	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408798816	XGRDLEHLADUDFK-SRZZPIQSSA-N	597.409	6.340	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(C)c(C)c1	408802028	YCPKQPMZVZBSAD-KEBDBYFISA-N	574.302	7.896	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2ccc(Cl)c(Cl)c2)c1	408807758	OPUZABBJPTUTNJ-LFVJCYFKSA-N	559.449	7.706	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408819514	ZDIOZROEERXWIX-BUVRLJJBSA-N	573.874	7.806	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1	408820192	UKZKBMNLGDTDCY-QRVIBDJDSA-N	653.314	7.018	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1	408825324	BDLVBGLRWZVEGW-HZQMBONKSA-N	762.310	5.666	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OC(C)C	408826795	KWMZEEIVCCLOSO-RGVLZGJSSA-N	559.877	7.957	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	408833108	VQFFTCTYNRIJQP-WEMUVCOSSA-N	557.672	5.643	50	40	KKGB	
N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408843571	MEJBLJFUGLMVDF-XJECJHNESA-N	642.966	8.184	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc2cc(Br)ccc2o1	408844033	BNXFHQQROIZBGM-LGUSAWBASA-N	745.105	6.476	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845864	SAOMRSAZBGCPJA-PTEHHBOZSA-N	778.297	9.571	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Br)cc1	408855387	MHRLXNVMUZJVBH-PPDIBHTLSA-N	572.209	5.999	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c2ccc(C)cc2)cc1	408861457	ATMQWVAARUMDNO-XICOUIIWSA-N	636.170	6.370	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3Br)c(OC)c2)cc1	408873373	PZAOSFNVFFCFHJ-UDWIEESQSA-N	601.282	6.761	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c([N+](=O)[O-])c1	408881322	MQHNRKPBYTVRPW-VCHYOVAHSA-N	571.225	6.553	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1Br	408881970	MQXYHTNSZBYLHN-RIYZIHGNSA-N	510.613	6.284	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OC(=O)c1ccc(Cl)cc1	408888301	YSWLCJHYLMUIGP-GZTJUZNOSA-N	558.759	5.718	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408890830	ZVRRLDMRZHCLFB-MHWRWJLKSA-N	508.874	5.811	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1OCc1cccc(Cl)c1	408896192	QAROAPQITFGIDV-ALQBTCKLSA-N	551.127	7.311	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1	408946299	MCWCWQOCRYRYSU-LJAQVGFWSA-N	655.148	5.342	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccccc2Cl)c(OC)c1	408957459	UOYFLTONCKOOJR-VVYBVRPNSA-N	811.855	6.015	50	40	KKGB	
O=C(N/N=C/c1cccc(OC(=O)c2ccccc2F)c1)c1ccc(OCc2ccc(Cl)cc2)cc1	408958560	YZEJUJKSIZQLJO-KBVAKVRCSA-N	502.929	6.041	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	408971826	QRIANTGKFZFZSH-WUQZZNSYSA-N	522.045	5.287	50	40	KKGB	
O=C(NN=C1CCCCCCCCCCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	408973430	MVSSUFOFVNNCJX-PMERELPUSA-N	505.728	6.894	50	40	KKGB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c3ccccc3)c2C)cc1	408980872	TZEHZZSUIHOGJO-QRGYCXFASA-N	532.641	5.379	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408986990	NYUFXECMIUBCAP-IDUWFGFVSA-N	627.693	7.693	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1)c1ccccc1	408987195	ATRKNDPGAWSJFO-HGMDYVATSA-N	543.605	5.622	50	40	KKGB	
COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993423	CSCGLGYSAMBKTI-PMACZMFHSA-N	676.196	7.314	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl	409001126	HBEDWSVQVSDKDF-DAFRAAHKSA-N	558.421	6.628	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409037975	ZAXNUQQWVLGTQP-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409070473	YDPCJGVZLXYCOM-YDZHTSKRSA-N	507.417	6.533	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1cccc(Br)c1	409126334	OMSNLOMHSDOWNE-VTNSRFBWSA-N	641.519	5.113	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(F)cc2)cc1OC	409135369	YUDDJVHQVTTYKC-DPNNOFEESA-N	612.079	5.421	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409159483	MRXGXTUCYVEHSS-MHDJOFBISA-N	574.987	5.944	50	40	KKGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)o2)cccc1[N+](=O)[O-]	409163085	LRPIJGYTVFVNTP-UAXWITGPSA-N	517.369	5.375	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409211804	NCBNWSXCEACZMD-XKZIYDEJSA-N	509.389	7.672	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409220373	YCPWTPWMZMQTIV-UHFFFAOYSA-N	745.178	7.118	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409233812	HRFMDPMWXJJZKV-WQFTWXBESA-N	597.409	5.961	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409233976	VCXBJWPWCKOKKN-IPBVOBEMSA-N	598.350	6.383	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	409242273	WNOFQWPEUVCIJN-FPJJECCMSA-N	539.857	6.865	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1Cl	409252305	DASFUTFXAJJXLR-PXNMLYILSA-N	638.143	7.390	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)ccc1OCc1ccccc1	409255264	HNYPJICQMFLHJI-QMRORBIVSA-N	626.924	7.406	50	40	KKGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccccc1	409270027	NURCXRIWISYROJ-MZFJOGFUSA-N	547.640	6.335	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Br)c1	409272317	POMILXZMCVFMAV-ZRGSRPPYSA-N	590.228	5.210	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1OC	409302869	LGBGDELQZJNWIP-NUJZUDFISA-N	594.275	6.491	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC	409318717	XKJXMTDBWQNFIP-QQXSKIMKSA-N	506.471	5.023	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc(I)c1OCc1ccccc1Cl	409332105	GQRYPFPBPJSTAB-GESPGMLMSA-N	607.861	5.191	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccccc4)c(I)c3)[nH]c2c1	409374751	YLFDCINEQQUIMM-ZDLGFXPLSA-N	617.228	6.724	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	409375123	FXJQQDPNJCPPHE-GZTJUZNOSA-N	529.902	5.931	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409375592	MTWOTIZKULABNN-UUYOSTAYSA-N	673.292	6.724	50	40	KKGB	
O=C(O[C@H](C(=O)NNC(=O)c1cccc2ccccc12)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1cccc(C(F)(F)F)c1	409382453	MOTPTCVGZAVOTD-BJKOFHAPSA-N	662.495	5.174	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409394514	BKMWURUCZAAJHT-UHFFFAOYSA-N	660.908	7.168	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409395466	NXNJMUAYNKSPRH-UHFFFAOYSA-N	668.897	8.870	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(C)=O	409395769	RMQRZSUFBUDPRM-UHFFFAOYSA-N	640.490	6.823	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409397854	ORUVSKVHJNOOCR-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccco1	409398493	UABVHGNVANCUPS-UHFFFAOYSA-N	562.807	6.827	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398938	WSIYNLICAWKKKU-UHFFFAOYSA-N	613.424	6.497	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409399040	XOGYNKHDVOSIJG-UHFFFAOYSA-N	612.480	6.988	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCC(=O)Nc4ccc(F)cc4)ccc4ccccc34)o2)cc1	409400247	CFNMHEHOJFAVCY-XFDYYPNTSA-N	630.676	7.340	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OC(C)=O	409401818	IEGTWMBKFFEYBR-MNDYBZJGSA-N	580.435	5.726	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccccc3Cl)cc2)c1C	1529548809	FFVNXXSRFHCXBP-OPQHIAOESA-N	686.234	6.212	50	40	KKGB	
C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@]2(C)[C@@H](/C(C)=C/C=C(/C)C(C)C)CC[C@@H]12	1560406204	LDQHQYBDQAOWFZ-KGWFKZIHSA-N	508.907	10.735	50	40	KKGB	
Cc1n[nH]c2c1[C@@H](c1cc(Br)c(OCc3ccccc3Cl)c(Br)c1)C(C#N)=C(N)O2	661041	QPDGUIHYUDHLFB-SFHVURJKSA-N	550.638	5.694	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])n2-c2ccc(Cl)cc2)cc1	1818295	OKWKXTVOOAHLTJ-VULFUBBASA-N	506.975	5.047	50	40	KKGB	
O=C(Cc1coc2ccc3ccccc3c12)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	3364966	TVFFHRBUZDADMO-UHFFFAOYSA-N	506.587	5.758	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CCCCCCCCCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	9355084	SXPAZZKGHCOPEZ-QBRCKEFASA-N	520.722	5.320	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)c2C)c1	58915417	MDKLOFAQHLBIML-NDZAJKAJSA-N	514.651	5.300	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(C(=O)O)cc1	59104415	RONCYIPTTZAPJH-IWIPYMOSSA-N	509.562	5.110	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	59646401	WYJRIZIIJYPFON-DWWPEJCJSA-N	550.467	6.792	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl	97940193	JCJRWPFIRBNJLQ-QFIPXVFZSA-N	535.050	5.752	50	40	KKGB	
CCc1ccc(/N=C(O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1	97968697	LZMDJRDFNHDSEP-MIXNUDJGSA-N	522.457	7.270	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1	98001726	YHFUHLALCHIBRN-KBKYJPHKSA-N	656.081	5.631	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126120	SEMTUJBHHDXCAA-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Oc1ccc([N+](=O)[O-])cc1)[C@H]2c1cccs1	100141866	YKPYVLXFNGAFTL-SANMLTNESA-N	503.580	5.878	50	40	KKGB	
Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1	100990573	URDLUQJZRJBVKR-NLTRVXJZSA-N	532.463	5.500	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	101509956	MWPYQOQGTGYKGN-ZMFRSBBQSA-N	524.327	5.455	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)NN=C1CCC(=NNC(=O)COc2ccc(Cl)cc2Cl)CC1	103745557	CLEYXAWAFNKRTM-UHFFFAOYSA-N	546.238	5.276	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1	104952410	YVMNPMMIYLGUNL-GZTJUZNOSA-N	530.191	6.475	50	40	KKGB	
CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341765	XPKHPHPXLKGAHF-KRWDZBQOSA-N	634.396	10.765	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795298	UCJXUPDPHXBZJM-RNFRBKRXSA-N	988.061	12.022	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@]4(Br)C[C@@H](OC(=O)C[C@H](C)CC)CC[C@]4(C)[C@H]3CC[C@]12C	217205544	VKBCMZKYIQGGGT-VUXRRQNKSA-N	644.617	10.635	50	40	KKGB	
COc1cc(COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccccc1	408538177	JZPSXGBNQQEZKZ-KEGTUQKMSA-N	675.210	9.138	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408540934	CYHYJJMSYNGLJD-IUXPMGMMSA-N	684.655	6.372	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1cccc2ccccc12	408544457	WDWVSQASAOHVDL-QRVIBDJDSA-N	571.427	6.824	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)c(C#N)c1C	408546664	LZPPFLMIVDQTOV-DJKKODMXSA-N	597.462	6.313	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1	408551078	AVDBRYXUHRSSOV-RAWMCFOBSA-N	566.195	5.446	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553486	WVQXDLKKNVCDPS-ULTCEKQJSA-N	633.248	6.955	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408580017	MODAWRLZOYXIQT-GIJQJNRQSA-N	537.668	8.451	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCc1cccc2ccccc12	408598970	MLBKFPXKUMXNQA-UUYOSTAYSA-N	551.811	7.750	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408645489	SIWVDNSBNZTQNS-XKRYSZRTSA-N	679.620	6.153	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2)cc1	408678023	WZTXKTNFXNYQFS-WKULSOCRSA-N	547.280	6.699	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccccc1	408746436	ZFKHBPUAOHUDBZ-WQRHYEAKSA-N	589.227	6.187	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1cccc(I)c1	408752183	GEYWYPUJLPZKDX-GZTJUZNOSA-N	528.733	5.709	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1cccc(Br)c1	408759174	ZCNKBFQRZUKLNV-PDGQHHTCSA-N	559.201	6.178	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(I)cc1	408777255	XLFIUTDTJNFLIR-UYRXBGFRSA-N	516.379	5.235	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1	408788871	MREXDGOCSQBEHY-VCHYOVAHSA-N	607.231	6.509	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1	408790244	OFOZCLYGSSNTTB-RGVLZGJSSA-N	509.375	6.420	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794394	IEOUIXGFVCZKEM-LFVJCYFKSA-N	712.325	7.599	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1F	408797769	SXSGLRPWZSIKCW-BUVRLJJBSA-N	542.994	7.191	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Br)c2)c1	408804137	WGXRUNRZLFWCEN-HZHRSRAPSA-N	511.419	7.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCc1ccc(C)cc1	408824682	JAQDEKCSMQVHSV-KEBDBYFISA-N	541.431	6.842	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OCc2cccc([N+](=O)[O-])c2)c1	408825430	JVPQMNMWLBSJMT-OEAKJJBVSA-N	604.446	7.614	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC	408834652	UWCHXLQNSQKSGF-UDWIEESQSA-N	649.312	7.686	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c2cc(Cl)ccc2OC)cc1OC	408837439	FKNCPLZAUVLHDU-ALQBTCKLSA-N	638.142	5.599	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408838841	JDTVINVENIIPCV-DPNNOFEESA-N	593.665	7.122	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4ccccc4F)cc3)cs2)cc1	408838949	KQTFLIJUURVXQG-KVAAJVFYSA-N	615.528	8.107	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408841589	LRJMBPHBLZMISF-RQXXSLPSSA-N	735.284	5.716	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408849574	XKHRWWMEHSZUPK-OJYCWLPVSA-N	608.492	7.256	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408852643	VHIKMSZRBPSYBP-WBIBEUCMSA-N	734.388	7.861	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	408860362	TXQOYWTXQAHGMT-ICSRMJQJSA-N	576.502	5.275	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1)c1ccccc1	408862950	NVKRFPNGAMHHFJ-PJMBMOBMSA-N	588.752	6.161	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	408866254	GQPQUKDLSYXLPM-VNNSTJBXSA-N	556.087	6.457	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3Cl)c(OC)c2)cc1	408866428	GIFWNIVVINICAW-YBFXNURJSA-N	586.813	5.876	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2cccc(Cl)c2C)cc1	408874380	ARPPLLVSSDCYRI-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408876036	IUSPUUUMQLHCMD-QNKGDIEWSA-N	594.649	5.673	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1cccc2ccccc12	408878767	AWIHPNYDZKETFA-WGOQTCKBSA-N	509.381	5.134	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1	408880840	ISIMANBFWVABSP-YPXUMCKCSA-N	502.612	7.297	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccc(C)cc1	408890882	HVHVRIBSTAZTKR-CVKSISIWSA-N	514.363	5.341	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408897788	UAWLPWHEIVSJKK-VGOFMYFVSA-N	632.767	6.564	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408904570	LOGWXWPFOZOSDP-MNDYBZJGSA-N	552.856	7.307	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408913120	SQUAFCDGEIQYQJ-HNSNBQBZSA-N	602.485	5.170	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)c1ccc(Cl)cc1	408924755	OEHANQGHOZCXRB-SEBMTOOBSA-N	583.047	7.600	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408947704	CVVZYDIPRPBGCE-MTJSOVHGSA-N	545.393	5.683	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C)cc2)c(I)c1	408948018	OOQYENNVHJBPQH-MUUNZHRXSA-N	777.479	5.826	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2C#N)c(OCC)c1	408952503	WEGGCGXQDYVTKZ-SSEXGKCCSA-N	662.168	5.074	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2F)c(OC)c1	408957509	UTDHDWMHLUKCPA-VOSMKULASA-N	659.498	5.440	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408970705	CDRDMFITHJAKNV-PNFCWAGKSA-N	530.452	5.604	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2nc(C)cc(COC)c2C#N)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409005039	CEDBHTIOUPLCIQ-CAHBVUMWSA-N	717.415	5.495	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cc2cc(Br)cc(I)c2o1	409011515	NQDZSOZYAMEPEK-IPBVOBEMSA-N	644.090	7.450	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1	409048032	QMFCCGPIJFBRRO-XMHGGMMESA-N	520.383	5.411	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c(Cl)c1	409055570	ZMXOUVIUNYXYAV-KBKYJPHKSA-N	675.648	6.109	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)Cc2ccccc2Cl)cc1	409070748	NDUQCFLERRTQBG-STBIYBPSSA-N	506.027	5.143	50	40	KKGB	
Cc1[nH]nc2c1[C@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c1)C(C#N)=C(N)O2	409142284	XRXHYIUIWMFQPS-GOSISDBHSA-N	585.083	6.347	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1Cl	409146912	VNPVVTDAGRTDEN-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	409175160	QVYPDGXCKHIUSL-AMVVHIIESA-N	553.273	7.138	50	40	KKGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409184892	OXCPHTVHYILXOA-ZMFRSBBQSA-N	548.231	5.328	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c2cccc(C(F)(F)F)c2)cc1	409185429	YWBZRWKGMIFTSZ-BBUXEPKYSA-N	652.695	5.097	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1	409223246	DWPUDWIAVGUWEO-FPJJECCMSA-N	523.402	6.350	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2C#N)c(I)c1)c1ccccc1	409237133	JJKRDCCZYXAYGO-FIJRTHIRSA-N	659.265	6.131	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br)Nc1ccccc1Cl	409253753	GNWZTEAFJLDWOR-RAWMCFOBSA-N	610.646	5.555	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409255919	LYIDFULUHXCSFL-RQZCQDPDSA-N	528.367	6.013	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)cc1	409259965	ILHVYCVKXMBCFU-GZTJUZNOSA-N	633.724	6.827	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409262522	FRENSHAIMNXVJL-QMRORBIVSA-N	738.007	7.602	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1	409312686	GOANVNYFBZAVAA-KYHGBAKBSA-N	589.442	6.078	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@@H]1c1cccc(Br)c1	409323897	QBKOITDFMJBDFB-OALUTQOASA-N	602.816	5.231	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1	409366696	XMXJWKPWFZHVQK-FDVSRXAVSA-N	529.862	6.390	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409378544	PXJQSULPJIASCK-RQRWGXNHSA-N	690.609	8.049	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc(C)c4)c(I)c3)[nH]c2c1	409391735	KZECEMSYHUTPDQ-ODLFYWEKSA-N	521.358	6.128	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccccc1	409394955	IABOVRUWMKZUFM-UHFFFAOYSA-N	617.297	7.343	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)cc1OCC	409395303	MBSSXKGDSOMMQB-UHFFFAOYSA-N	739.848	8.794	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409397304	ILOSDZQMWKGKGL-UHFFFAOYSA-N	636.919	8.186	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409398895	WGFAOUXSJMQTFN-UHFFFAOYSA-N	541.529	7.145	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398968	XEYIFGTZTQGJSW-UHFFFAOYSA-N	579.609	5.852	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)o2)cc1	409400714	FEYZJYDVGYCPDN-FDUMAKPYSA-N	701.832	9.332	50	40	KKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409402618	KFTMGIVWAZHYSK-KUVSIYKGSA-N	565.026	6.769	50	40	KKGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCc5ccc(Cl)cc5)cc4)ccc32)cc1	606422437	HJDKJVWMOQNEHR-GDLZYMKVSA-N	555.055	7.078	50	40	KKGB	
O=C(c1ccc(Br)cc1)[C@@H](Br)[C@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)[N+](=O)[O-]	1687180	VWWYOBLJATTWNP-PCCBWWKXSA-N	537.635	6.851	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1OCc1cccc(Br)c1	3167470	XNRJGXZDHKUFJD-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)cc2)c1C	3225276	XQSDFZNJTZAHIZ-LTGZKZEYSA-N	503.428	6.082	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(SC)cc3)C3=C2CCCC3=O)sc2c1CCCCC2	3666727	YQKHPOROJOVSFJ-XMMPIXPASA-N	533.719	6.220	50	40	KKGB	
CCCOc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc(C)c(C)c3C(=O)OCC)cc2)c1	6167406	JOKMJCCDXDYIEO-ZXAKHJNPSA-N	551.665	5.500	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1Cc1ccc(I)cc1	8812483	NMJYZYFUCFNBAO-MZJWZYIUSA-N	511.338	5.506	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1	8843120	QYQFIALDGPXATB-CCVNUDIWSA-N	503.451	6.355	50	40	KKGB	
CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OCC)c2)c1	8917420	QDJLLROANDTNHB-MUUNZHRXSA-N	514.578	5.710	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1	9261736	AYASOWCGHRIHRW-YZSQISJMSA-N	526.036	6.559	50	40	KKGB	
CCN(CC)c1ccc(/C=C2\CCC(/C=N/NC(=O)Nc3cccc(Cl)c3)=C2N2CCOCC2)cc1	12500730	LRHBPBBXXRDFST-QMLKQMPSSA-N	508.066	5.757	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1	13174447	NIYLKQCYWJKTLI-RUZDIDTESA-N	506.071	7.180	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(F)cc1	13882005	WQJSOYDVILXFGC-UPKQYBOFSA-N	523.037	5.693	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccco1	16713630	RHIXJKPNKAODNS-XIEYBQDHSA-N	500.558	5.935	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	20170484	HBTZHNYBHUCCKG-RUZDIDTESA-N	503.555	5.230	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(C)cc1	59484564	MBAKSSYJHDHTDX-YDZHTSKRSA-N	505.412	5.959	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C\c1c(O)ccc2ccccc12	97966414	CCMVFNXJYCFASX-KLCLUPFRSA-N	677.589	7.443	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc(I)cc1	100062637	ZJQFVAOEHVIRAF-MZJWZYIUSA-N	593.259	6.104	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)cc1	100078346	VDAIXJBXHUVLFU-XVAAYUMESA-N	550.851	7.848	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Br)cc1	100128360	OIWOZSNLCDQPRJ-STBIYBPSSA-N	610.490	5.110	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC	100183443	VVBSOQIYGVLNEW-OCSSWDANSA-N	619.096	5.098	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(I)c1OCc1cccc2ccccc12	100326352	BSOKPXTVAHYGGM-IPPBACCNSA-N	580.378	5.525	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Br)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	101506552	MXIGHCXZTXCKEL-ZCTHSVRISA-N	592.563	6.635	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1	103887432	TYUIABBOJYQPQL-LSCVHKIXSA-N	525.786	6.264	50	40	KKGB	
Cc1ccc(-c2csc(NC(=O)CC(=O)N/N=C/c3ccc(N(CCCl)CCCl)cc3C)n2)cc1	104056000	BBRVZFWJPOZXTR-RWPZCVJISA-N	532.497	5.190	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N/CCC/N=C/c2ccc(N(CCCl)CCCl)cc2Cl)c(Cl)c1	104091335	NQWSYJNONGUVSX-XYHIKERESA-N	599.261	7.490	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)N(c3ccccc3)c3ccccc3)N=C3CCCC(O)=C32)ccc1O	104126676	JCCMMNXYSBNNGB-GDLZYMKVSA-N	537.641	6.768	50	40	KKGB	
CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341309	IRKMPRQCIYRONS-SSDOTTSWSA-N	994.196	13.217	50	40	KKGB	
CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341682	HJXXEXBPGSUBFD-CQSZACIVSA-N	992.371	14.677	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795337	OCIOQKDLJBVUKV-NXEZZACHSA-N	630.086	8.110	50	40	KKGB	
C=CCO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1	263593348	BDKQSXIIYZQXSP-LMOJIFKQSA-N	604.860	7.692	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl	408533458	SHJWEDPZEPZIGD-KLPHOBTLSA-N	526.342	6.162	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)c(I)c3)c2C)c(C(=O)OCC)c1C	408547388	VXVBZKYHVIUGKK-CIAFOILYSA-N	644.531	6.449	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)c(C#N)c1C	408547485	XOUSYQCZCWAVML-UDWIEESQSA-N	504.995	6.056	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Cl	408566874	IVNUFWZMSFYBRN-CCVNUDIWSA-N	515.835	6.000	50	40	KKGB	
COc1c(Cl)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br	408568000	HOOBOFMFMVNIOF-LSHDLFTRSA-N	501.855	5.119	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408568551	KJVRHNILCGAVBV-IBBHUPRXSA-N	604.125	5.903	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408580023	MOQCKDDOMRZRGD-GIJQJNRQSA-N	590.699	7.264	50	40	KKGB	
C[C@H](NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1	408613276	YOZBBSJUQWIYEF-JZNDDVEWSA-N	514.807	5.009	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408639593	GASQHPRJVKGXRB-OAHLLOKOSA-N	688.005	8.794	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1	408654481	QPTAFFLRSYRZLC-ONBABHLOSA-N	763.266	6.539	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccccc1Cl	408677831	VHWZMAGUGMAHEX-OCSSWDANSA-N	556.888	6.444	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408711893	PJOCCMNKORCMGR-KVSWJAHQSA-N	603.671	6.993	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408741134	KHESCNUNCLMRIS-RWOOANICSA-N	739.497	10.622	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2-c2ccccc2)cc1	408741681	KILFWCLHNLYHKC-DZTJYMNTSA-N	549.674	8.056	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408744000	JAAQSMIURMRLIU-ZDLGFXPLSA-N	618.225	6.395	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2I)c1	408747920	VTMJTRUJMODKNQ-UNOMPAQXSA-N	573.228	6.487	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1	408757301	YGUKALHNWRUYNE-ODLFYWEKSA-N	554.238	6.539	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(I)cc1	408765118	KGJAPHPPKXOLHD-MFOYZWKCSA-N	668.123	6.949	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408767973	AYTWRPXOVYSPOO-BKUYFWCQSA-N	664.371	7.968	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1	408768921	LZRFEWFDMCIJEB-NDENLUEZSA-N	525.830	7.014	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)c1C	408772934	NLGRGPNMCQLMHM-HAHDFKILSA-N	551.559	6.865	50	40	KKGB	
COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)ccc1OCc1ccc(Br)cc1Br	408783007	JFGSNFHRDBJVCW-JSLWTNJLSA-N	607.306	6.007	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1	408788628	LSRKQEJIRLZMLH-LZYBPNLTSA-N	583.640	7.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc2ccccc2c1	408794493	IQYFQUKYOCDZPD-CVKSISIWSA-N	555.472	7.743	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2I)cc1	408796748	PTVOTWNSHUAUBS-DJKKODMXSA-N	668.700	7.291	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2c(C)ccc3ccccc23)c1	408803037	KOLZFHRLELDLRB-HZHRSRAPSA-N	511.419	7.344	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408813216	OTGYOCQDPVOZOL-MFOYZWKCSA-N	519.787	7.309	50	40	KKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408823649	FREDWTZAZIIMKJ-XSFVSMFZSA-N	525.830	7.016	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408824187	GFCXEYQIICRDRF-OCSSWDANSA-N	568.051	5.105	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1OC	408826404	GJFWUMPTZPRKEY-JRZNSJKLSA-N	744.892	5.646	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408827019	FPKYLSDWKRKEJU-RWPZCVJISA-N	573.414	5.507	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)c3ccc(C)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408833428	KDQNNBCWMMTLEL-UXHLAJHPSA-N	515.635	5.360	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1	408848099	PMAXSGKSQLZYFQ-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1ccc(Br)cc1	408849164	YYJRVCQEBOAIHH-HNSNBQBZSA-N	600.469	6.392	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408852625	MCRWFMZIWTYOPP-IDWIKUEFSA-N	653.533	7.865	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	408861856	BGIXMBWMTMIXMV-MWBNBJEGSA-N	730.037	6.003	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408862036	WPSIHYIFIDOSSL-AGIUSIANSA-N	796.549	5.558	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OCC	408863687	QABKGAPYHRJVGY-KUFLNJEKSA-N	503.624	5.022	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)c(OC)c1	408875956	IEKUTVZSCFZBJV-AFUMVMLFSA-N	557.444	6.422	50	40	KKGB	
Cc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)cc1	408881276	MMGWPTRTKUCUOG-FMFFXOCNSA-N	514.666	6.598	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1	408881992	NEWZEOJALBIXEO-WOJGMQOQSA-N	526.774	6.444	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccccc1C	408883345	QSZIHKJZLJKALI-UDWIEESQSA-N	617.281	6.886	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408890262	QMCHKTORUOJPOE-VGOFMYFVSA-N	622.215	7.309	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	408906287	FMEIFKZTYUVBSL-HIWRWHBISA-N	618.461	5.906	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c([N+](=O)[O-])c1	408941386	DOCLOJAJDLEQJD-WJOKGBTCSA-N	732.613	5.975	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3F)c2)cc1	408951913	VFHAADLGISCPDE-ZXSNDDASSA-N	503.577	6.935	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	408972454	UBEPCXCTMYXSOW-GXARKJCDSA-N	634.560	6.616	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408978120	HDAAYRQMRGVLTL-SXMPYHCESA-N	538.044	5.479	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	408988185	DATQOAUMGSXURH-DICPRFEGSA-N	606.689	6.976	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1	408995420	COFBCVZLXGUIQX-CTZSLDFKSA-N	568.427	6.084	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1OC(C)C	409018690	IFBJJSUPDLNNGL-AUEPDCJTSA-N	557.182	5.360	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409047729	PGHFRSFLSQOYHC-CPNJWEJPSA-N	550.409	5.420	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409072198	JDILHOYOKGSNIT-XNTDXEJSSA-N	585.785	6.435	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(Cl)c1	409115208	KKVXOAWWBNBVEP-QXUDOOCXSA-N	638.142	5.681	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1)c1ccccc1	409120698	RZCOSOUQWGTBRG-FDVSRXAVSA-N	523.496	5.986	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	409132584	JMFBLQCABTZAJI-TURZUDJPSA-N	589.499	5.324	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	409142077	AXFMSWTVSGQROE-LGJNPRDNSA-N	630.651	5.821	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OCC)c2)cc1	409163292	OYRKRSUGJKRIIR-DPNNOFEESA-N	639.547	5.750	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409219546	RTIIITTYKOZZJC-UUYOSTAYSA-N	658.233	7.600	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1	409223638	HJRSWOMRICIJSQ-UDWIEESQSA-N	533.968	5.007	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1cccc(C)c1	409225966	RTZILEMHRMVSSP-UHFFFAOYSA-N	541.991	5.892	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(I)cc1	409238981	XZWNYNXEWATZRN-HAHDFKILSA-N	645.335	6.687	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409246978	AFXPICJLBUIDBF-YBFXNURJSA-N	615.855	6.133	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409258080	WHSLNBVAJMWVOE-QDTIIGTASA-N	591.833	5.351	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccc(Cl)cc1	409263841	CJCGBNLYGRPQBU-IFBDVWKUSA-N	570.871	5.583	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)cc1C	409264507	KPRMFDFRSZOSDK-SRZZPIQSSA-N	508.405	5.851	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409267945	YESFOXAOUAUUCY-XKZIYDEJSA-N	518.013	6.227	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C	409268878	YZPKLCMEEJBYRH-IZYHBKOJSA-N	640.165	7.614	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409309487	ICINXAAEGXBKNN-RTWAWAEBSA-N	568.866	5.155	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	409331375	CRZNJUOVHRGRKW-XODNFHPESA-N	599.252	5.887	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1OC	409333110	ITPKDWBJKFLZLO-WKIKZPBSSA-N	652.252	6.382	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1OCC	409335458	OBQGVIXFSPWZNX-MNDYBZJGSA-N	622.741	7.171	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Br)cc1	409356607	HXYVJNZHVPJHPS-KVSWJAHQSA-N	626.143	6.124	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2OC)cc1	409383250	SRVVFDQSALJNGT-GZTJUZNOSA-N	554.372	5.169	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409394412	ADARQZDAWCVWDF-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396368	OCDHXXSGAMNPKE-UHFFFAOYSA-N	582.056	7.187	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398908	WIJQLVRORJAFQU-UHFFFAOYSA-N	623.662	6.251	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC	409403055	LSNJOOKEDFHMNM-LQNQUEJISA-N	546.580	5.736	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2cccc(Cl)c2)c(OCC)c1	1529549252	WVROJBNGHZIAKN-NZBLFOEUSA-N	763.054	5.807	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc(F)cc1	1529549427	YSIZMXJKAVGXNC-JKYKOXDNSA-N	828.442	5.499	50	40	KKGB	
CCOc1c(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	1531386393	APOQOYOODSHRAT-OKCVXOCRSA-N	566.452	6.200	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	935236	DNSRARIWDBTRQC-FYAMCCBRSA-N	533.009	5.033	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	1067747	LKXBNWKYWINQNN-LJAQVGFWSA-N	534.641	6.448	50	40	KKGB	
COc1cc(/C=C2/SC(=S)N(/C=C(/C#N)C(=O)c3ccc4ccccc4c3)C2=O)cc(OC)c1OC	1637383	BEDGHWXGQPIKKZ-KBTZAMDWSA-N	516.600	5.357	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3sccc3C)nnc2-c2ccc(Cl)cc2)cc1	1745197	KJDIPWPDVUYYGO-VULFUBBASA-N	512.060	5.599	50	40	KKGB	
COc1ccc(N2CCN(C(=O)[C@@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)CC2)cc1	1876142	AIDFITWLUCMQOE-TYCQWZJGSA-N	579.171	5.030	50	40	KKGB	
Cc1ccc([C@@H]2C(/C=N/NC(=O)CSc3nc4ccccc4s3)=C(c3ccccc3)Oc3ccccc32)cc1	8399733	CQDRZGKXFDYDLZ-YCMVMKQGSA-N	547.705	7.435	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NC1CCCC1	9056547	UFVWIAHSYWJYTH-BOPFTXTBSA-N	504.222	5.756	50	40	KKGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)c(OC)c1	9693543	PBVZINDQIQYKNO-XMMPIXPASA-N	513.619	5.502	50	40	KKGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NN/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21	12653827	ZYXXAPZUCGPPPV-JLPGSUDCSA-N	523.555	5.461	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)NCCc1c[nH]c2ccccc12	59105196	DPNCIHLBSPKOQA-BKUYFWCQSA-N	518.386	5.914	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(C)cc1	59474999	FYYFDJVMQKMTIG-QRVIBDJDSA-N	519.439	6.898	50	40	KKGB	
CCc1ccc(CCOc2ccc(C[C@H](SS[C@H](Cc3ccc(OCCc4ccc(CC)cn4)cc3)C(=O)O)C(=O)O)cc2)nc1	72132683	NFIBWZBYFXKDCT-AQOUDTPCSA-N	660.858	6.917	50	40	KKGB	in-vitro
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccc(Br)c4ccccc34)cc2)cc1	97957846	VHKFHWCJQZUNKN-BIZUNTBRSA-N	543.461	6.812	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H]1c1ccccc1Cl	97984136	ZCGQACOOETUFFS-LJAQVGFWSA-N	670.057	9.075	50	40	KKGB	
O=C(N/N=C/c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2)cc1)Nc1ccccc1	97984923	OZKLUQOFQLAQCL-XHWZHIRMSA-N	594.628	5.155	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)o1	98050456	UATNJRZNXXUKDZ-YSURURNPSA-N	526.612	6.109	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(Cl)cc2C)cc1	100122422	YUDOSTBRJOAQHL-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1	100129801	LMHBPJPBKQSJDF-OJYCWLPVSA-N	596.675	5.805	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1	100132240	CNDSMNXMLFIZCG-RGVLZGJSSA-N	540.255	6.953	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	100142613	YUTMLTRRCDMLQZ-APTWKGOFSA-N	605.116	5.007	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	100302292	YJXRXWKBFWSYTQ-OGLMXYFKSA-N	550.464	5.055	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	100379322	HRJDPEFZMGMJPO-ZCTHSVRISA-N	548.064	5.649	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc(Br)c3)nnc2-c2ccccc2)cc1	100859078	TUPNEUUCDYLIIL-WPWMEQJKSA-N	536.455	5.338	50	40	KKGB	
C/C(=N\NC(=O)COc1c(Br)cc(Br)cc1Br)c1ccc(-c2ccccc2)cc1	100927269	XORMBYZKAWSCGO-VULFUBBASA-N	581.102	6.560	50	40	KKGB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)CSc3nc4ccccc4s3)C2=O)cc1	101006577	ZRAZIADOOFJXFW-QNGOZBTKSA-N	570.787	5.306	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)cc2Br)c1	102230221	FZKCIJWDETUDRL-CAOOACKPSA-N	587.224	6.259	50	40	KKGB	
O=C(N/N=C/c1ccc(OC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1)c1ccccc1	102416513	YYWCKPIVMNNZIZ-HZENYYCUSA-N	532.427	6.305	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1F	102719452	MHJXYYZWVGLFIK-MUUNZHRXSA-N	542.636	5.849	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1ccccc1F	102809934	TVVUUQGNOFSBHO-HHHXNRCGSA-N	573.606	5.449	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1	102932859	AXCLDLUQTXTABU-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	106940803	CTILRXRUKBBWED-NVJOKUIPSA-N	552.303	5.728	50	40	KKGB	
CC(C)OP(=O)(OC(C)C)[C@H](C)NC(=O)[C@@H](CSSC[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)P(=O)(OC(C)C)OC(C)C)NC(=O)C(F)(F)F	150509141	MATHCOUFSUCJHW-WTGUMLROSA-N	814.742	5.473	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)cc2)ccc1OCc1ccccc1	408541372	ZHBNVGZLMYXLDD-SGFZWYBVSA-N	616.714	7.595	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(Br)cc1	408570409	UQVVBXBQFCYFFL-MFOYZWKCSA-N	571.244	7.269	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1	408598590	FDUIYKOLYUKEMY-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccc(Cl)cc1	408612137	XQFAQWBWCZSMJP-KRWDZBQOSA-N	544.833	5.186	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408724924	FAQUWROXMIPHHW-NDENLUEZSA-N	583.382	5.895	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741044	JQGVFIIJOFYWEN-SEBMTOOBSA-N	586.047	8.187	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747868	VAJLFRALHHEMJR-SXGWCWSVSA-N	625.542	7.752	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408752604	FFYJXZXSYTUIGO-LSCVHKIXSA-N	527.205	6.752	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1	408757305	YHCYAMNYNWSJIC-LFVJCYFKSA-N	555.428	6.904	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408764221	LROUBBDAYNYWCS-SFQUDFHCSA-N	572.393	5.069	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1	408778915	MUQMHPJDIXFBJN-JFLMPSFJSA-N	504.439	5.210	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2I)c1	408789676	QXFZPKPFGXEJAL-SRZZPIQSSA-N	648.282	6.946	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408795167	LJQCDVXTWVEUQF-CAOOACKPSA-N	733.569	7.745	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)OCc1ccccc1	408811808	MXJLSEHSTRGURC-LZXVLHJHSA-N	631.132	7.541	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1	408821721	AKAQHSXZBOPDNI-BJUCDSOZSA-N	627.550	5.992	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OCc4ccc(Cl)c(Cl)c4)ccc4ccccc34)cc2)cc1	408826944	LHMOYDAJDRSIAY-ZXVVBBHZSA-N	593.510	9.159	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	408841617	FRTYMINYNVHRFK-FJEPWZHXSA-N	537.472	7.498	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(I)cc1	408842255	JQWOWBJCHUSZLH-HBHSWBPBSA-N	806.386	7.785	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccco2)cc1	408846396	SFGWNOGZPKYIEL-AMVVHIIESA-N	601.240	6.584	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(C)cc1	408846591	UASHYGHFZINPIA-XZYGTATASA-N	597.140	8.257	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)ccc4OC(=O)Cc4ccccc4)cc3)sc2c1	408847530	SRTVRZDVGSWSCK-MWBNBJEGSA-N	660.977	7.790	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408848899	WZLFGLZJDPHRED-SAEPALGJSA-N	688.158	7.215	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408864295	VERNOJJNYHDAPO-ALQBTCKLSA-N	610.107	6.111	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408874888	DUDGMOBSFLQTTG-RRDBNTQTSA-N	717.775	6.932	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408876427	OYZJNTXIIIQLEZ-DPNNOFEESA-N	597.568	6.617	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc(Br)c1OCc1ccccc1	408878859	CSLXGCYYZJSTBT-PNQUVVCRSA-N	652.354	6.548	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cc(Cl)ccc2C)cc1	408880913	KKPBRTBBIWRKGK-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1F	408882324	QSEFMMCSLIYAIY-VCHYOVAHSA-N	525.330	5.420	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1Cl	408888582	XMDTXNVGNMLRIQ-XODNFHPESA-N	590.952	6.932	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OCc1cccc2ccccc12	408894897	JQAWVOXBNBCWIF-FYJGNVAPSA-N	594.836	7.231	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408898112	UPQXJHZOPDCPHB-MHWRWJLKSA-N	562.387	5.614	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408904283	HLFJOXODUNMMAL-FXMZOFOKSA-N	663.137	7.412	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C)cc2)c(OCC)c1	408943143	HCCMLQLSXBXKBJ-PMERELPUSA-N	695.636	5.620	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408948960	HODUUKNMZQFEES-NHDPSOOVSA-N	613.339	7.481	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccccc1Cl	408949146	QOBMDUYAJKFILH-HKBQPEDESA-N	663.196	5.541	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1	408952733	VQAOVSBTIXOGIA-IPHFVPNQSA-N	546.602	6.373	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(Cl)c2)c(OCC)c1	408954850	ZUUSECKRWSVHEN-GDLZYMKVSA-N	716.054	5.965	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(C(=O)O)c1	408967052	OYFFHWINZQDEKA-VVEOGCPPSA-N	612.342	5.750	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408971375	JIWPVRFFTGWZIU-AFXIYHOOSA-N	650.341	5.454	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Br)cc1	408972269	OSAHMHMSVSMTRP-MLCSCPQYSA-N	689.445	6.558	50	40	KKGB	
CCCCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408972772	XASRHLMUIYLJSI-UCBITOSZSA-N	679.439	6.979	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl	408983156	LAJBBOAZLKUDHT-FYJGNVAPSA-N	511.836	7.808	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(=O)Nc1ccc(Br)cc1	408997536	MYFCUHOUOPZPFJ-RAXLEYEMSA-N	504.203	6.501	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccncc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408999526	WVGNLSAJVPYARC-YPXUMCKCSA-N	588.083	6.265	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007024	MHJKSBNTLGDCJO-QJOVZPHJSA-N	586.132	6.988	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)c1	409017710	SXABRWSKLKJGMV-AXPYDQDRSA-N	563.529	6.908	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409019976	YKDIXUXAZFQAFH-LDQINPKVSA-N	648.418	7.752	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCc1cccc2ccccc12	409073177	VIFGBFSVURJRIV-TURZUDJPSA-N	546.623	6.878	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	409109701	JMERXIMXKIJTDO-HNSNBQBZSA-N	703.986	6.268	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1Cl	409133946	VBJOQRQERQSZRK-XZYGTATASA-N	672.587	6.334	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	409157012	TXXDZPNEUGPVIB-WKULSOCRSA-N	563.279	6.594	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1	409168537	MGOPKXRMANLCQX-KCSSXMTESA-N	581.069	5.332	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1	409201192	MHDASMDBPCYUPD-WKULSOCRSA-N	586.882	6.919	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409201217	KPQVQHWWVKPJQH-ODLFYWEKSA-N	522.355	5.756	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC	409227072	XHXOJZLZELVOGE-UHFFFAOYSA-N	756.360	6.381	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409239538	HBXGKHXRVMMSJG-IMRQLAEWSA-N	569.499	7.236	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(I)c1)c1ccccc1	409244126	YDORFCVHZNWSPD-OJSPLJLUSA-N	542.804	6.308	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409254238	HZHPGPNPYDQTBD-UDWIEESQSA-N	582.882	6.681	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	409267979	XLSXHKQLHYZXBX-ODLFYWEKSA-N	504.930	5.428	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	409305258	UJTCWNTWAPFKSL-WKIKZPBSSA-N	650.236	6.158	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)ccc1OC	409322821	LQXNHWBGTPLOSA-YNFMAFFXSA-N	653.755	6.362	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1OC	409334508	SGSBDIHXJCWVHP-FDVSRXAVSA-N	517.460	5.967	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OCc1cccc2ccccc12	409356215	FTPDQLWWQMVODJ-IBBHUPRXSA-N	644.307	6.357	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)c1	409368627	FLTZJLSDRYNOIM-OKCVXOCRSA-N	549.421	5.971	50	40	KKGB	
CC(C)c1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1	409369288	JXIPROFDERBBSX-NUJZUDFISA-N	597.362	6.221	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1cccc(F)c1	409374055	JUJFUNMNVDCCEE-ODLFYWEKSA-N	506.375	6.815	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br)Nc1ccccc1F	409378178	NCUIOELJTWDDFE-ZRGSRPPYSA-N	549.194	5.132	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1Cl)Nc1ccccc1F	409380175	JQDZLUZFSNFHCO-RPPGKUMJSA-N	504.743	5.023	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395620	PXGKTSDDUXCKCC-UHFFFAOYSA-N	662.294	7.251	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)cc1	409395882	SUBXWBDRKQWPPK-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396186	FEMOLXBANNGQJL-UHFFFAOYSA-N	618.089	8.032	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)Nc1ccccc1	409401862	IKVUULNODNFRFT-WBIBEUCMSA-N	718.548	6.661	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3ccc4c(c3)OCO4)o2)cc1	409403240	MFTPASHUEOAETE-DLCNMLRHSA-N	608.607	6.246	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OC(C)=O	409405959	VMVMGHQEUABQFF-APTWKGOFSA-N	555.631	6.083	50	40	KKGB	
COc1cc(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)O	1531386443	XLCPUYKGQHQXLD-CPDSRJINSA-N	551.983	5.155	50	40	KKGB	
Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(Cl)cc2)C1=O	1790499	RNZWEIKYBFWLKG-IEQIIXMPSA-N	502.039	5.434	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(SCC(=O)N/N=C/c2ccc(N(C)C)cc2)n1-c1ccccc1	2097426	GKRHTWFXPREEEF-OKCVXOCRSA-N	534.089	5.150	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	2245172	YCCMXQKKKKEGJN-DNKLCNGGSA-N	536.679	7.084	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)n1-c1ccccc1	2740054	IXUQZNYJJSRDKV-JUSJZLSKSA-N	571.106	6.331	50	40	KKGB	
COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(CSc4cccc5cccnc45)cc3)cc2)cc1	3238439	NRXSPTCPSVIPTP-JEPNHJGPSA-N	561.663	6.657	50	40	KKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1	8402591	RXXHEZCITZQHFI-MWAVMZGNSA-N	518.683	7.591	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1C#N	9261836	PLWGBTFVAGVOJS-WKULSOCRSA-N	518.367	5.809	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(I)cc2)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	33354414	YVRCELJHTNGDIY-JJRPROGJSA-N	605.388	5.201	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1	33361904	LIGCAXXOKQUOKB-CEUNXORHSA-N	514.655	5.032	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccco2)s1)N/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12	59222147	WBBKLNFWTXPLOU-WKULSOCRSA-N	546.008	5.462	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1	97951937	OMHYIGAGYIKKBT-RUZDIDTESA-N	535.025	5.648	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1C#N	97960991	MVMTWFRDOLZLGY-AMVVHIIESA-N	552.812	6.462	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)c1	100100759	FEFLGBOHFVYWLX-RPPGKUMJSA-N	529.460	5.765	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)nnc2-c2ccc(Cl)cc2)cc1	100242068	XQJFAANGJLZMJL-IBBHUPRXSA-N	560.001	6.248	50	40	KKGB	
CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	101149917	XOSWUIPYHKIQSZ-NCYKPQTJSA-N	557.323	6.159	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br	103889523	RHTRPBNBRVUBAI-WZUFQYTHSA-N	518.578	5.507	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1cccnc1	104127798	SKECFSGQPRQYNE-IEZYBGGWSA-N	548.602	5.201	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](Br)[C@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C	123219945	MJONUVUVBROXRW-JEDGHXOGSA-N	530.473	9.245	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552972	TUIZWADQVSFBKM-ULPWCQAASA-N	599.696	6.589	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1cccc(Br)c1	408570487	VUMRCYRXTVDKOU-VULFUBBASA-N	530.513	5.864	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(C)cc1	408581107	UOVOLGOZSIHAGU-VXLYETTFSA-N	564.250	7.948	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1OC	408583175	SELQHEJPRFAMBR-GIJQJNRQSA-N	608.124	7.634	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1	408609886	LXFPOFNKUSRQQM-MUFRIFMGSA-N	514.409	5.840	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	408613268	YOFARTYBYBETES-LUOAPIJWSA-N	511.192	5.968	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5[C@H](C4=O)[C@H]4C[C@H]5[C@H](Br)[C@@H]4Br)c(C)c3)CC2=O)cc1Cl	408641196	LBLXNTAUJMTNLK-BAGUGFDVSA-N	664.778	5.198	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408643571	PTIYXZYUTZWNPH-UJOPUZHASA-N	727.189	5.968	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408643615	PVFXCBBSVVXGNH-ZCQNZVIGSA-N	754.215	6.856	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408660144	WIXSGKRZULJALQ-VZJUQIMDSA-N	793.690	6.340	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2c(O)c(Br)cc4ccccc24)c1)CCCC3	408733689	ZPXOQYMAOVEECK-BVMLUPFRSA-N	587.499	6.020	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1ccc(Br)cc1	408744705	ZLZUGTBAYKFYNW-KQWNVCNZSA-N	517.423	6.701	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408746264	DFKRHIYNLPTXNL-OJYCWLPVSA-N	691.363	7.172	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)C(C)C)cc1	408755249	NBDOOWKXVWVDMX-XJMOSWHOSA-N	608.558	5.943	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1cccc2ccccc12	408787649	DCFSIPRKHYCMGK-VUTHCHCSSA-N	680.542	8.547	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1	408791695	BAMJEPPPRZOVDW-LFVJCYFKSA-N	511.419	7.289	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1cccc(F)c1	408792414	BDHXEJGORXBNNL-WOJGMQOQSA-N	511.347	5.817	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408794773	JZRLQKDTLCXQOU-YDZHTSKRSA-N	638.345	8.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Br)cc1	408798864	JDZLCQPZDZJRKC-CKMDTHJYSA-N	505.412	6.211	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(C(=O)O)cc1	408812403	OPZFNSTVUWRDHN-ZDLGFXPLSA-N	572.330	5.262	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3c(C)ccc4ccccc34)ccc3ccccc23)cc1	408815198	QOOALOBQCYQEJX-NHFJDJAPSA-N	540.619	7.603	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)OCc1ccccc1	408816046	KGYXXZMXNPKTKN-FZEMURNFSA-N	604.110	6.812	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12	408817008	UXKNMKBNZLZZBQ-SVAGMVDISA-N	560.658	5.486	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)c1	408823753	OSUVMBXOIWBGCK-KPGMTVGESA-N	616.523	6.067	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408825442	ANJJVKAGLRRPHR-IPPBACCNSA-N	608.942	5.223	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(C)(=O)=O)cc1Cl	408826588	HKJGIBQQXSURNY-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccccc1F	408842110	LVGCPJPUGUHLHT-ROPCREHHSA-N	572.584	6.715	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)c(Br)cc1OCc1ccc(Cl)cc1Cl	408846972	OKSHXDRISJHPBE-XODNFHPESA-N	552.252	6.506	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1cc2cc(Br)ccc2o1	408848931	XGXVGXSIQRPCQJ-FXMZOFOKSA-N	580.635	7.093	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408850388	MSULOYLOYCNOBJ-ZMFRSBBQSA-N	524.327	5.455	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)cc1OCc1ccccc1Cl	408856742	KXFADFZGDLMPEX-IPBVOBEMSA-N	661.572	7.075	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c2cc(Cl)ccc2OC)cc1OC	408861313	BVFUKPSUXZEFIA-ZSNJKBEMSA-N	685.586	6.007	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1ccc(Cl)cc1Cl	408872098	KIWBFTFKLMUGLB-RGVLZGJSSA-N	621.302	7.684	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(I)c2)c(OC)c1	408874744	GDQNMRDRBBHRER-RGVLZGJSSA-N	588.829	5.764	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1	408878427	BESIETRNPULBDR-UVHMKAGCSA-N	501.352	5.257	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2Cl)cc1	408883852	WYMLDHICKHLDKA-OVCLIPMQSA-N	546.750	6.328	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408884061	XPZDWYIHKQPSGJ-KVSWJAHQSA-N	512.220	7.042	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cccc(Br)c1	408884439	ZEYUJVTWVQVCEV-AWQFTUOYSA-N	505.004	5.137	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	408885934	HAMCUIFBASYNMC-DHRITJCHSA-N	612.205	5.247	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408887887	RUXKOLBBJZYYHM-MUFRIFMGSA-N	548.393	6.252	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc(Cl)cc1	408892347	YSMTVHWKRGKYBF-XDHOZWIPSA-N	507.930	5.780	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408896803	SXQOAUVEQYUINF-LDADJPATSA-N	555.812	6.275	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(I)c1OC(=O)c1ccc(OC)cc1	408899242	OKGZGUNJAGDYCD-CCVNUDIWSA-N	631.448	5.301	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)ccc1Br	408905661	BZBPTABFYFAPBE-ZRGSRPPYSA-N	507.215	6.799	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Cl)c1OCc1ccccc1C	408921321	AIVMPNAVMKHGID-RGVLZGJSSA-N	521.957	6.089	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c(OC)c1	408925663	VKCGTTFODXXCLM-FUQSLGPRSA-N	716.383	5.129	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3cccc(F)c3)cc2)c1C	408942651	GKVRNQIFGCGCQE-UUWRZZSWSA-N	669.779	5.697	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccccc1Cl	408942661	GMJCXVVGCKBWTK-MUUNZHRXSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)c(OC)c1	408952492	KMHNBBGYDAWLTD-YGRCFMMQSA-N	720.006	6.353	50	40	KKGB	
C[C@@H]1CCCCN1c1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N	408977322	WVWTYQYXYHTPIK-MSURWQBHSA-N	550.667	6.056	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1I	408982116	FYBASBSPAKXUDG-QPEQYQDCSA-N	545.602	5.960	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408985496	XDJQIAMKOSBIJD-GRSHGNNSSA-N	511.361	6.133	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	408990338	KRMRUORDJGNUHT-GHRIWEEISA-N	597.077	7.349	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	408999377	CPNDKHFQNUSYKU-BIZUNTBRSA-N	541.991	5.974	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OCC#N	409019084	VQUMJCXARFXRFY-CISRBEIWSA-N	563.482	5.135	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Br)cc1	409020125	ZMBKENGFFYTXJE-UKNSCQFZSA-N	529.262	5.204	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)c(C)c1	409028856	RQKDSHVBZWQLOA-DPGRRRKKSA-N	558.704	5.808	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12	409036425	WCTWWWXIOJRQNT-ATZGPIRCSA-N	707.322	7.520	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	409045633	ZXDAQOIXZPAMHW-GIDUJCDVSA-N	537.186	7.333	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccccc1	409047198	NRGJQBIAPCTJCG-WOJGMQOQSA-N	601.828	5.906	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409077993	GGKUZDXLIZSKES-OQLLNIDSSA-N	639.324	6.660	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)c1	409081748	KYDVHMLYHKWFPA-MHWRWJLKSA-N	546.299	7.023	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409084616	VTSFBTVALDDUKQ-VGOFMYFVSA-N	501.238	6.574	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409142831	BNVJKXCFJVOMHE-HXUWFJFHSA-N	550.240	5.983	50	40	KKGB	
CC(C)C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409156167	SQZCBFDSEONOFC-VTYAQBCGSA-N	608.906	6.445	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccc(C)cc1	409220193	ZATHFEFIELYWBA-UHFFFAOYSA-N	521.573	5.629	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409221763	AHKYVODCUIRZOI-UHFFFAOYSA-N	680.169	8.298	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409227005	WXEZDZAFSHRZKE-UDWIEESQSA-N	581.410	5.480	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)c(Cl)c1	409239348	MYEVCQATGYNFAF-SXGWCWSVSA-N	522.752	7.075	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)c2)c1	409252085	SFFFNHYCFQFLKM-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409262576	HYXRWAKEIYBPKI-QDTIIGTASA-N	591.833	5.351	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)c1C	409267341	UXLUSJIKFKACLS-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409320965	DPDGCSZKHVPKMG-MNBJERMJSA-N	625.497	5.577	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)ccc1OCc1ccccc1	409321007	RIDHZEIKPUBKOK-ZMFRSBBQSA-N	548.231	5.659	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)ccc1OC	409325673	ZMEVQCTVDGRQEI-VYYCAZPPSA-N	501.352	5.338	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	409361789	DYTMHMZNHBCHIH-UCQKPKSFSA-N	518.838	8.298	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc2c(c1)OCO2	409362237	IPLDOKGZZIODKX-NVMNQCDNSA-N	513.185	6.583	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(I)cc(I)c2OCc2ccccc2F)cc1	409372678	ZVVVUNMBISZTBY-KKMKTNMSSA-N	657.221	5.336	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409373765	UOQCMCZYDDAHQR-OKCVXOCRSA-N	533.968	6.152	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)cc1	409394945	HXLZPLKOOMCEFT-UHFFFAOYSA-N	542.422	7.433	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccccc1	409395674	QMYAIYUMBMDPQO-UHFFFAOYSA-N	511.940	6.611	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(C)cc4c3-c3ccccc3)cc2OC)c1	409396834	BSPSPYHNIPTMHX-UHFFFAOYSA-N	533.584	6.144	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409396887	CMBVHFOPPPQPGH-UHFFFAOYSA-N	592.833	6.836	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397727	NHCLNLGOOPFVMJ-UHFFFAOYSA-N	538.003	6.870	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCC(=O)Nc3ccc(F)cc3)o2)cc1	409403242	MFYBRVAPEPQLIC-CLHYIUPASA-N	623.685	6.253	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCC(N)=O)o2)cc1	409404280	PQYHVHTYXCTKCX-AAPHRLRXSA-N	599.869	5.310	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccccc4Br)c3C)o2)cc1	409407795	HWVHOTFMNABESR-OHUYPAJKSA-N	585.502	7.200	50	40	KKGB	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@H](O)[C@]1(O)CCC[C@]2(C)[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@H]12	503984168	XDBLYTWRNMYVCA-OBLDLOOBSA-N	544.937	8.836	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1F	1836981	NXKOQGGVHABLNQ-AMVVHIIESA-N	519.451	5.423	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1	1901264	IJZNSOKIAVPELF-ZCTHSVRISA-N	527.694	6.045	50	40	KKGB	
O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccc(CSc2nc3ccccc3s2)cc1	3235782	GGLGXZNRJAXEDX-GUBAARJWSA-N	594.765	8.963	50	40	KKGB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1	6156152	HQPJUIPCOGTJPH-JJIBRWJFSA-N	586.069	6.523	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)N/N=C/c1c(O)ccc2ccccc12	8396760	DLAJEMVZDDVCND-RPHGZPOOSA-N	648.530	5.974	50	40	KKGB	
Cc1ccc(Cn2c(SCC(=O)N/N=C\c3cc(Br)ccc3F)nc3ccccc32)cc1	9010218	VGYJKFZMJRYNPQ-WKIKZPBSSA-N	511.420	5.537	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	19940186	GFFPONULXPELFZ-NDEPHWFRSA-N	508.647	6.010	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	19953367	LRAJOSNCFJCEMB-WPWMEQJKSA-N	520.438	5.128	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1	58871116	IXAYPMXTJGIDPK-RPPGKUMJSA-N	507.812	6.063	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1)c1cc(Br)c(O)c(Br)c1	97962920	WPKFVDZICFMOBZ-HCBMXOAHSA-N	544.562	5.056	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1	98006073	BISFDBCMIZXMEW-JOCHJYFZSA-N	579.107	6.333	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)=C(C#N)[C@H]2c2ccccc2)cc1	98048574	JXYTVJATYMABSK-GDLZYMKVSA-N	611.680	5.787	50	40	KKGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100033207	GPDFGDQYFQWFII-NBRFUFBESA-N	535.087	6.182	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	100090654	JKAMAFBNALMRMY-QHCPKHFHSA-N	574.928	6.512	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(C)o2)c2cc(Cl)cc(Cl)c2)cc1	100100901	HMNGTQGBDLDXQD-OPEKNORGSA-N	559.269	5.311	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccccc1	100122805	RGFZWPBPKRIKSW-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c(O)c1	100852518	ODCDPSUKALYTDQ-LJUMEUDFSA-N	575.760	5.429	50	40	KKGB	
CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1	100991217	WLDPMPVKVZANKP-CIJMEZBMSA-N	536.245	5.201	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@@H]1c1ccc(C)cc1	101563635	QRKHXSOPMKVWND-NDEPHWFRSA-N	537.685	6.326	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)C1CCN(Cc2ccc(Br)cc2)CC1	101665952	ZXWSNOIUONGKRX-BHGWPJFGSA-N	574.111	5.042	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc12	102933820	FBJGEXZDGOLEBY-HYARGMPZSA-N	619.415	6.876	50	40	KKGB	
COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1OC	102957021	RCIJSZVEAKZJNO-SICLYYNOSA-N	575.646	6.418	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	103845180	WAFYCTSQAAFIRK-JJFYIABZSA-N	604.302	6.409	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(I)cc1	103888507	JVIVIAOKRLUSQO-HMAPJEAMSA-N	613.293	7.215	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)OC	103890520	QRDDSICWMLXVBP-QPEQYQDCSA-N	528.186	5.252	50	40	KKGB	
COc1cccc(/N=N/C(=N/NC(=O)c2cc(Br)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2OC)c1	104316834	GGCOMEPMRIUEQP-RZRWSKPRSA-N	604.465	5.681	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	105056943	WCKRUXIWJNLTHD-CCVNUDIWSA-N	500.382	5.232	50	40	KKGB	
CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341331	NVHAUPRAVYZZAV-MRVPVSSYSA-N	758.188	10.431	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)CC)cc2)cc1	150343832	KFGCACINFZDVFC-ZXHWGKOWSA-N	910.576	7.875	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	150385661	REDYSZSVYNYVRQ-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	162430840	MWORBRBZSVJBAO-LZOGPRKMSA-N	639.561	5.595	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2OC)ccc1OCc1ccccc1	408539563	XOFUGKLJFIGYCU-ZMOGYAJESA-N	623.027	8.080	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408570819	YYPBPEXVASIJAZ-SXGWCWSVSA-N	553.363	6.084	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408612064	UIPMPXQTLHMRDM-WKULSOCRSA-N	514.409	5.622	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1	408661548	XIAFALDYXCHRJB-NBGIEHNGSA-N	526.416	6.217	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1)Nc1ccc(Oc2ccccc2)cc1	408687002	OFIWTZNUJMZTRW-WGXFHILCSA-N	579.436	5.245	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c1	408710619	RYAADTRUEZMDMF-OKCVXOCRSA-N	596.421	5.813	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1	408747079	ZDEMXFFSRJQION-ZDLGFXPLSA-N	601.251	6.643	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408776009	MGZPJVXWDDUBIF-QJOMJCCJSA-N	514.582	5.964	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2ccc(Br)cc2)cc1	408777830	JUTCOKBZBUOSFE-ZCTHSVRISA-N	606.498	5.322	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I	408791298	VSOCPMUSTNGKIS-CXUHLZMHSA-N	535.179	5.228	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc2ccccc2c1	408793256	OBJFONHENZSDAY-LPYMAVHISA-N	547.836	7.389	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408793608	PQHKCQLESGNWIC-VXLYETTFSA-N	629.261	6.421	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1	408802525	YMFKJNVNMQOMEU-VIZOYTHASA-N	526.634	8.078	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	408802597	ZFMPKUDVJMTJOM-XSFVSMFZSA-N	500.396	6.315	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Cl)c2)cc1	408810310	JKYKAUACVFGPKH-LFVJCYFKSA-N	525.004	7.103	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408819404	RWIPDRFNFPQAAT-UCQKPKSFSA-N	507.417	6.533	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408821018	BMIBJRPGINIDEB-GRSHGNNSSA-N	682.150	6.627	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Cl)cn34)o2)cc1	408827230	GKELTQATMXEAAQ-CNCDYAKUSA-N	610.523	6.006	50	40	KKGB	
COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408831945	WJNPCPAJXKOOJO-RPPGKUMJSA-N	523.214	6.499	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408834494	WHNQRZPNTLVQFV-VFCFBJKWSA-N	545.038	8.197	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1Cl	408834697	VTVLECLWTODEBL-FJEPWZHXSA-N	576.889	6.395	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	408838996	LJWXRWTUMJLGRB-KBVAKVRCSA-N	617.412	5.601	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccccc3/C=N/NC(=O)c3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3)sc2c1	408839512	UBXNEMUZJDCWJN-KULFSUQXSA-N	658.588	8.967	50	40	KKGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1)S(=O)(=O)c1ccccc1	408839902	DCMYVMHLZBOLDB-NDZAJKAJSA-N	534.037	5.508	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408841228	DLBQGMDKFAAHGV-KULFSUQXSA-N	666.970	8.496	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(F)cc1	408842025	HXFUDBMDGYNUIL-QNVXDBMFSA-N	665.972	8.460	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(O)c(I)c2)cc1	408843359	DTMQLEXUZISAQH-MBTHVWNTSA-N	647.254	6.131	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408856552	HOWQBOSMODBCEM-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccccc2F)cc1	408862794	MHFKDAZTUDQFOU-DPNNOFEESA-N	609.079	5.151	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(F)cc2)cc1	408863727	PAISMVLWCXSDHH-DPNNOFEESA-N	609.079	5.151	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1	408864074	SLXALJRQGWAVEA-BYNJWEBRSA-N	544.073	5.100	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)c1	408867418	JZHBWIRYLFATLG-YBFXNURJSA-N	515.329	6.901	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1Cc1ccccc1Br	408871822	ZYPKRJPDFDBRAR-GIJQJNRQSA-N	621.700	7.161	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12	408880965	LLDDXDRCZZEIFJ-KGENOOAVSA-N	517.810	7.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1cccc(F)c1	408881852	OSWGEZHSWQQSKW-HBHSWBPBSA-N	651.480	7.478	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OC(=O)c1ccccc1	408888594	XPYOGJGGYSKMDM-CXUHLZMHSA-N	603.756	5.626	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccc(Cl)cc1	408889513	DLCYZCIQLMKUBS-WOJGMQOQSA-N	590.699	7.307	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OC(=O)c1ccc(OC)cc1	408898597	XHGYUMYXCQGKEM-WOJGMQOQSA-N	694.263	6.068	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408899902	RSDFMDDQSJTDDE-XNTDXEJSSA-N	586.298	5.454	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1	408900095	SQMCSWZNBRBFOA-UDWIEESQSA-N	568.367	5.513	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408961523	CPZZIINJQOYSQL-KVSWJAHQSA-N	507.852	5.619	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408966052	YUSINMSKGPLXCV-VPUKRXIYSA-N	529.715	6.603	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408972532	UVMNLRCHCCPGOP-NJTNCAHKSA-N	682.435	7.948	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(SCC(=O)Nc3ccc4ccccc4c3)c([N+](=O)[O-])c2)c1	408994456	ZGNVUALWRSPDTI-ZVHZXABRSA-N	536.613	6.641	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409085921	TZFYZEOAIYEIIM-AWNIVKPZSA-N	633.165	6.274	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1	409109788	LLHMJFAJSPTEKO-AJBULDERSA-N	527.646	5.437	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409111338	IFFDNLQAXKYCFR-VTNSRFBWSA-N	602.927	6.780	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1OC	409185056	QYNGIXLZZQAPGT-MUFRIFMGSA-N	606.926	5.330	50	40	KKGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1	409186520	DFBDCKMBFZEOEM-GOJREDGKSA-N	557.650	6.906	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409213004	SZPFFISCZJUPRX-KBKYJPHKSA-N	613.715	6.595	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1	409224338	KUCRNIPZXJYQDK-DKQOIETFSA-N	568.973	5.883	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)c1	409227471	YUQKYTAZSANHQU-UHFFFAOYSA-N	556.416	5.993	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)c2)cc1OCC	409227764	WLIFNVRQPVAYPM-UHFFFAOYSA-N	650.515	7.035	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccccc1Cl	409245545	VNLIMSLZMPBTIZ-HAHDFKILSA-N	553.884	6.736	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1cccc2ccccc12	409245917	AWPOSKRQGOPDTG-IPPBACCNSA-N	521.042	5.730	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409248809	QZVWCQYNMVGCCF-QRAWFLTRSA-N	504.970	5.800	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409249663	KEOJHMBTLIRDNV-NDENLUEZSA-N	582.882	6.681	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409259125	WRKLQJBWEJFHAP-NUJZUDFISA-N	605.860	5.742	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409259557	APXPIYPAIASKND-GRSHGNNSSA-N	615.855	6.133	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1	409264787	QGSIKZMLRCSNJC-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1ccc(C)cc1C	409272749	SDHBNEFGDYVFSJ-IDWIKUEFSA-N	595.696	6.461	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)cc1OCC	409304860	SJLJANODZNDVNL-MBTHVWNTSA-N	640.350	5.849	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1OCC	409310373	AVYARYNTOJXTQI-MNDYBZJGSA-N	535.855	7.177	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409312804	MQCPYWNQHKZILL-BKUYFWCQSA-N	515.363	7.162	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCc1ccccc1	409335905	QGHPLWZXVVCENT-GTWSWNCMSA-N	544.629	5.504	50	40	KKGB	
CN(C)c1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1	409368236	VCZWWRNDZVYXSV-MUXKCCDJSA-N	598.350	5.163	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(I)cc2)c2ccccc12)Sc1nc2ccccc2s1	409383937	QMJMFXVEWXVJHS-DEDYPNTBSA-N	549.462	7.561	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccccc1	409395601	PPUGLUHEHZQCMJ-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397470	KEVBGOFPLPZPER-UHFFFAOYSA-N	615.517	7.590	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397568	LJGREWNRVHYZAC-UHFFFAOYSA-N	548.382	6.726	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(F)cccc4c3-c3ccccc3)cc2OC)c1	409397687	MUQLQRPBQQMRGS-UHFFFAOYSA-N	537.547	5.974	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397815	OITLEELWZHFJHC-UHFFFAOYSA-N	535.575	6.664	50	40	KKGB	
C#CCOc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409405043	RWJYYWAUISKZHK-CAQPMQTCSA-N	590.474	6.203	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(Br)cc3)o2)cc1	409405289	SPECLYZESDRIAR-HQDYHJHZSA-N	643.494	7.280	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)o2)cc1	409410220	UATKBTGVQOPVDO-MWBNBJEGSA-N	602.474	7.556	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(=O)CCCCCC)CC[C@]4(C)[C@@H]3CC[C@@]12C	504246584	PZBUHTHCCFTXDY-HWVQGCOPSA-N	658.644	11.169	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc(C#N)cc1	1529548302	CDPDKQBVMSVHGU-LVOLJPLZSA-N	835.462	5.231	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	1809337	YJHBVRKBPPYAGF-QNKGDIEWSA-N	554.764	6.629	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC	2054988	JCBQVTQERRPBNZ-UVHMKAGCSA-N	503.338	5.002	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccc(C(=O)O)cc1)=N\NC(=O)c1cc(Cl)ccc1O	5580223	GKSLQSVMJAZWKM-LTOHIISPSA-N	557.998	5.561	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1	9065789	AHUSXJCAUMQRCG-SJIPCVTESA-N	517.658	6.542	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	9310799	XSNDLPWXEWSBJX-JLPGSUDCSA-N	511.419	7.289	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	15231349	JSQYKCYUYIWSQL-MWBNBJEGSA-N	519.611	7.345	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1c2ccccc2cc2ccccc12	16248443	SAPSOPLJTRFWCG-GTWSWNCMSA-N	507.615	5.723	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2cccc3ccccc23)ccc1OCc1ccc(C(=O)O)cc1	16689047	JSFTYSSIXFLNAW-OCSSWDANSA-N	514.603	5.758	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(N2CCCC2)o1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	59247839	YATCTUHYJYXIGR-NTFVMDSBSA-N	511.464	6.266	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	59855673	ZQBZGUXLZFYNBK-KBVAKVRCSA-N	568.017	5.883	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1Cl	97951268	CURSBTOVTVIJMS-DEOSSOPVSA-N	546.476	5.559	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	97961030	YGPMNOZAXRVJDP-ZNLRHDTNSA-N	625.926	7.070	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccccc1F)c1ccccc12	98008192	FPBGTAKKNFWMFQ-UMSFTDKQSA-N	575.043	6.985	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl	100041907	MIWVGRLXTBZQMU-HYJBYXKKSA-N	612.038	5.608	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100123758	BSPJOUXZBQSHGQ-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccccc2F)cc1	100124039	NPJHWHIUZRLJDB-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125272	MVXMQTNSXTVVAT-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1Cl)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	100878418	AESPXFCPZQPPLF-BUTHZZEHSA-N	528.848	6.712	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1	100977487	LZMDJRDFNHDSEP-QIBQIDICSA-N	522.457	6.621	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(OC)cc2OC)=C(C#N)[C@@H]1c1ccccc1Cl	101305191	WVEGPLWTERJMQP-MHZLTWQESA-N	590.101	6.125	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)N1	101630988	LZMAFLRHNALONE-WJOKGBTCSA-N	614.683	6.070	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	103883817	FLPXHGNVVXQFFL-HFTWOUSFSA-N	551.090	6.582	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl	105403215	BXZUAVAFNAMWQI-LGJNPRDNSA-N	579.778	5.594	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccccc1	105585514	XYVRCWICDWOYOI-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)CCc5ccccc5)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1	112255632	QQFIXNHHVBYHED-VKECNIGMSA-N	584.632	5.189	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342064	SVPCIQNDESBODH-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
O=C(N[C@H](CSSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O)OCC1c2ccccc2-c2ccccc21	150352777	IRQYKZZFOSDZHP-ROJLCIKYSA-N	684.792	6.352	50	40	KKGB	
O=C(OC[C@@H](I)CC(F)(F)C(F)(F)F)c1ccc2cc(C(=O)O[C@@H](I)CC(F)(F)C(F)(F)F)ccc2c1	150381625	MSXGGRUKKADJCK-LSDHHAIUSA-N	774.127	7.894	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	162473098	CFVZHBZWCGEQFL-ATZGPIRCSA-N	677.404	6.689	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	164587285	NZTXKQFBFLPPTQ-VULFUBBASA-N	626.232	5.637	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	216061846	OGXPCGAPLHMMII-CCVNUDIWSA-N	674.704	6.681	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408541782	HQHUEJMIINATRB-IUXPMGMMSA-N	546.204	6.579	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1nc2ccc(F)cc2[nH]1	408570822	YYWJWIQJMDVQRM-CHHVJCJISA-N	564.185	7.257	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OC	408580745	DQZLURFXBNDXHZ-DJKKODMXSA-N	514.803	6.771	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1Cl	408601888	CCYCWSJOPFFOLO-IPBVOBEMSA-N	525.219	6.276	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408643039	OLWZHNGPTRZONS-JQVVWYNYSA-N	568.284	6.226	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1	408723915	AIBFMTLDLKKTQU-QCFMCPCVSA-N	522.608	7.035	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408746056	QMBDZBAPVRDYCL-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746646	UVLUVPVUZXROGF-NDENLUEZSA-N	690.706	7.827	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)Nc1ccc(I)cc1	408752126	BVTUTEYAOFRHKI-WJDWOHSUSA-N	592.220	6.161	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1	408786838	WLTHECGFBKWILK-ZCTHSVRISA-N	552.018	5.987	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1cccc(C)c1	408791993	GIEMHFHOPAOFQP-YDZHTSKRSA-N	566.439	6.740	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(I)cc1	408792534	ARVBRDXQXLVAFI-WOJGMQOQSA-N	619.253	6.283	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1Cl	408793623	PSVSXFMNILSBLC-LZYBPNLTSA-N	566.666	7.543	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408795462	LGEOLZFKMAAUNV-VXLYETTFSA-N	559.833	6.957	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cccc2ccccc12	408796409	OVANHQFATQQSAG-MFKUBSTISA-N	555.472	7.743	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1Cl	408799275	YNVPKYBRYBFSFF-VIZOYTHASA-N	615.536	8.296	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1	408809954	HVLVHNOBQCRXRX-OQKWZONESA-N	527.418	7.126	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(Br)cc1	408816492	LNYUOXSMTUQQMA-WQRHYEAKSA-N	574.244	6.874	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408819165	ZWBJBJNVRLESHV-PIMODXEOSA-N	670.402	6.716	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1cccc(F)c1	408840337	DOFDIPYFLYPNNH-IIHBXENTSA-N	637.453	7.088	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)c1ccc(Br)cc1	408841222	DHORPTWJLNCUJU-OCSSWDANSA-N	576.403	5.676	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1O	408843628	MLVLQTXWUWPHGW-XODNFHPESA-N	571.884	6.838	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408849663	XKTBEDJQCYIZLC-PPDIBHTLSA-N	609.645	6.796	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408850825	RSKFIDJDSHZDAI-QDTIIGTASA-N	664.250	6.450	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1	408858876	RDPPUXUSDXMYAH-DXJNIWACSA-N	517.614	6.837	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2cc(C)cc(C)c2)cc1OC	408861585	DDWUPAUZXHUIPM-KPGMTVGESA-N	616.523	6.233	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408862482	KBWMRLPUOHZPCF-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408862592	HRRAOWWTYHEUSV-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1Cc1ccccc1Cl	408869275	QIQAMSFEYZWHBP-LICLKQGHSA-N	563.222	6.743	50	40	KKGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408871389	XYXBLFSTIQMAPM-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3F)c(OC)c2)cc1	408872868	KJPBDOMLAPKQKE-YBFXNURJSA-N	570.358	5.362	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	408878774	AYPPPXGXHPXFBO-OCSSWDANSA-N	636.952	5.420	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2)cc1[N+](=O)[O-]	408883115	SVLQWVFIZBMPTN-LDADJPATSA-N	511.943	5.178	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1cccc2ccccc12	408888247	XWJGVJDMFJFQRG-MUFRIFMGSA-N	527.627	5.920	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)cc1	408892444	ZJGZVIKLCAAVLF-OQLLNIDSSA-N	500.294	5.884	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OC(=O)c1ccc(OC)cc1	408895912	OKJBVZKIQPMZBJ-XDHOZWIPSA-N	569.839	6.583	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1cc(C)cc(C)c1	408898437	LHDOXGMDXSRULP-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)c([N+](=O)[O-])c1	408924814	OOJHASOMQWAAGN-GIJQJNRQSA-N	695.251	6.246	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)c(OC)c1	408947675	BEHBUXWRNDMBJG-WLCOTJRJSA-N	736.019	6.563	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12	408948542	PIIVBOGSTVIKLU-YTTGMZPUSA-N	608.720	5.304	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCCOCCOc1cccc(C)c1	408964663	YARRQDSCGWTPOF-JJIBRWJFSA-N	535.040	6.376	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(Br)c(O)c(Br)c1	409021058	XJBHTCQCGWHFPP-WYMPLXKRSA-N	506.194	5.623	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)S(C)(=O)=O)cc1	409024966	OIKXOHDZRPQJOO-BIZUNTBRSA-N	562.091	5.958	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(C(=O)O)cc1	409038903	FVSRAVJTYSQYRS-GXBUFBABSA-N	545.595	6.342	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cccc2OC)cc1	409040945	ITLVSANXCVASNR-XICOUIIWSA-N	559.622	6.430	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1cccc(C)c1	409046734	LTDZADOJECWMBB-LPYMAVHISA-N	609.464	6.178	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1Cl	409051968	PCACGRKMYQDFSQ-BRJLIKDPSA-N	502.752	5.662	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1cccc(Cl)c1	409119319	RYPPHGZMTSZXCJ-CPDSRJINSA-N	557.941	6.639	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409123744	DMMOQHLYCYUDFT-NRFANRHFSA-N	701.096	6.161	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1	409156441	NSMPRGHXGFSKQM-VVEOGCPPSA-N	666.754	5.678	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	409219906	WLEPGONXMPLIPE-MIZIBPICSA-N	598.999	5.892	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1	409222093	AWDQTWOIDPDUHS-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccc(Br)cc1	409223800	IBPBBTODBRIDPY-UHFFFAOYSA-N	620.887	6.737	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1cccc(C)c1	409224029	JZMNSSNHZFMNOP-UHFFFAOYSA-N	521.573	5.547	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)n1	409247097	GGJQHVLURCJLGL-OPEKNORGSA-N	566.852	5.173	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)c2)cc1C	409258677	YQLUXOZLGTWXHI-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409263084	GVBIEKYRZFJXES-KEBDBYFISA-N	629.882	6.442	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409263712	NVBBSEMIUKOYTQ-KOKCXWAISA-N	654.192	8.004	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(O)cc1	409264487	LOOLLLAVZZHFTA-LFIBNONCSA-N	526.774	5.371	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409271504	LTFFIOZMLJRCLP-MUXKCCDJSA-N	544.833	5.591	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)ccc1OCc1ccccc1	409310707	WFFZMDAFJXSXCQ-MZFJOGFUSA-N	559.460	6.770	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OC	409315581	JWTIWIOIIYYITF-MWLSYYOVSA-N	507.974	5.003	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)ccc1OCc1ccccc1	409319686	KGMKGJRWLNMTQH-DLCNMLRHSA-N	567.444	7.453	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)ccc1OC	409325249	YFEXTYPTWYUXKQ-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2)cc1OCC	409326381	JYOBVAFSPGJPND-MNDYBZJGSA-N	633.337	6.099	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409371754	NDVYANWLMYWSOD-LSCVHKIXSA-N	503.769	7.597	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccccc1F	409378227	NTGLWJPQGYINJX-WQRHYEAKSA-N	538.373	5.468	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)cc1	409395102	JXJMSHNEMOLYRJ-UHFFFAOYSA-N	570.418	7.028	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395150	KKUFHXVYTFETHG-UHFFFAOYSA-N	723.805	8.288	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396269	ITCOASXIKHTJAJ-UHFFFAOYSA-N	632.500	7.541	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409397532	KYKKOOPKABWFJK-UHFFFAOYSA-N	580.830	7.917	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409398095	QKWIIWSPMHPHHL-UHFFFAOYSA-N	621.999	7.507	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398455	TWNZIOIKDNSHJY-UHFFFAOYSA-N	666.959	8.786	50	40	KKGB	
C=CCOc1cc(N(C)C)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409400696	FCSGKMRNODGFJY-DXJNIWACSA-N	512.610	5.661	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409403420	MSNYOTDQVDFUEP-CPJHJSKFSA-N	638.515	6.132	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc(Cl)c(Cl)c1	1529549194	UZEWZSKDCQGOFD-CKMXFPERSA-N	879.342	6.667	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1	1529549213	VMCBDFPPKYFEGD-JKYKOXDNSA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	1529549422	YMTDHAJWQROQKS-CKMXFPERSA-N	785.342	6.982	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccco1	1237615	GCFNXMFXEBVUGV-SANMLTNESA-N	514.607	5.303	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O	2229365	CMDQABSWROSQQT-HNSNBQBZSA-N	508.747	7.371	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(Br)s2)nnc1-c1ccc(C(C)(C)C)cc1	2239142	MJIMUCRWIYBRPT-FSJBWODESA-N	506.495	5.329	50	40	KKGB	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccccc1Cl)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6089780	DSXQTTNZNHITDJ-DWPCHRKESA-N	560.459	7.594	50	40	KKGB	
CCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1	8449622	HBXJPCOGFXIIIE-OCMVRUFMSA-N	541.280	5.235	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)c1C	20214630	VHHHFWHIIZYURX-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(CCOc3cccc4ccccc34)c3ccccc32)cc1	46085202	LMDNSHROWDISJF-BVNFUTIRSA-N	521.617	5.462	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1	59382988	JQQZXMFONPUBFC-RDRPBHBLSA-N	507.656	5.190	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	97951908	SPLIVXPCCPVJRQ-DEOSSOPVSA-N	546.476	5.559	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)N/N=C/c1ccc2ncccc2c1	97962740	JSBVYIHPSBZODS-ZSNJKBEMSA-N	587.477	7.409	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c1C	100100267	NZDXJHFUHVNTBS-VTNSRFBWSA-N	560.561	7.671	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1	100130069	KVAZEBANKWULDM-MZFJOGFUSA-N	583.541	5.785	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccccc1Cl	100226604	YKOOYVZDAOTGSL-ODLFYWEKSA-N	594.674	7.749	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)cc1	100240070	PMXKMBKXAFHFIO-ZCTHSVRISA-N	609.546	5.601	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1	100851169	SQYYHYBGRNVPMH-PKAZHMFMSA-N	536.455	5.338	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc(OC)c1OC	100852155	ATMCYPGNMOUMDD-CAQPMQTCSA-N	573.719	5.808	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(OCc4ccccc4)c3)nc3sc4c(c3c2=O)CCCC4)cc1	100852467	ZDKGLDBKCDOLBZ-FZKWRIDDSA-N	594.762	6.456	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)c(O)c1	100854682	JTWNEDJJWHNWAV-STBIYBPSSA-N	541.121	5.898	50	40	KKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ncc(Cc4cccc(Cl)c4Cl)s3)o2)cc1	100878814	ZITGLCWKNZLQIX-KGENOOAVSA-N	580.493	7.803	50	40	KKGB	
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1	100990818	HWZSVZPFZOZJGN-CTBJKRMSSA-N	526.239	5.745	50	40	KKGB	
O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1	101052261	HRYPILXPBHYOQT-RCTKEMKKSA-N	541.239	5.914	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cc(Cl)ccc3OC)=C(C#N)[C@H]2c2ccco2)cc1	102808239	VYVTVRPSYKRSNQ-MHZLTWQESA-N	579.078	6.047	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Br)cc1	105082395	NZHSWUVHLFXROP-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	105226836	OKIPQKTVSCOCRO-RQZCQDPDSA-N	550.667	7.842	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)c2ccncc2)c2ccccc21	112255695	RSXWTGVCOQAPDL-AXBAISPRSA-N	547.014	5.010	50	40	KKGB	
O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)Nc2n[nH]c(=O)[nH]2)c(SSc2cc(Cl)c(C(=O)Nc3ccc(Cl)cc3)cc2S(=O)(=O)Nc2n[nH]c(=O)[nH]2)cc1Cl	195486596	XYSNHNCTFFXVAU-UHFFFAOYSA-N	918.632	6.029	50	40	KKGB	
Cn1c(P(=Nc2ccc([N+](=O)[O-])cc2Br)(c2ccccc2)c2ccccc2)ccc1P(=Nc1ccc([N+](=O)[O-])cc1Br)(c1ccccc1)c1ccccc1	195528976	OEIVSKFBYNZEQO-UHFFFAOYSA-N	879.486	9.985	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408550433	DZUSHRHPTKEKPL-BCHBDCPOSA-N	600.094	6.300	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccccc1Cl	408550600	IISVZMJHBQJDLZ-OYKKKHCWSA-N	518.838	8.298	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408550914	IHFPPRJDXLCSGM-LGUSAWBASA-N	678.990	7.062	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	408568048	HUIOCHPXMFYROF-KPGMTVGESA-N	628.013	7.842	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408570757	YENJZCPSWUUAPF-WKULSOCRSA-N	679.558	6.185	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1	408609671	LAWBTTYUZZIZMA-KKMKTNMSSA-N	535.225	5.732	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408640524	IGSAZHWKAMGQFD-FKBYEOEOSA-N	517.384	5.058	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408680800	GSKIVNKDPRSPTO-ZYGGUILKSA-N	589.111	5.473	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(I)cc1	408711814	LZXJHKUKRYMHGN-KBKYJPHKSA-N	742.520	6.497	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	408720151	UOMIAIOGNSAECM-LQKURTRISA-N	503.451	6.604	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1ccc(OCc2cccc3ccccc23)cc1	408725354	FNHBOLIBXKTXMF-VQNDASPWSA-N	563.679	6.149	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	408742546	ASPVQVAQVDBDLG-WQRHYEAKSA-N	684.699	7.073	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)cc1	408746032	QIMIIFIFWLTLRJ-NDENLUEZSA-N	507.384	5.899	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2Br)c1	408747409	NMNZQLRIMBOTAK-ZDLGFXPLSA-N	605.124	7.407	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408747833	ULOLJKVXBOUHIW-OCKHKDLRSA-N	501.797	6.458	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2	408750465	NKWJWPJAFIPCJJ-VTNSRFBWSA-N	589.442	5.152	50	40	KKGB	
N#C/C(=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1	408752224	CIOPAMHVMMFMJW-QNGOZBTKSA-N	533.403	5.916	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12	408755622	OXQPBJONSIMHNG-CLCOLTQESA-N	510.549	6.960	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408766123	PBLOGFUUWRIWSX-YBEGLDIGSA-N	500.769	6.210	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(O)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795698	VYEFKQBRTLQAOK-LICLKQGHSA-N	575.200	5.884	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408824437	HPVHKYRLFNBSOY-JBASAIQMSA-N	639.549	9.459	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(F)cc2)cc1	408824884	AXGWSWAXPNRNJB-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408825948	BRNKNEJUFDKXQA-PPOKSSTKSA-N	601.725	5.717	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccccc2)cc1	408827102	FWUKBQQNVXRAAT-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OCc2ccc(Cl)c(Cl)c2)c1	408830441	PNBOXOUJIGNASH-RQZCQDPDSA-N	547.822	6.797	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1	408830553	NQYATTKKQKJNGM-HKWRFOASSA-N	645.362	7.286	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408838132	CGNKQWAFBPSLTC-ALQBTCKLSA-N	642.621	5.255	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(I)cc4)cc3)cs2)cc1	408842376	JPENCICNDJASQT-VULFUBBASA-N	538.414	6.231	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1	408850684	QTPHDYKXKWEGCJ-ICUTVXMZSA-N	567.649	7.436	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408850740	DNRZCUPGMGFMGJ-QJOMJCCJSA-N	546.048	6.178	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408851913	BLRPGCGWMQYIQM-FZSDHLTPSA-N	658.596	9.110	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Br)cc1	408853940	TWXINAUOBTVFNU-RHKOWXKBSA-N	604.548	8.287	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408857311	NPAYVHCQUGSWAW-PPDIBHTLSA-N	603.223	6.218	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	408861384	RGHFCZBJTUQKIX-DPNNOFEESA-N	713.563	5.308	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408861642	DXCXZNWTVRMMMX-ALQBTCKLSA-N	650.595	6.308	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)c(OC)c1	408871372	YVOGKCWEIWAWQW-ZVBGSRNCSA-N	705.290	5.587	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3cccc(F)c3)c(OC)c2)cc1	408874206	ZJDWSZVYTDFFQW-RGVLZGJSSA-N	584.385	5.752	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408879877	HPVFELFFNBQNHX-VIZOYTHASA-N	537.186	7.333	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1Cc1ccccc1Cl	408884570	YJGRQYDCSMFHBV-UDWIEESQSA-N	556.831	6.788	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1Br	408887586	SBRUOXPLTRBNGU-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Br	408887591	PDVSJSOCIKNBDE-RQZCQDPDSA-N	542.773	6.144	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408887610	PJVJRWYLWQTEKA-CXUHLZMHSA-N	522.215	7.433	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1F	408893114	FMASGBHTEFSVJD-RQZCQDPDSA-N	549.318	6.740	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2C#N)c(OC)c1	408947888	BNVTZYPDPXMZJQ-DLVDTJDKSA-N	666.518	5.173	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1Cl	408949361	HUCDODQUSWTXRP-MTJSOVHGSA-N	520.416	6.328	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408964146	PJNTVUQSEUSKER-CYISTXKASA-N	602.902	5.313	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1C#N	408970973	FJOZYCBQYHXKLL-MBPMXQBASA-N	724.439	6.860	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(Br)cc1	408985250	WAVRWYXLOLADMA-YBFXNURJSA-N	651.726	7.539	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1cccc(Cl)c1	409001029	ZWFLWKPVLXLJCP-LSCVHKIXSA-N	641.630	6.891	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCc1ccccc1Cl	409008908	ADSDPLMIYUIBPK-VPUKRXIYSA-N	718.567	7.567	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC	409019965	YJSLFXWNZSDTFN-PYHKUYJSSA-N	627.363	5.617	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(C(=O)O)cc1	409032458	JAJGBMOKQFHVMS-HQDYHJHZSA-N	657.464	6.556	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409032899	KHZCBJVEGHKRFP-FDAWAROLSA-N	549.612	6.805	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409044180	TWCVMHFAVYZBIG-LDADJPATSA-N	554.828	6.064	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)c3ccccc3)cc2Br)cc1	409058055	QWBAYBWFRXUFIA-WOJGMQOQSA-N	533.241	6.352	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)Cc2c(Cl)cccc2Cl)cc1	409058244	JVQJNGOLOLSDMB-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2ccco2)c(OCc2ccc(I)cc2)c1	409063109	HBBUCZZQDYSWOA-MYYYXRDXSA-N	517.367	5.073	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409074509	MJHBLNHYFVBZLJ-PXLXIMEGSA-N	537.037	6.089	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409130339	LKZDYXDGOHGIKF-XMMPIXPASA-N	652.360	6.560	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409155118	BUFXUBZPHPIYSP-XAZZYMPDSA-N	591.384	5.137	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OCC)c1OCc1ccc(Br)cc1	409167826	JXSPVVZIHSTKIL-FABQOPTDSA-N	647.397	7.721	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	409185328	XHKIOGOOLGOZDV-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409222119	BJNDKLXWFRKTPH-UHFFFAOYSA-N	690.175	7.754	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409225678	QXTCTGOLWKAJSA-UHFFFAOYSA-N	581.581	5.058	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	409258412	XLAYEBKDJDJFCB-QORIIEMTSA-N	561.263	5.838	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409263462	KZQXIXCCVXHHDK-VYYCAZPPSA-N	575.257	5.392	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)c1	409263926	IQQUXDTZIINCBR-QDTIIGTASA-N	589.284	5.618	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409264936	MYAWVXNGEOVSQS-QDTIIGTASA-N	544.833	5.509	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409265715	OEEYXQLMOQEXAS-IPBVOBEMSA-N	677.562	6.611	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	409268107	ZQGWMDWTSNYTRO-RQZCQDPDSA-N	637.250	7.102	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)ccc1OCc1ccccc1	409363289	LHMHOVNZHGDLSG-APTWKGOFSA-N	541.579	5.585	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	409373856	VGPYBRLDTIKGMZ-FJEPWZHXSA-N	645.291	6.567	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1	409376900	BRAQFCZHNPFHIN-YVLHZVERSA-N	526.376	5.574	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384275	AEWYGAAVHLBABI-BRJLIKDPSA-N	602.366	5.665	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2)cc1	409384688	DSQSYUZCFQBCLA-FZKWRIDDSA-N	591.693	6.652	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl	409395926	UBDGMJDYWCOFQE-UHFFFAOYSA-N	655.307	8.035	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)cc1OCC	409396001	VAZHOJVMEWHBDG-UHFFFAOYSA-N	719.430	8.449	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396316	LCGZARBPWSGHKP-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397195	HHHUUKJKSJEEMZ-UHFFFAOYSA-N	612.038	6.607	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398096	QKYVAZRKUKYYCS-UHFFFAOYSA-N	600.990	6.917	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1	409398522	UFTOINVDECEYAP-UHFFFAOYSA-N	527.964	6.463	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)c1	409398767	VPDRPRZUOYOAGA-UHFFFAOYSA-N	519.557	5.835	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)cc1OCC	409399315	ZKJRCSYXHIUMSZ-UHFFFAOYSA-N	673.507	7.220	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1cccc(C)c1	409401616	HSVQLVVFUUWKDF-QJOVZPHJSA-N	593.680	6.935	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccccc1F	409403752	NQDDQDSFRNOYRS-AEUUOICLSA-N	612.614	6.665	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccccc1C#N	409403804	OCPHHXTUGUFNHC-UUSDDZCZSA-N	702.005	8.295	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1cccc(C)c1	409404757	QXKLYULQIVPVEZ-QJOVZPHJSA-N	622.678	7.224	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)CCCCC)CC[C@]4(C)[C@@H]3CC[C@@]12C	503922229	LUCINILKTDTAAV-MTLCQTQZSA-N	549.349	11.132	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1	1768504	SINUCFOKCRQZAW-ZMOGYAJESA-N	506.122	5.572	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)sc2c1CCCC2	1769639	SRDFADIMTWNWCT-LTGZKZEYSA-N	509.631	6.352	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1777343	LSUKVHCPMWPQAQ-UXHLAJHPSA-N	513.667	5.791	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1	1804700	KDMIJDLCIWFQKY-JFLMPSFJSA-N	520.705	5.290	50	40	KKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccco2)c1	3081797	JLGQJJLKTBVKSJ-KKMKTNMSSA-N	578.257	5.985	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(I)cc3)o2)cc1Br	10118433	DJXJGKPEQAHTQQ-SSDVNMTOSA-N	509.141	5.386	50	40	KKGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(C(C)(C)C)cc1	12463412	OMMGUWTYJYOCOV-NJZRLIGZSA-N	511.695	6.562	50	40	KKGB	
N#CC(C#N)=C(C1CC1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]12	13597153	VJZCKEQNVPBUPV-LYXINOJLSA-N	502.017	6.961	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	14134549	CLIXHIDMBXNVGC-WKULSOCRSA-N	517.379	5.603	50	40	KKGB	
COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccccc1Cl	20028842	WJYVZPVCYCGHRB-RUZDIDTESA-N	504.011	5.734	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	20461285	DTCXPEQQSVWKTK-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1	59249290	YOIUFXOIIDKSOV-UVTDQMKNSA-N	503.805	6.791	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccccc2F)cc1	59856328	KYCNFFSXDMQRHS-FDAWAROLSA-N	536.028	5.947	50	40	KKGB	
N#C/C(=C\c1cn(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c2ccccc12)c1nc2ccccc2[nH]1	97962144	GAITYCJDMPUFAN-HMMYKYKNSA-N	570.575	6.076	50	40	KKGB	
O=C(N/N=C/c1ccc(-n2ccnc2)cc1)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	97981216	JCRRRRZZOIHVAK-XZYGTATASA-N	602.091	5.820	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	100125654	RCJQKDWAKRMORN-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126271	IWMQTEGDTKMKRD-KBVAKVRCSA-N	597.510	5.650	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)c1	100127800	OMXBPBNNSVASBK-NDZAJKAJSA-N	530.650	5.111	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)c2ccc(Cl)cc2C)cc1	100138760	BCOKYSAUKAVQCT-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OCC)c(OCc3cccc4ccccc34)cc2Br)cc1	100215768	IYMCMFRDOLPHMS-JLPGSUDCSA-N	571.471	7.524	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	100398133	CBSQSKKMTUZHNG-OHUYPAJKSA-N	625.534	5.352	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	100568997	XLJAMQKOVXSRCA-MHZLTWQESA-N	530.049	6.299	50	40	KKGB	
CCCCCCCCCCCCCCCCNC(=O)[C@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C	100867853	QZQFKTHWSDENLQ-MZBJOSPHSA-N	628.372	9.270	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1	100991329	SEJLFMRMTZWUQP-CKVBZJJFSA-N	528.848	6.712	50	40	KKGB	
Cc1cc(=O)oc2c(C)c(OC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)C)c(C[C@H](Br)CBr)cc12	101053250	KOKUZDLUKHUQFA-NZQKXSOJSA-N	623.338	5.967	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)OCc2ccccc2)=C(C)N1	101554694	BVJRGGMPVVSKAT-LJAQVGFWSA-N	558.103	6.714	50	40	KKGB	
CCCCN1C(=O)/C(=N\NC(=O)CCCCCCCCC(=O)N/N=C2\C(=O)N(CCCC)c3ccccc32)c2ccccc21	102664157	NNDRYBQQJXJGIF-ZNUUIMKISA-N	600.764	5.442	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)N1	102807611	YNIMJJLZGGGTPW-XMMPIXPASA-N	557.981	6.903	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3nc4c(s3)CCN(Cc3ccccc3)C4)cc2)cc1	102939578	ZBSDLCMPIIXVCA-KOEQRZSOSA-N	534.641	5.775	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	105627060	ALQNGGMPDUCNMN-ACXHZZMFSA-N	556.446	6.360	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)[C@H](Br)[C@@]4(C)[C@@H](CC[C@@H]4/C(C)=C\C=C(c4ccccc4)c4ccccc4)[C@@H]3CC[C@@H]2C1	123338728	UKFMVSQONDNDJQ-MMPCUSONSA-N	629.679	9.208	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	162472789	KZJKIMPUCZOFPL-ALQBTCKLSA-N	650.595	6.308	50	40	KKGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	195491062	YZHKRXBIMOGRMG-RBODFLQRSA-N	610.037	7.109	50	40	KKGB	
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1	203852716	JUHAOHJRZIHKIP-ROJLCIKYSA-N	654.899	9.823	50	40	KKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc21	223504484	UQVMQGUJFZTPPW-KKMKTNMSSA-N	549.307	6.400	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Cl)[C@@H](Cl)c2cccc([C@@H](Cl)[C@@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	226333587	QGMPHGMLCHYYHU-LRSLUSHPSA-N	604.186	7.839	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408539792	JSXCLHFXGCAQLO-OHUYPAJKSA-N	593.905	7.423	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551328	KDHCCMXXQZZFGN-DBFSUHOCSA-N	579.278	6.244	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408579918	LJYWSRNKNYGEKW-OQLLNIDSSA-N	523.294	8.176	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408612375	YHEILMJFLXHGAN-IBGZPJMESA-N	528.436	5.776	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1	408640139	AMFYXUKILRJZCP-SALHHSCVSA-N	728.821	5.886	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408641084	JOOYWXWFLOIRBG-MHORFTMASA-N	661.572	5.265	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408647288	UYWGBJKCSJFZSL-LJRRSDMTSA-N	570.300	6.306	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1	408727042	DEMMZTMCQHTVAK-KKMKTNMSSA-N	531.790	5.573	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(I)c1OCc1ccc(Cl)cc1	408729444	ZWFNWNFXOHOOAC-RWPZCVJISA-N	578.834	5.624	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408729796	DCXYULGASLTBCD-VFLNYLIXSA-N	666.328	5.974	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)c1	408745578	SUOSVLQFNMNJTQ-QRVIBDJDSA-N	670.288	7.482	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)c1	408746043	QJTNJHVZIUEPEU-QRVIBDJDSA-N	700.314	7.572	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1F	408746760	GRVKXIOWTOUOSX-YBEGLDIGSA-N	517.196	6.304	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408788679	FFOFTVGFYKCLNT-VCHYOVAHSA-N	556.800	6.534	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408789112	OAUIWBFDYQDOGI-GZTJUZNOSA-N	530.749	5.775	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408791145	UUUSZJCATCRZBA-GIJQJNRQSA-N	552.337	5.189	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)c1C	408794799	KBALZKFMBVUDLE-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1	408796830	PKBJLTNRGMSADX-YBFXNURJSA-N	511.361	5.913	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408825622	FCAYFNSJOJZOSR-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408826991	UKJSGGGSJWAFEC-RQZCQDPDSA-N	576.672	6.998	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408844516	JUTRKDYOVZMLQE-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cn(Cc5ccc(Cl)c(Cl)c5)c5ccccc45)cc3)cs2)cc1	408846740	RGVIJLZSVWGLQO-KULFSUQXSA-N	610.570	8.936	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	408850971	SQBWFYKMKIZBID-LRIZEKIPSA-N	614.543	8.711	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1	408852275	RMRSQVFKYNSAED-WKIKZPBSSA-N	605.226	6.151	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1	408853126	PZHIOCPOJLJKEA-XLNRJJMWSA-N	532.021	5.870	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	408879621	HFFNNBISJJDFKY-DEDYPNTBSA-N	555.450	5.642	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Br)cc1	408880163	GFYFBHACQIHYAX-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1cccc(F)c1	408881318	KQVDNTLHIQEDIK-VCHYOVAHSA-N	560.338	6.093	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)c(OC)c1	408884239	XKHFSRVCLDYLGW-RGVLZGJSSA-N	525.374	5.408	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OCc1ccccc1Cl	408889669	ITPGUNUSRTXIAC-ODNPBWNPSA-N	599.599	8.355	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc2ccccc12	408889876	KHODOKYQAIGWOU-HAVVHWLPSA-N	547.408	7.520	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Cl)cc1	408900381	VLAJFGCUBVTCDR-WOJGMQOQSA-N	501.391	5.924	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccc(Br)cc1	408925547	SAPYZOBLZAIPLY-RQZCQDPDSA-N	668.123	6.949	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)c(OCC)c1	408946374	MNQGZELOJIHUBG-UUWRZZSWSA-N	652.773	5.703	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)c(OC)c1	408948231	CJQSNZBNEZYXJE-VVYBVRPNSA-N	720.404	6.064	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	408950866	SOENSVFWYOKKSQ-CLAOXVRQSA-N	797.430	5.914	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)c(OC)c1	408954173	NEGFYNOCKHFPFC-GNERFYITSA-N	674.552	5.181	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OCC)c2)c(OC)c1	408955884	PNAAKOKBVRVUNR-VIIJZLMMSA-N	792.627	6.151	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)c(OC)c1	408956182	PTUUHYJDLAMSIA-LQNDSBPTSA-N	765.401	5.972	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408956536	QXAAWRSRWAOECG-KVNFINCSSA-N	822.407	5.270	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)c(OC)c1	408957324	UDHSHHFPWHUNMD-HVJLQFNCSA-N	703.949	5.549	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C#N	408969016	FUZNTDIORXMBSY-YMAGSAIWSA-N	659.570	6.488	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	408971624	KMNBURXPQLZPBR-JGCBUATPSA-N	696.462	8.257	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1	408979620	NJUOJMSPLTYWCH-DRQPSCMVSA-N	542.405	5.495	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1C	409011551	GFUTYZXNQHWILX-XSJVISIOSA-N	551.474	5.439	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1cccc(C)c1	409021011	WVBRBBVENDBKBP-VVEOGCPPSA-N	667.725	7.503	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccc(C)cc1	409022369	LTVJKUXZUKZSEI-NUJZUDFISA-N	541.829	6.899	50	40	KKGB	
COc1c(I)cc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409033238	OEJYILFWSWUVHI-MZJWZYIUSA-N	541.776	5.932	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCc1cccc2ccccc12	409072275	RISZPOKGWGIQJT-VUTHCHCSSA-N	502.614	6.769	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078650	IWCRCHZKYYGGEG-HYARGMPZSA-N	565.548	7.696	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409083696	LLUKGBAMXCZRMG-OVCLIPMQSA-N	519.819	7.040	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409091311	PIEPTOMIQWEVCJ-FYJGNVAPSA-N	551.521	7.306	50	40	KKGB	
CC(=O)Nc1ccccc1Sc1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]	409119640	XKDIWXAVAKRRIW-ZRGSRPPYSA-N	533.393	5.540	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccccc2)cc1OC	409120541	ZTVZYEHSCRBZLV-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)cc1	409141790	WSNRRYWIUZNQJX-QFIPXVFZSA-N	576.818	5.737	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C2=C1CCCC2=O	409147624	NBCDATYAPAIJFY-NRFANRHFSA-N	682.256	5.113	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Br)cc1	409180232	VCILSHVJJMTFRH-LGJNPRDNSA-N	624.229	5.704	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)cc2c1	409186688	GNKDFXBRWGGLBW-VYYCAZPPSA-N	538.354	5.845	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	409199303	BKBAIUKWWVLBJK-LUOAPIJWSA-N	558.712	7.231	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccccc3)c2)cc1	409222755	FENYHNZQNQKKSF-CFQFWYOCSA-N	677.349	6.855	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC	409224696	LXHWNCPQNYVBBD-CHQORIJYSA-N	782.398	6.781	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1OCC	409224708	LYQMKTLWIZCEBR-LJUMEUDFSA-N	552.027	5.715	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409226132	SHDBWBVDGHGZQY-UHFFFAOYSA-N	596.854	6.891	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc(Br)cc1	409231448	JDEPIKWAAGQNIF-MUXKCCDJSA-N	611.249	5.863	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccccc1Cl	409233934	IQJMEYOXHCWLBC-HAHDFKILSA-N	553.884	6.736	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409234765	MGSJUCAISHWLNO-UUMRFZBWSA-N	595.437	5.410	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)cc1	409255511	LKFVVENPISIFOY-JAIQZWGSSA-N	641.316	6.178	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409266729	XZLZAYKJKAOSRP-AEVGBRMKSA-N	745.643	7.874	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)c(OCC(=O)Nc5ccccc5Cl)c(Cl)c4)cc3)cs2)cc1	409272421	YQDAAKHCRMATOQ-HTVDVWKISA-N	665.002	8.604	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1OCC	409301724	FZSXAXYZGFLFGI-UHBFCERESA-N	513.421	6.608	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1OCC	409319918	NPMAFUPLSGXLEQ-LJUMEUDFSA-N	589.914	7.032	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCc1ccc(Br)cc1	409368474	XMEBPLLVNMAIDP-ZDLGFXPLSA-N	672.098	7.310	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409371077	ASAARTOEUJUHJX-IUXPMGMMSA-N	514.719	6.562	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)c3ccccc3F)cc2Br)cc1	409371120	BHAWOVGPWWYSDZ-ZDLGFXPLSA-N	501.193	7.302	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)c1	409394593	CNBQAXGTEJVOPP-UHFFFAOYSA-N	791.665	8.909	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397644	MGFPNYCSNKJYLS-UHFFFAOYSA-N	577.040	7.050	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)cc1OCC	409399095	XSZLAUWODFAPGF-UHFFFAOYSA-N	610.110	7.831	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1O[C@H](C)C(=O)OCC	409400625	DUSZFUMEZWCYDJ-FCXAFSJHSA-N	599.684	6.098	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(CC(=O)Nc4cccc(F)c4)c4ccccc34)o2)cc1	409402762	KXUIXHRMZBZEOC-KOKCXWAISA-N	603.654	6.763	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(Br)cc1Br	409404320	PTXYSIIFTLDYAD-FRKGHFGRSA-N	800.342	9.295	50	40	KKGB	
CCOC(=O)[C@H](C)n1c(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409406096	WADWANBILMDDDE-QIRQOOSRSA-N	566.658	6.417	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2[N+](=O)[O-])cc1	409407362	ZMTCOFUTQDCMMF-VHFSBPNMSA-N	656.095	6.918	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@@]12C	503915762	AFNDTSIACJAGSO-BCROOKKGSA-N	551.768	9.808	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccccc1F	1529548885	OYZUTLDDJXVCDR-LNZKYNOCSA-N	685.572	5.061	50	40	KKGB	
CCN1C(=O)/C(=N\NC(=O)c2c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n23)c2ccccc21	2397243	DJQXJHVILGQFDZ-MJPNWULPSA-N	538.611	5.505	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	2864230	UBBBOGMRPNBJCU-KEBDBYFISA-N	537.313	5.723	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1	3145864	BMXHCRDMEZVBMN-RPPGKUMJSA-N	591.212	5.177	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1	3202408	VBJLIQQJGJVDHE-WYMPLXKRSA-N	504.178	5.113	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1C	6443501	VPORQMWSHANXPS-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@@H](c3c(ccc4ccccc34)N[C@H]2c2ccc(F)cc2)[C@H]1Cl	6475295	NCEGBIOURCENGN-HQEVBGHTSA-N	505.014	7.926	50	40	KKGB	
COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(Br)cc3)cs1)oc1ccccc12	9057819	DPKVDDQVMFIDRI-DTQAZKPQSA-N	502.393	7.457	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2Cl)cc1	12558406	JISLDUOFXQVZMS-LFIBNONCSA-N	502.379	5.348	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)c1O	13583060	NMVFNLYPJQEJMG-VULFUBBASA-N	500.024	5.060	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	13617827	SUNNKJMVAJGZJQ-ZXVVBBHZSA-N	500.584	5.092	50	40	KKGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1	28632449	AMPJRDZJNIVXOZ-YZJHEVQWSA-N	505.456	6.579	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1	59255074	LTAMANMRSCRGGA-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1	59856277	MGRGCXQMHOPCMP-BIZUNTBRSA-N	578.090	5.825	50	40	KKGB	
COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c3)c3ccccc3n2)cc1OC	97965767	YALPQLGMQBNPCY-YQOHXEDVSA-N	636.524	6.844	50	40	KKGB	
Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	97981068	ONINIONEHZUVCR-VWJSQJICSA-N	541.913	6.546	50	40	KKGB	
COc1cccc([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CCC3)c1OC	98006137	ODFPLEYWMDMWGQ-JOCHJYFZSA-N	599.660	6.171	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1	98006246	RGKNXOJBEHJYGU-NRFANRHFSA-N	584.605	6.062	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	100136766	AAVNTVUQKSSISX-ZCTHSVRISA-N	531.609	5.059	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	100391793	PWRWZXDHKYVXBI-WJDWOHSUSA-N	516.178	6.521	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(N(CC)CC)cc3O)nnc2-c2ccc(Cl)cc2)cc1	100851975	OYSUMAIAYIOLCA-FDAWAROLSA-N	579.126	5.781	50	40	KKGB	
c1ccc(C[C@H]2COC(c3cccc4c3[C@]3(CC4)CCc4cccc(P(c5ccccc5)c5ccccc5)c43)=N2)cc1	101386743	WDIPXXMCRPGMIB-XSEQESSCSA-N	563.681	7.011	50	40	KKGB	
C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527774	IYNXASCSZLGJOC-GSVOUGTGSA-N	588.039	7.209	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1Cl	103883614	XAAZUSCZIIIXRE-JCMHNJIXSA-N	566.883	5.946	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N/Nc2ccnc(N/N=C/c3ccc(N(CCCl)CCCl)cc3)n2)cc1	104385401	ASNHZFHNZPSPTK-CRDPYYQKSA-N	596.394	5.937	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCc1ccc(Br)cc1	105227054	WXPDILKTMJXWLN-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc(Br)c1OCc1ccc(Cl)cc1	105475531	RIHCUMKTAZSGJG-IPPBACCNSA-N	539.813	6.313	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccco1	112254496	WIAUGKDFJTYWIV-AUEPDCJTSA-N	557.036	5.910	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	150385551	GADLBYMANWIPBW-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccccc1	408539140	UDTUVZTWDKEMBK-RRAHZORUSA-N	562.622	6.576	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(N)=S)cc(I)c1OCc1cccc2ccccc12	408542530	JLIQLMWEMKOCPR-VCHYOVAHSA-N	514.388	5.615	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	408551719	FPHQMIBMQXTSLI-DEDYPNTBSA-N	558.490	8.083	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408552598	KEBGCNMOFZJEHT-GIJQJNRQSA-N	678.379	7.933	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408570752	YBZINGFIDUXOGQ-CCVNUDIWSA-N	622.404	6.798	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408673591	UAPWEZAYPGBSCV-FZDBZEDMSA-N	554.666	5.327	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1cccc(C)c1	408745573	SSKSCRMVNWEMIE-MTJSOVHGSA-N	538.385	6.041	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc2c(c1)OCO2	408746768	GUVVUSWCEJPCJD-ODLFYWEKSA-N	521.367	5.701	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Cl)c(Cl)c1	408763871	LACLBSMNJYGMQC-VVEOGCPPSA-N	607.129	8.015	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Br)cc1	408765230	ONYNHSMUKDPHIG-ATVHPVEESA-N	510.775	5.666	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(I)cc1	408772961	OGPUJAOPONVUNZ-YBEGLDIGSA-N	536.200	6.551	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1	408787925	HOWCYTLMUVXUJP-FYJGNVAPSA-N	583.866	6.803	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1cccc(F)c1	408791843	DHSMBKBQYGJCLT-KEBDBYFISA-N	556.375	6.180	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408792359	AYHWFOODQFIKCP-CAOOACKPSA-N	595.118	7.952	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408793105	DAUKUCDRSRAUCX-CIAFOILYSA-N	550.409	6.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(C)cc1	408793534	PJDXPQBGVLTDNE-RGVLZGJSSA-N	525.830	6.934	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	408794005	HAOLBGIXSWBWCP-FYJGNVAPSA-N	594.418	6.057	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(C(=O)O)cc1	408796258	OOXVYHIRVMKBGQ-YBFXNURJSA-N	555.812	6.324	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc2ccccc2c1	408796472	OWZAHUMKEXGLSC-SRZZPIQSSA-N	582.281	8.042	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408796573	PIBAIIUGPJBUKC-MFKUBSTISA-N	588.445	7.140	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccccc1Cl	408797876	UDBQGSAFOVAZKM-GIJQJNRQSA-N	665.656	6.546	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccccc1F	408815108	RNQHNYMBEZCDRQ-SXGWCWSVSA-N	703.087	6.922	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408839400	RPEFEXGNFUYHRX-YLYVUXRMSA-N	777.899	9.860	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408846136	QSYQORRKUMCKEA-HIWRWHBISA-N	701.780	7.908	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C4=NN(c5ccccc5)[C@H](N)[C@H]4C#N)c3C)sc3c2CCCC3)cc1	408847661	NWVYKBFLVZHNGV-JBAZILQCSA-N	599.764	6.803	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408848043	PCZBJLYJCIZSDY-MNBJERMJSA-N	607.448	5.763	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	408849222	ZEAPEZCPNKLKHG-VPUKRXIYSA-N	548.930	6.210	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408854129	YFPFLZWMXPQKSW-KOKCXWAISA-N	663.399	8.874	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408857918	NPIQVVTYFQYISH-KMUKQRDJSA-N	735.376	8.071	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1	408863160	KQPWYMWBIPBGHC-FJEPWZHXSA-N	576.889	6.561	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(OC)c1	408870286	UFVQFISZQGVAHU-FYJGNVAPSA-N	507.384	5.269	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408872404	MRUYIIOKXSUVGU-BCHBDCPOSA-N	523.214	5.893	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1Cc1ccccc1Cl	408876298	NRXVALRYSNSVFN-PCLIKHOPSA-N	648.928	8.059	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1Cc1ccccc1Br	408877302	ULBVPSAPLMOYSJ-WOJGMQOQSA-N	621.700	7.242	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408891010	JWVBEVLSQNGJRW-RPPGKUMJSA-N	508.199	5.864	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCc1cccc2ccccc12	408896176	PUVWRIUTHNQBFN-FYJGNVAPSA-N	513.937	6.535	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408904714	NLPSULOSHYDEHV-WKIKZPBSSA-N	583.351	5.753	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408923429	XRVCCUVCWHZYOU-KVAAJVFYSA-N	647.031	6.192	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408952109	VJZQACLUZYBMSY-MUUNZHRXSA-N	783.472	6.071	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)c(Cl)c1	408983011	JQIDETBOBIGSLM-FYJGNVAPSA-N	511.836	7.808	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1Cl	408992617	UKGXUYRGJLTQSG-ZDLGFXPLSA-N	560.673	7.298	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409006697	KERGFMNFNOSLGD-KPRPFPDJSA-N	665.791	5.209	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OC)c1OCc1ccc(Br)cc1	409016290	GLKOVVJDTSQLGG-KYHGBAKBSA-N	560.448	5.843	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cc2cc(Br)cc(I)c2o1	409016533	DEXIDQPPXYYVPV-XAZZYMPDSA-N	659.705	7.949	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1	409027197	BYBOILYRONFAGG-JJKYIXSRSA-N	505.684	5.667	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(I)cc1	409035072	ITAIZCKYWGUAAH-KMUKQRDJSA-N	661.927	7.901	50	40	KKGB	
CCOC(=O)COc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)cc1OC	409036178	AGQFFNGOADKXJW-OKCVXOCRSA-N	562.420	5.379	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1nc2ccccc2o1	409041070	ICFSOARKKRPDEF-LZYBPNLTSA-N	528.175	7.135	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409042905	LKRXCUHHJCTFIT-IPHFVPNQSA-N	572.621	6.890	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	409045725	HHGKVALUJMQALE-CXUHLZMHSA-N	532.361	5.523	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1C	409077808	ACUJEXSCBMFFMM-XODNFHPESA-N	639.275	5.654	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409085601	BZMGSNMRIPYFLG-MHWRWJLKSA-N	522.857	5.281	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c2ccccc2)cc1OC	409120958	UVMDGFGFKCCDKC-HNSNBQBZSA-N	624.115	5.290	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(I)cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409138877	JEFBYZMXXJNSJG-VWLOTQADSA-N	662.366	6.015	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl	409148567	QOQHSMZANMSXSS-RDYICOSNSA-N	517.478	6.910	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409186507	DACNFYRHAHNCEH-MOSHPQCFSA-N	540.255	6.899	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)c(Cl)c1	409216819	OPZIRMZVPBWOMX-OPEKNORGSA-N	511.272	6.406	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	409217402	UHJUAXXLOJCBCI-LUOAPIJWSA-N	586.708	6.826	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409226139	SZTDTTONFGHOIQ-NGUPNNDWSA-N	568.973	5.883	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)[C@@H](O)c1ccccc1	409264113	JXLITBKIFJAKKL-HTHFWCIQSA-N	552.650	5.628	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	409270884	ILOYDWIPQCIAAO-KMUKQRDJSA-N	602.087	6.416	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	409309841	NDZWFJVKAMUDPH-GXBUFBABSA-N	559.062	7.059	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OC	409322846	YHAZJSYTONPFQW-UHBFCERESA-N	606.432	5.969	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Br)cc1	409324783	VNYBCXQNGAIRFF-DICXZTSXSA-N	513.388	5.208	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1	409360198	DDVZHXRCVWEKPG-LSCVHKIXSA-N	545.760	6.325	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccccc1	409360966	GFQZPWKEHFIRAR-XKZIYDEJSA-N	613.236	7.692	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1	409368704	ITBVIYVZEGJYPR-QDTIIGTASA-N	615.333	5.114	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1	409371514	KIUXXECESGYGEU-KVSWJAHQSA-N	615.251	5.967	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1	409382247	ZLTLBGYQWICRJG-MOSHPQCFSA-N	534.410	5.638	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(c1ccccc1)c1ccccc1	409392002	MPZDMKWOMIOABF-OJYCWLPVSA-N	722.364	7.910	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1	409395670	QMNNVKDMBGZWBB-UHFFFAOYSA-N	710.220	8.414	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409396266	XJPNRTNEBRHHBM-UHFFFAOYSA-N	661.306	7.072	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396554	WNULMEXIYYJRSC-UHFFFAOYSA-N	597.458	7.395	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409400609	DTSMMDSUBHZYGT-OAZBTLTBSA-N	790.336	9.840	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)O	409404599	QIWSIDSITNWSOL-LPEPFOFCSA-N	689.357	6.417	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3ccc([N+](=O)[O-])cc3)o2)cc1	409405693	UQNUKZNVXFPVSU-OHUYPAJKSA-N	609.595	6.425	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC#N)c(Br)c3)o2)cc1	409406852	XRDZEPRCLLCXGO-UHBFCERESA-N	547.409	5.695	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(Cl)cc1Cl	409407509	ZZLYTGSTTXULBA-OAZBTLTBSA-N	790.336	9.840	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	1529546773	HMGLJNBMPWJIIF-AJXABOPQSA-N	761.449	5.584	50	40	KKGB	
N#Cc1ccc(-c2csc(N(NC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3)n2)cc1	708604	CNTMUMFEAOEABR-UHFFFAOYSA-N	503.381	5.436	50	40	KKGB	
CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)c1O	2252575	OTQUHAPEVUIXIU-RWPZCVJISA-N	522.030	5.243	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	8387232	ULXJHBQVTWSSHC-KMKOMSMNSA-N	531.056	7.412	50	40	KKGB	
N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc3ccccc3c2)cs1	8741095	XJXXWFHTAYWLPL-HKWRFOASSA-N	515.645	6.197	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(Br)c1OCc1ccccc1Cl	16688643	UCGQDBFBHAEPGZ-UVHMKAGCSA-N	502.796	5.426	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccco1	20150250	XYMOUMRKBCCYJR-NRFANRHFSA-N	503.502	5.095	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(/C)c3ccc(-c4ccccc4)cc3)cc2)cc1	34855882	AXQALEOTGYVDEE-OFWBYEQRSA-N	513.619	5.707	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)c2C)c1	58914937	QAOWWWCPYZDFAW-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(-c2ccccc2)cc1	59303556	HPBJWIUXYRCPPN-OCSSWDANSA-N	512.407	7.034	50	40	KKGB	
N#C/C(C(=O)NCCNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1	97966692	RMSPYVUZBJYRHN-RAAGYOTOSA-N	793.758	6.779	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	98048488	MDHWONJAQJJWTA-VWLOTQADSA-N	541.658	5.904	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(Br)cc3)=C(C#N)[C@@H]2c2ccccc2)cc1	98048557	CZXWHEYRSRFOMZ-NDEPHWFRSA-N	631.552	6.332	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100330251	POGJPDMBWPNGNB-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)CSc3nc4ccccc4s3)c2C)ccc1I	100952147	NWLBNOFWYPCABI-ROTLSHHCSA-N	560.486	5.859	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1	100974706	BSUDWGCFMSTZPT-NDZAJKAJSA-N	530.650	5.206	50	40	KKGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1	102620448	FNVQSDGLYPSDJF-XNTDXEJSSA-N	516.862	8.148	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102809962	ILRCBGIFQODZMT-AREMUKBSSA-N	525.590	5.301	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1cccc2ccccc12	104899370	ITDILMBYHDOCLF-BIZUNTBRSA-N	554.444	6.745	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1	104952900	ULVNPAJTZAKUEE-LICLKQGHSA-N	546.646	6.990	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2)c1	107471086	FZZRLCLMBMYSTN-IZUYBAIRSA-N	538.987	6.250	50	40	KKGB	
CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCCCC	150382818	KJUBEGIFERPZLX-UNNYSXPGSA-N	792.907	12.827	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	150387003	KUXQOBNIZZBSQP-YBFXNURJSA-N	620.228	6.329	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCCSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3)=C(C)N2)N1	150410278	COVXJXLYLRASJO-KKLWWLSJSA-N	700.846	7.709	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	150469918	WBQWTEOMVOXKMH-ZMGVVAQMSA-N	629.522	5.383	50	40	KKGB	
C[C@H](S[C@@H](C)C(=O)N/N=C/c1ccc(N(CCCl)CCCl)cc1)C(=O)N/N=C\c1ccc(N(CCCl)CCCl)cc1	150487169	KANYMTGRGORSOA-CFSBOWBUSA-N	662.515	5.365	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164701402	JTJQYQWJUQJKKY-UCQKPKSFSA-N	700.318	5.602	50	40	KKGB	
C[Si](C)(CCCNC(=O)Nc1ccc(Cl)c(Cl)c1)O[Si](C)(C)CCCNC(=O)Nc1ccc(Cl)c(Cl)c1	195835417	FEKCOCDBQLTSOW-UHFFFAOYSA-N	624.545	8.450	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552587	RBPJLAVVSUKPQW-NUJZUDFISA-N	626.278	5.707	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553327	VEIKEVCHPAPRFE-PPDIBHTLSA-N	506.773	5.437	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC	408579049	COZJTEKRSGKKGX-MHWRWJLKSA-N	512.185	6.305	50	40	KKGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408608341	PDPWTEPSXKJIQS-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408641680	KYVAFIUSYDFCNO-SEXKYXSUSA-N	631.148	5.464	50	40	KKGB	
O=C(COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)NNC(=O)c1ccc(Cl)cc1	408647505	UDZFDBFXPDMRPR-UHFFFAOYSA-N	528.779	5.480	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408674468	ZPBAJNZIQWEUBF-JXIQEMPDSA-N	654.355	5.533	50	40	KKGB	
O=C(N=c1[nH]nc(SSc2n[nH]c(=NC(=O)c3ccc(Br)cc3)s2)s1)c1ccc(Br)cc1	408717974	BLRSPGWHQBWPII-UHFFFAOYSA-N	630.394	5.062	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741887	LUOXCHBDHZPDTQ-GOJREDGKSA-N	542.038	8.489	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(I)c1OC	408742916	UCMXPEQSGKJYAW-KEIPNQJHSA-N	627.482	7.197	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408744896	IAGZVIWNJUZOIL-KQWNVCNZSA-N	560.879	7.635	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408745168	PQCHSFPTCSJQJI-GRSHGNNSSA-N	569.355	5.641	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408746735	GIHTXHSENKGDMS-KYHGBAKBSA-N	628.748	6.830	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCc1ccccc1	408747366	MWTUMURKJCQJGF-QRVIBDJDSA-N	531.837	7.058	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408751477	ZVBMYVBAHYTVCA-OJYCWLPVSA-N	555.461	7.112	50	40	KKGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408752180	GCWHIHLLHLHORX-WKULSOCRSA-N	545.462	6.300	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408758370	JFRRDERIJWJWAV-DHDCSXOGSA-N	637.262	5.442	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2)cc1	408760487	ZMHWLLBAHZGOLZ-JXAWBTAJSA-N	506.356	5.021	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1I	408762939	LXZPMOREJQQEMH-GDNBJRDFSA-N	654.236	5.275	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408764358	RFWCGRGUUPPXLW-GDNBJRDFSA-N	637.262	5.442	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408787399	ZIRPGIXGMXLAHL-XHQAUUCUSA-N	540.715	6.770	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1	408790786	YSBHGVRAUAFOSO-WOJGMQOQSA-N	516.222	7.189	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccccc1Cl	408793760	GEBMHFRUTIKCQX-CXUHLZMHSA-N	628.091	7.485	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(I)c2)c1	408794834	KEJYCMGPXQATBV-UDWIEESQSA-N	526.349	6.172	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408795675	MFPDDDWYBHDNSG-LZYBPNLTSA-N	594.192	6.631	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OC	408823267	NNGAVDKSHZFPSL-FYJGNVAPSA-N	568.411	6.132	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408831824	VNSWJGSMFWUREJ-ZXTCRCEHSA-N	767.757	6.978	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccccc1Cl	408836991	XMTRSBTXIPLOJL-UHBFCERESA-N	585.469	5.066	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1cccc2ccccc12	408837022	XVNOWWKUXYWRNW-JVWAILMASA-N	749.432	9.854	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408838274	DBTOUSANZRRAOM-WCMJOSRZSA-N	611.949	7.697	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)ccc1Br	408838899	JVNGTMLGZPRTBN-MHDJOFBISA-N	618.988	8.449	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCC#N	408839029	LUHHKQUHEGTHLL-FJEPWZHXSA-N	576.476	6.300	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839627	UVDKSZNDWSPLMI-AABVJFSESA-N	699.401	8.808	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840217	YJYIELICEWFHEB-ZSNJKBEMSA-N	589.120	8.703	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC#N	408842676	BVGCTUYYOCSLLJ-MZFJOGFUSA-N	557.448	6.280	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1F	408847545	NJFJHRBAXCABQU-QJOVZPHJSA-N	612.499	7.706	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408852767	WFKDRJKBQPOJLS-BCHBDCPOSA-N	699.093	6.814	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)cc1	408860305	YJFGONVYZNVLFZ-QCFMCPCVSA-N	593.705	6.163	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1Cc1cccc(F)c1	408868660	NIQMJZKTVSNBCD-CAOOACKPSA-N	595.239	7.272	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	408870862	XTBNSBDXLVJBGX-JJIBRWJFSA-N	522.526	8.136	50	40	KKGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1)S(=O)(=O)c1ccccc1	408873607	SYTSXQVXVUWPCQ-LQKURTRISA-N	528.417	5.842	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	408880597	IMZLGZHPQJSEDN-LDADJPATSA-N	556.394	5.288	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OS(=O)(=O)c1ccccc1	408895813	LZKYFEXEBDSTQP-SFQUDFHCSA-N	606.292	5.842	50	40	KKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)cc1	408898538	WPTGCKUKXVIUCE-FMFFXOCNSA-N	500.683	6.958	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)c(C)c1	408908286	RFKJAAWPABSLTG-OKCVXOCRSA-N	604.339	6.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OCc1ccccc1C	408926210	WDPXEAWVLMPUMD-BUVRLJJBSA-N	588.445	7.276	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	408952599	WHRZNGOFMHGDQA-HHHXNRCGSA-N	734.442	5.815	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(OC)c1	408955742	PCUBUYPUZVQLIP-KCBYWKQESA-N	664.546	5.725	50	40	KKGB	
COc1ccc(OC)c(COc2ccc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)cc2)c1	408979738	OHDBGGBLIMOXDL-PGHBFPSBSA-N	537.616	5.294	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(OCc2ccc(I)cc2)cc1	408993089	CFJZDNQPTHCUKX-MXAYSNPKSA-N	559.454	5.722	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409006034	LFDXWHIBSIWHHD-HVTXSOGHSA-N	604.402	6.504	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409017073	WFJATKKCGDOWHI-LPEPFOFCSA-N	558.849	6.702	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccc(C)cc1	409024509	ZTUQEELAAUFNJO-NUJZUDFISA-N	541.829	6.899	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)c1C	409058648	SJSAQILVULXCJX-VXLYETTFSA-N	558.245	7.092	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	409062550	WQHARCFUVXVYLQ-IPBVOBEMSA-N	579.720	6.295	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc2ccccc2c1	409081328	HCFPNKOCKKXVLZ-MWLSYYOVSA-N	595.393	6.094	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1	409083817	VTBCDEBNVIMBNH-MWLSYYOVSA-N	519.395	5.962	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409090228	LKNICYZTJMWSMD-OQLLNIDSSA-N	587.770	6.656	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(F)cc1	409123393	GTCVEENLIFYRJB-MHZLTWQESA-N	519.617	5.186	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2ccc3c(c2)COC3)c1	409124280	AZQGBKOWYMDTGT-UHFFFAOYSA-N	558.226	5.533	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc4ccccc34)c(Br)c2)C2=C1CC(C)(C)CC2=O	409124852	DBDYKQMBHUAUOE-GDLZYMKVSA-N	586.530	6.564	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	409136824	ZTIYTZNZAKYSCN-YNCTYVJUSA-N	547.902	6.629	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1	409137106	WJEFPIXXIQMSMH-NDZAJKAJSA-N	558.616	5.071	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12)c1cccc2ccccc12	409178153	KXDLFYUVYMDFRC-AVSYKEHUSA-N	565.604	5.946	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1	409217715	AHNCPDZUTOGKMH-KGENOOAVSA-N	534.012	6.009	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409221303	OEWYVVFMAQJCHP-FDVSRXAVSA-N	542.405	5.006	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409225767	OSBLAJGMGXQKGU-UHFFFAOYSA-N	655.383	6.612	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(I)cc1	409230936	AEBXKGZNJZYVRV-MFOYZWKCSA-N	657.224	7.206	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409236122	RDVGXAUXNYHLAA-JCMHNJIXSA-N	601.282	6.289	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1cccc(I)c1	409241929	SVINWTLESPAVPW-JCMHNJIXSA-N	509.391	5.355	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409262259	HEFJCMBAFLYZHU-CXUHLZMHSA-N	608.798	6.693	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409262780	KAPZXRIDPFGVNH-YBFXNURJSA-N	552.400	5.777	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)c1	409264330	DPTSBBRMUJRQHR-LICLKQGHSA-N	514.796	6.518	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	409318370	VAIAJIGDTKWPKP-NUJZUDFISA-N	530.408	5.491	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc5ccccc5c4)c(I)c3)[nH]c2c1	409372353	DGDYFHBVBUGHMI-QRVIBDJDSA-N	541.392	7.272	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409373999	WUDFNQQVKXWNKE-VTNSRFBWSA-N	590.474	6.099	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(F)cc1	409385369	JXSOPRHCYNRUHV-XODNFHPESA-N	619.412	6.295	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)cc1	409395887	SWCLFOFOSWSXOS-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409396251	XHPKRZZJTNNIIL-UHFFFAOYSA-N	667.343	7.905	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409397822	OKOZTKNOZIITSS-UHFFFAOYSA-N	642.506	6.996	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccccc1Cl	409400174	BVKOILYCNFTAHM-VHFSBPNMSA-N	709.968	7.876	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OC(C)(C)C)cc4)c3C)o2)cc1	409402014	IVZHLDITFIGRBZ-IDWIKUEFSA-N	578.713	7.615	50	40	KKGB	
CC[C@H](C)n1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409402256	JLKQAFZXHBGIPS-OWKXQNKPSA-N	508.622	6.956	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCI	1083806338	KEQTUCNTJFAYSP-UHFFFAOYSA-N	788.067	9.752	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1	1529547970	SXMWLFXDGOIIDK-UUTVKSQHSA-N	655.546	5.052	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/C=C/c1ccccc1[N+](=O)[O-]	2236312	WBZHUJWKKAWOHT-POGUPQBGSA-N	545.646	5.142	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(Br)c2)cn1	3113566	KYAZBRRURIAOSJ-KBKYJPHKSA-N	596.073	5.661	50	40	KKGB	
CCC(=C(c1ccc(OC(=O)CCl)cc1)c1ccc(OC(=O)CCl)cc1)c1c[nH]c2ccccc12	3146754	BCLYKKMCGPGKQS-UHFFFAOYSA-N	508.401	6.825	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl	8452610	BZAOWLJTFOHYCQ-MPRHAZATSA-N	662.246	5.890	50	40	KKGB	
CCCCOc1cccc(-c2cc(C(=O)N/N=C/[C@@H](C)Cc3ccc4c(c3)OCO4)c3ccccc3n2)c1	8454636	ZAUACERNGYLVEZ-JNIZBEHLSA-N	509.606	6.404	50	40	KKGB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	9933379	OZIYWBXSSCJYAY-QXPFVDMISA-N	500.558	6.792	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	14923824	RTAHZMDDKRIJOR-MQOOMQLBSA-N	514.925	5.429	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccco1	19946718	IEIRYQLGAJEYDF-AREMUKBSSA-N	514.607	5.303	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1cccc(Oc2ccccc2)c1	51075636	LSOPKGWPGIKGPE-MNBJERMJSA-N	527.049	6.773	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)c2C)cc1	58914999	CXNOBIHBGCDFNM-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CC(C)N1C(=O)/C(=N\NC(=O)CCCCCC(=O)N/N=C2/C(=O)N(C(C)C)c3ccc(Br)cc32)c2cc(Br)ccc21	97966654	PXABMROWZPLJSH-HGXYVDRPSA-N	688.421	5.013	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	98048614	VUOSWKFNIRZUPP-PMERELPUSA-N	615.542	8.019	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1I	100418922	HTSVXDUUWPPBAT-NTEUORMPSA-N	556.141	5.006	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc2ccccc2c1	100852543	XXMBQSVPFNTZAN-FMFFXOCNSA-N	552.725	6.420	50	40	KKGB	
CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	100852550	OHGLJJLTCOWKSN-FDAWAROLSA-N	560.701	5.192	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccc(Br)cc1	100852607	BVNIWBUPFXQNRU-QRQIAZFYSA-N	521.440	5.089	50	40	KKGB	
O=C(CBr)CCn1c2ccc(I)cc2c2cc(I)ccc21	101053014	ZWYLBXAXWSHMFT-UHFFFAOYSA-N	567.990	5.358	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)cc(Cl)c2)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	101273168	GYLCDASZTXWWJW-YTTGMZPUSA-N	630.166	7.033	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3F)=C(C)N2)cc1	102807235	YFNXRKKBQMUTDI-MUUNZHRXSA-N	544.652	6.468	50	40	KKGB	
C[C@@H](Cl)CN(Cc1ccc2c(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)ccc2c1O)C[C@@H](C)Cl	104049502	ITGSIOPQUIWWIU-BRSBDYLESA-N	524.360	6.364	50	40	KKGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)c(C)c1	104056165	KYPLNJHNTFTLOA-WJOKGBTCSA-N	563.723	7.832	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)cc1	136368703	CFJSBDONAFRTRE-UMSFTDKQSA-N	590.789	8.388	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342269	NQNZCIYTBKRZFR-UWTATZPHSA-N	842.037	10.293	50	40	KKGB	
Oc1c(Cl)cc(Cl)cc1C1N(Cc2ccc(N(CCCl)CCCl)cc2)CCCN1Cc1ccc(N(CCCl)CCCl)cc1	150373349	NIOAHKAGMYPEHE-UHFFFAOYSA-N	707.401	8.674	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OC(C)C)c(I)c2)c(C(=O)OCC)c1C	150594232	VHJVEIZJUXEHQE-LZYBPNLTSA-N	721.351	6.125	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2cccc(Br)c2)cc1	162502929	VPUHWXLKDGJUEO-KCSSXMTESA-N	626.960	6.336	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408537449	FHAIDJBAUFVODV-JEPNHJGPSA-N	670.073	9.481	50	40	KKGB	
CCCCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408538132	JPHZUECUUBGWOQ-RGEXLXHISA-N	500.393	6.642	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408542102	HBGCPIQQWRLEQT-IUXPMGMMSA-N	576.230	6.587	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408550093	BJBMLIWFODENNC-WOJGMQOQSA-N	588.875	7.007	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccccc1F	408551622	DUJXKXFLEUECHA-YBFXNURJSA-N	536.028	6.814	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1	408551895	GUKQYNHMUBZFGU-BVMLUPFRSA-N	585.285	6.619	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)O)c1ccc(Cl)cc1Cl	408581343	WGUMJOOPAQRRAT-XCVCLJGOSA-N	505.977	6.046	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl	408608560	HQHFFGCSEWTJMI-KVSWJAHQSA-N	549.252	6.041	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(I)cc1	408711691	GDKSLDHCVCVBJS-UVHMKAGCSA-N	660.677	6.291	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Cl)cc1	408724700	GVCBXYCTJZVYMS-ISIUFKJFSA-N	505.840	5.967	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408725178	IBWUPZYMFYGGNC-ODLFYWEKSA-N	522.355	5.799	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccccc1Cl	408725658	NEGFBDQQABGZMJ-UNOMPAQXSA-N	588.829	6.477	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(I)c2)cc1	408744818	NGZNHUQJBJPJRH-STZFKDTASA-N	538.385	6.123	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(C)c3)c(I)c2)c1	408745453	MKQJTGFYFAJBOM-JAIQZWGSSA-N	664.281	6.728	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)NCc1ccccc1	408746221	CNGKSTBAMWPRBP-GRSHGNNSSA-N	544.218	6.153	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCC	408754917	SOKCLBYRPRRJPX-ZROIWOOFSA-N	541.183	5.397	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408755903	NTQIUKCXEJWNPK-MFOYZWKCSA-N	587.224	6.253	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1Br	408762340	KEHRTSXOWMYCMO-SDQBBNPISA-N	590.009	5.287	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1	408773983	NPGJZPVRXGHOIR-NKFKGCMQSA-N	549.412	5.126	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408774605	PUTKSCPGLCVYPW-AMVVHIIESA-N	569.989	5.030	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1	408796997	QRDGEXJDALDRQI-UFWORHAWSA-N	679.683	6.854	50	40	KKGB	
C=CCn1c(C)c(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c2ccccc21	408814820	GNCUETCMPOSJPK-RZWSOBKFSA-N	533.632	5.605	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408828679	IPXRXQLCFGIXKQ-KKMKTNMSSA-N	538.225	5.873	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl	408828886	MZZDWWQVXSKOPQ-VQXBIQQPSA-N	578.246	6.236	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2cc(C)cc(C)c2)cc1	408831398	QKGPIWPVDMRUJV-UBJCUSJWSA-N	612.752	5.214	50	40	KKGB	
O=C(NNC(=O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1)c1ccccc1	408838539	FYBAOAVIARKMHK-UHFFFAOYSA-N	528.815	5.644	50	40	KKGB	
O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408842356	JGUYGVLMMUSARQ-AWNIVKPZSA-N	510.402	5.935	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Cl)c4)cc3)cs2)cc1	408847024	SGJJEBDMWYJHOD-ATZGPIRCSA-N	598.084	7.767	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2Cl)cc1	408865416	CEYMKMZDNKIWQR-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408865437	CKOWDDWBAJPCSI-IDWIKUEFSA-N	657.148	5.992	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(OCC)c2)cc1	408868073	NGNXCYFXCHWPJI-HZHRSRAPSA-N	533.422	6.161	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(Cl)cc2)cc1	408873464	UJXZTEKZHKWKQR-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408875479	FXIOPWRDLPFLOL-DPNNOFEESA-N	597.568	6.617	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1c(Cl)cccc1Cl	408880808	IQIIYJRRZVMKFW-MDWZMJQESA-N	578.162	6.910	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1F	408881499	NPMJGGHXOCGMDP-LZYBPNLTSA-N	516.312	6.174	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2Br)cc1	408888411	VFQXURQEXJWMTE-HIWRWHBISA-N	603.464	7.248	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2OC)cc1	408892179	BQIRBFVLDHWMPU-VIZOYTHASA-N	668.227	6.288	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Br)c2)c1	408896116	MYCJFXPAYCAIDT-XDHOZWIPSA-N	526.228	6.645	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408896876	UMFJPNYWAMQQQQ-ODNPBWNPSA-N	599.599	8.355	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1I	408903915	BECZSMIOVMIGEV-PPOKSSTKSA-N	611.483	7.579	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904516	KTHUFKJOVUGUDS-BCHBDCPOSA-N	546.736	6.239	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(OC)c(OCc3ccccc3)cc2Br)c(C)c1	408907564	NRVAZMBNCZGMLP-STBIYBPSSA-N	525.443	5.827	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)c(OC)c1	408947045	ACEONBTUNZMPFI-UIGQDENISA-N	791.437	5.670	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(F)cc1	408961438	CFXWWNBNOVUQRN-XKJRVUDJSA-N	572.296	5.801	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1cccc(C(F)(F)F)c1	408962945	LJADMAKATOMXIJ-WXMAUWIXSA-N	536.164	7.662	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408963820	AXYUPGSRGMLCIH-ROPCREHHSA-N	535.406	6.755	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccccc1	408966446	LSLYZMVSXNMFFP-AMVVHIIESA-N	564.358	5.648	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccccc1	408968751	YPYPJFFRQRPKOL-AMVVHIIESA-N	519.907	5.539	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1	408969822	VDRPFAROOAAHDK-PFFBDVMVSA-N	625.465	5.815	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408971845	QYDJCOXJHYSEIY-QYIMKIBZSA-N	612.598	6.939	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	408972567	VHXKSOZOOBQPBX-OOTAQNFPSA-N	506.474	5.739	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	408981935	FBPRHCXQKVECQL-MFOYZWKCSA-N	597.667	7.685	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408994168	GSXAXFNSFTVMOY-NVNXTCNLSA-N	645.562	8.305	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)c1	409001351	HXKKQNBGEXRQLV-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)ccc1OCC(=O)Nc1ccccc1Cl	409004141	WSJGFQPBMKDMAR-LSJKGLAVSA-N	747.011	5.011	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1)c1ccccc1	409004642	XWFPIHPYNPRSGH-KIZAIXKYSA-N	544.435	5.909	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1cc2cc(Br)cc(I)c2o1	409009657	BBLFTEGBYWWETJ-LUOAPIJWSA-N	602.148	6.373	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(I)cc1/C=N\NC(=O)COc1cccc2cccnc12	409023259	ZSSMIIGGKGLNHD-AQLQTECXSA-N	688.263	5.424	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	409023684	BUVVMSUMRLXPJB-RWPZCVJISA-N	573.414	5.507	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409027550	FMPHMXGCYKZZJH-HNSNBQBZSA-N	625.147	5.509	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028048	IXYHREXNFLHMIB-BMPDOFJVSA-N	557.628	5.003	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409040106	SNSVTKFQPLCYFS-VTNSRFBWSA-N	689.422	6.888	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccc2c(c1)OCO2	409040462	YADLQAUHDFAKPC-DLCNMLRHSA-N	610.464	6.745	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccccc1	409043977	AIHVZHXEJVEWIR-FYJGNVAPSA-N	548.437	6.028	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409045934	QCWFJGOTNKBBPW-ZSNJKBEMSA-N	572.665	8.189	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)c1	409067653	PBSRFXFKVXWGMF-VXLYETTFSA-N	570.237	6.343	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1	409079787	LTHMHMJDEOWBGL-NTUHNPAUSA-N	519.266	7.653	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1	409165236	VBVVDEUYNFZFAW-WCMJOSRZSA-N	595.494	5.133	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)COc2ccc(Cl)cc2Cl)nnc1-c1ccco1	409190092	WFCWZFRGKPSWRA-RPPGKUMJSA-N	561.407	5.453	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409219156	JRDNLPZQQYUUBW-NFXAYWSISA-N	579.525	5.138	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccccc2Cl)c1	409222891	DQHRCJFXYGVDMW-UHFFFAOYSA-N	724.620	8.407	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccc(Br)cc1	409223128	GPKOHXRNJDMNHY-UHFFFAOYSA-N	572.415	5.693	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409237351	TXDPXBZTDMZSCE-HMAPJEAMSA-N	539.857	6.346	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409260858	XPMBDJHBXNWGCQ-QDYAICPJSA-N	516.812	5.729	50	40	KKGB	
Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1	409270461	PVRZOFNTGSAENG-VFLNYLIXSA-N	527.408	5.025	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1	409303694	NZWCFTSRPZGOHS-LJQANCHMSA-N	514.445	5.039	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409304099	PYZRXHZHMCUWDU-FZPRHHONSA-N	722.839	7.374	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1OC	409313135	HPFJFYWRQXAZDO-PPDIBHTLSA-N	566.221	5.711	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OCC)c2)ccc1OCc1ccccc1	409318908	YLIQKXSRRUZPJR-GXBUFBABSA-N	542.607	6.545	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1Cl	409325530	ZSLKSLODJLYHLL-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2cc(Cl)cc(Cl)c2)cc1	409328288	RJNFDAPMSMRLFH-UHFFFAOYSA-N	559.519	5.265	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409369424	BPOKBKZPVRPWIQ-XDHOZWIPSA-N	552.381	5.846	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	409387127	UAWMBJWUORGYBW-DHRITJCHSA-N	557.369	5.757	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1ccccc1I	409391429	JHAQOBXHCGSQRW-RWPZCVJISA-N	522.390	5.414	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)cc1OCC	409395064	JKIYSAZOEGLTIZ-UHFFFAOYSA-N	719.430	8.449	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395682	QPKNFTLXGZBYFD-UHFFFAOYSA-N	788.629	10.322	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396519	VEMMRVUMNRGYQT-UHFFFAOYSA-N	620.464	7.671	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)cc(OC)c1OC	409396667	ZXFFJSXFAAJJSL-UHFFFAOYSA-N	574.593	5.715	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C#N)cccc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409398882	WBUKYDRMIIMSDZ-UHFFFAOYSA-N	637.048	6.286	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)o2)cc1	409404562	QGUPVTKGRXGEAE-ADJDCTSUSA-N	665.961	8.008	50	40	KKGB	
CC[C@H](C)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409405092	SBWFAWFHSRXSFC-TVFHRURHSA-N	530.581	6.116	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1	409406398	WPCAHLVKJBNUIX-KMUKQRDJSA-N	608.651	6.834	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CC(C)(C)C3)cc1OC	1064839	HSGWLTRQGUVUQN-HSZRJFAPSA-N	526.406	5.546	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	1245728	FFZKTNLNCVSIGU-RUZDIDTESA-N	563.477	6.057	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1OCc1ccccc1	1869125	XSCQOTVKFNMGJJ-HNSNBQBZSA-N	564.667	5.524	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1	4196370	DHHXXMFPEJUAJX-KCSSXMTESA-N	563.423	5.562	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OC)cc3)cc2)sc2c1CC[C@H](C)C2	6167181	CYPYSVIJHKYKHR-KTPSFDRQSA-N	563.676	5.228	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1COc1c(Br)cc(Br)cc1Br	8399422	GFWDPDOACDJLEF-MHZLTWQESA-N	759.249	7.775	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C45CC6CC(CC(C6)C4)C5)c32)ccc1OCc1ccc(Cl)c(Cl)c1	8442079	YLCHUTLETZNRFB-ORFJLSCNSA-N	577.512	6.990	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	20059553	UTMCHJWLSJGVIA-WPWMEQJKSA-N	520.438	5.128	50	40	KKGB	
Cc1cc(C(=O)/C(C#N)=C2\C(O)=Nc3c(Cl)cc(Cl)cc32)c(C)n1-c1cccc(C(F)(F)F)c1	33766242	NKMMEDFSCBBDBN-ZZEZOPTASA-N	504.295	7.181	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	59232918	WSFQMZFIPUKFDE-MOSHPQCFSA-N	511.405	6.915	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1	59432971	SXLRYCNZULTDHS-BUVRLJJBSA-N	511.419	7.344	50	40	KKGB	
O=C(N/N=C/c1ccc(O[C@@H](NC(=O)c2cccc3ccccc23)C(Cl)(Cl)Cl)cc1)c1ccncc1	97947054	UBXDGNWIRZTCDO-CCWCOGDNSA-N	541.822	5.504	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	97962907	BTQLKNLKBLQGIN-UVHMKAGCSA-N	586.291	5.995	50	40	KKGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1c(Br)cc(Br)c(O)c1Br	98001644	VOUHRTGWZDASGG-RREIPUBJSA-N	694.794	5.742	50	40	KKGB	
COc1cccc([C@H]2C(C#N)=C(N)N(c3nnc(SCc4ccc(C)cc4)s3)C3=C2C(=O)CC(C)(C)C3)c1OC	98006086	KCHNWJLOGFFJRD-DEOSSOPVSA-N	573.744	6.097	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl	100118923	RYWBUHVHMFAMES-JIDBWQTOSA-N	577.537	6.939	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1	100189524	OJORGIUYCIEHRL-PPOKSSTKSA-N	589.161	6.654	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(O)(c1ccccc1)c1ccccc1	100451127	QCIUNJZKTPHQLL-ACPRRRJJSA-N	547.658	7.198	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102809912	ZELSPEFAOLKABZ-SANMLTNESA-N	543.580	5.440	50	40	KKGB	
CC(=O)Oc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(COc4ccccc4-c4ccccc4)cc3)cc2)cc1	103041818	YUOMJNXVGQUDQB-UHFFFAOYSA-N	556.618	6.600	50	40	KKGB	
Cl[C@@H]1[C@@H]2C(=C3C4c5ccccc5C(c5ccccc54)[C@@H]3[C@H]1Cl)C1c3ccccc3C2c2ccccc21	103999332	ROMQYQPAGGVZCU-TYBDAJDFSA-N	503.472	8.326	50	40	KKGB	
CC[C@H](Cl)CO[P@](=O)(C[C@H](Cl)CC)O[C@@H](C)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161188	UPLZNVXNBIYZMG-QKMNGPIRSA-N	552.240	7.855	50	40	KKGB	
Cn1/c(=N/[P+](Cl)(/N=c2\sc3ccccc3n2C)/N=c2/sc3ccccc3n2C)sc2ccccc21	104246483	DSJJMBSVFYVACI-MAEHEDQVSA-N	556.102	6.365	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc(Br)cc1	109142847	DUWZNPFKYJTTNU-BRJLIKDPSA-N	567.075	6.317	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc2ccccc12	150367590	FROAZFLTSMHTJU-QMRORBIVSA-N	669.974	6.873	50	40	KKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl	408538738	PZTXKFQOTHLYPK-CAQPMQTCSA-N	567.542	8.584	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(C(=O)OCC)c1C	408546683	MPTWWZBVNDLASM-VXLYETTFSA-N	665.389	7.777	50	40	KKGB	
C=CCn1c(C)c(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)c2ccccc21	408547024	QMAICXBNYARBSI-XMHGGMMESA-N	504.608	5.578	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408550082	BHGKJBJUKPDEIA-AQLQTECXSA-N	567.300	7.424	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc(C#N)c1	408568613	VNZYRKBIQBWLJY-WSVATBPTSA-N	563.076	8.033	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc(Br)cc1	408578607	ACEYNYANOJDYDP-LFIBNONCSA-N	509.208	6.588	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1F	408578770	ASNYVLCGXNXMLJ-RQZCQDPDSA-N	521.213	7.937	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	408579202	DQCUEJBZRHRJEY-UDWIEESQSA-N	525.830	6.891	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408609605	KLKKYGKLMMDOIO-XODNFHPESA-N	520.800	5.713	50	40	KKGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl	408611928	SLMYSZJXQTWILT-KKMKTNMSSA-N	535.225	5.732	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(F)cc1	408649897	LSRGMXBAKHMHSA-YUEHCAIXSA-N	647.122	5.151	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(I)cc1	408677059	OVCYAOZIUMAYAF-MUFRIFMGSA-N	634.312	6.005	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408725666	MDMJXBKUSMEACW-UNOMPAQXSA-N	599.381	5.731	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)NCc1ccccc1	408747626	QOJPJFLPCJDZJH-UWVJOHFNSA-N	617.237	5.585	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)ccc1I	408748111	YLUKVMIGWMEDIO-KKMKTNMSSA-N	752.128	6.160	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Br)c1	408763286	MMYDQVVIVPRQDM-LSCVHKIXSA-N	710.107	6.655	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1Br	408764312	SXBDHLRVXZQZGI-LDADJPATSA-N	512.201	6.336	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408766576	VPSFFWCVMFRBRE-YVLHZVERSA-N	577.191	6.317	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408771390	GIYXZTCXPQFTAF-NHFJDJAPSA-N	528.472	5.110	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1	408787625	CUXOVNBHZGGIEK-CIAFOILYSA-N	641.418	5.899	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I	408789348	PBUCJFCAOFLWON-MDWZMJQESA-N	541.570	5.265	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1	408793697	GDPXXYMGBVZDKK-DEDYPNTBSA-N	631.264	6.355	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	408795391	KZUQWZMGMMOSEJ-QGMBQPNBSA-N	604.682	6.996	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c1C	408796413	OVFDTWJZQMNDJX-DJKKODMXSA-N	679.252	6.546	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408798735	WWRPVWLYPJPKDB-RGVLZGJSSA-N	573.860	7.347	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC(C)C)c(OCC)c2)cc1	408803763	ACTSNXJIBOHQNW-WOJGMQOQSA-N	548.377	5.199	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	408803864	UEURUZYKHIZBTP-DEDYPNTBSA-N	504.417	7.168	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)Nc1ccccc1Cl	408829282	OXYICSJOASKYBJ-PLRCZUKZSA-N	599.112	5.896	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1	408829623	MYLZPNMEVHALBE-KXVFHBAHSA-N	701.938	7.047	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408831365	QDDAKXKGQFKING-HNSNBQBZSA-N	649.567	5.429	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1	408831414	PKFDIFUGCYTHTB-LALXJTNGSA-N	769.729	6.636	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408837871	AIMBCGABNKJVGX-JOXMEQDKSA-N	667.618	9.755	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408842055	IFLCFMGROFQNLS-XZYGTATASA-N	632.069	6.000	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408843502	NKGYXRIVAFGIHE-XAZZYMPDSA-N	719.399	6.935	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(F)cc1	408854019	VRTIRJLZCAYKGJ-OKCVXOCRSA-N	521.386	6.483	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccccc1	408855158	CTHNQHSNMOSCTB-IMRQLAEWSA-N	505.618	6.140	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(Br)cc1OCc1ccccc1Cl	408859003	UZBRARXXSAOTGA-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccncc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408873794	XCJKXYGSQSOBDE-RAWMCFOBSA-N	556.187	5.345	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408882224	QMEQLMCMZOIHCU-KKMKTNMSSA-N	660.677	6.209	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1Cc1ccccc1Cl	408883418	UNBNEZKKUGAORW-WOJGMQOQSA-N	621.700	7.242	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	408887630	PVVYIGBHDSEBBY-BHGWPJFGSA-N	549.721	5.240	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccccc1Br	408889213	AVFHCLWIGRFBJD-WOJGMQOQSA-N	574.244	6.874	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	408891802	VQQZMKRQTFEFPR-DEDYPNTBSA-N	510.999	5.533	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408898709	MJYZXLMVLLNCDI-VIZOYTHASA-N	626.088	7.551	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408905087	SVVDTUBXWFSXOS-ZRGSRPPYSA-N	547.793	6.062	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1	408944744	JPUKZQBEHQEWHS-MUUNZHRXSA-N	671.559	5.186	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)c(OC)c1	408953539	LYQJZDMMXOSOLJ-HVJLQFNCSA-N	795.400	5.501	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(F)cc1	408956427	WSFGLFWNNPPXIT-XKZIYDEJSA-N	562.439	6.313	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	408972142	SQBIVYHBBZHUTD-UXHLAJHPSA-N	558.100	5.177	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccccc1F	408987620	FZZUFDHXFDMJRQ-UCQKPKSFSA-N	504.989	7.039	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5C)cc4s3)c([N+](=O)[O-])c2)c1	408989345	HKZROKUEWKVURO-HZHRSRAPSA-N	619.728	8.079	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	408997035	LAVSJBZVABCOMC-FABQOPTDSA-N	662.493	5.719	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409001613	WTSXNLLGZIVOAX-JBQSXSRFSA-N	760.886	8.101	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1OCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409029994	BICSHYMTZFKGAT-QNVXDBMFSA-N	731.215	8.919	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)c1nc2ccccc2o1	409046162	IXIWBPQUHKFRPF-CXUHLZMHSA-N	528.175	7.135	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	409046255	JPIYIKKMYMSPAD-GIJQJNRQSA-N	594.225	7.664	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)c1C	409056972	NZAFGJHKURUVGD-DJKKODMXSA-N	574.700	7.607	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C2=C1CC(C)(C)CC2=O	409136169	TZCDCTHIYKTNJG-DEOSSOPVSA-N	754.363	5.766	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	409148820	SFLBLIMBNJEWPM-RUMWWMSVSA-N	652.514	5.279	50	40	KKGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1)Nc1cccc(C(F)(F)F)c1	409153352	HUFHLJFTLSEAGS-PNQUVVCRSA-N	553.324	5.119	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc(Br)cc1	409154784	HLQSIWJTPLWGPB-ALQBTCKLSA-N	626.979	7.376	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc([N+](=O)[O-])cc2)c1	409223915	HOKSNHWYMNUPOU-UHFFFAOYSA-N	730.753	7.017	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc2ccccc2c1	409230483	YTYZBPFCAVCRBP-IPPBACCNSA-N	521.042	5.730	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)cc2I)c1	409247494	HTRYTWBYDAISDO-KBKYJPHKSA-N	672.330	5.432	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1C	409253347	FPZZVARNPPBXPD-AEUUOICLSA-N	654.590	7.714	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409262484	FISPHPYVHRFLBZ-QRVIBDJDSA-N	576.491	6.645	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409264446	KIZXRCRSQPXTCO-KFTQWTFOSA-N	516.812	5.729	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)cc1Cl	409264796	QJJSDZKYOXKFRQ-ODQASSKESA-N	665.002	8.604	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OCC	409317391	POGZUXOAOYVQIB-GXBUFBABSA-N	559.062	7.198	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)ccc1OCc1ccccc1	409325661	ZIQZCWLBTIMUHW-MZFJOGFUSA-N	523.589	5.364	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409365611	QXNPEEZQNIMUSV-MUXKCCDJSA-N	639.284	5.351	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccccc1F	409374469	QLWAYCWOAYAQFX-ODLFYWEKSA-N	506.375	6.815	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409380834	BBRJEGPYPZIAQI-FYJGNVAPSA-N	564.436	5.097	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(Cl)ccc3OC)[nH]c12	409394641	DDHBRVIQDCSVBJ-UHFFFAOYSA-N	630.926	7.805	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccccc1Cl	409395618	PWYCESWKGSUBNM-UHFFFAOYSA-N	755.077	9.957	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccccc1Cl	409395642	QDZHAINKHUYNTM-UHFFFAOYSA-N	590.836	7.373	50	40	KKGB	
C=CCOc1c(CC=C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409403928	ONRLFYPTOTVVHQ-ZXSNDDASSA-N	553.659	6.722	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(C)c2)c(OCC)c1	1529549424	YQORNZABBJQTBO-OGEPBOSOSA-N	651.185	5.511	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)n2-c2ccc(C)cc2)cc1	2276349	YJNPVEONXXNJLT-CCVNUDIWSA-N	510.450	6.100	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c([N+](=O)[O-])c1	3186585	BSCNJYOIWPUDHY-OPEKNORGSA-N	551.394	5.214	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc(COc2cccc3cccnc23)cc1	3238309	BBOANGGIISNHBF-FDALDRLYSA-N	563.617	7.177	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OCc1ccc(Cl)cc1	4083657	YMUGXKXXMVGXDI-MUFRIFMGSA-N	585.829	6.087	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	4083865	GDQFGBSOHCTLQO-ATZGPIRCSA-N	567.443	6.817	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Br)cc1	4196313	ZJKSKDZEGOQWOS-VCHYOVAHSA-N	517.192	7.002	50	40	KKGB	
Cc1cc(Cl)ccc1N[C@H](C)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1	8398706	WPJMQNDWTGLUGZ-MWQSPYHUSA-N	500.824	5.941	50	40	KKGB	
Cn1c(SCC(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)nnc1-c1ccccc1	8456066	GOGMBEDDAWJITP-DICXZTSXSA-N	536.455	5.066	50	40	KKGB	
O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	8684037	NYSQYOJWNURHOS-UHFFFAOYSA-N	560.528	6.198	50	40	KKGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1cc(C(F)(F)F)ccc1Cl	15231325	YIBWXYRXYZYSGO-UHFFFAOYSA-N	510.022	5.902	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccc(Cl)cc1	20347551	KDIRCBWPEXGTNH-XMMPIXPASA-N	508.043	5.754	50	40	KKGB	
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C	59249239	BWUDEDDUCBAKIS-QJOMJCCJSA-N	514.695	6.371	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	59856273	JYNXTAAIFBATED-BIZUNTBRSA-N	578.090	5.825	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(Br)c2)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	97961076	FDJVALSVLWLFGJ-QOOUENJXSA-N	560.279	5.743	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Br)ccc4n3)cc2)c1	97962732	CHLMHAXZDLJHFJ-ALQBTCKLSA-N	596.481	6.878	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	97965785	PQTPCAZNDKJYTB-WLVAGDTESA-N	658.924	6.251	50	40	KKGB	
O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1c(Br)cc(Br)c(O)c1Br	98001397	MWQVTQUXBJMTSH-LKNXVUQUSA-N	610.311	6.169	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1	100047191	XNHBLFHZWSOFKS-CQLRZOMNSA-N	595.099	6.327	50	40	KKGB	
COc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	100294284	LPIAZFGZJPXHID-ACXHZZMFSA-N	615.495	5.075	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)c1	100820292	PBXUZQLZGBJTIX-FXSPECFOSA-N	608.063	5.954	50	40	KKGB	
COc1ccc(Br)cc1/C=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1	100853121	UZWHGTHRHJBCAH-AFPJDJCSSA-N	543.921	5.497	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1	100984808	OYBXIVBAXLODAN-VECHRTTRSA-N	522.457	6.621	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)cc1	103883621	RISPPLNXDJJNLD-JCMHNJIXSA-N	566.883	5.946	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)ccc1I	103889036	KMBIIPYTKRRYOI-GZTJUZNOSA-N	550.227	6.860	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2	104882338	ZHGAKSJHXCUCBS-VXLYETTFSA-N	548.824	6.058	50	40	KKGB	
CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341378	QDCHVWHUMIKQMU-SECBINFHSA-N	772.215	10.821	50	40	KKGB	
CCCCC[C@@H](Br)[C@@H](Br)C[C@H](Br)[C@H](Br)CCCCCCCC(=O)c1ccc2ccccc2c1O	150365602	OMRVMXGALBOWHY-XPGKHFPBSA-N	726.226	10.483	50	40	KKGB	
C#Cc1c(C#N)ncn1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	195888096	RJVWHBXVWDAUNX-VEYUFSJPSA-N	592.018	7.436	50	40	KKGB	in-vitro
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	195962440	CXIGRSVIJKSIQL-NAVCKDPZSA-N	500.928	10.418	50	40	KKGB	in-vitro
COc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc1OCc1ccccc1	408539451	WIEZUIYFYIDXFN-PCLIKHOPSA-N	558.556	7.418	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)ccc1OCc1ccccc1	408540217	ORGCPVWLCLDOQQ-ZMGVVAQMSA-N	580.424	6.832	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1OCC	408540601	UIUMJZCLAPFUJB-COEJQBHMSA-N	525.487	7.504	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1C#N	408541045	DIQZKAUAKBFULS-JJFYIABZSA-N	503.352	6.061	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC	408582740	PSTNSEDREVDHEU-YBFXNURJSA-N	523.383	5.557	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408647290	UYWGBJKCSJFZSL-XFIWCOJDSA-N	570.300	6.306	50	40	KKGB	
CCCCCCCNC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)NCCCCCCC)cc2)cc1	408719812	FUJAVKXAHGTUKK-UHFFFAOYSA-N	568.951	6.628	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408723205	RAMGPRXJWOJOJF-KVSWJAHQSA-N	512.220	7.042	50	40	KKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccccc3C)c2-c2ccccc2)cc1	408733296	XEAFZGWQSIIFEL-VQNDASPWSA-N	513.597	6.670	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408743635	BPJLZWNFGXUYPS-NDENLUEZSA-N	596.706	8.143	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1	408745501	MYPVCKHAQVJCMC-ODLFYWEKSA-N	556.254	6.653	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408745798	VQKAWZSQFKVLTP-ZDLGFXPLSA-N	699.124	7.091	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)c1	408745861	POUSJESYQNBNMW-ZDLGFXPLSA-N	682.150	7.340	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(I)c2)cc1	408746623	UFBMZKQDUWPODV-PDGQHHTCSA-N	528.321	5.564	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)COc4ccc(Cl)cc4Cl)cc3[C@@H]3C=CC[C@@H]32)cc1	408751382	JXNYAMGUIWHDHU-APPLEPQBSA-N	536.459	6.748	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1	408760605	BOEBXNQATUOQFY-FMFFXOCNSA-N	561.619	5.226	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(I)cc1	408760954	BJRBJXBMYGQJMU-LGMDPLHJSA-N	557.775	5.508	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)Nc1cccc(Br)c1	408762361	AUFQKRFPWMENCM-XIEYBQDHSA-N	623.348	8.882	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1	408763382	NLNZZWFEDLGRHX-MHDJOFBISA-N	573.436	5.629	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(F)cc1	408788056	AMFAMSUAAFTRDO-ZROIWOOFSA-N	505.811	6.744	50	40	KKGB	
N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408788345	JQHWGLWAIWDTIP-XHLNEMQHSA-N	533.631	7.967	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1	408793645	FYVBAVKMCDACRC-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2I)cc1	408796673	PNRMUIQYQXNIDE-SRZZPIQSSA-N	601.282	7.104	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408797255	QPDOVECQTTVQGE-VCHYOVAHSA-N	743.133	6.570	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408799457	ZDZXQHISOAFFQH-KEBDBYFISA-N	621.302	7.738	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1c(C)ccc2ccccc12	408801171	RXZRWPBNZTUYRU-OEAKJJBVSA-N	541.445	7.352	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408803752	TUHRCQRCIXNFGP-KGENOOAVSA-N	576.288	7.798	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1	408820139	UEHUGODMAUMZKX-OJYCWLPVSA-N	690.379	8.163	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408824466	HSPGRUPDZFEELV-OEAKJJBVSA-N	574.420	7.605	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccccc1Cl	408839979	BYGDDYWWOYBMHW-HBHSWBPBSA-N	714.935	7.834	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408860571	YVXDVEJZZDLYRW-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408862815	MMSKGIQYPHDHKJ-FMFFXOCNSA-N	571.699	5.545	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1	408874268	ZQMVSYGTZYGBHH-YDZHTSKRSA-N	502.998	6.279	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c(C)c1	408906354	IPAUDZGJCZWIIN-MUFRIFMGSA-N	668.313	6.265	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OCc1ccc(C(=O)O)cc1	408906808	KQKRENUQTNJACI-FDVSRXAVSA-N	552.425	5.927	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F	408921849	CMMRLDIEHBEVEP-RQZCQDPDSA-N	574.790	6.673	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1Oc1ccc([N+](=O)[O-])cn1	408936211	FTYNERQMJCCANI-GATIEOLUSA-N	511.288	5.063	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1	408953810	YEVSSOSOUBQIJM-SSEXGKCCSA-N	671.603	5.856	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1cccc(C(F)(F)F)c1	408961814	FIHXTOJDWFBHIL-VPUKRXIYSA-N	776.072	6.862	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408963544	FHZBNEAYDUWFAG-OMMYVPJLSA-N	665.368	5.343	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	408964572	VHLQXWGHANRMJJ-ANGPDXOJSA-N	609.466	6.115	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408965841	IZFWNYVPWDSBOC-VWJSQJICSA-N	526.395	6.474	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCc1ccc(C)cc1	408971661	LEGZIVCKTHKTDN-WKULSOCRSA-N	537.410	6.254	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc2ccccc2c1	408990926	PAIYYJJFTRDOQL-QRQIAZFYSA-N	537.059	8.054	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)cc2)c1	408997137	ROMJNSNNBMIPHX-STZFKDTASA-N	508.359	6.033	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(O)ccc2ccccc12	409015148	OABNMYRHILTABR-CDBHFZMPSA-N	516.425	5.301	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409019875	ZZZGTJJGHRJMIQ-DLCNMLRHSA-N	564.469	6.777	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409044885	DYVITOMUBZIUAL-WOJGMQOQSA-N	508.328	5.448	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409073585	QLHOQEVJSLSYNT-XDHOZWIPSA-N	636.895	6.274	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409076541	BHLRYTCSMIKPON-ZDLGFXPLSA-N	623.274	7.130	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1	409081212	KBHOZAQSVFDXDA-OVCLIPMQSA-N	513.293	6.456	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409087397	UBBQWPYMXBOESK-LDADJPATSA-N	557.912	7.342	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409109999	PERLHLYCEZGCDB-FABQOPTDSA-N	639.561	5.973	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccccc1	409127234	PGSBHZHSQPQUQL-HNSNBQBZSA-N	636.568	6.075	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409172500	JMPMJQLBAXYHGB-VWJSQJICSA-N	615.912	5.019	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409193315	ISSPTLASWDLDON-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc(OC)c1OC	409223952	HWLHDZQUMPLZCH-UHFFFAOYSA-N	567.598	5.256	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409240808	PYMWTVQOYPQIQG-HSGPEQJXSA-N	515.824	7.019	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)n1	409246461	IUAMJYHPHIQMAY-NSKAYECMSA-N	676.293	5.263	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(I)cc1	409246733	ASOQESWSYJFABX-MIDMBNTASA-N	552.412	6.053	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1	409248246	CZSRTOZKAOTWJX-WQRHYEAKSA-N	554.828	5.983	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)c1	409250392	KVDRUYOJZOSXQV-RGVLZGJSSA-N	508.405	6.482	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409250444	LUMCBVDMLXTHSM-XODNFHPESA-N	511.365	5.986	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409260347	PCMCZZOMZQDHKN-CIAFOILYSA-N	548.437	5.946	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1C	409261664	COYYPWGXJGVLCD-XDHOZWIPSA-N	538.829	6.283	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1	409261747	DFLVSFASLWERSZ-MHWRWJLKSA-N	573.216	5.914	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1	409263647	NKAPZHRTBDVTRF-NVMNQCDNSA-N	528.823	6.827	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409323951	QILCMOHAOKDBIV-LQNQUEJISA-N	540.016	5.318	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409325191	XNYKDSKTHXAQRM-ACXHZZMFSA-N	663.896	5.698	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)ccc1OCc1ccccc1	409325749	AOKNCHXRVPFYLC-KYHGBAKBSA-N	599.492	6.421	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)=C(C#N)[C@@H]1c1cccc(Br)c1	409331005	CBLNAPPKQVLJJY-RBUKOAKNSA-N	647.267	5.340	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1	409337051	WCSQXQXWPQGRTJ-QMRORBIVSA-N	658.427	7.910	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1ccc(C)cc1	409372057	DYPCCGXRDOBIAS-KBVAKVRCSA-N	547.449	6.661	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409378646	QVPNLRUYCHNRFX-UNOMPAQXSA-N	551.958	5.228	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)n1	409381237	DVLPIXJWSDUNMF-CAOOACKPSA-N	643.650	6.189	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)c1	409394592	CNBNZXWPJSMUBX-UHFFFAOYSA-N	629.942	7.608	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396241	HVYUOSCXNDNBOQ-UHFFFAOYSA-N	651.672	6.168	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1	409397321	IQQQXKRAGMYITN-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409405717	UWGPDKFVJZJBIY-WJPQHPDVSA-N	573.646	5.759	50	40	KKGB	
CCOC(=O)/C(C#N)=C\c1ccc(NP(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)cc1	585139713	YOZBKOHEDWOGML-ISBRXMFISA-N	537.383	8.321	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	1529548043	WHRZNGOFMHGDQA-XINRNAFCSA-N	734.442	5.815	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	1022987	MVYBBMPCHPAWFS-DEOSSOPVSA-N	545.661	5.473	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@H]1c1ccc(C)o1	1102427	MQZCACUGPKXAMN-NDEPHWFRSA-N	542.661	5.920	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(F)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1857637	NDPFBLYOOPYFJI-OCSSWDANSA-N	517.630	5.622	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(SCC(=O)N/N=C/c2ccccc2F)n1-c1ccccc1	2738728	JDNHKOLPQMWEKS-IPPBACCNSA-N	509.010	5.223	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	3036093	CUHHBQMYSIOIIL-OGLMXYFKSA-N	512.478	5.491	50	40	KKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2)c1	3087015	IDTZYGQRCVSWEU-IPPBACCNSA-N	588.296	6.392	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1ccccc1I	3103015	NZNZNIYZSNXFME-OIDVGNHBSA-N	586.429	5.967	50	40	KKGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COc2ccc(Br)cc2Cl)c1	8454620	ULQPCKAIRVAPKA-JOCHJYFZSA-N	533.806	5.335	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2c(C)cccc2C)=C(C)N1	20347586	WLICSHPQZZHSCW-MHZLTWQESA-N	526.662	6.165	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)NC(C)=C1C(=O)OC	20348645	ATCJTJAWOFEVEL-XMMPIXPASA-N	512.031	5.288	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1cccc(C)c1	33347759	AEZPWELMVVEUDC-YKQZZPSBSA-N	501.583	5.361	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cccc(Cl)c2)cc1	59856003	NWNIMOVAVPWDIS-FDAWAROLSA-N	593.061	5.481	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1	97960717	UTZKTDPWYMZRMZ-XYGWBWBKSA-N	618.471	7.366	50	40	KKGB	
COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2Cl)nc1-c1ccc(OC)c(OC)c1	97965630	BIGHLIPRUKQFGM-CIAFOILYSA-N	605.116	6.786	50	40	KKGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(OC[C@H]2CCCO2)cc1	97981073	MXHWTHMFNSGFLD-AASFFQPYSA-N	526.511	5.487	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999378	CEUSPOMKNKZYSL-MHZLTWQESA-N	588.711	5.528	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c1Br	98001399	RBIFFSLJPOFMEQ-VWJSQJICSA-N	611.378	7.484	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)c2C)c1	100130098	CCLSWYXROJEAJB-QXPFVDMISA-N	542.705	5.095	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OCc1ccc(Cl)cc1	100135497	XTKNIZWHUORTHV-LICLKQGHSA-N	521.322	7.145	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100240058	RFXIPUYTGHNHEE-BIZUNTBRSA-N	623.573	5.909	50	40	KKGB	
Cc1c(OC(=O)CCl)ccc([C@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(OC(=O)CCl)c(C)c2O3)c1O	100304850	BMWONWJISOEWFP-AYWVHJORSA-N	561.502	6.977	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2ccccc2Cl)s1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1	100991373	BBZZSXUASGLXFW-NNHPPCHPSA-N	591.545	7.106	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)sc(C(=O)OC)c1C	101069496	BICVFLJYNLXXRY-QNGOZBTKSA-N	535.691	7.168	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1	101178594	VSESMOASXMDVGC-FYAMCCBRSA-N	611.359	5.997	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	101733215	JAYWBCJGFPFNBH-GORZKMDOSA-N	532.553	5.855	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(Cl)c3C)=C(C#N)[C@H]2c2ccco2)cc1	102808143	WIUSZGLPYRKQHB-MHZLTWQESA-N	563.079	6.347	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	102808973	WJEAWBOZGORXJU-NDEPHWFRSA-N	540.689	6.528	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102810100	ZXIBLVMWWXUCSK-SANMLTNESA-N	594.480	6.608	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1	102933827	WUOFVBCLVQRJHF-RGEXLXHISA-N	542.345	6.275	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	103883145	QBGLQQLLVVREKM-STZFKDTASA-N	618.302	6.433	50	40	KKGB	
C/C(=N/NC(=O)c1ccccc1O)c1ccc(/C(C)=N/NC(=O)c2ccccc2O)c2nc3cc(C)c(C)cc3nc12	104285901	MTNKZUCOJMPPED-HVCCMGDBSA-N	560.614	5.119	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc(Br)cc1	104402276	OKZIWYLBNJNOTM-MZJWZYIUSA-N	525.244	6.287	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	104581156	XYNZJYWSMHVRMH-OCSSWDANSA-N	542.935	5.484	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	105436758	LMRQDTUEGGHBMS-ZXVVBBHZSA-N	528.472	5.308	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(Cl)cc1	112258580	WPHINDSARHEFDH-VCHYOVAHSA-N	582.907	7.048	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164735964	QQKIQNSFOXCSQB-CHHVJCJISA-N	673.088	7.393	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Br)cc1	164744523	WJCWEJFCJIUTHP-YVLHZVERSA-N	625.144	8.042	50	40	KKGB	
CC(C)c1cc(C(C)C)c(-c2cc3ccccc3c3c2OP(O)(=S)Oc2c(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc4ccccc4c2-3)c(C(C)C)c1	169807559	KBJAESAFUNDRHJ-UHFFFAOYSA-N	769.044	15.722	50	40	KKGB	
CC(C)C(C)(C)[Si](C)(C)O[C@H](C)[C@H]1C(=O)N([Si](C)(C)C(C)(C)C(C)C)[C@@H]1OC(=O)c1ccccc1	195795984	QLJVMOZIMIABRD-NMVJMZGASA-N	519.875	7.316	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)cc1	408526260	BGWUYPPORAEVSB-JJKQSNDFSA-N	584.820	6.661	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408540793	BUDUDYWLJKOPJZ-MTJSOVHGSA-N	535.394	5.936	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408544359	VPGAXLXGVZFAQZ-FADJLKOXSA-N	564.686	6.072	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1	408583838	XIEUXQPYTIEZAL-LDADJPATSA-N	500.370	5.298	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)Sc1nc2ccccc2[nH]1	408599284	RTXMMOFOHUTRTP-RQZCQDPDSA-N	620.164	8.086	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1	408638001	PIYDTGLURPBZJN-ZOYWYXQUSA-N	630.568	8.235	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccccc1C#N	408734135	DKLMBAAONZCEKJ-AWQFTUOYSA-N	536.813	6.416	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408740377	BLGLFIWFHUPCAR-JRZNSJKLSA-N	779.547	8.797	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1	408744782	MXICXVIKKNPXQW-IWIPYMOSSA-N	574.418	6.968	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2Br)cc1	408752078	FTKPWIHSUCUUTI-ODLFYWEKSA-N	526.228	6.645	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408786327	PMSOUUMPTPWRGT-RZNTYIFUSA-N	594.074	6.371	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccccc1Cl	408793758	GDUOKWQDRFOUGL-GIJQJNRQSA-N	571.656	6.861	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1F	408793914	HHNZGPGDLNCXCL-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408799306	YVGNFJPZZXBLQG-LZYBPNLTSA-N	546.190	6.181	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(I)c1OCc1ccc(Br)cc1	408800670	OJUJMUKETINPOT-YBFXNURJSA-N	651.726	7.539	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cc2ccccc2o1	408809460	GWWOTOJBFQEYSX-MNDYBZJGSA-N	672.260	7.138	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408826685	KMKMMFAJDLPHGJ-LQKURTRISA-N	611.536	8.087	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1cccc(C)c1	408837900	AOOWQUQHBPEKAN-XJECJHNESA-N	709.009	8.472	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(C)C)cc2)cc1	408840547	GSHZFPUSVVDTCF-QNKGDIEWSA-N	571.699	5.889	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2cccc(Cl)c2)cc1	408844500	TYNQVBIXELFRMF-FJEPWZHXSA-N	576.889	6.561	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc(C)c5)c(Cl)c4)cc3)cs2)cc1	408847627	TWBWYYVVKOVPOB-FABQOPTDSA-N	567.114	8.167	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408856747	QXSKKZHCMRFLFM-QJOVZPHJSA-N	685.518	7.107	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408860373	UGXSDSVGNURUEG-ALQBTCKLSA-N	650.595	6.308	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	408864987	AZWBLUSJPBNTOY-RIYZIHGNSA-N	530.284	5.653	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3Br)c(OC)c2)cc1	408865491	COOGIZQUIITOGL-UDWIEESQSA-N	554.282	6.919	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1Cc1ccccc1Br	408866787	IXHFUEXAKYFKFD-RQZCQDPDSA-N	618.225	6.107	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc2Cl)cc1	408871977	IPXWJGPSOYTWDA-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(I)c1OC(=O)c1ccc(OC)cc1	408878434	BFNIDXMXBZRLQY-CCVNUDIWSA-N	608.816	5.100	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cc(C)cc(C)c1	408878925	DCHTWLOVVLHLRG-KEBDBYFISA-N	529.851	7.787	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OC(=O)c2cccc3ccccc23)c(OC)c1	408885974	CDHAYUKNSXWJPN-OKCVXOCRSA-N	547.405	5.911	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1I	408888453	ZYHRGRINEQDWIO-NTUHNPAUSA-N	592.602	5.802	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c(Br)c1	408892236	YDDGCHVPMRCIOB-XNTDXEJSSA-N	530.172	6.024	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OCc1ccccc1	408893644	HIPVLQHLWMDPPK-VXLYETTFSA-N	569.355	5.641	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(F)cc1	408899539	QDLWVOXHDDJCDI-RQZCQDPDSA-N	530.339	6.564	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OCc1ccccc1	408901018	ZHTUPOIGRKQPGF-RQZCQDPDSA-N	589.773	5.986	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408909324	GJYWALHTJVVMPQ-XODNFHPESA-N	596.703	6.372	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922847	GUWJDBJZYFFBFG-WOJGMQOQSA-N	574.442	5.582	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)Nc1ccccc1	408946740	PPBRFEHMKBMFSY-NUJZUDFISA-N	615.278	6.138	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(F)c1	408961784	FAUCACCGBKJPGW-VVEOGCPPSA-N	539.323	6.349	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc2ccccc12	408970755	DESYMVOYEFRVSJ-YYBDTWRHSA-N	534.443	5.792	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccccc1	408991124	MVYWWEQLKOSBHP-BJRSOBTISA-N	549.634	5.683	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408996300	HHECJDOZSIVGFT-FABQOPTDSA-N	590.463	6.936	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)cc1	409003534	SNHXJDOXNBYNBN-FMFFXOCNSA-N	551.599	5.638	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)cc1	409006031	LEQVMDPYJYZZDZ-GPPYRFLMSA-N	504.542	5.597	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1ccccc1F	409023747	OJZPOFRFYBGTLO-CPDSRJINSA-N	538.373	5.253	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409030894	IJKHUUUHNPRBRT-WOJGMQOQSA-N	574.420	5.939	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccccc1Cl	409038232	VACJHVOYIBJTLF-MWBNBJEGSA-N	709.009	8.553	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)cc1	409041460	JLSQQJAFMVLVEE-CAOOACKPSA-N	595.118	7.952	50	40	KKGB	
CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409047491	UNSNSQDALBTSTK-MUFRIFMGSA-N	532.394	5.370	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409056607	HMDOMNVNNMNLIW-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409085991	XUFNDAQXWKCHAV-XDHOZWIPSA-N	548.939	6.622	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccccc2)c(Br)cc1OCc1cccc2ccccc12	409089833	KJYTZQRYCXHJAW-NTFVMDSBSA-N	504.384	6.346	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccccc1F	409099308	QAANCNZZVQAXBW-QHCPKHFHSA-N	525.330	5.123	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2cccc(Cl)c2)cc1	409120192	SHXKKZWGTKMFHV-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCc1cccc2ccccc12	409149317	BJXIXPXQTAXLLO-OKCVXOCRSA-N	584.841	6.378	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)cc1	409158608	PACMPSFQGZBYQF-XAZZYMPDSA-N	699.329	5.502	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1	409171101	ZBCHBCVJIKTKRM-OCSSWDANSA-N	572.887	6.339	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409183940	GLLSXRHHVUSFPC-ATZGPIRCSA-N	660.949	6.175	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(I)cc4)c(OCC)c3)cc2c1	409187444	QKUBLVTVWNEGJQ-MNDYBZJGSA-N	663.306	6.940	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccccc3)cc2)c1	409219360	LUTLAXRMEBTHOO-XXLWZSDDSA-N	548.555	5.538	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccco1	409228010	ZEVUVDIILGBANI-UHFFFAOYSA-N	517.925	5.177	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc2ccccc12	409232308	PZQKDCXFQLLBAE-XKZIYDEJSA-N	595.415	8.144	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409243812	URGNZMLQIYNABK-SLCIXIPPSA-N	582.394	5.361	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	409254618	XWHRCTRQFBQPBL-FZKWRIDDSA-N	572.061	6.408	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409270066	BTWIKNCEFGLIJP-NVJOKUIPSA-N	520.800	5.745	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1OCC	409325675	ZNCCXAIITOZDNL-MWLSYYOVSA-N	501.410	6.524	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)cc1	409395499	OIHSVQZLABWSGL-UHFFFAOYSA-N	604.863	7.681	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)cc1	409395878	STAIQZBDNGPDQO-UHFFFAOYSA-N	661.350	7.660	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398088	QJRAUXZQTWPPPP-UHFFFAOYSA-N	675.783	9.484	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccccc4F)c(I)c3)o2)cc1	409401104	GKONOCILNBSZHS-VHFSBPNMSA-N	706.512	6.791	50	40	KKGB	
CCOC(=O)COc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	409405006	RSJPDLILVDWFFW-UHFFFAOYSA-N	624.488	5.743	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccccc1F	1529548717	MPFTXGWSHFCJBJ-YLDRGEGNSA-N	660.768	5.417	50	40	KKGB	
COc1cc([C@@H](N[S@](=O)C(C)(C)C)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c(P(c2ccccc2)c2ccccc2)cc1OC	1857795144	OQAYJVXDXWZFGS-OBVMIHPSSA-N	673.900	8.207	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)NCCCn1ccnc1	1899687	IEIBZAOVSMEPMY-NLRVBDNBSA-N	563.061	6.082	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1)C(O)(c1ccccc1)c1ccccc1	2100663	WZOGQYSIXAYQFX-ALQBTCKLSA-N	555.465	6.291	50	40	KKGB	
COc1cccc(COc2ccccc2/C=N/NC(=O)COc2ccc3ccccc3c2Br)c1	2165981	XEKDSXQLAHEZJP-MUFRIFMGSA-N	519.395	5.719	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(Oc3ccc(C(C)(C)C)cc3)nc12	2398748	RVAMVGFNVNDXDY-FCDQGJHFSA-N	506.606	5.359	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(C(F)(F)F)cc1	2709881	DFYLGZFBJPIWED-VFLNYLIXSA-N	561.387	5.353	50	40	KKGB	
COc1cc([C@]2(O)CS/C(=C(C#N)\C(O)=N\c3ccc(Cl)cc3)N2c2ccccc2)cc(OC)c1OC	3243431	JSDRROIIUKUVTG-JYBZDAIYSA-N	538.025	5.788	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1	8396529	QTRSCGRAIGSGSD-PATXOLLKSA-N	676.040	7.505	50	40	KKGB	
N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2ccccc2Cl)[C@H]1c1ccccc1Cl	20528808	GLDDDOXZJFHTAG-RJRUJURLSA-N	500.429	6.655	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3OC)=C(C)N2)c1	97950400	MYYCJNANFUKZPV-SANMLTNESA-N	530.606	5.003	50	40	KKGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1OC	97962946	BMIJUJZZKFKXRN-IDPCLHLCSA-N	564.425	6.192	50	40	KKGB	
CCOc1ccc([C@H](C)N(NC(=O)C(O)(c2ccc(OCC)cc2)c2ccc(OCC)cc2)C(=O)c2ccccc2)cc1	98003627	UBIDISCVOFAAPE-VWLOTQADSA-N	582.697	6.053	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc2F)cc1	100124058	YNWXWKPUPXVOMH-KBVAKVRCSA-N	597.510	5.650	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125401	GYDQWRDFUFCENX-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	100128445	PHXIDPSTLVDOAH-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2cc(C)cc(C)c2)cc1OC	100303888	JZHQXPHNKSMJHE-ALQBTCKLSA-N	602.757	5.691	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(C)cc2)cc1	100380197	PRSKNFPSRRGWRU-FDAWAROLSA-N	625.614	6.233	50	40	KKGB	
COC(=O)CS/C=C(\NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102579645	SJNYDFUMLPVICH-XAYXJRQQSA-O	512.591	5.116	50	40	KKGB	
Cn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1	103254681	YIPVFNVWNPKVBK-CPDSRJINSA-N	599.942	5.665	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	105509578	XZPUSPHMJLKZNQ-KKMKTNMSSA-N	569.226	6.258	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1	107997173	FVRCEYFCCYJLIU-OCSSWDANSA-N	504.428	5.890	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)SCCS1	109157436	PAWAFGIXHPIUPA-FSJBWODESA-N	544.334	5.827	50	40	KKGB	
ClC[C@@H]1COc2cc(Br)c(Br)cc2OC[C@@H](CCl)S[C@@H](CCl)COc2cc(Br)c(Br)cc2OC[C@@H](CCl)S1	150355311	XBMCKLVQXOBVAV-FPCVCCKLSA-N	902.014	9.862	50	40	KKGB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	150412407	MWLSNAGOXUCKST-UVNQRVDSSA-N	652.128	8.914	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCC[C@H](I)CC(F)(F)F	169795350	DJDAQVQYYWWBJI-QWRGUYRKSA-N	544.099	7.229	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1	196415090	UUDCWSXAJQLTRG-UHFFFAOYSA-N	525.482	8.297	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1	216066391	CWJLITIUKDNOAG-MUFRIFMGSA-N	545.861	6.633	50	40	KKGB	
C[C@H](C(=O)OC[C@@](CO)(CBr)COC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1)c1ccc(-c2ccccc2)c(F)c1	253618241	SOWSPOXXVYKTPD-FYUCLYJASA-N	651.544	7.666	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccccc3)cc2Br)ccc1OCc1ccccc1	408540518	SUGPCRKXFYTDAZ-OHUYPAJKSA-N	638.356	7.532	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408653922	QCNODTGJFTTWBY-ULAMTYHHSA-N	533.839	5.262	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2-c2ccc(-c3ccccc3)cc2)c1	408724147	GKYKLCDCVKIWRG-AJBULDERSA-N	501.546	6.187	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I	408746315	YIHLKRVZHAFTRG-JYRVWZFOSA-N	635.037	5.769	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)ccc1I	408746737	GJDSJEUGWLPZHG-LUOAPIJWSA-N	662.091	6.307	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)ccc1I	408748100	YJFULZAYOXVLNN-LUOAPIJWSA-N	735.110	5.708	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1	408765840	YHXXIYXCOZAGFZ-OQLLNIDSSA-N	562.785	5.324	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1	408772210	CPICYSZGDORQHM-LQKURTRISA-N	536.417	5.870	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)c(C)c1	408777549	BUXLAKRLXRCIBF-ONUIUJJFSA-N	554.488	7.598	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(F)cc1	408793533	FGRWQSJSMMPZNS-BUVRLJJBSA-N	587.445	7.300	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(I)c2)cc1	408796719	PRIFVARRXPEHJQ-XDHOZWIPSA-N	512.322	5.863	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408800964	QMMOOAXKYGZCAW-FYJGNVAPSA-N	561.863	7.697	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	408801458	ATQHHSOWFHVDLG-FYJGNVAPSA-N	531.837	7.689	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc2c(c1)OCO2	408808280	FIHOGLUMHBBICM-QFEZKATASA-N	526.589	5.353	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)c3ccc(C)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408829671	NAHORCROUMUPOC-OCSSWDANSA-N	536.053	5.705	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC	408835117	WFJJHFNVCVSCSS-KGENOOAVSA-N	614.867	7.033	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C4=NN(c5ccccc5)[C@@H](N)[C@H]4C#N)c3C)sc3c2CCCC3)cc1	408847665	NWVYKBFLVZHNGV-PJJOAPAVSA-N	599.764	6.803	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)cc1	408850514	BHSSROPOPLWNIM-QJOVZPHJSA-N	751.406	8.313	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccccc1Br	408852133	IOHHKYIEUNVRBX-ROTLSHHCSA-N	515.205	6.129	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408862084	WXBUUBADUKXIOF-ODNPBWNPSA-N	654.667	5.386	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccccc1	408863134	LOSWCQHTTQCHGD-LQKURTRISA-N	514.047	5.029	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408863805	QEGPZNRJMQXLJN-WKULSOCRSA-N	601.910	5.313	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408874724	FUJRCETZNNKPSO-LQKURTRISA-N	532.449	5.212	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408880742	IKMYZMAADHOPGF-QDTIIGTASA-N	552.252	6.506	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408883251	SJZAKVUUYNKMRB-GZTJUZNOSA-N	565.862	6.667	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(I)c1	408888884	CISJOTWOUPAGHR-WOJGMQOQSA-N	514.750	6.069	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408890154	ORXRUGNNOAHFEJ-RPPGKUMJSA-N	571.409	5.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1	408942559	GFFNGKLYWFBGIG-MUUNZHRXSA-N	763.452	5.518	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1	408943211	HGMRAZWQYJNUPK-NDEPHWFRSA-N	685.572	5.061	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1OCC(=O)Nc1ccc(F)cc1	408946644	PHMMMFODQWQEQQ-IDWIKUEFSA-N	576.628	6.382	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(I)cc1	408964903	TWHFQOKTYBZVHW-VVEOGCPPSA-N	602.778	6.705	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc2ccccc2c1	408968803	ZIWFVKOCRLYAIF-KPGMTVGESA-N	501.945	6.246	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408978317	ICLIKAHSDZXCOO-KVBGEWAISA-N	607.505	5.460	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccccc1	408982402	XUXJGRWUCIPUHB-IEDNCLQISA-N	540.576	5.655	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccccc3C#N)cc2)c1C	408983933	OPEHXFGBHLKQLK-QQXSKIMKSA-N	521.020	7.052	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	409004853	FPOLNKZFINRNDT-ZNUTUJNPSA-N	623.665	6.849	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Cl)cc1	409047062	MLNGDKRSHKOPRA-WOJGMQOQSA-N	501.391	5.924	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409072136	IPBDLXXLSMNDNW-SFQUDFHCSA-N	531.815	5.724	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409088643	GTWZOIWQQOEZFT-VGOFMYFVSA-N	552.292	7.267	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409089142	LYCCTSDAVNDRDU-RQZCQDPDSA-N	614.352	6.071	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)OCO3	409092404	XKMXGMODSGSULZ-HSZRJFAPSA-N	546.204	6.282	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(F)cc2)cc1OC	409121108	YJLSCZKLMXQESU-MHDJOFBISA-N	633.529	5.903	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409121759	XTGXOEHYHYHABV-GZZLJNBRSA-N	554.672	5.368	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccc(C(=O)O)cc1	409123194	ABKQUCYEICLDPL-DEOSSOPVSA-N	537.366	5.049	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OCc1ccccc1	409186168	XYXHTLNWYYRSBB-WVKHYPTHSA-N	733.084	8.158	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)cc2c1	409186686	GNDWJCVBPJJMJF-HPNXWYHWSA-N	560.053	8.374	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NC1CCCC1	409192488	DGRIMWABYWEPHN-SXGWCWSVSA-N	549.219	5.665	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409219132	NNPKBUHMOZKBHV-GZTJUZNOSA-N	544.822	6.609	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)c1C	409253820	VMYCDLJWVFLRTJ-SRZZPIQSSA-N	508.405	5.851	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br)Nc1ccccc1Cl	409260442	QIMIRILDBGDNFS-IRWBXMRWSA-N	774.322	9.167	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c1C	409268798	AQJSSGDRUQMCHL-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409331935	INPCLVSRNBVEAG-UXHICEINSA-N	613.317	5.264	50	40	KKGB	
CC(C)c1ccc(/C=N\NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409368692	ICFJYQAEDGQAKK-MBTHVWNTSA-N	562.917	5.567	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OCC)c1OCc1ccc(I)cc1	409373960	XGXFHZNCPZRGLX-RHANQZHGSA-N	599.425	5.598	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409374165	ZLMLJLOSSREOKT-RWPZCVJISA-N	534.366	5.862	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384344	BLBSCNMDXJSCBL-KBKYJPHKSA-N	545.360	6.367	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3)c2c1	409394707	DWTHTTQEUDDBDM-UHFFFAOYSA-N	658.505	6.615	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409395969	UQPFAJAPTDQDLP-UHFFFAOYSA-N	590.836	7.373	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409397343	IWSPKDRZFGZHGZ-UHFFFAOYSA-N	563.610	6.234	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(C)=O	409399000	XHISEMQHTZSBCQ-UHFFFAOYSA-N	582.012	6.405	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)o2)cc1	409404384	QBZOKVWRAYXIPU-KMUKQRDJSA-N	587.636	6.941	50	40	KKGB	
CCOc1cc(OCC)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409409048	MFAKYPQYESLQTC-LJUMEUDFSA-N	580.479	6.590	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12	1529548327	CQHVPTHPLAOWJX-RBTLNXAMSA-N	631.758	5.728	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1OCc1ccc(C)cc1	1784292	UXMDLSDUEBNIQS-KPGMTVGESA-N	538.629	5.171	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1	1790186	AKHBLMOVUQMKHU-JSIHEXFSSA-N	556.844	6.307	50	40	KKGB	
O=P1(N(CCCl)CCCl)Oc2ccc(Cl)cc2C(C(Cl)(Cl)Cl)c2cc(Cl)ccc2O1	1855869	LWXUVGTUGXTSON-UHFFFAOYSA-N	572.467	8.154	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)c2ccc3c(c2)OCCO3)c1	3113797	QRRVYAFSPSLJMT-UVHMKAGCSA-N	574.225	5.274	50	40	KKGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1)c1cccc(Br)c1	3115400	AGRTZCUXNWKOBR-RLBGMPNZSA-N	539.429	6.125	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccc(F)cc3)nc3sc4c(c3c2=O)CCCCC4)c(C)c1	3293308	SBSXPUGMZQWDDE-UHFFFAOYSA-N	550.681	5.025	50	40	KKGB	
c1ccc(P(CCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1	6845746	TXFNTLLEAYZBGV-UHFFFAOYSA-N	670.694	8.867	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl	8427212	ZOBWNAWPJDVOAU-CRVYLDRDSA-N	597.716	5.856	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)ccc1OCc1ccccc1Cl	8657405	VECZLRJILRTSFI-MHZLTWQESA-N	541.007	5.059	50	40	KKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4cc(Br)ccc4OC)CC(=O)N3C2)cc1	12251059	GEVBPLRIXIHYSV-FQEVSTJZSA-N	512.473	6.020	50	40	KKGB	
CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1	12251105	DPOFYRDDTVPNJA-SANMLTNESA-N	516.066	6.701	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccccc1Cl	20170883	CBEOPVIBMQQQPB-XMMPIXPASA-N	526.058	5.214	50	40	KKGB	
O=C(COc1ccc2ccccc2c1)N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	97961060	FYWXZTZMLOGNHQ-FDVSRXAVSA-N	582.248	6.113	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1ccc(Br)cc1	97961981	QLZOJIMZESGQGU-MBTHVWNTSA-N	525.399	5.213	50	40	KKGB	
COc1ccc(/C=N/NC(=O)C2c3ccccc3Oc3ccccc32)cc1CSc1nc(C)cc(C(F)F)n1	97965677	SPEXFBHPJADAOK-VWJSQJICSA-N	546.599	6.411	50	40	KKGB	
C/C(=N/NC(=O)CCCCCCCC(=O)N/N=C(\C)c1ccc(Br)cc1)c1ccc(Br)cc1	97966313	VQKWVEICKSJSDS-SVJPUMPYSA-N	578.349	6.323	50	40	KKGB	
CCOC(=O)C1=c2s/c(=C\c3ccccc3OCc3ccccc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(OCc2ccccc2)c1	97966332	OFSPVEBKXYQUIA-TWKRLHGSSA-N	641.749	5.059	50	40	KKGB	
Cc1cccc(/N=C(O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1C	97968684	MBIATHQYLLVVMT-HEQFHQOESA-N	522.457	7.325	50	40	KKGB	
Cc1nn(CCC#N)c2c1[P@@](=Nc1cccc(C(F)(F)F)c1)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2	97980970	GOPJQOVJFYPZAU-FZMFVEGNSA-N	598.613	7.963	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(Br)c2)N1	98000111	PNXDSAOMUNXHDQ-SANMLTNESA-N	559.489	6.156	50	40	KKGB	
COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C1C(=O)CC(C)(C)C2	98006063	HZSNFRIUNMEARB-HSZRJFAPSA-N	597.688	6.799	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1OC(=O)c1ccccc1	100049322	HBVVPWJRBHASHN-LQKURTRISA-N	532.350	5.423	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(Cl)cc2C)cc1	100122401	LDIMULRPQGTTSX-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)c1	100125131	VPBHQASVHQDGKV-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1I	100142132	VZMSGUNBKUYYNB-OQLLNIDSSA-N	570.168	5.315	50	40	KKGB	
CCc1cc(Br)ccc1NC(=O)CCCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	100395006	YSUAFJDLKNMOOC-JQNJGIJOSA-N	619.192	5.288	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(/N=C/N(Cc3ccccc3)Cc3ccccc3)Oc3c2ccc2ccccc32)cc1	101108378	KXFORSBNWKDSPQ-GDFVAZRPSA-N	535.647	7.839	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	103898502	BDYUZWWQKYPGSD-QCFMCPCVSA-N	603.144	6.329	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCCc3ccc(OC)c(OC)c3)N=C3CC(C)(C)CC(O)=C32)cc1	104076676	NWTWNMZCDJNEKU-MUUNZHRXSA-N	561.704	5.710	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1	104636268	VDKASVNFNJGJRM-VFCFBJKWSA-N	558.498	5.168	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104699932	XYAGSACWLJWEBF-IBUAOPKNSA-N	564.154	8.613	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341908	DNSUCKWMGCYBEZ-HXUWFJFHSA-N	826.498	13.841	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)CCCCCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	150476454	XVCLCVIGELIOOK-NVPGFDISSA-N	639.610	5.688	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc(C(=O)O)c1	408542981	MOTFXRIRNFMZEE-QRVIBDJDSA-N	527.374	6.425	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1	408545251	WXYQEXRIQODDKT-IUXPMGMMSA-N	546.204	6.579	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c(C#N)c1C	408547004	QELCPCRUSAQIJG-VXLYETTFSA-N	594.443	6.073	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408548903	NCQLSYKIZXVKMI-KSEXSDGBSA-N	562.363	7.004	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)c(OCC(=O)Nc5ccc(Cl)c(Cl)c5)c(Br)c4)cc3)cs2)cc1	408551044	JDYJBNFSUJYPGZ-NNODZFFKSA-N	788.349	9.475	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552591	RDQFPZMUZIYLFX-RQZCQDPDSA-N	672.144	7.841	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(Cl)c(Cl)c5)cc4)cc3)cs2)cc1	408552979	MITYIACMBZLIJN-QMRORBIVSA-N	630.557	7.950	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1nc2ccc(F)cc2[nH]1	408569450	NTIRBQQTYJTYJH-SXGWCWSVSA-N	574.191	6.712	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408570311	UAHOZLPESIMSBI-APSNUPSMSA-N	570.318	5.867	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408570628	XHAFPAQBWNZNHU-FDAWAROLSA-N	593.727	6.309	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccc(Cl)cc1	408612140	XQFAQWBWCZSMJP-QGZVFWFLSA-N	544.833	5.186	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccc(Cl)cc1	408661608	RBHSTMYDLAUZPT-FZFHUJAASA-N	610.925	5.255	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408669453	HANQGXBSCNNUPX-YVSFHVDLSA-N	554.666	5.327	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C\c1cocc1-c1ccc(Cl)c([N+](=O)[O-])c1	408736603	DPTDWRXNEIYNPQ-KDUAFSNCSA-N	559.022	5.931	50	40	KKGB	
N#C/C(=C\c1ccccc1)C(=O)Oc1c(Br)cc(C(=S)N2CCCCC2)cc1Br	408753903	ROUDBGJIDRJUCN-GZTJUZNOSA-N	534.273	5.886	50	40	KKGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br	408758273	IAJHLYSELYGKPI-WMZJFQQLSA-N	504.993	6.073	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Br)cc1Br	408777138	VYDPDLCNNNJIRB-ZDLGFXPLSA-N	590.699	7.307	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1ccc(Br)cc1	408779571	YQDIGCRNBQQFST-DHDCSXOGSA-N	523.692	7.886	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408787432	ABSNCPXDWLIMBW-LICLKQGHSA-N	593.646	6.832	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1	408793235	DIYBBGSDCFENQN-YBFXNURJSA-N	558.245	7.038	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1cccc(F)c1	408796183	OLBCCZJGWGSJDW-RGVLZGJSSA-N	509.375	6.420	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408797523	SIFIMELDINRVCU-GIDUJCDVSA-N	537.186	7.333	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408799532	ZNVYBWYDJFEIHP-YDZHTSKRSA-N	623.288	7.640	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2Br)cc1	408807137	CDUOWOJTUGRKKW-ZDLGFXPLSA-N	544.218	6.784	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408821247	FHIVRQAQUAZGNU-NKHVPTTDSA-N	647.075	6.049	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cc(Cl)cc(Cl)c2)cc1	408825911	BISOMKJIJFFQBX-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)NCc3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408828004	IHJXYFAUNRWOAV-ONUIUJJFSA-N	574.102	6.164	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408839271	PTTNTDLUUNMEQL-ROPCREHHSA-N	594.955	8.685	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(I)cc5)c4C)cc3)cs2)cc1	408840480	YYOULDAKYMZNIE-VTNSRFBWSA-N	631.543	7.638	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408842948	KPVLGEGMMIRDGV-IBBHUPRXSA-N	623.529	6.339	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1	408847307	SZWVMLSCMPNDOO-STZFKDTASA-N	614.938	7.485	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1F	408852432	FSONSHUCDKKKJO-MUXKCCDJSA-N	558.347	5.918	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1cccn1-c1ccc(Br)cc1	408852982	KGSGUCXAONQTMM-KSEXSDGBSA-N	556.052	5.294	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1	408858274	RIUFHMXIMPKVFU-ICUTVXMZSA-N	573.649	6.893	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408861573	SSSSVQIBDBPSIW-FMFFXOCNSA-N	632.764	5.089	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccccc2)cc1	408862917	NRRXCDWISUEEPX-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408884750	VIGVXITWKOIJSD-WOJGMQOQSA-N	616.446	5.386	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408887354	PYCMPTMOWLCDPM-NTUHNPAUSA-N	578.162	6.910	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1O	408889698	FWHKYFODZGPYMA-BIZUNTBRSA-N	615.590	6.600	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408893895	GRVPQLPKCCQHSL-BJMVGYQFSA-N	507.673	6.269	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2)cc1	408893986	HTWJLBNLUBOLSD-CPNJWEJPSA-N	554.238	6.593	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(Cl)nn1-c1ccccc1	408895225	UIEAIGWCMVBMEK-MUFRIFMGSA-N	556.475	5.218	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2OC)cc1	408896903	OUWORQRWDMTVHG-VCHYOVAHSA-N	613.364	5.290	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2OC)cc1	408900638	XDZBHQVDIWTTNI-BIZUNTBRSA-N	589.442	5.072	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2o1	408903886	AVNNSKJCHPYJPS-ROTLSHHCSA-N	539.298	5.355	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)c(OC)c1	408923707	KPJUMRVTYSQSSM-CJPARAFHSA-N	730.012	5.809	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1c(OS(=O)(=O)c2ccc(C)cc2)ccc2ccccc12	408924994	PXAHWYAQOUHFTL-HMMYKYKNSA-N	543.557	5.378	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	408926885	YXYHTOMWEHDLNC-RWPZCVJISA-N	513.402	5.987	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(C(=O)O)c1	408950899	UKRMESDVDLMRNZ-WKIKZPBSSA-N	523.339	5.245	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408971079	LRPLOKXIUUMBOX-GFNSVBDRSA-N	593.305	5.410	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCC(C)C	408972086	RSSGVOWFVNPHGQ-GISVKQOSSA-N	576.532	5.251	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	408980923	ULGUUWGPJCZDKR-BMPNZVKJSA-N	579.498	6.464	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	408983101	KLAZXIXCUMCGTE-NVMNQCDNSA-N	546.248	7.198	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc(F)cc1	409002222	ZGIOKMQQXCFILJ-NVMNQCDNSA-N	625.175	6.376	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409004663	BBLOPJQSJVFVRE-QJOVZPHJSA-N	630.583	7.097	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc2cc(Br)cc(I)c2o1	409019374	YXOOHPUYDHMONX-LGJNPRDNSA-N	575.200	6.143	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)cc2)S(C)(=O)=O)cc1	409025538	WTVVAYAZKMGHET-VTNSRFBWSA-N	583.541	6.439	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	409027933	GMOVZUCJTRNYAO-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1OCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12	409035921	KNZNOHYXHAUFCQ-DPNNOFEESA-N	709.325	7.454	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409040369	TYONDJWWRJGVGG-NUJZUDFISA-N	552.812	5.633	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)c(C)c1	409042644	NXSVMVWXRJQXNE-YDZHTSKRSA-N	590.315	8.106	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c(C)c1	409046343	KCVLKEWIEXZRJA-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1	409078010	HAHFRBQNZCWZMT-NTEUORMPSA-N	505.811	6.744	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409080118	LQRGUKKLJGAIJN-LDADJPATSA-N	622.868	5.965	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409083424	OHZWKJVRRIOHSV-XNTDXEJSSA-N	539.298	5.612	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)cc(I)c1OCc1ccc2ccccc2c1	409091570	RLPAGJPWHDBNNP-FDVSRXAVSA-N	551.384	5.581	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409116389	IWZYMIURBGOCJY-RDRPBHBLSA-N	527.090	5.149	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(F)cc2)cc1OC	409128679	GIEJWMKCZJJMPJ-VTNSRFBWSA-N	599.084	5.249	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409142531	DLYBDNAZVLKCPY-FJEPWZHXSA-N	680.711	6.974	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccccc4Cl)cc3Br)cc2c1	409188148	WYBLJPOCTZSATD-NUJZUDFISA-N	557.828	6.599	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1	409241847	YZKTUEFGYRPHIM-LZAZYHHXSA-N	581.410	5.102	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)ccc1OCc1ccccc1	409250595	NCRLYCUPZVZXTB-GXBUFBABSA-N	551.643	6.063	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NCCCc1ccccc1	409252296	XDRYMSMZQIEYBH-BKUYFWCQSA-N	544.276	6.991	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccccc1Cl	409253581	XEDPLBSOWCZMHG-XCHWQBBTSA-N	526.420	5.474	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1	409266972	ZKCCFRUYQRQCOG-KMUKQRDJSA-N	586.088	6.716	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)ccc4OCC(=O)Nc4ccccc4)cc3)cs2)cc1	409268521	UZVSUXPWMLPRMT-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1OC	409311727	HPXAHLGAAZBMRY-NUJZUDFISA-N	608.714	6.781	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OCc1ccccc1F	409330469	AQDPOOZUVPXHDB-BKUYFWCQSA-N	535.356	7.235	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OCC	409332772	MFPTTYNSYDQRMU-MWLSYYOVSA-N	509.990	5.227	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1OC	409335335	VOORKPXQIWBGOC-MWLSYYOVSA-N	507.974	5.003	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409358062	JYRISLRYHXLFFK-OKCVXOCRSA-N	546.425	5.994	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2Cl)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409367852	IFSMCJJKWGMCNI-DBFSUHOCSA-N	552.911	5.913	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1	409367915	NSPQBXYPULKNLD-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccccc1F	409371801	ORBGQEVCKACSTR-SXGWCWSVSA-N	615.611	7.331	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394906	HFRHGNWVDVUOAS-UHFFFAOYSA-N	630.398	6.331	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)cc1OCC	409396079	WDGBXZDPWVPSGM-UHFFFAOYSA-N	705.403	8.140	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409397482	KIKQWISQGBJWEP-UHFFFAOYSA-N	693.925	7.483	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409398722	VJWFLHKSFJYQJH-UHFFFAOYSA-N	561.594	6.172	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC#N	409401143	GOGILWAOCHKGSP-KYHGBAKBSA-N	638.462	5.936	50	40	KKGB	
Cc1ccccc1NC(=O)Cn1c(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409402925	LIXGQZRXZDQEBW-GLJXUZQSSA-N	613.718	7.240	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCC#N)c(I)c3)o2)cc1	409403000	LQAFBKIJBLGWRE-BVMLUPFRSA-N	720.305	6.142	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4F)c(Br)c3)o2)cc1	409403140	LYCPEMUKEPNVFA-ADJDCTSUSA-N	693.957	7.603	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	1529547570	MIXGRAJTQNTPEC-AJXABOPQSA-N	855.449	5.268	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12	1529548767	NQPDPEIGMGGRPT-OMWOMDGGSA-N	677.610	6.611	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1	1787837	IEVMJCKKFIFAHJ-CDSHQWRTSA-N	532.084	6.500	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cccc(Br)c2)ccc1OCc1cccc(Br)c1	3089771	WLBXHOPXVXOPIJ-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cc(OC)c(OC)c(OC)c3)C3=C2CCCC3=O)sc2c1CCCCC2	3666731	QZBGJINMPGAWHO-RUZDIDTESA-N	577.703	5.524	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OCc1ccccc1	8427216	VODVSXKDQOLHQD-PDCOQUBPSA-N	657.705	5.663	50	40	KKGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(Br)cc2)nnc1-c1ccc(C(C)(C)C)cc1	9379666	AFBXDIDPGFJLKE-QQXSKIMKSA-N	514.493	5.658	50	40	KKGB	
N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@@H]1c1c(F)cccc1Cl	12428375	ADIZIXNFWRZOJB-IBGZPJMESA-N	506.006	5.303	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	20170486	HBTZHNYBHUCCKG-VWLOTQADSA-N	503.555	5.230	50	40	KKGB	
O=C(N/N=c1\cc(-c2ccccc2)c2cc3c(-c4ccc(Cl)cc4)coc3cc2o1)Nc1ccccc1	30822730	XCNNYIXUSSBLER-XPXRSFDGSA-N	505.961	7.804	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1I	33410109	DMIVEIAPOCRLAA-UVTDQMKNSA-N	509.141	5.164	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	59887113	ZPPISJGQVVJDHB-IPPBACCNSA-N	584.909	5.541	50	40	KKGB	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1	95748017	LIRGNZYNAGBLDV-UHFFFAOYSA-N	531.379	7.275	50	40	KKGB	
O=[P@]1(N(CCNc2ccccc2)c2ccccc2)C(CCCl)=CN(c2ccccc2)N=C1c1ccccc1	97951461	ZVQHGVHFZQKKRZ-KXQOOQHDSA-N	541.035	8.236	50	40	KKGB	
CC(C)(C)OC(=O)N1C[C@@H](P(c2ccccc2)c2ccccc2)C[C@@]1(C)P(c1ccccc1)c1ccccc1	100035331	OWQRFVZWBLIKNN-AFPLUKJUSA-N	553.623	6.978	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122347	HHALBYLZHSRIOD-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)c1	100124865	HTWHSJAYWAZDEE-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	100196937	CZQLOPATSTWWRA-SZXQPVLSSA-N	554.606	7.664	50	40	KKGB	
C#C[C@]1(OC(C)=O)CC[C@H]2[C@H]3CCc4cc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)ccc4[C@H]3CC[C@@]21C	100223733	PNMCQXPTJSJVHG-AZTHASGVSA-N	596.595	6.910	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)c1nn(-c2ccccc2)c(N)c1C#N	100544068	FJRCMYOHIYOQDP-CAOOACKPSA-N	555.252	7.583	50	40	KKGB	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)OC(C)(C)C	100794542	KYSDBVSJLBOZDZ-VSGBNLITSA-N	562.711	5.487	50	40	KKGB	in-vitro
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1	101161328	IVAFWGHFMDWKIX-IQQNDYETSA-N	530.383	6.337	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccc(Br)cc3)=C(C#N)[C@H]2c2ccco2)cc1	101695257	JOKUOQNJRAAESV-SANMLTNESA-N	606.498	6.170	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1Cl	102719104	QZJDDTPMXPZJEV-GDLZYMKVSA-N	587.145	6.980	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1C#N	103883669	JXLKCWMQQGGAPH-IWIPYMOSSA-N	557.448	5.164	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(F)c1	103884457	JLZKOSVBLKQEMR-UQQQWYQISA-N	560.467	6.151	50	40	KKGB	
CC(C)(C)c1cc(/C=N\NC(=O)COCC(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O	104166730	ROGWIXPAQUYWFL-VEIIUTKRSA-N	594.797	5.905	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OCc1ccc(Cl)cc1Cl	112265149	GNABNIZRHAMBTK-OPEKNORGSA-N	559.187	5.933	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1	164817965	FZBLQFBAFADUBJ-KCSSXMTESA-N	626.960	6.579	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408527043	JHAOLAWLIYYQGQ-RPPGKUMJSA-N	552.650	5.973	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1cccc(F)c1	408542028	JECOHHULOMJLEB-LSCVHKIXSA-N	572.330	5.262	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551502	LHHJLMBCJWRAES-CXUHLZMHSA-N	541.822	7.003	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCc1ccc(C)cc1	408555505	XTXRAYRQPLHIBK-PCLIKHOPSA-N	537.685	7.059	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	408569647	PCKJJSPTSIPCOR-WYMPLXKRSA-N	503.989	5.516	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2Br)cc1	408570817	YYNGPRNONRRJBD-IPPBACCNSA-N	636.431	7.107	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1I	408744898	NXGROETVXCPXGA-GDNBJRDFSA-N	551.178	5.010	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1	408745447	SIEWHOZBWWGZKH-IUXPMGMMSA-N	506.216	7.733	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NCc1ccccc1	408748141	ZBKKBOGJMSFOQP-LSCVHKIXSA-N	595.118	7.321	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br	408757154	XPLYKDPQJMIMAC-VZUCSPMQSA-N	533.003	5.989	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OCc1ccccc1	408761316	IIEXZXTXYRXTCR-XDHOZWIPSA-N	556.254	6.735	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408764702	SKILMXJCJWDKLS-APSNUPSMSA-N	611.117	7.652	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408768543	XXHOFFVZOSHVLA-UYRXBGFRSA-N	502.483	5.802	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1cccc([N+](=O)[O-])c1	408775420	SPRGAPRURQAWDX-MYKKPKGFSA-N	550.207	5.056	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408792462	ACDHGYCXFTZKCQ-LZYBPNLTSA-N	575.188	6.384	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(Br)cc1	408793300	DTPRBIKLZJIPOO-RQZCQDPDSA-N	625.144	8.042	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1cccc(C)c1	408794353	SASPNYHXVXZIDJ-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1CC=C	408811105	LUTDZRZPZWCVTH-HWIUFGAZSA-N	552.472	6.720	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408822829	CCQJJEXILSHSDD-DHRITJCHSA-N	666.399	9.085	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408836377	QRHWHNXRKSTXHW-CVKSISIWSA-N	689.506	7.610	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc2ccccc2c1	408841649	GDLXIYXIDFIBGD-NNLKUIAGSA-N	612.755	8.757	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(Cl)cc1Cl	408851562	LEIKSTNHMAXWSZ-HCGXMYGOSA-N	506.198	5.505	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)COc4cccc5ccccc45)c3C)sc3c2CCCC3)cc1	408853637	VSFMHMAKMIEYGV-QJOVZPHJSA-N	590.749	7.277	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)c2C)cc1Cl	408863734	PFZLOJPSQZWGOB-VPUKRXIYSA-N	578.909	6.567	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408865164	BFPFOIUNHKWGSN-LOAJVOFASA-N	555.487	5.300	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OCc1cccc2ccccc12	408894053	IMZXLUCWRJVLSB-OKCVXOCRSA-N	537.841	6.997	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)c(OC)c1	408924574	PIAZPGWTPRSWJK-XZNIKZDNSA-N	792.627	6.151	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)c(OC)c1	408958005	XBKLWCGNTGJXDF-UIGQDENISA-N	838.437	5.512	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)c(OC)c1	408958069	XINRADKZHFTWSM-OQZORREDSA-N	652.704	5.156	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(I)cc2)c(F)c1	408963723	ALZWJUGEAJBNEL-KKMKTNMSSA-N	578.179	5.407	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(O)ccc2ccccc12	408974113	XHWRNTYBODIHLT-KXJXYNLISA-N	550.442	5.497	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408991118	MVKNKHYWDBQVOX-SBWWSWLISA-N	673.554	8.759	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1	408992421	RURBRJMGNBDQHE-IMEWXKHHSA-N	585.667	5.810	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	408998561	MCTHQZSYIFNETP-ZAFKSPNMSA-N	724.020	6.717	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c2ccccc2)cc1	409003508	SKQPWSBWHVKLOA-BZCOGROQSA-N	596.536	6.441	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1	409008470	WQJFOPZMPZHHBM-YUMHPJSZSA-N	591.708	6.735	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409008653	ZHYYSPITBPIEMH-CPDSRJINSA-N	617.338	6.317	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1F)c1cc2cc(Br)cc(I)c2o1	409009183	BWLWSTKFDXPQFO-KKMKTNMSSA-N	593.190	6.282	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(Cl)cc2)cc(OCC)c1OCc1ccccc1Cl	409011172	DZCHHLXXHMTXMB-UMFYWXHYSA-N	660.598	6.956	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1	409015800	BJVXJDNMCJSLIV-UHFFFAOYSA-N	559.066	6.236	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409017102	JVOHQYJHUQZMDS-AQLQTECXSA-N	543.834	7.473	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409036994	SCGMRNWCDPDBJB-DLCNMLRHSA-N	680.315	7.751	50	40	KKGB	
Cc1ccc(COc2c(Br)cc([C@@H]3C(C#N)=C(N)N(C)C4=C3C(=O)CCC4)cc2Br)cc1	409136577	RUZISLKAFIVRJG-JOCHJYFZSA-N	557.286	5.829	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409167510	IWHOFKTYSWBPJQ-VFLNYLIXSA-N	563.825	5.152	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Br)c3)cc2c1	409185254	UZRXWJHGOBCTLK-DBFSUHOCSA-N	545.792	6.729	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1cccc(C)c1	409220497	ARZJTPJZFNJXMY-AYBNGVQBSA-N	505.412	6.130	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409221468	QTENYEZRAQYEFX-HAHDFKILSA-N	519.395	5.382	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409224885	NQLWNGPTVDVYHY-BGIJXCFUSA-N	554.002	5.984	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409247308	MJKQHCAVDPFNPS-BKUYFWCQSA-N	633.178	7.209	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)c(C)c1	409251586	PULGFYBPYIQMLD-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)c1	409257943	VADCDZDLZDDQMX-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409265954	XCLOFXJCSPYHFZ-NDENLUEZSA-N	629.882	6.523	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409333137	IXBNLCWZJQWOTA-LEWJYISDSA-N	582.893	5.464	50	40	KKGB	
CC1(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)SCCS1	409359271	BBNNRORFZQNFPE-CVKSISIWSA-N	515.498	6.218	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1ccc(Cl)cc1Cl	409372705	HEFWVUZRTCGGBW-VWJSQJICSA-N	602.312	7.659	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384921	GKJJCJWKZQPBFI-LUOAPIJWSA-N	579.259	7.222	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)[nH]c2c1	409390188	BXPOJKJJMQAKPR-SXGWCWSVSA-N	529.221	7.284	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc(F)c4)c(I)c3)[nH]c2c1	409392303	OVKQPGPXJLQWQQ-MFOYZWKCSA-N	525.321	5.958	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(C)=O	409396659	ZUIOXEYHLTZIDD-UHFFFAOYSA-N	831.255	7.882	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409399276	YTKUQJLYOUBYQO-UHFFFAOYSA-N	542.595	6.397	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccccc1	409403788	OBERFBVQPPJEEI-IPHFVPNQSA-N	563.654	7.008	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)o2)cc1	409404695	QQHFQPZRPYLJIJ-QMRORBIVSA-N	677.939	7.933	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccccc1Cl	409406422	WRKVXYSDUUADEM-ADJDCTSUSA-N	741.864	8.796	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@H](c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2)c1cccc2ccccc12	1857795200	SRAPNYODFICLFE-FRQQJOPASA-N	565.675	6.468	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c[nH]c4ccccc34)nnc2-c2ccc(Cl)cc2)cc1	1741341	VSMIOTLIIXKITL-OKCVXOCRSA-N	531.041	5.710	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	1769558	YGYGUTJLTNPRAW-QGOAFFKASA-N	531.521	6.445	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C(=O)OC(C)(C)C)c1C	2361567	RHYQZKRBCPYYQM-CYVLTUHYSA-N	545.686	7.442	50	40	KKGB	
O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1	6144529	IYLJEIAWDIZCCZ-WPWMEQJKSA-N	500.605	5.461	50	40	KKGB	
C/C(=N\NC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1)c1ccc(F)cc1	8694818	QFMIAVLOHNKOHZ-VWJSQJICSA-N	523.515	6.461	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccccc3)C2=O)cc1	9374659	GIPNXPDQLYGUIN-RAMZYJDASA-N	511.603	5.237	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1	13189443	DHHZUGRREODERP-SANMLTNESA-N	501.652	5.695	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl	28216885	WESKFQWJFQCXSE-OKCVXOCRSA-N	508.474	7.457	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl	53277211	VZEPAVHPUITXMS-DEOSSOPVSA-N	587.036	5.284	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccc(F)cc1	58979956	TVRGPKFKTVBSGL-OCSSWDANSA-N	517.582	5.881	50	40	KKGB	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=c1\cc(-c2ccc(OC)cc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3	60045130	BIXWNJRABNGOMN-UYSHJZHSSA-N	575.706	6.372	50	40	KKGB	
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N/N=C/c4ccc(OC)c(COc5cccc(C)c5C)c4)c3N2)cc1	97948856	AWLYGXKMJFUCBH-QLKXAALFSA-N	607.633	6.520	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl	97951872	LTIXTIPNCZPHDY-QHCPKHFHSA-N	532.449	5.251	50	40	KKGB	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccccc1OCc1ccccc1	97959385	PXCQPKJUUISSJI-OCSSWDANSA-N	548.068	5.518	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	97997752	UAADTFDPBTTZPD-WKULSOCRSA-N	535.811	5.941	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	97999366	YDUKJOJDFUPORC-MUUNZHRXSA-N	558.660	5.702	50	40	KKGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1	100035679	JWQDALAXFCXTOQ-MWAVMZGNSA-N	542.101	6.035	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)cc(I)c1OCc1cccc2ccccc12	100231023	UJZMKWVGOSSGKV-LSVSHXRVSA-N	568.455	6.308	50	40	KKGB	
CC1(C)[C@]2(C(=O)N3CCCc4ccccc43)CC[C@@]1(C(Br)Br)[C@H]2Br	100848585	DRBPTROIDJXVOM-MDASCCDHSA-N	520.103	5.652	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1	100866536	VCEZBWHQYSSKHU-MBTHVWNTSA-N	530.868	6.527	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1	102073584	VGWAULZQCZITFB-KGENOOAVSA-N	529.530	5.070	50	40	KKGB	
Cc1ccc(C(=O)N/C(=C/Sc2ccc(Cl)cc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	102618645	YLEFXGNZGGJEIB-IVQJCJPDSA-O	565.098	7.964	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2Cl)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	103527241	YLCQKMNRGKMTDW-OTNCWRBYSA-N	612.482	6.599	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103889710	VTTKHGANHKXVQG-YBEGLDIGSA-N	594.192	6.631	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cccs2)cc1	103898894	MHMLFTPTGUSLGB-OGLMXYFKSA-N	524.067	5.869	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1CCC(=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1	104614456	JODWIKLPMKKDBJ-ZIAGYGMSSA-N	574.292	6.053	50	40	KKGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)COc1cc(C)c(Br)cc1Br)oc1ccccc12	104813505	XJICUBPWYKJOFK-FJEPWZHXSA-N	617.294	6.328	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1	150382645	VLEPEIKBIMRUHK-KSQHNDHQSA-N	663.594	5.047	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	150433768	SYCLHNRSLVXFEB-KCSSXMTESA-N	643.991	6.254	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	150490673	AFMVNNWTBQZQGC-ATZGPIRCSA-N	642.565	5.714	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OC(C)C)c(I)c2)cc1	216062190	DQTISEPYVCPDSL-FSJBWODESA-N	592.215	5.236	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	408529423	JNQJRTZMVAPRGU-UVHMKAGCSA-N	531.248	5.661	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408537441	FDYWPXSQQPTYDW-MFKUBSTISA-N	587.047	7.590	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OCC)c2)ccc1OCc1ccccc1	408538844	CKOSNJJEYKZZJB-UUKRNIFRSA-N	695.212	8.647	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408541763	HNFQFWIFLNQPHY-UQQQWYQISA-N	531.450	6.727	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408542657	KORJYJDRUOQWRA-RGVLZGJSSA-N	594.409	6.734	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1ccc(C(=O)O)cc1	408545456	YWMKJJZAXDYTBO-LSCVHKIXSA-N	625.175	6.376	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc2ccccc2c1	408549250	RJTAKYCEINGJHD-JJFYIABZSA-N	692.132	8.455	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OC	408553213	MTXWZRSKVSBYDY-RIYZIHGNSA-N	533.391	5.056	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408553225	MXSXRTQTRWVKJQ-MFOYZWKCSA-N	633.282	6.114	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCC(=O)Nc1ccccc1	408579255	FJXDSNUXASWYTH-LICLKQGHSA-N	593.248	7.078	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408642838	OAPQXSWYTQIRGZ-RDGPPVDQSA-N	617.121	5.156	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	408677786	UVNOWXCEUHTFES-OKCVXOCRSA-N	537.845	5.917	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2-c2ccccc2)cc1	408740959	FRWAHKUVAPQWDY-STKMKYKTSA-N	530.584	6.882	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)c1	408745352	MCFUFJLOXWCXGC-NHDPSOOVSA-N	579.394	5.695	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)NCc1ccccc1	408747281	LOIUXEVFDLILAX-LSCVHKIXSA-N	642.118	7.163	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408749738	SSBVCDBDQCBROJ-MUFRIFMGSA-N	503.396	6.262	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(I)c1OCc1cccc2ccccc12	408760544	ANCWMOCEULJUEO-FJEPWZHXSA-N	622.488	6.151	50	40	KKGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1cc(Cl)ccc1Cl	408763367	NGWZARMKKNWTFF-NDENLUEZSA-N	523.397	6.460	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2I)c1	408764421	RZBUYWBKQWUNQL-NVMNQCDNSA-N	652.124	7.249	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(C)c1	408790656	XNWWRSDQGLJAER-RGVLZGJSSA-N	583.382	6.031	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1F	408791761	CAGUFXYBSWVJFB-RQZCQDPDSA-N	515.766	6.375	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408795941	NCGOOOZGHYCDDX-ZVHZXABRSA-N	728.324	7.350	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(Br)cc1	408798750	WVASHARWXVEOEM-BUVRLJJBSA-N	695.351	7.766	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1F	408799378	YXKUSVNFKHHOBZ-RQZCQDPDSA-N	611.238	7.260	50	40	KKGB	
N#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408799558	ZMICMMBGMGQEIA-VZUCSPMQSA-N	577.003	5.809	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)C(O)(c1ccccc1)c1ccccc1	408810262	JKFYSIOUNNIAPA-FDAWAROLSA-N	594.303	6.177	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408819499	XMLMFKJPTMRXKT-WOJGMQOQSA-N	542.249	8.578	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(Br)cc4)c(Br)c3)cc2)cc1	408829521	ODEXCDXAJORODX-PCLIKHOPSA-N	632.352	8.224	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408829547	FYBQNYGJKZUWIH-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408831574	ZUGNHQPRILIFRL-YBFXNURJSA-N	541.818	6.792	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1	408835565	NYYKOYHWALVZLX-WSDLNYQXSA-N	611.884	8.498	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408842017	NHTRQJHZCUJNLH-ATZGPIRCSA-N	677.404	6.689	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408843353	DNGWHUKGGQBZAN-AEVGBRMKSA-N	759.269	9.470	50	40	KKGB	
CCOC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408848496	WZIUSZIKZKOZGB-WKULSOCRSA-N	535.025	5.913	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1cccc(F)c1	408849030	XSPHGSYUPIVEDR-FABQOPTDSA-N	566.658	7.353	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(F)c1	408852305	SFBVBAAOKIQCEH-FDVSRXAVSA-N	507.359	6.406	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(F)cc1	408853939	TWOYGGKXLDWXDY-XODNFHPESA-N	535.797	5.748	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc2ccccc12	408854357	DBARIOPLRBXGBL-BVMLUPFRSA-N	608.286	7.463	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)c2ccc(C)cc2)cc1	408856432	HDJBDOFFXRCVLI-XICOUIIWSA-N	636.170	6.370	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC	408860700	CFHXXKILVXVRJW-QNKGDIEWSA-N	634.552	6.182	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408862634	ICTHWLRWZVQMQX-ATZGPIRCSA-N	660.949	6.175	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	408866867	IYPUCTVFQWIPIB-FABQOPTDSA-N	687.012	6.353	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)c2C)cc1C	408871113	XXFIGERJJHDJQY-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N\NC(=O)c3cc(Br)ccc3O)c3ccccc32)cc1	408883411	RCDJPOWYVAREQS-VPTZOQJTSA-N	606.476	5.430	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1	408884097	VVUSYUMUVYEYMR-MHWRWJLKSA-N	512.305	5.675	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc12	408889174	AMMHQSVBCXIOQE-CIAFOILYSA-N	606.860	7.687	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)cc1	408890431	SZKFFSMEKDGFCE-OVCLIPMQSA-N	566.806	6.177	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408903837	ABXICEMNESKZSR-BCHBDCPOSA-N	502.285	6.130	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	408953690	XTAKVZKETLGOQJ-WJOKGBTCSA-N	766.512	6.829	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408962595	IGFLNWKNSMCQES-KVSWJAHQSA-N	552.303	5.728	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)c(F)c1	408964647	DAQYJZLOXBZEQR-IPBVOBEMSA-N	504.718	5.595	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	408971265	FCPAOTJHTPIQBG-ZAOSUDLOSA-N	630.525	5.758	50	40	KKGB	
CC(C)Oc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408972030	OKELBNBKRIEYNY-ORORGXFUSA-N	542.463	5.426	50	40	KKGB	
CC(C)Oc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408972397	SXDZYXFSLJQYHZ-GHJQEPNISA-N	621.359	6.188	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1	408973626	ZQLLQIYYSDJSER-YTDNODCHSA-N	604.534	6.526	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc(Cl)cc1Cl	408973918	CPRUVGBRPUNCCO-WSXAGQKWSA-N	587.285	6.462	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1Cl	408985743	YHDHABUXBGADSQ-IUXPMGMMSA-N	652.670	7.048	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)cc1	408999611	WZSIRTDLOZCLBP-IPBVOBEMSA-N	617.121	6.879	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1	409000598	ZDHFZDSZGKKIRT-VTNSRFBWSA-N	546.410	6.537	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409019363	ISUDGABYTNYMDC-ZXTCRCEHSA-N	630.789	7.352	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409021133	YFJLVFWJOVTVSY-JEPNHJGPSA-N	567.686	5.953	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409029137	XQRQGUPUJWVVKO-KEIPNQJHSA-N	597.693	5.755	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409069588	LQYYUXMDKBEOKG-RGVLZGJSSA-N	570.339	5.939	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409080943	OKVIUHJTFWEYEE-XDHOZWIPSA-N	502.483	5.857	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(Cl)cc1	409139796	CAFAQDKNOBQSFC-QHCPKHFHSA-N	528.834	5.420	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc(Br)ccc1O	409143899	WRWJYYQPDRZSJV-KIBLKLHPSA-N	722.071	5.615	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	409199850	FEEJWBAXQIJPGX-AMVVHIIESA-N	529.876	7.621	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Br)cc1	409211513	OAUMPSOLYHFJKR-ZDLGFXPLSA-N	544.199	6.772	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccccc1F	409233375	VKBGKDJSPUNQOM-KKMKTNMSSA-N	547.450	5.215	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409244297	AUELOMDHONKXDK-FXONECCMSA-N	535.471	7.484	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)c(OCC(=O)Nc5ccc(C)c(Cl)c5)c(Br)c4)cc3)cs2)cc1	409246984	AJLSTEVCBOWHSG-FDUMAKPYSA-N	767.931	9.130	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1Br)Nc1ccccc1Cl	409256640	PVILPYHMMPPZKZ-ZRGSRPPYSA-N	565.649	5.646	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)c1	409270292	OWZFHUISOPWPHD-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1OCC	409311400	FWTRGMZMYBAUIJ-MZFJOGFUSA-N	517.025	7.024	50	40	KKGB	
Cc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409373239	SQUDUVJYYLCTSP-WKIKZPBSSA-N	569.308	5.406	50	40	KKGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1cc2cc(Br)cc(Br)c2o1	409373744	UCPIWTSKMKUCFF-OPEKNORGSA-N	523.200	5.769	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1	409383071	UHPMASFBYUYSGH-QGOAFFKASA-N	506.356	5.021	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	409384294	AMUQVCVIOKILIY-RPPGKUMJSA-N	544.814	6.568	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409385102	FYAKZPOCOODVBP-LDADJPATSA-N	521.957	5.016	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409385952	MSULHPFGLLFGIU-BCHBDCPOSA-N	520.438	5.569	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1OCc1ccccc1Cl	409387342	VTJNOSOFWBFGDZ-OKCVXOCRSA-N	550.036	6.933	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)c1	409395407	NFRKYYSAIJDTSG-UHFFFAOYSA-N	744.665	9.067	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397043	FMXMAJUVGGKQBA-UHFFFAOYSA-N	695.795	8.395	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409397953	PTHIIVVWFLVEDG-UHFFFAOYSA-N	636.026	7.898	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(Cl)cc3)o2)cc1	409407511	ZZSUEDXGAOOOEQ-HQDYHJHZSA-N	599.043	7.171	50	40	KKGB	
CC1(C)O[C@]2(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CN1C(=O)CI	504340209	AHMCITDLGPUKFA-GUUPXXPBSA-N	525.471	5.287	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	1529547037	IIHZKGOKOZICBE-RZNGARSMSA-N	657.576	5.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1	1529547828	PPBZJNUMDPQDQC-XINRNAFCSA-N	889.348	6.122	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1	2313945	APCQPYVNFUPFJB-XSFVSMFZSA-N	523.406	5.378	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)n2-c2ccc(Cl)cc2)cc1	2318246	MDPGBAWMAIOHKQ-AMVVHIIESA-N	529.975	6.157	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	2321617	CPRJEGHNAWIEMK-BHGWPJFGSA-N	530.056	5.788	50	40	KKGB	
C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@@H](C)C(=O)N/N=C/c1cccc(Br)c1	2743188	QJYQRHDUZQHUAS-DSWROXKMSA-N	549.498	5.623	50	40	KKGB	
Cc1ccc(N/C(SCC(=O)NCc2ccc(Cl)cc2)=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	3220853	NOUSZFOWMPKXGE-WNAAXNPUSA-N	525.461	6.137	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1Cl)N2	4045291	ZBICCFULFLDWCM-AAKLWPEZSA-N	515.418	6.985	50	40	KKGB	
N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	6060211	JBHOAAOEPWJYMW-KAMYIIQDSA-N	534.475	6.351	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)cc2)cc1	6166435	UORNLKVOFKYBPL-RMTIHPRHSA-N	514.651	5.182	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	8400435	GRKPQQJYQSCPIH-MHZLTWQESA-N	608.945	7.062	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc2ccccc2c1	9008934	XAZHYUXRNLTWDJ-FSGOGVSDSA-N	512.038	6.373	50	40	KKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@]12C(=O)N(Cc1ccc(Cl)cc1Cl)c1ccccc12	9282195	RHQNILHKKHKPKJ-HHHXNRCGSA-N	514.372	5.303	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CC(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc2ccccc12	32923282	KYGNAGRKJLOFPR-MNBJERMJSA-N	515.997	5.950	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccccc1F	33793108	LXXCOLOYRDTUCK-BOPFTXTBSA-N	500.267	5.982	50	40	KKGB	
C/C(=N\NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	97965736	VKWUIYZLIIKZEB-QNVXDBMFSA-N	539.451	6.208	50	40	KKGB	
Cc1cccc(CSc2nnc(N3C(N)=C(C#N)[C@@]4(C(=O)Nc5ccccc54)C4=C3CC(C)(C)CC4=O)s2)c1	98007203	ABBNWBOQRDDFBQ-GDLZYMKVSA-N	554.701	5.186	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c2ccc(C)cc2)cc1OC	100304233	XGJOTBOBQAIUJA-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12	100405818	YAMGUIDXADDAFU-WCMJOSRZSA-N	545.970	5.858	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Br)cc1	100990597	YCTCGJYSZZBGEE-HVBJHMBASA-N	563.433	5.100	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	100991872	JGOXYYHAEZBKNG-MHWRWJLKSA-N	525.373	6.755	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cc(Cl)ccc2OC)=C(C#N)[C@@H]1c1ccco1	101305264	QBYFOESLMIIIGQ-XMMPIXPASA-N	550.036	5.710	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1F	102719218	KTNVQTXINOLJTQ-MHZLTWQESA-N	563.054	6.194	50	40	KKGB	
CP(Cl)(Cl)=N[P@]1(Cl)=NP(Cl)(Cl)=N[P@@](Cl)(N=P(C)(Cl)Cl)=N1	103449434	HEKWUVJVIMQRLD-WOJBJXKFSA-N	538.599	11.071	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	103885477	PVIJVVPLKKBSGI-ACAGNQJTSA-N	533.047	6.093	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342122	VUEODILNMCFPKO-REOHCLBHSA-N	842.037	10.293	50	40	KKGB	
COc1cccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3)CCCN2Cc2ccc(N(CCCl)CCCl)cc2)c1O	150371942	NDDHDLYNXIRCQI-UHFFFAOYSA-N	668.537	7.376	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(C)cc2)cc1Br	150462898	KIXSEXYJNRXKCK-MHDJOFBISA-N	678.436	6.826	50	40	KKGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1C#N	163905671	UUWANESLBAPDQV-QFDQHJFZSA-N	669.303	5.436	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1)N2	245232555	XLQGIDCCNPDMRP-FPVDIDMMSA-N	516.044	5.281	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(=O)O)c1	408545052	YUDPNBWPBOFPOG-IUXPMGMMSA-N	546.204	6.579	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408551320	NAFCIENJROHMEV-MSXFZWOLSA-N	529.390	7.552	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccccc1C#N	408552727	UYLWVGSCZUMGRA-KEBDBYFISA-N	529.021	6.157	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1OC	408580598	CZGOAOOMRAEVGB-GIJQJNRQSA-N	608.124	7.634	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1	408587744	GYUUSYMCNKUDSM-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
CCc1ccc(NC(=O)COc2ccc(Cl)cc2NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1	408609233	QMHVUERSHQKYIC-OAQYLSRUSA-N	535.044	5.033	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408612858	ZANCDUKFKQRGGH-MRXNPFEDSA-N	548.854	6.121	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1	408659005	VKAIMWMFJDYZKO-RNLQGSBTSA-N	659.158	5.020	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	408711618	BPIOTACBGKSXNZ-MUXKCCDJSA-N	674.704	6.220	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccccc1Cl	408724640	GOFHKTOWKKGOPN-OAECSNGUSA-N	519.867	6.357	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1	408725643	LROLFNQMHFHDFB-STZFKDTASA-N	568.411	6.213	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)ccc1OCc1ccccc1	408727641	RCEQHSMSTCYRKW-QXPFVDMISA-N	557.672	5.394	50	40	KKGB	
COc1c(I)cc(/C=N/NC(=O)c2ccc(-n3cnc4sc5c(c4c3=O)CCCC5)cc2)cc1I	408730010	DCHPPQKCTNFOGO-XKJRVUDJSA-N	710.335	5.308	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1Br	408738134	PMRZIMJJRHTGIY-BRJLIKDPSA-N	506.169	5.694	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1cccc(C)c1	408741426	IUQRCCADLICKBJ-NDENLUEZSA-N	524.358	5.733	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408745054	JIZGNKGOJLRXES-SXGWCWSVSA-N	628.091	7.485	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(I)c2)cc1	408746874	XBCQVNPEVFKGSJ-MOSHPQCFSA-N	524.358	5.733	50	40	KKGB	
O=C(N/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(O)(c1ccccc1)c1ccccc1	408750453	NDYMGSYDLCAAHE-OHUYPAJKSA-N	528.439	6.383	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(Br)c2)cc(C(C)(C)C)c1O	408762751	QLWJNFAYOSKPTG-KCSSXMTESA-N	660.587	6.509	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1	408769630	XSODHUBFLDPQLM-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408773333	QPTQHQDUPGFXPE-SXGWCWSVSA-N	600.325	5.763	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1OCc1c(Cl)cccc1Cl	408781535	UDSFVGXUMZKJHU-ZHZULCJRSA-N	617.371	8.125	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2I)cc1	408789375	PIYJSVXABWMJKZ-CAOOACKPSA-N	689.118	7.636	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c1C	408792179	JCLZYYHLRMLASM-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(I)cc2)cc1C	408793659	FZENACPLFOPXHE-UDWIEESQSA-N	587.255	6.795	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408808044	CVWDHEQZTXRMCR-JAIQZWGSSA-N	556.254	6.023	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc4ccccc34)o2)cc1	408821022	BNJYWHYCCVPZHR-UCMJSZAQSA-N	580.666	5.221	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc(OC)c1OC	408838151	CKVRCXRBESULAC-KULFSUQXSA-N	723.001	7.578	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4cccc(F)c4)cc3)cs2)cc1	408840877	CQXHEFKVFYBFHN-DPNNOFEESA-N	536.632	7.344	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408845160	PEARISVHSLTCOB-MSEDBIDCSA-N	602.872	6.738	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408848343	VXORCAGFUNVVHV-WCMJOSRZSA-N	611.949	7.697	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)cc2)cc1	408862046	WSFDNMZNIYOFSC-JRZNSJKLSA-N	681.214	7.134	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1OCC	408870574	TWLSGVJABOPNBH-STBIYBPSSA-N	562.475	5.303	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1	408886381	GPTPUWQRUBLLFK-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2Br)cc1	408890911	IIJCAMFHFPESHC-OVCLIPMQSA-N	611.257	6.286	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(Cl)c(Cl)c1	408894929	LDBQOYRHWZCGSF-KBKYJPHKSA-N	651.069	6.546	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)cc1	408897531	XOKQPUXEYIISML-KBKYJPHKSA-N	532.232	6.140	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1	408898816	NCEAMRNFPWJDLJ-XSFVSMFZSA-N	504.926	5.290	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(C)c1	408910042	VUQQDQPQADLMFH-STBIYBPSSA-N	525.443	5.827	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1	408922036	CUDLRDGYUWPNKX-LZYBPNLTSA-N	516.312	6.174	50	40	KKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2C)c1	408967241	PKWLDCZBLMPJDE-IHELAITMSA-N	606.726	8.159	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1	408979767	OLPQBUZPADDFHE-NIVXUIPCSA-N	582.097	5.878	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408980174	PRPPFHLVUGMJJA-LSJKGLAVSA-N	576.480	6.593	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408982004	XEPQXRZZPQMZMN-WJAYPVQZSA-N	542.035	5.939	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1Cl	408985740	YGWMCXZRJXNVOW-SOFYXZRVSA-N	676.563	8.447	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc(Cl)c5)c(Cl)c4)cc3)cs2)cc1	409045125	HTGNKDMXSHDSSZ-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1	409047423	OOPZAJDFQAVKEX-XSFVSMFZSA-N	519.985	5.701	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409088090	FDQRNUCKBCVWDT-RIYZIHGNSA-N	577.269	6.622	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1Cl	409128254	DYNMBXFXFFAAPT-QFIPXVFZSA-N	563.279	6.073	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc(Br)c1OCc1ccccc1	409138326	ZXMBOMQCMYHVGK-FABQOPTDSA-N	684.540	5.293	50	40	KKGB	
Cc1[nH]nc2c1[C@@H](c1cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c1)C(C#N)=C(N)O2	409138603	FHAARZWDGVKMNN-SFHVURJKSA-N	553.187	5.427	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409165884	BHYKLWSCIOVSLJ-VPUKRXIYSA-N	675.694	5.366	50	40	KKGB	
CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(-c2ccccc2C(=O)O)o1	409172314	CDJFFGMTLSKTBP-RUPVGHTCSA-N	516.381	5.246	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1C	409173468	NRSOCFXGISDKJR-YGVWPYPHSA-N	618.531	5.961	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(OC)c3)cc2c1	409186584	FCBPTJILSMRDAU-NUJZUDFISA-N	557.828	6.599	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)/C=C/c1ccccc1	409219492	NEGVSRDRMZAWQN-ZQBVJVFBSA-N	609.635	5.356	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccco2)c1	409220011	SPXFZDOOFYOSPO-UHFFFAOYSA-N	675.717	6.702	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409222679	DCAXTMFMLUIONV-GIVVAOTFSA-N	533.540	5.050	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	409224099	IZKABYJKFUAACZ-UHFFFAOYSA-N	617.412	5.601	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409226147	SIWSZIHRJMEGRA-FYJGNVAPSA-N	548.437	6.028	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409241096	RCVKEWYWROMGTH-YVLHZVERSA-N	593.299	6.343	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2)cc1	409259030	XCPHTCVKMJVZDO-ODLFYWEKSA-N	627.289	5.870	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409259631	BSFMOPJEWGWCHE-MUXKCCDJSA-N	524.961	5.045	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409268359	SKOWZAOQULGFBU-YVLHZVERSA-N	603.698	6.737	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409269907	AXNJKHHQLKMNBG-YBFXNURJSA-N	568.855	6.291	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409304913	TYTWWFKIZJIOEX-RODHXAHZSA-N	644.002	7.810	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC	409310095	QGLVKZRNHHCHBW-UHBFCERESA-N	584.467	5.345	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc3ccccc23)cc1OCC	409310830	WVFGZZAZVCVMBH-MNBJERMJSA-N	547.449	6.743	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1	409315525	IZMOTEKLGBXZQW-QRQIAZFYSA-N	511.416	5.980	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1OC	409327262	RWEAQWLAHNZRSQ-QDTIIGTASA-N	596.703	6.615	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409387947	YZQKCJHAWPNTFA-RPPGKUMJSA-N	632.392	5.674	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409394553	CDBKUWBTLBBVOO-UHFFFAOYSA-N	685.294	8.362	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409394847	GQNLTKMZTSZHBH-UHFFFAOYSA-N	600.900	7.851	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)cc1	409396008	VDPRNJLNBSQUJP-UHFFFAOYSA-N	679.796	8.613	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C(F)(F)F)cccc4c3-c3ccccc3)cc2OC)c1	409397674	MQRDLRMROVELQR-UHFFFAOYSA-N	587.554	6.854	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409398138	RCXJNGQLGIVMRM-UHFFFAOYSA-N	591.973	7.499	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409401189	GTLCZYYIHNJOQX-ACXHZZMFSA-N	721.333	6.804	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409401631	HVMYVRBOWXTBPE-KOKCXWAISA-N	686.559	7.468	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n([C@H](C)C(=O)O)c4ccccc34)o2)cc1	409403915	ONAQQJLRYGYXBQ-FRDFWOCJSA-N	538.604	5.939	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC(C)C	409404903	RIIZWMZCNDOLFH-UHFFFAOYSA-N	580.479	6.588	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)o2)cc1	409409375	OKGJKZMQLXMZOO-FZKWRIDDSA-N	541.692	7.331	50	40	KKGB	
CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1	2269386	FUENOXKQKLLZMP-ZCTHSVRISA-N	527.694	6.181	50	40	KKGB	
Cc1ccc(O)c(C(=O)[C@@H](Br)[C@H](Br)c2cc(Br)cc3c2OCOC3)c1	2300475	RICORXCBDXQHPC-CVEARBPZSA-N	535.026	5.412	50	40	KKGB	
Cc1nn(-c2ccccc2)c(SSc2c(C(=O)c3ccccc3)c(C)nn2-c2ccccc2)c1C(=O)c1ccccc1	2518772	GLIDDQUAIDVEMF-UHFFFAOYSA-N	586.742	7.936	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1ccc(SC)cc1	8406211	HCBHSTUJLXYRRF-XMMPIXPASA-N	532.691	5.361	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N1	20170803	HPRSNICVXBVJDG-AREMUKBSSA-N	513.619	5.708	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	20347589	JCCNWQUFUVQBTB-AREMUKBSSA-N	512.635	5.911	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	33353487	HFKNWFDTUSJXSU-QNKGDIEWSA-N	575.090	5.713	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	59856027	LIOKSZCQYSJRRE-BIZUNTBRSA-N	622.541	5.691	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCCCCCCCCCC	72399476	MQWXVGSHNINWHB-MGBGTMOVSA-N	587.370	11.643	50	40	KKGB	in-vitro
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@H](c3cccc(Br)c3)Nc3ccc(Cl)cc3[C@@H]2[C@@H]1Cl	97951142	KUAAYTYBXYXPSK-LVTPPWGZSA-N	550.305	8.049	50	40	KKGB	
Cc1ccc(/N=C(O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C)cc2)cc1	97968737	XMGRGHHDECHDHL-MIXNUDJGSA-N	522.457	7.325	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	100118314	UVQRZAWCOWJABH-KEIPNQJHSA-N	605.607	6.089	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1	100227849	PHBUYMFGQUTRIC-ODLFYWEKSA-N	594.674	7.749	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	102719133	XXEBSGOYMGRUMS-HHHXNRCGSA-N	528.609	5.541	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3Cl)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	102753505	YFMOBCFWGWLAFO-MHZLTWQESA-N	595.508	6.414	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102810137	BBTKXIUQMZZMKC-AREMUKBSSA-N	578.025	6.094	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	150353402	YMFYAGRLAKCOKH-DZUDJTKHSA-N	655.549	6.054	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	150385651	GZUPSBZHMPBKFP-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
Cc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1Cl	209533301	MHMCISFJFFBASJ-OPEKNORGSA-N	535.623	6.474	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)cc2OC)ccc1OCc1ccccc1	408539412	HGJIBHWOWMJEGF-RODHXAHZSA-N	643.456	7.407	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(Br)cc1	408548801	LMHXBCCZLXXJHT-CFRMEGHHSA-N	518.838	8.298	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccccc1	408567764	PPBHDUZFXZVPLF-STBIYBPSSA-N	556.444	5.869	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc2ccccc2c1	408598601	FKSCRBAKCRDOOO-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1Cl	408607396	CNAOQQGIGLCMFK-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31	408644425	RCUDBPMNQMIPIS-SHMGPBLASA-N	557.861	5.284	50	40	KKGB	
O=C(NNC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccccc1Cl	408672108	ZMHJWLZYPSGOBG-AHBQDSOZSA-N	644.942	5.306	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408676964	OBLGYZOXNDIYJY-KEIPNQJHSA-N	565.743	6.651	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(Br)cc1	408678400	YLVNXLZRRYWAMY-MUFRIFMGSA-N	634.312	6.005	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1cc(C(F)(F)F)ccc1Cl	408686196	MUIKTEDBPHOTQE-LMSBXDPUSA-N	577.770	5.269	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)ccc(Br)c1Cl	408690478	VMWFSFVTOYTIBU-QQGGCJSYSA-N	614.707	5.177	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1c2ccccc2cc2ccccc12	408730845	JIRLRSHGYRPKKV-RWPZCVJISA-N	591.434	5.394	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1ccccc1	408731448	MPMWXFLLBRKMHK-SGOIOIHISA-N	547.614	5.806	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c1	408746346	YNGMFFLNJYTMRB-ZDLGFXPLSA-N	605.124	7.407	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746990	XQDYVOWJTULIBI-BOPFTXTBSA-N	559.747	5.977	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408747583	PVZZPQKZYDUCML-PXNMLYILSA-N	520.185	7.020	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408747599	QDCWMDSIWFNHNI-ATZGPIRCSA-N	661.323	6.572	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc2n1Cc1ccc(Cl)cc1	408756548	ZTZORIQMHJSPSB-UYRXBGFRSA-N	504.815	6.960	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cccc2ccccc12	408758476	KQFCVLLKRXKDTN-VTNSRFBWSA-N	588.299	7.861	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1C#N	408788193	IXNRAXBYEGPQTL-CIAFOILYSA-N	502.368	5.844	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)cc1	408792380	AYKYEZXGTGMMRM-LFVJCYFKSA-N	602.428	6.746	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1C	408795049	UMWUKNXJFMZZNM-MFKUBSTISA-N	511.419	7.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(Br)cc1	408798944	XQMDSAFWOLMLJC-PCLIKHOPSA-N	709.378	8.156	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1ccccc1Cl	408799086	XUALBQOBDVFABV-FYJGNVAPSA-N	539.857	7.188	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408799681	ZYVYNSMFBOCFEM-LICLKQGHSA-N	532.740	6.208	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OC(C)C	408807924	PFVHWCMBRFKXNC-VCHYOVAHSA-N	504.368	5.640	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OC(C)C	408813376	UCQNSSKNTJFIBQ-OVCLIPMQSA-N	510.759	5.595	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408819704	SLMHTSOZAUUPLU-NWFHBYAHSA-N	585.737	6.495	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)c(OC)cc1Cl	408831178	QEKBTBNUOJAUES-VCHYOVAHSA-N	527.802	6.244	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408839205	OSZRPLOYJUZHPN-QTTLDBPISA-N	703.958	7.860	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408840367	BAGWFOSFKREROT-QNVXDBMFSA-N	637.976	8.865	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	408845047	XSFABCKEUMOKID-VBAOPZSKSA-N	639.561	5.595	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408849629	ZPNGFMMIQNFMQD-KVAAJVFYSA-N	719.561	7.726	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	408880552	KKRLVRWLADKFNK-LUOAPIJWSA-N	581.344	7.187	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccc(Cl)cc1Cl	408882645	PUQSRXKYHWVFAB-ODNPBWNPSA-N	599.599	8.355	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408884145	WBJJKUUEESTFFQ-LDADJPATSA-N	506.312	5.431	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408884197	XZHABRCSUCDUFW-KGENOOAVSA-N	569.477	6.032	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408884891	VXNHSIPHCRNWDE-CAOOACKPSA-N	661.245	8.140	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OCc1ccccc1	408885621	CYFHSUBYDDNGHJ-UDWIEESQSA-N	572.830	6.776	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c([N+](=O)[O-])c1	408893200	CZDBKEPUIUHQPV-RQZCQDPDSA-N	572.799	6.153	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904595	LYUCGWKLRSMYQZ-RAWMCFOBSA-N	665.194	5.959	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1I	408906178	ICLMRIZLAFJPLE-NVJOKUIPSA-N	645.207	5.923	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922866	HAXOZQUKLCVFHJ-CIAFOILYSA-N	568.051	5.546	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1	408924898	PKCQHSULYHFFDJ-OCSSWDANSA-N	521.614	6.247	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2cccc(C)c2)c(I)c1	408925996	WGNTUICNCCFATC-KKMKTNMSSA-N	705.128	6.318	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408947237	BKANLZQRKVWKII-BKUYFWCQSA-N	565.386	5.756	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(OC)c1	408949028	DQKFIKKYBVXRBI-ZBVWQCQISA-N	686.505	5.209	50	40	KKGB	
CN(C)c1cccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	409001565	WNPDDHPJMLYYRI-UVHMKAGCSA-N	669.257	5.003	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccccc2OC)cc1	409026959	KTDKPSCEKPUWCO-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
CCOC(=O)c1ccc(COc2cccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2)cc1	409029598	AYIFNHYHTXZAGF-KEIPNQJHSA-N	529.596	6.421	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc(C)cc1	409037653	YEHQAWKLYGBNGN-HNSNBQBZSA-N	548.668	7.214	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	409045673	GYUHAFLOAUUBEX-WOJGMQOQSA-N	501.391	5.924	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409068032	HCPBDCXVZBSQAH-XQNSMLJCSA-N	513.550	5.855	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccc(Cl)cc1	409110536	DSYCABFQOWZSIR-KCSSXMTESA-N	583.085	5.631	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(Cl)cc1	409115807	KTZLVZRYWPPRIT-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1F	409140476	FKRGPVLGVGSXAM-HSZRJFAPSA-N	526.406	5.296	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	409183569	BYOCNZRVNNASKN-PNQUVVCRSA-N	663.805	6.222	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409185347	XPUGXQIXORMOOW-QXUDOOCXSA-N	622.143	5.980	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1cccc(C(F)(F)F)c1	409187345	PFABERJPUKBWOT-ZDLGFXPLSA-N	537.173	7.874	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409189146	IYVIOLFJELVMMO-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Br)cc1	409217461	VOKCAKLBLBEAIA-ZDLGFXPLSA-N	591.199	6.614	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccc(Cl)cc1	409225932	TYGLFBMMBOFJCA-UHFFFAOYSA-N	606.462	6.636	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccco2)c1	409226842	VXVVTWKFJCHPNL-PQFAVVJUSA-N	603.385	5.585	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)n1	409237741	BPGVJCAUEUIWSY-OPEKNORGSA-N	564.303	5.440	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409252980	AIFLVWSXSSDNGV-XDHOZWIPSA-N	507.949	5.749	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409255478	KUCAYAPIFDICBZ-WOJGMQOQSA-N	513.903	6.230	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)c(C)c1	409259627	BQBFFZSNEPRQRC-NVMNQCDNSA-N	617.725	7.045	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1OCC	409327211	RIDFZLKFXRSLAT-NTFVMDSBSA-N	527.415	5.598	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409334335	KYFQXIAWAALRJY-AAPHRLRXSA-N	673.236	7.268	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	409366196	SXFUFMWFKJJQKE-UCQKPKSFSA-N	517.366	7.096	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1Cl	409372991	UVMCHZLBDXOKAY-ZRGSRPPYSA-N	600.278	5.005	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409376402	XXTLFKVZTYXVIU-MOSHPQCFSA-N	564.436	5.728	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	409386080	OKCMDBIINCIOIS-DHRITJCHSA-N	510.369	5.915	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409395895	SXUWVXZBRLUBEA-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397879	OZOQHLAPTCMQEY-UHFFFAOYSA-N	642.064	6.616	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)CC)CC[C@]4(C)[C@@H]3CC[C@@]12C	504638829	QPRLUWUASKOVRZ-CKKODAGSSA-N	507.268	9.962	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C/c1ccccc1O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	2033240046	BXTRCTCQZGWSNF-NLTMOMFBSA-N	510.719	5.249	50	40	KKGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	2143402	KJFDYBBYGPBWHB-RUZDIDTESA-N	587.271	7.034	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	6190694	QNDTVWLZAOCTEX-NNJCEOGISA-N	569.705	6.842	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccncc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	8838075	XOBPFBCHUIKRAH-FSGOGVSDSA-N	514.655	5.268	50	40	KKGB	
O=C(N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O)c1cccc(Br)c1	9355330	DDEGFFAWVIKRCL-BYGYOCHOSA-N	502.166	6.097	50	40	KKGB	
COc1cc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)ccc1O	9380728	TYVGHKOFBIHUAT-FSGOGVSDSA-N	529.666	5.579	50	40	KKGB	
CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1OC	9693277	KPIPIIAEEPUGJX-SFHVURJKSA-N	500.418	5.076	50	40	KKGB	
N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	15910526	PXLNSGDSFPDNSF-HEHNFIMWSA-N	517.938	8.374	50	40	KKGB	
CCOC(=O)C1=C(C)NC(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@H]1c1cccs1	19597246	XCZHSMOOSXIBNN-ANNDGQACSA-N	525.740	5.461	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1	19949050	ODDFANGAHHYAMH-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(F)cc1	59336244	CWKIUWVVHHUIBV-SXGWCWSVSA-N	505.760	6.919	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccc(C)o1	97951824	ITOUXMDNDYEADO-AREMUKBSSA-N	549.052	5.957	50	40	KKGB	
C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	97965776	FZSSOZSYICSCFT-NNOOIMGWSA-N	539.860	6.480	50	40	KKGB	
CC/C(=N\NC(=O)CNc1cc(Br)c(Br)cc1Br)c1ccccc1	100036851	FIDPLPVMFZUNOR-PXLXIMEGSA-N	518.047	5.317	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccccc2C)cc1	100123262	QIEPNSSJUBKNOZ-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCCCC/C=N/NC(=O)COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1	100165133	ZWZYMAADIUTQSX-KBVAKVRCSA-N	530.466	7.392	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1Oc1c(F)c(F)c(C(F)(F)F)c(F)c1F	100310206	APEMAMCDLWOCNX-NTEUORMPSA-N	573.428	6.766	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	100988399	RQZXUCJMHXWMLV-QAKHZNQRSA-N	573.299	6.821	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2[nH]1	101064327	FZIZTHXDGZVHIR-ULJHMMPZSA-N	528.015	7.712	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)cc1	102418525	UFMMRSSYTRVQDT-XFAFFCHDSA-N	622.090	6.344	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	102807249	KBJNSBJDSQVKIS-RUZDIDTESA-N	554.455	6.398	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3c(C)cc(C)cc3C)=C(C)N2)cc1	102808363	PIUHDSSQTKBCQZ-PMERELPUSA-N	568.743	7.254	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCI	103528362	VRCPRBGZFGTRGS-UHFFFAOYSA-N	502.052	6.331	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	103845133	VNWMOKLEOXHBHM-MTJSOVHGSA-N	575.419	5.692	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1cccc2ccccc12	103884728	ZNDOZZKNNRUEFE-SXBRIOAWSA-N	557.694	6.802	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	103896752	WVDSCBLKINMNSZ-XICOUIIWSA-N	620.171	6.534	50	40	KKGB	
Cc1cccn2c(=O)c3cc([P+](c4ccccc4)(c4ccccc4)c4ccccc4)c(=N)n(CCc4ccccc4)c3nc12	104478903	HTCMBCWKAQGJHG-UHFFFAOYSA-N	591.675	5.299	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(C#N)c1C	110490526	PMUVKXUQOYNUKK-VXLYETTFSA-N	583.891	6.819	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	112265580	ZVNOZDSQSCTNBV-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCCCCCCCC	150382808	HVQZYCXYFLFKKQ-YWAJNQPWSA-N	905.123	15.948	50	40	KKGB	
O=C(Nc1cccc2c(OC(=O)C(Cl)Cl)c(/N=N\c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc(/N=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)c12)C(Cl)Cl	150391143	LVWFQLIOPWPNRR-JMAUFSLDSA-N	913.656	9.637	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C\c1ccc(Cl)cc1Cl	150480085	AUKGUCDDGHXXCA-LBJVRIDNSA-N	680.420	7.891	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2Br)cc1	163516796	AERIAXNAUGWVEN-MHDJOFBISA-N	633.340	6.717	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2OCC)ccc1OCc1ccccc1	408537588	FXVDQNOYQMHYQN-STBIYBPSSA-N	655.589	8.567	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1cccc2ccccc12	408543599	PDMYCEAUIXGEOM-UUYOSTAYSA-N	512.949	6.325	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c(C#N)c1C	408547035	QQGRXCIEXVGZFY-VXLYETTFSA-N	539.440	6.709	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(I)cc1	408552179	HVOZFUFIKKOYMY-YBFXNURJSA-N	643.934	7.280	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408567865	GMUHSCIPVKOXHT-UUASQNMZSA-N	639.181	6.693	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408648513	WOSBTGDLSCIFKD-HNNXBMFYSA-N	831.364	8.577	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408675533	BEYWHWZTQWHUOJ-MSPXFKQSSA-N	566.677	5.183	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1ccccc1C#N	408710551	FKPUBXIESRMFPW-WKULSOCRSA-N	538.398	5.080	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccc(Br)cc1	408711587	AIGJFPIONJUZPK-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(C)cc1	408725302	KNTVNHHGJPQXBO-XKZIYDEJSA-N	552.412	6.431	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)c1	408742763	BZXRRLAQNAYSSK-ZDLGFXPLSA-N	607.673	7.140	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1	408744811	NCOWEHADQMSBDV-XSFVSMFZSA-N	525.390	5.952	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)c1	408745248	KVAJHIWUXXZVJW-MTJSOVHGSA-N	521.411	6.290	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408755068	TWWMZHIWEQVHGC-NNRJCLOKSA-N	653.617	7.432	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc2c(c1)OCO2	408760129	SECDILNLGGKJFH-IDUWFGFVSA-N	586.236	6.074	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c(C)c1	408787776	GCACDKGHLDDKFY-UDWIEESQSA-N	506.356	6.099	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc2ccccc2c1	408787783	GFFRKFQAOURWTH-CVKSISIWSA-N	555.472	7.743	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1	408793619	FXWLABZTGYRHJN-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408796242	NMGTUMGNKJSSBG-UDWIEESQSA-N	553.356	5.886	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1	408799106	YCFBNSCGFLTABX-FYJGNVAPSA-N	594.418	6.057	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	408819032	ZPFDPOHUYWVOPY-LICLKQGHSA-N	515.766	6.375	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	408819743	STGPMFWAMZIWMB-MFOYZWKCSA-N	583.351	5.298	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)c1	408825816	AOUPLQTVCVMYIM-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccccc2Cl)cc1	408831328	VEVBKGSYYATAAD-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408834184	TZBOZCOQNOWVSJ-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	408836244	ZQEXNUKLYNNXOS-DEDYPNTBSA-N	511.405	6.915	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408837837	ORWFWWHEGUZOAT-HNSNBQBZSA-N	636.568	5.999	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2)c1	408839781	AHJBLFDVLUQUST-IBBHUPRXSA-N	524.568	6.486	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	408841697	GTZMAUQKUNILHW-KBVAKVRCSA-N	601.413	5.901	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408843578	MGAONNAZMAHQJC-PTEHHBOZSA-N	761.842	9.056	50	40	KKGB	
C=CCOc1c(CC=C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408846802	SDIHAZRNTHRULG-XSVYLIDLSA-N	519.645	6.909	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c([N+](=O)[O-])cc1OCc1ccccc1	408847446	MSFBGSYRLWZDOL-ZMFRSBBQSA-N	524.327	5.455	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408852797	IIDARLBWRYJDNW-UHBFCERESA-N	589.471	7.426	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1	408855117	DOASLBGXWIBJIQ-OPEKNORGSA-N	539.655	5.802	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCC#N)c(I)c2)cc1	408857168	LEQVYLPAXDKGEJ-LJUMEUDFSA-N	639.291	6.486	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1	408861736	CMNAKANOMKHAMS-IPPBACCNSA-N	608.942	5.223	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408862832	MUBOFUFSQJJSNL-KEIPNQJHSA-N	593.080	5.776	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccncc1	408868411	QBJWXPSSIGHQEX-MUXKCCDJSA-N	539.227	6.103	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1Cc1ccccc1Cl	408877350	VGORZBAURANXMO-WOJGMQOQSA-N	530.249	7.291	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cc(C)cc(C)c3)c(OCC)c2)cc1	408878315	AFSFLGRRGHOAMP-OEAKJJBVSA-N	505.014	6.879	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OS(=O)(=O)c1ccccc1	408887619	POLBSEOEOLAYOL-OQLLNIDSSA-N	548.360	5.224	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1cccc2ccccc12	408887715	QNAJQEAEDZDMTB-MUFRIFMGSA-N	513.644	6.280	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408893742	HFFWEWSZDSOPHE-VCHYOVAHSA-N	575.868	6.041	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Cl)cc1Cl	408943281	HKRLIHQZABWNGM-WJOKGBTCSA-N	667.615	6.186	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)c(OC)c1	408957762	VSRBKRVYMGYWSL-AQYQBHCBSA-N	746.571	5.818	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(I)cc1	408964319	QSQWHGVBTZMJRH-XKJRVUDJSA-N	680.202	6.266	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1cccc2ccccc12	408966979	ONLNSLIOUAUBHK-KPGMTVGESA-N	546.396	6.355	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408980507	ROJCNJKJOXQOIG-PXGAOIJESA-N	542.976	5.068	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409004668	XYYNUPWNIFKBHW-COBXIUJNSA-N	613.424	5.992	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br	409019545	UARDIVFCILCNIH-OPVMPGTRSA-N	514.159	5.208	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(OCc2ccccc2F)cc1	409024465	YQHJCARBKXKUIO-HQDYHJHZSA-N	522.580	5.890	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409080064	DEIMVZXEHHHMBY-VCHYOVAHSA-N	651.379	7.572	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1O)c1cc2cc(Br)cc(I)c2o1	409102883	FODRPDVYYURKRC-AERZKKPOSA-N	689.867	5.637	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1cccc(Cl)c1	409104107	DPBNYPHBZOGZNI-DEOSSOPVSA-N	555.812	6.027	50	40	KKGB	
Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1	409156277	NIZSKQLSHZOITL-XKJRVUDJSA-N	592.277	5.479	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1c(C)cccc1C	409159625	OGHFMJNRYWVMBC-VFLNYLIXSA-N	571.859	5.134	50	40	KKGB	
Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c(C)c1	409159721	WPBLEEJBSPEBIU-AMVVHIIESA-N	565.468	5.098	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C(F)(F)F)cc2)cc1	409165854	AWUYKVCNHNZJOM-VWJSQJICSA-N	619.394	5.139	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)NC1CCCC1	409190911	BHGKAYVZCBLNQX-BOPFTXTBSA-N	506.771	5.489	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)c2)cc(OC)c1OC	409225740	OLKUGLNGLJIBCG-UHFFFAOYSA-N	725.390	6.781	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1	409226148	PEXDSYMAMRGJRN-MSXFZWOLSA-N	547.159	5.103	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)cc1	409226507	TZMFCMBEUNPOHU-LICLKQGHSA-N	603.698	6.737	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)NCCCc1ccccc1	409228534	BHFKXIVWMHCXFV-MTJSOVHGSA-N	599.279	6.355	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	409255683	ZKDRMIMQWSWJRU-FXONECCMSA-N	588.445	6.816	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1	409259203	XEQNSPMHXYEMSJ-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409260024	JKUNATUGIDQZAS-MBTHVWNTSA-N	571.415	5.088	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)ccc1OCc1ccccc1	409320278	AOKGQYMZCLKIHE-KMUKQRDJSA-N	637.958	7.822	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccccc1	409357480	QMDBXDOLTKEJKG-BRJLIKDPSA-N	616.624	5.892	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12	409362006	QWKWCASWYLIKDP-LQNQUEJISA-N	517.423	6.191	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3F)c(OCC)c2)cc1	409369232	AEPNHDFPKNDYNE-CPNJWEJPSA-N	582.426	5.949	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	409372756	JGEOSKUPOYILRY-XAZZYMPDSA-N	543.834	7.160	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc1Cl)Nc1ccccc1F	409385797	KNYIVORDBAWPHJ-YPXUMCKCSA-N	599.638	5.491	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1cccc(F)c1	409394110	VVNOWKAWMQZYPW-LSCVHKIXSA-N	503.286	6.221	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1	409396649	ZSINVTPQRVYFPJ-UHFFFAOYSA-N	620.425	7.908	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OC	409406500	WXWSNKXGYPGRJN-MWLSYYOVSA-N	503.555	5.056	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)o2)cc1	409407074	YTGFGZUHZAWLLD-QMRORBIVSA-N	722.390	8.042	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)CC)CC[C@]4(C)[C@@H]3CC[C@@]12C	504187309	GBVDXIUBLNGDMK-CKKODAGSSA-N	535.651	9.401	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12	1529547306	KOCINOUPSBLDPJ-FXOQEBJASA-N	630.170	5.536	50	40	KKGB	
O=C(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)Br)C(F)(F)F)C(F)(F)F	1772820745	HRMNXIPBCXQKQH-GBXIJSLDSA-N	508.959	5.145	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	1258206	KIUBRGOSSJKPOD-VWLOTQADSA-N	519.026	5.948	50	40	KKGB	
Cc1ccc(NC(=S)NNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(C)c(C)c2)N3)c(C)c1	2793940	AGUBKZSRNPFQBR-CTNGQTDRSA-N	516.593	5.408	50	40	KKGB	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	3223256	FASOSCYVFHGAAS-GHRIWEEISA-N	502.577	6.300	50	40	KKGB	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccc(F)cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6089777	VWDTXEBNSJBNJV-BQJLFWIDSA-N	544.004	7.079	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)ccc1I	9259092	QLHDAEUVXBUFRO-JFLMPSFJSA-N	507.375	5.924	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccs3)cs2)sc(C(=O)OC(C)(C)C)c1C	13750081	YMSWKELURQGEHO-KAMYIIQDSA-N	501.655	6.350	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1	20233375	INFBRUMFMMFXIC-CCVNUDIWSA-N	509.937	5.089	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	33353494	AQVGZBMCWQSLKA-UXHLAJHPSA-N	563.035	5.716	50	40	KKGB	
Cc1ccc(OC2=NP(Oc3ccc(C)cc3)(Oc3ccc(C)cc3)=NC(C(Cl)(Cl)Cl)=C2C#N)cc1	97976764	HTSWPECRQZNEOM-UHFFFAOYSA-N	560.805	8.655	50	40	KKGB	
CCCCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	98000132	SDKFQFFOFVLCFP-MUUNZHRXSA-N	558.729	6.634	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1)c1ccncc1	100038422	CHGKYUXZNLEDKW-OPEKNORGSA-N	582.046	5.352	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1	100062729	VMMJCWJMLVUDKN-QFEZKATASA-N	502.206	5.483	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CSCc2cccc(Br)c2)c1C	100100643	BRDQUCPEIWGAQU-KKMKTNMSSA-N	563.359	6.619	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2cc(Cl)cc(Cl)c2)cc1	100138871	BXFWRQGSCCSVCX-KKMKTNMSSA-N	545.275	5.954	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	100330355	MGHYUUQGKYERPA-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332028	GJHIBXPTZLYANE-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccccc2)cc1	100350267	QBAYOGLTIOYHNS-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)cc1	100753720	DCLCFNQRKMLFQM-HKBQPEDESA-N	578.694	6.025	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1	100852120	SOYPUBJYQMAEJU-UZWMFBFFSA-N	557.720	6.272	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1	100991075	PHSDKRNJRVLTAM-OGCOBRASSA-N	601.353	6.541	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(Br)cc1OCC(=O)Nc1ccccc1	101620590	ZMNQDEJKPJKLAC-JCMHNJIXSA-N	548.437	5.131	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	136983233	RIIVLKKPNMNMKI-CPNJWEJPSA-N	504.815	6.960	50	40	KKGB	
C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341155	FHHQRQZHRFATJI-VKHMYHEASA-N	838.074	10.386	50	40	KKGB	
O=C(OC[C@H]1O[C@@H](Br)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	150351633	WISFGQOOKBVKPD-ABVIYVDXSA-N	659.485	5.640	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)cc2)cc1	150386941	UVKUARSWFNZCJB-FNTLCPBMSA-N	638.189	7.695	50	40	KKGB	
N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1	150452479	KHUMTGXKKOJHPW-UHFFFAOYSA-N	653.664	5.183	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccccc1Br	164577249	JDTUUYMGXGGRFE-OPEKNORGSA-N	706.072	5.909	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br	408537097	CCRGVQCBVQCQJA-LFIBNONCSA-N	524.228	6.855	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408541980	INHYPCOZUUTDIX-NVMNQCDNSA-N	590.257	6.977	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	408550943	KVSUWUWJNBBQSM-DHDCSXOGSA-N	545.402	5.222	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(Cl)cc1Cl	408552338	RSEOMLSWMUISCZ-GIJQJNRQSA-N	631.379	8.091	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553437	ZBGYAGGWLBKSAH-RQZCQDPDSA-N	587.326	7.693	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)c(Br)c1O	408569579	OSBICSKKZAKACL-AUEPDCJTSA-N	576.332	5.324	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	408570949	ZSOWXESXVHAKED-VFLNYLIXSA-N	659.398	7.185	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(Cl)cccc1Cl	408616079	VMGHVAWHEQVEDN-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O	408643108	ORZGSSMFUGKDNL-OAQYLSRUSA-N	533.770	5.666	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Br)cc1	408643409	FWHXHQAKORBHPQ-BBCKRIEKSA-N	708.028	5.774	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408650232	LZEZPJHNHKGXAL-WFXMLNOXSA-N	519.812	5.182	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1cccc(Br)c1	408719688	PECFRVRLMQHWCA-SEPVPZSASA-N	576.450	5.416	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c1	408742084	PCBBWGXESPGQAK-MOSHPQCFSA-N	525.390	5.952	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(I)c1	408742432	AINCBODUUDKHRR-BOPFTXTBSA-N	546.206	6.007	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	408745101	JTELMHBRABPVGT-FYJGNVAPSA-N	547.836	7.389	50	40	KKGB	
N#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I	408746190	CBDMYFDFGBJKOS-GHXNOFRVSA-N	587.009	5.264	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1I	408747610	QIFZCCBPRCRULM-OPEKNORGSA-N	671.198	5.444	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)C(C)C)cc1	408758713	PQLQDSSNJLMQCK-ILGHHZPFSA-N	687.454	6.705	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(I)cc1	408762251	NVLFKNWAXLXDGZ-PTNGSMBKSA-N	654.236	5.275	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1c(Cl)cccc1Cl	408769363	RZIZQHAAIILHGW-YBEGLDIGSA-N	564.238	7.418	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	408774467	VWFVPKVZPKQQAO-NDZAJKAJSA-N	592.471	5.014	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1	408790162	ULHMSJMPLBPKDK-YBFXNURJSA-N	649.254	6.494	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408792791	COXUTGBUZQWKFD-VIZOYTHASA-N	709.536	7.981	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794365	IDCRLPNDGGZOCQ-XIEYBQDHSA-N	518.016	7.468	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)cc1	408796765	PBNNSLVSBYRTDD-DEDYPNTBSA-N	586.813	6.246	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408809163	QVEJQVQNGLHALM-MNOULKQQSA-N	631.308	6.816	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408819151	ZTHPSURRZBTONF-AAPHRLRXSA-N	637.155	8.336	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)COc4c(Br)cc(Br)c5cccnc45)c3C)sc3c2CCCC3)cc1	408819741	SSSUDGREZVCMAG-OCUJFKKWSA-N	749.529	8.197	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408829115	OELBWZOJFYZABM-BWAHOGKJSA-N	525.630	5.833	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccccc1	408829829	XMDKWWRDMOBOME-TURZUDJPSA-N	518.613	7.097	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408830804	PWZZASCISKETBP-HZHRSRAPSA-N	547.413	7.836	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408837906	APKUJLIGDXKNBZ-PTEHHBOZSA-N	714.842	9.214	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1cccc2ccccc12	408839472	SWBMFHMQJCFZFM-LALXJTNGSA-N	738.651	9.362	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408841983	HNIQXYGUGVJKQN-YSYOEVFLSA-N	757.481	9.515	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC	408843853	SPGBZSBIDJRWEY-LUOAPIJWSA-N	557.392	5.768	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(I)cc1	408845344	WBVUSIAKRQOCRT-IIHBXENTSA-N	745.359	7.553	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccc(Cl)cc4Cl)c3C)sc3c2CCCC3)cc1	408853324	NLFSMBXNSTVDSL-MHDJOFBISA-N	579.553	7.666	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	408863170	LOXOQYWQFWWZAL-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408863689	OMMYPCCEOVFPMS-KULFSUQXSA-N	679.504	6.375	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	408864351	UOMSJLFLOLCIIP-ALQBTCKLSA-N	687.012	6.434	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Cl)c2)cc1Cl	408875277	IMEKLHLVUIFIBN-VXLYETTFSA-N	500.223	7.201	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1c(C)ccc2ccccc12	408876550	PYMRCWDOAXUPCA-HYARGMPZSA-N	514.984	7.464	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1Br	408878959	BYNFHYBUJAKOPS-GZTJUZNOSA-N	512.201	6.475	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(C(=O)O)cc1	408879923	GCJFZFZKZCNMHU-RQZCQDPDSA-N	590.655	6.688	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408884018	VPBUHOISWTZJSZ-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408884850	VQJINVVTXCUVGW-LPYMAVHISA-N	566.439	6.452	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)ccc1Br	408904408	JBCBRMNREWZIFE-ACXHZZMFSA-N	549.444	7.039	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCCOCCOc2cccc(C)c2)cc1	408974098	XEPKIARGSUVYKU-HAVVHWLPSA-N	535.438	6.086	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCCOc1ccc(C)c(C)c1	408974441	ZEJUAVMKRKEGAV-OEAKJJBVSA-N	535.438	5.756	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc(Br)cc1	408986476	MERVXMSUNMQLAY-UCQKPKSFSA-N	565.895	7.663	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cccc(Br)c3)cc2I)cc1	408999131	WNFSZDFDLWFLIJ-KBKYJPHKSA-N	705.084	5.699	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409001120	GZSNETHVLFYSIE-UZWMFBFFSA-N	521.573	5.629	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OCC)c1OCc1ccc(Cl)cc1	409015495	SHSHMRDOCUZXFW-VWJSQJICSA-N	693.763	7.923	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409018714	YOSUVCKMOVTJBU-RQRWGXNHSA-N	725.478	7.565	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409019481	ZJGGMINUCHIPMW-BIKKEBSBSA-N	624.782	6.166	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	409032718	MUDLOQBNGKNTEA-FDALDRLYSA-N	582.729	8.667	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12	409040497	YJZVSZJMQFGDHE-DPNNOFEESA-N	526.423	7.552	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccccc1Cl	409070976	PNSAMTZZTPEIGA-HYARGMPZSA-N	540.969	7.611	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl	409089899	LAQMYAWUDZOKNA-LGJNPRDNSA-N	519.770	5.086	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	409091498	QVYUJJLSMGCTMD-OQLLNIDSSA-N	511.244	6.030	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1	409110206	UGXDEYYMYLHLOB-MZJWZYIUSA-N	540.856	5.391	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409185510	ZKOKCEYVLBEDPR-FADJLKOXSA-N	623.562	6.598	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)nnc1-c1cccc(Cl)c1	409194064	MZYRMXCVCIKRHH-NUJZUDFISA-N	581.441	6.841	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c2)cc(OC)c1OC	409220217	ZLNOCQJBSBLOHG-UHFFFAOYSA-N	711.363	6.473	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc1	409222287	CAXUATXPDGRIPG-WQNDEMGJSA-N	564.554	5.238	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	409232108	OATIPHAXRWWUND-ATDKOCKZSA-N	544.311	6.042	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409251866	ACIRYLVIKRBBQS-UKKBHZCMSA-N	604.545	6.275	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	409253467	UTAHZPBIUJBMOS-RRAHZORUSA-N	507.609	6.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccccc1C	409259060	ZHFDPNVLTPLYCD-LPYMAVHISA-N	562.464	6.336	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)cc(Br)c4OCC(=O)Nc4ccccc4C)cc3)cs2)cc1	409263725	NVZVELDENRADTH-RODHXAHZSA-N	733.486	8.477	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OC	409303954	PDQROYFAGRZRSB-MBTHVWNTSA-N	656.882	5.058	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1OCC	409316959	NXWOXBSTUVOOMQ-MNDYBZJGSA-N	519.400	6.663	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)ccc1OCc1ccccc1	409321387	GEABUQKSTHIUBU-UCMJSZAQSA-N	609.100	6.248	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409321497	SZAVEVKGGUMKAC-UXHICEINSA-N	568.866	5.155	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409331105	CMWXKFGEUGHZNW-ULPWCQAASA-N	598.328	5.958	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccc(Br)cc1	409367775	GEUVHCNKLFUKDY-JMIUGGIZSA-N	571.212	6.577	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1C#N	409371898	BKAAZKZTXICDGC-OKCVXOCRSA-N	514.379	5.825	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409381584	HEBBJEOOEUJXDT-AEVGBRMKSA-N	702.606	7.944	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCc1cccc2ccccc12	409381720	VUEBUVQKKUYJFT-QRVIBDJDSA-N	530.422	6.286	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3OC)c(OC)c2)cc1	409387841	SBMZMEOTBBOYHN-CPNJWEJPSA-N	535.984	5.319	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409392527	QAYIGAMEJFTAAV-IUXPMGMMSA-N	573.274	7.683	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccccc1Cl	409394575	CJFUKWYEWYNMIO-UHFFFAOYSA-N	657.351	9.041	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(C)=O	409395185	KTUVEKABXRYRGW-UHFFFAOYSA-N	814.281	8.048	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409395552	OZRDEGONXXVIOE-UHFFFAOYSA-N	676.752	7.868	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409396879	CJGTXJUQQSLFFM-UHFFFAOYSA-N	610.856	7.926	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397235	HRNLKCGFIGHNNY-UHFFFAOYSA-N	591.624	6.191	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)c1	409397495	KLKOEQBKNSHKGV-UHFFFAOYSA-N	576.867	8.087	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)o2)cc1	409405137	SGXGCGOIEMHZBO-KYHGBAKBSA-N	551.559	6.126	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409407039	YPLFSVRUEJFCHU-KWQVAVEISA-N	655.151	7.408	50	40	KKGB	
C[C@@H](N[S@](=O)C(C)(C)C)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C	1857795031	HUPHIJGZTJYATN-CCPAGJRDSA-N	541.697	6.989	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1	1790448	QPAUPVFPBROVGY-YMGIJWJESA-N	508.430	5.736	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C)c(Br)cc1C(C)C	2080840	NFWJVOKARULQBZ-BHGWPJFGSA-N	512.242	5.571	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	2323592	GLLMPBIYQCRSPX-FYJGNVAPSA-N	505.368	5.834	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C\c3ccc(Oc4ccccc4)cc3)c2=O)=C(C#N)[C@H]1c1ccc(Oc2ccccc2)cc1	2604366	BVAJYSQKXPPHMR-OYBLHVSXSA-N	566.642	5.446	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1	6137124	ULUHIJCVIGEBMD-MHZLTWQESA-N	513.594	5.785	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)c1	9310964	QSFXZOBPEPKBGQ-HHHXNRCGSA-N	510.619	5.402	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1	27500010	CJWWFFNCPFKIPQ-KPGMTVGESA-N	513.956	5.677	50	40	KKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	28214191	UVGAPBWVGBCQTE-NKZWWHGNSA-N	502.423	5.642	50	40	KKGB	
Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c3ccccc32)cc1	59336642	DGOYKHRZIBDJSE-AQTBWJFISA-N	503.389	6.441	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1Oc1cnn(-c2ccccc2)c(=O)c1Cl	98046123	SBZFREDIMFHSHO-JOCHJYFZSA-N	595.837	5.264	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1	98048778	UBKAIABOXRZXJX-GDLZYMKVSA-N	570.671	5.506	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Br)cc1	100119530	IBBRMTGOUSHDGC-UXHLAJHPSA-N	579.520	5.587	50	40	KKGB	
C=CCOc1c(I)cc(I)cc1/C=C(\C#N)c1nc2cc(C)ccc2[nH]1	100144283	DMTAVPYTKBTREO-RIYZIHGNSA-N	567.168	5.710	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl	100226574	KECSGQKXNCHTRX-ZDLGFXPLSA-N	603.800	6.376	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccccc1Cl	100325876	YHEYZQMHPNMYBC-RPPGKUMJSA-N	532.778	5.671	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cc(Cl)ccc2OC)=C(C#N)[C@H]1c1ccco1	101305269	QBYFOESLMIIIGQ-DEOSSOPVSA-N	550.036	5.710	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCC(=O)N(c1ccccc1)c1ccccc1	101620159	YERSVRBNIDOPBT-ULJHMMPZSA-N	596.481	7.056	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C(C)=O)cc2)N=C2CCCC(O)=C21	102533438	XNZLTJFHUNSRKX-AREMUKBSSA-N	501.608	5.929	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(F)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	102760609	XUCSAWGXTCCFLO-AREMUKBSSA-N	560.607	5.302	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(F)cc3)=C(C#N)[C@H]2c2ccco2)cc1	102808496	DGCZZXFGCJCOGZ-SANMLTNESA-N	532.597	5.524	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(OC)c2)NC(C)=C1C(=O)Nc1ccccc1	102809834	XOODMURTEBRZDG-GDLZYMKVSA-N	554.672	5.800	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	103888517	MMGLVUYVCRVMFI-XKZIYDEJSA-N	532.394	6.519	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1ccco1	112254506	TXQQVRSNVOQTKN-OWXSLZCQSA-N	566.411	5.009	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341928	NALPKJXIJYPLIO-NRFANRHFSA-N	740.511	12.961	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(I)cc1	408542603	KMIRBEIYPOBDTF-GRSHGNNSSA-N	694.263	6.117	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408551291	JYPXTRNBFSXRRU-ZMGVVAQMSA-N	621.359	7.279	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1	408568136	IBXJTJXCDPCABM-RWPZCVJISA-N	586.533	5.474	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1OCc1ccccc1	408569286	MUBDEABNMMNSAR-ZCTHSVRISA-N	548.730	6.401	50	40	KKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)c1	408570194	SQTBKHDPCZIXDJ-LQKURTRISA-N	523.680	5.279	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1OC	408583684	WLOREMKPWQPAHB-LDADJPATSA-N	500.370	5.298	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408646700	UEGBVXUMWZVMQQ-JVSBHGNQSA-N	743.257	6.436	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCc1ccc(Br)cc1	408710706	GPGCINMNBAQMEJ-RPPGKUMJSA-N	583.195	5.544	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408734914	LKIRHZNKONRHLZ-RCCKNPSSSA-N	531.837	7.689	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408740382	FYABZZPGKLRAGP-HWLOXFRGSA-N	623.625	8.184	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1	408741210	KQFSRLNDDKQYSN-RQXXSLPSSA-N	569.108	8.636	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(F)c3)c2-c2ccccc2)cc1	408744090	WLCIXMZCDCHMLN-PPOKSSTKSA-N	503.577	7.113	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408748093	YHMYPOCDRQXIGN-OJYCWLPVSA-N	599.912	7.221	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408748275	BEMULRXXXUELGK-WKULSOCRSA-N	568.265	6.716	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	408775436	GZEVJKPODDNSQC-MUFRIFMGSA-N	568.961	5.311	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1I	408789975	SXJGDCNRVRTIBR-NTUHNPAUSA-N	554.138	5.072	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408791603	ZIHCZANUHAKPTL-VCHYOVAHSA-N	652.124	7.249	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(OC)c1OCc1ccccc1C#N	408793277	DRTBTSYJWPTBLU-OEAKJJBVSA-N	528.406	6.183	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)c1	408793813	GTLTYNLJTBTSFG-UDWIEESQSA-N	587.255	6.795	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)cc2)cc1	408794075	HIZDRMHSAYIWLE-RCCKNPSSSA-N	552.368	5.593	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408807516	COCFNVCGLRMBJT-LCZLODCLSA-N	597.115	6.997	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	408815417	QEGKHBRJPBNHHB-YZSQISJMSA-N	509.005	7.352	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408824413	QCVPMCZEZJPNPZ-HZHRSRAPSA-N	574.420	7.605	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408826039	KLTRFVJKQXHULX-MFKUBSTISA-N	662.378	8.232	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1cccc(Cl)c1	408826265	LCAYWRSDBYQYKL-PCLIKHOPSA-N	573.476	8.096	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)cc1	408827446	HLYYUTSMFMQAKO-GXHWNICQSA-N	574.102	6.417	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OCc2cccc(Cl)c2)c1	408829387	FRUVOJWWLOUPJM-OEAKJJBVSA-N	593.894	8.359	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cc(Cl)cc(Cl)c2)cc1	408831696	OVTGJETZYBMBEA-ROPCREHHSA-N	638.404	7.362	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1cccc2ccccc12	408842050	IDDYSMYZSDDCRK-CHSHITCJSA-N	677.624	9.129	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1)S(=O)(=O)c1ccccc1	408842387	OMUKOJYJPDGHTC-UACWCTJZSA-N	674.222	8.540	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1ccc2c(c1)OCO2	408842919	KMBXUJBLRHUVNL-VWJSQJICSA-N	570.074	7.107	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408844980	XJTUKCOETGNVFD-NDZAJKAJSA-N	537.682	5.145	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc2ccccc2c1	408853305	NGSKKCFTEJHQDZ-ZMGVVAQMSA-N	577.862	7.744	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(Br)cc2)cc1	408856435	HDMASRBWCXAIJM-FDAWAROLSA-N	637.512	5.590	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(F)cc1	408857651	VNXQNHPPSWXGCO-UVHMKAGCSA-N	565.237	6.484	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)c2C)c(C)c1	408860133	WBQNRWTVDGMMBK-VVEOGCPPSA-N	555.022	5.299	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2cccc(Br)c2)cc1	408860972	JVBUXVKWHFDXTC-KBVAKVRCSA-N	597.510	5.650	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1C	408863031	OKJMXGXEPVUNNP-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	408864557	XKOPUZRPJQUNPH-VTNSRFBWSA-N	643.991	6.173	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408866371	FGUAGMDZBLEYON-NSKAYECMSA-N	598.193	5.924	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408874790	AUQIWXAKCZECDR-FYJGNVAPSA-N	597.409	6.285	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl	408882188	LPFVRGYXXOONBB-LUOAPIJWSA-N	562.306	5.624	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3c(Cl)cccc3Cl)c2)cc1	408885964	BZDZTWXEVIIOIA-CPNJWEJPSA-N	525.388	6.303	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1	408887977	VTNLQMLEWCATLB-HYARGMPZSA-N	527.374	6.425	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408893783	FPKNRDQRIFKLMY-VCHYOVAHSA-N	541.785	5.934	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C)c1	408913301	SRZAUNQMLYNINK-WCMJOSRZSA-N	508.449	6.786	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408923852	KQIBYUOKTXHQEL-FMFFXOCNSA-N	593.746	5.796	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408926754	YEHOTQKEQQNEFM-SFQUDFHCSA-N	530.389	5.265	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2cccc3ccccc23)cc1Br	408947540	NXFCDFFXYUJSTA-XIFFEERXSA-N	717.642	6.075	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408965284	JWBGUHFQFQBDJY-RPPGKUMJSA-N	528.746	6.100	50	40	KKGB	
CC(C)COc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1	408970879	AABUIDMUIHENNM-OZPYPADVSA-N	556.490	5.673	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408973121	ZARHBFMRKPRBDT-XSCROPPNSA-N	540.447	5.203	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccccc1Cl	408976149	PQUZQQBFTNGRAM-KBKYJPHKSA-N	564.763	5.025	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccccc1	408976256	AFFRBULZLNGULD-BFGIPYBGSA-N	571.699	5.533	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1	408996265	HAYKFNMOINUGBF-ZCTHSVRISA-N	552.543	5.229	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Br)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408997385	OCBVLEULCQXPBU-PXNMLYILSA-N	646.988	8.933	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408997906	PCULWXYKYDIFED-BSSSHPOFSA-N	534.528	5.230	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	409004879	FWQOAEYCHDRMKC-PWQQBKHXSA-N	538.987	6.250	50	40	KKGB	
CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	409010238	BPCDOUXYOUKILI-RJEICEEESA-N	531.056	5.403	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409014530	MTYZKUUTGMNQQV-RZDBQFLLSA-N	665.445	8.301	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409082809	SZAHKONJNCLMAW-RQZCQDPDSA-N	545.901	7.230	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1	409082851	JSUJCHHPKDSAGV-RIYZIHGNSA-N	555.818	7.624	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409219896	RKAUYKYSOJMAAM-CXUHLZMHSA-N	575.246	6.328	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409225015	NXUSIWMHNXFCPR-GCAHPBPFSA-N	692.320	6.755	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1cccc2ccccc12	409230659	FCIHMFRYVNTLEE-ONUIUJJFSA-N	602.472	6.688	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl	409254032	COFOGYFLSFOPBM-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409256152	JZIWGMGERJIYCL-GZOMZLSJSA-N	712.670	8.422	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	409257808	QHTVPNAJDRSEBP-GIJQJNRQSA-N	651.277	7.410	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl)Nc1ccc(Cl)cc1	409267914	WSOCXRZMEOEQDK-DLCNMLRHSA-N	616.530	7.642	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br)Nc1ccc(Cl)cc1	409270289	OVJXDPDOELGFMU-BCHBDCPOSA-N	600.094	6.300	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OCC	409309458	HOYBABDDHPEGDJ-LJUMEUDFSA-N	634.898	6.650	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)C[C@H]1c1cccc(Br)c1	409318408	WKIBCTYCYGRPAC-AWEZNQCLSA-N	510.335	5.178	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409337261	SYJGSPAXBDETEC-LQNQUEJISA-N	511.651	6.931	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccccc2C(F)(F)F)c(C)c1	409373013	SBCVRXPZVHTQBH-LJUMEUDFSA-N	531.600	5.014	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OCc1ccccc1	409380853	POWZKDANWHZLJU-MTJSOVHGSA-N	541.389	5.365	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409391206	HUNGVGADRUYNPI-MZFJOGFUSA-N	635.458	6.459	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395800	RWRYNZAAODRYJX-UHFFFAOYSA-N	788.190	7.856	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4F)c([N+](=O)[O-])c3)o2)cc1	409401823	IFRBTKVERCWFAL-HQDYHJHZSA-N	582.588	6.656	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3cccc(F)c3)o2)cc1	409407212	ZCWPIPAGJGPLES-RODHXAHZSA-N	650.932	8.164	50	40	KKGB	
COc1cc(Cl)cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1	1531386417	KQWJDTBNFVFVRX-XZYGTATASA-N	584.072	7.271	50	40	KKGB	
Cc1sc(Cc2ccccc2)nc1-c1ccc(/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1	1703352	BIHJRCMZBMKAMK-AJBULDERSA-N	508.518	7.744	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1834531	CYDSUPPCLZJFFR-FMFFXOCNSA-N	539.749	7.080	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1	2068701	CSHIHBBBWFFRMD-ZELTYQKZSA-N	532.431	5.529	50	40	KKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1	3090236	MMDWFWSYPDWCSQ-MUFRIFMGSA-N	502.368	5.384	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	3116512	VEGBIOKIPFMRAQ-LUOAPIJWSA-N	584.623	5.752	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OC	3301396	KFFMMXHTWRPFQW-BIZUNTBRSA-N	519.605	5.728	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccc(Cl)c(Cl)c1	12556020	HGWVKFQEVCIPLM-LZYBPNLTSA-N	514.321	5.740	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	96487974	DBUPZSBDKJKGCB-IDUWFGFVSA-N	503.194	5.094	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccc(F)cc2)cc1COc1c(Br)cc(Br)cc1Br	97969067	VDNVRWKMHDOTME-RRDBNTQTSA-N	795.218	5.590	50	40	KKGB	
CCOc1cc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc(Br)c1O	98048420	LDFJFZGGEGXJJB-OAHLLOKOSA-N	534.863	5.735	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc(F)cc1	100063478	BQBFOIYSGFMLGF-CCVNUDIWSA-N	564.249	6.021	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1O	100063538	VQPRQNVZQWLCKX-NJZRLIGZSA-N	548.064	5.904	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1OCC	100228930	ZJHYIOLGIXCORD-RDRPBHBLSA-N	542.057	5.034	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	100336156	FEOJJMNABIGNEK-OCKHKDLRSA-N	560.275	7.506	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1	100852225	PSVDMFKZXMMGPO-MUXKCCDJSA-N	571.149	6.314	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1	101178608	BFGHEDJFHVAKMB-GOHCDNDPSA-N	601.353	6.541	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccc(C)cc3)ccc21	101505078	RIPPMFOSEBJEHW-SEBMTOOBSA-N	600.792	7.910	50	40	KKGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)c(C)c1	102580147	JTYAQTKBJPVAHY-VWLOTQADSA-N	520.098	7.543	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)C(C(=O)Nc2ccccc2OC)=C(C)N1	102719524	VYDXVDKYKGLYPJ-GDLZYMKVSA-N	556.663	6.103	50	40	KKGB	
COC(=O)/C(NC(=O)c1ccc(C)cc1)=C(\Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102921148	MIGJMWXKBGJKQC-DQSJHHFOSA-O	514.969	5.300	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OCc1ccc(F)cc1	102934431	OLVDMCKAHQCOOF-LZYBPNLTSA-N	607.763	6.125	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1C#N	103890488	DGKZWSLNNXFPAT-GRSHGNNSSA-N	571.258	7.151	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCc1ccccc1Cl	105410640	YNXICOCVPAIGGY-JAJCKILOSA-N	566.867	6.199	50	40	KKGB	
CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341728	UFYMTXMHXJQRQQ-INIZCTEOSA-N	670.376	11.010	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)CSc3nc4ccccc4s3)C2=O)SC1=S)NNC(=O)CSc1nc2ccccc2s1	195799109	JQTGQPPCPHFHOH-QVIHXGFCSA-N	933.270	6.138	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1	209404515	WRAHREDLONAJSP-DJKKODMXSA-N	501.193	7.302	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)OC)cc3)cc2OC)ccc1OCc1ccccc1	408537149	CGQXQTQPMNUNMS-VEILYXNESA-N	592.648	6.584	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)ccc1OCc1ccccc1	408539854	KCMQPFPIJSVPMU-DLCNMLRHSA-N	628.350	8.077	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)ccc1OCc1ccccc1	408540271	PKWUEIUFBKOYOG-QFEZKATASA-N	603.502	8.104	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408543931	TZKQZCQGDCLKFO-OCKHKDLRSA-N	566.364	5.579	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551212	JKWQEXJIRATWPR-VKVKMMGJSA-N	617.942	7.259	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551599	OKYGBUMWYUBEOC-CIAFOILYSA-N	741.392	7.986	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1I	408722625	MLNOXWZRWQBDKK-ZMOGYAJESA-N	582.179	5.378	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1	408725670	MFKMTVNYZIGKMJ-MOSHPQCFSA-N	507.384	5.981	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408726511	SGPWWRPZSBXIBY-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(F)cc1	408745380	RDSUXGLRLZZVQR-ODLFYWEKSA-N	542.348	5.872	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408746185	CACOFCUBBMRJKZ-KYHGBAKBSA-N	584.297	6.721	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1I	408746240	CUKOCHGJLVZASN-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408752603	FFVAHOOIVORWTR-STBIYBPSSA-N	614.461	5.683	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(I)cc1	408754763	RMFQHBCIIREVDG-WJDWOHSUSA-N	592.220	6.161	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cccc(I)c1	408763122	NOJKACMYKZBPGO-PXLXIMEGSA-N	530.365	6.569	50	40	KKGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OCC	408776330	YRMQANICKXTBLQ-WQRHYEAKSA-N	504.368	5.641	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408784766	XFYDHXGPFLPYKZ-OVVQPSECSA-N	532.087	5.196	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408789203	HNUSWTCIRLGTMQ-GIJQJNRQSA-N	656.145	8.048	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	408789770	LEINCVYVQSARRI-YBFXNURJSA-N	668.700	7.236	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(I)cc1	408790473	WLXXBFYAFLAROE-PCLIKHOPSA-N	709.378	8.156	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(I)cc2)cc1	408795474	LUVBWPDNONDIQE-LDADJPATSA-N	589.227	6.187	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408799621	ZQPNYSLKDANLSE-MTDXEUNCSA-N	575.064	8.205	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OC(C)C	408803353	NWSUWIAFMVSQNC-AWNIVKPZSA-N	531.177	5.939	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2ccc(F)cc2)c1	408816054	QSRYCODYOBPGOI-KOEQRZSOSA-N	508.549	6.538	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1	408824458	QIGIVQQRXQDXOJ-FSJBWODESA-N	686.817	9.512	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408830173	RLNDZFGJHUGGCB-DYAMWBBFSA-N	579.234	6.415	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)cc2)cc1	408833425	KCNURHYMGMQTKX-ZVHZXABRSA-N	622.346	8.768	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc(C)c1OCc1ccc(Cl)cc1Cl	408849250	VSXGPNUKYUHBSE-LUOAPIJWSA-N	569.226	6.263	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408851867	AXHSDMKTSSFUQT-LMOHNTGSSA-N	638.595	9.230	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408866440	GKPZOTQZKWEZPL-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Br)cc1	408876729	QMXBCSVWBRERJF-DEDYPNTBSA-N	554.238	6.135	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1cccc2ccccc12	408880915	JDPMCHFVRQDSAP-LPYMAVHISA-N	602.441	7.042	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4)c3C)cc2)CC1	408880960	KVWYJEDJJSQXNL-STKMKYKTSA-N	521.665	5.189	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408887450	ONEHYMMWPBILOT-RGVLZGJSSA-N	570.281	6.962	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OC(=O)c1cccc2ccccc12	408888254	XZWKBRMLXIHKIE-LQKURTRISA-N	503.352	5.594	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OC(=O)c1ccccc1	408891603	TXDRXCPFHKTINO-LICLKQGHSA-N	511.759	5.876	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)c(OC)c1	408952414	KGMDAKNRPNDIMO-KEGCFKOLSA-N	691.568	6.454	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1	408969670	RTABSFFXWBSEEU-JRLKUCENSA-N	669.005	7.270	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccccc1	408978106	HAELXVXNDLXXJN-HIYJYGDOSA-N	586.486	6.048	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c2C)cc1	408978269	HNTWMPKTHKGAJD-FZEGLUMNSA-N	586.714	5.139	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC#N)c(I)c2)cc1Cl	408984361	QCPHRSWEHJEJIX-MLPAPPSSSA-N	556.585	5.464	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408996023	GMYOSLIUIIPXNT-KVAAJVFYSA-N	655.332	7.390	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc1ccc(Cl)cc1Cl	409019236	WDMGXVYWLWEPSF-VIMSVTEUSA-N	568.501	5.999	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1	409049697	XUYHJRHKGRYHRK-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OCc1ccc(C)cc1	409053104	KOVCBZMJWJRWDT-UVHMKAGCSA-N	501.808	6.071	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	409058206	SEDSFXHZJJPSDR-CXUHLZMHSA-N	610.711	6.487	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1	409073787	INMODZSUXWUCSW-XNTDXEJSSA-N	537.808	5.969	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	409088461	JRPRAJGLSLOJRI-MHWRWJLKSA-N	653.351	6.963	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	409149209	ZCFOBTVPQGQNBG-KCSSXMTESA-N	702.958	5.308	50	40	KKGB	
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(-c2ccccc2C(=O)O)o1	409172313	CDJFFGMTLSKTBP-HWSJQMDSSA-N	516.381	5.246	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)cc2c1	409187005	KSLYJXAXWFNUKS-VYYCAZPPSA-N	585.354	5.687	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)cc1	409226555	UTEBWLMFUYYYFJ-UHFFFAOYSA-N	681.337	6.464	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1OCc1cccc2ccccc12	409230145	WZTCDJOKOFFKSG-BGQFGOBASA-N	516.641	7.330	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccccc1	409230493	DUIJYUWZFHKBLX-HSGPEQJXSA-N	585.252	6.483	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(I)cc1	409247509	DABDEEIRTZBCNK-HMAPJEAMSA-N	632.420	7.562	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)cc1C	409251971	ASLWINHGNDYSFN-AEUUOICLSA-N	654.590	7.714	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OCC)c2)cc1	409260996	ZOBNLEVBOJAPDL-HYARGMPZSA-N	548.039	6.317	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(Br)c1OCc1ccccc1Cl	409271759	MTKCDXLZMJVLNN-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409271834	NUABSADKGGCJNA-JAIQZWGSSA-N	629.882	6.523	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1OCC	409301075	CVWXHRKKSIJUEY-AQLQTECXSA-N	568.284	7.607	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1OC	409310950	CVCWAYSRCKCMCD-NUJZUDFISA-N	608.714	6.781	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)cc1OCC	409335968	ZJOZUBRCAFZNQY-MNDYBZJGSA-N	634.321	6.440	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	409367841	HZVREJJUPUPQPP-QNKGDIEWSA-N	543.583	6.442	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409375444	KUTXQLZOGVRAPB-MOSHPQCFSA-N	608.445	5.206	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1	409385008	GFYAGUULDQZYTI-GRSHGNNSSA-N	561.807	5.628	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409387146	NVTAHOZFEGABLK-FJEPWZHXSA-N	567.281	6.506	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1	409387481	WSRHSCDYGYTURQ-KVSWJAHQSA-N	523.401	6.883	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1	409394590	CMZBJEKNZWFMJZ-UHFFFAOYSA-N	636.424	7.608	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397570	LJOCBIZVPPPZSC-UHFFFAOYSA-N	647.869	7.151	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)c(OC)c3)c(-c3ccccc3)c2c1	409397668	MNOUXGOXERRJHJ-UHFFFAOYSA-N	533.584	6.144	50	40	KKGB	
CC(=O)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409401056	GEMGGDUHXPYORQ-FZKWRIDDSA-N	564.642	6.363	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(C)cc1	409404165	PBORZVIHKPHIIP-WBIBEUCMSA-N	689.550	7.531	50	40	KKGB	
COC(=O)[C@H](C)Oc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409404788	RAJLGEQJQRJKBP-GYJUCFALSA-N	624.488	5.741	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	1529547375	KTTNLBPCAWWASQ-MKEMXLLOSA-N	842.348	6.280	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1	1529547893	RBZFVILISKAIRU-NJLXJUSUSA-N	673.191	5.966	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1	1529548543	ISWZPENXNOZFPQ-QNDPHOHFSA-N	804.576	5.184	50	40	KKGB	
COc1cc(Cl)cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(F)cc1	1531386414	KOTHXCDFGJEDSK-IZYHBKOJSA-N	602.062	7.410	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cn1)C(N)=C(C#N)[C@@H]2c1cc(Br)cs1	705685	RDAFEBKNKDKUAJ-GOSISDBHSA-N	534.277	5.609	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H](CSC(c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2C1=O	1626965	QWHIRBPVTLCCTH-SANMLTNESA-N	538.581	5.688	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1	2187783	IGFPYMZKUOGOHT-NRFANRHFSA-N	516.907	6.208	50	40	KKGB	
CCOP(=O)(OCC)C(C#N)=C(SCc1ccc(Cl)s1)SCc1ccc(Cl)s1	2220101	PCYGBZCEKMUPLM-UHFFFAOYSA-N	514.483	8.242	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])n2-c2ccc(Cl)cc2)cc1	2341607	AIABFNNZLIKKNE-RBGQVUTESA-N	549.012	5.412	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1Cl)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136370	JIMKMDDRROAWOA-ZDJAMIHNSA-N	546.432	7.204	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](OC)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	8692066	BKAIZLBGUQUUEI-SCYUGGGNSA-N	509.606	5.528	50	40	KKGB	
CCOP(=O)(CC(=O)N/N=C/c1ccc(OC)c(COc2ccc(Cl)cc2Cl)c1)OCC	9347800	PMHRHUOFSLMPPW-WYMPLXKRSA-N	503.319	5.297	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\C=C/c1ccccc1[N+](=O)[O-]	9762928	HXIQFYKYDFKEAF-XWCVBUNYSA-N	506.034	5.300	50	40	KKGB	
O=C(Nc1sc2c(c1SSc1c(NC(=O)c3ccccc3)sc3c1CCCC3)CCCC2)c1ccccc1	59200314	WWGCCSMVAKRLIB-UHFFFAOYSA-N	576.834	8.871	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1	96476269	LVLUCWSXRIZLMT-XMHGGMMESA-N	511.363	5.643	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	97964204	CSIXFMXGCHNKNC-PVDDBDCGSA-N	554.002	5.569	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C)=C(C#N)[C@H]2c2ccccc2)cc1	98048490	XTAFPNKWCWDMLS-GDLZYMKVSA-N	566.683	5.878	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3c(C)cccc3C)=C(C)N2)cc1	98048634	SIFBGLREBOFQEA-AREMUKBSSA-N	528.634	5.612	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F	100124084	ODTXCWRXPLDFAD-AABVJFSESA-N	607.029	6.251	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125308	CJDIPNWPJSNSMK-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCCOc1ccc([C@@H](C)CC)cc1	100229225	MHDZEFJTOWOFCS-SGOVFIMHSA-N	615.756	6.162	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc(Br)c1OCc1ccc(F)cc1	100231806	RXKKUFIGALSJMH-FJEPWZHXSA-N	612.481	5.363	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccccc1C#N	100252729	YIAMIIADRWKPKT-IPPBACCNSA-N	563.364	5.717	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2OC(C)C)nc2ccccc12)c1cc(Cl)cc(Cl)c1O	102336363	CLQBRDMFVCRGDI-ACXHZZMFSA-N	508.405	6.855	50	40	KKGB	
Cc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(Nc3ccccc3)o2)cc1	102618206	CIMCWWOXSPUYCD-UHFFFAOYSA-N	511.585	7.013	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(C)cc1	103883534	ITGNUAHQIYHPEF-JLPGSUDCSA-N	593.465	5.443	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	103889797	RKYISVWNEUURFV-CHHVJCJISA-N	556.660	8.087	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1Cl	103891058	ILSVNMZXORRODP-YBEGLDIGSA-N	520.185	7.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	104402179	XDZTWXCYHDPQPC-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)[C@H]2CCC[C@@H]2P(c2cccc3ccccc23)c2cccc3ccccc23)c1	106804794	BVCVBGLXUGAVAF-VUHBGNCTSA-N	622.773	10.350	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	110316997	ZMAIZIUYTGZLQD-WQRHYEAKSA-N	585.354	5.428	50	40	KKGB	
CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCC	150382828	WKUXMFOLNOEMHL-QGQMZZAKSA-N	736.799	11.267	50	40	KKGB	
O=C1[C@@H]2C[C@H](Cl)[C@H](SS[C@@H]3C[C@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@@H]3Cl)C[C@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl	150399412	BCRRQTMYMQMOAZ-TWOHWVPZSA-N	833.172	8.276	50	40	KKGB	
O=C(NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	150451841	MBLBUYKFHSLHRB-UHFFFAOYSA-N	620.967	6.815	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(N4C(=O)[C@H]5C[C@H](Br)[C@@H](Br)C[C@H]5C4=O)cc3)cc2)cc1	227202600	JHKJDVOEKAVXOC-QYOOZWMWSA-N	683.349	5.680	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccccc1	408532223	PYSCRWPZWSSZIE-NDENLUEZSA-N	513.229	7.253	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2)ccc1OCc1ccccc1	408538621	AQDFOZINTIHVAI-MZFJOGFUSA-N	559.460	6.770	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408549888	AXOGBDYXNWSBEW-CFRMEGHHSA-N	576.390	7.394	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)c1ccc(Br)cc1	408580191	MYHZCJJASCZDGV-WOJGMQOQSA-N	503.621	7.508	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1ccc(Cl)cc1	408580214	NBOFAINLKPEDKS-RQZCQDPDSA-N	521.611	7.647	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408586042	AXUSFWWAGBKPCM-BRJLIKDPSA-N	565.751	5.204	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)CC2=O)cc1	408602377	DGDCXYJKSXPNRO-KRWDZBQOSA-N	530.408	5.086	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c1OCc1c(Cl)cccc1Cl	408610579	OIPXWRSFETYVOA-IBBHUPRXSA-N	528.436	5.471	50	40	KKGB	
O=C(COC(=O)CCCCCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)NNC(=O)c1ccc(Cl)cc1	408688206	WLIWCMWAEVYDMJ-UHFFFAOYSA-N	609.677	5.114	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408710807	MDWWCSRRIDGHEL-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccc(Cl)cc1Cl	408723247	RYPISUFBBSSCSO-YRWAOHLSSA-N	600.889	6.613	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c1	408743630	HKEZQUXEFUDFRE-NVMNQCDNSA-N	665.225	6.237	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)c1	408743939	ILRMEPZKVAVWHU-ZDLGFXPLSA-N	638.218	6.468	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408745780	AETSZEXFIHPRMO-PXNMLYILSA-N	656.087	7.080	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2Br)cc1	408754894	OZCNDLRFLGKWMG-KBKYJPHKSA-N	621.134	6.358	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(I)cc1	408790616	XGORFTLGBRSALC-VCHYOVAHSA-N	684.699	7.073	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408833818	VFIDOERPPPZQMO-PGMHBOJBSA-N	644.964	7.575	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1cccc(C)c1	408840837	CDYXPOZPBVSJMD-MWBNBJEGSA-N	688.591	8.127	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408842333	JBNOYQHRNAXPID-MHDJOFBISA-N	677.920	7.461	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1Cl	408850793	RFYTTXNIZPZKJB-IPHFVPNQSA-N	550.058	7.458	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1	408855013	CJXKVXUDKXGROV-KYHGBAKBSA-N	559.409	7.692	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2)S(C)(=O)=O)cc1C	408857232	FLCVPMXKFSQREP-ALQBTCKLSA-N	602.688	5.190	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2I)cc1	408881502	LLEKONWHVYXFJB-MUFRIFMGSA-N	661.281	6.338	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OCc1ccc(Br)cc1	408888381	ZJWGCGCHFLAKGB-XDHOZWIPSA-N	507.340	5.281	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408952295	JYAQEXSWSJGGGG-MZJWZYIUSA-N	644.678	6.211	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2C#N)c(OCC)c1	408952499	WEGGCGXQDYVTKZ-PMERELPUSA-N	662.168	5.074	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1	408954106	YMDVXFTZGTXGJH-GDLZYMKVSA-N	726.606	5.220	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408964571	VHFWYWJIFGAGGU-YGHSGTSHSA-N	619.343	5.966	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408969360	MPHUPVGCIZEHPJ-GFNSVBDRSA-N	593.305	5.410	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(OC)c1	408970498	ALNJUBPBNXIYDY-QNHHFMTDSA-N	585.532	5.493	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	408971603	JZZRXIIXBZWDRL-AMUKHSJYSA-N	608.497	6.357	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(C)n1-c1ccc(C2CCCCC2)cc1	408977356	CZKBQXOBQKAQGJ-BMRPRGCTSA-N	572.750	6.702	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(I)c3)c2C)cc1Cl	408981868	CMADQFBHLCSCOB-ZDLGFXPLSA-N	515.782	6.206	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	408982014	FEMIFBZFLUYRGO-MTJSOVHGSA-N	556.287	7.918	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1cccc2ccccc12	408982847	FMZFINAAKHDRLN-UUYOSTAYSA-N	608.863	7.540	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408989433	KSPIJWAUEQCFEY-OEAKJJBVSA-N	531.996	6.809	50	40	KKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	408992765	BRTOWKHPDWSCIA-IBBHUPRXSA-N	719.317	6.344	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cccc(C)c2C)cc1	409028973	VWYJTCKZCKJTTJ-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OC(C)C	409030489	DPNIXWDBYXMHMV-MUFRIFMGSA-N	518.411	6.224	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)cc1	409054321	FLHMHTVBTPDCEG-LPYMAVHISA-N	576.288	7.798	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1	409059760	XLFRGAVRLBSURO-GZTJUZNOSA-N	576.266	5.833	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409085850	SRLIAWUIFAMAAB-OVCLIPMQSA-N	536.293	7.567	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2cccc(Cl)c2)cc1	409135983	XALZRFNXPZXAAW-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409146494	UKLQCURECAMIJL-HXUWFJFHSA-N	597.240	5.825	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)cc2c1	409186902	JGQBFNJCONWKPC-NUJZUDFISA-N	604.828	6.441	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1	409187514	RKQHUEMPNCPVHL-UYRXBGFRSA-N	556.254	6.735	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc(Cl)cc1	409190623	TYOIXWLFZSDUEZ-WQRHYEAKSA-N	550.824	5.888	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1OCC	409217292	BCHHGVVDAUEKGG-IPHFVPNQSA-N	600.071	6.302	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409218970	LYOICWYUYDHISQ-DEDYPNTBSA-N	519.985	5.619	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409227220	YCQCJWGYPLOUPG-JKKACPCQSA-N	666.643	5.562	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl	409251913	AJUGMRLRSPQYDL-FXMZOFOKSA-N	658.572	6.717	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2C)c1	409267014	RGQCFJXSENOEAC-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409306405	ZUERAQKUKVEBCX-MWLSYYOVSA-N	584.969	6.075	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)ccc1OC	409316002	WYUPODKRNVPFDH-MBTHVWNTSA-N	574.415	5.358	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OCC	409322033	IIUGMACRXGAUKM-LJUMEUDFSA-N	543.447	6.699	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cccc3ccccc23)c(C)c1	409372448	LTUFWKMTHBEXLC-GTWSWNCMSA-N	513.663	5.149	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409385353	JSDSSPDWCDEZMF-RPPGKUMJSA-N	506.540	5.151	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)c(-c3ccccc3)c2c1	409395339	MKNOHZZGYPLPOK-UHFFFAOYSA-N	661.350	7.660	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(F)cc1	409400379	COWZRTAEFURHDC-WBIBEUCMSA-N	626.641	7.055	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409408730	LFPNFYYSUGIOLS-DBSPGSINSA-N	666.687	6.955	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cccc3ccccc23)c1C	1529548290	ZTNGLSLHHAXSHI-YLLHDNBESA-N	595.725	5.132	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1	2199156	FSWITAMKGXHRMA-NMKRPIGBSA-N	528.594	5.149	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccc(Cl)c(Cl)c1	2229111	XWYVYYOKIASQGR-XODNFHPESA-N	543.501	5.875	50	40	KKGB	
O=C(NCc1ccccc1)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)NCc3ccccc3)c2)ccc1[N+](=O)[O-]	4066200	JTVCWELLJZLTCO-UHFFFAOYSA-N	574.640	6.162	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccccc1Cl	4196295	LXTQNHOEZPLQHW-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
CCOc1cc(C=NNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc(Cl)c1OCc1ccccc1	8443239	LODSMSLAFLRDBH-NZKVJAEZSA-N	663.558	6.549	50	40	KKGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1	8763840	STRDKVGOVBKHAX-RQZCQDPDSA-N	505.949	6.739	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(I)cc2)cc1	9310803	QFGJVJXXXMWECD-QNGOZBTKSA-N	508.359	5.978	50	40	KKGB	
CC/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(OC(F)F)cc1	12614029	JVTASVRUWICSNS-SZXQPVLSSA-N	507.946	5.286	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2ccc(Cc3ccccc3)cc2)cs1	13304066	HATOUVAWSQDWLQ-XHLNEMQHSA-N	520.661	8.318	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccc(Cl)cc2C)cc1	20206939	PSCLDIBWJCCMNG-UVHMKAGCSA-N	508.402	5.095	50	40	KKGB	
CC(C)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC3=C2C(=O)CCC3)cc1	20347732	RPHRESWXNNCONF-RUZDIDTESA-N	525.596	6.630	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1Cl	58913159	ALVMTPXXNMYEOQ-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	97962604	XJKPVFOVAIWHIH-VBNCLUCLSA-N	536.202	7.487	50	40	KKGB	
CCCCCCCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2OCc2ccccc2)cc1	98001278	LWCXIRANASMNMU-UOZKZNBHSA-N	564.726	8.348	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)cc1C	100127758	YIHZHSXZSYPVKB-ZCTHSVRISA-N	544.677	5.420	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Cl)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	100141588	MDOACVBLMPBQBV-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccccc1	100289578	NAOLORYSFGXZPP-UXHLAJHPSA-N	595.519	5.211	50	40	KKGB	
CC1(C)[C@@]2(C(=O)N3CCCc4ccccc43)CC[C@]1(C(Br)Br)[C@H]2Br	100848587	DRBPTROIDJXVOM-ZMYBRWDISA-N	520.103	5.652	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)OC(N)=C(C#N)[C@H]1c1ccccc1F	100986180	OKXCWOSRQGEGSN-RUZDIDTESA-N	553.615	6.565	50	40	KKGB	
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cccc3c2[C@@]2(CCc4cccc(C5=N[C@@H](Cc6ccccc6)CO5)c42)CC3)c1	101386746	HIVLVUWPNHHMAS-NKTCMXKJSA-N	619.789	8.245	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1	102666623	HZFJNCCYWCLYKG-SJUMRLIPSA-N	552.483	5.787	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	103898662	KRTLMAKEFSKKJI-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
O=C(c1ccccc1)[C@@](O)(C[C@@H](c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104133468	WVPFXPQQFREMBI-GKCOYCRUSA-N	578.692	7.615	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1Cl	105052126	TXEHMIOBHPLXJV-NVJOKUIPSA-N	548.220	6.854	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl	105576022	PQZFOQBCKVTSLD-VYVUJPJFSA-N	581.250	5.634	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccncc5)(c5ccccc54)[C@H]3C2=O)cc1Cl	112255807	VYLGIMAUCHKRAF-LKANYEMDSA-N	547.014	5.010	50	40	KKGB	
O=C(OC[C@@H]1O[C@@H](Br)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	150351639	WISFGQOOKBVKPD-PBIKNJLJSA-N	659.485	5.640	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)C[C@@H](I)CC(F)(F)C(F)(F)F	169795250	WGMZHQVWYXCKQY-RFZPGFLSSA-N	559.951	6.159	50	40	KKGB	
C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@@H]2O1	255986753	LYTCVQQGCSNFJU-QNIWAVQWSA-N	895.096	5.472	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408528113	RPXHUNJLJIEJSL-RPPGKUMJSA-N	552.650	5.973	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408538796	BUAGKNGBROVXCQ-OHUYPAJKSA-N	634.483	6.687	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1	408551001	ACMORMCFELFIHF-CXUHLZMHSA-N	536.640	7.491	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1	408568485	JRIKEBSGWHEOKK-MFOYZWKCSA-N	526.793	7.160	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1	408580902	FFHNBHUOERPLJI-CIAFOILYSA-N	598.437	6.097	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Br)cc1	408643415	FWHXHQAKORBHPQ-IOGQTDPRSA-N	708.028	5.774	50	40	KKGB	
CC(C)[C@@H](C(=O)O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408659080	OTBBIRFGAAYDPR-NNXNOTAGSA-N	659.393	6.681	50	40	KKGB	
O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408732164	SXFFOWVNDOASKK-XODNFHPESA-N	600.444	5.669	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)c1	408744383	KXFMOUKFBOFNNQ-JMIUGGIZSA-N	598.238	6.358	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2)c(I)c1	408745396	RKLGNJINDPSBJE-ODLFYWEKSA-N	573.228	6.487	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2I)c1	408746906	HONIHPVLDBUJEG-NHDPSOOVSA-N	587.255	6.165	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4cccc(Cl)c4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751378	JMFROTKGLRWQLJ-PAPLDOMISA-N	532.109	6.949	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2I)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408760312	WMTSBZHDJXNUPB-WJDWOHSUSA-N	592.220	6.161	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc(Br)cc1	408787198	UNKGELJHSHVXLM-ULPWCQAASA-N	586.202	6.582	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc2ccccc2c1	408791580	YZCNJTJRNCESHG-WSDLNYQXSA-N	547.836	7.389	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408792533	KOUGHVVNRAHDRB-GIJQJNRQSA-N	574.205	6.594	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1c(C)ccc2ccccc12	408805126	INAUAUIQJNXMPA-CIAFOILYSA-N	610.335	8.741	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(C)c(C)c1	408807760	HNWXBUMCKZUABY-YDZHTSKRSA-N	566.439	6.740	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1	408818245	NJHRIXYPIIWENH-GRSHGNNSSA-N	512.349	5.713	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCc1cccc(C)c1	408821518	ILOTWJBARXEBEA-CIAFOILYSA-N	506.986	6.189	50	40	KKGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408827081	CGOQMMLWSLEIAT-GHXNOFRVSA-N	552.201	5.694	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408831674	HBWGALVDIHFGBE-OEAKJJBVSA-N	608.319	8.460	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408837763	NBJXSFJUAOHQLE-PNQUVVCRSA-N	663.805	6.222	50	40	KKGB	
COC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840437	YUZJONAHGXUCPA-CCVNUDIWSA-N	520.998	5.523	50	40	KKGB	
CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408841256	DXNYQVLZXGYDSS-FJEPWZHXSA-N	599.938	7.531	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccccc1Cl	408843509	LUHOIVWHGKVIKW-XJECJHNESA-N	662.009	8.630	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1	408848759	TUZWMTRIWIFJGD-LRIZEKIPSA-N	614.543	8.711	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4cccnc4)c3C)sc3c2CCCC3)cc1	408855621	FFAFGNWQPMDIJZ-KBVAKVRCSA-N	511.651	5.754	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1	408856421	JYDBNOIWKXMRKO-CKJBABAKSA-N	625.754	8.684	50	40	KKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccc(I)c(OC)c2)c1C	408856831	LLVGOXIWWOECGR-WGARJPEWSA-N	515.395	5.342	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408858043	IOFQLGMZSPOVMF-FMFFXOCNSA-N	608.116	5.672	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1	408860796	FIAMNHJSELYBSB-HWLOXFRGSA-N	648.741	5.872	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	408864321	YOJUWBNZETZRIC-ZZYREXKBSA-N	526.574	5.393	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)Cc2ccccc2)cc1	408877328	UVNSAECATQAGOP-FZPRHHONSA-N	626.566	5.701	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cccc(I)c1	408881944	NBHIRFGKBHWEMZ-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	408889438	GZTQKDCBYFUACH-GZTJUZNOSA-N	552.337	5.139	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1Br	408898514	LZRWJEMRJDYAHV-VXLYETTFSA-N	651.726	7.539	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(Br)cc1	408945778	LNVOFWGGUAEWBP-MUUNZHRXSA-N	716.452	5.676	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCc1ccc(Br)cc1	408947225	AWPQAEGTHWVPQW-GQZAJMAYSA-N	691.579	5.485	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c(OC)c1	408949212	FACVUEQPCKPJQE-HVJLQFNCSA-N	675.953	5.955	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCc1ccc(Br)cc1	408970127	BEWCYRNMUGMUPI-XODNFHPESA-N	588.252	6.318	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408983332	LKSKSZRHEHWCEY-VXLYETTFSA-N	617.827	6.685	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408995281	BHVYZWBAUZXATM-ZCTHSVRISA-N	552.543	5.229	50	40	KKGB	
O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NN(c1ccccc1)c1ccccc1	409000881	ZOXWVVNRZJYUMM-LJAQVGFWSA-N	537.616	5.675	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)c(C)c1	409048580	SGMLGIDVAQFDSV-QGMBQPNBSA-N	520.243	8.042	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4c(OCc5ccc(F)cc5)ccc5ccccc45)cc3)cs2)cc1	409048836	XLGGHTQIVXLCDP-HASSKWOGSA-N	586.692	8.497	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	409121203	XBKUEKQINIRBBA-KCSSXMTESA-N	734.410	5.987	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409130377	HPRYODPYGPQLQI-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409149817	RQMZRCRANTWJGG-NSKAYECMSA-N	524.744	5.612	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1OCC	409219446	MNRFAGZTWUGVTR-NUJZUDFISA-N	535.811	6.427	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)c1ccc(Cl)cc1	409219741	UMKRKNSGQUPESN-UHFFFAOYSA-N	571.973	5.313	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccc(OC)cc1	409227461	YRQNPAFFOWSONA-UHFFFAOYSA-N	606.462	6.636	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccccc1C#N	409228298	WYAGOASOVXMUQK-NVIPHDJISA-N	563.395	5.535	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409257923	USIXRKDNXJUJTJ-CDLBOOTPSA-N	780.088	8.609	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)cc1Cl	409264700	PKHRYXKVBALXNE-LICLKQGHSA-N	540.801	5.680	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC)c(Br)c2)ccc1OCc1ccccc1	409314423	KMLJEJVZYNFBNF-MBTHVWNTSA-N	576.285	6.352	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)ccc1OCc1ccccc1	409314532	RTXRJPVNVQOGLK-LJUMEUDFSA-N	635.427	6.799	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409362227	INGJNPMHPGEBDH-CCVNUDIWSA-N	583.253	6.269	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc(Br)cc1	409394595	CNKUGXYZKBJDBS-UHFFFAOYSA-N	730.638	8.759	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)[nH]c12	409396367	XZPYRVKNHYVTRC-UHFFFAOYSA-N	600.900	7.796	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OC(C)(C)C)c(Cl)c3)o2)cc1	409401121	GLWJNHDSWWYSNF-ZMGVVAQMSA-N	554.474	7.514	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)OC	409403921	ONCKDIKKCYJEOQ-ZMGVVAQMSA-N	624.488	5.743	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)Nc1cccc(F)c1	409404189	PFGGAXBOYDWDFW-AEVGBRMKSA-N	736.538	6.800	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCC#N)ccc4ccccc34)o2)cc1	409407047	YPTJKJVHIWRTDI-APTWKGOFSA-N	518.573	6.086	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)n2-c2ccc(Cl)cc2)cc1	1746523	BYZFSCAVFKQVEP-XODNFHPESA-N	530.868	6.445	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1	1827386	DIYYXNVRASOAID-CVKSISIWSA-N	538.496	5.661	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1	1888001	MOOPGKBDIVHVIO-YDYXIROLSA-N	518.436	5.823	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1	2212746	KQKJWILOEWEBIT-UXHLAJHPSA-N	545.734	5.415	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	3143572	JAKDRLRQJVYLIC-ZGDDAVHWSA-N	541.655	5.677	50	40	KKGB	
COc1ccccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C(/C)c2ccc(Br)cc2)n1-c1ccccc1	8399028	MSIYWOHZNYBADG-WIANSCGVSA-N	579.524	5.672	50	40	KKGB	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC(=O)c4ccc(Cl)cc4)c(OC)c3)n2)cc1	9075504	XFEZZFABZJPUDN-FYJGNVAPSA-N	517.006	6.807	50	40	KKGB	
COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)cc1Cl	19951825	DSMHQAINWPTKTM-UHFFFAOYSA-N	534.122	6.321	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)cc1	59297407	YLYZMCRWHUNRJI-WOJGMQOQSA-N	512.349	6.425	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccccc2)cc1	59436893	PXYKGVWIKGJTPM-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1C#N	97955895	QILMICPCZDTRIQ-KNBZMSCYSA-N	681.179	5.804	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCC(=O)N/N=C/c1ccc(Cl)cc1	97966438	VJVOYGQOUWDNHL-NIVXUIPCSA-N	631.948	6.847	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)c1	98001651	DETCOXCEXSNHRM-LUOAPIJWSA-N	670.108	5.939	50	40	KKGB	
COc1ccc([C@@H]2C[C@H](C(F)(F)F)N=C(SSC3=N[C@H](C(F)(F)F)C[C@H](c4ccc(OC)cc4)N3)N2)cc1	98043201	BZVIHNXGWZHIBJ-JVSBHGNQSA-N	578.604	6.428	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(C)C)cc2)cc1)S(=O)(=O)c1ccccc1	100085337	FGYGMTDUYXBZAV-QXUDOOCXSA-N	590.145	6.843	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100127546	TWFJFYQRUMOZCB-OCSSWDANSA-N	539.032	5.232	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	100216365	UXJWSCODLYHFNJ-VCHYOVAHSA-N	540.345	6.020	50	40	KKGB	
O=C(Cn1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c2ccccc21)Nc1ccc(F)cc1	100218635	CGOJPMZMKOJGTQ-IPBVOBEMSA-N	588.231	5.414	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	100220294	XMQFTZNPDVCNAS-JLPGSUDCSA-N	604.526	6.596	50	40	KKGB	
CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	100557613	PHJRZLMQTWPBTR-AJSVUVGVSA-N	569.334	6.015	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1	102245410	RKGMSFYRQXFYMM-QLQYKETESA-N	553.622	6.439	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1	103882689	LLIROUHNQQNGIU-SILNSSARSA-N	522.483	5.662	50	40	KKGB	
CO[C@](CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1	104106151	KYQVXKIOXJQGNW-DHUJRADRSA-N	516.621	6.528	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccc(Cl)cc1	104580616	ZIRHDOGORKKBPR-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
O=C(CSc1nc(-c2ccccc2)nc(O)c1[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	105365735	BCXCHVBEXOMARK-UHFFFAOYSA-N	584.681	6.176	50	40	KKGB	
O=C(OC[C@H](I)CC(F)(F)C(F)(F)F)c1ccc2cc(C(=O)O[C@H](I)CC(F)(F)C(F)(F)F)ccc2c1	150381622	MSXGGRUKKADJCK-CABCVRRESA-N	774.127	7.894	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	150385731	RHSHYLYDSCQKGC-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc([N+](=O)[O-])cc1)N2	150415303	OCYKIXWOKGZMTB-PYHODHCZSA-N	674.131	7.938	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cc(C)cc(C)c2)cc1OC	150474344	NLVCGONKNXSTNJ-KVAAJVFYSA-N	643.593	6.381	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1	150489291	DKVZZQWENCCCQW-PQKVGRGHSA-N	648.988	9.365	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	150640190	ZSNNRRVJOPAUFT-KBKYJPHKSA-N	691.647	5.809	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795311	RPPYLFHZJAFBAV-YUMQZZPRSA-N	802.060	9.871	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2OCC)ccc1OCc1ccccc1	408539636	IZHDIENFLAQVFE-FZKWRIDDSA-N	648.510	7.077	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408541741	FQNHOHAXAWOPHA-UCQKPKSFSA-N	527.533	5.545	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1cccc(C(=O)O)c1	408544577	UYFUTKCSYXOZAT-JMIUGGIZSA-N	565.376	5.369	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccc(C(=O)O)cc1	408544948	WGPLWNDSTCZEDG-OCKHKDLRSA-N	557.194	6.251	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c(C(=O)OCC)c1C	408546697	NATHSNGSKNUYKC-CIAFOILYSA-N	592.626	5.625	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553489	WWIDBFJSOOJKOW-CXUHLZMHSA-N	622.246	6.170	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	408567986	HJNUMIZGOOLRHZ-KPGMTVGESA-N	583.562	7.733	50	40	KKGB	
O=C(NNc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408613177	ZOAXPKWMTGCEJS-MRXNPFEDSA-N	504.801	5.722	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408642882	FJWSRGSKBSRXNA-WJNKUABFSA-N	794.236	6.139	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408649042	XCSLMFJPSOIAMB-ODAXIHTASA-N	806.118	7.682	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408676374	HTSQZSYVZCRVRX-WCMJOSRZSA-N	591.333	7.098	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408678430	ZAAARHZDEJHJOK-JVWAILMASA-N	523.387	5.300	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408685946	QNVDBAWLEZPNPB-TVFCKZIOSA-N	634.108	5.381	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408689718	YXHICNDXEWTYGD-VQHPVUNQSA-N	623.556	6.126	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1cccs1	408722082	DEOOABLTRCLDEM-NMEUFFFUSA-N	538.028	5.368	50	40	KKGB	
COc1ccc(Oc2ccc(C(=O)N/N=C/c3cc(Br)c(OCc4ccccc4)c(Br)c3)cc2)cc1	408723788	NETJDZSKVTUHRA-KBVAKVRCSA-N	610.302	7.355	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(Br)cc1	408756739	SYEYSEXQWQUFDP-MFOYZWKCSA-N	621.123	7.107	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccc(Br)cc1Br	408770681	AIDGQPVIEYDWBN-NVMNQCDNSA-N	533.647	7.517	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1cccc2ccccc12	408776808	QXIJAMJEPOZJFK-SWKFRHMKSA-N	543.667	6.412	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc2ccccc2c1	408788505	DLQHDSHGMRFBFZ-WSDLNYQXSA-N	558.388	6.644	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c(C)c1	408790868	RRVAKNYUISWRRM-VXLYETTFSA-N	577.249	7.340	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408798747	WVADQTHGHZLMBZ-LZYBPNLTSA-N	591.643	6.898	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2c(C)ccc3ccccc23)cc1	408803366	OBNLNCLTVHSCKM-PXLXIMEGSA-N	527.418	7.044	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(Cl)c1	408808767	NHARQSQPPMTORK-CAOOACKPSA-N	589.773	5.986	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c1Cl	408813022	CUYMAIDVYYYUIM-MHWRWJLKSA-N	544.391	5.747	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2cc(C)ccc2C)cc1	408831373	QDJCDQRPGUKBAS-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1	408839445	SHZHWUDIXOXMRD-BIZUNTBRSA-N	570.443	5.922	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(F)c1	408847780	RQNGFBLZEAKDGA-IPHFVPNQSA-N	533.603	6.943	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(F)cc1	408851265	XAMGWSZJOVIPKH-CPDSRJINSA-N	586.255	7.168	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408860736	CZYXOXARJCRDKT-KLPHOBTLSA-N	600.915	6.854	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	408861641	DWSROPGSKDKNTE-NDZAJKAJSA-N	578.488	5.374	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408863038	KGRQHBHZUTXBCR-QXUDOOCXSA-N	650.595	6.253	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408876801	NZGZEHZKNDZATM-RRDBNTQTSA-N	717.775	6.932	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	408881397	KYBRLTAGTSCZCR-XODNFHPESA-N	552.252	6.263	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1C	408883988	SBFMYYAYBJCLRO-KVAAJVFYSA-N	603.066	6.420	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccccc1Cl	408889009	APOUYJUKMASMGX-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408889975	MATIMXORHFEAIU-RPPGKUMJSA-N	632.474	6.309	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(=O)c1ccccc1	408894662	KCOVUGQJKUWIRR-VIZOYTHASA-N	591.201	6.438	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(Br)cc1	408900844	YALXASVMZMJZLX-STBIYBPSSA-N	503.396	6.344	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1cccc(C)c1	408903855	AKFQIIQGRCTCCM-WKIKZPBSSA-N	561.274	6.572	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1	408910545	KTFQMBYPWOUBBV-UXHLAJHPSA-N	560.404	5.323	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2Br)c1	408922840	GTAQBNRCPUURKW-KKMKTNMSSA-N	605.377	6.951	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	408951959	JJNZVDCKZLREPU-FWUIRIOGSA-N	671.534	5.310	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c(OC)c1	408957690	VMHNVRRVKMTLNH-HVJLQFNCSA-N	659.498	5.440	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408968999	FNMUCSNWHRKXFM-JOXBHNNNSA-N	613.545	6.642	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1	408972010	NSJCWKQCVCLIOW-BQSNHMCDSA-N	699.429	6.989	50	40	KKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	409019789	XESFUJNIEMNDIJ-YOZWWGCUSA-N	503.430	5.232	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409035231	PEODSTZKSQTIAD-AABVJFSESA-N	607.950	8.857	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(C)cc1	409039419	WNAMDTNIJIMLEX-UCMJSZAQSA-N	501.586	6.562	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)c1C	409042838	CYOKTOWCXFOBQX-YDZHTSKRSA-N	501.413	7.888	50	40	KKGB	
C#CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409044505	GSUXRDDAGCRJSI-QRQIAZFYSA-N	531.353	5.282	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)C2=C1CC(C)(C)CC2=O	409136823	VUHNARGULYTQDB-DEOSSOPVSA-N	743.811	6.511	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	409138005	YECAXQLFOMFADT-NRFANRHFSA-N	520.210	6.150	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccco1	409160009	OZWJKIYRCOGUNP-LQKURTRISA-N	518.367	5.637	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409185151	SNNKOVOUBBKWBI-DBFSUHOCSA-N	570.203	6.502	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409209627	HILSNLKNXRNATA-ODLFYWEKSA-N	522.355	5.756	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	409210035	HSHDKBRFQQHDHE-RPPGKUMJSA-N	533.831	5.622	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1Cl)c1ccc(NC(=O)c2ccccc2)cc1	409219557	NTVHCARFYAEBBH-LJUMEUDFSA-N	532.383	6.229	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccccc3Cl)cc2)cc(OC)c1OC	409223191	FTKCWRRFAODCIW-DLCNMLRHSA-N	622.461	6.255	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)NCCCc1ccccc1	409240579	LILFWGLEWOUJCD-XKZIYDEJSA-N	509.389	5.927	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409251518	QXNYGSMKVUGOTR-UDWIEESQSA-N	538.431	6.572	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2C)cc1	409253237	AZBJKHZOGIQQFQ-BKUYFWCQSA-N	562.420	5.416	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)ccc1OCc1ccccc1	409318896	YQOWGSGREHPQDD-OHUYPAJKSA-N	638.356	7.532	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1F	409372551	ZOEPHVSJTJPMQE-SXGWCWSVSA-N	521.611	7.647	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409378591	QLJYMAOQRWLTCE-NVMNQCDNSA-N	563.677	6.540	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1	409378738	QYVAKTHGIDWGAW-PPDIBHTLSA-N	529.018	5.349	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)[nH]c12	409395231	LHJZQVCWYDHHGY-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409396441	YJKXQOHKVPLEKO-UHFFFAOYSA-N	632.301	7.759	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409398078	QFYLUFPLBMKAJD-UHFFFAOYSA-N	625.523	7.045	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Br)cccc4c3-c3ccccc3)cc2OC)cc1OCC	409398253	RYIBHHHHKBTNKY-UHFFFAOYSA-N	656.533	7.387	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409402919	LHOVBNYHRHRLOW-CLHYIUPASA-N	641.124	7.100	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1cc(N(C)C)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409403193	MCZIZPNAKLXQLD-WJPQHPDVSA-N	572.662	5.426	50	40	KKGB	
C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](/N=C/c1cc2ccccc2c(-c2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc3ccccc23)c1O)c1ccnc2ccccc12	675082927	HJVPMMQNVLOVDY-HWTMQGTESA-N	828.145	11.909	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O	1531387241	TYLCHXWNPCNIJH-KBVAKVRCSA-N	554.946	5.735	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc4ccccc4c3Br)cc2)c1	672483	WMNZDEQYDAADAZ-UHFFFAOYSA-N	532.394	5.003	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	854001	MOSIBILIFAYHMG-INJUALFYSA-N	502.596	5.356	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	1252156	TWEXLUXBBVONCL-VWLOTQADSA-N	584.916	6.748	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nc4ccccc4c(=O)n3-c3ccccc3C)ccc21	1770603	CGZLAVTYEFLAKI-HNSNBQBZSA-N	545.668	6.064	50	40	KKGB	
COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2cccc(Br)c2)cs1	1834917	IBCVEEMVVUYDHP-SDNWHVSQSA-N	500.374	5.353	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	6445846	ZAWQUPRDFTZIQP-RNBKDOAQSA-N	561.041	5.189	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)c1nc2ccccc2[nH]1	9160674	ANDCVLNDJFADFS-JJIBRWJFSA-N	511.560	7.198	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1OC	9432048	UXYGEACRYNLJOZ-OGLMXYFKSA-N	507.660	5.408	50	40	KKGB	
C/C(=N/NC(=O)Cc1cccc2ccccc12)c1ccc(/C(C)=N/NC(=O)Cc2cccc3ccccc23)cc1	22860799	KGXDSVBOYSTBOH-BPKJJUIGSA-N	526.640	6.159	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl	59117223	FIYVAFGKWGUWDN-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	59410615	SUNQFDKCZDAMEW-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I	97960760	QBGYALACYXHORV-VGOFMYFVSA-N	604.613	5.968	50	40	KKGB	
COc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)ccc1OC(=O)c1ccc(Cl)cc1Cl	97965849	OHFGLINQIGWYAY-ATZGPIRCSA-N	632.566	5.697	50	40	KKGB	
O=C(COc1ccc(Br)cc1Cl)N/N=C\c1ccc(OC(=O)c2ccccc2Cl)cc1	98001524	PBTXJXUQMGJEKQ-ZRGSRPPYSA-N	522.182	5.504	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(n1cccc1)=C(C#N)[C@]21C(=O)N(Cc2ccc(F)cc2)c2ccccc21	98008234	CQLQBZNAKCTWRH-BHVANESWSA-N	568.652	6.968	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2cc(Cl)ccc2OC)cc1OC	100303914	IEYJKKFOWZCPQS-DPNNOFEESA-N	625.147	5.427	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1	100990618	WAAIGPJHOQMXEX-MZOFLMDJSA-N	566.908	5.888	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccc(Cl)cc3)=C(C)N2)cc1	102718261	KVSISXRVNUCHTH-HHHXNRCGSA-N	579.509	6.709	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCC(=O)N/N=C/c1ccc(F)cc1	104006639	KCJSBLITNZYZPP-MWVBGNBESA-N	615.493	6.333	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)N=C3CCCC(O)=C32)ccc1OCc1ccccc1	104015640	SYFWADLDEBHALC-WJOKGBTCSA-N	565.695	7.224	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	109871326	GZXMAIVPPXOFBF-MUFRIFMGSA-N	552.266	6.637	50	40	KKGB	
CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341649	PZEUYQKZNADPEH-CQSZACIVSA-N	742.336	11.501	50	40	KKGB	
CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341725	FSJSGCKGZDDAPJ-OAHLLOKOSA-N	1006.400	15.067	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccccc1OCc1ccccc1	150383268	LHURNKNFKSMCTG-ZPOUEADKSA-N	652.562	5.891	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	216063751	IJIPDTGYSZQGMO-MUFRIFMGSA-N	592.861	6.475	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3)cc2Cl)ccc1OCc1ccccc1	408539913	KLWKEJDJZMVESS-KYHGBAKBSA-N	535.427	6.924	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OCC)c3)cc2Cl)ccc1OCc1ccccc1	408540720	VKKGCCRWUYJKNK-PMHDSTOGSA-N	699.631	9.292	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)c(C(=O)OCC)c1C	408546702	NDZGVEBWZBMUGG-KGENOOAVSA-N	552.048	6.361	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1	408637904	NWPRFOVBQVMOOA-HLADLETHSA-N	572.032	7.062	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1Cl	408642805	FGALARMSKCQUEJ-FFTGTZRRSA-N	698.022	6.318	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408647851	VTVBJKPTJRRMMS-GJQMJKEGSA-N	661.174	5.553	50	40	KKGB	
CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)c(C)c2)CC1=O	408665327	OVDOSDUAAKCNNH-AZKGINQHSA-N	660.403	5.505	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408674331	ZDXSSUKDJPPMMV-YGHIHULVSA-N	596.404	6.828	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408675818	BLAZCOVULUCXLI-STBIYBPSSA-N	614.440	5.541	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c(Cl)c1	408741923	SQWGTTNPMCEWKN-KPGMTVGESA-N	561.867	6.725	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408746396	DFZHCKFOINRSHH-PXNMLYILSA-N	564.636	7.129	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc2ccccc12	408759179	ZEQNCFYNDNGVNF-BKUYFWCQSA-N	503.385	7.280	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc(I)c1	408763577	SXNSJBPCWCJSDM-BRJLIKDPSA-N	539.156	5.581	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408772355	OJZOFAWBLGEHKP-PXNMLYILSA-N	597.211	6.870	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408797688	SYXXJNTYSPAFIM-HYARGMPZSA-N	517.412	7.670	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1OCC	408805720	CHHLLNJBFNFNIH-CXUHLZMHSA-N	521.795	5.297	50	40	KKGB	
O=C(CNC(=O)OCc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408813990	GKSJXACFXUBTIS-XODNFHPESA-N	575.257	5.167	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408814111	QDPJCPOWKLKMRS-FGBVWZEKSA-N	632.588	7.394	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408821037	BRIMCPFCEHFYQE-YDZHTSKRSA-N	686.817	9.512	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408821061	BXRJUSDGOFFYEL-WSDLNYQXSA-N	672.790	9.122	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc(Cl)c(Cl)c5)c(I)c4)cc3)cs2)cc1	408837853	ACFHXZRPJYBWQH-IRWBXMRWSA-N	792.324	9.879	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1cccc(C)c1	408840057	XIFXNNPDBVOBAY-ODNPBWNPSA-N	611.167	8.566	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccccc5C(=O)O)o4)cc3)cs2)cc1	408840502	ZAFIVGFJPLNOFY-OKCVXOCRSA-N	522.586	6.584	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408844387	OFIHDOXKNGSCEV-XJECJHNESA-N	721.973	7.860	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408845952	WWNULULCKRGGSH-HBHSWBPBSA-N	633.048	6.928	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2I)cc1	408849904	AMUBVXIRXDEFDH-WGARJPEWSA-N	510.331	5.689	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OC	408856777	DRPKCBXVAORGPP-UVHMKAGCSA-N	601.306	5.119	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408859278	NTEDRJZVVKTCBG-XICOUIIWSA-N	628.751	5.490	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2cc(Cl)cc(Cl)c2)cc1	408877996	ZUHOWXMPXOBMIE-KVAAJVFYSA-N	643.524	5.804	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408886884	JQBNLXNQOORGHE-CXUHLZMHSA-N	653.838	5.483	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408890411	SPYORPNPORAWEG-UDWIEESQSA-N	562.807	7.289	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1C	408892753	CSPSRKCPJTWCSL-QGMBQPNBSA-N	605.272	7.496	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)o1	408897844	ZUMVQHPOBYFIDI-UKTHLTGXSA-N	561.186	6.243	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	408899556	QHCZTXJEAZLFMF-ZCTHSVRISA-N	559.416	5.063	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1O[C@@H](C)CC	408941090	JRQBVGSVQWZQBE-QOWQLIIWSA-N	538.236	6.298	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408942459	FZIXIUNVTQBFMU-MHZLTWQESA-N	808.449	5.426	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408966765	NIFCKWWLWSOUSL-IURWMYGYSA-N	582.348	5.787	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1C#N	408981180	VBLYOXPGXWVJHI-LSJKGLAVSA-N	572.662	5.096	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1	408983696	NMNWDOVPUJLDIK-JAIQZWGSSA-N	572.830	6.776	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1	408997866	ONSVYOVABKHEIQ-HUMNLGMNSA-N	602.872	6.738	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	409024315	JPPRKDZVTULKLS-ZLGPJQJGSA-N	507.656	5.471	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	409027474	CUUCDTYVBNCGKS-LGJNPRDNSA-N	571.280	5.110	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409044085	GQRGXYNBXHDOFW-LZYBPNLTSA-N	659.094	8.118	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	409044442	CWMOAXVLKIXKLC-GIDUJCDVSA-N	626.088	7.551	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12)C(=O)Nc1ccc(O)cc1	409049333	QJMGEGFZAWOGQG-UDWIEESQSA-N	578.260	7.195	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccnc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409078999	KAXJEFQVWZLDQU-RAWMCFOBSA-N	509.187	5.502	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Cl)cc1Cl	409111405	CMBQDMYCXOTEIH-OHUYPAJKSA-N	600.487	7.941	50	40	KKGB	
CC(C)C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	409151801	DCZBDVSARYKCSU-QKEDOHSHSA-N	574.461	5.792	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C	409158813	PFHWBFDBTIJTDU-KVAAJVFYSA-N	623.548	5.372	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccc(Cl)cc3)c2)c1	409221943	BSPYGZAGFGSKQS-CFQFWYOCSA-N	632.898	6.746	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409222752	FBSCOVPJCSLTRH-MHKQQOOOSA-N	633.444	6.545	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccccc3)c2)cc(OC)c1OC	409224154	KYTBKYWBBKGLJK-BUJZAOHFSA-N	579.609	5.347	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409238044	BTOWJARQXLVPPT-JLPGSUDCSA-N	576.491	5.830	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c1	409248957	GDYZCCWEGXTAGN-PPDIBHTLSA-N	579.676	5.955	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409256655	PXIWORKUWQQUPP-UDWIEESQSA-N	581.410	5.480	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409267390	VISHRSIZHCDTGN-KOKCXWAISA-N	745.643	7.955	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409313024	AYJUGACMVKEIFB-FDVSRXAVSA-N	517.460	5.967	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OCC	409320953	DNNBPXOIDCYJLR-ACXHZZMFSA-N	556.446	6.047	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409324055	RRWRDZRNFWAURQ-ACXHZZMFSA-N	665.912	5.922	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)cc1OCC	409325253	XFVIEABJPSNZDL-NUJZUDFISA-N	610.730	7.005	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409325303	XVEZROSDPHDOLU-MTJSOVHGSA-N	553.283	8.951	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)ccc1OCc1ccccc1	409325442	YMTCKTOQIKBWGC-KMUKQRDJSA-N	637.958	7.822	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409372555	ZPGXSKXNRICYMX-NVMNQCDNSA-N	510.300	5.917	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(Cl)cc1Cl	409385474	KTBNXUTVIJSSRO-IPBVOBEMSA-N	656.285	7.072	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)[nH]c12	409395382	MYNQKUCAEPNTPE-UHFFFAOYSA-N	600.900	7.796	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409396004	VBHOMDKBWJTZNX-UHFFFAOYSA-N	764.190	9.124	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409396793	BGLFDAJCGSGDHK-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Br)cc4c3-c3ccccc3Cl)cc2OC)cc1	409399074	XRASMYXHMIPLHQ-UHFFFAOYSA-N	667.343	7.905	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OC(C)(C)C)c(Br)c3)o2)cc1	409399922	AGOCKMVUXRQSRO-ZMGVVAQMSA-N	643.376	7.732	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409401678	IAIPLTLYHNAKDA-MUKWFXSPSA-N	529.593	5.360	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2)c1	409401849	IJWXBXKCHKEHQA-GXBUFBABSA-N	533.628	6.917	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1cccc2ccccc12	409402272	JOQBVYWSDHHWMM-TZRCHIKKSA-N	639.752	8.499	50	40	KKGB	
O=C(N=C(C(Cl)Cl)N1CCSCC1)ON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl	575628184	HRSTZEVJGYOTMP-UHFFFAOYSA-N	557.277	6.576	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	1529548035	WEWFLXHDRDZIHM-ABFODGPCSA-N	657.627	5.291	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1COc1ccc([N+](=O)[O-])cc1	667401	FHMIUHRJIUEXLA-MUUNZHRXSA-N	522.561	5.487	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccccc1	1717311	HCEXFQPQCNYHGJ-MUFRIFMGSA-N	559.346	7.137	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1	2252501	AAKFGAFXCSKAPL-JVWAILMASA-N	536.455	5.338	50	40	KKGB	
C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@H](C)C(=O)N/N=C/c1cc(Cl)ccc1O	2752178	CVPIASNAPAFOKN-DXRBVMPTSA-N	521.046	5.219	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	9204795	CILPQZZHLBLXEZ-MUFRIFMGSA-N	507.815	6.528	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(CC)cc3)c2C)sc2c1CCCC2	9907403	RSISUUOBFYKMEN-JWGURIENSA-N	501.652	6.319	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1OC	10001895	RMDCHHYIQXSJQC-JFLMPSFJSA-N	521.620	5.165	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@H]1c1ccccc1Cl	12859248	ZBAIQRMTFSZNBN-XMMPIXPASA-N	535.069	5.683	50	40	KKGB	
COc1cccc(CN2CCCN(Cc3cccc(OC)c3O)C2c2ccc(N(CCCl)CCCl)cc2Cl)c1O	19321051	GBDBVRSUZQXWLR-UHFFFAOYSA-N	608.994	6.459	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	20763835	WWTPTVJNYYIPFI-STBIYBPSSA-N	503.396	6.344	50	40	KKGB	
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)/C(C#N)=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)s2)cc1	97946039	NQJBVXRQQFJUFQ-PCLIKHOPSA-N	566.668	5.598	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cccs1	97964083	LSJVYWASOCGBLA-LGJNPRDNSA-N	544.268	6.769	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	97968622	CLQAKMHWMGGABT-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C\c1cccc(OC(=O)c2ccc([N+](=O)[O-])o2)c1	98001485	UUOVDLMGJTWNRV-OPVMPGTRSA-N	646.042	5.224	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2ccccc2F)n1-c1ccccc1	98045832	AGQGZKJMJWFLOB-KQPIQEFLSA-N	614.488	5.562	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1	100047042	BDJAOKYULIOBJM-MTSAWOECSA-N	604.707	6.072	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1	100062667	NTXJMXDEHGOIPQ-QNKGDIEWSA-N	575.090	5.713	50	40	KKGB	
Cc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(\C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)c(C)c1	100101458	VVFHERLXPOSIID-YLVSKIBFSA-N	608.163	7.851	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1	100232810	ACHSFEKIXWCWGW-NDENLUEZSA-N	525.830	6.934	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2cc(C)cc(C)c2)cc1OC	100304035	CYJJHZFUTLCMRH-DPNNOFEESA-N	609.148	5.727	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl	100336733	KOYUQNZEUUCQFO-ZDLGFXPLSA-N	536.196	7.250	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	100403982	AYDBZQRYGZTLTN-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccc(Br)cc1	100612862	BOBKKASWDWHSNN-FSGOGVSDSA-N	562.537	6.627	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	100745269	AEPTVRRUCYRWOJ-SANMLTNESA-N	530.675	5.772	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1	103890590	AECMHZPNPLQDHQ-WQRHYEAKSA-N	546.248	7.279	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	103896213	WLOHPGZJLBAUOD-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	103985744	HBHUBFRXFNSALP-RMDZKVJFSA-N	529.640	5.166	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F	105475480	TVZJLFZNUXWJJJ-KKMKTNMSSA-N	537.838	6.072	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	105475585	BFZQDRXQXUBJJG-KKMKTNMSSA-N	554.293	6.586	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341959	ZSMFXOXKEQMBQU-JOCHJYFZSA-N	904.559	15.257	50	40	KKGB	
CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc([N+](=O)[O-])cc1)N2	150415299	OCYKIXWOKGZMTB-YWKXIQQWSA-N	674.131	7.938	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	162408351	ZXLKYAOXWRIJAN-PUHLOBNQSA-N	664.836	9.053	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795277	RDVHFMGVXDYUBV-PHDIDXHHSA-N	874.020	10.361	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)ccc1OCc1ccccc1	408538318	KYWZLVLOBMYOEL-OVVQPSECSA-N	534.612	6.798	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(Br)c1OCC(=O)O)c1ccc2ccccc2c1	408549855	AIUFKVVRZAICGW-IUXPMGMMSA-N	534.147	5.734	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1cccc(C(=O)O)c1	408551727	FSBYNUSDPRTVBJ-RGVLZGJSSA-N	606.498	6.483	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553034	USDVSYQEXHSIID-WOJGMQOQSA-N	512.349	6.382	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553113	XMPDUYAUZLOOAR-VCHYOVAHSA-N	597.332	7.148	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc2ccccc2c1	408553598	OMQSSXVILFTIIL-MFKUBSTISA-N	533.653	7.175	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccc(Cl)c(Cl)c1	408555336	XBIMWUMHYOWLES-IRWBXMRWSA-N	729.871	9.058	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408569012	LYHKRWWXDJACRV-VVEOGCPPSA-N	597.973	7.242	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	408570413	USMCSJXKNURZEG-KPGMTVGESA-N	583.562	7.733	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408606944	BFTDXFXTDZWPRX-RPPGKUMJSA-N	521.198	5.424	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	408609458	JTRDQXYQUSPMBQ-FJEPWZHXSA-N	528.436	5.795	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1	408609798	LNHGSUAPKOVYIO-MZJWZYIUSA-N	514.807	5.333	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408653009	PLOSNLVHJFUXJL-MCBCHBBLSA-N	566.268	5.692	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccccc1	408678382	XYYXWSWSQHWRMX-OGLMXYFKSA-N	555.416	5.243	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2	408746838	WLCNLSJMCKXNDQ-MFOYZWKCSA-N	541.785	5.964	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(Br)cc1	408746996	IZXJGJYPHPSIJP-SXGWCWSVSA-N	719.542	7.436	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2cc(Cl)ccc2C)cc1	408781142	AWMZYOHVDIVLTE-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408788992	GXXAEDAGYVZNMV-YBFXNURJSA-N	511.361	5.913	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408794494	JIZACTHMHTUJTN-VCHYOVAHSA-N	618.225	6.395	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1C	408794568	IYRAXFNXTCCEKR-UDWIEESQSA-N	553.356	5.941	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c1C	408798649	WGKQRUXZUZWZPZ-YDZHTSKRSA-N	684.315	7.791	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc(Cl)c1	408800408	OZRYDIBANXTKIW-FRKPEAEDSA-N	566.666	7.543	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	408820316	WUFIYBGDORGHRA-KXACJBKOSA-N	558.034	5.721	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)c1	408829932	MNMQSDPZNIVRQJ-OKCVXOCRSA-N	588.469	5.616	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408840173	BTQGXPXBPSLXHM-KLRVQTHGSA-N	637.317	7.391	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)/C=C/c1ccccc1	408840604	CPOUDZAZZYEACF-BBDASIIWSA-N	547.611	6.029	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408841074	FKSLMQJUXSVJRH-LGJNPRDNSA-N	512.816	6.333	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccccc2)cc1	408841318	FHVYNDAEINKTIY-AABVJFSESA-N	711.819	8.315	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Cc4cccc(C(F)(F)F)c4)c3C)sc3c2CCCC3)cc1	408844203	HHQKREYLLGKIQE-VHFSBPNMSA-N	592.687	7.307	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc(Cl)cc1	408877006	RYFAECUFLFILLO-LRSBSUGWSA-N	566.867	6.199	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1	408886854	JGGDRLLKWYAQBW-LDADJPATSA-N	634.302	5.702	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OCc1ccccc1Cl	408888227	UBTCYWJLBFMFQJ-RQZCQDPDSA-N	716.595	7.911	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OCc1cccc2ccccc12	408889247	BTIXJPJQAMFRKQ-CIAFOILYSA-N	653.860	7.529	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1	408892605	BLCRYVIIDBKPEX-XSFVSMFZSA-N	599.459	5.338	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(I)c1	408895093	LYFXMADBZUQIPQ-RQZCQDPDSA-N	549.195	6.723	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(I)cc3)c(OCC)c2)c(OC)c1	408955941	PRLFJTUYCPORJR-CJPARAFHSA-N	868.463	5.602	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1	408958019	XEFZEXXQKPMQJJ-GBQBHJDMSA-N	529.571	5.101	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408967937	YFENOKFGRHVXPD-LUOAPIJWSA-N	591.187	6.348	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408970479	AAFDKJSPXLYPGI-OYELVVBHSA-N	768.319	8.295	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12	408971270	IABSHLATCFRWRO-SMHPFWDTSA-N	544.479	5.994	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc2ccccc2c1	408984529	RTHKGHJUNDDJLE-ZVHZXABRSA-N	575.890	8.088	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1	408997165	LKIZTTBPEWFONE-MHDJOFBISA-N	625.306	7.300	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)/C=C/c3ccccc3)cc2)c1	409011513	NQDDHGHLYJYDPA-UEGHXVESSA-N	649.703	7.249	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Br)cc1	409029531	APQMLRANZJHQAE-APTWKGOFSA-N	550.456	7.316	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1	409044429	CUFKVLUJWAYQGE-WOJGMQOQSA-N	565.380	5.319	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12	409055215	DHRNAQLKVFCESP-AMVVHIIESA-N	576.889	5.847	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1	409082310	IWQPVBRZJRLJTE-AWNIVKPZSA-N	656.165	7.385	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C2=C1CCCC2=O	409140928	HAIOYOBAJOUOQX-OAQYLSRUSA-N	655.249	5.344	50	40	KKGB	
COc1ccc(NC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1	409188245	XSKBNWNNYVFZMU-MXAYSNPKSA-N	533.220	5.955	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1	409189092	COEQAJMDIAVDFY-MZJWZYIUSA-N	541.420	6.095	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1C#N	409203495	YHFAMKAYOMCULQ-NHDPSOOVSA-N	504.340	6.271	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12	409218494	FMNFWCMSMCEEAB-CQWOUVKLSA-N	702.552	6.209	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2)c1	409227444	YSCRWMKZOFDZKS-HRJHUVGCSA-N	534.528	5.230	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1cccc(F)c1	409245383	RZAWBRNDBWBBGC-XKZIYDEJSA-N	523.402	5.832	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl)Nc1ccccc1Cl	409258147	WRQYLVSTQXAJQR-ZRGSRPPYSA-N	521.198	5.537	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409261861	DRTBXXXQLIFJEG-VHFSBPNMSA-N	640.165	7.614	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2)c(C)c1	409272989	UPZIWCLVOYTWNM-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OC	409324620	UKKXQYZIBMLMEG-MUXKCCDJSA-N	530.364	5.818	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)ccc1OC	409336706	UFNNWFMAUNZNHF-MUXKCCDJSA-N	594.833	5.703	50	40	KKGB	
CCCOc1cc(Br)c(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	409362863	SYRMPBLKTLYEAI-UHBFCERESA-N	579.520	7.186	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccccc1	409366340	ULEHXMDRQNJALF-IUXPMGMMSA-N	632.066	7.846	50	40	KKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC	409384590	DQMUTMMWZKLNOE-MIDUAYCOSA-N	506.378	5.522	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409388748	WRIOOCWQADMYAH-FJEPWZHXSA-N	661.281	6.190	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(C)=O	409394703	DVXMCTCAECTTCR-UHFFFAOYSA-N	640.490	6.823	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)c1	409394973	IHNPAGGTYQGVGL-UHFFFAOYSA-N	795.109	9.421	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)cc1	409395577	PHOMUAPLPDZJHV-UHFFFAOYSA-N	699.758	8.144	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409395604	PRHFQJCMRUPQHH-UHFFFAOYSA-N	635.345	8.504	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396591	YDJNNNJUJVYGBX-UHFFFAOYSA-N	590.438	7.663	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl	409397071	FVJHCTGYFPFWQN-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)[nH]c12	409397389	JGYQHHZALUIDIJ-UHFFFAOYSA-N	536.031	7.342	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)c(OCC)c3)c(-c3ccccc3)c2c1	409397525	KVVMRIHGTCUTAU-UHFFFAOYSA-N	547.611	6.615	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409401629	HUFRGKSTQXJLCA-ACXHZZMFSA-N	594.462	5.734	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCC(=O)Nc3ccccc3)o2)cc1	409402361	JWFHVBUVVWFWAL-KMUKQRDJSA-N	641.522	6.810	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	409409074	MOGADWVCYFDEDV-FDAWAROLSA-N	549.096	7.549	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(C)c2)c(I)c1	1529547052	IJQFVSZHQGFINH-MWKDUONYSA-N	777.479	5.826	50	40	KKGB	
C[C@@H](CCC(=O)NN=C1C(=O)Nc2c(Br)cc(Br)cc21)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	2033240052	JBHLEOSHZKKTQZ-CAEMQGIOSA-N	693.521	6.391	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c(OC)c1OC	1758191	MZZQONSNZWUNGB-KCSSXMTESA-N	573.719	5.808	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	6445719	IZYGMLSUEPIQQQ-FPVDIDMMSA-N	525.970	6.240	50	40	KKGB	
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1	8385804	JYZNDQLCHFXCEM-JRKOMIAOSA-N	561.601	7.083	50	40	KKGB	
CC[C@@H](C)c1ccccc1OCCOc1c(Br)cc(/C=N/NC(=O)c2ccncc2)cc1OC	41078016	IYDDYLRORGPHGJ-SVMUSQEWSA-N	526.431	5.588	50	40	KKGB	
N[P@@](=O)(Oc1cccc2c(O[P@@](N)(=O)N(CCCl)CCCl)cccc12)N(CCCl)CCCl	43366337	FAORJLUJBXGYIV-ROJLCIKYSA-N	566.190	5.290	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1cccc2ccccc12	58985866	QGKDSZYOUHLCGF-QHCPKHFHSA-N	517.383	5.440	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(OCc4ccccc4)c3)n2-c2ccccc2)cc1	58993676	DHHMMUWWDWTMHU-RGXNXFOYSA-N	533.657	6.064	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	97960759	IOZAHDDTQYEPSC-DJKKODMXSA-N	602.812	6.085	50	40	KKGB	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3cc(Br)cs3)C3=C2CC(C)(C)CC3=O)s1	98007265	LBZOIQBKSGRHRM-MRXNPFEDSA-N	536.546	5.803	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1C	100124630	JYDQFDRWOHPCTM-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(O)(c1ccccc1)c1ccccc1	100451124	WSWKPZXDGVETDL-DZTJYMNTSA-N	592.655	7.106	50	40	KKGB	
O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	100459540	KMDDNPXQHZMKPJ-MUFRIFMGSA-N	558.461	5.798	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	100956041	HAOMKSUSSHTLIU-KUVPTRFSSA-N	591.023	5.144	50	40	KKGB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(Oc3ccc4ccccc4c3)cc1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	102067650	HRYPILXPBHYOQT-RCQJKQRMSA-N	541.239	5.914	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2	102989648	LIQNSMYEIRLEPT-WSDLNYQXSA-N	551.555	6.138	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4cccc(C)c4C)c3C)sc3c2CCCC3)cc1	103865929	AXMOXKXJTSMEPT-ITYLOYPMSA-N	562.739	7.758	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1C#N	105518085	DKXHMTPCIXSMIS-VYVUJPJFSA-N	579.282	5.414	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1	108326145	CDNRUHDAUFCNIK-OKCVXOCRSA-N	584.841	6.378	50	40	KKGB	
CC[C@@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)CCCCCCCC(=O)O	150344728	XIVWIZLTAYDHDS-ZBURPKILSA-N	757.860	8.573	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cc(I)cc(I)c1O	150383768	ZDQGYNUILCDXPK-LGJNPRDNSA-N	681.297	5.092	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	150473856	DHMCBSFNYGCUGY-KCSSXMTESA-N	639.572	5.528	50	40	KKGB	
FC(F)(F)c1cc(P(CCCCP(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1	169806279	KPMRSCJWVBYMJM-UHFFFAOYSA-N	970.456	14.183	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408538472	NKJIUIMQZBPLJS-KCQOPNMNSA-N	698.845	9.273	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3C(F)(F)F)cc2OC)ccc1OCc1ccccc1	408541262	YPTBQNVTULUIRY-AEVGBRMKSA-N	613.032	7.688	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(C(=O)O)cc1	408543622	PLDANXOXBBERFO-ODLFYWEKSA-N	513.185	6.553	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)NCc1ccccc1	408551276	JUOHHLPXKYGRPU-CAOOACKPSA-N	549.241	6.541	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1C	408552877	LIQKSFDMSLKSRD-ZDLGFXPLSA-N	528.823	6.827	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408567466	FCTMXGHRAAUUOH-WCMJOSRZSA-N	691.613	6.024	50	40	KKGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br	408568279	ISYOWQKDVUYTQQ-MMTYYTLLSA-N	509.491	5.634	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccc(Cl)cc1Cl	408579356	GCWINTZKGWNCAJ-MHWRWJLKSA-N	502.195	6.838	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1	408611727	RXEAWHFOEVNAIF-WKULSOCRSA-N	528.392	5.235	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(I)c1)c1ccc(N2CCCC2)cc1	408676194	GTYFJAKBROCSJC-WPWMEQJKSA-N	525.390	5.234	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1ccc(N2CCCC2)cc1	408676689	MJRQDSUGQGQILR-ZCTHSVRISA-N	575.450	6.388	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@@H](Br)c2ccccc2)cc1)c1ccc(Br)cc1	408681369	JBGBAVURRAETSU-BDYUSTAISA-N	607.298	7.246	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)O[C@H](C(=O)c3ccccc3)[C@H](Br)c3ccccc3)c2)c1	408686762	SSWFZUNGGBDDTR-IAPPQJPRSA-N	542.429	6.792	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)c(OC)c1	408728347	JZFWEYAVLOFZDS-BIZUNTBRSA-N	578.090	5.825	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Br)cc1	408742885	CMNIWQWUZSDIKI-BOPFTXTBSA-N	502.195	6.881	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Br)c1	408752587	IMIVGWQZSUMDLR-APSNUPSMSA-N	683.094	6.849	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408760496	ZRAXDCQPSFUOTN-YVLHZVERSA-N	685.097	6.783	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1cccc2ccccc12	408762033	CDXFSHAHESKPOH-XKZIYDEJSA-N	606.314	7.888	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1cccc(F)c1	408767606	YXTQSMHQWIKVJT-NVMNQCDNSA-N	621.244	6.716	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1ccc(Br)cc1	408793337	OLVHHFJOQIHMQP-YBFXNURJSA-N	537.211	6.208	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I	408796568	PHVYFNKNVIEFNC-CXUHLZMHSA-N	537.195	5.781	50	40	KKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408800212	NTTRFYBOPPHZHM-YZSQISJMSA-N	509.005	7.352	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O	408807412	CIIDECWQJLGYEK-NYYWCZLTSA-N	517.548	5.267	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl	408818635	OFNRUIFRIPPVFW-DBFSUHOCSA-N	609.247	7.086	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1C	408821461	HTWQZBRUOFYBGN-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(OC)c2)c(OC)cc1Cl	408823670	OJFRGHQCMUNWLD-SRZZPIQSSA-N	506.986	6.107	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408839775	AFUXLKFCRRXODV-VWJSQJICSA-N	533.579	6.601	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(C)c1OCc1ccc(Cl)cc1Cl	408842860	CLVNSTWNUDMMLW-VXLYETTFSA-N	519.350	7.754	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1	408844713	VVYWZOYRHXCQKD-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc(Cl)cc5)c(I)c4)cc3)cs2)cc1	408846812	RIRXGWQBLMVAGP-QNVXDBMFSA-N	757.879	9.226	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c1	408879689	CNZHJMXJXOSIFS-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	408884104	VXPFKRVLQFHKQA-DEDYPNTBSA-N	502.483	5.335	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1C	408886143	DSMFHLZUMIBPMK-VULFUBBASA-N	512.360	5.407	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1	408887572	RWJNRVUGRNFEOG-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OC(=O)c1cccc2ccccc12	408891203	MYBCFEKTGFJLIH-CJLVFECKSA-N	510.977	6.965	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)c(Cl)c1	408899438	PEXDTJOSEOMNTI-YPXUMCKCSA-N	591.514	7.515	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccccc1C#N	408904700	NGMMAYJEYDYTOY-QDTIIGTASA-N	596.337	5.169	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OCc1ccccc1C	408921841	CKLOGJHUIZLVSB-RGVLZGJSSA-N	710.204	7.956	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2I)c1	408925282	QWMXJPGQXPRFAN-LPYMAVHISA-N	670.288	7.482	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1	408939755	BKSPWDLRJLRXSH-MUUNZHRXSA-N	760.461	5.404	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(O)ccc2ccccc12	408974112	XHWRNTYBODIHLT-JVFUNOFTSA-N	550.442	5.497	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccco1	408998466	QPAJSSLFQIACMK-OCSSWDANSA-N	576.403	5.676	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409009597	GQNXHRNRQGEDJN-BIZUNTBRSA-N	524.621	5.583	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccccc1	409043057	PKOASSYSJREILY-LDADJPATSA-N	554.828	6.064	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1	409044950	DSKVCWRIAXGDRT-XODNFHPESA-N	501.366	5.393	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)cc1	409048778	UATLEQVDYVKISO-WOJGMQOQSA-N	634.302	5.620	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1	409053383	CEYALWQIHUSYQY-WOJGMQOQSA-N	524.802	5.974	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409065159	GRSXUMZJMVJBDI-CIAFOILYSA-N	541.862	7.899	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)OCO3	409088561	KLNKJJMGVFCWAB-QHCPKHFHSA-N	546.204	6.282	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1)S(C)(=O)=O	409116565	MJCISGDYQFSIML-BIZUNTBRSA-N	562.091	5.958	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc2c(c1)COC2	409130420	HKPFCRXRCGAXLC-UHFFFAOYSA-N	544.199	5.225	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1F	409193743	LVKSGUVRGRVIBQ-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(NC(=O)c4cc(Cl)ccc4OC)c3)cc2OC)cc1	409220153	UVIDSSNBSOBAMQ-UHFFFAOYSA-N	588.016	5.601	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409224165	JEKAPAYEMDYSNU-UHFFFAOYSA-N	779.077	7.972	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2Cl)c1	409225042	OCQBQCKVCMOFRJ-UHFFFAOYSA-N	542.935	5.484	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1	409256037	JFMLCFZHCOEMEN-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
Cc1ccccc1NC(=O)COc1cccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1	409272699	RQWREZKQJUVKMR-APTWKGOFSA-N	561.667	6.644	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OCC	409319675	KATGHKMVMSFJIU-YKQZZPSBSA-N	520.582	5.314	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OCC	409320905	DIISPRGFTDWLJD-CAQPMQTCSA-N	612.521	6.125	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1	409324119	SGXLZQKLYSUHPG-UXHICEINSA-N	632.842	5.240	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1OCC	409326307	JRMGISVVSWWVTD-MIXAMLLLSA-N	605.507	5.567	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1	409371123	BHICQTFNBSSTJI-JMIUGGIZSA-N	526.330	6.160	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409373375	IHCADCNQVAVMSM-ZDLGFXPLSA-N	519.355	6.194	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409384282	AIMFQVKSXGCDJI-RPPGKUMJSA-N	540.941	5.723	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409395225	LFQQSFVGASFAMU-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1OCC	409396020	VJGRUXWZYAIOSQ-UHFFFAOYSA-N	784.299	8.903	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(OCC)c(OCC)c3)c(-c3ccccc3)c2c1	409397131	GPYRHUJITKTYBP-UHFFFAOYSA-N	591.664	7.014	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397554	LEHJXFSOXHRFJG-UHFFFAOYSA-N	563.013	6.742	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409398152	RFZCLYIVFDKUSY-UHFFFAOYSA-N	577.637	6.542	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OC	409401302	SHCFCZZYMTXAJW-FDVSRXAVSA-N	507.974	5.701	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1	409406380	WLHKVIBMPJUIBG-AEVGBRMKSA-N	677.541	8.223	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	1529548025	WBEFNUXIVWQCHQ-MKEMXLLOSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccc(F)cc1	1529548595	JRMQXZPMLSOAEA-LNZKYNOCSA-N	685.572	5.061	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCC(=O)Nc1ccc(C(=O)OC)cc1	873402	IWFRAHLERGIZKY-LJAQVGFWSA-N	549.583	5.261	50	40	KKGB	
COc1ccc(OCc2cccc(Br)c2)c(/C=N/NC(=O)COc2ccc3ccccc3c2Br)c1	3167962	SWCXXVQMXYASBH-FJEPWZHXSA-N	598.291	6.482	50	40	KKGB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1	3341945	NAECBNMMHPKRQY-XJECJHNESA-N	569.027	7.493	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	4283558	JZYKTQABZTVGCR-XODNFHPESA-N	501.366	5.367	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccccc1	6074281	RTUJIWLDSGYMKR-BIZUNTBRSA-N	516.638	6.157	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1	9259144	VGBZWSLEEORVRJ-JJIBRWJFSA-N	512.009	6.881	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(O)(c1ccccc1)c1ccccc1	9934541	WEQJZNCKYXNZFH-FDAWAROLSA-N	505.401	5.959	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/C=C\c1ccccc1[N+](=O)[O-]	13893366	ZZTQKIBSGDUITB-ORSJXSHASA-N	525.034	5.919	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	59335729	PEUGXANWUBZMDU-UCQKPKSFSA-N	521.444	7.554	50	40	KKGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	59383334	YWXJRBWHFJRYBG-MUFRIFMGSA-N	519.464	6.565	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)Nc1nc(Cc2cc(Cl)ccc2Cl)cs1	96022589	GTNUTVOXJFGJJE-LFIBNONCSA-N	562.450	8.161	50	40	KKGB	
CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c3)c3cc(C)ccc3n2)cc1	97965758	DLIUEVODJOYFQP-XKEUZUKWSA-N	618.553	7.698	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OCc1cccc2ccccc12	97966031	NEHLAYIQHHWDEC-VWJSQJICSA-N	623.447	5.713	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(COc2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)Nc1ccccc1S2	97980846	LQVZUCKVQUIOTG-GMEAVFFOSA-N	541.676	8.295	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(c3nc4ccccc4s3)=C(c3ccccc3)N2)cc1	97984537	DEKYPAKZJBCWQF-WJOKGBTCSA-N	635.214	8.711	50	40	KKGB	
Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C1C(=O)CCC2	98006154	LVOYKWXUGDVLGN-HHHXNRCGSA-N	594.644	5.569	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100124302	ZODJWEJYBYNINN-STBIYBPSSA-N	566.039	5.001	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Br)s3)nnc2-c2ccc(C)cc2)cc1	100853626	SPVAFUBIBOELRN-MXAYSNPKSA-N	542.484	5.318	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1	101082052	JMKIQUGLQOIGTH-RUZDIDTESA-N	526.392	5.440	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1nn(Cc2ccc(Br)cc2)cc1Br	101665753	FXXTWVRBFDHHHR-LIMNOBDPSA-N	531.035	5.527	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1Cl	103889021	JIVGKEAMQZMZHE-CXUHLZMHSA-N	566.666	7.543	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	103889980	ODVVRBKGHLFTJQ-QPEQYQDCSA-N	575.186	5.094	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1	103901980	AJHWPLXYQQUJNM-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
CS/C(=N/N=C\c1ccc2ccccc2n1)SS/C(=N/N=C\c1ccc2ccccc2n1)SC	104244225	GRXWQBQCPXIESA-RFBYJSFISA-N	520.734	6.970	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1	105475463	DIJGTDYQGDUYGW-LGJNPRDNSA-N	532.778	5.291	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc([N+](=O)[O-])cc4)(c4ccccc43)[C@@H]2C1=O	112255005	HLVXIFWXKAFHRS-WKGLYUOSSA-N	605.050	5.452	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	150452944	JZUJSNOGMOVYQL-XZYGTATASA-N	665.603	5.544	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(F)cc1	209488984	CBXFJDLOUZBUKB-CIAFOILYSA-N	513.350	6.781	50	40	KKGB	
CCCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408530622	JXGSOWMRRAATDW-OKCVXOCRSA-N	583.939	7.912	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(Cl)c2)cc1	408537471	FLDYRJDUVLWXGL-OYKKKHCWSA-N	589.475	7.714	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(OCc3ccccc3)c(OC)c2)cc1	408539158	UIRLOIQBISGCAQ-NHFJDJAPSA-N	534.612	6.798	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(I)cc1	408542382	ITQKYFFRBJBSDU-GRSHGNNSSA-N	545.760	6.295	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(C(=O)OCC)c1C	408546005	BXZKVPPAOCOOPJ-VXLYETTFSA-N	620.938	7.668	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408581039	SXGVKYXERLCEJA-VXLYETTFSA-N	590.211	6.404	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1[N+](=O)[O-]	408599345	SVDSHMRYZDCYRM-NSKAYECMSA-N	602.066	6.770	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408606793	BACCFIHUEWTQTA-WKULSOCRSA-N	530.408	5.459	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl	408611934	SMSFXJRARGUUFR-DXRBVMPTSA-N	514.409	5.299	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408725659	MDEHMWUNOJMVSL-MFOYZWKCSA-N	553.325	5.399	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C\c1cocc1-c1cc([N+](=O)[O-])ccc1Cl	408738909	WYELCSOKFFHCKF-LWBMBWMASA-N	559.022	5.931	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(I)c(OC)c3)c2-c2ccccc2)cc1	408742494	PGYHHYXLVQMHAQ-FADJLKOXSA-N	641.509	7.587	50	40	KKGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408752934	KCFGVBIPGOJPTP-NDENLUEZSA-N	523.397	6.460	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408755550	OKDDZVUSBPQBIC-UUASQNMZSA-N	571.085	8.187	50	40	KKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(I)cc1	408760138	SFWACDYHTMCHQM-BENRWUELSA-N	509.130	6.404	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408777280	XLHLVXZMHRDTHV-JWGURIENSA-N	500.555	5.574	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(I)c1OCC	408780944	OADUXASAKFWFPM-AQTBWJFISA-N	533.410	5.480	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1	408792314	APZLIYLSZDPDGG-YBFXNURJSA-N	522.355	5.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408794405	SFFOYHBTYIKJDM-CAOOACKPSA-N	536.242	7.824	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2I)c1	408794481	JHRPWEXDMYSIRK-VCHYOVAHSA-N	654.673	6.982	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc2ccccc2c1	408795970	NUJCGIBGPMCDEW-LPYMAVHISA-N	576.390	6.283	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408804520	ARIHBRJXUIPYEW-JVWAILMASA-N	644.509	7.620	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccccc2)cc1OC	408829187	OPNFGCBYTMMSTI-KEIPNQJHSA-N	621.115	5.345	50	40	KKGB	
N#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408840545	ZFFQYWBUDMGAAZ-IPPBACCNSA-N	566.868	6.636	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCC(=O)Nc1ccccc1	408848370	YHRHXUDNJXNXGM-HMAPJEAMSA-N	634.474	5.455	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1cccc(C)c1	408876615	QLRSZMOQMUWQKH-FSJBWODESA-N	565.464	5.976	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Cc1ccccc1Br	408877428	RNPPXKWKEZHIAR-YZSQISJMSA-N	553.456	7.173	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OS(=O)(=O)c1ccccc1	408888186	SXYFTKHDLNYONO-GZTJUZNOSA-N	700.292	5.608	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408890142	OOOJLDGHSCIONE-DJKKODMXSA-N	582.827	7.841	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1[N+](=O)[O-]	408890441	TYFWWSRFINEROM-MHWRWJLKSA-N	532.361	5.523	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)c(OC)c1	408924106	NYLFAHVOUMYXQX-FUQSLGPRSA-N	671.932	5.020	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccc(F)cc2)c(OC)c1	408947198	AUNFAVCXUPJEGJ-VVYBVRPNSA-N	795.400	5.501	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408964059	MOKRLIJLYFILDP-OCYKZTDOSA-N	633.532	5.656	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	408969655	RPIXNOXTFHDZPK-JJGMFMEHSA-N	584.503	6.945	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408972292	QTZOEWBEXWXMRQ-WUYWSIDGSA-N	782.346	8.686	50	40	KKGB	
CCCCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OCC	408972538	UZMKVTNAWKVHCP-UPSBPNDASA-N	576.532	5.395	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1	408974066	WQSWTKIZNHUBFI-JHEYKUTMSA-N	574.259	5.113	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)c3ccccc32)c1	408977712	FIAZLOFNGUNXTH-OXCCTMSTSA-N	540.664	5.558	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c2ccccc2)cc1	408979572	MWJWGLPZJYYFAQ-AWLRXGSOSA-N	606.542	5.897	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)c1	408997182	LPLLCZPNPUCSPU-MHDJOFBISA-N	625.306	7.300	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408998716	NWENCMMZHHSSJP-ATSFVSDYSA-N	569.492	7.008	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1	409007429	WKMJWJLFILWACW-GOEQXXANSA-N	599.437	6.060	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Cl)cc1Cl	409011167	DYUCTASQBKPSTR-ZVAFCVCJSA-N	519.256	5.749	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)cc1	409025128	LYVIFUAUDWMLTR-AJBULDERSA-N	528.678	5.311	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(OCc2ccc(Cl)cc2Cl)c1	409037951	UZPYGFJNSSIOMP-FDALDRLYSA-N	597.546	8.398	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409041524	JWLCVYWPCZNOHR-WOJGMQOQSA-N	518.367	5.989	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409043957	GANFQGZOFXHAPC-MZFJOGFUSA-N	536.429	7.007	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2ccc(I)cc2)c1	409063236	JGAHZNVNLBYULK-LFVJCYFKSA-N	579.482	6.879	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCc1ccccc1Cl	409064064	BKAMHEZIVRJZIV-HYARGMPZSA-N	507.417	7.245	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1	409071174	IJMICYZNZZHBTJ-QGOAFFKASA-N	557.422	5.170	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccccc1Cl	409083679	UESHGPKUEKVJIK-NTEUORMPSA-N	543.717	6.257	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)cc(Br)c1OCc1cccc2ccccc12	409087283	SRWFGVMJHMNYRQ-CCVNUDIWSA-N	550.365	5.568	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1	409161406	UPTUMIFCEGQWKX-OCSSWDANSA-N	581.467	5.043	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccc([N+](=O)[O-])c5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	409184555	ZBMVKVUCGJORAU-ARJUDPSDSA-N	591.023	5.523	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1	409185879	RVYYRYQYTWPYIO-VUTHCHCSSA-N	532.493	6.049	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)cc2c1	409186323	AJNUMBKDODHPSK-MUXKCCDJSA-N	615.380	5.696	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409210632	KLINFNOTCCHXRG-UVHMKAGCSA-N	534.421	6.122	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccc(OC)cc1	409226868	XLVQRSIVFARFKF-UHFFFAOYSA-N	616.468	6.092	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)c1	409247519	CTRBTGNJQWQXPO-RGVLZGJSSA-N	508.405	6.482	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)cc1	409266811	RNFKMVRXWRMNMZ-QDTIIGTASA-N	573.285	5.918	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2Br)cc1	409268762	AARNYAMEURRDDB-RODHXAHZSA-N	733.486	8.477	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)NC(=O)C[C@@H]1c1ccc(Cl)cc1	409314581	LKPXGJHUGXDJSD-CQSZACIVSA-N	544.780	5.832	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409341159	CYKGORDUYJJHLR-XAZZYMPDSA-N	740.177	6.953	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c1	409369401	MNNIRYXSUCBPIX-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1I	409385960	MUHQDXJFICGGBJ-ZVBGSRNCSA-N	621.194	5.181	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccccc1	409395967	UPQOZLSLCNPCEZ-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397186	HFKXDEPJRQOMRP-UHFFFAOYSA-N	596.481	7.288	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409397673	MQHUUNYTQNYFBF-UHFFFAOYSA-N	654.291	7.729	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409398143	RDMJZAQHEOCTBS-UHFFFAOYSA-N	548.382	6.726	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)Nc3ccc(F)cc3)o2)cc1	409401417	HBERPYVMDZAXEE-RODHXAHZSA-N	660.058	6.748	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409401484	HEPIBZYESBJYIA-CZEFVEKGSA-N	595.008	5.532	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)OC(C)C	409401956	ITRMUJPXZWFPPP-BJUCDSOZSA-N	685.515	5.974	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3ccc(Br)cc3)o2)cc1	409405734	UZHJTDBIQFXZNC-AEUUOICLSA-N	632.942	8.025	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](OC(=O)c5ccccc5)CC[C@@H]4[C@@H]3C[C@@H](Br)[C@@]2(O)C1	575624722	TZBBEXALLZOART-SLHMGNDASA-N	533.503	5.675	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc(Cl)cc2)cc1Br	1529548279	ZRUBAVRCUMJBCB-MOEPSENCSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc(C(=O)OCC)cc1	1529548566	JDEAOLBJCTXPKT-NZDCISMZSA-N	882.515	5.537	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3)C(=O)N2c2ccc(Br)cc2)cc1	935390	RJJSDZXBCKTZFF-YMGIJWJESA-N	518.436	5.823	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Br)c2)=C(C#N)[C@@H]1c1ccccc1	1276347	DVUHFKBKFJSAMM-MHZLTWQESA-N	589.515	6.164	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	1888140	BXLJUAWEPNDVRT-HVBJHMBASA-N	508.430	6.367	50	40	KKGB	
COc1ccc(OCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(I)c1	2765719	HBHJBCFVSLVCGG-LGJNPRDNSA-N	538.426	5.130	50	40	KKGB	
O=C(COc1ccccc1Br)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12	3089620	KXULDUVWWSGKNF-WKULSOCRSA-N	568.265	6.473	50	40	KKGB	
O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(COc2cccc3cccnc23)cc1	3294324	ICHWWGKCRXSJTD-UHFFFAOYSA-N	501.586	5.797	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C	8812765	PPJPYKZFMUFVFP-WYMPLXKRSA-N	505.210	5.392	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)NCc3ccccc3)=C(C#N)[C@@H]2c2ccco2)cc1	12250169	OAQAESOCQSJDCP-HHHXNRCGSA-N	512.635	5.226	50	40	KKGB	
COc1ccccc1[C@H](C#N)N1CCCN([C@@H](C#N)c2ccccc2OC)C1c1ccc(N(CCCl)CCCl)cc1	19325784	FEZAROCYDWBKQZ-VMPREFPWSA-N	592.571	6.524	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	59856491	ITMSUZXLEOSDJV-DFKUXCBWSA-N	543.645	5.253	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)c2ccccc2)cc1	59886399	OIMAFKABHLYYPB-STKMKYKTSA-N	587.698	5.409	50	40	KKGB	
COc1cc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3)n2-c2ccccc2)cc(OC)c1OC	97939446	NWASYMFWWGOFGR-RHANQZHGSA-N	552.056	5.246	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Br)cc3)nnc2-c2ccc(C)cc2)cc1	97939464	URXHODXLSONVKM-VEILYXNESA-N	550.482	5.646	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	97951273	JKLIXBONWIPSCN-VWLOTQADSA-N	538.113	6.676	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1cc(Cl)cc(Cl)c1O	97965756	INIWPNXSDKDRRC-XKJRVUDJSA-N	545.220	6.536	50	40	KKGB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21C(C#N)=C(N)N(c2nnc(SCc3ccccc3Cl)s2)C2=C1C(=O)CC(C)(C)C2	98006155	QOEIIPUXMPMBBG-GDLZYMKVSA-N	623.591	6.493	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2ccccc2O)n1-c1ccccc1	98045821	RWPYAEVNURELNN-RSXURMKNSA-N	612.497	5.129	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1I	100033356	RDIBFPYCURDWIX-FMDHHVHLSA-N	616.455	5.975	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	100124171	QHUXFJSGIJUGCI-KCSSXMTESA-N	554.594	5.459	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100239804	QSZKAUIGBLCQGX-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1cccc2ccccc12	100326328	GMJOMTAKRADZSH-IPPBACCNSA-N	533.378	5.683	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccncc1	100434489	RTFMPCANMURYMJ-MUXKCCDJSA-N	525.571	5.000	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	101422664	IQRQLWXWCRKCSG-WQRHYEAKSA-N	529.368	5.506	50	40	KKGB	
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3cccc(C)c3)=C(C)N2)c1	102808375	BMQMPYWBMXNVLX-HHHXNRCGSA-N	544.633	5.312	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	112257635	JFCGDPXMUHWTKC-RGVLZGJSSA-N	543.446	6.257	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(=O)c5ccccc5)CC[C@H]4[C@@H]3C[C@@H](Br)[C@]2(O)C1	118912424	TZBBEXALLZOART-SCLMKZADSA-N	533.503	5.675	50	40	KKGB	
CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341497	SYYMDTINEAAYAS-NSHDSACASA-N	950.290	13.507	50	40	KKGB	
O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	245231659	HLLGIHOHYYUOEV-UYOMMXDPSA-N	525.970	6.240	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542594	MLHVSJKIQJHGKH-FADJLKOXSA-N	564.686	6.072	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408550730	HAIGCRDMCQEJGH-PXNMLYILSA-N	638.143	7.390	50	40	KKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1C	408569634	OXIZFPZHIWUZCP-MZJWZYIUSA-N	516.088	5.764	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408599283	RTVHBNFLNZUEQK-IBBHUPRXSA-N	578.334	7.795	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408639026	DYFUTCFHXDIGFY-IMWYJMLKSA-N	722.038	7.163	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408650228	LZEZPJHNHKGXAL-OPYAIIAOSA-N	519.812	5.182	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)[C@H](Br)c3ccccc3)cc2)cc1	408682656	LBNJOWMYQOFUEH-IXCJQBJRSA-N	542.429	6.792	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(Br)c1O	408740196	DTHAYSFPGOLWLX-FMFFXOCNSA-N	566.455	7.052	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2I)c1	408746927	HWDSIHMOOWFUMO-CAQPMQTCSA-N	655.330	6.327	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(I)cc3)cc2Br)cc1	408752589	IMWJSCPOADPDSX-ATVHPVEESA-N	623.266	5.676	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1	408759387	DFAVPUFKIPJLLK-WQRHYEAKSA-N	590.293	6.142	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408789256	HWGDPUJTTZMCEV-CIAFOILYSA-N	578.260	7.195	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408792702	CACKXGATCYXEHG-CAOOACKPSA-N	733.127	7.114	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408793853	QLDLQVCFLPSUJA-RQZCQDPDSA-N	542.773	6.144	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)c1C	408793977	HLUDRRQOMKKNDT-VXLYETTFSA-N	621.700	7.449	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(I)c2)cc1	408797376	RKZUPMMAYMRKDG-XDHOZWIPSA-N	572.786	5.856	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408805371	ANIOXALVEARKMB-FYJGNVAPSA-N	590.417	6.592	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1F	408813689	OSNZDZKAINHZTK-BOPFTXTBSA-N	530.191	6.475	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1cccc(F)c1	408819767	RTIRXZXIRBEQKG-NHDPSOOVSA-N	539.401	5.798	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	408830548	NCDCQPOGCASFKJ-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408840951	DVUVDBQUHIVRHU-CHSHITCJSA-N	677.624	9.129	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	408845749	RLINMCMDGZSWOZ-XAZZYMPDSA-N	544.986	6.831	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408846017	IDABVXOSEVKLOL-CIAFOILYSA-N	570.402	6.571	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408848920	XFKUJMNUAHZETE-XAZZYMPDSA-N	567.885	8.538	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c(Br)cc1OCc1ccccc1Cl	408856216	JMYMKSNFYBWQHY-KVAAJVFYSA-N	641.031	8.192	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408859390	WTESEHWVPHQUML-JAIQZWGSSA-N	691.282	6.361	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2cc(Cl)ccc2C)cc1	408860981	KAOYYTUOVSAYKG-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1Br	408861302	QAFXAOBINFIFHL-JQAMDZJQSA-N	651.164	6.288	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(C(C)C)cc2)cc1	408866747	IOZFAYAITQEYDC-FABQOPTDSA-N	611.595	7.178	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(Cl)cc2)cc1	408869273	QHOLEOJJIYKETN-FJEPWZHXSA-N	576.889	6.561	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408877025	SFXRCPKMXVMGDV-RPPGKUMJSA-N	720.099	5.838	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2cccs2)cc1	408877830	XFTSZVPLMUBBKT-VFCFBJKWSA-N	519.648	5.306	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408882528	OTUGMWOWZFINOO-VCHYOVAHSA-N	519.748	7.258	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccccc1Cl	408887131	MGXBKGMKUMSKDT-RQZCQDPDSA-N	623.672	6.840	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Br)ccc3ccccc23)cc1	408892490	ZVPJQKZOANNZGN-OQKWZONESA-N	527.418	7.126	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1Br	408898051	JVSNQPHGALHJQL-UDWIEESQSA-N	570.281	7.043	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12	408943762	IEKCBUUOAQJWIZ-SSEXGKCCSA-N	660.594	5.337	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccccc1F	408966460	LUHJBZFZMMARDU-VFLNYLIXSA-N	514.326	5.341	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1	408967469	SACYQMIIXFPZQW-MYBYBSHWSA-N	621.693	7.861	50	40	KKGB	
C[C@H]1CCCCN1c1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	408974539	BDEDXHDNAKUUCO-VTGLEULNSA-N	508.579	5.025	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1)c1ccccc1	408979287	MDRKHZMXVFMFDL-WWUWQWKFSA-N	554.441	5.364	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	408986037	ZEVFMRWGEDBKIS-MFOYZWKCSA-N	506.216	7.733	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	409000857	ZHBSWYXYSPKTPV-GJIJCKQHSA-N	610.498	5.682	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409005679	JMBYHASNURKZNH-OCSSWDANSA-N	510.421	5.575	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	409011443	NKHPDISOCSDTLM-YGAQXOHOSA-N	610.066	6.536	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)/C=C/c3ccccc3)cc2)cc1	409019685	KEJREINCIKOWPZ-QNLYUNJLSA-N	649.703	7.249	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409031458	GTMOANLGGPCDJG-ATZGPIRCSA-N	601.501	7.798	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	409045393	GNTQSDNJPIAMRA-XDHOZWIPSA-N	597.409	5.180	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409089441	ILTGUTYKRMJVDU-HYARGMPZSA-N	542.548	6.585	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409133157	ZUYKVDARUJSLQS-VWLOTQADSA-N	600.941	6.073	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C2=C1CCCC2=O	409147968	NXFAJWNVFUTNLM-NRFANRHFSA-N	561.249	5.660	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C(F)(F)F)c(OCC)c2)cc1	409151201	GUHBCMJZKJDYGM-AABVJFSESA-N	663.447	5.538	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	409185960	TXRHZNALIWYRAO-IPPBACCNSA-N	577.877	5.549	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)NC1CCCC1	409195985	XXMFPLDUBGDOTM-SXGWCWSVSA-N	724.118	6.045	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409218998	MDPWFZCYFJROPK-UHFFFAOYSA-N	734.626	7.863	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)/C=C/c1ccccc1	409227178	SZRNIYMJSPMCJG-ZVFXIFGKSA-N	554.002	5.984	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409262500	FKVBGELCMFNEKJ-MUXKCCDJSA-N	544.833	5.591	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409268817	AXIYPEMBSLRLGR-FYJGNVAPSA-N	503.986	5.919	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)ccc1OCc1ccccc1	409313861	JFNKDMSFIUWOHN-KYHGBAKBSA-N	589.442	6.078	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1OCC	409320829	FLIAWIBMEBJBBX-LJUMEUDFSA-N	543.447	6.699	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1	409370738	UACCHNDFTTWMNP-DHIUTWEWSA-N	711.568	5.006	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1ccccc1F	409371295	GEKWLVHRAFOUGX-SXGWCWSVSA-N	599.156	6.817	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1cccc(C)c1	409371394	IISOZBWZYRALKL-NDENLUEZSA-N	513.350	6.781	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccccc1	409371972	CQVVNBMNTBZRFZ-OCSSWDANSA-N	533.422	6.353	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cc(Br)ccc1O	409373968	ZXDUYHIRNKIXRQ-BCHBDCPOSA-N	650.176	5.565	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br	409387030	SNVFGGDOYCQJLN-LSHDLFTRSA-N	537.189	5.110	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409396972	DMHHOAYCNPWATC-UHFFFAOYSA-N	562.840	7.778	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(N(C)C)cc2c1-c1ccccc1Cl	409397381	JFXOVIIFQPGDOS-UHFFFAOYSA-N	601.490	7.199	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409397666	MMXWBPAKVBUFQG-UHFFFAOYSA-N	531.568	6.109	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)[nH]c12	409399358	ZWCCJRONIRLPAO-UHFFFAOYSA-N	501.586	6.689	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409400274	NNLSTRIBYVRGEQ-AEUUOICLSA-N	673.520	7.288	50	40	KKGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409400988	FWAJPDWNKRAEJY-MNDYBZJGSA-N	615.322	6.954	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)Nc1ccc(C)cc1	409401716	ICAFWTAGLNZWNO-FRKGHFGRSA-N	764.471	7.890	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)o2)cc1	409405760	VCBJNSPXWSSOLD-QMRORBIVSA-N	617.033	7.310	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC(C)(C)C	1531386400	CWUYLYFJRDJTHH-VTNSRFBWSA-N	594.506	6.978	50	40	KKGB	
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1ccc(Cl)cc1Nc1ccc(Cl)cc1	1717058	CQKLUIZHUNLAAV-MUFRIFMGSA-N	524.279	6.785	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3c4ccccc4cc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1876976	CLJWMWKORUVWBI-SEBMTOOBSA-N	583.761	8.089	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1c2ccccc2cc2ccccc12	2343036	BQJKOEUUDGMVAN-HNSNBQBZSA-N	548.071	7.137	50	40	KKGB	
COc1cc(OC)cc([C@H]2C(C#N)=C(N)OC(CSc3nc4c(cc3C#N)CCCCC4)=C2C(=O)OC(C)C)c1	8451196	PTUMVTDHAWPWND-SANMLTNESA-N	560.676	5.045	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc(F)cc1	8812053	KDXZOGLUJFMTRS-BRJLIKDPSA-N	506.169	5.694	50	40	KKGB	
COc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1O	12468161	MRXMZJNQLCOZNX-LQNQUEJISA-N	529.666	5.497	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)cc1	19948153	FWGNEAVTZHMWAC-AJBULDERSA-N	507.615	5.647	50	40	KKGB	
O=C(N/N=C/c1cccc2ccccc12)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	20059473	WLOHFVLXWJMZLP-WEMUVCOSSA-N	519.626	5.999	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	20171666	JTHBZXNZCGLGEI-VWLOTQADSA-N	520.098	6.648	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc(Br)c1OC	28217867	LTGUJZKVQJUEJY-LGJNPRDNSA-N	519.848	6.176	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2nccs2)NC(C)=C1C(=O)Nc1ccccc1	33354526	KKWLXTDKBBEUGC-XMMPIXPASA-N	531.663	5.248	50	40	KKGB	
CCc1ccc(CCOc2ccc(C[C@H](SS[C@@H](Cc3ccc(OCCc4ccc(CC)cn4)cc3)C(=O)O)C(=O)O)cc2)nc1	72132682	NFIBWZBYFXKDCT-HEVIKAOCSA-N	660.858	6.917	50	40	KKGB	in-vitro
COc1cc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)ccc1OC(=O)c1cccs1	97957752	NXSTUJNUKGZMOR-KIBLKLHPSA-N	647.139	5.793	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(I)cc2)N1	97999780	TWZJAAVAHKZDOC-DEOSSOPVSA-N	612.518	6.059	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	100062211	ZZEAFQVZWLXCIU-BRJLIKDPSA-N	547.203	5.771	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccccc1Br	100120091	VIQKLHJWDKKMBM-FADJLKOXSA-N	583.574	7.075	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100129018	MIFKWCJYKWZWLQ-OKCVXOCRSA-N	556.475	5.142	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)Cc2ccccc2)cc1OC	100304179	MEQYGBUSHLGBTD-FZPRHHONSA-N	629.566	5.759	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl	100405692	ROEJAZDWXDUGLL-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3N[C@H]2c2ccccc2)[C@H]1Cl	101076821	LGHJZYDFGCMCGW-OWBSIYFLSA-N	505.854	7.940	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc(Br)cc1	101421297	LCZOLEYPCDDQPB-OGLMXYFKSA-N	521.440	5.089	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	101753803	VOFRTACVAPQOPC-WKIKZPBSSA-N	519.311	5.318	50	40	KKGB	
CC(C)(C)OC(=O)N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	103543423	SNTZGZNPCZQLKP-GDLZYMKVSA-N	584.694	7.119	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1	103898983	BJZVXCUTLWCHSJ-FDAWAROLSA-N	609.546	5.519	50	40	KKGB	
CCCCCCCCCCCCCCCCS(=O)(=O)N(/N=c1\sc2ccccc2n1C)C(=O)OCC	104099941	OMTDUCOANCGIEC-SGEDCAFJSA-N	539.808	7.325	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1cc(Cl)ccc1O)/N=N/c1ccc(Cl)cc1	104315647	HVQNQLQFOVNERJ-WDDBZUGQSA-N	548.434	6.517	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccc([N+](=O)[O-])cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699184	KWAOBENWCNUMPB-PAPLDOMISA-N	570.671	5.982	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	105437377	OOQGFTSIYURUCW-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)cc(Br)c1OCc1ccc(Br)cc1	112265146	MQLPTPGPASSZEN-BRJLIKDPSA-N	534.204	5.269	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](C)Br)CC[C@]4(C)[C@H]3CC[C@]12C	118917989	CZPMLPQARRFNQN-AHDLQFNGSA-N	537.692	9.728	50	40	KKGB	
CC(=O)O[C@@]12C[C@H]3CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@@H]5[C@@H](C)CCCC(C)C)[C@@]3(C)C[C@@H]1[C@H](Cl)C2=O	118936421	GXMVZVDZUMWBHC-AWHYGCBVSA-N	505.183	7.826	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]4[C@@]34C=C[C@@]2(C1)[C@H]1C(=O)OC(=O)[C@H]14	257348128	BPXYDBBZMNFAEY-DAUNKMEYSA-N	536.753	6.907	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2Br)cc1	408552398	SUULGYCTHOQHQC-VXLYETTFSA-N	611.359	7.457	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408570733	XWTRPXCBHYEYID-XAZZYMPDSA-N	656.451	7.741	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	408578641	AEHHJXCXALPACA-MHWRWJLKSA-N	553.659	6.697	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Br)cc4)c(OC)c3)CC2=O)cc1	408603277	GCXRCWHKEPAXEG-FQEVSTJZSA-N	538.442	5.095	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	408614928	JXZAHRKCJRLXON-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408678873	DPPGYZSGLAFMIS-XVMGYKCHSA-N	646.119	5.237	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(I)c1OCc1ccc(Cl)cc1Cl	408710659	CWGBBLVCFUMOLI-XKJRVUDJSA-N	678.148	7.111	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408726017	OMRIIKDPTGMTLQ-PTAJPZQNSA-N	683.155	7.058	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2O)cc1)S(=O)(=O)c1ccccc1	408728617	PWBFJHBTSPCKIB-UXHLAJHPSA-N	534.037	5.513	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408744808	HJVDBNGWDMIWRC-ODLFYWEKSA-N	537.366	5.289	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1	408744951	IQYNNOKFOIRHDL-PDGQHHTCSA-N	544.776	6.078	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408747567	PRUOYJKHNPRREE-HAHDFKILSA-N	537.532	5.926	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1	408758460	KIYSXJAELMKPRA-HMMYKYKNSA-N	519.351	5.391	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408759295	BOMMKILTGMSTRV-BOPFTXTBSA-N	700.292	5.526	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1C	408763586	TWNBUAPLCPHZDM-MHDJOFBISA-N	566.536	6.894	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(Cl)cc1	408790620	QICIHONHMWQSBE-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)c1C	408793232	DISXEAOUAMKYEL-UFFVCSGVSA-N	659.265	6.509	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(C)c(C)c1	408799866	ITSRXFHSGWSCAC-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408824322	HYKBVLUVCMKOQJ-ACXHZZMFSA-N	596.496	5.698	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1	408833227	WVOHKEOYVCUGAS-BBUXEPKYSA-N	739.703	6.627	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408834050	KYSKSJQYZCUZFA-WGOQTCKBSA-N	672.406	9.921	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1cccc(Cl)c1	408835264	WYPRWDCQYRVETR-ZVHZXABRSA-N	652.372	8.858	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408838078	RGEIKFTVLSVTFC-PNQUVVCRSA-N	663.805	6.222	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408840036	ALQMOZONAGJBFP-RVDKCFQWSA-N	702.778	8.356	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408841933	ISGLTACCQPZXGN-QQMJPZKZSA-N	780.709	9.622	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cc(I)cc(I)c1O	408866270	GXUTVCHOLLKPMR-TXNBCWFRSA-N	705.099	5.113	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Cc1cc(C)cc(C)c1	408869920	SXVJQOQBZBLODV-CIAFOILYSA-N	507.403	6.740	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1c(C)cc(C)cc1C	408876641	MUCCSULWUIIRTB-SXMPYHCESA-N	570.111	5.156	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2I)cc1	408880102	HFBGHUUOJBUUMM-KKMKTNMSSA-N	683.309	6.167	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(C)cc2C)cc1	408881812	NXCKHQWIPYWDJS-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408883313	SOHWLQVIRPVBRU-BRJLIKDPSA-N	513.786	5.187	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Br)c1	408900253	UMLHEIUPRRSMPU-XDHOZWIPSA-N	526.228	6.645	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	408925370	RODLVDMWWOQGBD-KOEQRZSOSA-N	513.553	7.334	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1	408971428	OJVLLGJPEBERFN-KSCRDDIVSA-N	648.587	6.925	50	40	KKGB	
CC(C)Oc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408972028	OKELBNBKRIEYNY-ANMLFWMNSA-N	542.463	5.426	50	40	KKGB	
COc1cc(C=C(C#N)C#N)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408995474	AKPQDKBAQJCEGS-UHFFFAOYSA-N	517.004	6.537	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)c1	408999790	VUUABDNVJXABMJ-KCSSXMTESA-N	570.443	6.301	50	40	KKGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409008978	PNSREBRQGLTKNK-QPDIMOPTSA-N	620.079	6.504	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409009030	QZQNKBRTDXZIEJ-PNQUVVCRSA-N	741.174	6.661	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1cccc(C)c1	409016254	QPNFDOMEDCLZAQ-MNDYBZJGSA-N	534.410	5.422	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409016825	JQEOVIMLVSDLEJ-MNDYBZJGSA-N	533.809	7.345	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1cccc(C)c1	409024284	JGLUFQBZTKWIMT-JFLMPSFJSA-N	505.621	5.465	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409151938	IFAFCNZQRSWGIF-PNQUVVCRSA-N	669.303	5.330	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1Cl	409158297	QZWVXKULKRSCOE-PUHLOBNQSA-N	711.384	5.904	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc2ccccc12	409177123	BHLXPIRJKHUPML-JFLMPSFJSA-N	504.340	5.853	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cccc2[N+](=O)[O-])c1	409218151	DBMVUQBWLIZHSZ-YKQZZPSBSA-N	522.517	5.139	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)cc1	409219647	OSDBKNQYAAKAJL-DEDYPNTBSA-N	548.393	5.107	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	409224793	MUAGJWXROVVBFT-IWRKTJBSSA-N	721.382	6.363	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)n1	409237520	UYWRNEIQCSRGGB-OXUBWTJQSA-N	588.742	6.638	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	409253298	AWBJSIXYZIGFNQ-MFOYZWKCSA-N	614.250	5.991	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccccc4OCC(=O)Nc4ccc(C)cc4C)cc3)cs2)cc1	409253813	CDWJLALAGRUELT-KMUKQRDJSA-N	589.721	7.260	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409261671	CPZJOAVZVIKAKJ-YBFXNURJSA-N	599.400	5.619	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409265505	SXIZRSBTXXKJRK-NUJZUDFISA-N	514.409	5.790	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409269238	HNASHPHPUXLHMF-MOSHPQCFSA-N	611.436	5.570	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409309957	OMNNXJICGVPJAS-MWLSYYOVSA-N	676.420	6.026	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C)cc(C)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409313980	RGRBRLWSOIHORY-VXKWHMMOSA-N	562.475	5.119	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1OCC	409318565	YQJIPDRDFUVTGN-UHBFCERESA-N	514.981	6.018	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	409361018	OOFDGGOJAITFLH-UHBFCERESA-N	660.293	6.629	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)C2CCCCC2)c(C)c1	409369001	WUCCGJAQMBEOOC-VYYCAZPPSA-N	510.487	5.392	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc(I)cc3)[nH]c2c1	409371317	CAEUVTNKMYYSPB-WQRHYEAKSA-N	570.228	6.882	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc2ccccc2c1	409372218	UICUJFUBMRCKFN-CFRMEGHHSA-N	576.390	7.394	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409373092	LILGTWGCWSJPJR-IURWMYGYSA-N	592.704	7.914	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2OC)cc1	409376568	ZOLXIYVPMPRNAO-UNOMPAQXSA-N	505.958	5.229	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1	409383729	CXIHDGMIJZGWDO-OKCVXOCRSA-N	549.421	5.971	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)cc1OCC	409394502	BEYILAPLNZFCJH-UHFFFAOYSA-N	818.744	9.556	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)cc1	409395366	MSBAMCNEBBXRHN-UHFFFAOYSA-N	627.882	7.114	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396816	BNHPZWCVLRFTSH-UHFFFAOYSA-N	567.045	6.546	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Cl)cc1	1529547640	NFVDKBLUFXDZGO-YLDRGEGNSA-N	677.223	5.931	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	1529548050	WIIUPQQFDSIMQE-XINRNAFCSA-N	645.540	5.597	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Cl)cc1Cl	1529548941	QOCKATMNZYDYBN-WWWVXHCJSA-N	711.668	6.585	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(F)cc2)cc1	935108	UNHYASKLQJXFGV-YDYXIROLSA-N	502.527	5.107	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)Cn3cnc4scc(-c5ccc(C)cc5)c4c3=O)cc2)cc1	1784669	CZJRGIGSVANFBS-VWJSQJICSA-N	522.630	5.471	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)ccc3O)n2-c2ccc(Cl)cc2)cc1	1875539	PJDRPIYIYUHELT-UVHMKAGCSA-N	556.873	5.607	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1	2324594	RJDMMKWKUGAPRX-AEPTXUNZSA-N	512.393	6.197	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(Br)cc1OCc1ccccc1Cl	4196271	PBPHQJDTARJNJP-OKCVXOCRSA-N	537.841	6.536	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(C(C)C)cc3)cc2)sc2c1CC[C@H](C)C2	6167126	AOEKCSGVYBISNM-JLCOMEDDSA-N	575.731	6.343	50	40	KKGB	
O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)NN=C1CCCCC1	8396609	CLGGWNBTKNMSCA-UHFFFAOYSA-N	560.465	5.012	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	13387951	PTNZVFJBRZASIA-QGOAFFKASA-N	506.312	5.431	50	40	KKGB	
CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1	16700679	BJMJXVDKFVENMF-YKMWHWIESA-N	518.661	7.283	50	40	KKGB	
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NNC(=S)N[C@H](C)c4ccccc4)cc3N2)cc1C	22840957	MFMMVYFJDMMCDN-PBEJRMEISA-N	516.593	5.030	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1ccc(I)cc1	59856728	AUIMDXOLYJWRCN-CVKSISIWSA-N	602.281	5.334	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(C)cc2)cc1Br	59857012	ZECSGNWVFDZGOJ-HNSNBQBZSA-N	616.537	6.418	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(Cl)c(Cl)c1	59883313	BQIDKXLTDFANLH-UVHMKAGCSA-N	540.856	5.142	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCCCN2C(=O)N(c3ccc(Cl)cc3)[C@H](N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)cc1OC	97966448	YDCZUOFJLRHMEN-VIVICKJKSA-N	671.582	6.601	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1Cl	100130877	CECTYBMTFQXGPW-KBKYJPHKSA-N	525.299	6.547	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	100178358	APLRZSGTSULKND-AVQJHCKASA-N	560.053	5.626	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	100218233	BZIJJAJHYOESKA-SBWWSWLISA-N	565.648	8.293	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)c1	100330407	LZYNYZKRCXGEJT-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)=C(C#N)[C@H]2c2ccco2)c1	101708094	CGGIKQWECDDDSP-MHZLTWQESA-N	589.630	5.220	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)C(C(=O)OCc3ccccc3)=C(C)N2)cc1	102422597	PEJAEDTWIBYMMD-JGCGQSQUSA-N	565.739	7.184	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc(C(=O)O)cc1)=N\NC(=O)c1cc(Br)ccc1O	104316874	VPWRLQMFARGJGI-ADZZFNIUSA-N	618.448	5.371	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	104699994	DFIWMZVINDDCPX-YAZDZCFISA-N	543.736	8.101	50	40	KKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)o1	209516842	LUFMGYPAQVEMSS-KIBLKLHPSA-N	546.171	5.988	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408532568	QILWHFPCZFOYTE-XKJRVUDJSA-N	551.319	5.517	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc4ccccc34)cc2OCC)ccc1OCc1ccccc1	408539426	HLRSKIKKKLWTLS-BIKKEBSBSA-N	653.573	8.322	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408542000	IVXJNGFYKHLITA-SOFYXZRVSA-N	625.100	7.341	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1cccc2ccccc12	408554299	RLFMJUANUMDAFV-OEAKJJBVSA-N	568.098	7.829	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408565866	BRSSVWCEZMNXEB-RZNTYIFUSA-N	551.630	8.068	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1cccc(F)c1	408569784	PXWQYONSKJBLHY-IUXPMGMMSA-N	510.338	6.645	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1I	408570807	YVYBMIAEJDXDJK-WKULSOCRSA-N	615.518	5.750	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1Cl	408646898	JBJCVUXGRGDAJZ-HXQHYZRCSA-N	698.022	6.318	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc(I)cc1	408712024	WEFBZAFUKCJOCH-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1C#N	408744477	LKCWEMIWYNULSS-NHDPSOOVSA-N	502.368	5.762	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408744526	LVOOWINIXZIDCD-WQRHYEAKSA-N	635.150	7.497	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408745406	RSXYRQYMJUEXOI-ODLFYWEKSA-N	522.355	5.799	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)ccc1I	408747832	UKSZSJJGPPTXOM-KKMKTNMSSA-N	629.676	6.067	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408761508	GEGWCKLOSRQBNS-BUVRLJJBSA-N	585.454	6.912	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408762779	LFGIXUIBWNLVKG-NDENLUEZSA-N	542.260	7.609	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(I)c1OCc1ccc(C)cc1	408783408	LBBMQBRKBVMOPY-JLPGSUDCSA-N	609.508	6.969	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408788192	IXELAPSUNKRUDW-WGOQTCKBSA-N	611.439	6.867	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccccc1Cl	408788278	BYWYRQOJYOEHSH-VCHYOVAHSA-N	546.248	7.279	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408792024	GRNWBYVJGCLFIA-VXLYETTFSA-N	585.252	6.807	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408795396	MFASGSSZHDHVPW-GZTJUZNOSA-N	532.221	6.889	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(I)cc2)cc1	408796160	OIMYNWPXLSZZOJ-CPNJWEJPSA-N	603.254	6.577	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)c(C)c1	408796467	YHIQTMRTFDFXEF-VXLYETTFSA-N	652.245	6.776	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1	408796855	ZJDCXCVFFKWAFA-CIAFOILYSA-N	516.351	5.232	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408807369	CEOCORSENQMSLF-CSPQHYJGSA-N	588.535	6.995	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c(Br)cc1OCc1ccccc1C#N	408808452	PRAFSOYWPPVPCM-VQSPOENNSA-N	508.416	5.510	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408823650	FRPPARHWMLSFAV-ZMOGYAJESA-N	699.372	8.619	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)Cc2ccc(Cl)cc2Cl)cc1	408823816	GJNNHSTYJVJPPX-DMWKKASYSA-N	668.386	6.682	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408826947	UHTYXQGQKDFOSD-YVLHZVERSA-N	526.318	5.630	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)Cc2ccc(Cl)cc2Cl)cc1	408829953	NKFDQVOCESJHTN-HIWRWHBISA-N	625.361	7.357	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408837175	ZPYCMVUDDXKBMO-NNLKUIAGSA-N	767.282	5.696	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1	408837793	NSGVKCZLGPPDBJ-JOXMEQDKSA-N	774.148	7.281	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408839286	QCSCPWWRLMQRJB-LBWIDTTISA-N	602.474	7.027	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(OC)c(Br)c2)c(Br)cc1OCc1ccc(F)cc1	408844064	BRSNFYDTMUNMAI-XKJRVUDJSA-N	659.144	6.863	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)Cc3ccccc3)cc2)cc1	408845969	QCJAFNMPZMETJT-BIZUNTBRSA-N	586.442	5.622	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC	408847980	WHFOBCSPXUPFFF-VFLNYLIXSA-N	583.430	6.324	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408848493	VMYLSOYCXYIPPR-APTWKGOFSA-N	560.050	6.211	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)c(OC)c1	408869025	QJJHSPDVDUMYNA-KEBDBYFISA-N	616.306	6.040	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408872621	HOVJSTCPSWJANV-VCHYOVAHSA-N	535.349	7.536	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cccc(Cl)c2)cc1	408875563	KBFPVAHZDLFVCO-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1	408881320	KRZSQWOFJKMXTD-GZTJUZNOSA-N	593.646	6.832	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OCc1ccc(Br)cc1	408882308	QRHBZUKNUXSWKT-GZTJUZNOSA-N	532.221	6.889	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1	408884892	YYCHDKMWTABGDD-DHRITJCHSA-N	582.270	5.060	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccc2ccccc12	408888667	YPZJVARDTDJHRF-XSFVSMFZSA-N	531.395	7.310	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OC(=O)c1ccccc1	408891418	QHTVTFFCAZGHKR-XDHOZWIPSA-N	539.813	6.575	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12	408892631	DBKKJYGFYQSERN-LPYMAVHISA-N	649.441	6.885	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1cccc(C(=O)O)c1	408905056	SNBQHJMYWPJCGG-PPDIBHTLSA-N	591.256	5.961	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408914248	UDGYNUZHNHBFDR-OKCVXOCRSA-N	517.423	6.327	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(=O)(=O)c3ccccc3)cc2)cc1	408921074	RRQGYVWEFYGUGQ-IZYHBKOJSA-N	659.086	6.030	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(Br)c1	408925536	RYJITKHTUQFTBP-GZTJUZNOSA-N	592.129	7.236	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Br)c1OCc1ccccc1F	408926584	XCHIPCQMCIHITG-WOJGMQOQSA-N	509.400	7.240	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12	408943760	IEKCBUUOAQJWIZ-PMERELPUSA-N	660.594	5.337	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c(OC)c1	408950577	HBSCFQSFGODZGC-OQZORREDSA-N	712.785	5.882	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408964058	MOKRLIJLYFILDP-JDXRSFOLSA-N	633.532	5.656	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC	408970202	CONAZKMNICIWHC-AFXIYHOOSA-N	650.341	5.454	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408999386	CQALMRRVADTBAJ-UUAJIBDESA-N	610.925	7.246	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCC(=O)Nc1ccccc1C	409017373	WDQFZFYNKHDUKG-FDAWAROLSA-N	510.594	5.193	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409022384	MKTNKMCBYYERIZ-FTCYSYDXSA-N	596.692	7.897	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl	409041797	JWTWMVJEWIOJEP-QMRORBIVSA-N	635.345	8.323	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)c(Cl)c1	409052084	IEFDXSRBACGMHG-WKULSOCRSA-N	507.815	6.907	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1cccc2ccccc12	409055183	WZNJVCVDFVWQIA-WCMJOSRZSA-N	598.868	7.148	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl	409074076	XRMINVBQRIDFSM-RVDMUPIBSA-N	507.782	5.960	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(OC)c(OCc3ccccc3C#N)cc2Br)C2=C1CC(C)(C)CC2=O	409124689	LIGSZGWDEMXOGM-HHHXNRCGSA-N	591.506	5.291	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409139332	CUZWXIZUMHJXRM-KKMKTNMSSA-N	571.096	6.790	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)cc2c1	409185368	XZWLZPCRYUKJPO-DBFSUHOCSA-N	501.341	6.620	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1	409222501	DIMSPURITVQQFN-MNBJERMJSA-N	552.543	5.147	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1	409225328	MWIRTSOGOAXXLE-MNDYBZJGSA-N	507.424	5.750	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409255245	LBBIHPRQZKMBLS-WOJGMQOQSA-N	513.903	6.230	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409257735	UQACVAZPVNPQPG-AEVGBRMKSA-N	674.610	8.349	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2Cl)cc1	409259871	GWBBFKNQSZUREF-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409262751	GXVXDTQPPKEEQQ-UNOMPAQXSA-N	615.855	6.215	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	409309265	DQJNZMZZGOFIDS-QMRORBIVSA-N	622.505	6.679	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)ccc1OCc1ccccc1	409314902	SZWORHLPLKFANO-HQDYHJHZSA-N	607.476	6.917	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OS(=O)(=O)c1ccccc1	409334998	NRQUIFDLGBBEGJ-GTWSWNCMSA-N	560.628	5.205	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1OCC	409335930	QKDZOLVVCOFKIQ-LQNQUEJISA-N	568.468	5.726	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(I)cc1	409369679	VENZIXBCLKYGFM-APSNUPSMSA-N	663.962	8.766	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1	409371132	BJHPUNYAOLJBTO-NHDPSOOVSA-N	540.357	6.550	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccccc1F	409371806	OWKVHKOEMXAAIT-YVLHZVERSA-N	581.166	6.678	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(OC)c1	409374014	XCXODJGMILQYPK-FJEPWZHXSA-N	563.404	5.661	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1	409378807	RTJIDIADZGODCQ-KYHGBAKBSA-N	531.971	5.693	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccccc1F	409380433	MZNAHZNJRAXVLK-UDWIEESQSA-N	566.427	6.167	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1OCC	409395648	QFXUGWJYOLLZLY-UHFFFAOYSA-N	705.403	8.140	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409396155	WUGXCJYSCRNPSD-UHFFFAOYSA-N	662.294	7.251	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccco1	409397108	GGTWKEUGPFMAQB-UHFFFAOYSA-N	609.807	6.669	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398285	SEIGVTLXJNYKPA-UHFFFAOYSA-N	694.869	6.993	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC(C)C	409407515	ZZVRRQYSEQQIAD-UHFFFAOYSA-N	501.583	5.826	50	40	KKGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)ccc1OC(C)=O	1531387250	XZJGIQLIYQKSHQ-KCSSXMTESA-N	578.537	5.007	50	40	KKGB	
N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	1454151	WADPDTQTMRMDMK-LFIBNONCSA-N	524.389	6.285	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	1769464	RKDGVJWXFBXZPA-XMHGGMMESA-N	543.557	6.314	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	1900657	ATDQMFSZAVJYAI-UVHMKAGCSA-N	554.053	5.130	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)c1ccc2ccccc2n1	3166968	ATKCEHTZFCSVNJ-OCSSWDANSA-N	510.391	6.493	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1)N2	5494539	XLQGIDCCNPDMRP-KAVIJBJXSA-N	516.044	5.281	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c2)cc1	6132189	WMMVVGUCXPCWKK-UZWMFBFFSA-N	581.654	5.121	50	40	KKGB	
C/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C(/C)c1ccc(Br)cc1)c1ccc(Br)cc1	33353924	XVKSJKHEAWCARR-NAZWXXJZSA-N	592.376	6.713	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)c1	58914962	GYWIQIFHGYQMMG-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1	59101465	WYZOSOGMOWTAPK-OGLMXYFKSA-N	504.384	5.591	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1	59117544	ANSQCEJNDQOORN-MHWRWJLKSA-N	501.753	6.420	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)cc(I)c1OCc1ccc(Cl)cc1	59211936	CXGSLAOFHKLEBP-RPPGKUMJSA-N	535.769	5.081	50	40	KKGB	
Br[C@@H](CC[C@H](Br)[C@H](Br)c1ccccc1)[C@H](Br)c1ccccc1	68564408	DULGBCUTCPPZQP-WNRNVDISSA-N	553.958	7.566	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1	97947195	STAQWYPHOIHCHM-FTGODIDHSA-N	542.614	7.042	50	40	KKGB	
COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C1C(=O)CCC2	98006208	CNQWVNRUEQXTEH-JOCHJYFZSA-N	569.634	6.163	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	100063194	JHSVFWCYSXXVOB-KKMKTNMSSA-N	526.645	6.681	50	40	KKGB	
Cc1ccc(C)c(NC(=O)CS/C(NC(=O)c2ccccc2)=C(\C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)c1	100101452	FZTNSNQBOTUCLA-YLVSKIBFSA-N	608.163	7.851	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	100126786	HIMHZARZYQPYOA-STBIYBPSSA-N	610.490	5.110	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OCc1ccccc1	100580322	SIXNEPFDOCUKEZ-YBFXNURJSA-N	522.355	5.799	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1	100960546	FNEXYJVYQFLUPB-XYZDCVNTSA-N	522.457	6.675	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1	101556397	DIEULCFRRHLSHK-MHZLTWQESA-N	536.097	5.961	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(O)CC(C)(C)CC2=N1	102575461	HNBDUIMYMPHWLM-SANMLTNESA-N	501.652	6.535	50	40	KKGB	
Cc1cc(N/N=C/c2ccc(N(CCCl)CCCl)cc2)nc(N/N=C/c2ccc(N(CCCl)CCCl)cc2)n1	104385419	IKZNUVGTINPNJM-CRDPYYQKSA-N	610.421	6.245	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	150385739	GMDMEEQFAIEDFT-OCSSWDANSA-N	644.389	5.965	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)c(C#N)c1C	408547600	ZVYJNRALYXMQSP-UDWIEESQSA-N	504.995	6.056	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408549865	ANJCZNHMRMPXEX-RQZCQDPDSA-N	587.326	7.693	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408549945	AADVFDMWQFRTFY-RODHXAHZSA-N	701.401	7.524	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551140	BWGIXGCTDBBROL-WOJGMQOQSA-N	563.433	6.294	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553366	YDPJZVXOBNBMKF-DJKKODMXSA-N	577.891	6.911	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408565785	AJZWCFVBNXCDLD-VFLNYLIXSA-N	505.829	6.544	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cccc(C#N)c1	408569136	ZARRMHGYDXNNKL-FMCGGJTJSA-N	544.246	7.880	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccc(Cl)cc1Cl	408580912	SLFQOLJGQGALCY-CPNJWEJPSA-N	509.230	8.552	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408641689	LBMXAEBAWWOTCI-LRSLUSHPSA-N	708.812	5.783	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408669450	HANQGXBSCNNUPX-VQHPVUNQSA-N	554.666	5.327	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(N2CCCC2)cc1	408677633	SWXZEUCODRTWSG-LQKURTRISA-N	651.286	5.839	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(I)c(O)c(I)c1)OCc1ccccc1	408736529	CFGPTJOXMLNKBG-KMQTXPKYSA-N	708.294	5.071	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(I)cc1	408741990	MICQEWZFRZAOPQ-ZHZULCJRSA-N	524.358	5.815	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1	408742681	RZQKNXUGLGBOCB-IHELAITMSA-N	572.668	8.026	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408744393	FGKRTPGUQCZCAD-SXGWCWSVSA-N	547.192	6.789	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408747818	UFAYZMOGVFHGNY-MFOYZWKCSA-N	587.224	6.253	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408789243	OTGDZQTUDXAKAA-YDZHTSKRSA-N	593.894	8.359	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccccc1Cl	408789870	SEFBOWLCDQXFGZ-CXUHLZMHSA-N	583.640	7.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408792326	ARWNJFGIVXNAAB-LZYBPNLTSA-N	615.138	8.586	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1	408792444	JYRZYDKGPVCKMF-GIDUJCDVSA-N	709.536	7.981	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)cc1	408792902	MFDZQBQXHWHYSH-XDHOZWIPSA-N	556.331	5.342	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793818	GTYAHAPMPFPESR-LFVJCYFKSA-N	620.874	7.648	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1C#N	408798251	VNZOYEWJAWJCPC-KEBDBYFISA-N	594.365	5.594	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1	408807617	DIRFKBGTRMQAOO-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)cc2)cc1	408828020	KRKXVDOOECTWRE-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408830031	MXXAUFWVHXQVNR-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408833264	XFKDAPJYLLBXJF-VWJSQJICSA-N	582.044	6.048	50	40	KKGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408837608	JTPYAQFWRCWMSC-RWPZCVJISA-N	573.414	5.507	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc(C(F)(F)F)c1	408841713	JYAODDKQNOZFAG-VTNSRFBWSA-N	555.578	5.354	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1	408844386	OEYUFKXOACEVNT-ATZGPIRCSA-N	629.050	6.707	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5Cl)c(I)c4)cc3)cs2)cc1	408847683	UDORPPKZZQPJFN-KVAAJVFYSA-N	678.983	8.463	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	408847790	UQOCIGJVRHBHEI-FABQOPTDSA-N	611.565	8.276	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1	408849300	VYMYYPOPDZXOMY-OJYCWLPVSA-N	554.477	8.102	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)cc2)cc1	408849371	YALGGJVCJMMPRU-FDAWAROLSA-N	511.965	5.884	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br	408855241	DTPMKISXBGUQRN-KGENOOAVSA-N	515.382	7.175	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccccc1	408865940	FJRXNLIEGIEGLI-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OS(=O)(=O)c1ccccc1	408879630	FOWVONJJEWOELI-FOWTUZBSSA-N	503.363	5.315	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1ccc(Br)cc1	408880446	JDKSTSPGYJGAFY-FYJGNVAPSA-N	631.308	7.139	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408883294	UUHWMJSDKHPCNW-AWNIVKPZSA-N	574.289	6.065	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Cl)cc1	408885032	ZSCZCLUIZLRYOI-FDAWAROLSA-N	569.466	5.456	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1	408885895	GMRDUKFNUMIDJM-YBFXNURJSA-N	552.381	5.889	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1	408886117	DLZJSSQUPXYKDT-GHRIWEEISA-N	530.389	5.265	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OC(=O)c1ccc(Cl)cc1	408887217	MSIGXHUVBCELLL-ALQBTCKLSA-N	565.110	6.951	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408941707	QEXQMTKVMQBJEE-MUFRIFMGSA-N	516.038	5.118	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408946500	ALLVYIOQNLQXGZ-NDENLUEZSA-N	546.986	5.252	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408963256	BCZMZUIWFCQPNE-ORBVJSQLSA-N	553.185	7.298	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1	408972616	PRTWAYHCJKFOCM-OJIMSSLDSA-N	699.429	6.989	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2I)cc1	408984565	RWPVTYLIZNRIKK-OCKHKDLRSA-N	621.700	7.449	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC	408999379	CPQXSORTQOEPMP-KVAAJVFYSA-N	666.912	6.364	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1cc2cc(Br)cc(I)c2o1	409014664	XXEWSOSWBUZPSU-KKMKTNMSSA-N	609.645	6.796	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1	409018818	VQIFNANQEOKESU-NUJZUDFISA-N	663.253	5.552	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	409129849	HLKOQPGWYPVAPH-ZCTHSVRISA-N	619.484	5.943	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1C	409173466	NRSOCFXGISDKJR-UKIRIYBZSA-N	618.531	5.961	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	409181210	ZDBASZMNVZACQS-VALPWCMGSA-N	575.668	5.731	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	409200746	IXGJABRBIZTXPI-KKMKTNMSSA-N	563.857	5.631	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409225711	OEBZURWBTQGVOJ-GZTJUZNOSA-N	636.273	6.560	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccco2)cc1	409227451	YPAOHUWSTPQLPT-BCZPCKOGSA-N	558.934	5.476	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409245564	VVYGLCOXJKBYRS-QLTNSANVSA-N	550.409	6.119	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)c(C)c1	409252107	SNTDGHGOLCFNLR-SRZZPIQSSA-N	522.432	6.790	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)c1C	409254130	DDPPYNNTZKWUMC-GIJQJNRQSA-N	562.375	7.192	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409262869	KJVWRFXHKPWZBU-UDWIEESQSA-N	566.427	6.167	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccccc1Cl	409265346	UHSMYKIVMIHTBL-OEHLLJELSA-N	506.002	5.048	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1OC	409322112	KNKUPRWNGKETFR-UHBFCERESA-N	512.965	5.794	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OCC	409324160	SKFOJLKOWBNQPU-FDVSRXAVSA-N	546.407	6.432	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1OCC	409331082	CLCUCFNUPJPLCF-AQLQTECXSA-N	570.300	7.831	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(I)c1OCc1ccccc1Cl	409360183	DALBXKFDKWVKNL-JFLMPSFJSA-N	548.808	5.615	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409364267	WZVPXNGSHTXCJF-XAZZYMPDSA-N	679.271	6.329	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409365605	UWZZTDXXJZXBEM-YBEGLDIGSA-N	539.317	5.060	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1	409371776	ODKBNYAJNYVYEK-GRSHGNNSSA-N	512.303	5.851	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384507	DAGBHMJBINVKHG-RPPGKUMJSA-N	575.359	5.896	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394659	DHHCASTULPRDDG-UHFFFAOYSA-N	733.187	8.492	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397299	IKWSVLKUCWYPPR-UHFFFAOYSA-N	682.051	7.525	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OC	409405644	UEWCZRVMVUUANZ-UHBFCERESA-N	566.452	6.200	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OC(C)(C)C)o2)cc1	409405933	VJRQXXRVDGAOOV-MZFJOGFUSA-N	528.653	6.273	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]12C	504687159	FOKBFEZNNMIQGR-LYLDMPFRSA-N	505.227	9.491	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1	935388	PQEDMIABRXLSED-YWDBVWQESA-N	587.293	5.547	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	1088386	MNFYTNKBFSKSBC-AREMUKBSSA-N	514.676	6.072	50	40	KKGB	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1)c1cnn(-c2ccccc2)c1-c1ccccc1	1390123	NJTJWINSDGJXRC-UHFFFAOYSA-N	524.584	5.467	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccccc3Cl)cc2)sc(C)c1C	1785459	PGPRBVDJEOSGQN-WBBAFLOHSA-N	528.030	5.365	50	40	KKGB	
N#CC1=C(SCCCCSC2=C(C#N)C3(CCCCC3)[C@H](C#N)C(=O)N2)NC(=O)[C@H](C#N)C12CCCCC2	2030101	BCVHNKKPQKXEJY-BGYRXZFFSA-N	548.738	5.144	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc1	3079739	WJOOHWAGBDIACM-GPVZYABLSA-N	550.590	5.032	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	3116342	YFYFCXRVTVARBJ-RPPGKUMJSA-N	566.633	5.613	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(COc4cccc5cccnc45)cc3)cc2OC)cc1	3374215	BJNLZGVNSYTLDR-JEPNHJGPSA-N	561.594	5.814	50	40	KKGB	
O=C(CCC(=O)Nc1ccccc1I)N/N=C\c1ccccc1OCc1cccc(Br)c1	8399232	LUCAKXUWPHPEQZ-DICXZTSXSA-N	606.258	5.502	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)c1	9302112	VQAISDSPMBZENK-JFLMPSFJSA-N	514.051	5.363	50	40	KKGB	
N#C/C(=C\c1ccccc1Oc1ccc(Cl)cc1Cl)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1	12958905	JEJHKOOWVBOCRT-QGOAFFKASA-N	546.435	7.145	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1	20233201	PNRWZVWPDDUMFY-JVWAILMASA-N	520.438	5.128	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1	59117466	UODZPIYNVARKHD-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1	59117514	JKVGSPPGPYXXDE-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c1C	59884325	NYSMHRRPCAMCTG-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1	97965520	GJRWLCWLZKKYKY-BEAWNZSZSA-N	553.062	5.906	50	40	KKGB	
CCOC(=O)c1ccc(/N=C(O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)cc1	97968666	AYDOKPPTHJEHAW-OGCOBRASSA-N	566.466	6.885	50	40	KKGB	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3ccc(-c4ccccc4Cl)o3)C3=C2CC(C)(C)CC3=O)s1	98007234	SNARAFXYKMAPHJ-QFIPXVFZSA-N	552.125	6.893	50	40	KKGB	
Cc1cccc(CN2c3ccccc3C3=C([C@H](c4ccccc4Br)C(C#N)=C(N)O3)S2(=O)=O)c1	100032582	MOEBBLXBMUBNEJ-HSZRJFAPSA-N	534.435	5.284	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1)S(=O)(=O)c1ccccc1	100103094	LDURYISPRGADQN-FMFFXOCNSA-N	573.074	5.710	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122223	YBMNFNVVZOBOKP-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)c1	101052263	CLJSKGHGSRSCIZ-YDRVBMSGSA-N	505.206	5.070	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(F)cc2)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	103527269	CMFZMNNPSJUTDI-OTNCWRBYSA-N	596.027	6.084	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)c(C)c1	104696665	ADLANTVQGIHTGW-VTPIHIAFSA-N	536.701	6.249	50	40	KKGB	
C[C@@H](Cl)C(=O)Nc1ccc(C2(c3ccc(NC(=O)[C@@H](C)Cl)cc3)c3ccccc3-c3ccccc32)cc1	113481890	FGCLSABFJGZVSV-WOJBJXKFSA-N	529.467	7.181	50	40	KKGB	
CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341443	YITPXIPBTGBEJP-SNVBAGLBSA-N	886.256	12.481	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	150597458	FYGJEVHAMUNMDP-CHHVJCJISA-N	720.088	7.235	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	162475449	GHJUZXMEORWTCC-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
CC(C)[Si](O[C@@H](CNC(=O)OCc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)O)(C(C)C)C(C)C	169909994	QZLBJPHMNRGKEP-PKTZIBPZSA-N	538.758	5.842	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1ccc(C(=O)O)cc1	408543647	PQWFQOFEBFBHBF-ODLFYWEKSA-N	560.185	6.395	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2ccc(Br)cc2)cc1Cl	408579338	FWMZSFDQSNBTGI-VCHYOVAHSA-N	560.673	7.255	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408605475	KHTVPUACHJQTHT-MRXNPFEDSA-N	534.827	5.731	50	40	KKGB	
O=C(NNC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccc(Cl)cc1	408647171	BHMGSLFILVWADS-MHWVZRRTSA-N	644.942	5.306	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(Br)cc3)cc2-c2ccc(-c3ccccc3)cc2)cc1	408725450	PCYIKNOUHGBOMV-UZWMFBFFSA-N	535.445	7.041	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c1	408746649	UWHLWNILUNTPRL-IUXPMGMMSA-N	672.144	7.884	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408751155	XCLZZLSWQXLCEZ-FDAWAROLSA-N	590.430	5.331	50	40	KKGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I	408757807	CIYKUSJBEUEVIP-ZROIWOOFSA-N	509.141	5.164	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408761119	BZYDHWOEMQUUJE-DHDCSXOGSA-N	506.172	7.065	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408774074	AFFPLHOWFMXUIW-HNSNBQBZSA-N	580.072	6.700	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc(Cl)cc1Cl	408779669	HEONQBUAXQTLIO-MFOYZWKCSA-N	550.179	6.939	50	40	KKGB	
CCc1ccccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccc(C)cc1	408783495	LWAQSPSEPFQNLK-UHFFFAOYSA-N	511.732	6.530	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408787695	FAFJVNIIZOPZQO-OEAKJJBVSA-N	563.868	8.350	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408791253	VGDLAAVTGKQXRA-VXLYETTFSA-N	614.246	5.821	50	40	KKGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408798920	XOKDMPVZDLERIF-NTUHNPAUSA-N	545.160	5.086	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(Br)cc1	408814057	RBVOOHPLDTXVKS-LQNQUEJISA-N	533.422	6.665	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1cccc2ccccc12	408817962	XEKUKCZABFAFNP-HMAPJEAMSA-N	545.408	7.265	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2cc(Cl)cc(Cl)c2)cc1	408825842	AUJKRLZSDXYFMS-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408834031	SRMQVHDLBMEAST-LGUFXXKBSA-N	634.486	8.214	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc4ccccc34)o2)cc1	408835598	OJPBFTUTXWWRCY-FZKWRIDDSA-N	615.111	5.875	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	408836712	UNLZUBBRWZOCLQ-YDZHTSKRSA-N	778.268	9.463	50	40	KKGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408837594	JNPFYXWOXLVQDI-BIZUNTBRSA-N	537.563	5.865	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3)cs2)cc1	408846042	QJRISNBNAZGMTH-IBBHUPRXSA-N	547.467	8.193	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1	408846299	MMUJDIZOLPXXJB-FZKWRIDDSA-N	569.478	7.526	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(F)cc1	408851621	DNAYXGQXZLRPAR-LGJNPRDNSA-N	516.323	5.238	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408855676	GEVXKJJYLZWOSE-XKJRVUDJSA-N	631.148	7.025	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccc(C(C)C)cc2)cc1	408862865	ITWNVILNBDUWHS-RDRPBHBLSA-N	507.656	5.251	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3cccc(F)c3)c(OC)c2)cc1	408867728	MQPGPGBUZBGHJD-RGVLZGJSSA-N	540.376	6.138	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccccc1Cl	408887782	UDOLWYLWZLXJTD-FYJGNVAPSA-N	547.836	7.389	50	40	KKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC	408890069	NGSUTIMEHAGMPV-LUOAPIJWSA-N	512.941	5.659	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	408890644	XARDZGIJAPGMCD-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
COc1ccc(C(=O)Oc2cc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)ccc2OC)cc1	408892055	AIKUGGIBGNRHLC-QXUDOOCXSA-N	560.691	6.307	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(I)cc1	408894492	IJCIMXGXPPFMLS-GZTJUZNOSA-N	549.195	6.723	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2I)cc1	408895612	NNQDUZOLDYWJEJ-GIJQJNRQSA-N	746.124	6.934	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408904544	LFHMMKIFFHSYAA-PPDIBHTLSA-N	546.805	5.852	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(I)cc1	408909416	HAPKERJKNZTCPQ-HNSNBQBZSA-N	732.356	6.260	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2F)c(Br)c1	408942490	GAWFUSQARXXSEG-NDEPHWFRSA-N	655.546	5.052	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC(C)C	408963591	GWLGBTDXMZNTRE-FARLOSRSSA-N	665.412	6.587	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cccc(C(F)(F)F)c1	408964311	QROYWKCTAIYAPS-KVSWJAHQSA-N	511.725	6.464	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)OCc1ccccc1	408988308	DFDRYGMHCSLSRU-UTAZFMOKSA-N	755.238	6.972	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1cccc2ccccc12	409029799	BNDCVVFNQVVJHT-FDALDRLYSA-N	616.515	8.169	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)C(=O)NCc1ccccc1	409042550	NHIRIMDCFHLNRW-VXLYETTFSA-N	605.124	6.776	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c(Cl)c1	409052618	IVYYUVMMCSNLJC-KBKYJPHKSA-N	581.648	6.425	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409076716	BZLQLFCERLFUDJ-RQZCQDPDSA-N	522.901	6.120	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079795	LXRCMOVJINRWAN-LDADJPATSA-N	539.466	6.394	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1)S(C)(=O)=O	409115143	KKPHBTUDDPGQJX-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)c(Br)cc1OCc1ccc(C(=O)O)cc1	409138050	ZHDTURZNKGIIIP-HHHXNRCGSA-N	624.532	5.508	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F	409174221	MEJYOWKLQWBMNS-RVDKCFQWSA-N	676.273	6.280	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12	409182911	PJFDIYHTLVCHPH-MFOKCENPSA-N	630.531	7.042	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nnc1-c1ccco1	409192666	DSDVHPGTKIFXDV-MXAYSNPKSA-N	563.577	5.504	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409219738	PQSWOPRVWYTYMD-UHFFFAOYSA-N	542.935	5.484	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409223330	GXSYNRYZGYZKLL-UHFFFAOYSA-N	632.069	6.000	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc1	409225049	ODPWOKUFRPBYIV-MWHJJWBVSA-N	706.347	7.063	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccccc1	409233557	SVPYTCMMVCLGHM-VBNMEBLOSA-N	713.151	7.022	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1cccc(F)c1	409242523	VLPAHQAMPBSRCV-WQFTWXBESA-N	523.402	6.350	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409256630	MKYVQCGKARSATC-VCHYOVAHSA-N	510.377	5.874	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)c1	409259032	XDECVVKUJAURAB-YVLHZVERSA-N	514.796	6.518	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409268058	XYGFDPDHTQTKJD-YDZHTSKRSA-N	518.013	5.596	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	409344787	KPDDLRLEZCSYQV-ODLFYWEKSA-N	547.674	7.907	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409361227	BDXAECPAPOMLNO-YBEGLDIGSA-N	558.791	5.813	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1F	409374097	YDGMIRMVYNCFSC-WKULSOCRSA-N	507.359	6.093	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409380240	ADWLAYODLVCJKS-LDADJPATSA-N	540.403	5.964	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc5ccccc5c4)c(I)c3)[nH]c2c1	409392212	NZQWACSBLJAODK-NHDPSOOVSA-N	683.287	7.577	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)cc1OCC	409398111	QRDORIJKKAUXJY-UHFFFAOYSA-N	626.507	7.378	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409399344	ZTKGYXAMRWCJRM-UHFFFAOYSA-N	519.557	5.835	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCC(=O)OC(C)C)o2)cc1	409400061	BEJXVXZSVMHGJL-ACXHZZMFSA-N	574.590	5.269	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)Nc1cccc(F)c1	409406073	VYSINUXBCJWRED-KOKCXWAISA-N	669.666	6.494	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409406713	CFCBOFFQWHAPSG-NGKKQQFDSA-N	634.645	6.566	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	1529548110	XXEGXEGVBVUNCV-AJXABOPQSA-N	808.449	5.426	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccc(C)o1	1293754	VWPWNJFIFCYGTK-AREMUKBSSA-N	593.503	6.066	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccccc1Cl	1950326	FBMMHOQTFIVOMG-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1	2360244	MUKZOJSVLQOFDV-JSIHEXFSSA-N	504.409	5.514	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1	2553562	FRXBKQVBMGNBQY-DEDYPNTBSA-N	514.478	7.545	50	40	KKGB	
CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C3\C(O)=Nc4c(Br)cc(F)cc43)cc2)cc1	2635753	CMXHMIQZRHGRDM-UHFFFAOYSA-N	524.390	6.200	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1cccc(Br)c1	3165764	BDRJQDLNHQSENS-LQKURTRISA-N	545.418	5.656	50	40	KKGB	
CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCC)cc1	8386449	AQYIORYRDCLDJG-OVVQPSECSA-N	505.453	6.116	50	40	KKGB	
CCOc1cc(Br)c(/C=N/NC(=O)/C(=C/c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc1OCC	8453121	YMOXTBHFOXDDEK-ZJOGIAANSA-N	596.478	5.185	50	40	KKGB	
CCOc1cc(/C=C2\S/C(=N/NC(=O)c3ccc(Cl)cc3)NC2=O)ccc1OCc1ccccc1	13372432	WKXGHVWZSOEUEX-HAHDFKILSA-N	507.999	5.223	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	20060702	ZDBDAHJFBHGPAU-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c1C	59886672	VFUBZVBBEIPGAS-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
N#Cc1ccc([C@H](Cl)[C@@H](Cl)c2ccc([C@H](Cl)[C@H](Cl)c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	68563530	SPXGECHQSXUQAE-NEWJYFPISA-N	564.212	7.766	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)sc2c1CCCC2	97946841	TWPYENJYJFICPK-FBMGVBCBSA-N	570.627	5.158	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2C)c2ccccc2)cc(Br)c1OCc1ccccc1	97962949	SOULRPZDIRXSCW-PYDFSNLISA-N	571.515	7.212	50	40	KKGB	
CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1	98001333	SEWMERHLNCAQTG-GOJREDGKSA-N	617.584	8.450	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(N)=C(C#N)[C@H]2c1cc(CSc2nc3ccccc3s2)cs1	98008228	XLEXHAQFCROIEV-SANMLTNESA-N	589.211	8.244	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	100127816	MNVIKKCQCGXTJL-KBVAKVRCSA-N	585.513	6.110	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C)S(=O)(=O)c1ccccc1	100287676	MZKWVVVBQNSLDD-KVAAJVFYSA-N	619.065	6.121	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc2c(c1)OCO2	100400699	OOMCJYSZCHIJQZ-NSKAYECMSA-N	566.633	5.937	50	40	KKGB	
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(SSc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1	100503418	PQVKBTXLXZNAQN-BSLSQCCHSA-N	540.666	5.109	50	40	KKGB	
CCOc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3[C@H]2C(=C(C#N)C#N)C2CC2)c(OCC)c1	100838083	XCYIDOKEMFZAQO-KWRMZWAXSA-N	555.678	7.230	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc(Cl)cc1Cl	100863069	XSOGPIQAIBGDOG-MBTHVWNTSA-N	536.916	7.043	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccc(OC)cc3)=C(C#N)[C@H]2c2ccco2)cc1	101156159	MYWHMVMCIVGKHM-MHZLTWQESA-N	557.628	5.416	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	102160724	BFXCBDYDIVOFRO-HHHXNRCGSA-N	544.633	5.312	50	40	KKGB	
Cc1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)O[PH]21OC(C(F)(F)F)(C(F)(F)F)c2cc(C)ccc21	103835589	AIVVTQOFIHDCNR-UHFFFAOYSA-N	544.272	6.534	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(F)cc1	103884133	VFRRSZNUFXFXEC-KQWNVCNZSA-N	611.455	5.664	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	150370525	AMONMMVLGSHLKR-XJECJHNESA-N	636.479	6.937	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1	150385861	LWWPOEQXRIBKET-MZFJOGFUSA-N	672.443	6.003	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	216062492	OKZNZBKAFIRFRC-IPPBACCNSA-N	566.279	6.896	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2OC)ccc1OCc1ccccc1	408539145	UEPZDXFMRDGNJB-VEILYXNESA-N	548.639	7.106	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ccccc3)o2)c(C#N)c1C	408546684	MQNPSFPODBITRZ-OQLLNIDSSA-N	541.448	6.330	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	408570175	SLRQABGYUJJRTO-VFLNYLIXSA-N	551.492	6.719	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408637810	BDQISGSPFXUKJQ-WOZUAGRISA-N	692.744	5.314	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408640233	HRDLQPBCFZXMNJ-VQHPVUNQSA-N	651.566	5.809	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408644362	RAHDLRMFPQDGTQ-YRXWBPOGSA-N	647.147	5.164	50	40	KKGB	
CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)c2ccccc2)c2ccccc21	408730280	GTECNILOTLIFGO-HCFBOEEHSA-N	541.607	5.052	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3C#N)cc2Br)cc1	408743460	AJAGVNAVOAWWBL-JAIQZWGSSA-N	518.367	5.463	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)c1	408745007	IZKSUHYJQXQLLY-UQQQWYQISA-N	509.581	6.757	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	408753162	IIAPLYJZTZMBIC-MFKUBSTISA-N	541.445	6.803	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1cccc(Cl)c1	408760008	PWVNSTBBHBOSIA-YSURURNPSA-N	525.628	5.742	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1	408788607	LOSQHHACBVBVKG-CIAFOILYSA-N	522.960	6.179	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408790610	QHOKFNNSASDTRB-OEAKJJBVSA-N	697.221	8.678	50	40	KKGB	
CCOc1ccccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccc(C)cc1	408791196	WKKKFOKYZXMPOM-UHFFFAOYSA-N	527.731	6.366	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795372	KYPSETGLECWTTH-ZVHZXABRSA-N	573.432	7.395	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408797643	SGAUOMNXNCXORP-YBFXNURJSA-N	555.812	6.324	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(C)c(C)c1	408803181	MCHFTTXQNGQADU-WSDLNYQXSA-N	553.884	7.551	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccccc1F	408811151	MCHKPCGVDUUQTO-NVMNQCDNSA-N	555.201	6.347	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408828365	LWACCLUHPDGKLQ-NDZAJKAJSA-N	578.488	5.617	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	408832208	QIFUWTDIBXPIPE-KGENOOAVSA-N	657.302	6.589	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccccc1	408839538	UFHVXPLIWUXQGP-ALQBTCKLSA-N	583.113	7.949	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccccc1Cl	408840392	YMKXQOKHGOIPOR-IZYHBKOJSA-N	676.036	9.020	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccccc2)cc1C	408844267	VNNQUTYRYXXGJK-ZCTHSVRISA-N	572.643	5.136	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1	408848268	SRTJTISRHSSYAB-MUXKCCDJSA-N	572.253	6.699	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1cccc(C)c1	408848835	WHVNGSSVXJMBGL-XJECJHNESA-N	617.558	8.520	50	40	KKGB	
Cc1ccc(Cn2cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c3ccccc32)cc1	408850434	ACZFXBDGKDBEGQ-ICUTVXMZSA-N	522.652	7.528	50	40	KKGB	
CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408854267	BFFIAOKRIMEXNW-AFPJDJCSSA-N	500.574	5.774	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408857923	QEQVPRLITMKYAF-CKJBABAKSA-N	614.702	7.831	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(C)cc2)c1	408859680	OVRCONDBNOBFDJ-FADJLKOXSA-N	635.142	5.654	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408863763	QKEPMXHTEYIKSO-AABVJFSESA-N	711.849	7.343	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	408869178	RXZQBHPTKLLVQI-RWPZCVJISA-N	534.465	5.374	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408874843	DJHHWVPGRUJNPN-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1c(Cl)cccc1Cl	408880961	JOKVMRSAVICRPJ-XODNFHPESA-N	552.252	6.506	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3cccc(F)c3)c(OC)c2)cc1	408882870	PGFKRGUPOHXWBA-YBFXNURJSA-N	509.375	6.132	50	40	KKGB	
O=C(O)COc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Br	408886421	HAIZAIBREIRGIN-FLUNURKVSA-N	636.244	5.587	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OS(=O)(=O)c1ccccc1	408896408	QYPMKNRCZKRODE-FOWTUZBSSA-N	503.363	5.315	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)cc1	408900307	VAJXANLVYDWXKF-LDADJPATSA-N	554.340	5.073	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	408921917	LLAMLTQTNBHETD-KCSSXMTESA-N	582.509	6.303	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)c(I)c1	408948663	PRSVZRUBSGODBE-LJAQVGFWSA-N	698.583	5.064	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(F)cc1	408950319	RXPNPOCZOVHFEL-HKBQPEDESA-N	646.741	5.027	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(OC)c1	408958206	XUCRPJBTFCUXKH-PMJAWKLHSA-N	754.849	6.717	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(C)c1	408964854	STGJBLMTHIOPII-VFLNYLIXSA-N	521.333	6.128	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(F)c1	408967618	RGQOCBLHJLKIJN-VYVUJPJFSA-N	600.069	6.872	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccccc1	408968546	XACYKVXYTJFVQN-AMVVHIIESA-N	611.358	5.490	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408970573	BSWJKFMPBSZKAS-AMBALQSSSA-N	572.489	5.436	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408971209	HIORJOAQKICOJV-RBOCJAQVSA-N	516.425	5.622	50	40	KKGB	
CCCCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408971435	OLCRNXJXKZTENY-BRJRNJBPSA-N	556.490	5.817	50	40	KKGB	
O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408974035	VJPISEQOYBZLNI-DMRDCQBZSA-N	565.284	6.345	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	408987114	AKQQMIRCIGFEHV-DVCVSJLKSA-N	607.714	5.916	50	40	KKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1nc(C)c(Br)c(COC)c1C#N	409008622	YWBNHOIDUMQNBH-NUJZUDFISA-N	539.430	5.032	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1	409013035	JVTUGPDJPLLMPC-NAWFDXIMSA-N	591.448	5.619	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409025387	QMZNVUMEYZSQTC-JVWAILMASA-N	520.438	5.128	50	40	KKGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409028304	LOTWXQZDXMZYRQ-JFLMPSFJSA-N	520.438	5.126	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1ccncc1	409040288	HQGZWMJNCUFNCD-IEZYBGGWSA-N	548.602	5.201	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccccc1Cl	409050753	ZIMREPIKNHOTKH-FABQOPTDSA-N	600.900	7.669	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1	409140114	CWRZESJCTJDBBZ-QHCPKHFHSA-N	508.416	5.157	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(I)c1OCc1ccccc1Cl	409182179	IYXQVJDOCQPWHA-UVHMKAGCSA-N	609.804	5.603	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2cccc(Br)c2)cc1	409185620	NLXBAUXTTGENJK-XZKBKLFHSA-N	663.594	5.359	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409200343	IBTUSKXSJOTLCK-IPBVOBEMSA-N	544.287	7.130	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	409219847	VNKOTEJHBNZWLK-UAZXLQQPSA-N	677.895	6.654	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409224768	MNJGZBWDDDHPOK-VYXRGAHASA-N	613.424	5.992	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409251059	OCGCXKQIELWROY-UDWIEESQSA-N	613.427	6.009	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(N)=O	409262433	DOVGBGCAARZVTP-AMVVHIIESA-N	550.040	5.234	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OCC	409309324	FMCRZEDFSOFUPB-LJUMEUDFSA-N	618.443	6.135	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1OC	409314930	HZRFCTFSRAYZET-VYYCAZPPSA-N	562.258	5.962	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409319266	CQXZISREGLLVED-MNDYBZJGSA-N	547.486	5.976	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409322793	XVJBTWKOXHNQET-ACXHZZMFSA-N	698.426	6.260	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)ccc1OCc1ccccc1	409337010	VSUMHAAXUGIQKL-BJUCDSOZSA-N	642.319	7.281	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1	409368495	YVMYZIDXPBOZQG-MUFRIFMGSA-N	516.395	5.904	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)c1	409395723	QYHMRDGNTJGGNA-UHFFFAOYSA-N	790.690	8.776	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)c1	409396039	VQEWJLMPQRAJLV-UHFFFAOYSA-N	636.933	8.696	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(C)=O	409397361	IZPYHXIZUSMOFF-UHFFFAOYSA-N	626.463	6.514	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)c1	409397636	MDXQVGJWSFAUNF-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccccc1F	409400422	DACMQWGWWPYRQQ-QJOVZPHJSA-N	581.644	7.147	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)N1CCOCC1	409400583	DRIXYWYALKDVFE-KMUKQRDJSA-N	679.568	5.429	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1811183	UYJOEQJMDYTJFF-OCSSWDANSA-N	518.086	6.436	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)cc3OC)nnc2-c2ccc(Cl)cc2)cc1	1873481	ZQPUXLQVGAIART-MUFRIFMGSA-N	552.056	5.246	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2cc(Br)ccc2O)c1Br	3050470	RGUOOFAWBRDTGD-LIMNOBDPSA-N	563.084	5.641	50	40	KKGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	3102613	YMJWQWRDRTVDIY-LGJNPRDNSA-N	546.215	5.268	50	40	KKGB	
CC(C)(C)N(NC(=O)N[C@H](c1ccc(Cl)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1)C(=O)c1ccccc1	8453173	PDCUENFHMWBZNY-NDEPHWFRSA-N	592.032	7.845	50	40	KKGB	
CCCOc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)Nc2ccc(C)cc2)N(c2ccc(C)c(C)c2)C1=O	9452677	UNEXMRLLOUIPOF-WCKLRORHSA-N	525.674	6.466	50	40	KKGB	
C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1	12600265	WOCGTLMYPZXGGB-XMDHKWJTSA-N	519.580	5.029	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	12860636	XFGLWOLJMHFBAK-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1ccc(N(CCCl)CCCl)cc1C	19325052	ACDVXXSRYALLRP-UHFFFAOYSA-N	556.578	6.703	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	59647228	VHSJXWCRCDGFIA-IPPBACCNSA-N	608.942	5.223	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	59883187	CLVNELKUJQJRFN-FABQOPTDSA-N	602.034	6.283	50	40	KKGB	
COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2Cl)nc1-c1ccc(OC)c(OC)c1	97965622	DIBRXOVWLFBMAC-PCLIKHOPSA-N	653.160	7.254	50	40	KKGB	
CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1cc(/N=N/c3cccc(Br)c3)ccc1O)CO2	97966244	XAPAURPAVWKZGT-TZYLPTIASA-N	537.414	6.158	50	40	KKGB	
Cc1ccc(CN2c3ccccc3C3=C([C@@H](c4ccccc4Br)C(C#N)=C(N)O3)S2(=O)=O)cc1	100032549	PBMZIEUUVFUCIJ-QHCPKHFHSA-N	534.435	5.284	50	40	KKGB	
CC(/C=N/NC(=O)CNc1cccc2ccccc12)=C\c1ccc(/C=C(C)/C=N/NC(=O)CNc2cccc3ccccc23)cc1	100042258	RINRJDWQJOBHBI-WDESMSNRSA-N	608.746	7.228	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1Br	100378953	FWJCOFAZTDOFAD-STBIYBPSSA-N	566.477	5.098	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)cc1	101513195	GJCWARSKAWDLAA-OGLMXYFKSA-N	551.028	5.527	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	102809948	QIFVBGTVSISYRT-HHHXNRCGSA-N	591.506	6.603	50	40	KKGB	
CCn1c(-c2ccccc2)c(C(=O)/C(C#N)=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c2ccccc21	102988515	XDTLQTWFWLTVGD-OQKWZONESA-N	531.597	6.967	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)cc1C	104114858	ZOLYLRGNKBHDBZ-HKBQPEDESA-N	549.696	7.524	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1Br	104401880	YYMKILLJLKMFLH-BRJLIKDPSA-N	567.075	6.317	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(Cl)c1	164791234	DMFRJJHBUCUDFC-ZSNJKBEMSA-N	666.196	6.297	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795426	HRLWKNGPMQMMNK-IYBDPMFKSA-N	714.248	10.450	50	40	KKGB	
CCO[Si](OCC)(OCC)[C@@H](CC)N(C/C=C\c1ccccc1)[C@@H](CC)[Si](OCC)(OCC)OCC	225817016	XGCBTBASHSIEKP-YPYRWDPYSA-N	541.878	5.734	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(OCC)c2)cc1	408539060	FAPWCVYWRDFRKQ-PNEAAFPUSA-N	580.725	7.749	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2Cl)ccc1OCc1ccccc1	408539297	VDXQTRVPIKETIX-MYYYXRDXSA-N	603.502	8.104	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OCC	408540350	QNOZWHWWNJIAAK-PKAZHMFMSA-N	554.323	7.114	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c(C(=O)OCC)c1C	408547181	TXZXUIHSOFAZHQ-XNTDXEJSSA-N	556.980	5.950	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OCc1ccc(Br)cc1	408550611	IJMNPLKAJDZBMT-HYARGMPZSA-N	588.527	7.123	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1cccc2ccccc12	408579579	IBTFZZSOUBZCGT-CIAFOILYSA-N	600.283	8.793	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1c(Cl)cccc1Cl	408601911	CGDKZVDTAORZII-QGZVFWFLSA-N	514.409	5.467	50	40	KKGB	
O=C(COC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)nc2ccccc12)NNC(=O)c1ccccc1Cl	408645968	NTNSQHMWTHNKCN-UHFFFAOYSA-N	566.013	5.752	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408689419	YZJHPOXSZBRXCL-BQLFOJHWSA-N	566.677	5.183	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1	408725219	IQYQCWQIHZLVKS-ODLFYWEKSA-N	522.355	5.881	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccc(C)cc1	408725244	IXNIYLZYKUZSIH-UCQKPKSFSA-N	566.439	6.685	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccccc5)(c5ccccc54)[C@@H]3C2=O)c(C)c1	408729148	ATLRYQGFUCARDZ-OEYXHEATSA-N	525.608	5.270	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1cc(Cl)ccc1Cl	408752983	KISCAOLBBHMUPJ-LUOAPIJWSA-N	511.192	6.082	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408758599	NNBQIAQJFWWHLT-OKCVXOCRSA-N	598.475	5.001	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1)S(=O)(=O)c1ccccc1	408768909	LPMPBBWQNIPVBU-FNTLCPBMSA-N	618.158	8.114	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(Br)cc2)c2ccc(C)cc2)cc1	408780074	RIZJXONRUKQLMW-NLRVBDNBSA-N	546.512	5.215	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OCc1ccc(Cl)cc1	408788989	NRJYWWAPJIXQPS-UDWIEESQSA-N	527.835	7.509	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408791352	WIRQGLKDSQANRR-YBFXNURJSA-N	574.258	7.057	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1cccc(F)c1	408791363	WPHRODYAQWDCLE-VCHYOVAHSA-N	529.793	6.765	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792833	LPADUHHRKZFYKF-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Br)cc1	408793315	DTXQGUDTSQFTBC-WOJGMQOQSA-N	590.699	7.388	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408793706	QABXREYDXAKOQU-CAOOACKPSA-N	595.118	7.952	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408816079	IREMHXYSXKGNDU-JAIQZWGSSA-N	541.829	5.922	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	408821053	BWLZJAXIXDRFBH-NDENLUEZSA-N	556.254	6.023	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1)c1ccccc1	408827496	JZZPPDBWYMWINK-LEWAKTFVSA-N	619.143	5.326	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408835095	WDUCQFNJADZVTI-CJLVFECKSA-N	527.407	7.283	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408839467	SSMSGZGKZMOLSZ-UXHLAJHPSA-N	512.635	6.590	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408841039	IMUAAXLVVMCUTF-HAHDFKILSA-N	594.520	7.140	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408844220	NACVSRYSGSYDNT-KPGMTVGESA-N	611.279	6.991	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(Br)cc1	408847568	SXIOUSHPYMDAED-XJECJHNESA-N	706.460	8.739	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408851313	BFYHVOZSTATLQV-NVJOKUIPSA-N	557.784	5.898	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(I)cc1	408856491	KLDZAMBUASOJIK-NVJOKUIPSA-N	684.122	6.914	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)NCCc3ccccc3)o2)cc1	408866831	GVZCALXCMJRUPO-HQDYHJHZSA-N	627.550	5.095	50	40	KKGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408869919	SXRBONJSPZXDFY-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl	408887557	RPSFGEYUBBRTLO-LDADJPATSA-N	526.376	6.733	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OCc1ccccc1Cl	408889661	IPCDNAUPQSMYAK-MWBNBJEGSA-N	585.572	7.965	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1Br	408890505	UVJVRYNIGUFDMW-UDWIEESQSA-N	617.281	6.886	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	408905355	XSPOIYPUXHWGCD-NVJOKUIPSA-N	553.756	5.971	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)c(OC)c1	408947893	BPAUPXPDLVUILU-QBQWNGAHSA-N	821.419	5.090	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	408951992	UUIFELMXTGJLLE-MUUNZHRXSA-N	657.576	5.466	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	408968673	AWIWQHRIEJUCOY-KMVZYDLRSA-N	659.825	7.981	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1	408971427	OJVLLGJPEBERFN-IIIJJGCOSA-N	648.587	6.925	50	40	KKGB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)c2C)cc1	408978014	GRICGSLXOCKVOS-RZWSOBKFSA-N	590.721	5.611	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(F)cc1	408982006	XFIJMJVVMRJKLS-PYDFSNLISA-N	539.607	5.815	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccco1	408997928	PGDCSAHEXQSDBX-AMVVHIIESA-N	601.240	6.584	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)cc(I)c2o1	409011975	PLYXRQIXCDUGCO-FOKLQQMPSA-N	579.148	5.263	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1ccccc1	409024376	XOZXHZZEZORUDF-MUXKCCDJSA-N	574.802	6.432	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1	409027199	BYYWBLDACCJQSO-UZWMFBFFSA-N	542.705	5.619	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2OCC)cc1	409037501	SPPAGFPYQOHXIJ-FDALDRLYSA-N	699.545	7.425	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	409062705	ZIKVFMYEUJMCJC-ATZGPIRCSA-N	616.954	6.567	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccccc1F	409105724	KEOGLUXEYCWQKY-XMMPIXPASA-N	586.357	5.355	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)c2C)cc1	409119798	XTZTWYWVMUPLPL-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc2ccccc12	409125235	CRIJLHHVSHZULF-HKBQPEDESA-N	551.687	6.200	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(I)cc2)c(Cl)c1	409130394	HRGPFZMTAKDNFF-JOCHJYFZSA-N	530.749	5.447	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cc(C)cc(C)c2)cc1	409183395	BULOIKVRJIPKHR-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)cc1	409214389	UVNWCWRSNWVBGM-CCVNUDIWSA-N	594.902	6.473	50	40	KKGB	
COc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)cccc2[N+](=O)[O-])cc1	409220178	YZCBFJMGPXMNFQ-MNBJERMJSA-N	552.543	5.147	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1	409227277	XSPYTJAZDFFULW-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409235078	AVFUXAQBALZDEV-SYERDGIWSA-N	507.949	5.290	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)n1	409240919	VKRGFOGARXYBPA-LSFURLLWSA-N	511.854	5.496	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C	409252977	AFCIHVSFLLQCCK-STZFKDTASA-N	503.986	5.919	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409258522	XHNVCLRPZZGOHC-YBFXNURJSA-N	598.881	6.381	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl	409260155	LPXNVHILLYAMIV-LZYBPNLTSA-N	619.697	6.442	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)c1C	409260226	MYSBYWGAJKDJRP-ODLFYWEKSA-N	583.280	6.392	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409262969	GKJYHZKZUVMUDL-GCBPCVQVSA-N	554.474	6.091	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1C	409265613	UDUOWYDSXQQNOT-ZDLGFXPLSA-N	617.725	7.045	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(C)cc3)cc2Br)cc1	409271035	JNSPPDJNGIEGQR-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)ccc1OCc1ccccc1	409323971	QIVMXIMPGHTLTR-LJUMEUDFSA-N	585.465	6.113	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccccc1F	409384764	GBCNWIZGTVMYHS-DLCNMLRHSA-N	600.075	7.128	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)c1cccc(F)c1	409391202	HXPNCGXGMGJYGU-ZDLGFXPLSA-N	581.166	6.678	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccccc1	409394554	CDIJTWQVTDIZAQ-UHFFFAOYSA-N	685.294	8.362	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)cc1OCC	409395915	TYZWJGMUOOXEMI-UHFFFAOYSA-N	735.429	8.149	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409396355	XXXHWDMSVOIFTG-UHFFFAOYSA-N	753.291	9.381	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397368	JDUJKPUXZQKTBV-UHFFFAOYSA-N	660.863	8.806	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409398659	VAOSOAYJAUSWKR-UHFFFAOYSA-N	595.099	7.245	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398954	WZXYNBCCDCYJQL-UHFFFAOYSA-N	725.821	8.404	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	1243283	ISGOYJPUWILLMS-AREMUKBSSA-N	501.652	5.695	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1	1790730	XAVPTGIQKKLDFH-CKVBZJJFSA-N	538.854	6.167	50	40	KKGB	
N#CC(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)/C(O)=N/c1cc(C(F)(F)F)ccc1Cl	3224299	FDFWWDXAKQEXAE-LDADJPATSA-N	550.924	7.178	50	40	KKGB	
COC(=O)[C@H]1[C@H](CBr)N(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12	8386472	IEGXNGWHVKFPCB-XZOQPEGZSA-N	508.803	5.335	50	40	KKGB	
O=C(CSc1nnc(CNc2ccccc2)n1-c1ccc(Cl)cc1Cl)N/N=C/c1c2ccccc2cc2ccccc12	8397004	IUYXRHJBAALXFA-IZYHBKOJSA-N	611.558	7.735	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)c1	9311017	FVQXGFIJCSJCIE-NDENLUEZSA-N	511.405	6.915	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	19828945	MUMDKPQHTAPQJR-OGLMXYFKSA-N	514.047	5.208	50	40	KKGB	
CC1=CC[C@@H](/C(C)=N/NC(=O)CNc2c(Br)cc(Br)cc2Br)CC1	53275960	UJFZONALKZWQMT-VTGBELTLSA-N	522.079	5.625	50	40	KKGB	
C[C@@H](Br)CC(=O)NC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	95676363	XGNJPEGIXLDMAQ-SECBINFHSA-N	604.229	8.141	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3Cl)NC3=C2C(=O)CCC3)cc(OC)c1OC	97951664	IJVPPEFUOLLNPX-QHCPKHFHSA-N	531.461	6.382	50	40	KKGB	
CC(/C=N/NC(=O)CNc1ccc2ccccc2c1)=C\c1ccc(/C=C(C)/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1	100026358	WVJVLISWSYZUSQ-CVYDWPLASA-N	608.746	7.228	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1	100063609	CFGUYZVYPNIRNC-RUMWWMSVSA-N	550.055	6.337	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)o2)cc1	100211097	BCKKJHQDMTWHKW-ZCTHSVRISA-N	559.644	5.086	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)Cc2ccccc2)cc1	100350299	VOCOWJNTVXDGFU-MNBJERMJSA-N	565.095	5.097	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccc1Br	100477808	AYSXMDJUOYFGHZ-UZWMFBFFSA-N	565.427	7.246	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)OCc3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)cc1OC	100573330	YBEZUHWEHBAORB-LJAQVGFWSA-N	555.656	5.515	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3F)N=C3CCCC(O)=C32)cc(OC)c1OC	102868527	CAQKMMIYEYRFGD-XMMPIXPASA-N	523.586	5.493	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccccc1	103776313	FOVKWMMETXWPAE-YVLHZVERSA-N	593.646	6.832	50	40	KKGB	
N#CC1=C(S)N[C@](O)(C23CC4CC(CC(C4)C2)C3)[C@@H]([n+]2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)c(Cl)c1	104029431	UETOMYZMPXKZIT-LJYNQRATSA-O	563.574	6.932	50	40	KKGB	
C[C@H]1CP(c2ccccc2)(c2ccccc2)(c2ccccc2)O[C@@]1(C(=O)c1ccccc1)c1ccccc1	104133487	WXQHBTVZSGKQLB-JADSYQMUSA-N	514.605	6.876	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	104403268	HVIMJKOPSOCUAD-IPPBACCNSA-N	566.279	6.896	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4cccc(Cl)c4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709403	ISOVMEYNUFAMEG-BTQJMXPFSA-N	562.135	6.957	50	40	KKGB	
O=C(CCCCCCCC(=O)N/N=C(\C=C\c1ccccc1)c1ccccc1)N/N=C(\C=C\c1ccccc1)c1ccccc1	109040482	DFFZVOLNHOLTLS-WYQFZBOHSA-N	596.775	8.185	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)c(Br)c1O	111904491	IBTCLLZHLHZHMZ-VZUCSPMQSA-N	500.574	5.433	50	40	KKGB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CSc1ccc(N(CCCl)CCCl)cc1	118934999	IIAURZWRQXTDJL-ILQNCKNOSA-N	594.645	5.866	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341932	JVRKZTWHEYJEDI-OAQYLSRUSA-N	840.525	14.231	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI	150341971	KHGHLOYBMLYJPS-UHFFFAOYSA-N	874.054	10.633	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	150376958	XTCCKBNHEIZXEG-FZKWRIDDSA-N	640.593	5.743	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)c2C)c(C)c1	150385299	GLBWUHBBVOTANX-NNLKUIAGSA-N	639.221	7.832	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	150385723	BORPGPXCOSKTLK-OCSSWDANSA-N	644.389	5.965	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1I	163907896	YVXAOQJBBIOGOT-CCVNUDIWSA-N	663.253	5.079	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	164583630	QNZBFDFCHRPQRG-ORBVJSQLSA-N	689.675	5.419	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795292	LKBRVJJAQWSEDF-RNFRBKRXSA-N	788.033	9.481	50	40	KKGB	
C[C@]12[C@@H](c3ccccc3)C[C@@](C#N)(O[Si](C)(C)C)[C@]1(C)[C@@H](c1ccccc1)C[C@@]2(C#N)O[Si](C)(C)C	169809294	LRHBAWMZMYGFDN-OKXKEXSSSA-N	516.834	7.602	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	216062052	XESXMWPFMYGZEV-MZJWZYIUSA-N	685.256	5.936	50	40	KKGB	
COc1cc(-c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)c(OC)c2)ccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	245285886	ZGTOLWFJKMXNQF-HHDZHVRDSA-N	856.200	5.935	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408541003	XDSLGRNDYCRZAU-MNBJERMJSA-N	541.560	5.534	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)c(C(=O)OCC)c1C	408546262	FQRQCRSYXUZHDH-SFQUDFHCSA-N	511.983	6.042	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1	408551281	JVLJWAGYUZUJDJ-NVJOKUIPSA-N	614.121	6.229	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408565769	ADOPOXKRYMOAMQ-NHDPSOOVSA-N	551.340	6.113	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408566770	BCRUOKNSGKDHFH-CHHVJCJISA-N	655.636	7.208	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408568387	JHRRRMBCASMKKE-AMVVHIIESA-N	590.098	5.513	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1	408568569	KMADYYYRCUOSLA-CCVNUDIWSA-N	561.498	6.175	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1)Nc1cc(C(F)(F)F)ccc1Cl	408683081	HIQDFORVMMSUOI-FFTGTZRRSA-N	589.781	5.124	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)[C@@H](c2ccccc2)C2CCCCC2)cc1Br	408722347	HNMVNTIGJFVIIN-LEEXQRRLSA-N	508.254	6.034	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1	408726120	POCPEEMMSYZTGV-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408744008	DDGIGHJXRSQSMR-WQRHYEAKSA-N	555.328	5.333	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408790788	YSPHRXRAQHGNQE-DEDYPNTBSA-N	539.813	6.404	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1	408792542	KQGPJAVWWCLLJO-DEDYPNTBSA-N	506.356	6.044	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408794801	JGLNVUIGROVMBO-VCHYOVAHSA-N	590.257	6.676	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1cccc(C)c1	408794872	JLNATJLUEAJAIC-UDWIEESQSA-N	507.384	5.987	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1	408795663	MRQOAEGBIRFZDH-HMMYKYKNSA-N	500.396	6.396	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1	408799411	ZENBFLUMDFUDQZ-LPYMAVHISA-N	531.395	7.058	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)c1	408812135	NURBDLZOKFVETI-QJOMJCCJSA-N	550.684	6.841	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1C	408823544	DXPNPJRRWKNIKV-UHIZKJEFSA-N	647.968	6.337	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1	408824971	CKSQOQNIILFRFX-DPNNOFEESA-N	606.169	6.302	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccccc2Cl)cc(Br)c1OCc1ccc(C)cc1	408830063	RAXZRGGDKVIHKZ-NQUJNFRPSA-N	513.819	6.162	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408836772	VIVDZQNFQUWUTI-JJIBRWJFSA-N	539.975	6.952	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(Cl)cc1Cl	408846773	YZLAKBKHBGEQJO-PONZDJLKSA-N	735.353	8.097	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408857727	MANFXKOREHMCIS-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1Cl	408858562	QIACLEXIWDRLKO-FDVSRXAVSA-N	523.814	6.920	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	408861255	AZTNRRUGKPGQQX-LZOGPRKMSA-N	639.561	5.595	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	408866532	GERUUIWLTJEWCW-YIMMMDCSSA-N	746.849	5.988	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408870657	WIRLJSBBWMISOY-SRZZPIQSSA-N	596.434	5.576	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408882077	PDYUGFXCCDEHCQ-ALQBTCKLSA-N	642.561	6.325	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cc(C)cc(C)c1	408887583	RZPVWARZWAQFMQ-KEBDBYFISA-N	606.382	7.060	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OC(=O)c1ccccc1	408888636	YESLSRHBBJIOIN-WOJGMQOQSA-N	572.786	6.027	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1	408895670	NTKPKFSFEKVYFF-UVHMKAGCSA-N	517.807	5.771	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2ccccc2Br)c1	408897057	QEHAWUHTKZODJV-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2OC)cc1	408897375	RUKXHQSTFQENOO-CXUHLZMHSA-N	531.779	6.429	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OCc1ccc(F)cc1	408924689	NPMZQJPIBRIZSK-FYJGNVAPSA-N	578.381	6.717	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(OC)c1	408953489	LVMWCTRIUQMVQT-FKZKYSLJSA-N	730.956	5.318	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(OCC)c1	408954844	ZULXVMSSHJAZRO-HKBQPEDESA-N	753.672	5.489	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(Cl)cc1Cl	408961222	BNTAPZVLCRVWSO-HIWRWHBISA-N	537.365	7.092	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1	408979261	LWEMSYIUCQXMIV-MVAKIDQKSA-N	547.652	5.225	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c2ccccc2)cc1	408980643	RXIFWCBCPGCCSC-ORCNLAPZSA-N	629.580	6.321	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1Cl	408985346	WOHISMFFVODVBQ-IWIPYMOSSA-N	530.455	7.834	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)n1	408990373	KWLAMIIFYJUIBQ-ZDLAHBLPSA-N	612.693	6.096	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1	408992278	RDMIAFKROGDTJX-ZHSUKTGHSA-N	678.535	6.992	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1cccc(Cl)c1	409033452	LJHLJWMVQKYKBL-XJECJHNESA-N	662.009	8.630	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccccc1Cl	409040931	ISLUBDNBNCHVMT-KVAAJVFYSA-N	603.531	8.212	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	409045650	GWVQAUNLSNTODB-NTUHNPAUSA-N	528.122	5.788	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)c1C	409069966	MLPDMDVUXAYJKI-LICLKQGHSA-N	624.738	6.795	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409138779	HWNKBRUNLAVJQT-OAQYLSRUSA-N	550.236	6.158	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C2=C1CCCC2=O	409147519	MIYNEWHMQARELG-OAQYLSRUSA-N	612.149	6.827	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Br)cc4)c4ccccc34)cc2c1	409184144	JAOVZKSGQFLFHF-UHBFCERESA-N	530.422	6.669	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409192389	CBEFSZBKWNYNRN-LGJNPRDNSA-N	579.778	5.594	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccccc1Cl	409194078	NIMZIQVRRRLQJM-WQRHYEAKSA-N	503.824	6.046	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409228106	ZZWGVFIGXANCKI-BSEMVRIQSA-N	518.740	5.938	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)NCCCc1ccccc1	409241427	NGEVKACLZGABCN-LGMDPLHJSA-N	501.833	6.503	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl)Nc1ccccc1Cl	409257457	PAQODXRLWVWNRJ-QNVXDBMFSA-N	650.975	8.295	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	409258357	UTGOWBLTBLQAOP-WJDWOHSUSA-N	500.769	6.210	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1	409264612	LJRYBGQJXXZVIR-ODLFYWEKSA-N	524.404	6.182	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1OCC	409311178	YMFWUSDPQCZRLK-DICXZTSXSA-N	581.872	5.432	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1OC	409318608	XFQZPVMDZPRRCA-FDVSRXAVSA-N	592.405	5.579	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409325769	AVPJNVCYDHVSPO-ACXHZZMFSA-N	616.896	5.856	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OCC	409326969	PGHDTJJETVHWDI-LQNQUEJISA-N	598.450	6.062	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371765	NRPLEMMITDIKOG-ZDLGFXPLSA-N	527.274	5.751	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409372733	IDMBHXNLPQQYND-JFLMPSFJSA-N	516.466	5.230	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1cccc2ccccc12	409374491	RABHOKLZBWYSDJ-UCQKPKSFSA-N	538.445	7.829	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409374981	CNJDFSFEMRKXOF-QDTIIGTASA-N	593.247	5.531	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Br)cc1	409380204	KFDMTGYAAVMPSM-CPNJWEJPSA-N	520.383	5.329	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386275	PEBPWFMXETXMCU-RPPGKUMJSA-N	636.265	6.520	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409394670	DKQIPJSGONRXLA-UHFFFAOYSA-N	741.820	8.022	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396307	KOPXIHDFTPFRNZ-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409396666	ZXEHAQWPSKQSKK-UHFFFAOYSA-N	679.796	8.613	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409396993	DUNFBTYEGIZSGL-UHFFFAOYSA-N	547.611	6.534	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409397050	FOPDJVNDIQOZJC-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409398348	DAXLAROWMZQVBB-LJUMEUDFSA-N	534.012	6.257	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398690	VEYBMNMYMGXDDL-UHFFFAOYSA-N	627.311	8.440	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccccc1Cl	409402044	IYBLJKJTUYLMER-KOKCXWAISA-N	676.995	8.424	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3ccc(F)cc3)o2)cc1	409402643	KJIOYXDAPYKKCW-RODHXAHZSA-N	650.932	8.164	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409404860	RCSBXDZVWMHCOE-CAQPMQTCSA-N	559.619	5.371	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409405420	TZUUTMZOGINSGJ-HHGZQQQNSA-N	598.483	6.667	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(Br)cc1Br	409406850	XRDXAHDCHMHITM-ADJDCTSUSA-N	786.315	8.905	50	40	KKGB	
COc1ccc2c(c1)CC[C@@H]1[C@@H]2[C@H](C)C[C@]2(C)[C@H]1CC[C@@]2(OC(C)=O)C(=O)C(Br)Br	575625252	CQPHZFNOXSLULF-PBZCVTAXSA-N	542.308	5.784	50	40	KKGB	
O=C(CC[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F)OC(=O)CC[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	885164231	WRLHSXVOBDKSJB-OCAPTIKFSA-N	566.179	6.553	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)ccc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1860485	UZLGOOOSNIUELN-OKCVXOCRSA-N	578.536	6.251	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1	1875270	RNUTXHIDISADDX-CCVNUDIWSA-N	570.900	5.910	50	40	KKGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	2199796	NREHWXSTCZQXEU-CYVLTUHYSA-N	515.466	6.592	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)N(c3ccccc3)c3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1	2215125	VCVDUUMSTNMFGB-SSEXGKCCSA-N	549.696	6.858	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)ccc1O	2347317	IJKBERZUBFWTGH-DHRITJCHSA-N	510.666	5.330	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	9088916	OEWMGCIULXSMPJ-DEOSSOPVSA-N	508.043	5.786	50	40	KKGB	
COc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(OC)c1	9339752	MCFKHBKVNJHVPS-KAMYIIQDSA-N	510.369	5.673	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)NC3CCCCC3)=C(C#N)[C@H]2c2ccco2)cc1	12250156	UVEZCIQPTRJLHX-SANMLTNESA-N	504.656	5.359	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1Br	20760651	LRECYDQADLIOFU-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	36245413	CJOYDLIVWDNREM-FAWNLFFVSA-N	509.433	6.764	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccc(C)cc4)c3C)sc3c2CCCC3)cc1	59249036	PUIFGPYIJUUOGC-KCSSXMTESA-N	524.690	6.667	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2ccccc2c1	59336489	RTGJGHOONZKJTH-XYGWBWBKSA-N	513.424	8.000	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1C	59432668	ZDQKUCFOLDQTTD-BUVRLJJBSA-N	511.419	7.344	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(CSCc2ccccc2)cc1	59473749	LGDRIACHEAHFJW-KEIPNQJHSA-N	516.666	7.616	50	40	KKGB	
BrC[C@@H](Br)COc1c(Br)cc(Br)cc1Br	72399498	QXWYPAKUEHGJSG-ZCFIWIBFSA-N	530.674	5.511	50	40	KKGB	in-vitro
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	85340661	JYZNDQLCHFXCEM-SVCTWONGSA-N	561.601	7.083	50	40	KKGB	biogenic,in-vitro
Cc1ccc2c(c1)c(/C=C(\C#N)C(=O)Nc1nc3ccc(S(C)(=O)=O)cc3s1)c(C)n2Cc1ccc(Cl)c(Cl)c1	97964274	CNJBQCWXPAIJFX-XDHOZWIPSA-N	609.560	7.172	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc(Br)c1OCc1ccccc1	97970884	RDUBLWPZKFLPKV-FADJLKOXSA-N	613.556	6.123	50	40	KKGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21	98008196	UZORWRPDQNOJLL-PMERELPUSA-N	539.422	5.932	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	100065225	MQILFEBEFDCCPB-JVWAILMASA-N	569.308	5.800	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)Cc2ccccc2)cc1	100070356	DDAUEYFIOJKUSM-APTWKGOFSA-N	585.730	5.011	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1	100154872	XQJLVZYKUQTDDK-DFKUXCBWSA-N	584.016	5.502	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)o2)cc1	100221267	ZZQDTKFTMQXKFE-AMVVHIIESA-N	542.539	6.035	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	100239864	IYLFQIKSUNCGFB-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1	100336653	VYCZRJDINNBNIE-ZDLGFXPLSA-N	580.647	7.359	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	100475493	KAQWFOFIUSPPMC-YRNVUSSQSA-N	517.679	5.725	50	40	KKGB	
O=S(=O)(c1ccc(Cl)cc1)c1oc(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	101412807	ZXEATQCVWNDUPJ-UHFFFAOYSA-N	581.053	6.447	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])N1	102810106	HMZLVLNXLRVTHQ-VWLOTQADSA-N	545.646	5.671	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cc(C)ccc2C)cc1	103901090	FIEZJQQWSGNEEE-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl	104899208	JUIYQJAHJVHWEV-KVSWJAHQSA-N	520.800	5.632	50	40	KKGB	
Cc1nn(-c2ccccc2)c(O)c1C(c1ccc(N(CCCl)CCCl)cc1)c1c(C)nn(-c2ccccc2)c1O	108423188	PADKREWGNSBWCE-UHFFFAOYSA-N	576.528	6.550	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2C)C1c1ccc(N(CCCl)CCCl)cc1C	150370209	GCGRUNSNYSZBFK-UHFFFAOYSA-N	804.606	9.871	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCc1cccc2ccccc12	150427488	JVZBVWDHGNZTJO-UHBFCERESA-N	629.292	6.487	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795339	NNVGFXOHGHSGEY-AOOOYVTPSA-N	730.100	9.380	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)ccc1OCc1ccccc1	408537127	CEOXDSLMTIUBMG-WBIBEUCMSA-N	612.151	8.093	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408537974	ITOZTUUFNQFKLF-MIXAMLLLSA-N	562.666	7.414	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408549862	ALEQTCAJEQBQAA-WOJGMQOQSA-N	644.332	6.990	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408552815	VQVOQLLCWSVIHN-FMCGGJTJSA-N	553.283	8.951	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)CC2=O)cc1	408601539	BHYXQWVCFPAIAT-LJQANCHMSA-N	528.436	5.640	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408649660	YVCHRDDYYJIGRZ-RKVVPOMGSA-N	665.593	6.197	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1	408710791	KRLKKGZCMCVSFT-RPPGKUMJSA-N	538.744	5.435	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	408718565	ZGHWQCQGIIIMCQ-UCXQNJRISA-N	568.427	6.084	50	40	KKGB	
COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)cc1	408724509	LHKZATQIVCBQID-RUMWWMSVSA-N	500.558	5.757	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1I	408746231	CSCNTFMMVFNNPF-RMORIDSASA-N	515.134	5.631	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408754812	OHVMLOOKDBKXJI-PTNGSMBKSA-N	562.785	5.324	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1	408760961	BEUFHXJTUSAKKI-WJDWOHSUSA-N	500.769	6.210	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc2ccccc12	408761994	IVSRUYQZSLXSCG-KGENOOAVSA-N	503.385	7.280	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccccc1	408765730	XLHXCXZCAVIZKT-ODLFYWEKSA-N	603.254	6.577	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1ccc(F)cc1	408783177	LSDZBKBWTYQTRN-YSURURNPSA-N	509.173	5.228	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1Cl	408795320	LZQOGJXZCAGWTB-RQZCQDPDSA-N	536.242	7.824	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c(Br)cc1OCc1ccccc1C#N	408808447	PRAFSOYWPPVPCM-FPCAYFHNSA-N	508.416	5.510	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408829999	RIWWFYVGKYZRKG-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2ccc(Br)cc2)cc1	408831638	OOXZAIJSSPCVBW-XZKBKLFHSA-N	663.594	5.359	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1	408839646	VDDPXRQRGOUCTJ-BIZUNTBRSA-N	586.442	5.622	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408857125	MYDYSCKQBPNFAZ-FTCYSYDXSA-N	688.143	7.848	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)c3ccccc32)c1	408861825	DNPVHGOMANUSIP-DPDWBHSJSA-N	549.096	5.263	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1	408869214	RHOUTFYCKLERJT-ZMOGYAJESA-N	543.019	6.321	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Cl	408875591	KLQSYEMHPQOIRD-LPEPFOFCSA-N	654.359	6.373	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1cccc(F)c1	408891030	KDJTVTPYKCDJEH-VCHYOVAHSA-N	513.338	6.251	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccc(F)cc1	408926623	YWIWMDKCCPRZDJ-UVHMKAGCSA-N	550.222	6.092	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)OCc1ccccc1	408985849	BFZKYUXAEMAVOX-NAMNZIITSA-N	626.511	5.892	50	40	KKGB	
CCCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	409014665	NQIFWDOYZXEJNR-HBSVRTSBSA-N	508.446	5.231	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc(Cl)ccc1Cl	409025875	ZEHUEYUKHTUDCL-UVHMKAGCSA-N	540.856	5.142	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1	409064360	DDSKNKHQQSRAKN-XNTDXEJSSA-N	626.710	6.187	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1	409068685	UTSNNCODJFTSFU-QGOAFFKASA-N	512.971	5.061	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)OCO3	409094911	GHACMVWXJIBGRH-QFIPXVFZSA-N	729.106	6.184	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	409131697	KCXXBNURRQAEAY-ZCTHSVRISA-N	655.514	5.224	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)c3ccccc3Cl)C(C)C)o2)c(Br)c1	409151005	FVDGOJZKQIWEFC-QCQFVGOUSA-N	516.823	5.576	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3Cl)c(OCC)c2)cc1	409155564	QGSFDXGJKMBWPV-VTNSRFBWSA-N	692.938	5.629	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Br)cc1	409162142	RWSYNFHTZUTJOZ-KKMKTNMSSA-N	623.241	5.063	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1	409223099	GSCVBMALWOFLAZ-DXJNIWACSA-N	536.544	5.068	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1cccc(F)c1	409238065	BWBZLEUUJDARPU-UCQKPKSFSA-N	537.429	6.222	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OCC	409303471	NBJRSCDWHZLOIC-MBTHVWNTSA-N	572.412	5.506	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409314669	SVPIMJYEMBYIPA-MWLSYYOVSA-N	581.474	5.721	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccccc1Cl	409316373	MNAKPDKCDVTGPH-MUXKCCDJSA-N	594.833	5.703	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OCC	409320188	CFPGIVNMFSROKP-UHBFCERESA-N	573.871	6.418	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)ccc1OCc1ccccc1	409320280	CNFNLABZVLVTBT-KYHGBAKBSA-N	535.427	6.924	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)cc1OC	409323922	QEXMWCOVZTZUAF-MBTHVWNTSA-N	638.334	5.625	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(Br)c2)cc1OCC	409324455	SQSDMDJJHGVYJB-FMCGGJTJSA-N	514.214	5.172	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc([N+](=O)[O-])cc1	409367774	GDULBBNDQZWQNZ-ZRGSRPPYSA-N	600.278	5.005	50	40	KKGB	
COc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	409369854	GHSGFQRRMJGDDJ-FZKWRIDDSA-N	591.693	6.652	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409372241	YJVBDVNGAMOPMS-AEVGBRMKSA-N	658.155	7.835	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCC	409373119	MAFSJNBTMMAHRJ-AFUMVMLFSA-N	518.351	5.014	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409394913	HJNSCUVOFCDGKJ-UHFFFAOYSA-N	695.751	7.725	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)cc1	409395128	KDORNJIXTFWJIK-UHFFFAOYSA-N	599.428	6.731	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccccc3Cl)o2)cc1	409401821	IFIQIQOSQHUBQW-QMRORBIVSA-N	633.488	7.824	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)Nc1ccccc1F	409404214	PKCNUKZZLDOWNR-XFDYYPNTSA-N	650.707	6.924	50	40	KKGB	
CC[C@@H](C)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409405374	TUUJZXLLJILVPG-HTJDUNFUSA-N	578.713	7.615	50	40	KKGB	
COC(=O)[C@H](C)Oc1cc(N(C)C)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409406567	XCPQHIANBDMOGH-NXFITDAQSA-N	558.635	5.036	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409408094	IMZPKVRKOOCRQX-CBOOBUQCSA-N	634.645	6.566	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	1529548708	MJQWFQNAIRWARX-CKMXFPERSA-N	879.342	6.667	50	40	KKGB	
Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O	1790645	XFMXCNCQBIPHDA-YDYXIROLSA-N	508.430	6.367	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1	1792051	CTYRBNWJHHIHNW-RWPZCVJISA-N	544.731	6.029	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccccc1F	1816027	HOUNMJBLMMYCJS-VULFUBBASA-N	510.392	5.078	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1O	2670144	GPRUMVHIUNLAEF-LICLKQGHSA-N	511.397	5.914	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Br)cc1	3088628	UTIRACMCSZWCEC-XODNFHPESA-N	565.251	5.822	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)cc1	4780052	XTESZFNFSCBKGR-XICOUIIWSA-N	553.622	7.128	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1	9008922	JGQKCAUTJYQALG-MBTHVWNTSA-N	514.413	6.013	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccccc2Cl)N1	12250721	FSFZVCWMKMAMBU-AREMUKBSSA-N	515.038	6.047	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	12250853	HKTMJDUNDYPBTA-SANMLTNESA-N	516.573	5.671	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl	15982162	KEPTXQDSSKLOCH-SFQUDFHCSA-N	502.398	5.375	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(F)cc1	33533735	JPPAUTCBHUZKNC-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	58852873	IUUCHYZVYAJXPS-RDRPBHBLSA-N	521.042	5.093	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)cc1	60028459	RJYAFZKHZVDUMQ-GPVZYABLSA-N	550.590	5.032	50	40	KKGB	
COCc1cc(C)nc(SCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)c1C#N	97965516	WRINZOARKZYLTP-FDALDRLYSA-N	585.733	7.084	50	40	KKGB	
CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)s1	97965807	AFKOHVLABJBELP-SFQUDFHCSA-N	552.483	7.343	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br	98001672	HXTZJWADQYMSGX-ORBVJSQLSA-N	679.974	7.029	50	40	KKGB	
N#CC1=C(N)OC2=C([C@H]1c1cccc(Br)c1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12	100032441	LQTFTWONKJXSCO-QFIPXVFZSA-N	538.398	5.115	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1C	100124106	WMAPCKICGPMPQM-DPNNOFEESA-N	568.621	5.767	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292961	ZFAXALRBIIYXEZ-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	100336527	FJUAGFXRTQDRKN-WQRHYEAKSA-N	544.776	6.078	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100989373	KEBDJMOKMMCQAI-YMGIJWJESA-N	536.426	5.962	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@H]1c1ccco1	101305234	PQOVRSSRFAOZSL-QHCPKHFHSA-N	553.562	6.067	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1Cl	103844471	KFZRZHBDUBNGNX-NHDPSOOVSA-N	568.888	7.372	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	104402936	ZSJQIVPHMHSDCQ-MZJWZYIUSA-N	562.258	5.962	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Br)cc1	105159870	YTKOSDIVTYYXGZ-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1F	105475596	YSNOMVAIAHJPGK-KKMKTNMSSA-N	560.470	6.028	50	40	KKGB	
CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341743	YOEAUKFZNNYMRM-INIZCTEOSA-N	820.397	12.916	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	162476448	DBUMWGMOZPQZMN-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(I)cc3)c3ccccc23)cc1	216067406	GDROLOJUEKOGKH-STBIYBPSSA-N	551.428	6.155	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	408537943	IJMYLSMBXSQQSO-IMRQLAEWSA-N	553.058	7.751	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	408539702	JMALHNNWNOKCTE-PQKVGRGHSA-N	637.132	7.858	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1	408539870	ZRIBFOGFRUEZJQ-KOEQRZSOSA-N	599.481	7.257	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408540998	XCVRKHVVHIXCAH-KYHGBAKBSA-N	535.427	6.924	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408541314	FWNKVLSBQUCOOJ-NVMNQCDNSA-N	552.337	5.189	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1	408544632	WBGIFEMFPQNWQZ-VXLYETTFSA-N	569.830	7.090	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408544884	YFXMPYAKCHRFOR-JAIQZWGSSA-N	523.339	6.097	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCC(=O)Nc1ccccc1	408569548	ONJFCMRZOLHTAQ-WKULSOCRSA-N	663.559	5.325	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OS(=O)(=O)c1ccccc1	408579260	FOFMKMSDISGSPG-MHWRWJLKSA-N	600.261	6.829	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1	408581489	INNAQVLWALWSBZ-YBFXNURJSA-N	556.254	6.610	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)Sc1nc2ccccc2[nH]1	408599082	ONDKMTVNYQUJLJ-FRKPEAEDSA-N	704.158	8.315	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	408608134	VCLBIVXABZIRLR-DJKKODMXSA-N	535.431	6.967	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)c1	408642178	DSCFIGAFIAZRIW-NCPQUSJXSA-N	744.820	5.586	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c(Cl)c1	408741695	ROZSUOXKTBXRMV-BVMLUPFRSA-N	615.753	7.615	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c1	408747058	YRBXKHZWLNWVOT-ZDLGFXPLSA-N	684.699	7.073	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408759629	IGVSKJGKXUIVDR-MFOYZWKCSA-N	587.224	6.253	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1cccc(C)c1	408789125	ODAFHRAHBNIMAJ-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408789608	QFGXOTOZFZFLFJ-LICLKQGHSA-N	523.299	5.390	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408795424	MHFJZMKICQPBHP-BUVRLJJBSA-N	542.994	7.191	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408796979	QOYGAFVFPBJSEO-VIZOYTHASA-N	693.081	7.466	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccccc1C#N	408811314	BHUYSACBGUQATG-YUMHPJSZSA-N	507.590	5.496	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2)c1Cl	408811935	NBZHAUNDXACEIK-SDNWHVSQSA-N	563.235	7.123	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408815026	SXKKGNAGPVFOSV-QFEZKATASA-N	527.418	6.413	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc(F)c1	408815818	SGYXBWRQBMPRIZ-NDENLUEZSA-N	509.350	6.580	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1Cl	408818407	PPOBPVZMNHCHBM-ACCUITESSA-N	549.208	6.815	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408825085	JDZMYZVKTXMXFF-OVVQPSECSA-N	682.412	9.377	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408838573	GFQKEBRQLPCNCJ-WKULSOCRSA-N	565.493	6.796	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)NCc3cccnc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408841161	JHIHACXLOGFIHB-QRVIBDJDSA-N	595.508	5.904	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1cccc(C)c1	408855174	CZGLWVJJWGGVHR-UDWIEESQSA-N	509.375	6.420	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1F	408856241	JKJLUMGXHSOLPQ-IPHFVPNQSA-N	533.603	6.943	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408860077	XZYSYMAGPBUNEZ-WBIBEUCMSA-N	680.373	8.707	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2ccc(C(C)C)cc2)cc1	408860352	ZJMSCKAFMZZUHA-UZWMFBFFSA-N	542.705	5.872	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12	408866534	HBHUBFRXFNSALP-VWVOUQHWSA-N	529.640	5.166	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1OC	408871126	WAKCUZNIAMJBBT-STBIYBPSSA-N	618.575	5.398	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1Cc1cccc(F)c1	408873215	ORRALKSRJSUNMO-KEBDBYFISA-N	540.376	6.192	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408884143	XVDYHZHGFHHSGJ-UDWIEESQSA-N	555.450	5.696	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(Cl)nn1-c1ccccc1	408895073	SYFMRGKOQGKLBL-VFHZOOBCSA-N	530.053	5.372	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(F)c1	408897661	ZGUMCKYNQYKMCD-GIJQJNRQSA-N	518.894	7.021	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OCc1cccc2ccccc12	408898555	WVTVXAJABUTFHW-WCMJOSRZSA-N	562.116	7.323	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccccc1F	408904300	HQEAIOMIFCICRV-QDTIIGTASA-N	579.264	6.792	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCc1cccc2ccccc12	408954725	ZOIHARHRWBCZEX-YTTGMZPUSA-N	643.165	5.957	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccc(Cl)cc1Cl	408965875	JNWLJARATIVTEE-PNQUVVCRSA-N	565.226	6.508	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1cccc2ccccc12	408993731	XGUUJIOCNWLCGJ-AIEXUKEJSA-N	591.668	5.528	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(Br)c1)c1ccc(Br)cc1	408999247	UEPKSSGQYIWVCM-ZMOGYAJESA-N	501.178	5.228	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl	409001738	JXYYOWHHJXZWOY-ZMGVVAQMSA-N	648.410	6.505	50	40	KKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409010049	JHZJGBLGUUJBES-IVWJEFBKSA-N	605.654	6.403	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409023973	GGEACDUQLXTKFU-PJZBTWFMSA-N	507.656	5.493	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	409045528	YYSSNYZNFGAMFD-DEDYPNTBSA-N	519.985	5.619	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409048675	UIKWSVYCNQHOBA-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409050251	SWIHVRCOUSNTHT-STBIYBPSSA-N	563.395	5.844	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4c(OCc5cccc6ccccc56)ccc5ccccc45)cc3)cs2)cc1	409050408	VKDUZOYIRNTMSK-ZXTCRCEHSA-N	618.762	9.511	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(Br)cc1OCc1ccccc1F	409077316	DXIAHPPDMDXXER-BJUCDSOZSA-N	588.433	5.794	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)C2=C1CC(C)(C)CC2=O	409134668	STLNVAQDLIPALH-AREMUKBSSA-N	584.486	5.558	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(Br)c(C)c3)c(OC)c2)cc1	409153832	NMZRHLDXYXWNEI-IBBHUPRXSA-N	674.346	5.200	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C	409167188	HNTGLZKOFGXDDW-ROPCREHHSA-N	629.939	5.327	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1	409170353	UYGUKKUKLMNVLM-VVEOGCPPSA-N	697.299	5.006	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)cc2c1	409188034	WMJKUDAYFQNGNF-MUXKCCDJSA-N	568.380	5.854	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1cccc(C(=O)O)c1	409192174	VEZRTAWONUJONG-ODLFYWEKSA-N	513.388	5.091	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Cl)cc1	409196503	ZVHFBRSOCWZNMG-OPEKNORGSA-N	523.170	6.007	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1OCC	409217389	CGISAJZCTYAGRK-GPIVBHGDSA-N	612.082	6.772	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c2)c1	409220145	UTSZFLMGAYLAEU-UHFFFAOYSA-N	572.415	5.693	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1ccc(OC)cc1	409226800	VQLQYNCCGJMATM-UHFFFAOYSA-N	627.650	5.355	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cc1	409226879	WIOWBJIAUKTLBV-UHFFFAOYSA-N	679.321	6.484	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc(Br)cc1	409251054	ZSZDXWWQGGNEOO-KBKYJPHKSA-N	549.878	5.339	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409254169	CZIQINZFKLCBID-FRKGHFGRSA-N	733.088	8.767	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C	409257441	ORSBWHNFOXJMKJ-ODLFYWEKSA-N	549.381	5.537	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)CC2=O)cc1	409264531	LWHYRUSIJUXHAZ-CGFDVFMDSA-N	556.446	5.483	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409266767	KZVOBECIYSROKD-UDWIEESQSA-N	519.985	5.624	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OC	409314057	DYJRCXOQCMYNMN-FDVSRXAVSA-N	545.405	5.737	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1OCC	409332217	GIECDMPNAXVYOS-MIXAMLLLSA-N	559.040	5.234	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409381934	PHKBLQKMUNIDCS-BOPFTXTBSA-N	528.367	6.094	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc2ccccc2c1	409385357	JSZJLWROCOZVCN-MUFRIFMGSA-N	511.559	6.314	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409386360	PSZXILCGYQZHOE-XODNFHPESA-N	552.996	5.561	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)c1	409394413	ADIOWKOUFXBNCP-UHFFFAOYSA-N	628.479	6.606	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396501	UGDXCTCGTGLLIM-UHFFFAOYSA-N	669.134	6.870	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C(F)(F)F)cccc4c3-c3ccccc3)cc2OCC)cc1OCC	409396504	ULCHYKHPHCNACP-UHFFFAOYSA-N	659.661	8.033	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397505	KODFTCKCTITKBW-UHFFFAOYSA-N	545.639	7.088	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397546	LCIWLYVBYNMXSE-UHFFFAOYSA-N	629.454	6.821	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(Oc4ccc([N+](=O)[O-])cn4)ccc4ccccc34)o2)cc1	409401625	HTUUQADAZYADML-QJOVZPHJSA-N	601.619	7.279	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc(C)c2)c(OC)c1	1529545680	AMNBHNYMGODAGT-YMEQDBNJSA-N	728.609	5.072	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	1529546846	HWECVCGCXCXWJG-MKEMXLLOSA-N	734.442	5.815	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1	2207886	IAFXDIYWFBBNCK-IDJUBOEBSA-N	502.039	6.330	50	40	KKGB	
CC(/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)=C\c1ccccc1	2222959	QDTWKBDACSDOAS-NZAXMBIUSA-N	528.703	5.932	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(Cl)cc3Cl)n2-c2ccc(Cl)cc2)cc1	6156927	RCLZNIPBLZQCGX-WKULSOCRSA-N	560.894	6.536	50	40	KKGB	
Cc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	8670557	BMPGAVJJJFFABI-ZWXJPIIXSA-N	507.634	5.435	50	40	KKGB	
CCCCCCc1ccc(OCCOc2ccc(Cl)cc2/C=N/NC(=O)c2cccc(Cl)c2)cc1	9425572	BNORDPICTZJLFO-AJBULDERSA-N	513.465	7.338	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	20059562	GYGHUFKWJSHKGD-JFLMPSFJSA-N	504.439	5.462	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)Nc1ccccc1	28214778	PXHPQPPQHXCCPH-ZCTHSVRISA-N	509.631	5.901	50	40	KKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCCN4CCOCC4)c(OC)c3)c3ccccc3n2)cc1	97965584	AEAAEFBOPVXNDJ-SJPFGVDISA-N	566.702	5.899	50	40	KKGB	
S=C(Nc1nnc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)s1)Nc1ccc(Cl)cc1Cl	100019313	KBDJPLYFZFRYTB-NOENWEJRSA-N	601.448	6.782	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccccc1Cl	100120116	UQVMWBBUESJQEE-FADJLKOXSA-N	539.123	6.966	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1	100835252	ABFFFRVBNOEEKX-OGCOBRASSA-N	532.021	5.582	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)cc1	100853372	IDXANSYNANYWHA-RHANQZHGSA-N	540.476	6.272	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	100855002	VMESBFNWPIVGLM-UZWMFBFFSA-N	541.721	6.571	50	40	KKGB	
CCOc1ccc(-c2cc3c(c([P+](c4ccccc4)(c4ccccc4)c4ccccc4)c2O)[n+]([O-])c2ccccc2[n+]3[O-])cc1	101239276	FYMVDCNLKSQMND-UHFFFAOYSA-O	609.642	5.651	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1	102808186	ZDVFTORLJVMTBM-VWLOTQADSA-N	537.563	6.558	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2[N+](=O)[O-])cc1	102990013	GJFAXXYXCVXNFU-NBVRZTHBSA-N	523.561	7.545	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1cc2ccccc2cc1O	103754276	UJSMVRCMBOLVTQ-KPGMTVGESA-N	590.642	6.464	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	105475475	QFWCMUDMLXUINV-IPBVOBEMSA-N	572.670	6.526	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc(Br)c1OCc1ccc(Cl)cc1	105793411	LOKISTHTVYQBAA-XAZZYMPDSA-N	578.850	5.954	50	40	KKGB	
O=C1OC2(c3cc(N=C=S)ccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I	150338896	KGIPESQZUJURRP-UHFFFAOYSA-N	892.972	6.819	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CN(c4cccc([N+](=O)[O-])c4)S(=O)(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	150364787	SKHFGGLUJKSTAS-PNEKLSRFSA-N	679.755	5.944	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	150386688	WKFHUCAOETYSTI-BVMLUPFRSA-N	644.493	5.283	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cc(C)cc(C)c2)cc1OC	150474556	VZRUAAOVPNXOAS-DPNNOFEESA-N	653.599	5.836	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795377	NZGDWAYFVNOPCY-RYUDHWBXSA-N	958.182	12.702	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)OC)cc3)cc2OCC)ccc1OCc1ccccc1	408538467	NHDRDHVTYDQOPM-QRQIAZFYSA-N	685.571	7.737	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408570786	YNNIVYFLDPSKHJ-DHDCSXOGSA-N	509.310	5.685	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1cccs1	408640996	BXTOMMTWBFKILB-QHQVIKIASA-N	635.161	5.073	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)c1	408642562	FAVYOGAXQFVUNF-SDJAXVEPSA-N	779.265	6.239	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2cccs2)cc1	408643610	GGZVVUBCXPMHAS-LIPVWZTLSA-N	755.268	6.292	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408643616	GHLFSYFSJVKGNA-IMJYCFMASA-N	568.284	5.916	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c1	408744831	NJXJUZCEMDPFMX-XKZIYDEJSA-N	576.288	7.798	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1ccc(Br)cc1	408745749	ADHIOEBXEJMVNG-APSNUPSMSA-N	729.106	6.512	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)NCc1ccccc1	408747634	QRJJHCMTBDELNO-GRSHGNNSSA-N	563.222	6.400	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1	408758613	NUEGCJVQQXZUNC-VCHYOVAHSA-N	542.227	6.345	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(I)c1OCc1cccc2ccccc12	408764215	SKMVYGPKDWHJAS-HYARGMPZSA-N	568.411	5.188	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408775352	GCCWWZWRNLZGRY-STZFKDTASA-N	571.302	6.591	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408787826	GUKWECAKAFTRIA-RGVLZGJSSA-N	536.382	6.107	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408790054	MVIQQDHWJGYRIA-SRZZPIQSSA-N	507.804	7.925	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408791135	UOWSYPSIGCDLKR-VCHYOVAHSA-N	605.124	7.407	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)cc1	408794425	SFPPJMQCERWTQZ-RGVLZGJSSA-N	634.255	6.637	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1c(C)ccc2ccccc12	408801277	UPVAMBCXUBNPFU-ZVHZXABRSA-N	511.021	7.552	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc2ccccc2c1	408817639	WSGSCWIWZOYYFO-XKZIYDEJSA-N	578.381	6.717	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408827970	VMDNRLMBHXCJMK-AFUMVMLFSA-N	621.948	9.058	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408828771	JFYCWMBMBYRJBK-VVEOGCPPSA-N	643.387	5.877	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408829269	NLPLVZUXKBJGIA-ZVHZXABRSA-N	662.924	8.113	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408829492	LDAOYRLTVQTSPJ-FDALDRLYSA-N	643.087	6.655	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cccc(C)c2)cc1	408833289	SXQPGLIHPZUFTJ-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1cccc(C)c1	408836774	VJRNCRJMZNSZBR-MTDXEUNCSA-N	518.613	7.016	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(F)cc1	408839439	SFRAQGFIYXGMFO-MWBNBJEGSA-N	601.103	8.088	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(Br)cc1	408841714	JYAZLAZZYPTJMV-IIHBXENTSA-N	698.359	7.711	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)cc2)c1	408845237	PRPKNPXLLVZVER-VTNSRFBWSA-N	590.861	6.646	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc(C)c1	408846460	JSXZNSULRJGBHY-QDTIIGTASA-N	527.802	6.509	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc(Br)c1OCc1ccccc1	408862029	HPEAUXACFDDBPB-KCSSXMTESA-N	575.528	7.234	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	408862883	JCOCPTULMSLGOJ-JFLMPSFJSA-N	504.439	5.462	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2OC)cc1	408885455	AFSYBWIDURNXRC-WOJGMQOQSA-N	521.913	5.339	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cc(C)cc(C)c3)c(OCC)c2)cc1	408892419	ZHGNZJUTFBKSGG-ZVHZXABRSA-N	624.475	6.608	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1C	408899432	PDXQPHRNWNRCHR-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCC(=O)Nc1ccccc1	408904390	ITBNWUJZIUEKRS-MUXKCCDJSA-N	536.928	5.175	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(Br)c1OCc1ccc(Cl)cc1Cl	408924610	PLXRAYFTERJBMR-CLAOXVRQSA-N	750.430	6.072	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408947941	DVJFONNAFHZGBN-XYGWBWBKSA-N	550.456	6.928	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccccc1F	408948825	HBCLKUVHYGHBIR-XKZIYDEJSA-N	562.439	6.313	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1	408949663	RKAUXEWHGJRLPV-YTTGMZPUSA-N	717.642	6.075	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1	408951450	UBHWPLCVZUTBPX-LJAQVGFWSA-N	671.603	5.856	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)c(OC)c1	408957221	SUHVNRLPAOYBEQ-FWUIRIOGSA-N	760.436	5.528	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1	408967289	UMCHXSZKWYYXGK-KVSWJAHQSA-N	507.333	6.415	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OC(C)C	408971143	MWSWXUJIHLDXHO-RPNBHJQGSA-N	586.516	5.824	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408971345	IPOAHRNZQZUWBY-BEOKAFRCSA-N	573.315	5.603	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(I)cc(I)c1OCc1ccccc1C#N	408972647	UDMDJUSOLRTUBI-IHJBDFEVSA-N	833.292	7.102	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1cccc(F)c1	408979645	NOWMAQXGRONJAA-MCJRRVPSSA-N	539.607	5.815	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4ccc(Cl)cc4)cc3[N+](=O)[O-])sc2c1	408987160	AOUZLYOYOAGEQE-LFIBNONCSA-N	537.022	6.953	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccc(Cl)cc5)cc4s3)c([N+](=O)[O-])c2)cc1Cl	408993591	WJIZOGADMJFGGQ-UDWIEESQSA-N	660.564	8.769	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1	409011480	NMJMIAKXSLNJED-XODNFHPESA-N	632.252	5.890	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1OCC(=O)Nc1ccc(C)cc1	409015438	SAQHNBKYNCJABU-XODNFHPESA-N	605.283	5.075	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1cccc2ccccc12	409018127	RQAQEVSXLHUJAP-HQDYHJHZSA-N	540.019	6.548	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409049879	YKTSLANCTUPOJO-LPYMAVHISA-N	518.013	6.227	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	409064560	DEPFHQCEDFEKAE-UVHMKAGCSA-N	585.307	5.106	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1cccc(Cl)c1	409101798	YUIAWCLNXMBPFD-DEOSSOPVSA-N	602.812	5.869	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3C#N)c(I)c2)C2=C1CC(C)(C)CC2=O	409127608	OGXLKCIVADXWDD-SANMLTNESA-N	608.480	5.125	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409181818	FSGBIDLEBRHDLG-VFLNYLIXSA-N	550.280	6.653	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)Nc1cccc(Br)c1	409187958	VZIKIJQFLTVYSG-ROTLSHHCSA-N	582.090	6.709	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br	409202766	SAKGOXCGRZSICW-LSHDLFTRSA-N	516.642	5.119	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409220251	VMHKWXNMEPLBJJ-PXTNGKCWSA-N	592.866	7.282	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1cccc(C)c1	409222944	FMIBQYFKKNOJHF-UHFFFAOYSA-N	541.991	5.892	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409226558	UTNCPRLZEYZDLT-LFABJMPPSA-N	647.323	6.847	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409254757	FLJVWIWKAYKVTQ-HQDYHJHZSA-N	612.111	6.997	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)c1	409255508	LGTRBKAOJKMLGE-ZDLGFXPLSA-N	617.725	7.045	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(OCC)c2)cc1	409256032	JCEWZRDTUBLXGE-HYARGMPZSA-N	592.490	6.427	50	40	KKGB	
Cc1c(/C=N/NC(=O)Cc2cccc3ccccc23)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409266899	LPLLIOFKBXMTRC-VTNSRFBWSA-N	500.429	7.151	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1	409269470	JRYPLJQYJXACHD-FYJGNVAPSA-N	534.012	5.927	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1	409270656	GSTDBMNCOSMVST-FYJGNVAPSA-N	578.463	6.036	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409270668	GYTXXZUWFBSTCV-BKUYFWCQSA-N	595.437	5.870	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC)cc1OCC	409306372	ZQISURAOUPAHDD-CFRMEGHHSA-N	526.225	5.338	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OC	409310543	VRVJYEALGWPXCO-FDVSRXAVSA-N	606.311	6.361	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OCC	409311249	DZQSZMGHJSBHQB-LJUMEUDFSA-N	554.043	5.626	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)ccc1OC	409313248	NQWABAXMOVOFCA-MWLSYYOVSA-N	541.442	5.906	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1Cl	409364083	NAKDYAXQADOOCT-MUXKCCDJSA-N	501.366	5.045	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1cccc2ccccc12	409372140	SHCYCWKYTZMLBC-HMAPJEAMSA-N	549.383	7.625	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409398603	UULUQNCJRPTPFC-UHFFFAOYSA-N	612.038	6.607	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cn4)c(I)c3)o2)cc1	409399932	AILCCBXKICZZCI-PMNVOCJDSA-N	803.351	7.335	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Br)cc1	409405109	SDPIXJFHHXCBEH-VHFSBPNMSA-N	691.420	8.442	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(Cl)cc3)o2)cc1	409406212	WGZYQQHWNQDLCK-QMRORBIVSA-N	633.488	7.824	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Sc4ccccc4)o3)o2)cc1	409407786	HSPYDXPEAAXRBR-YKQZZPSBSA-N	511.603	6.774	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	1529547913	RMKZPDUBDJWQNF-GQZAJMAYSA-N	687.616	6.066	50	40	KKGB	
Cc1ccccc1[C@H](N[S@](=O)C(C)(C)C)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C	1857795164	QJYMSQMBMNSAOT-PSLXYLBZSA-N	617.795	8.326	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1Br	1875943	RUSYTYQPZQPCBL-CCVNUDIWSA-N	570.900	5.910	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(C)cc1	4196414	MYGLZFAOSMQEMZ-GIJQJNRQSA-N	503.223	7.716	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(Cl)cc1Cl	5948592	LDZYJXNMYPCWFB-OCSSWDANSA-N	508.405	6.526	50	40	KKGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@@H]1c1cccc(Br)c1	8451213	VTALUONFAIWYIE-QHCPKHFHSA-N	565.493	5.402	50	40	KKGB	
N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1	8456145	QTMJIXXEAHGFOY-CJAUYULYSA-N	515.386	5.682	50	40	KKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2cc(Br)ccc2OC)c(C(C)(C)CC)c1	12563937	AUEZTUCCFOODQF-NDZAJKAJSA-N	531.535	7.142	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1	16161351	UPOAUOLLNKNMPO-LQKURTRISA-N	502.665	5.131	50	40	KKGB	
N#C[C@@H](C(=N\NC(=O)c1ccncc1)/C(O)=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1	82190206	WKLIHDFQVOWFGO-YMZTYVNRSA-N	635.416	5.465	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)c2C)c1	100122916	XTHBXTJILDHCPW-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccccc1O	100178434	MHSWQXSMGWFFIT-RAAYPUKUSA-N	547.998	5.012	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	100947293	KYFOMOMDANKICW-DHRITJCHSA-N	582.270	5.060	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1C#N	101753661	MVMTWFRDOLZLGY-CPDSRJINSA-N	552.812	6.462	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	102808070	LGYBORHBDKLJCX-HHHXNRCGSA-N	563.510	7.008	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1	103887331	PRYBLOPICBXZTJ-LSCVHKIXSA-N	570.237	6.373	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)cc1C	104114866	ZOLYLRGNKBHDBZ-WJOKGBTCSA-N	549.696	7.524	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(=O)c5ccccc5)CC[C@H]4[C@@H]3C[C@@H](Br)[C@@]2(O)C1	118914097	TZBBEXALLZOART-YXDUJCKGSA-N	533.503	5.675	50	40	KKGB	
Cc1c(-c2ccc(OCc3ccccc3)cc2)nc2ccccc2c1C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1	138776003	BKYHTHIPPKHBNS-UHFFFAOYSA-N	624.491	6.170	50	40	KKGB	
CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341619	INFFEVOEGDSPKZ-CYBMUJFWSA-N	828.323	12.381	50	40	KKGB	
CC(C)(C)OC(=O)[C@@H](CSSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21	164063357	IQCNHOFZFYLKLF-MAZIBIHTSA-N	797.008	8.866	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12	408535204	XXFVXJGIUWLTGF-VTNSRFBWSA-N	593.465	6.293	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)ccc1OCc1ccccc1	408539928	KPGNSXFNCYMBTL-BJUCDSOZSA-N	614.323	7.686	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1OCc1ccc(F)cc1	408544135	SEKAUVJBWGPPFB-UCQKPKSFSA-N	500.526	5.776	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccccc1C#N	408544969	WKSTWQPCGLLTIL-UKWGHVSLSA-N	532.350	5.152	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c(C(=O)OCC)c1C	408547190	UKKTXWJWJQDSGK-PDGQHHTCSA-N	599.086	6.842	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(F)cc1	408555871	ZEERXEQPUOWPNZ-OQLLNIDSSA-N	518.759	6.349	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(Cl)c1	408598905	KVXMRFZMRCTWMD-IUXPMGMMSA-N	538.066	8.162	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	408646201	TXAXCBIDVLEVEA-CGXNFDGLSA-N	610.730	5.119	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408744260	DRIAPZTVLLHCBQ-PXNMLYILSA-N	613.666	7.385	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747676	RLXDRQITMSUDBX-NVMNQCDNSA-N	616.107	6.970	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(OC)c1	408749607	RDUHZYXTNINNGR-LGJNPRDNSA-N	595.231	5.414	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12	408760396	YADVPQHEXJDGFJ-JEPNHJGPSA-N	525.564	6.290	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)cc(C(C)(C)C)c1O	408760574	AZXUAZPIRTWIGP-BKATUZMVSA-N	600.759	8.596	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1cccc(I)c1	408761236	DEEZUICSLSAZMF-GZTJUZNOSA-N	557.775	5.508	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408762195	ABMQFUXOMGWPMY-PXNMLYILSA-N	703.087	6.922	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408777682	FXCXXFNCRPOAIU-MTJSOVHGSA-N	580.866	5.666	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)c2C)cc1	408783463	LOMZMFGSEVKQGO-RPPGKUMJSA-N	563.246	5.265	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789741	KSGVWGMMCNWKJG-XIEYBQDHSA-N	586.429	6.995	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1	408792532	AROMNBQAZIWIEA-FYJGNVAPSA-N	522.960	6.179	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798127	UPXVFISJIZQAMZ-VIZOYTHASA-N	618.085	8.029	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408823124	CSUHCYMTUGAHIZ-AFUMVMLFSA-N	584.028	7.269	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2cccc(C)c2)cc1	408824960	CJRJNXFYRVSNFC-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408825025	CLNNFHIYSPFCNB-KEIPNQJHSA-N	609.535	6.290	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)c(OC)cc1Cl	408833441	KGFXGKWLGBKDFG-VXLYETTFSA-N	541.829	6.553	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840293	AJDPQVYWOYJBKX-PTEHHBOZSA-N	761.842	9.056	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C(=O)O)cc1	408849958	BRFVOKHRYAHMPO-MUXKCCDJSA-N	537.366	5.635	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408858756	PHIGIKVNYQXHFD-KVAAJVFYSA-N	691.431	7.074	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1Cl	408858800	SOXCJEDLLBRJEI-VCHYOVAHSA-N	579.800	7.645	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2cc(Cl)ccc2C)cc1	408862148	FSPSLVRXZXODCM-VTNSRFBWSA-N	627.992	6.472	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c(OC)c1	408865734	DTPAAHFCELVOIB-DJKKODMXSA-N	620.725	6.685	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(SC)cc3)cc2)cc1	408869784	QWJIFVLRHSVBTR-FMFFXOCNSA-N	632.764	5.089	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408869826	UFAPERPQPWGIHN-ZHDAQUIUSA-N	655.796	5.747	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2ccc(C)c(C)c2)cc1	408873963	XTMSFHZPDPBEBS-FDAWAROLSA-N	511.647	5.209	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3F)c(OCC)c2)cc1	408875818	LHLHIHVHQFKHNQ-FYJGNVAPSA-N	506.961	6.191	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)c2C)c1	408877213	SVXHSQNQURFOQV-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408878153	XDAFJULXHGUAMA-ODQASSKESA-N	739.903	7.959	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1	408878419	ANFSRIWMBRQZFW-RGVLZGJSSA-N	583.382	5.895	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408880824	IYGAWHLJJXJRKE-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OCc1ccc(C)cc1	408882845	REERQLTZMYDAGR-STBIYBPSSA-N	565.411	5.742	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)cc1	408883269	UPYRKENXDYSDNL-MHWRWJLKSA-N	512.305	5.675	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408884112	SQTFIKVFMAZLAP-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Br)c2)c1	408884896	YYWODSPDLQSQCC-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408885113	XTHGKFQRKFDKEZ-PONZDJLKSA-N	735.353	8.097	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1Br	408892313	YNPKYQWPRKGQLG-VCHYOVAHSA-N	671.251	7.596	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2Cl)cc1	408897811	ZRKNTMRFHUGQQX-LQKURTRISA-N	528.417	5.624	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Br)c(OC)c2)cc1	408900658	XHASFAFLMSLHAF-UDWIEESQSA-N	617.281	6.749	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)c2C)sc(C)c1C	408904270	HINVEWPNVHIUOD-ZRGSRPPYSA-N	531.476	6.176	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OC)c1	408923947	MEFBQZZRTZQLIN-MOEPSENCSA-N	641.508	5.301	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2F)c(OC)c1	408949123	DTERPRPGJGTBIC-VOSMKULASA-N	748.400	5.658	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c(OC)c1	408958435	YUPYXTDJJDBBMP-WHNQQBDFSA-N	691.568	6.454	50	40	KKGB	
O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408961978	WJWWSDVKQUXIKF-KVQDIILNSA-N	510.641	7.175	50	40	KKGB	
COc1cc(/C=N/NC(=O)NC2CCCCC2)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1	408970445	HZWHOWXHNDCJEY-AJBULDERSA-N	528.093	6.820	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408971349	IPOAHRNZQZUWBY-MFCRCHESSA-N	573.315	5.603	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc2c(c1)OCO2	408974858	HQZRJLWNUFLWPU-NSKAYECMSA-N	660.633	5.621	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccccc1Cl	409017677	SSUHSGSWRDSVTP-FQCJKFBTSA-N	689.080	8.193	50	40	KKGB	
Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)cc4)c4ccc(C)cc34)c2c1	409036151	LCBUXAZSGNRSIJ-GZOMZLSJSA-N	591.542	8.901	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1nc2ccccc2[nH]1	409041672	KMFPCFFFZVALIP-UDWIEESQSA-N	559.261	7.884	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(F)c1	409126447	OZFBQDOHFGSESW-HHHXNRCGSA-N	519.617	5.186	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccc(Br)cc2)cc1	409145269	NYBPELWGYRGSFC-ZCTHSVRISA-N	592.515	5.891	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409148067	XADXOOUALRCDDC-DEOSSOPVSA-N	544.454	6.094	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1	409163960	AILOGPUTSZXYHM-ATZGPIRCSA-N	609.521	5.064	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409170077	SMWGZYPUCZQLOT-PNQUVVCRSA-N	598.270	5.805	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	409185281	VRGZAWHUTOZQCU-ODQASSKESA-N	755.902	7.660	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)cc2c1	409186913	JLESORQCVIKHFA-CPDSRJINSA-N	539.947	5.414	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1ccc(Cl)cc1	409191690	KURRIEJHHCWBMB-KBKYJPHKSA-N	540.614	6.347	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccccc2Cl)cc1	409219526	NNGYVSCOFZAUJH-MNBJERMJSA-N	556.962	5.413	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC	409224221	KHJRLUTYRRUCHR-AMWZCKRWSA-N	703.502	6.018	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1	409254274	YQXBONBHCAPIHR-WQRHYEAKSA-N	599.279	6.092	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1OCC	409310694	WCZSYXNIBMKYKA-RHANQZHGSA-N	541.442	5.988	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1OCC	409316749	MYMJFKCJARBANI-APTWKGOFSA-N	591.502	7.141	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)ccc1OC	409318683	XQNGQBZGOFORAP-MXAYSNPKSA-N	514.878	5.120	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1OCC	409326795	OHKBAEZTVMYQCD-UHBFCERESA-N	622.887	6.484	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C)cc2)ccc1OCc1ccccc1	409327189	RATOYMGXWNHZTG-CAQPMQTCSA-N	515.009	6.579	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1Cl	409366862	ZORRUYLGLNPPFA-OCKHKDLRSA-N	512.787	6.873	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCC(=O)Nc1ccccc1	409371827	PQVSZNRXMFCEMZ-BOPFTXTBSA-N	528.321	5.521	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	409373860	VNBQRBDHUOGESU-AMVVHIIESA-N	612.274	6.415	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409380726	CAXSNFBZRWOFCD-MUXKCCDJSA-N	560.832	5.291	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccccc1F	409385487	KWQKDXMSPAILMB-XODNFHPESA-N	572.412	6.453	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccc(F)cc1	409387232	VCRFVIIYTCFDSW-XODNFHPESA-N	572.412	6.453	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1OCC	409394762	FNWGWGZLPGASAG-UHFFFAOYSA-N	644.497	7.517	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)[nH]c12	409395463	NWYNUPYAXHKEAQ-UHFFFAOYSA-N	576.834	7.135	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396311	KXROTRQZAPDERV-UHFFFAOYSA-N	561.638	6.842	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396822	BPEVSZJKVXDZOO-UHFFFAOYSA-N	538.003	6.870	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(F)cc4c3-c3ccccc3)cc2OC)cc1	409397371	JEQAKTYBTPNNKS-UHFFFAOYSA-N	537.547	5.974	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)[nH]c12	409399278	YUGXCBPFJQVGFD-UHFFFAOYSA-N	552.030	7.042	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(F)cc1	409400117	BLTOEZIMKDFCKS-KOKCXWAISA-N	707.540	7.751	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3cccc(F)c3)o2)cc1	409403401	MPJONZIIVYUZTM-AEUUOICLSA-N	625.613	6.095	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1cccc2ccccc12	1529548651	KWGHFGSCYJWOQR-OMWOMDGGSA-N	860.512	6.513	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)ccc1OCc1ccc(C(=O)OCC)cc1	1529548684	LQSLVNUGMCSXDL-HCWKVSNUSA-N	709.619	5.090	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1	1529548775	NRPSSPVOQRUGRD-YMEQDBNJSA-N	682.155	5.111	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	1845167	DSGPVGONIRQEOP-SANMLTNESA-N	560.075	6.117	50	40	KKGB	
COc1ccccc1/C=N/NC(=O)[C@H](C)Sc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1	2741619	AMEMUQGYKCFFSG-XSZJBBQGSA-N	535.073	5.481	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3c(C)c(C(=O)c4ccc(F)cc4)n4ccccc34)c3ccccc3n2)cc1	3250696	OJXAOQISKQCBSO-ZSNJKBEMSA-N	540.598	6.905	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC(F)F)cc1	3298600	LKCRDKVNDXBMOK-XMHGGMMESA-N	530.556	6.171	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OCC	8721617	ZVMKGIIANKJEQH-IOUPCVQUSA-N	517.651	5.412	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1cccs1	20348522	IPPOZPQANKDENW-NRFANRHFSA-N	519.570	5.564	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	28216896	JKYCRCZNXXCWOL-OKCVXOCRSA-N	508.474	7.457	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)ccc1OC(=O)c1ccccc1Cl	59211909	JETBIDCMMDZAFD-QDTIIGTASA-N	545.817	5.476	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	59485155	FXBFYXMXPNGTPU-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	59855976	DDJZKMJOLGJWQH-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1	97961135	YKXSSWRAWRCGDY-BHGWPJFGSA-N	578.160	5.053	50	40	KKGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	98007199	JCKUDIXTAWTFME-GDLZYMKVSA-N	622.698	5.921	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100127211	VAQVKCVBBNWCFS-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc(-c2ccccc2)cc1	100858853	FJOIULQLNVZTHA-FADJLKOXSA-N	578.763	6.934	50	40	KKGB	
Br[C@H]1CC23CSCC2(C[C@@H]1Br)C[C@@H](Br)[C@@H](Br)C3	101042801	AQSPUIQUKLGURA-ZYOVFQDESA-N	511.943	5.348	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)cc1	101464033	JLYYHAXYIRGYLC-QJCWEMJFSA-N	609.358	7.087	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	101717684	LQLHSQYBUNRWGF-LICLKQGHSA-N	530.191	6.475	50	40	KKGB	
O=C(NNC(=O)[C@H]1[C@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl)C1c2ccccc2Oc2ccccc21	102188585	LIUUITMRHMPARO-SDVFQCAASA-N	611.092	5.234	50	40	KKGB	
COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1OC	102957014	RCIJSZVEAKZJNO-DMPVERFASA-N	575.646	6.418	50	40	KKGB	
FC(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528804	ABAHPVKRQVWRDP-UWTATZPHSA-N	592.002	7.117	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Br)cc1	103882627	XIOFOPHHFWWGCX-QJOMJCCJSA-N	532.438	5.292	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	103889623	QJCIVMLREGXIOM-CHHVJCJISA-N	537.186	7.333	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	103889990	LNBGLVXDWGPKMY-JYRVWZFOSA-N	527.145	5.164	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl	113837635	JMUFEFYCYNDUDB-LZYBPNLTSA-N	529.221	7.284	50	40	KKGB	
c1ccc(C[C@@H]2COC(c3cccc4c3[C@@]3(CC4)CCc4cccc(P(c5ccccc5)c5ccccc5)c43)=N2)cc1	117694195	WDIPXXMCRPGMIB-HRAIKHIJSA-N	563.681	7.011	50	40	KKGB	
c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCO3)cc1	135878103	WCVFBMKDGBGXKM-UHFFFAOYSA-N	580.604	6.641	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342320	PTGVAAVUTDOKMP-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	150385225	AOLCZMFLJGMSFC-FDALDRLYSA-N	690.063	7.978	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	150385233	CBXYZXXWTUQLJN-FADJLKOXSA-N	641.591	7.016	50	40	KKGB	
C=CCOC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	169724483	WCMFRXGMKLCNDT-ZPGRZCPFSA-N	781.819	6.354	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	408539198	FOQRTYWNFUJNCS-CAQPMQTCSA-N	604.457	6.678	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408553851	PWGWHSMZTUIRAQ-IRWBXMRWSA-N	685.420	8.949	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408568490	JTRZHGCPBGFBCL-FJEPWZHXSA-N	586.135	5.682	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)O)c1ccc(Br)cc1	408578868	BGUVDMLSOCKVFE-LFYBBSHMSA-N	515.983	5.502	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1	408598456	AUCZFSXXMLXKMA-YBFXNURJSA-N	587.870	7.455	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2	408605095	KORLAGVAHYWBLE-BHGWPJFGSA-N	510.638	5.716	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	408608778	IOGATVQIMIKBQS-MUFRIFMGSA-N	514.409	5.840	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1	408637617	LSKHUEAXUSGUDL-QABMSTFYSA-N	588.487	7.576	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408653139	DVVBJQNNRVGXGZ-LGKHCZOZSA-N	652.767	5.342	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1ccc(N2CCCC2)cc1	408677536	RKEGUKWDEFOMNQ-LQKURTRISA-N	604.286	5.997	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc(I)cc1	408711817	MCNHBZNBACHCCM-MUFRIFMGSA-N	529.381	6.211	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCc1ccc(Br)cc1	408711822	MIVRQNDQTGINEB-RPPGKUMJSA-N	691.101	6.010	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1ccc(Cl)cc1	408725778	KCBYQEHJVHPNJW-KKMKTNMSSA-N	582.676	6.312	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1	408743572	GTYXGOCKACHWPC-ODLFYWEKSA-N	526.228	6.645	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)ccc1I	408746767	GURGAPNHLNSJEA-KBKYJPHKSA-N	736.098	5.918	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)C(=O)NC2=S)cc1	408754616	KYSRWHYTNGDNFN-OZEWEATKSA-N	597.700	5.899	50	40	KKGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1Br	408756173	NZWLHJATVMKINE-WGOQTCKBSA-N	509.381	5.134	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OCc1cccc2ccccc12	408763262	OSTHBKWSCZOPGE-RIFWXKNHSA-N	685.584	5.794	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	408766749	FXXHESZCXIAHPA-FDAWAROLSA-N	564.063	5.522	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccccc1F	408789887	SIVVTCXPYRKAIG-LZYBPNLTSA-N	550.211	7.028	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(O)cc1	408790396	VXSJWYLXDYVHKT-LZYBPNLTSA-N	640.190	5.865	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)c(C)c1	408790720	RDADHPZWJFXYGV-BUVRLJJBSA-N	558.419	7.186	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccccc1Cl	408790969	ZSRRJUDTXORCAH-RQZCQDPDSA-N	580.693	7.933	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408794853	KHIBPXBXVBQVJC-VCHYOVAHSA-N	604.682	6.776	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c1	408795366	VEZUOJJSJWTVJX-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1	408795457	LGDFVCKLPYWKKB-XDHOZWIPSA-N	511.803	6.626	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408799421	ZGIZVCRKCCTYPI-REZTVBANSA-N	580.693	7.851	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1F	408817927	YVIDJWHSBIAUAC-DBFSUHOCSA-N	590.243	6.839	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408822475	BWCHGQKYMQTWCG-ZVHZXABRSA-N	618.473	8.004	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1	408825871	JVTWRRXXELRYOD-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccccc2)cc1	408828731	JDDNDFVFGCNSEU-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408839114	NFFZWRWPSRBLDJ-WKULSOCRSA-N	521.042	6.687	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl	408839951	BQBSFFNARCLPDR-RPUDKEGQSA-N	604.441	7.356	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	408840067	ATCVRPYHUOTCML-RVDKCFQWSA-N	702.778	8.356	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1	408840861	CMGPEDAZTMADCS-FABQOPTDSA-N	606.462	6.636	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1C1CCCCC1	408841454	JDHNMFDXUSDKQJ-IPPBACCNSA-N	503.594	6.522	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4ccc(F)cc4)cc3)cs2)cc1	408843498	NJFKQRRZFGOEJN-DPNNOFEESA-N	536.632	7.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408843568	MDOPIABEASLAGH-QNVXDBMFSA-N	647.540	7.910	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4OC(=O)c4sc5cc([N+](=O)[O-])ccc5c4Cl)cc3)sc2c1	408846494	SPTZKJUSHRBSSI-ODQASSKESA-N	703.585	8.875	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408854830	JUQIUZXFFXTQHD-PPDIBHTLSA-N	603.223	6.218	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OC	408862349	YDZQMGOBQZGCCB-KEIPNQJHSA-N	664.578	6.191	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(C)c(Cl)c2)cc1	408864938	BCNVUHFBPPMNRK-VTNSRFBWSA-N	567.086	5.849	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2cc(Cl)cc(Cl)c2)cc1	408878827	CDFXXPPFPQFZAQ-ATZGPIRCSA-N	616.954	6.880	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	408884628	XXHADPZOAIHTFB-LUOAPIJWSA-N	542.644	6.517	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408886181	IRTJFLWQJCRCMP-KGENOOAVSA-N	525.026	5.923	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1	408888994	AIMVEFSPOIBQJC-YBFXNURJSA-N	507.930	5.780	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1cccc2ccccc12	408891106	LNEGGHPMJRCCSR-HYARGMPZSA-N	571.427	6.824	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)c3cccc(I)c3)cc2OC)cc1	408892482	ZUWABJYSXFAQRM-LGJNPRDNSA-N	609.214	5.054	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)c1OCc1cccc(Cl)c1	408892622	CGPSWUXYDZBKLT-LDADJPATSA-N	590.699	7.307	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408905556	ZFQPWBQWKIJGIF-MBTHVWNTSA-N	553.413	6.137	50	40	KKGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(C)(=O)=O)cc1	408921406	HEAIKUWMTBWNOV-FKBXNUFCSA-N	545.661	5.122	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2I)c1	408925696	SWVRKVUISHANHE-GIJQJNRQSA-N	792.047	8.162	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OC(C)C	408943655	LSAKXNXOVHNVNO-MYKKPKGFSA-N	571.209	5.750	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1	408947006	NIKAKKDUEQLPIU-NDEPHWFRSA-N	716.452	5.676	50	40	KKGB	
CC[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408949862	SGYGGYBIRZNGTP-DHBSWXANSA-N	560.492	7.165	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1ccc(C(C)(C)C)cc1	408968578	XNIBKBPPQYMKFJ-UVHMKAGCSA-N	547.291	6.386	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1	408974540	ZOJDAKNGCHHKAP-MWRDTLLRSA-N	584.298	5.107	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)cc2)c1C	408993221	CUXLOXPWALQCHS-STZFKDTASA-N	508.359	6.033	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1	408994260	YREOEEJCLFQOMW-OQLLNIDSSA-N	551.993	6.771	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1	408994470	ZIJQFFLYZYTXCI-YWFITGJYSA-N	611.661	5.358	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409004722	BNOJHUGKJCMBKW-YUMHPJSZSA-N	567.730	6.536	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)c1cc([N+](=O)[O-])ccc1O	409054848	GXIZMKXPSCZUFT-NLFZSSNBSA-N	627.440	5.574	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)c1C	409067885	QMAFTVHPDPIEKC-CPNJWEJPSA-N	511.397	5.379	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Cl)cc1	409100214	VNHCDUDIBOMQNJ-XMMPIXPASA-N	555.812	6.027	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c2ccc(F)cc2)cc1OC	409115632	SNPSDHIREVWPRR-KVAAJVFYSA-N	646.524	6.074	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1cccc(I)c1	409187269	OFFKVAYPTFQNRX-BRJLIKDPSA-N	614.075	6.159	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(I)cc1	409193581	HEQNXTRMQOOGGY-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OC(=O)c2ccc3c(c2)OCO3)c1	409217346	BOYZJSLSHFSHMY-UHFFFAOYSA-N	571.973	5.313	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccccc3)c2)c1	409226208	PTBUPIAKJBGRLA-KXBRCCDJSA-N	598.453	6.093	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccccc3)c2)c1	409226912	XTYDGCFHBTYAAX-IZQAFTORSA-N	503.558	5.630	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409232932	TUKBGOPPJVWGJG-SPMKTWQFSA-N	609.464	5.800	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)ccc1OCc1ccccc1	409257386	OHXXXHVEDXOCSU-OJYCWLPVSA-N	581.669	6.071	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cccc(OCC(=O)Nc5ccccc5C)c4)cc3)cs2)cc1	409258991	WJVKGQSIARLLEL-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409266121	OUFKYKPZMQKLIG-RQRWGXNHSA-N	674.610	8.349	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1OCC	409311130	DMAAOOSZNUEYGB-MWLSYYOVSA-N	527.390	5.895	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	409311273	ZBAZPAWBWRSEKW-CNCDYAKUSA-N	681.809	7.142	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1OCc1ccccc1	409314776	SKOASEHTPRPTAG-QMRORBIVSA-N	613.925	7.976	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1	409363061	KUXAWUMUTFBNFF-WKIKZPBSSA-N	575.257	6.008	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409371821	PJYOMHVPPWDDMX-QRVIBDJDSA-N	518.400	7.952	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(I)cc1	409372287	MJBFTOKDGBVRIE-RCCKNPSSSA-N	521.785	7.741	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1	409385331	JNJKIKVAMYJWQA-WKULSOCRSA-N	560.429	7.068	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(c1ccccc1)c1ccccc1	409393030	URHLWWZCHPYKNB-KYHGBAKBSA-N	612.749	7.726	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409396234	XFKXWKXNZQLUSX-UHFFFAOYSA-N	659.924	7.029	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397867	OWUSDWGHTIMYGJ-UHFFFAOYSA-N	609.635	5.861	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398607	UUTMFBPBKFKLGR-UHFFFAOYSA-N	621.690	6.805	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3Sc3ccc(Cl)cc3)o2)cc1	409409356	NZSHXIXQOLSKDB-APTWKGOFSA-N	556.087	7.835	50	40	KKGB	
Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)c(=O)n(-c2ccccc2)n1C	1103715	LLVLQLMNXMKKNW-NCELDCMTSA-N	558.642	5.670	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)c(OC)c3)C3=C(CC(C)(C)CC3=O)N2)cc1	1472076	NSIAAHOOYSHGKR-HHHXNRCGSA-N	547.677	5.540	50	40	KKGB	
COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3cccc(Br)c3)cs1)oc1ccccc12	1817489	QGMDZYIJGUCZQP-DTQAZKPQSA-N	502.393	7.457	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1cccc(OCc2ccccc2)c1	1876016	CQNWUKVXVUEHLX-HNSNBQBZSA-N	580.735	6.147	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1	3274688	YGWUTADIQLQPLD-NDZAJKAJSA-N	512.635	5.159	50	40	KKGB	
CCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	8449616	BCYXZGBFKZQIMN-UDPGMGRYSA-N	541.280	5.235	50	40	KKGB	
O=C(c1ccccc1)N(NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cccc(F)c1	9348240	VOXBTLJKEQVLAU-UHFFFAOYSA-N	509.364	5.747	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1	9427671	CFOXALLTRPHDFB-KFRXSKPZSA-N	525.630	5.545	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3OCC)C3=C(CCCC3=O)N2)cc1	13174456	XSUBCBUTJJEYMQ-SANMLTNESA-N	503.624	5.285	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)c1	16291402	PULHRNVUOXMUMV-DXJNIWACSA-N	528.678	5.052	50	40	KKGB	
COC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1Cl	20028834	KHJUZXROACKIKE-QFIPXVFZSA-N	502.423	5.543	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)s2)c1	97965728	UAQGASBCRDXWGO-QNVXDBMFSA-N	593.923	8.330	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CC[C@H](C)C2	97971153	OBPNPXGRCJLBSV-SUCHYCSPSA-N	528.552	6.874	50	40	KKGB	
Cc1cccc(CN2c3ccccc3C3=C([C@H](c4ccc(C(F)(F)F)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1	100032575	DVRPRTALGOAVPG-HSZRJFAPSA-N	523.536	5.540	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)cc1C	100124128	UINQIRAVDXUBME-FABQOPTDSA-N	582.648	6.075	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100224495	PZVJVJQROASRJF-BRJLIKDPSA-N	555.297	5.577	50	40	KKGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	100238413	RMBWUDIOCHKDKT-VOWJQMTESA-N	545.463	6.334	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1cccnc1	100434479	RZYIFOLXZXKSIU-MUXKCCDJSA-N	525.571	5.000	50	40	KKGB	
Brc1ccc([P+](Cc2nc3ccccn3c2Br)(c2ccccc2)c2ccccc2)cc1	102928407	LEWFPNILHOFLCO-UHFFFAOYSA-N	551.242	6.353	50	40	KKGB	
C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(Oc5ccc(C(C)(C)C)cc5)c([N+](=O)[O-])c4)[nH]c(=O)c23)C1	102988833	IUFZVVGUPMEKRF-SQFNAUOLSA-N	540.645	7.172	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccc(Cl)cc1Cl	103890326	JHMGUSNBROEOJD-BOPFTXTBSA-N	529.254	8.157	50	40	KKGB	
Brc1ccc(NP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104111302	ZAHJXZOMTJPARR-UHFFFAOYSA-N	513.213	6.616	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)Oc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	104161537	PSWABUAORAVQMD-UHFFFAOYSA-N	520.711	9.276	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)CCc3ccccc3)c3ccccc32)cc1	112255464	GAJDSFQBXPIMNY-RRGMHWAFSA-N	539.635	5.281	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795414	OTLNGCYILONYNP-GASCZTMLSA-N	800.235	11.331	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)cc2OC)ccc1OCc1ccccc1	408540151	NTNYFMAVDSDSGX-BOABNOFISA-N	667.158	7.867	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540236	OXFOFPNAVYHWPV-QFEZKATASA-N	647.953	8.213	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	408540285	PQCZIBUTZGXYJO-LMOHNTGSSA-N	651.159	8.248	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccccc1	408540556	TZQLWBFNFOZBSV-MZFJOGFUSA-N	515.009	6.199	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1Br	408541197	YIQOVICOYHXCNH-MIXAMLLLSA-N	560.330	7.868	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(C(=O)O)cc1	408552516	JEQSYVYGLLUWCF-RGVLZGJSSA-N	653.498	6.325	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553750	PJWVDZQZAHHZDG-LZYBPNLTSA-N	532.767	6.645	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408569655	PEORHKSLSMLELL-VFLNYLIXSA-N	612.398	7.343	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1	408607980	GGHQFMDXYVCMTK-STBIYBPSSA-N	509.990	5.195	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408608658	IBJWWAFUJHPSST-CCVNUDIWSA-N	500.382	5.368	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408641696	LCCWWUGXQBCBHZ-BKZNIZDZSA-N	645.175	5.934	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408674536	ZZUSALBRUDCYDU-ARODRUNXSA-N	685.196	5.543	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1ccccc1	408686502	SQNWCKGFOFGLEI-XNMGPUDCSA-N	573.399	6.392	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccc(Cl)cc1Cl	408723244	RYPISUFBBSSCSO-AHSJSASQSA-N	600.889	6.613	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3cccc(Br)c3)cc2-c2cccc3ccccc23)cc1	408725362	OEROESVINLJVFE-UXHLAJHPSA-N	509.407	6.527	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1	408727021	XSVQVZLZUCYKPS-UNOMPAQXSA-N	522.355	5.881	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1	408727235	ZDLVCLXNOIPFQS-HMAPJEAMSA-N	535.438	6.680	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741942	OIMVGLIPNKIKPO-BIZUNTBRSA-N	628.426	6.794	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br	408747214	KOSPACSWSVOLLU-JYRVWZFOSA-N	539.021	5.532	50	40	KKGB	
Cc1c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1	408748063	XVVIJMLJDIHXTC-FMFFXOCNSA-N	508.021	6.038	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	408768215	VAPYTSCYLAQXNH-OGLMXYFKSA-N	533.481	5.185	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)c2cccc(C(F)(F)F)c2)cc1	408778516	GQXFOBYDKQKTCI-CCVNUDIWSA-N	554.388	5.122	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(C)cc1	408788716	FMHJTAROGMJKCH-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408793054	CWKLARJJVHTXQM-LPYMAVHISA-N	531.837	7.689	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408819143	ZSJSYHQTYONFOZ-RMORIDSASA-N	651.036	5.733	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c1	408827936	HZWOWLKDJLQFTC-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408830403	MSPXZYRNCDJEEN-ZCTHSVRISA-N	559.644	5.086	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OC	408833684	UMQYFDDSFXZCNZ-WOJGMQOQSA-N	527.802	6.244	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408833723	SMPDJKAGIQNRTH-PCLIKHOPSA-N	584.028	7.351	50	40	KKGB	
COc1c(Br)cc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408845242	PRVUUVPTVUVMDM-XODNFHPESA-N	555.885	7.051	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408845722	RGDACJBNJKSUNL-OKCVXOCRSA-N	577.504	6.962	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(OC)c1	408846906	RSWUXRNLENTFPE-OCSSWDANSA-N	534.085	6.826	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1	408859156	MBBRPDSRTHWTDS-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(CN4CCN(c5ccccc5OC)CC4)cc3)o2)cc1	408861907	GRQODQJLAFLXHI-PPOKSSTKSA-N	566.658	5.218	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2cc(Cl)ccc2C)cc1	408862857	IOJHTAMCLATDGX-ZKZIKLGPSA-N	633.170	5.559	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12	408863535	PBFAKMNUGFBASQ-RBVAJZFBSA-N	592.117	5.774	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408864514	WOEQRTJAGHPSFW-KEIPNQJHSA-N	567.642	5.904	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	408866759	GKRABWIOBNDSDB-VWJSQJICSA-N	593.492	6.930	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccc(C)c(Cl)c2)cc1	408868014	LBEMWRDDUZOSFQ-UHFFFAOYSA-N	504.096	5.861	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1Cc1ccccc1Cl	408875431	FNYVRGPSRXFCLI-LICLKQGHSA-N	546.767	6.229	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1OCc1ccc(Cl)c(Cl)c1	408878559	ALEMHKSZJWQSPA-SFQUDFHCSA-N	532.221	6.889	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c(OC)c1	408881914	OCSLSNTXNZJTMF-RGVLZGJSSA-N	525.374	5.408	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OCc1ccccc1Cl	408893772	HMFMHPRXTRZDJJ-CXUHLZMHSA-N	522.215	7.433	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OCc1ccc(C)cc1	408893946	HDZWLQIHGYUYJC-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408895830	LZPWNQOMLSXAIT-RWPZCVJISA-N	579.363	6.374	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1cc(C)cc(C)c1	408896512	NYVJVSLPBBSRRD-KEBDBYFISA-N	525.830	6.853	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)ccc1Br	408904233	GVYVRECNHLAKQJ-RAWMCFOBSA-N	641.114	6.925	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(O)(c1ccccc1)c1ccccc1	408914875	ZIOFGTPCMSIPSO-FDAWAROLSA-N	505.401	5.959	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OCc1ccccc1C	408922921	HQMQAIKZATUHMA-OCSSWDANSA-N	564.423	6.494	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c(OC)c1	408925453	TXBDLFLSJUOQIQ-HZPNJSBVSA-N	748.634	6.912	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1	408925809	TXTKRENBTBIVGK-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1	408942568	GFTATSQJQCOBBL-MHZLTWQESA-N	696.440	6.764	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c(OC)c1	408948062	BTGZMEJORDNMAV-PDQWDMBESA-N	903.306	5.966	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCc1cccc2ccccc12	408948128	OVFWANMVJYXJQF-YTTGMZPUSA-N	764.642	5.917	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(I)c1	408949611	RIOYFNQISOJRTF-HHHXNRCGSA-N	781.442	5.657	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408972150	SUSXZZYPFGIBOE-VKZMAOFBSA-N	566.496	5.397	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	408973224	XQFGYIAZTUKUEH-XVTPYAIASA-N	733.874	7.642	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	408973484	SSXOFIHHNUQHPI-UVHMKAGCSA-N	585.307	5.106	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC(=O)Nc1ccccc1	409003827	VGTDWGHFIKQBAT-PUHRSXQTSA-N	564.642	5.114	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409038260	FBOOEVYCARAMPR-ATZGPIRCSA-N	617.956	8.313	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1cccc(C)c1	409041554	WERPZTHRZQRLMT-FZKWRIDDSA-N	580.482	7.324	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)c1nc2ccccc2o1	409045551	ZEBMINRWHARHBT-CXUHLZMHSA-N	544.630	7.649	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1)c1ccccc1	409048542	RSVLTBFBRRDCBH-GIJQJNRQSA-N	503.621	7.508	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409087610	CJNYGJRFKWZTLE-XSFVSMFZSA-N	544.520	5.977	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1	409120089	VAUOBABWODLOTK-AQLQTECXSA-N	587.967	6.404	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1cccc(Cl)c1	409143864	NTRORAUTSDXMPH-OAQYLSRUSA-N	515.791	5.505	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)o1	409156534	OQDNPURFCGXHKV-ZOWVIHBMSA-N	589.476	6.310	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)ccc1OC(=O)c1ccc(C)cc1	409217641	DXIUMRNHDHIACO-UHFFFAOYSA-N	551.599	5.638	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1ccc(Cl)cc1	409219181	KENDBCSMDULTRI-LKANYEMDSA-N	610.895	6.069	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409222971	YHMOMOGFOXBNPV-NHDPSOOVSA-N	541.356	8.290	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409225620	RLDNABACRPWOPV-UHFFFAOYSA-N	733.291	7.195	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)NCCCc1ccccc1	409246006	CJPQFUSQQWTTEV-BKUYFWCQSA-N	527.821	6.477	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409261009	ZSZAYOIVDVSPII-WSDLNYQXSA-N	548.437	5.315	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409265473	VCEPXAKXPQUNEL-MTJSOVHGSA-N	595.437	5.788	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)cc1Cl	409266390	WKSPTFSTOKFCNO-HTVDVWKISA-N	753.904	8.822	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)c(C)c1	409269171	GJUSFLXIJFXTNL-RODHXAHZSA-N	644.584	8.259	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1C	409270345	DJBRBLKPLZNLCP-XKZIYDEJSA-N	532.438	6.246	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)cc1OCC	409309332	FOKJJUWINLPUDW-MWLSYYOVSA-N	554.441	5.336	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OCC	409318208	XRDRAMAMOZNTAX-BVMLUPFRSA-N	618.912	5.998	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	409364898	RDBRLZOOXMOWOA-MUXKCCDJSA-N	564.705	6.699	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Cl)c(Cl)c1	409368712	IZUWVQNBGKEKBX-FXMZOFOKSA-N	624.171	6.404	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409373658	RZLSFYJZHKSMCH-AMVVHIIESA-N	696.710	7.054	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)ccc1OCc1ccc(Cl)cc1Cl	409383942	QRGOYVZKTKKUFO-CCVNUDIWSA-N	503.382	5.752	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409384287	ALJJFGUVIPGJJR-KKMKTNMSSA-N	539.953	5.513	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409391612	KCCOWBHIQRUUSP-KVAAJVFYSA-N	711.341	7.343	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409394658	DHDVDZFLCOPRGD-UHFFFAOYSA-N	788.629	10.322	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)c1	409395649	QFYQNKRJNSZCGJ-UHFFFAOYSA-N	611.883	7.414	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409396272	XKIHUTMICOZAFV-UHFFFAOYSA-N	713.348	8.924	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1	409396551	YZMNMEKYFWOUKI-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397113	GIYFKGDBCPQFFB-UHFFFAOYSA-N	582.827	7.380	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409398964	XDMPYWOPKRWSPB-UHFFFAOYSA-N	646.881	6.971	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(C)n1NC(=O)c1ccccc1	409410267	UOYFVPDWDHYLIU-APTWKGOFSA-N	549.631	5.832	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409410631	YWLSVEADZJFCMQ-IZYHBKOJSA-N	705.403	8.083	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1c[nH]c2ccccc12	2096905	XTUVPZSEFLRRBC-ZEHKQSLBSA-N	530.057	5.645	50	40	KKGB	
COc1c(Br)c(Br)c(Br)c(CBr)c1Br	2300655	QZQFWZFNSGUJLY-UHFFFAOYSA-N	516.647	5.640	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	2888267	RZLSUHJYYASERO-RAMZYJDASA-N	536.484	6.087	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1	3090252	LSUUOMRQEOCOMK-MUFRIFMGSA-N	521.798	6.168	50	40	KKGB	
O=C(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)N/N=C/c1c2ccccc2cc2ccccc12	3168671	ZHLKROOMVOPRSJ-VQGAUUQYSA-N	508.581	6.290	50	40	KKGB	
C=CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1Br	8384614	MEYOTLHAJBSCRD-DBWJSDGISA-N	517.423	6.628	50	40	KKGB	
C/C(=N/NC(=O)[C@H](C)Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(C)cc1	8396818	OFCNCOXMVSMILA-SZTWAWJZSA-N	519.074	5.862	50	40	KKGB	
N#C[C@H](/C(=N\NC(=O)c1ccccc1O)C(=O)[C@@H](C#N)c1ccc(Br)cc1)c1ccc(Br)cc1	8653142	JRHDLKYYKPTMNO-USILCFRFSA-N	580.236	5.187	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	14151793	PEJVZFICZCQAEE-WOJGMQOQSA-N	508.430	6.930	50	40	KKGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	19855755	QMVBTOOICQIPLW-UHFFFAOYSA-N	541.802	6.697	50	40	KKGB	
CCOC(=O)C1=c2s/c(=C\c3ccccc3Oc3ccccc3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(Oc2ccccc2)c1	97966316	JKKFLXFHNIPIJV-UTHXJWIVSA-N	613.695	5.485	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(N/N=C/c2cccc(OCc3ccccc3)c2)cc1	97980820	NRSBSBYOLWKBJT-UVNIZBPJSA-N	554.650	7.055	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)=C(C#N)[C@@H]2c2ccco2)cc1	98048606	INTHHSATUMEODS-HHHXNRCGSA-N	557.632	5.765	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)cc1	100124149	OFJCOTMBNXQKRO-DPNNOFEESA-N	568.621	5.767	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	100129571	IVBGKLHODYGASJ-YKQZZPSBSA-N	579.520	5.198	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	100195519	SGZAHNUAIHEJRV-SBWWSWLISA-N	622.681	8.071	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc([N+](=O)[O-])c1	100298641	LIYNTKDXOXDTOR-OPEKNORGSA-N	523.170	6.007	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)c1C	100971967	YBXVEFGVUCRXBE-DOMIBPRUSA-N	522.457	6.675	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)N1	102653468	LFMKLPDPUAVTDM-AREMUKBSSA-N	543.605	5.511	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3Cl)N=C3CCCC(O)=C32)cc(OC)c1OC	102883465	LOZXWXVMSWUFJD-QHCPKHFHSA-N	531.461	7.222	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC	103890688	GAPZXUVUSZMRKP-ZSOIEALJSA-N	542.213	5.642	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699249	JUNPWEFAGNWVKX-VHENUOIUSA-N	546.092	6.586	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2O)nnc1-c1cccc(Cl)c1	105822705	CWXUFZNEUJZYOB-VULFUBBASA-N	522.974	5.147	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)cc(I)c2OCc2ccccc2)c(C#N)c1C	150614458	KBKUDOQKCAAHIU-DJKKODMXSA-N	722.342	6.612	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1	164712316	VBEZCAJIDDWUCL-AUWJEWJLSA-N	637.053	5.232	50	40	KKGB	
C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1	252428270	WEHADPSLZUZOFO-VWLOTQADSA-N	691.655	8.005	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1Cl	408529467	JSJWGMFNWJNBLZ-JJKQSNDFSA-N	584.820	6.661	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	408537219	DDMLBZUQLBZXRO-XYGWBWBKSA-N	628.479	7.460	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)cc1	408606050	LEALTVSWYFCLBV-GOSISDBHSA-N	514.409	5.467	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	408607540	DOEKIXDNMPPYIF-OKCVXOCRSA-N	542.419	5.625	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1	408657601	NGAIVPYPYICHAW-GVOYWKOYSA-N	673.420	7.217	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(I)cc1	408677091	PDXGWJNFCLFLDF-OCSSWDANSA-N	648.339	6.396	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1cccc(C)c1	408677599	SJSVHQRNWJPOIX-UXHLAJHPSA-N	536.470	6.099	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@@H](Br)c2ccccc2)c1)c1ccc(Br)cc1	408687090	UFGATKUNLQQUSA-BDYUSTAISA-N	607.298	7.246	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1OC	408719103	JBHFWUQWJUSDNP-YBFXNURJSA-N	614.270	7.081	50	40	KKGB	
C=C(C#N)C(=N\N(CCO)C(C)C)/C(C#N)=C/c1ccc(N(CC)CC)cc1OCc1ccc(Cl)cc1Cl	408719132	JPSXWTUKQKVPIF-NFPFRGQVSA-N	554.522	6.464	50	40	KKGB	
COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)OC(=O)[C@H]23)cc1	408722105	DSRJGHHICZPACK-BICWFCKHSA-N	542.587	5.403	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2-c2ccc(-c3ccccc3)cc2)c1	408725363	OFQQVGHKDVJRTA-BIZUNTBRSA-N	500.558	6.007	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1	408728343	JWTLFPGDTJAUSH-UXHLAJHPSA-N	563.035	5.716	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2c(O)c(I)cc4ccccc24)c1)CCCC3	408732022	ODUXUHUKEOCUKZ-BVMLUPFRSA-N	634.499	5.862	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408745225	QJSOZRZDPOHKAS-HMAPJEAMSA-N	561.863	7.779	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408746691	FSCUELUNSWGPBN-MFOYZWKCSA-N	682.106	6.639	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)ccc1I	408747835	UMEPHFXWFQLTGB-DHRITJCHSA-N	501.368	5.088	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NCc1ccccc1	408747910	VPVHIIXCINXXTK-LSCVHKIXSA-N	595.118	7.321	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408753488	MZNCIPOSFSXGAH-BOPFTXTBSA-N	502.195	6.881	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408758840	SGFNGHPWTFYZEI-ZSOIEALJSA-N	597.230	5.977	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)C(C)C)cc1	408762154	CZXNUBJYAHVIAD-GYDLQOCGSA-N	593.705	5.974	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408762161	DAXYSDXGKHJMGO-RPPGKUMJSA-N	617.261	5.594	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1)Nc1cccc(Cl)c1	408777938	MPEVNLCAHXVVLT-ALQBTCKLSA-N	553.062	5.680	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Br)c1	408792393	BFCKPRLYJDVMPF-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I	408793006	CQBWIMBDHBEIRQ-OVCLIPMQSA-N	525.184	5.615	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1cccc(C)c1	408797805	SSOFPWBDWSPVRO-WSDLNYQXSA-N	552.412	6.350	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1	408799276	YOQAVVBBHWLMEJ-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccc(I)cc1	408813451	QVNZJBZVMHLKIE-MTJSOVHGSA-N	647.307	6.263	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc(Br)c1OCc1ccc(Br)cc1	408814695	RYSZLGZYZQQYFY-ZNBBLSJYSA-N	536.264	6.011	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1	408826955	UINLMJDIJFQWPN-ULJHMMPZSA-N	538.629	6.386	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2cccc(Cl)c2)cc1	408833146	VUZOYFNJEQAUFL-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408836215	ZMKKWQAFCFVRQY-NDZAJKAJSA-N	661.596	9.322	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408837359	CZCVAIUFPPBFBB-HZQMBONKSA-N	733.312	6.325	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4ccc(Cl)cc4Cl)cc3)cs2)cc1	408840662	CXLZYGOKNRYSLK-QNVXDBMFSA-N	666.428	9.274	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408841232	DMOIRYQTKXXUNK-MWBNBJEGSA-N	686.588	8.274	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408841279	FERANHPDSUCDLJ-MUFRIFMGSA-N	594.478	6.795	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1O	408843669	MRSVUBAHOXBCFB-RPPGKUMJSA-N	524.942	5.193	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c2ccc(C)cc2)cc1Br	408860533	XSWNHKQBFYOYHF-ALQBTCKLSA-N	695.592	5.138	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	408861468	AZBDGWOVNFBWAO-KULFSUQXSA-N	663.049	5.861	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c2cc(Cl)cc(Cl)c2)cc1	408862727	IRIDMTVOLDRBGV-XZYGTATASA-N	639.561	5.343	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408888828	BJBBFTVBNXQCAC-SFQUDFHCSA-N	517.390	5.705	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408890651	XEAVZMDSXDGFFJ-IBBHUPRXSA-N	586.269	7.291	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1Br	408895574	LHMFHDYQYPYLQU-YBFXNURJSA-N	556.254	6.653	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408897597	YTOILCQTOJDXPW-CXUHLZMHSA-N	522.215	7.433	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OCc1cccc2ccccc12	408897599	YUCKDKMYTGVENP-WKULSOCRSA-N	570.814	6.449	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408905129	UCDNFJMJMKPOEW-DBFSUHOCSA-N	646.369	5.265	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1cccc2ccccc12	408946410	MWBFGHFVVFFFAM-HKBQPEDESA-N	722.061	6.720	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1Cl	408946964	ZSJPDLLQFFFXFG-VPUKRXIYSA-N	511.331	5.817	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408954161	NDDMTIOSRFCNIG-VULFUBBASA-N	655.230	5.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(C)n(Cc3cccc(Cl)c3)c3ccccc23)c(OC)c1	408958596	ZITUIMCJSBQPEL-CPWJUULTSA-N	644.128	5.380	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408971691	JMQPOMAYSBELFX-GWSWIJHGSA-N	659.397	7.524	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1cccc(F)c1	408981295	VQDAMZZWHOFRPC-RBVAJZFBSA-N	575.662	5.282	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1C	408983855	NTULTOUBMJWFMY-JLPGSUDCSA-N	530.455	7.834	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1C#N	408994325	YLUSXDLHLKSXEC-JAIQZWGSSA-N	506.787	6.407	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	409004297	BUZBULYDJKVZQQ-PUGUIWBESA-N	603.675	6.582	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	409012902	JELKYNHESKSNPK-CYISTXKASA-N	647.353	5.422	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409029783	BINRAQLGUDCKDM-FZPRHHONSA-N	571.420	7.460	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409031886	BFAICXAQTPQSMY-ZSNJKBEMSA-N	589.120	8.703	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccccc1	409047081	MRZMHOWOKTZWEY-DEDYPNTBSA-N	534.410	5.719	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	409052700	JFFTVTCTTUTLIR-CCVNUDIWSA-N	515.835	6.461	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409069272	VJYVUUDFNAKCAU-XNTDXEJSSA-N	591.814	5.661	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1Cl	409127490	MTXFWOFPFFCPNC-QFIPXVFZSA-N	515.791	5.505	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCCC(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409130107	IIWFXZYDGHUXNC-UXHLAJHPSA-N	542.101	5.727	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1ccc(Cl)cc1Cl	409170816	WOBBHSXBYNALHY-IPBVOBEMSA-N	554.217	5.407	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC	409184799	NRMSINUGDYPELO-DAVRIHBFSA-N	580.504	5.561	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc(C(F)(F)F)cc1	409187199	NGCYCWSMTBGTKG-WQRHYEAKSA-N	537.173	7.874	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3ccccc3o2)nnc1-c1cccc(Cl)c1	409190957	CTAMIZMSXDYFFR-MBTHVWNTSA-N	546.996	6.188	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2cccc(C(F)(F)F)c2)cc1	409225173	PGPFFLDTHOYHSM-CPDSRJINSA-N	542.470	5.191	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1	409247892	DNXJAXVBOBAWCQ-WQRHYEAKSA-N	613.262	5.561	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2C)cc1	409257060	NQNBXGCZVHAIDX-QDTIIGTASA-N	573.285	5.918	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2C)c1	409265498	IQOXIHPORXFHRG-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OCC	409311603	BGZRJMZWZXBWIF-FZPRHHONSA-N	600.499	6.445	50	40	KKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)=C2C#N)cc1	409335783	YERUXRGGPMYCFY-HNNXBMFYSA-N	511.978	5.791	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	409373568	QPUIEDNHLYDBGN-WKULSOCRSA-N	519.941	5.762	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)[nH]c12	409398899	WHGZMFMTZBKQSR-UHFFFAOYSA-N	620.920	8.349	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccccc1Cl	409398950	WWCBEGLLQMUWEW-UHFFFAOYSA-N	544.010	7.625	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OC(C)C)c(I)c3)o2)cc1	409401013	FYZSOXFHBZJLBK-UHBFCERESA-N	597.453	6.422	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)Nc1ccccc1	409402028	IWSYVXNOWXGSJJ-GZOMZLSJSA-N	764.471	7.971	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OC(C)(C)C	409403753	NQFHXFXUQSKKEB-KYHGBAKBSA-N	641.506	6.821	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)Nc1ccccc1	409405276	SOEWQCCYDJRKQL-CLHYIUPASA-N	732.575	7.051	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1O[C@@H](C)C(=O)OC	409405679	UMTWYRZVTLMNGU-LIZYOPNSSA-N	638.515	6.132	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)o2)cc1	409407403	ZPDCTHJNVLMYJM-BOABNOFISA-N	630.720	8.156	50	40	KKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	3210742	BZXRRGGLWASKNF-MTDXEUNCSA-N	505.983	5.697	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1)N2	5494540	XLQGIDCCNPDMRP-DQXGGZLGSA-N	516.044	5.281	50	40	KKGB	
CCN(CC)c1ccc2c3c(c(=O)oc2c1)[C@H](c1cc2c(C)ccc(C)c2nc1Cl)C(C#N)=C(N)O3	6078538	NTYWDDJSYZXLLB-JOCHJYFZSA-N	500.986	5.676	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1Cl	9289380	WUTXSKLKTUOABF-JFLMPSFJSA-N	515.791	5.413	50	40	KKGB	
O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	11027066	RVMHYGGWECGRJP-UHFFFAOYSA-N	559.349	5.899	50	40	KKGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1OCCOc1ccccc1	12137190	BMUNKBBSYBTZBO-UHFFFAOYSA-N	503.382	5.071	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	12250076	LOIAFMUYDXFOIE-VWLOTQADSA-N	516.598	5.742	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(CC)cc3)cs2)sc(C(=O)OCCOC)c1C	13750615	MIEFKUDFNOKDEJ-RGEXLXHISA-N	525.652	5.699	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1	20764966	WCWWLSDFNKAHEB-STBIYBPSSA-N	503.396	6.344	50	40	KKGB	
Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C\c4ccc(OCc5ccccc5)cc4)[nH]n3)cc2)cc1	30750410	SSBJWJXZQHQATE-UCMJSZAQSA-N	516.601	6.307	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2ccccc2c1	59336225	HGDYUHVDHGKZBC-XKZIYDEJSA-N	503.385	7.280	50	40	KKGB	
Cc1ccccc1OCCOCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NCc1ccccc1	97964543	LXCNDAUZMPITTG-JJIBRWJFSA-N	535.438	5.455	50	40	KKGB	
C/C(=N\NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	97965696	UISLMHMFAKLMBC-VNTWQREPSA-N	532.243	5.848	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	98048684	UVGQVHWSVNVGRV-HHHXNRCGSA-N	598.046	7.170	50	40	KKGB	
CC/C(=N\NC(=O)CNc1c(Br)cc(Br)cc1Br)c1ccccc1	100041969	FSBQMHUDXLVDFG-PXLXIMEGSA-N	518.047	5.317	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100123078	GMRSAAUMPWDPDP-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccccc1	100289559	RCYSMEDTOSOPNN-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1cc2cc(Br)ccc2o1	100458642	PDYDQENYZHGQGR-SCDVKCJHSA-N	516.971	5.190	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1	100869215	NQZHCRYNJXAXDK-BDPHVXEFSA-N	523.536	5.779	50	40	KKGB	
C[C@@]12CC3CC(C(=O)N/N=C/c4cc(Br)c(O)c(Br)c4O)(C1)C[C@@](C)(C3)C2	101055055	FNQGYRPFUFAGIT-OVGWYVTHSA-N	500.231	5.070	50	40	KKGB	
N#CC1=C(S)N[C@](O)(C23CC4CC(CC(C4)C2)C3)[C@@H]([n+]2ccc3ccccc3c2)[C@H]1c1cccc(Br)c1	102889245	WILQYOYRSQXGCH-DVHXHPIBSA-O	573.580	6.388	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103889549	RQBICVXZVWTWEA-WMZJFQQLSA-N	596.002	5.370	50	40	KKGB	
COc1cccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3Cl)CCCN2Cc2ccc(N(CCCl)CCCl)cc2Cl)c1O	150374436	LXBWGJQCXFHCKT-UHFFFAOYSA-N	737.427	8.682	50	40	KKGB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)CCCN3C(=O)/C(=C\c4ccc(C)cc4)SC3=S)C2=O)cc1	150436291	DGLPHWJCQFWYNH-GJHDBBOXSA-N	638.862	5.114	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	164335532	HWKPXRJLSRZGIR-OCKHKDLRSA-N	695.182	7.687	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795503	OJLRPZXRBJZULH-FGZHOGPDSA-N	998.438	15.332	50	40	KKGB	
S=C(Nc1nnc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)s1)Nc1ccc(Cl)cc1Cl	169810961	KBDJPLYFZFRYTB-CJODITQLSA-N	601.448	6.782	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCc1ccccc1Cl	209665019	CLKNRHXLUJUNMF-HZHRSRAPSA-N	558.103	7.404	50	40	KKGB	
COc1cc(-c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)c(OC)c2)ccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	245285887	ZGTOLWFJKMXNQF-JNILRIDESA-N	856.200	5.935	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(OCc4ccccc4)c(OCC)c3)cc2)cc1	408537396	DMGXVTRYKPZOFX-VFCFBJKWSA-N	548.639	7.188	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408540308	PVNJBKSSGLBBOT-RSEYIHLLSA-N	660.767	7.994	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	408540909	CQODUVQUCXQRHS-IWIPYMOSSA-N	509.537	6.056	50	40	KKGB	
CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	408552130	HLZQAJWOURHFAY-KGENOOAVSA-N	525.630	6.073	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552938	SOHQLMAEDIPDDE-LICLKQGHSA-N	636.273	6.560	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	408555430	XIIRWSFZORHTLP-NKHVPTTDSA-N	687.374	7.134	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(Cl)c(Cl)c1	408589102	YPFGRZDRJNNVJJ-IUXPMGMMSA-N	538.066	8.162	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408607003	BJTFWHFFSKZTAX-UVHMKAGCSA-N	514.807	5.387	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408607800	OJOMHKQALINEMQ-INIZCTEOSA-N	518.372	5.216	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408611077	PUZARDOOQURIDW-CCVNUDIWSA-N	500.382	5.232	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1	408660361	PVUYQGGLXDGOGJ-JUZVMKTGSA-N	679.383	7.475	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(I)cc1)c1ccc(N2CCCC2)cc1	408676523	JZTUIXFGHDJBTR-WPWMEQJKSA-N	525.390	5.234	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1OCc1ccccc1Cl	408676981	OFCUUXWFCPYLLX-UZWMFBFFSA-N	518.057	6.410	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	408711955	SFRFJJDMVLIUGH-DICXZTSXSA-N	501.808	5.773	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1	408728525	OCJVIACNQZEOBR-KEIPNQJHSA-N	568.098	6.961	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408733619	MKHMJNXPFKALIA-CCVNUDIWSA-N	513.402	6.590	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)c(Cl)c1	408740561	LMWOAYXSTODVMA-YSURURNPSA-N	619.628	5.426	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408742421	AHHDSPOXQRZXLQ-RGEXLXHISA-N	515.367	6.214	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408746661	VCEYCCBKJPEWBC-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)ccc1I	408747326	MDRVZIXCBWFWEC-BRJLIKDPSA-N	657.202	5.156	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	408760579	BCPDBQYPPZLTRT-LSHDLFTRSA-N	523.137	5.152	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(Br)cc1	408777436	ZBRGOFTXAIBGEA-PXNMLYILSA-N	508.210	5.231	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c1	408785754	BOIBQBFFMDVXDZ-VFCFBJKWSA-N	602.532	8.907	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408788146	BINJKMWBVFZBIF-WSDLNYQXSA-N	528.362	6.635	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1cccc(Cl)c1	408802916	JDWOYEYRALZVJV-GIJQJNRQSA-N	546.248	7.279	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408817733	NVNSTESSCSKQSC-ZMGVVAQMSA-N	560.423	7.085	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1cccc(Cl)c1	408824341	GVEOBIVMNGHYDG-AFUMVMLFSA-N	664.927	7.965	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccccc1	408825306	BCVYMRJCLRHTIU-PCLIKHOPSA-N	573.476	8.096	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(C)cc2)cc1Br	408825550	DSTOBGBLUAGTOZ-FABQOPTDSA-N	700.011	5.783	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)c1	408825706	FPLPSIUCFXVZEP-UQQQWYQISA-N	555.656	5.842	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408826208	KXYMFBOZROFSLF-YDZHTSKRSA-N	686.817	9.512	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4cccc(C)c4)cc3)cs2)cc1	408839238	PFQMPBADIVCPMG-HNSNBQBZSA-N	532.669	7.513	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840442	BHMRBVOTXNHRQL-KCSSXMTESA-N	539.060	7.550	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(I)cc1	408844702	FCCYKDHMIPQPON-WKIKZPBSSA-N	652.226	5.994	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2I)c1	408849372	ZQBPOHQXAHBKDZ-NVJOKUIPSA-N	668.123	7.214	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1)c1cc2cc(Br)ccc2o1	408851448	ZMOSHXVMZCKVTA-FXMZOFOKSA-N	672.086	7.044	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408857465	GWJNTIGIPLLROM-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1cccc(F)c1	408857816	QBRACWBMMXDTAX-JNKLXYNLSA-N	553.059	5.094	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1Cc1ccccc1Cl	408873339	TZZOQPUNMAFOFB-VCHYOVAHSA-N	577.249	7.133	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1Cc1ccccc1Br	408875529	JTZBJPOJCOXLLM-CIAFOILYSA-N	523.858	7.255	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccccc1	408876849	RGGALJKTSSCSPS-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OS(=O)(=O)c1ccccc1	408883206	UEWQHTGEOJXKBP-UZWMFBFFSA-N	566.720	5.846	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)c([N+](=O)[O-])c1	408883252	UMYQCSXGWSWQCQ-RQZCQDPDSA-N	556.344	5.638	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2Cl)c(OC)c1	408889318	BRCKJHUURQTTAS-RQZCQDPDSA-N	619.799	5.995	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cccc(I)c1	408889353	CVNIXHKORZRHRD-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2I)cc1	408963135	MXDRUUSSRCBQLN-KVSWJAHQSA-N	568.289	5.351	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409009021	QSUQMIZQOFJTRZ-XJBPHFQHSA-N	670.121	7.594	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1ccccc1F)c1cc2cc(Br)cc(I)c2o1	409017865	VZUVXWFBMMBGTQ-BHGWPJFGSA-N	552.141	5.494	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409042549	NGAZHWYOTPCSJM-WOJGMQOQSA-N	601.828	5.825	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1	409069987	KFSVYXFODAFXSN-CAOOACKPSA-N	590.655	6.688	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409074952	OZDHOVPXJWSINN-CIAFOILYSA-N	552.414	7.153	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(I)c1OCc1ccc2ccccc2c1	409084204	XDXUADAUUXUUIH-RHANQZHGSA-N	550.396	6.186	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccccc1Cl	409122636	ALGWBPBCNMAFAF-QHCPKHFHSA-N	589.861	5.652	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409203751	XTLFHLIFTITBED-VFLNYLIXSA-N	550.439	5.791	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccccc3)cc2)cc(OC)c1OC	409223009	FVENQFOBXLBZBX-OHUYPAJKSA-N	588.016	5.601	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Br)cc2)cc1	409223713	IBDGZPRIRNFSPJ-FDVSRXAVSA-N	556.844	6.070	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccco1	409224121	KPYVYPVQECUZPP-UHFFFAOYSA-N	551.477	5.542	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C	409256811	QCUIZZLFLONULG-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	409258682	YVGMOLNERSRHEV-XDHOZWIPSA-N	522.374	5.768	50	40	KKGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)c(C)c3)=C2C#N)cc1Cl	409305267	UMKJPELANPFBBX-HNNXBMFYSA-N	520.836	5.130	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409311070	DHFODFLUQSFEED-LQNQUEJISA-N	538.000	5.094	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1OC	409316469	XWDMWFSPYCOFSH-MNDYBZJGSA-N	631.321	5.875	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)cc1OCC	409323893	RNGLKRIWQMVNBP-BVMLUPFRSA-N	667.782	6.834	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3cccc(C(F)(F)F)c3)[C@H](OC(=O)c3cccc(C(F)(F)F)c3)C(=O)O)cc2)cc1	409376681	COCOFVMWZFZWCR-SXOMAYOGSA-N	745.585	5.582	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409380751	ACEIWVJMKSNMES-WBIBEUCMSA-N	700.615	7.505	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409393818	SLWRCJBXZBYHEB-JAIQZWGSSA-N	509.375	6.377	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1	409394544	BXKHYWYYSIGTNL-UHFFFAOYSA-N	795.109	9.421	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395109	JZZSBOGMLLOQAJ-UHFFFAOYSA-N	743.739	7.747	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409396703	AGZYOLWCZVPUAY-UHFFFAOYSA-N	660.908	7.168	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(N(C)C)cc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409396808	BLDBQSYCTMWCCD-UHFFFAOYSA-N	620.662	5.827	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409398085	QJDJEVNJYOYYCV-UHFFFAOYSA-N	615.915	7.300	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(C)=O	409398437	SZEMCAVOCZABFU-UHFFFAOYSA-N	607.619	5.769	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)o2)cc1	409400462	DGHNEUBPDRJCHA-VHFSBPNMSA-N	659.512	6.949	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4cccc(F)c4)c4ccccc34)o2)cc1	409402406	KBSFEBJDSZKOTG-CLHYIUPASA-N	574.656	7.481	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1	1529547143	JDXCOKLAQWBSAL-MKEMXLLOSA-N	781.442	5.657	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccccc1Cl	1529548427	GBXIVNGOMRLQPO-LGKFVODTSA-N	633.170	5.533	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1	1888799	WGKUJAHUEAMQQL-HVBJHMBASA-N	526.420	5.875	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc(OC)c1OC	2754438	IIAMLUIVALHJEP-RWPZCVJISA-N	535.398	5.092	50	40	KKGB	
COc1ccc(OCC(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1	2756932	SYUGHZJNAXYHBC-MUFRIFMGSA-N	519.395	5.719	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3nncn3C)cc2)ccc1OCc1ccc(Cl)cc1	3289077	AEDYRAPEULSFOF-CCVNUDIWSA-N	522.030	5.112	50	40	KKGB	
C[C@@]12CC3CC(C(=O)N/N=C/c4cc(Br)c(O)c(Br)c4O)(C1)C[C@](C)(C3)C2	12374250	FNQGYRPFUFAGIT-LKRVJEMFSA-N	500.231	5.070	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	20348615	LZLSALZVNMJOOW-HHHXNRCGSA-N	512.610	5.841	50	40	KKGB	
N#CC1=C(N)OC2=C([C@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12	33355743	RVHXSUINSRTPCU-QFIPXVFZSA-N	527.499	5.371	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	33787584	RKMMDBGGEZWHMW-CYVLTUHYSA-N	502.546	6.408	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)cc1	36235422	BJPGCWHWUGOQQL-WMGAYZPOSA-N	512.997	5.587	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	58916965	DAIXDTACQJSZDX-DNDVPWARSA-N	511.647	5.932	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(OC(=O)c2ccco2)c(I)c1	98001486	MGUSIBPQWNOLOL-YCPBAFNGSA-N	726.941	5.920	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100120452	FPEIVVJSMCXMFR-JEPNHJGPSA-N	574.556	6.483	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	100326305	WKJUFTQXTBBNOF-UVHMKAGCSA-N	533.806	5.471	50	40	KKGB	
CSc1ccc(/C=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	100852503	YXYQAPXGIXDTDT-MBTHVWNTSA-N	534.732	5.599	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc([N+](=O)[O-])cc1	100858848	ICUWXBBUJKGOFN-RHANQZHGSA-N	547.662	5.175	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F	100952609	RBCAJVJYPFZCAS-VCHYOVAHSA-N	540.345	6.020	50	40	KKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(c3nc4ccccc4s3)=C(c3ccccc3)N2)c1	102930169	OMKAGLLFYHMJQH-HKBQPEDESA-N	619.215	8.929	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	103528735	LJCSEPLJTSOTPS-JOCHJYFZSA-N	504.503	10.174	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)C(=O)N1CCN(c2ccccc2)CC1	103884761	MIUUSKAVYMSJJW-NKFKGCMQSA-N	549.412	5.126	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1C#N	103889965	LHCLTSPIRZKIOT-NVMNQCDNSA-N	604.231	6.603	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1)c1ccccc1	107662372	DMLISANYIXEUGW-ZCTHSVRISA-N	548.064	5.649	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c(C(=O)OCC)c1C	107865749	VARCXSMYOGUDIC-LFIBNONCSA-N	552.561	5.306	50	40	KKGB	
CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341540	FJKLXOLDHXTHSH-GFCCVEGCSA-N	814.296	11.991	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)ccc1OCc1ccccc1	408537646	GPXLLAROZCHAKI-YDZHTSKRSA-N	577.439	7.845	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408543067	NJLFDAYBSBDWSQ-QGMBQPNBSA-N	557.275	7.901	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408544918	YPQWJUJHRTYCBI-ULJHMMPZSA-N	530.024	6.099	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552377	SKPXXTBKGJNDGR-RQZCQDPDSA-N	570.871	7.178	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408567381	DKARWOBBYMOSRY-DPNNOFEESA-N	636.637	7.443	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408637534	AFYJBXHJIBJTGI-KKKDIUQISA-N	714.065	6.806	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408657625	NGLYQPUPXKNZMS-MHLABOFGSA-N	707.437	7.268	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408673784	VHOSCBMLZVRMSP-UJOPUZHASA-N	562.302	5.490	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1	408682197	KFDFPLBITDELQK-XTEPFMGCSA-N	542.429	6.792	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc(F)cc1	408710899	VMAWJDINESPZMX-KBKYJPHKSA-N	634.614	6.031	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1Cc1ccc(Cl)cc1	408712086	YWCLDKAOBMHIRY-MZJWZYIUSA-N	527.793	6.020	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1)CCCC3	408732681	UARQMTOAWKLNRT-MZJWZYIUSA-N	521.440	5.161	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2-c2ccccc2)cc1	408740676	DDYVJFBKQAIFJJ-XICOUIIWSA-N	554.477	8.281	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)ccc1I	408748152	ZETBNRUVCKYMML-ORBVJSQLSA-N	806.991	7.159	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccccc1	408754654	GOVAYPUJWIEFGV-YBFXNURJSA-N	603.254	6.577	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408761701	AZOHRANKCPNJIJ-VWJSQJICSA-N	601.379	7.340	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)ccc1I	408770881	CFASVNKMUGTILH-LQKURTRISA-N	521.402	5.853	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(I)c1	408775991	LUMYOPFPEPYEMK-YZSQISJMSA-N	626.314	5.098	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2cc(C)cc(C)c2)cc1	408783772	QXSOOWAVPOZJJM-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(I)cc1	408788875	GCNJLMPREFBQFZ-RQZCQDPDSA-N	672.144	7.884	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408791656	AHYJFQNISXOONP-KOEQRZSOSA-N	535.556	6.307	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408797678	CNRITQBFPILMSK-KGENOOAVSA-N	568.411	6.213	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCCc1ccccc1	408811898	MEQZPEZLBCFVEG-KGENOOAVSA-N	540.255	6.056	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408822638	CLZNUZQMQBAIMD-MFKUBSTISA-N	573.476	8.014	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(OC)cc1Cl	408830217	OUHOCSLYYRAZAB-FRKPEAEDSA-N	596.692	7.551	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1	408838360	DSJFIJGRTFWBMN-ZCTHSVRISA-N	556.416	5.613	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4OC(=O)c4sc5cc(Br)ccc5c4Cl)cc3)sc2c1	408838885	JSXBNTYMQLIWRU-YLYVUXRMSA-N	737.484	9.729	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1ccc(C(C)C)cc1	408838977	LEADLOWDFHMQTE-FABQOPTDSA-N	568.146	8.502	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408841057	HKQVDLWYDNAORX-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408850680	QQDQSRYAVXBGKD-GMEAVFFOSA-N	570.649	7.432	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(F)cc1	408854605	AELGVVIJIHEAQN-DBSPGSINSA-N	626.526	8.096	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408856466	KGYLFUQYSFHYOM-XKJRVUDJSA-N	577.877	6.430	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408858461	PGRSHUSKPQNPCR-GIJQJNRQSA-N	521.213	7.937	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1)S(=O)(=O)c1ccccc1	408860514	XJIWPNRSQUYXJR-FABQOPTDSA-N	687.012	6.353	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(C)c(C)c2)cc1	408863688	UIUKZHSQZHFXNO-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	408867688	LSVKNCPNSRCVRX-ATZGPIRCSA-N	629.497	5.496	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408874796	AXDSRHDIYSWRAQ-LUOAPIJWSA-N	587.095	6.870	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OS(=O)(=O)c1ccccc1	408881009	JWMNZTNUNRVIDQ-FOWTUZBSSA-N	503.363	5.315	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2I)cc1	408881116	JMVFFGSZYJMUEI-VXLYETTFSA-N	668.700	7.291	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408886817	MLFQCCNCGFWJAV-HNSNBQBZSA-N	601.165	6.500	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C	408887568	RUCDWGQQMZQSLZ-CCVNUDIWSA-N	531.834	5.918	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408891815	VSUVZBLQSTWCFQ-XMHGGMMESA-N	576.244	7.130	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Br	408892487	BWTMINNQUIGVMD-WOJGMQOQSA-N	508.328	5.491	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1OS(=O)(=O)c1ccccc1	408896510	RMUFWPYVLXLFFB-DTQAZKPQSA-N	503.363	5.315	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccccc2)c(OC)c1	408958586	ZGMOQMLDFJUPBF-CKRMDNAKSA-N	777.410	5.361	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OCC)c2)c(OC)c1	408958695	ZXPICTVEYZERSZ-VIIJZLMMSA-N	745.627	6.309	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(Cl)cc1Cl	408981438	BGZHZBZUWJJUEJ-GIJQJNRQSA-N	594.720	8.241	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1	408988991	GGWRLEOCOSBGBN-CPNJWEJPSA-N	500.967	6.802	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)c([N+](=O)[O-])c2)cc1	408991442	OGGPKCSRZBRAJE-XSFVSMFZSA-N	617.668	7.010	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl	409004328	BWMCFOARFXDGLI-IPBVOBEMSA-N	579.720	6.295	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(F)(F)F	409006123	MIBOXXYNUQJEIM-PNQUVVCRSA-N	578.827	6.007	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409011589	GMTXXXQZAUHUHN-VQLSLLNSSA-N	743.515	8.652	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)cc2)S(C)(=O)=O)cc1	409026789	YHFBBEONKKWDPJ-BIZUNTBRSA-N	562.091	5.958	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1ccc(Cl)cc1Cl	409029447	AYVXXWYPLDQEOX-KVQWCIQESA-N	611.441	5.868	50	40	KKGB	
C=CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc23)c2cccc(C)c21	409036401	RGIYDPUNUOSUAC-OHUYPAJKSA-N	507.037	7.385	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OC(C)C	409036800	BORGURZTVHBWSZ-MUFRIFMGSA-N	565.411	6.066	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCC#N	409036981	SBDSNLDGJIWIKY-MWLSYYOVSA-N	515.367	5.339	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Br)cc1	409059725	NSNRQDMXAXKQPM-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccc(C)cc1	409092852	ZSUYXNPERPZKLU-SANMLTNESA-N	535.394	5.682	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccc(Cl)cc1	409132032	OFVBFLQRNQKYMP-HSZRJFAPSA-N	513.775	5.614	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409134491	UDYYWSSDEZOEPC-DEOSSOPVSA-N	544.454	6.094	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409184467	LJRAHLGWXMYMHC-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	409185292	WATXOOBQHYJKIT-HNSNBQBZSA-N	608.116	5.590	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409191497	XMHMBWVDKYXULQ-ODLFYWEKSA-N	513.388	5.091	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1cccc(F)c1	409212052	PMRPQRHSKQAKCK-XODNFHPESA-N	551.865	6.462	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c1	409226039	SJTRKOSRYBEJRQ-UUKSMGFCSA-N	593.552	5.446	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc4c(c3)OCO4)cc2)cc(OC)c1OC	409227155	SMJIUOMZLFZRQP-MJXLXAJKSA-N	632.025	5.330	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cccc(OCC(=O)Nc5cccc(C)c5C)c4)cc3)cs2)cc1	409255113	ZFDGKLRIBVARLE-KMUKQRDJSA-N	589.721	7.260	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(Br)c2)c1C	409257750	PYSFBGNXEZUXLB-ZDLGFXPLSA-N	617.725	7.045	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1cccc(C)c1	409258382	WUGYXXPKOSASIL-ODNPBWNPSA-N	640.165	7.696	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1Cl	409264309	DKHIZJYFSCUBAF-XJECJHNESA-N	646.556	7.651	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1C	409266174	PBGHBUHIHKOPQT-FBNOCWMFSA-N	510.421	5.692	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409267490	VZTPUMGVPKBJCI-GRSHGNNSSA-N	524.404	6.182	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1OCC	409313757	CYGVZQHKQOFHQF-RHANQZHGSA-N	650.491	5.103	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OC	409318044	SSFHKWJNXWNFKT-ULPWCQAASA-N	639.728	5.972	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1OCC	409321009	RILWATAMGSPWDA-AAPHRLRXSA-N	586.350	7.274	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)cc1OC	409321247	HDTRPJXLBQQEOY-VYYCAZPPSA-N	626.323	5.459	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccc(C(C)C)cc2)cc1	409330891	MJZDCBLINZHHEP-UHFFFAOYSA-N	532.710	5.082	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)[nH]c2c1	409373351	HPHSFAAGSYSGSU-MFOYZWKCSA-N	557.673	7.693	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4F)c(I)c3)[nH]c2c1	409374532	SAEGPQNRSYZALI-WQRHYEAKSA-N	509.322	6.258	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409381208	SHEQITQFTMMRSV-FYJGNVAPSA-N	534.012	5.927	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OCc1ccccc1Cl	409381581	HDKQKVPERKBVSD-GRSHGNNSSA-N	561.807	5.628	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1cccc2ccccc12	409383789	HLFIYELQFQBJOE-BKUYFWCQSA-N	557.391	6.972	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1Cl	409384047	XVNNYSZOMYOECQ-PXNMLYILSA-N	576.221	7.126	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	409384956	HCZAJQRCHMZJHW-WCMJOSRZSA-N	542.592	6.699	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409387704	PMZDWLWKBNZYBY-PGMHBOJBSA-N	510.575	6.405	50	40	KKGB	
COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)c3ccccc32)o1	409392460	MSQTZJYNYJOQPC-LJUMEUDFSA-N	507.546	5.265	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(O)c1	409392873	SRRQXAZUOXUYQF-OPEKNORGSA-N	579.201	5.177	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)[nH]c12	409394637	DBLCXZDILNHRRB-UHFFFAOYSA-N	622.859	6.844	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)cc1	409394782	FULOHROUGFZEGH-UHFFFAOYSA-N	677.349	7.360	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(Br)c4c3-c3ccccc3)cc2OCC)cc1OCC	409396131	CJZVUDLFCDHZNN-UHFFFAOYSA-N	700.586	7.785	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409396787	BDNDPZQGNRGCPB-UHFFFAOYSA-N	670.869	8.261	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409396839	BUHZOPCUOSOZTM-UHFFFAOYSA-N	513.937	6.073	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409399493	JGHGKMTUTVJUSI-LIZYOPNSSA-N	638.515	6.132	50	40	KKGB	
CC(=O)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409402247	JJMSGMPEICAODF-FDVSRXAVSA-N	550.409	5.718	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCC#N)o2)cc1	409405773	VETGFOVAOHDHDD-UHBFCERESA-N	502.958	5.586	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccccc3Cl)cc2)c1C	1529548803	FFVNXXSRFHCXBP-IWCMBNRNSA-N	686.234	6.212	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccccc1-c1ccccc1	842714	BLILJGSCMFRKRO-HKBQPEDESA-N	563.654	6.221	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)ccc3OC)nnc2-c2ccc(Cl)cc2)cc1	1896660	MPICZCLYPAPHBO-MUFRIFMGSA-N	552.056	5.246	50	40	KKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	2282485	IGLBHGJUOXDBDH-JJIBRWJFSA-N	508.599	6.716	50	40	KKGB	
N#C/C(=C\Nc1ccccc1I)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	2289860	MZAMDIZKLQNXRE-HMMYKYKNSA-N	505.384	7.058	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccc(OC)cc1	2730401	LLNJGUCAFDHVIY-JFLMPSFJSA-N	521.620	5.165	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	3117054	JYHISSDJNSNINR-UVHMKAGCSA-N	515.791	5.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccccc1Cl	3231387	WVERKLUCODLDQA-CPNJWEJPSA-N	500.904	6.882	50	40	KKGB	
O=C(CCC/C(CC(=O)c1ccc(Cl)cc1)=N/NC(=O)c1cc2ccccc2cc1O)Nc1cccc([N+](=O)[O-])c1	8655670	VPNAIQGDXKCXIY-GIBOGKFOSA-N	573.005	6.275	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCc1ccccc1Cl	8873204	DEJWDAZQJGHXRG-LGJNPRDNSA-N	503.780	5.219	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	20347784	CDNDUFMTOYFENL-RUZDIDTESA-N	519.026	5.948	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1	33572786	GZUKVOHJCNMDHX-OWJYGESUSA-N	508.430	6.367	50	40	KKGB	
Cc1ccc(S(=O)(=O)NCCC(=O)N/N=c2\cc(-c3ccccc3)c3cc4c(cc3o2)OC2(CCCCC2)CC4)cc1	60045096	AQPUMQNHSVOAOU-WIKZRCHHSA-N	585.726	5.737	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1	97962917	MNBBGUKBGCWFLF-UZWMFBFFSA-N	550.721	6.146	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O	97965792	DTVQVNOLTXRJDT-TXNBCWFRSA-N	549.002	5.154	50	40	KKGB	
CCc1cccc(CC)c1-n1c(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)nnc1-c1ccc(OC)cc1	97980902	UJLIRUVLROLTMQ-ZSNJKBEMSA-N	627.214	7.371	50	40	KKGB	
Cc1cc(P(=Nc2ccccc2[N+](=O)[O-])(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Br)cc1	97984858	GFRXGGYCEBBHFB-UHFFFAOYSA-N	570.427	7.574	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@H]1c1ccc(O)c(OC)c1	98000100	CRRGROXDEQQSKW-SSEXGKCCSA-N	567.667	5.924	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	100127118	UMSOZLFPKUSKLT-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1	101178635	BRKSDBDBQJQZGM-SSXUBFHHSA-N	542.842	5.438	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1	101384209	WJGQGANZUKFLTF-MNBJERMJSA-N	552.531	7.171	50	40	KKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1	101405507	LKVWUEWNSMYWMW-ZXVVBBHZSA-N	551.668	6.537	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	101814670	JXACIRPRXDZUHF-ZMOGYAJESA-N	529.303	5.220	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(NC(C)=O)cc3)N=C3CCCC(O)=C32)cc1	102615669	CEEDGFPEUNZINX-SANMLTNESA-N	516.623	5.685	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1Cl	102933150	OQNQFUOUBFAKOI-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2SSc2ccccc2NC(=O)c2ccc(OC)c(OC)c2)cc1OC	103600056	JPFPZGMEOHCPGX-UHFFFAOYSA-N	576.696	7.025	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1Cl	103789626	WTPJBXYWCVIKEF-PXLXIMEGSA-N	566.883	5.946	50	40	KKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)N(C)N(C)C(=O)CCCCCCC/C=C/CCCCCCCC	104046400	MZXOXFMGHYPCII-OLAQIDGISA-N	589.006	11.893	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	150385707	LRXHGXPGFXRIOX-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Br)cc1	150422834	JNAYOICNUBNAEE-WOJGMQOQSA-N	637.699	7.230	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C/c1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1	150495357	FAYWBJLFPJTDJH-YXTVXKGXSA-N	736.876	5.147	50	40	KKGB	
COc1cc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c2)C=3C#N)ccc1OCc1ccc(Cl)c(Cl)c1	150576721	FEPWBUIYLDFTKP-VSNVHFBESA-N	792.528	7.650	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	245232338	SQGCIXUYPNCNFP-RSEYPYQYSA-N	561.041	5.189	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)cc2)ccc1OCc1ccccc1	408540171	OBOONOXISZTPNQ-KMUKQRDJSA-N	548.561	7.026	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC)c(C#N)c1C	408546038	DBNNRZJAPLNOAV-MKMNVTDBSA-N	566.271	5.747	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408550969	LCUVSZWLXPXLMT-QRVIBDJDSA-N	500.957	7.113	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OCc1ccc(Cl)cc1	408566252	FJVJKGPNKCEJJG-NHDPSOOVSA-N	540.788	6.858	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1	408567895	GRRMDCHIHWBHCC-CCVNUDIWSA-N	669.404	6.640	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(Br)cc1	408570316	UAMZTYVZWGYXHV-MFOYZWKCSA-N	618.244	7.111	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(Cl)c1OCc1ccccc1Cl	408605997	KQYXDEAWDAFQST-MRXNPFEDSA-N	534.827	5.731	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408649641	YSALTKXERQTFRF-VCTPWBKUSA-N	772.938	8.331	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408668744	DZXUFPZEBYQZIJ-FPCVCCKLSA-N	554.666	5.327	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1cccs1	408722084	DEOOABLTRCLDEM-XQJPNMLHSA-N	538.028	5.368	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1	408725160	HYZWSXVDKJXHMW-UNOMPAQXSA-N	588.829	6.477	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1ccc(OCc2ccccc2Cl)cc1	408725806	IDTOPNNWPGRSCI-DXJNIWACSA-N	548.064	5.649	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1	408742866	CGYNSXFPZLBDRO-JAIQZWGSSA-N	628.264	6.449	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)cc1	408743252	FJHUOYWIRXULPA-WQRHYEAKSA-N	529.793	6.765	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I	408757939	DVYQWBRHTFYQPZ-MLPAPPSSSA-N	634.062	5.304	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(I)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408772630	DSFFWVZOZPRQCX-OVVQPSECSA-N	623.538	5.148	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3c(Br)cc(Br)c4cccnc34)c2C)cc1	408781982	UXFQQBSFSGBOOT-AQLQTECXSA-N	628.321	5.873	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408789330	OTPWKNYDNVVNEU-RQZCQDPDSA-N	532.740	6.208	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408790132	NXNSVXNTRLOJIM-CXUHLZMHSA-N	675.091	7.327	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408793541	PJVGQXVGWNRPHS-RCCKNPSSSA-N	536.369	5.981	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc(F)c3)cc2Br)cc1	408794240	RPGXLMKUUDUSMQ-UDWIEESQSA-N	509.375	6.284	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc2ccccc2c1	408794471	IOSZCNSMEAOUIC-YDZHTSKRSA-N	527.964	6.925	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408815573	JUTXGYAJZVCCBV-XLNRJJMWSA-N	538.648	6.972	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1Cl	408820347	XAGFRTUDANOGMO-KBKYJPHKSA-N	510.761	5.689	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1cccc2ccccc12	408821407	HAFHXWIYTWMHIL-NDZAJKAJSA-N	694.569	8.855	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408823094	DOMFJFYFHRSZLS-KOEQRZSOSA-N	613.928	9.504	50	40	KKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1Br	408823637	FONCZJCNGRKXEG-DEDYPNTBSA-N	570.281	7.123	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)c(OC)cc1Cl	408835541	NRIMCOGSVBFSMA-HYARGMPZSA-N	512.993	6.944	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408836917	WYOPBLBLBLMNDF-YDZHTSKRSA-N	695.897	7.565	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	408837559	IRVZQLFDTWMTRL-HNSNBQBZSA-N	592.117	5.890	50	40	KKGB	
COc1cc(C)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1C(C)C	408838923	KHIKSYFIYGNZRE-FJEPWZHXSA-N	519.070	7.411	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408846083	OQEFARNROJUZPM-QDTIIGTASA-N	600.210	6.014	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408858712	LBPGDULAEPHTCE-QNVXDBMFSA-N	770.327	7.760	50	40	KKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c1C	408858827	SZXUEPRZDASPIK-WKIKZPBSSA-N	547.291	6.019	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1Cc1cc(C)cc(C)c1	408866698	IAIQGXFFTCGGGH-WSDLNYQXSA-N	536.413	6.362	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(OCC)c1OCc1ccc(Cl)cc1	408870002	UUZXSZNRBGIWAE-MFKUBSTISA-N	547.051	6.287	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Br)C(=O)Nc1ccc(OCc2ccccc2)cc1	408871664	ZOWDMUOMSVKQBL-KOEQRZSOSA-N	602.326	7.927	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)c(OC)c1	408871895	ZCVHNXVQPVUCLS-ZVBGSRNCSA-N	611.290	5.903	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OCc1ccc(C)cc1	408882217	QLNYPQWGJHFZRC-YBFXNURJSA-N	558.803	6.386	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408882382	OXEUFWDEMVMULW-FMFFXOCNSA-N	530.665	6.298	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408882610	PKZTXASCADJKBL-WOJGMQOQSA-N	668.791	7.194	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccc(F)cc1	408885340	ZPXCASSBJWKWJO-IURWMYGYSA-N	605.475	6.315	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408886169	IOLQEVITHBIAIZ-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1Br	408888469	VSJAHDMTXXBNBF-XDHOZWIPSA-N	511.803	6.626	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408890304	RCOUBQPWIGGDKX-GZTJUZNOSA-N	608.841	5.657	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	408894398	HVHSHMQSWYSSCQ-LFIBNONCSA-N	546.204	6.529	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccc(F)cc1	408923408	IIVOASKRXZNSJQ-LICLKQGHSA-N	564.238	7.418	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408964419	RLBYRPVLMDVOBL-MHDJOFBISA-N	509.503	6.595	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408993586	WITFNTMWCMNLDP-AWSZGFQOSA-N	562.629	5.505	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1	409001280	HMLYCCPZFOWBLF-VTNSRFBWSA-N	546.410	6.537	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCC(=O)O	409019882	KRMTUMBPOZXWIQ-KTZMUZOWSA-N	666.060	5.188	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccccc1C#N	409042446	KVVZZYBUQXAWRL-KMUKQRDJSA-N	638.465	6.730	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)c1ccccc1	409050611	XUARAGVCRPNYPJ-VCHYOVAHSA-N	503.621	7.508	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1)S(C)(=O)=O	409112987	DASCZROATOJZTP-FDAWAROLSA-N	549.096	5.786	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409131398	IIXKKWQEZPAUAB-SANMLTNESA-N	696.413	6.958	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409134080	OQKGMTCOXWMXGJ-UXHLAJHPSA-N	556.084	5.266	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(Br)cc2)cc1	409142982	SNZQJCPEIPJYCT-IPPBACCNSA-N	568.415	5.118	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409160911	KHPLZLCXURVGFO-KKMKTNMSSA-N	709.547	6.584	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F	409162791	HUSBPDFOSLKIMB-MPRHAZATSA-N	662.246	5.890	50	40	KKGB	
CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)COc3ccc4c(c3)CCCC4)C(C)C)o2)c1	409172877	GIKBCVSYLXHZEQ-ASVJPGMHSA-N	559.663	5.061	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)cc2c1	409187684	TUXXZVBPGIXMDM-YNFMAFFXSA-N	547.822	7.143	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409217201	OABLNQSONRVEQR-LUOAPIJWSA-N	558.712	7.231	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1cccc2ccccc12	409233649	GZRYDOACLDEHED-IPPBACCNSA-N	612.493	5.681	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409241887	PCHWDQKAWRRJSH-MTJSOVHGSA-N	621.302	6.842	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409253198	FCSHBPFVOSKFMC-YBFXNURJSA-N	554.430	6.272	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccc(Cl)cc1	409260215	MQTHPGJCZZEICC-NKHVPTTDSA-N	739.877	8.514	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1OC	409319528	HSFFNTQQYIRIQG-MBTHVWNTSA-N	513.363	5.505	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1OC	409323481	OHDJYXWLMZPHBO-VYYCAZPPSA-N	501.352	5.338	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1OC	409323516	PPIKWBFSUXRJCZ-PPDIBHTLSA-N	566.221	5.711	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1OCC	409327163	QLWBCVZJMABDDH-QRQIAZFYSA-N	573.465	5.253	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cc(Br)ccc1O	409368648	GDPSDPOFKLHEIS-BCHBDCPOSA-N	650.176	5.565	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1ccccc1F	409372098	RSZYSKVQRCSDHT-MTJSOVHGSA-N	631.226	7.831	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1ccc(Br)cc1	409372709	HFBOLQJKXBFPDS-WCMJOSRZSA-N	659.318	6.957	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409387301	PPHZCNDCBSYRSI-KBVAKVRCSA-N	532.438	6.142	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409395990	UWRDQNPSUGLGPY-UHFFFAOYSA-N	687.304	7.123	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409396258	XJECLODMBWSVFU-UHFFFAOYSA-N	659.726	8.680	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409396388	YBWOUNFWULOULD-UHFFFAOYSA-N	708.306	6.914	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397357	IYXQJPRWEOMSPX-UHFFFAOYSA-N	653.688	6.260	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409398306	SLESRMRPBHOVOK-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)cc1OCC	409398879	WAOIZTUGCBZBCL-UHFFFAOYSA-N	577.637	6.624	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)o2)cc1	409400443	DEFBCTSFPIPQPW-HQDYHJHZSA-N	582.588	6.656	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc5c(c4)OCO5)c(Br)c3)o2)cc1	409400843	FRXSXVNIIJDSSS-QMRORBIVSA-N	642.506	7.100	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c3C)o2)cc1	409402032	IXQRKDKJNCUIAX-PQKVGRGHSA-N	657.727	7.925	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(C)cc1	409404210	PJABXLQTMJFBSB-BIKKEBSBSA-N	603.719	7.655	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OC	409406050	VWBCUYOXIYIIQQ-UHBFCERESA-N	613.452	6.042	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)Nc1ccccc1C	409407010	YMSAZEHULPHLPL-PQKVGRGHSA-N	646.744	7.093	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1cccc(Cl)c1Cl	1813795	FRPYSEGNSZWIAS-UVHMKAGCSA-N	522.889	6.653	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	2220150	NWZXNPDZHWZTRK-RUZDIDTESA-N	535.069	5.735	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(C(C)(C)C)cc1	2697621	HWVVEKABTZAGLE-DHRITJCHSA-N	501.012	5.067	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1Cl	3143638	GAMCDVMEYNIKJZ-FMDHHVHLSA-N	525.004	6.024	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Br)cc1	3236789	FCEWTMLZJKEGGF-UDWIEESQSA-N	521.367	5.671	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1	6177842	WROJJZYNSDNYAJ-UXHLAJHPSA-N	535.069	5.089	50	40	KKGB	
CCCCCCCC[C@@H](I)[C@H](I)CCCCCCCC(=O)OCC	8214408	OSUWTUZVEDSJAZ-RTBURBONSA-N	564.330	7.638	50	40	KKGB	in-man
COC(=O)c1ccccc1[C@H](Br)C[C@@H](OC(C)=O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1	77270474	HSBFIKUWWYDDPH-DVCPEZMXSA-N	578.890	7.976	50	40	KKGB	in-vitro
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	98048667	QOUBWZZRARWNHT-VWLOTQADSA-N	587.023	6.967	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)c(C)c1	100097892	ZYFRSZLAGFFNDW-XFAFFCHDSA-N	606.091	6.562	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122385	CELAKXUPOQXJLO-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl	100124476	CABFBUCGNGDASA-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
COc1ccccc1NC(=O)[C@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C	100848620	NZJGUASGNASYCH-DQYPLSBCSA-N	510.064	5.320	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1c2ccccc2cc2ccccc12	100853356	OUCBYNONCJWXOY-DPNNOFEESA-N	593.510	6.641	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	101757194	VUCNCEDGZMCUQQ-OHUYPAJKSA-N	619.313	6.048	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)cc1C	103844273	TVUFDFURCXUKFV-KKMKTNMSSA-N	532.280	5.798	50	40	KKGB	
O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)OP(c2ccccc2)(c2ccccc2)(c2ccccc2)[C@H]1c1ccccc1	104133509	VIRUMEGOLXUPNB-LUIYHIRUSA-N	576.676	8.443	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl	104898974	FSSYBMLIZVNAHV-PNQUVVCRSA-N	540.325	5.689	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1	150408851	KEPWSFRHPXPUEO-PLXFJCCSSA-N	626.509	6.907	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	164319827	OCSYNPIRFDMATP-NHDPSOOVSA-N	623.301	6.236	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795450	GUDGRLFCQFVPHN-CALCHBBNSA-N	1028.320	14.652	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553090	XAYMTFAWFXCQGL-WOJGMQOQSA-N	644.332	6.990	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408579339	FWVLGEKVZJNMDI-VCHYOVAHSA-N	571.327	6.671	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408607132	NAQDQNYOTGNKGZ-HXUWFJFHSA-N	542.463	6.030	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408649197	KUYAASFHSKPNCM-PSTXRTPPSA-N	709.621	6.148	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408676199	GXIJSFCDODPWCT-OCSSWDANSA-N	556.888	6.444	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(Br)c(Cl)c1	408689324	RXHNGDWDLNSUHT-LTDCPUDJSA-N	588.669	5.012	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(Cl)cc1	408724971	HYJHNSKHBXNCQA-WQRHYEAKSA-N	574.802	6.174	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OC(=O)c1sc2ccccc2c1Cl	408733734	PIZOWSBDXVSSFI-CCVNUDIWSA-N	513.402	6.590	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)ccc1OCc1ccc(F)cc1	408741233	OOMRUNKMHJBKMO-WCMJOSRZSA-N	505.977	6.238	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2-c2ccccc2)cc1	408741710	KRVSQEIIYPNVAH-XAYXJRQQSA-N	509.609	7.756	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408742296	VWVZYPRJSQSUEX-VWJSQJICSA-N	556.877	7.406	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc2ccccc2c1	408745068	PDBALSQNNNGMHG-OYKKKHCWSA-N	574.418	6.886	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)c1	408746609	TULNHJPWBJAEDI-UNOMPAQXSA-N	603.254	6.577	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)ccc1I	408747335	MKKZJWVNIRYXJX-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)ccc1I	408747353	MUCGOMMRGRHGGW-OKCVXOCRSA-N	559.407	6.220	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408747883	VFFUCBZRQBKEKK-NDENLUEZSA-N	552.255	8.034	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)C(C)C)cc1	408755366	NBDOOWKXVWVDMX-XWLBPBLVSA-N	608.558	5.943	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc([N+](=O)[O-])cc1	408763482	FSQLDAYVARUHCQ-CCVNUDIWSA-N	583.236	6.616	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408764816	VPDXTRVUZLKSBL-CIAFOILYSA-N	547.836	7.389	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2C)cc1	408765567	MHINFNAAUKSCRR-XQNSMLJCSA-N	618.568	7.536	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccccc1	408783344	NTBWTHICVGFYEM-UNOMPAQXSA-N	542.348	5.954	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)c1	408788460	KDSNDIQDFOWYJJ-VXLYETTFSA-N	621.700	7.449	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408790193	UYAZNYFDVAVJEH-KGENOOAVSA-N	566.395	5.989	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1cccc2ccccc12	408797354	RIFOXDGYOWZCEY-CIAFOILYSA-N	547.836	7.389	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)cc1	408797732	SZXKCJZTYYMSBG-SRZZPIQSSA-N	554.282	7.262	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccccc1F	408812182	CJEMRBMXRDCXBC-CHHVJCJISA-N	693.081	7.466	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)cc2)cc1	408827794	MTOMQEDCQIFXLN-PCLIKHOPSA-N	554.002	7.260	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)c1	408844776	FHCCVYHMUGZCBM-ATVHPVEESA-N	543.259	6.564	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2)c(I)c1)c1cc2cc(Br)ccc2o1	408846526	KFSHRMXLBLJKFY-ZMFRSBBQSA-N	575.200	6.143	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(Cl)cc2C)cc1	408868096	LJHOVBMWMSPZJQ-FABQOPTDSA-N	639.561	5.973	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	408868467	QEUCNBSFPZYFNL-PPOKSSTKSA-N	563.679	6.149	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	408870379	UXPBOLIQCUBGNR-PPOKSSTKSA-N	539.079	6.005	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408877617	WGORJLILOVEOMJ-SRZZPIQSSA-N	643.434	5.418	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408880328	JINWNLVCQSKSBW-RIYZIHGNSA-N	641.681	6.087	50	40	KKGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1cccc(I)c1	408883135	SYLZEHGUNKSFAL-LICLKQGHSA-N	512.278	5.195	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408885221	YKHUGFJHFNITJO-DPNNOFEESA-N	593.149	6.027	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1ccc(C)cc1	408887559	RPYYKPFJNMJDNE-XSFVSMFZSA-N	505.368	5.921	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(I)c1OCc1ccccc1Cl	408899725	QQABCEZTWIGMPU-VCHYOVAHSA-N	633.826	6.385	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2OC)cc1	408900376	VKALHORLACNUPB-WOJGMQOQSA-N	555.812	6.193	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408900913	ZATZOIPWYHGMQZ-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408908934	UASMVXXGLRSQAX-ZRGSRPPYSA-N	512.291	5.586	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(OCC)c1	408914745	XJTSUMFREZQNCL-BJNWWJADSA-N	539.632	5.625	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2Br)cc1	408921809	CDQUNWSXLMSAKC-LFIBNONCSA-N	609.285	6.028	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	408924955	PTAWISHUNLIGAZ-JJIBRWJFSA-N	529.552	7.034	50	40	KKGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408926840	YTWHXBMUPAUUJT-OQLLNIDSSA-N	516.724	6.320	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1	408942072	FLDZMMNFBOKXMQ-NDEPHWFRSA-N	807.461	5.246	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	408943540	HTXBICPEBLFWMA-JGCGQSQUSA-N	677.610	6.611	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	408945191	KLMNMDICXGJKRM-VWLOTQADSA-N	587.485	5.138	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1cccc(C(=O)O)c1	408955344	UFFVPCIDALEVGI-QRVIBDJDSA-N	635.458	5.714	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cccc(C(F)(F)F)c1	408962047	FZNJXPLEYLVCCD-WXMAUWIXSA-N	719.066	7.564	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cccc(C(F)(F)F)c1	408962882	KXJAFBYFPVZNQP-IPBVOBEMSA-N	601.173	6.482	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408969472	OCTNIYMTIGTTQW-RYDQESHSSA-N	585.326	5.769	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)C(c2ccccc2)c2ccccc2)cc1	408975251	LGOXEHQMYIXQQY-QNKGDIEWSA-N	535.600	5.163	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408985954	LERPKKDQLBJTMY-IDUWFGFVSA-N	580.693	7.851	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc(OC)c1OC	408999292	UNYCARBAAAQLTL-OEDHSSGKSA-N	579.609	5.347	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409005148	CSJPIKNGKMTQGO-ADJDCTSUSA-N	734.445	6.863	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)Oc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	409007636	YMPYDRZVIOJAKM-LZXVHXDBSA-N	614.408	5.959	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)ccc1OCC(=O)Nc1ccccc1C	409012830	LFJVRLCFMFHMKV-LPEPFOFCSA-N	656.331	5.623	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	409017106	VCDIOZOSUOVPLO-AABVJFSESA-N	693.339	7.422	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(I)cc1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1	409018464	MFUMDATVWNZYBF-ULPWCQAASA-N	681.655	6.510	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409041809	JXPKLLIKGTXPBH-MWBNBJEGSA-N	662.009	8.711	50	40	KKGB	
C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409044840	DQUTUHSEEJIBNV-NTUHNPAUSA-N	528.122	5.788	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1	409049388	WMHSCTCUNCPPPW-CXUHLZMHSA-N	555.361	6.634	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl	409159730	WTKVLUHJQJSJKB-KVSWJAHQSA-N	533.799	5.062	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409163296	PBNLKITUBIADJF-ROPCREHHSA-N	585.488	5.218	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1ccccc1C(F)(F)F	409164436	IKXZEDXROJYRSW-ZHSUKTGHSA-N	682.437	5.432	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)c2ccc(C)cc2)cc1Br	409186137	XIVZTGVIWOVYMR-PPOKSSTKSA-N	649.567	5.754	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OCc1cccc2ccccc12	409257489	RSAKHJXBROWVNQ-IBBHUPRXSA-N	644.307	6.357	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2C)cc1	409260062	KDXFDLFGXWGXTO-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409264885	MOMBALJODUGAFF-PPDIBHTLSA-N	595.675	5.655	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2cc(C)ccc2C)cc1	409265083	MOKBGOGQOOXOKW-UDWIEESQSA-N	627.333	6.790	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(C)c(C)c5)c(Br)c4)cc3)cs2)cc1	409268048	YZIIFYAYZRODGQ-VHFSBPNMSA-N	668.617	8.023	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1	409272485	QOYAKYHZEHXDBD-NDENLUEZSA-N	564.436	5.646	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)CC(=O)N1	409303643	NZWCFTSRPZGOHS-IBGZPJMESA-N	514.445	5.039	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OC	409320798	FFWWCZURMUUXLU-FXMZOFOKSA-N	617.121	6.879	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OC	409327557	VAJXYGBQSSJJPZ-LQNQUEJISA-N	631.467	5.269	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1	409359211	ADRVLSQVNPTOEW-CCVNUDIWSA-N	516.823	5.642	50	40	KKGB	
CSc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409372822	NWMMJWUABVPSBT-MBTHVWNTSA-N	530.115	5.328	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc2ccccc2c1	409373794	VZOXQYYPNVNUKN-LQNQUEJISA-N	609.420	6.023	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)[nH]c12	409394679	DNMPLEHEUAALAE-UHFFFAOYSA-N	612.480	6.906	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396356	NGKAMMSOKVUTQR-UHFFFAOYSA-N	651.075	6.676	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409396421	YGDVFKYRKKLMLA-UHFFFAOYSA-N	703.284	8.501	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409398273	SCTZKNUCIDSYOF-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccccc1Cl	409398691	FWZMBBAQELXGKX-UHFFFAOYSA-N	584.072	7.271	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OC(C)(C)C	409401598	HQSPAIBHSVPYMU-OHUYPAJKSA-N	564.082	7.259	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)OC(C)C	409403015	YDSAOTJLWXPXGL-BJUCDSOZSA-N	594.064	6.022	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCC(=O)N4CCOCC4)c(I)c3)o2)cc1	409406898	XXSIMJOEWXIIKF-DLCNMLRHSA-N	808.411	5.477	50	40	KKGB	
C[C@](Br)([C@H](Br)C(=O)OC(=O)[C@@H](Br)[C@](C)(Br)C(F)(F)F)C(F)(F)F	885164245	ZELPMBBZBYPHTK-FLMVNYLGSA-N	609.775	5.015	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	1529546312	FASFAWBRQOHUDN-DMFIQNIRSA-N	657.576	5.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	1529546315	FASFAWBRQOHUDN-MWKDUONYSA-N	657.576	5.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2cccc(Cl)c2)c2ccccc12	1529548245	BNUNRKAWUSABKS-KCSCOJLBSA-N	630.170	5.536	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(OCC)c1	1529548568	JDVOAVZHOIKVST-FWUIRIOGSA-N	725.618	5.041	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1	1529549054	SGZQAHRWKAFFEU-CKRMDNAKSA-N	657.576	5.466	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccccc1	1531386379	IIICCOUZFPPFDG-OJYCWLPVSA-N	592.652	6.056	50	40	KKGB	
CC(C)(C)[C@@H]1COC(c2ccccc2P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=N1	2382215944	BWFJKDQRRFAXAO-QHCPKHFHSA-N	659.451	8.712	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	1790744	OJTGEGNVYLBXBS-JSIHEXFSSA-N	583.851	6.076	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(Br)c1OCc1ccc(C)cc1	2143419	FHCZFQVAUWBYIF-SANMLTNESA-N	527.418	6.717	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)ccc1OCc1ccc(Cl)cc1	2691335	ZJFVUWGIRSUMNR-LJAQVGFWSA-N	554.046	6.054	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1c(O)ccc2ccccc12	2706521	FOJIYYFPTXDQNC-MUFRIFMGSA-N	558.461	5.798	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	3232253	XIDFGKOKAOTFJW-SXGWCWSVSA-N	570.192	7.899	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OC)cc(Br)c1OCc1cccc(C)c1	3255497	RXYXUMUMNYLPDG-FYJGNVAPSA-N	549.421	6.068	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	4081824	XJJGRIHXJYNNDD-JLPGSUDCSA-N	546.023	5.272	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(/C=N/NC(=O)c2cccc(Br)c2)c1O)c1cccc(Br)c1	8399423	OWDCDDGPTWATNQ-LYXAAFRTSA-N	578.648	5.098	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)c1	8425354	LFCGRZVNJLBFCQ-LVTPPWGZSA-N	516.406	7.195	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)c1	8426163	QPWNCYHOIVAURW-XZCYHHARSA-N	516.406	7.195	50	40	KKGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cc2cc(Br)cc(Br)c2o1	15231341	RJKKVXRVEIUTFD-WYMPLXKRSA-N	505.210	5.630	50	40	KKGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1C	20243722	LCFXMFZHZVKMEM-KBKYJPHKSA-N	509.231	6.001	50	40	KKGB	
Cc1ccc(/C=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	32577037	MRJDGNURFAUBOL-MBTHVWNTSA-N	502.665	5.185	50	40	KKGB	
CCN(CC)c1ccc(/C=C2/CCC(/C=N/NC(=O)C34CC5CC(CC(C5)C3)C4)=C2N2CCOCC2)cc1	33676187	YPKSXDINKYNPFS-NYMCQGMMSA-N	516.730	5.615	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2Cl)cc1	59104712	JRSZARIAMKNXRO-HMAPJEAMSA-N	512.997	5.413	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	59116984	FGOBKRWXSJYHJL-WQRHYEAKSA-N	501.797	7.170	50	40	KKGB	
CCCCCCCCCSC1=C(C#N)[C@@H](c2ccc(OCCCC)cc2)C2=C(CC(C)(C)CC2=O)N1	73417484	PNCZCNCQEQECEA-MUUNZHRXSA-N	508.772	8.414	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)o2)cc1	97959644	GFRJDSVOUIJIDA-HKOYGPOVSA-N	569.639	6.087	50	40	KKGB	
COCc1cc(C)nc2sc(C(=O)N(c3ccccc3)c3ccccc3)c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c12	98005102	WOSSIACYCUJSQZ-UHFFFAOYSA-N	663.783	9.539	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1)S(=O)(=O)c1ccccc1	100119610	VRIPXJMWTVVKNV-SEBMTOOBSA-N	625.194	7.524	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126462	MIYJYZBZELTJLU-KBVAKVRCSA-N	597.510	5.650	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100147126	WDECTFOTZHSNCO-YKQZZPSBSA-N	535.069	5.089	50	40	KKGB	
COc1cc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc(OC)c1OC	100318020	ORBOIVCIMFBKGV-PPOKSSTKSA-N	593.709	6.260	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cccc(Cl)c1)[C@@H]2Br	100848628	VSGWWOPDSKISBH-RLCCDNCMSA-N	514.483	5.964	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)N(c1ccccc1)c1ccccc1)=C(C#N)[C@@H]2c1ccc(Cl)cc1	102704828	WKIJICKKNNKFHM-LJAQVGFWSA-N	554.115	7.503	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(C)cc1	103755032	MFDDVENUPOMRAJ-UUYOSTAYSA-N	552.412	6.350	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(SC)cc2)cc1	103895975	WBJIOOVIZDJNBO-MUFRIFMGSA-N	551.612	5.172	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=C2CCCCCCC2)cc1)S(=O)(=O)c1ccccc1	104707980	MRTODDIQIUAWET-UHFFFAOYSA-N	538.113	6.874	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc(Br)c1OCc1ccccc1Cl	105793413	BBJJBZXTUBFCIF-XAZZYMPDSA-N	578.850	5.954	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Cc3sc(C(=O)OCC)c(C)c3C(=O)OCC)c2C)cc1	109721197	BBEIKAZIIJYFHU-HZHRSRAPSA-N	576.671	5.713	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)[C@@H](c3cccc(Cl)c3Cl)C3=C(CCCC3=O)N2)cc1	137175274	FYPREFCKKCHOPO-AREMUKBSSA-N	553.555	8.116	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538523	OEWPJNUOKABHIR-YZSQISJMSA-N	550.611	6.503	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c(C#N)c1C	408547444	WYARMIDBZHVURV-ODLFYWEKSA-N	531.615	6.192	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1O[C@H](C)CC	408552155	HRIPARYIANQNCD-ZXMBATIKSA-N	528.472	6.383	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(I)cc1	408554236	QXVUOQYUYDOFLS-YBFXNURJSA-N	735.385	7.231	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	408581783	ZIKPHHUZPLNJCM-XDHOZWIPSA-N	556.254	6.692	50	40	KKGB	
O=C(NNc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408601848	BXGRLBKWHBUQFL-INIZCTEOSA-N	549.252	5.831	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O	408638382	CJVTVLOQUVXNTB-ICASLIHPSA-N	592.306	5.938	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408646884	JBDMFFHYXPQUIC-GHMQEZDJSA-N	759.791	5.485	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc23)cc1)NNC(=O)c1ccccc1Cl	408669078	WELWLAFOKWNQMS-UHFFFAOYSA-N	560.006	5.399	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1	408718333	SNDWCZSNBNZIBU-LGJNPRDNSA-N	514.763	5.044	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1cccc(Br)c1	408723352	SFHCRUJOGJLSCI-HBKHLPLRSA-N	610.895	6.069	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408727473	ZFPTXFJVQFMZGY-WQRHYEAKSA-N	589.227	6.187	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccccc1	408741862	LQBNMJQVAVULRE-ZDLGFXPLSA-N	556.210	6.034	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(I)cc1	408742946	CUOCCPRDIYOBEZ-ODLFYWEKSA-N	558.803	6.386	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408745229	QKULAIDEAHWETP-BOPFTXTBSA-N	557.198	6.244	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)ccc1I	408747926	VUPYJBFAOMDEMZ-IPPBACCNSA-N	611.396	5.567	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccccc1Cl	408759729	KLELUKMDSOBNHF-MFOYZWKCSA-N	532.221	6.889	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Br)c1	408766765	ROUMQSHDZZLIHL-PXNMLYILSA-N	625.542	7.752	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408798654	WKJSRZZVVWQKCU-KEBDBYFISA-N	583.382	5.950	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408802260	YSOVWYHNEQUEAJ-UQRQXUALSA-N	560.653	8.697	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1	408806748	BORXYVGRBVWKCM-CJLVFECKSA-N	545.422	7.448	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408812365	MTRHOJJRLQLZIN-KYHGBAKBSA-N	733.344	6.368	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)cc1	408827451	HLYYUTSMFMQAKO-XCOOOMCFSA-N	574.102	6.417	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408828071	NGHIXTZVTDQQEN-YDZHTSKRSA-N	686.817	9.512	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)cc1	408836875	WMHNFZOWKDMTGA-QJOMJCCJSA-N	590.499	6.287	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408837148	ZGONJGPQJVGUCQ-JOXMEQDKSA-N	774.148	7.281	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1	408839323	QQLBXCSLQUBKQU-AABVJFSESA-N	691.947	7.769	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Cl)cc5)c(I)c4)cc3)cs2)cc1	408848312	VSNFXWMZMVNFSU-KVAAJVFYSA-N	678.983	8.463	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408848469	QQUPDZMLPAEFLJ-KYHGBAKBSA-N	639.344	6.684	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	408858656	JYGCFVKHAITLBG-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(Br)cc2)cc1	408859191	MSYPAESOXFZZEV-KBVAKVRCSA-N	597.510	5.650	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1Cc1ccccc1F	408876614	PJOAQYPGAFVECM-WOJGMQOQSA-N	558.245	6.886	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	408880059	IPPQLLHVASOREO-LDADJPATSA-N	516.497	5.336	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1ccccc1Br	408888707	ZKANPKIWEPMMHU-FYJGNVAPSA-N	584.308	7.297	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(=O)c1ccc(OC)cc1	408889321	CKJHMCQQGWINHZ-LZYBPNLTSA-N	635.254	6.836	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1F	408889637	IETMPGYQMAOWCK-LUOAPIJWSA-N	526.189	6.247	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1ccccc1Cl	408889926	LBTZPLJNDOQVIC-VCHYOVAHSA-N	586.826	6.543	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c1OCc1ccccc1	408895628	NSRCHYGZJIPHAV-CPNJWEJPSA-N	510.331	5.424	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OS(=O)(=O)c2ccc(C)cc2)c1	408900136	SWROPSXGLGVAQY-XIEYBQDHSA-N	554.624	5.896	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408900330	VEFIVWOOABATFA-VIZOYTHASA-N	626.088	7.551	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2Cl)c(OCC)c1	408938842	AJHFLVLVKYIWMA-GDLZYMKVSA-N	763.054	5.807	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccccc1Cl	408967816	SHDOBDPGKBQRTM-KVSWJAHQSA-N	563.754	5.307	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C)c1ccccc1	408976684	BSSYPXRYFBAJGJ-ICSRMJQJSA-N	517.655	5.234	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c2ccccc2)cc1	408979573	MWJWGLPZJYYFAQ-KWAQJPELSA-N	606.542	5.897	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccc(C(=O)O)cc1	408992524	TWRHQYNXXIHKIS-OEAKJJBVSA-N	516.981	6.208	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c2ccccc2)cc1	409003644	TYUROEIAENVNMW-RVGYRORASA-N	619.574	6.865	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cccc(C)c1	409003713	UJVFSAFTGYTUIX-JEPNHJGPSA-N	611.651	5.655	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409007045	MMDDXAMAMLBSJZ-NDENLUEZSA-N	657.359	6.799	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1ccc2ccccc2c1	409018542	MUGIUWGIONMQAC-ZMGVVAQMSA-N	624.862	7.586	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OS(=O)(=O)c1ccccc1	409076150	YQTFARIPHNNCGU-HMMYKYKNSA-N	508.983	5.390	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(OC)c(OCc2ccccc2F)cc1Br	409077077	CTNVSZNMLGODLJ-WQRHYEAKSA-N	511.347	5.730	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	409119203	RYRCYNBOHUXWLR-FABQOPTDSA-N	738.431	6.921	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)Cc2ccc(Cl)cc2Cl)cc1	409119900	UUFHCKKORHZBMN-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(C)cc1	409135079	PQKQPYHYMUFXOJ-XMMPIXPASA-N	509.400	5.550	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cccc2ccccc12	409178450	JRZBOJOZCMYTCA-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)NC1CCCC1	409192247	AECHGIOWFOCPOW-BOPFTXTBSA-N	551.222	5.598	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12	409199483	DAQLERCPHLLZOS-WKULSOCRSA-N	504.995	6.013	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1F	409211380	IXHHYTNRGJYEOX-XODNFHPESA-N	598.865	6.304	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409219039	IIWSFGDAIYGTSG-XELUOBABSA-N	568.973	5.883	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4cc(Cl)ccc4C)C(=O)[C@@H]23)c1	409219382	MGXAQZATZCWPCD-MDBGQWPFSA-N	576.052	5.624	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c2)cc1	409220235	ZULMFRQEMYCBIN-UHFFFAOYSA-N	720.201	7.762	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)c1ccc(Cl)cc1	409227279	UUQCVANTIVPZBM-HBWYRQAISA-N	546.026	5.302	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409259472	ZUONTTOTJGRPTN-FDVSRXAVSA-N	585.442	5.397	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409260245	NGUUHYGSNALNPF-UNOMPAQXSA-N	612.864	5.851	50	40	KKGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)=C2C#N)cc1	409316113	LLIVSSMCDUOIAZ-HNNXBMFYSA-N	524.362	5.487	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409327550	UZOLLWCCPLSGMY-ACXHZZMFSA-N	572.445	5.747	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OCC)c1OCc1ccc(Br)cc1	409373714	TUIKIQZPVCNHBJ-RHANQZHGSA-N	552.425	5.756	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)n1	409382146	LJGFFSAFSIJSAJ-CAOOACKPSA-N	688.101	6.298	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc2c(c1)OCO2	409395533	OUNWFHWYHJXHMN-UHFFFAOYSA-N	730.196	8.379	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409396840	BUNLCAIDYFCZIK-UHFFFAOYSA-N	681.370	8.295	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)c(-c3ccccc3)c2c1	409397045	FNGGYAPKXIIZDD-UHFFFAOYSA-N	533.584	6.225	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397051	FPBACEPOIRKWRV-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)o2)cc1	409400717	FEZJFLVAJOXAHG-FDUMAKPYSA-N	657.381	9.223	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(Cl)cc1Cl	409403802	OCMQOYKHMXWQEY-RPHGGDOWSA-N	776.309	9.449	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1C	409406323	BTBNKOOIWYZCEL-OHUYPAJKSA-N	581.629	6.354	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)SC(N)=C(C#N)[C@@H]1c1ccccc1I	2056312	POUFCCDEEOOKOR-FQEVSTJZSA-N	588.496	5.309	50	40	KKGB	
O=C(c1ccccc1)[C@H](Br)[C@H](c1ccccc1)C1(Br)C(=O)c2ccccc2C1=O	2300388	XFAYQIBHWWWZRF-VQTJNVASSA-N	512.197	5.630	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1sc2ccccc2c1Cl	2310529	ZTSPQVWGTARKQU-CGOBSMCZSA-N	504.587	5.255	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1	2604569	QJTCTJZQDFFYLR-UVHMKAGCSA-N	557.857	5.053	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1	3112721	KDFOFMBIZQDCBA-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1c(Cl)cccc1Cl	6166468	NJKMJYLMUKMFER-DHFIIZIYSA-N	599.540	6.189	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@H]1c1cccs1	20028767	OLJUFCAWFYCWSI-QFIPXVFZSA-N	500.045	5.507	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OC(C)C)c(OC)c1	35147618	BKPKXXROZNWDIT-MOSHPQCFSA-N	520.607	5.942	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSCc3ccccc3Br)o2)cc1	58915669	RIZUZKSTSCDFSR-DHRITJCHSA-N	501.402	5.269	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)cc2)cc1	59473103	QCMVTKWGLCMENL-FDAWAROLSA-N	501.051	7.284	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3cccc(Br)c3)Nc3ccc(Cl)cc3[C@@H]2[C@@H]1Cl	97951141	KUAAYTYBXYXPSK-FPVDIDMMSA-N	550.305	8.049	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccccc1	97960773	SZGIKOQMVISULB-YVLHZVERSA-N	530.191	6.475	50	40	KKGB	
ClCCSC1=C(SCCCl)SC(=C2SC(SCCCl)=C(SCCCl)S2)S1	97984929	YSBIQQPJLNYJBC-UHFFFAOYSA-N	582.630	9.214	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])o2)cc1	98001484	RREZIAZTPLOQLM-PGGKNCGUSA-N	646.042	5.224	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C(C)C)cc2)N1	98048636	KGTMXNYEHLSLSZ-MHZLTWQESA-N	615.077	7.782	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1	100126615	DDJWOJWQUNVPGZ-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2F)ccc1OCc1cccc2ccccc12	100228379	JUGZIQGRKFCHSO-HYARGMPZSA-N	545.408	7.265	50	40	KKGB	
Cc1ccc(-c2nc(/C(C#N)=C/c3ccccc3F)sc2NC(=O)c2ccc(Br)cc2)cc1	101339568	LPQASYMZHYPPJQ-XSFVSMFZSA-N	518.411	7.337	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3C)=C(C)N2)sc2c1CCCC2	102760526	XTUQLTIMDJYNES-MHZLTWQESA-N	616.765	6.412	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccc(C)cc2)cc1Cl	103900689	UEVFAGACXLGRNM-KBVAKVRCSA-N	548.064	5.254	50	40	KKGB	
CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341336	XKUPFZOQGXPZPV-MRVPVSSYSA-N	808.195	11.066	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	150385854	PYXZHWJCOJUHHM-OHUYPAJKSA-N	662.437	6.547	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1	150386673	JDUJYKDXBBELOZ-MJXLXAJKSA-N	633.048	5.740	50	40	KKGB	
O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1	150451099	VIHGYINQPHPJAC-UHFFFAOYSA-N	671.943	5.462	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795263	ITRVJOXJQVPORW-WHFBIAKZSA-N	960.007	11.242	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(N4C(=O)[C@@H]5C[C@H](Br)[C@@H](Br)C[C@H]5C4=O)cc3)cc2)cc1	251467836	JHKJDVOEKAVXOC-XPGKHFPBSA-N	683.349	5.680	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1	252428269	WEHADPSLZUZOFO-RUZDIDTESA-N	691.655	8.005	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408532772	QYEGRDXYSXASDH-KNBZMSCYSA-N	724.215	5.964	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2OC)ccc1OCc1ccccc1	408538454	NCCNBDTXTQXGBE-KOKCXWAISA-N	686.628	8.210	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540320	PZJVHSJWMCLHHQ-BIKKEBSBSA-N	609.122	7.751	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408551074	ATQRQAGLERRFIK-GIJQJNRQSA-N	640.459	6.145	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408604404	IMDJRIWGOLASQK-LJQANCHMSA-N	528.436	5.694	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Br)cc1	408611773	SEJMUWTUSWFVFI-VFLNYLIXSA-N	550.331	5.144	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)O[C@@H](C(=O)c3ccccc3)[C@H](Br)c3cccc([N+](=O)[O-])c3)c2)c1	408671778	LEJFTVJDDDNHQZ-IXCJQBJRSA-N	587.426	6.700	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccc(Br)cc4)cc3)cc2-c2ccc3ccccc3c2)c1	408723945	AUQVCRSFFHUWFS-SEBMTOOBSA-N	615.531	8.106	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408744932	OCPCBHVUZQGTOM-BOPFTXTBSA-N	546.646	6.990	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c1	408745298	LFSBLIGVKOUESW-ZDLGFXPLSA-N	590.699	7.388	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)ccc1I	408747340	MOGHITIVWGXGNP-PPDIBHTLSA-N	629.676	6.067	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747370	MXONVVROHWPTQG-MFOYZWKCSA-N	729.106	6.481	50	40	KKGB	
CC1=CC(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1	408750490	NUKYKAMGFYVSBK-UTLJVSBWSA-N	528.652	6.664	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cccc(I)c1	408751584	ABVYWAYDBALISF-GXDHUFHOSA-N	519.136	5.859	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408764590	UWUMQZGNKMQIKK-PDGQHHTCSA-N	667.319	6.074	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	408778459	GDCMVJCTDWMWMH-JBASAIQMSA-N	521.683	5.427	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408783865	RUQVMWSUIFIKQP-BKUYFWCQSA-N	617.371	8.125	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408792017	GPJNMUQCWKODBZ-KEBDBYFISA-N	583.382	5.950	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1	408793484	FNCBFDWZVSGNAH-VCHYOVAHSA-N	652.124	7.249	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408793703	GEBXVEJDXHGGTC-OEAKJJBVSA-N	526.976	6.413	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1	408793772	GNBJVFODVRYRMF-DEDYPNTBSA-N	523.358	5.890	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(I)cc1	408796768	PWAOYSPPCNHADC-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2I)cc1	408799456	ZEZWLXIDLSRQOB-GIJQJNRQSA-N	618.225	6.395	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1	408802055	CLGKVBQQRLUILG-RGVLZGJSSA-N	569.839	6.412	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408812238	MHAMZXKBGCTJSB-JMIUGGIZSA-N	545.850	6.856	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc2)cc1	408826844	DHBBDUIMXLTVFI-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408830653	NYKXGQDARBBWNT-LQKURTRISA-N	534.465	5.436	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1c(C)ccc2ccccc12	408834690	WVRSYXPVYGVFID-TURZUDJPSA-N	589.091	8.514	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408845011	XMVXQBSMDKPSEV-VTNSRFBWSA-N	582.044	6.192	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1	408879613	FNEFJFALNBTJGI-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(I)c1	408879914	GATNYPFJAJEGPN-LZYBPNLTSA-N	672.542	7.594	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1c(Cl)cccc1Cl	408883246	SHTJNLXCGJOGFZ-MHWRWJLKSA-N	625.144	7.960	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	408886196	IUOISRRZGFEXCW-XSFVSMFZSA-N	545.820	7.329	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408886717	LNCBDYWMBLYFQD-JJKQSNDFSA-N	579.431	7.484	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c1OCc1ccc(Cl)c(Cl)c1	408889085	DMCJDUUXSUGODO-SFQUDFHCSA-N	579.221	6.731	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1ccc2ccccc2c1	408890521	VAQCZYDGINLZCR-IPPBACCNSA-N	528.233	7.252	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904245	GZVJGODMXXPRSE-ROTLSHHCSA-N	539.298	5.355	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408933306	AKWTVLNVNANXBA-QDTIIGTASA-N	540.345	5.124	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408998201	TYADQNAQYWHVTB-ORBVJSQLSA-N	712.991	7.475	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)ccc1OCc1ccc2c(c1)OCO2	409000897	ZWFARRQFWPFOIF-PNOYGBBQSA-N	727.577	5.038	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c2ccccc2)cc1	409004128	WQZFWRLMZJRZCE-RYBVODPGSA-N	640.547	5.567	50	40	KKGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Cl	409009312	DCLNZLRVTPUBCB-BPDROILWSA-N	575.628	6.395	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	409012859	IZVZDHQOZBUAIW-GNCSGRKDSA-N	678.569	6.345	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1	409063024	FROAOVJWBNYQLM-LDADJPATSA-N	531.815	5.094	50	40	KKGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1	409066101	HDQRTQWPSNWWLL-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409135188	XOARTIRCBQVSRZ-NRFANRHFSA-N	656.645	6.052	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc(Br)ccc1O	409144617	MBCVZUIBDWTUJM-NSKAYECMSA-N	617.519	6.676	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409153658	IKNUZFCNLIEOGH-PUHLOBNQSA-N	711.384	5.904	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)Nc1cccc(Br)c1	409186313	AEWWVOFNWSPSOK-YVLHZVERSA-N	591.097	7.099	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4cccc(C(=O)O)c4)cc3Br)cc2c1	409187057	LLWCFEFPBGOUPM-NUJZUDFISA-N	567.392	5.644	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccccc2Cl)cc1	409217987	GNGBVYCHVBELBS-MBTHVWNTSA-N	522.945	5.216	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12	409220073	UBASHHUJYNTSHW-GLSSPLDFSA-N	561.641	5.735	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409229156	KMTCPDQDTRXYOP-HSGPEQJXSA-N	560.275	7.128	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409237173	HYCIHQKXCPHSFF-JCMHNJIXSA-N	554.282	6.447	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409254122	HRRIPHIDMLBAGJ-NDENLUEZSA-N	538.431	6.572	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409259916	HPNRLPIEARSBSL-XKZIYDEJSA-N	562.464	6.336	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409266531	ZNVSLZOZGKALAT-FRKPEAEDSA-N	671.695	7.755	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C)cc2)ccc1OCc1ccccc1	409310456	VAQCHHJCYYPQPY-APTWKGOFSA-N	573.487	7.078	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3CC)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409310571	VVMFLFHUZMUNDS-FCHUYYIVSA-N	576.502	5.373	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409320988	GDYGUQQMNSZTPY-ACXHZZMFSA-N	618.912	6.080	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3Br)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409322733	MYSQYAJKBPFVRG-LEWJYISDSA-N	627.344	5.573	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OCc3ccccc3Cl)c2)ccc1OCc1ccccc1	409335819	YOYJAWAQCBGSCY-MNBJERMJSA-N	500.982	6.271	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1Cl	409364641	OGCNBPWXSKYYDR-WSVATBPTSA-N	594.232	7.369	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(I)cc4)c(Cl)c3)[nH]c2c1	409373366	HZOFXMALADDFNX-MFOYZWKCSA-N	560.222	7.426	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1	409384891	FPHDIJVILIHBPU-WKULSOCRSA-N	515.978	6.959	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)cc(OC)c1OC	409394471	AVEVGLDEYYVJPZ-UHFFFAOYSA-N	741.820	8.022	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397040	FLAYCJLPMPRWFL-UHFFFAOYSA-N	597.027	7.087	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)c1	409397737	NJDIYASRMQPKHF-UHFFFAOYSA-N	522.004	7.088	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409398009	QBHCIQJZSOZAAM-UHFFFAOYSA-N	618.473	7.151	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)o2)cc1	409403946	OSBBYKWYNKXKDB-APTWKGOFSA-N	564.598	6.517	50	40	KKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2-c2ccccc2)cc1	409406814	CWEIXUWWVHESPW-ORHMFCTNSA-N	688.784	8.941	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)o2)cc1	409407025	YOJNEWDAZFFXLM-KMUKQRDJSA-N	597.071	6.701	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1F	409407077	YTWDFPSKKGSHHC-UHFFFAOYSA-N	567.617	6.757	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1	1529548629	KHSZKRXXIAZNLI-UUTVKSQHSA-N	763.452	5.518	50	40	KKGB	
COc1ccc(OC)c(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1	1810779	XYHKUIWMPFDPNW-KAMYIIQDSA-N	510.369	5.673	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc3ccccc3c1)=C(C#N)[C@@H]2c1ccc(Cl)cc1	2311994	BSTFELQUPATYRI-MHZLTWQESA-N	528.077	6.930	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1Br	3088349	JBUQWNMKFNPZDW-MZJWZYIUSA-N	584.323	5.168	50	40	KKGB	
O=P(CCCCOc1ccccc1CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	3099855	VALAVLDZGNDNFV-UHFFFAOYSA-N	564.602	7.374	50	40	KKGB	biogenic
O=C1NNC(=O)c2ccccc2SSc2ccccc2C(=O)NNC(=O)c2ccccc2SSc2ccccc21	3993703	ZFFCQXUXSGUXST-UHFFFAOYSA-N	604.760	5.748	50	40	KKGB	in-vitro
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	8387067	NXRWWIODDATPCQ-MUFRIFMGSA-N	509.547	5.143	50	40	KKGB	
COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)c4ccc(Br)o4)c3)c3ccccc3n2)cc1OC	8456111	XXDJBIDHCGLVOO-MWBNBJEGSA-N	613.468	6.681	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	8812126	PLIXNSLLSMQCCN-LGJNPRDNSA-N	516.323	5.238	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	12250452	HNSCBUVDHBZUMA-MHZLTWQESA-N	512.635	5.911	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc2c(c1)Nc1ccccc1S2	12560618	BAEZFQSAHNALGD-FABQOPTDSA-N	521.045	7.917	50	40	KKGB	
O=C(N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)F	16525813	KUBSGZCKEIFBRK-VWDPFFEDSA-N	506.805	6.355	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21	18148750	UPWOCENEWAFXKE-ZXPTYKNPSA-N	504.373	5.593	50	40	KKGB	
O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	20246613	DRIXHHGDZZOKLV-VZJCZGBYSA-N	501.011	5.426	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59436953	VDDHHSPBOLGBPC-VUTHCHCSSA-N	507.656	5.253	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	59485125	VRBGNCIIFMBANN-NDENLUEZSA-N	515.778	6.986	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1cccc(I)c1	100063360	JSZHVSMGTUTMGF-WGOQTCKBSA-N	581.863	5.065	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1	100351238	MPHIECFGLHVEEF-QCFMCPCVSA-N	592.721	6.262	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc(OC)c1OC(C)=O	100858480	CWKVVILCQFQEJY-UVHMKAGCSA-N	568.702	5.169	50	40	KKGB	
CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)COc3ccc(Cl)cc3)c3cc(Br)ccc32)C1	101559880	HFLOZBHUTHHYSO-TWVFDROZSA-N	573.919	5.207	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(C(C)=O)c2)N=C2CCCC(O)=C21	102531541	MPHKBEYBTNCBSO-AREMUKBSSA-N	501.608	5.929	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(F)c3)=C(C#N)[C@@H]2c2ccco2)cc1	102808885	YLDHPLNYWKYHEQ-AREMUKBSSA-N	532.597	5.524	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)N=C3CCCC(O)=C32)ccc1O	104096249	LGBNIVMRORPTIL-QHCPKHFHSA-N	529.540	6.061	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1cccc(C)c1	104899365	UGQVNFSAHOADPT-UXHLAJHPSA-N	532.438	6.290	50	40	KKGB	
Cc1ccccc1C(=O)C1=C(c2ccccc2I)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N[C@@]1(C)O	150390254	ZCPFJQJEZHDWEP-LJAQVGFWSA-N	700.396	6.417	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)sc3c2CCCC3)cc1	163789596	TXAZAUSVWRDVNV-PTZDRTPLSA-N	659.900	9.219	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)cc1	164745087	PVQFDIAGWHVVPN-YVLHZVERSA-N	627.693	7.775	50	40	KKGB	
C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C	196429244	ZSVIBKXXPKFBHX-UHFFFAOYSA-N	607.311	6.983	50	40	KKGB	
O=C(N/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1)c1cn(-c2ccccc2)nc1-c1ccccc1	199418014	XOSZKEQCLGHTCG-QVAGMWBUSA-N	511.412	7.029	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccccc1	408537921	IBJAUGKZMFQESV-PTZDRTPLSA-N	733.688	9.637	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408566483	GUPQHLKXIYXVAI-RWPZCVJISA-N	587.414	5.487	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408580634	DHKDPPSGQJCFRZ-RQZCQDPDSA-N	570.352	6.538	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	408581425	WLMDJUJEDLFTAM-YBFXNURJSA-N	511.803	6.501	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408610947	VFEOJLSHGOYYRA-VFLNYLIXSA-N	534.827	6.022	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	408611359	QSAMGKCISZCVNV-FJEPWZHXSA-N	542.861	5.571	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408639069	FAKITKHRRFJTQC-FZDBZEDMSA-N	696.017	5.918	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1	408710608	QNTLDGZJEXYPCD-RPPGKUMJSA-N	593.228	5.480	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408710934	YMOPPPOBEAAJDK-KBKYJPHKSA-N	736.098	5.918	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1	408712020	VXVZEUORAJWLDF-QRQIAZFYSA-N	511.416	5.518	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1	408726652	UQHCEKZTVHCPNR-ZDLGFXPLSA-N	555.328	5.333	50	40	KKGB	
C=CCOc1c(I)cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1I	408740537	GXPXILPRVPLRIX-NSIKDUERSA-N	606.205	5.469	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408754012	PCWDNNGNRVWQSR-LGJNPRDNSA-N	657.293	5.059	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1	408754301	PZUMCVBMZSOYHH-ZVHZXABRSA-N	527.418	7.126	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OS(=O)(=O)c1ccc(C)cc1	408764019	VOWIHYPHYWRIAK-HAVVHWLPSA-N	512.587	5.860	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1cccc2ccccc12	408766813	SFKHIHGSRNVWBU-ONUIUJJFSA-N	567.483	7.854	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)c1	408786766	NIAGZQKHEXKEMC-JAIQZWGSSA-N	509.375	6.500	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408791794	CPCJAVFCNZGZCI-RQZCQDPDSA-N	536.242	7.824	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc2ccccc2c1	408793215	NWYQAECEBZQHJU-ZMOGYAJESA-N	575.890	8.088	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408793454	OXSFYEYVKQHJGV-RGVLZGJSSA-N	583.382	6.031	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408794402	IZJRCOHENPHJGL-GIJQJNRQSA-N	637.257	6.518	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC(C)C	408823114	DRNAQBOMIDWIMQ-UDWIEESQSA-N	511.405	6.914	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OC	408830753	GIOAETOCRKAOJG-VCHYOVAHSA-N	576.274	7.288	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1	408831143	PYDHSIWEMMKHOB-BVMLUPFRSA-N	603.459	5.205	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)cc1	408834129	VCSRMUWJCFOKQS-JLPGSUDCSA-N	594.520	6.509	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)cc(Br)c4O)cc3)sc2c1	408840035	XBIMFZDBEODYKC-IPBVOBEMSA-N	621.738	7.110	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841213	DCJVJKYCURQVEF-QQMJPZKZSA-N	812.742	10.224	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408842384	JQYHBZHYPZYXSV-WKULSOCRSA-N	523.445	7.189	50	40	KKGB	
N#CCOc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Br	408846742	YWPXOZRUPMCAEU-ORBVJSQLSA-N	617.245	6.026	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1	408855378	MEVGPVWCOUDYMO-CAQPMQTCSA-N	558.863	7.893	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1	408855624	FGAHMASTWYEDNG-AEVGBRMKSA-N	623.367	9.409	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408860984	KDJDAFHMLOVPFF-KNBZMSCYSA-N	701.224	7.302	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(I)c1OCc1ccc(Br)cc1	408866410	FPXPFHQRSQYLHL-ZMFRSBBQSA-N	580.220	5.190	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408882930	RVOIGLNIFOWQDD-WOJGMQOQSA-N	575.098	7.111	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3Br)c(OC)c2)cc1	408884936	WBIFSLWNOYXWLS-YBFXNURJSA-N	539.813	6.034	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OC(=O)c1cccc2ccccc12	408890123	OETOCNNAJCSTBS-XSFVSMFZSA-N	574.374	6.218	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408904565	LMYMQPVDIUFPBH-UHBFCERESA-N	543.532	5.509	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)c(OC)c1	408923083	JBDRXPLBZUSJLE-MOEPSENCSA-N	771.534	5.185	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1	408945730	LHILXQDQCCIQRM-HHHXNRCGSA-N	842.348	6.280	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	408951546	USHSYTCYWWPCED-NDEPHWFRSA-N	657.576	5.466	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408969470	OCTNIYMTIGTTQW-KMXPPJQQSA-N	585.326	5.769	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)OCc1ccccc1	408989393	KNZLZLFTGYKBMQ-FASBHPNXSA-N	749.347	5.186	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12	409013969	LHEYKSBXPWCJID-XSCOCXMISA-N	538.692	5.675	50	40	KKGB	
COc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)ccc1OCC(=O)Nc1ccccc1C	409020376	OSGOUDNBPDIILI-UHFFFAOYSA-N	545.039	5.846	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OCC	409020491	PVGIRCYXCQJDHZ-NSKAYECMSA-N	694.114	5.667	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCc1ccc(Cl)c(Cl)c1	409021810	ZQRKEGMNUHNHPB-CPDSRJINSA-N	510.377	5.658	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409039200	QUPIAPJICFNKEG-VHFSBPNMSA-N	604.921	8.604	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1	409040024	FGHVKNCKLFNCIJ-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	409046195	JLEQLTFLKBZACL-LZYBPNLTSA-N	581.091	7.643	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	409050394	VIHXHAZFFRPMOQ-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1Cl	409079493	GGNKLPZILXSHAP-KVSWJAHQSA-N	584.241	5.748	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)c(C)c1	409092711	VXBJFXLRZMEFSU-LICLKQGHSA-N	537.326	6.220	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1	409092994	XHCXKQYMPANOSS-NTUHNPAUSA-N	629.158	7.616	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F	409121818	WQKQUFXCXNNLAB-OCSSWDANSA-N	630.483	5.183	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1cccc(Cl)c1	409138394	BCJIWMCTYLOLKM-HSZRJFAPSA-N	527.802	6.004	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(C(C)C)cc2)cc1	409184173	JHURFQBXUCBJIU-FABQOPTDSA-N	611.595	7.178	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409191832	OIOHCGCPNOSLJS-MFOYZWKCSA-N	538.269	6.699	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409250884	NEPZJQYWNOHZFN-RGVLZGJSSA-N	663.434	6.889	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)ccc1OCc1ccccc1	409253319	BJFUQZOKXZHDFE-GXBUFBABSA-N	551.643	6.063	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409256658	MSDJQDSDKQXMFU-ODLFYWEKSA-N	613.306	6.400	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1C	409260210	MPJXXJNNJAXFHP-BKUYFWCQSA-N	503.986	5.919	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409266679	KVAYEEQJYUWHHK-YBFXNURJSA-N	599.400	5.619	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409268445	ZUOJWLHRJMVGCF-SXGWCWSVSA-N	575.246	6.328	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)c1	409268446	ZUQLLRWRMBIVSI-YBFXNURJSA-N	527.930	6.539	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1OCC	409311430	ZSNICWNZDAYLQO-APTWKGOFSA-N	636.486	6.759	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)ccc1OC	409335843	ZAQBJEHNFPJZGS-VYYCAZPPSA-N	603.382	5.628	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	409359724	NPCLAQKBIUGPKJ-KKMKTNMSSA-N	507.215	5.897	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409372547	ZOBAOOBYHPVHQR-YVLHZVERSA-N	530.293	5.990	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	409377986	LFJYAUBQUCJKKI-LGJNPRDNSA-N	517.221	5.353	50	40	KKGB	
COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)COc3ccc(Br)cc3Br)c3ccccc32)o1	409394375	ZPEONACJGUGXHT-BCHBDCPOSA-N	589.240	5.123	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(OC(C)=O)c(OC)c3)[nH]c12	409395153	KLGACNCFTKFVIL-UHFFFAOYSA-N	688.962	7.730	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)cc1OCC	409395740	REHLTBVXOMLAJA-UHFFFAOYSA-N	626.507	7.378	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409397316	IPLYDUOBZKRXNM-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398213	RSMOHNHWVPYONR-UHFFFAOYSA-N	642.926	8.940	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398656	UZTZOULLQHEWNY-UHFFFAOYSA-N	674.451	6.730	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1cccc2ccccc12	409400183	BXBAOGDDEDMGHM-BOABNOFISA-N	648.159	8.814	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(Br)cc1	409400488	DKIDBJKGVLIZPY-KOKCXWAISA-N	721.446	8.533	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Br)cc4Br)c(I)c3)o2)cc1	409400641	DVUGWMSBJZXCAU-FDUMAKPYSA-N	929.185	9.343	50	40	KKGB	
CCOC(=O)COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409402691	KOJAPJLIWSJMDP-FZKWRIDDSA-N	565.626	6.125	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccc(Cl)cc3)o2)cc1	409405012	RSUAGCPAHWSZOR-FZKWRIDDSA-N	554.046	7.262	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1cccc2ccccc12	409406963	YHWOYGDVFPKSIQ-MDCVPAOJSA-N	713.028	9.187	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	1529547232	JQHPYPMRBUYRGQ-XINRNAFCSA-N	844.897	6.013	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc(I)cc2)cc1Br	1529548209	ZCQSMNPPPGXXPC-MOEPSENCSA-N	793.478	5.526	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(OCC)c1	1529548569	JDVOAVZHOIKVST-LOMSXHPKSA-N	725.618	5.041	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O	1531387253	ZMUDNHNLRWVIDK-KEJAGJNRSA-N	561.510	5.381	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1	1790169	QGMJQOIVFQUJKF-AEPTXUNZSA-N	591.289	6.960	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cc(Br)ccc1F	1816698	WDCXOXWWEODERK-GZIVZEMBSA-N	531.885	5.628	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nnc2-c2ccc(Cl)cc2)cc1	2704744	KJPKWZFZECMEBA-FABQOPTDSA-N	590.193	7.439	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	8386682	BMFRNALFKBEZOG-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
COc1c(Cl)cc(/C=N/NC(=O)N/N=C/c2cc(Cl)c(OC)c(OC(C)C)c2)cc1OC(C)C	8843019	JUCCMOFWBGGBCE-LYXAAFRTSA-N	511.406	5.252	50	40	KKGB	
C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1	8917315	XMSJDFZXNVSHJD-XMMPIXPASA-N	503.352	5.451	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)c(Cl)c1	59224557	LKTPWGBBCJSCJS-VCHYOVAHSA-N	512.349	6.425	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1	59528057	VDQRILDYMGBLQD-GFPZRUSRSA-N	541.982	6.101	50	40	KKGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)S(C)(=O)=O)cc1	59884109	NZYBDEXWLGFLIK-UZOOHMMHSA-N	574.099	5.021	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	97950433	ASTWLQSXCZZTSP-AREMUKBSSA-N	533.053	6.256	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccccc1	97960779	MJGYRNVFZMFNCP-YVLHZVERSA-N	732.097	6.625	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1	98001481	ZFTYLLAUZVZORF-YCPBAFNGSA-N	679.941	6.078	50	40	KKGB	
CC(C)(C)[C@H]1CC=C2C(C#N)=C(NC(=O)Nc3ccc(Cl)cc3)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@H]2C1	98002770	NYZNEOZCCYZRFQ-YLORPAJWSA-N	544.486	7.722	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)c1	100118465	CZLXNQJNWWLPSE-GOJREDGKSA-N	590.749	6.870	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	100142119	XZTWTQGVDUGACC-XDHOZWIPSA-N	526.228	6.645	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(C)cc2)cc1	100242950	QXBLAPYJOYUFDR-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccc(Cl)cc1	101305049	MVDIKHQKBVOWSZ-RUZDIDTESA-N	536.097	5.918	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)C(C(=O)OCc3ccccc3)=C(C)N2)cc1	102422595	PEJAEDTWIBYMMD-YTTGMZPUSA-N	565.739	7.184	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	102808207	HLORUOFRYWWGMC-VWLOTQADSA-N	552.578	6.313	50	40	KKGB	
COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(OC)cc2)cc1	102916429	BPDKIEKWCSVVBW-WIZXNMJHSA-N	548.599	6.342	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(Br)cc1	103889142	MGZQZQZLFBZRLS-MOSHPQCFSA-N	572.286	7.618	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c1	105049461	QOIVEEOKVGEKKY-YBFXNURJSA-N	530.249	7.497	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	105437382	WBMWCRSSABJAKU-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	112264894	ZCARNHZCQQPANH-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(C)cc2)cc1Br	150384317	OXUIJWVNXMFDBC-MHDJOFBISA-N	678.436	6.826	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)[C@H](c3ccc(Br)cc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)[C@@H]2c1ccc(Br)cc1	150410759	FVPZZKMLJFRKIA-KYJUHHDHSA-N	776.620	9.424	50	40	KKGB	
C=CCc1c(I)cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1I	150470042	IYFLTPCCLWPYLN-GZIVZEMBSA-N	689.911	5.619	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164739868	ULORWMMCFMVMKK-PXNMLYILSA-N	719.100	7.025	50	40	KKGB	
CCCCOB(OCCCC)[C@H](Cl)C[C@@H](CC(Cl)(Cl)Cl)B(OCCCC)OCCCC	195753585	NMAUTCHFJDKODI-VQTJNVASSA-N	521.999	7.897	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)oc12	223547073	FTNDIDCBEPRYGG-WBBAFLOHSA-N	512.448	6.468	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408535093	XOFCOTBOFQZQJO-KVSWJAHQSA-N	659.693	5.999	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(I)cc1	408540822	BXUVQQOEFSRHIA-NVMNQCDNSA-N	633.236	5.885	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408567923	GXJWJXLZADQPIQ-ZDLGFXPLSA-N	504.949	6.144	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408581635	YDBMNZQKRDHLRC-CIAFOILYSA-N	508.832	8.842	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCc3ccc(Br)cc3)CC2=O)cc1	408602342	DAPYEXYUXRNOKL-FQEVSTJZSA-N	538.442	5.095	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1C	408607037	MVOPVFBSEOOCCG-KVSWJAHQSA-N	504.801	5.931	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	408654908	QZQIMOHQKVZFPR-BFNJWEDLSA-N	661.944	7.262	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccc(I)cc1	408711811	LURMYWBPQBSDNC-RWPZCVJISA-N	585.239	6.550	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408727016	PIFVPANASMALON-XODNFHPESA-N	552.252	6.506	50	40	KKGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(I)c1OCc1cccc2ccccc12	408740590	HEHODLWOPSIGMP-KSEXSDGBSA-N	610.455	7.041	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1F	408746754	GQGXNULBKKUYPX-YVLHZVERSA-N	560.217	6.484	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1cccc2ccccc12	408753023	KTXPDRPIWNTDOK-XYGWBWBKSA-N	553.456	7.464	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1Br	408755965	SPGYUSQSQFKNJB-GHRIWEEISA-N	510.775	5.666	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408767345	ZMWNWMNLVOSFQR-WJDWOHSUSA-N	562.387	5.614	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccc(C(C)C)cc2)cc1	408783996	PCNMQITZVATYBX-RWPZCVJISA-N	518.466	5.771	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1C	408788853	MPFBAKASLMPADC-RGVLZGJSSA-N	540.255	6.953	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(I)cc2)cc1	408789666	QUUJSMRWFZLFMD-DEDYPNTBSA-N	631.264	6.355	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408790266	VJFBYRUHHVTSIN-CXUHLZMHSA-N	685.643	6.582	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c1C	408794389	IYOKHONZVSOAKC-RGVLZGJSSA-N	506.356	6.099	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408799046	XSBFAUHZAQAUKO-CXUHLZMHSA-N	518.194	6.586	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1F	408799297	YSWFPVLZRRREKK-NLRVBDNBSA-N	522.576	6.928	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C	408814236	SDNZECRDHRYGGJ-RTQNPRDOSA-N	517.629	5.275	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(OC)cc3)S(=O)(=O)c3ccccc3)cc2)cc1	408822169	HNBUSUJKGROFCQ-WEMUVCOSSA-N	555.656	5.419	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1cccc(C)c1	408831364	PGUXMTFQASPLSH-WGOQTCKBSA-N	631.954	8.513	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccccc1	408832029	PRNGDYOKQDPQJS-PCLIKHOPSA-N	664.927	8.047	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408837107	YWCKBAQBNAIGRV-XPGZBYHPSA-N	714.866	5.371	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1)NCc1ccco1	408838517	XJMVOIIARPZLMT-HPNXWYHWSA-N	564.686	5.193	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)c1	408842436	KDJPRGHHZNHEFT-KVAAJVFYSA-N	602.499	7.752	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408846764	RTMXRYDWSNWNRR-KMUKQRDJSA-N	782.376	7.913	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408847669	UCSJOORDIJJQSM-MHDJOFBISA-N	677.920	7.461	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2ccccc2o1	408851030	URZDUXRCIJFTLK-PPDIBHTLSA-N	562.645	6.954	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)cc1	408863189	QAVUATKSKCCOBH-PPOKSSTKSA-N	563.679	6.073	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1Cc1cc(C)cc(C)c1	408867116	JKNXKROKBITXGI-CIAFOILYSA-N	570.858	7.097	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408871057	VQSFPXJOOQLEJE-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1Cc1ccccc1Cl	408876586	QGIIIOVQCUUOBK-BUVRLJJBSA-N	543.450	7.717	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408879111	AVAOYUMDHVZMCX-NJZRLIGZSA-N	543.645	5.010	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	408890230	QCHLYPWHHZIHNP-OQLLNIDSSA-N	506.172	7.065	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	408896431	NNLVCBVCSZAKKV-GZTJUZNOSA-N	517.390	5.624	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408913292	SPFJHYLIJXUAOC-IFSBUVSJSA-N	540.576	5.135	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408970323	FZAYBHCFQFGVFT-KVBGEWAISA-N	591.506	5.268	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1C	408970446	HZYYHXUGQLMUIO-BDWWUMKFSA-N	517.457	5.242	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408979764	OLFCSWXCWAXRGH-QWKCNVQFSA-N	635.356	6.802	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	408998312	AZUURALJUSIDGL-MHDJOFBISA-N	625.306	7.300	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	409001072	GKXOVSAYSGUIRG-LSJKGLAVSA-N	576.480	6.593	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409006172	YGUGBMKJXJNHRE-CCZPUOSUSA-N	744.687	5.972	50	40	KKGB	
CCOc1c(I)cc(/C=N\NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409017172	XHDFPTMMOZBRLR-AQHIEDMUSA-N	669.051	5.576	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409027825	FNLCQENALYCADC-FMFFXOCNSA-N	595.508	5.981	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccccc1	409042301	MEXLFVNPTOUNHJ-WOJGMQOQSA-N	543.929	6.321	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccccc1	409042755	CKAZMPSLOGDDNQ-UDWIEESQSA-N	581.410	5.480	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409047360	MJUFOLNBQYANJZ-DEDYPNTBSA-N	611.436	5.570	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)C2=C1CC(C)(C)CC2=O	409135316	YHLXIJITSLKMFS-VWLOTQADSA-N	536.470	5.411	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409140268	QVXXCLLRXQAYMS-RUZDIDTESA-N	629.393	6.482	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)cc1	409159268	ZXLNXUCVAASAPK-XAZZYMPDSA-N	697.313	5.278	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	409184592	MGDKKELAMRZPBM-XJECJHNESA-N	721.457	7.006	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	409192683	FCEPKLWDQWPAME-YPXUMCKCSA-N	582.256	6.909	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12	409220068	XVHMUHFGJODWFI-RPLACLTLSA-N	591.023	5.144	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccccc3Cl)cc2)c1	409223681	HNXNKPYUASIDJS-LJUMEUDFSA-N	556.962	5.792	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cccc2[N+](=O)[O-])cc1OCC	409227355	XYVDOQIEEXSWHS-MNBJERMJSA-N	576.606	5.360	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1	409233796	XKKNZKFMGALVPB-IWEBCOIVSA-N	530.249	7.119	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(I)c1OCc1ccc(Br)cc1	409253760	CAIYUJZCDYUFLQ-KVSWJAHQSA-N	720.143	5.808	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	409255721	MUPCEWXIAGBLNZ-XESQOAJGSA-N	500.357	5.215	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409261370	AWEJXICTIOTFIG-MTJSOVHGSA-N	595.437	5.788	50	40	KKGB	
NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409267908	PVAZWVDUKJGBCL-XKJRVUDJSA-N	584.883	5.598	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)ccc1OCc1ccccc1	409309592	JMXFHPMZYQVZMX-DXJNIWACSA-N	609.498	5.958	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OCC	409315929	XIPRPZWAEVFRJB-LJUMEUDFSA-N	599.478	6.076	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	409315994	WUVMFXLODGVWDF-LQNQUEJISA-N	522.001	5.393	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCc3ccc(Br)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409322186	KYHDPZBTJOHILH-MOPGFXCFSA-N	570.292	5.826	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409364186	NJSVHWSDGGUGDJ-ULPWCQAASA-N	723.132	6.246	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccccc4C#N)c(I)c3)[nH]c2c1	409371114	BAJOURSAAZQNJJ-OCKHKDLRSA-N	642.238	6.595	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(I)cc1	409371895	JIJLOYYUMHNYOL-WQRHYEAKSA-N	506.170	7.241	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(C(=O)O)cc1	409384883	FJPYRKFOMPHXLJ-MZJWZYIUSA-N	519.535	5.249	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCc1ccc(Br)cc1	409391723	KYISWLPXVHQISS-IBBHUPRXSA-N	597.307	6.515	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)c1	409395622	PXXYSPPIVRQXGI-UHFFFAOYSA-N	683.759	8.444	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)c1	409395763	RMEVLLPKFCFTEG-UHFFFAOYSA-N	712.769	8.147	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409396798	BICJCMBQMJJFMC-UHFFFAOYSA-N	612.038	6.414	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(C#N)cccc2c1-c1ccccc1	409397492	KLFPZOVZJXVEAR-UHFFFAOYSA-N	548.986	6.352	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398090	QKFBUPUYUUJPPU-UHFFFAOYSA-N	572.448	7.524	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409402024	IWSOFRYJFGJAFJ-CAQPMQTCSA-N	590.474	6.203	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C	1529546170	DBUHUFYEFQJQDX-WEYKRHLWSA-N	698.827	6.039	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1	2888383	KWHGGSNGLINKGV-YWDBVWQESA-N	542.842	5.438	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccccc2F)s1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	4107697	ZSGJROQALKBVFY-AMVVHIIESA-N	547.015	5.279	50	40	KKGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1	8397860	FQYAVIGTTBMDMM-HZUVFDMRSA-N	648.446	5.979	50	40	KKGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)c1O	8984540	JZVKZWYTIZEBLI-LQKURTRISA-N	510.063	5.780	50	40	KKGB	
Cn1c(-c2ccccc2)c(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21	13134116	NDCKPPVYGYTBBO-MTDXEUNCSA-N	514.632	5.472	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)cc1	14151839	ZWIWBCRBDHKZNQ-DEDYPNTBSA-N	518.038	6.675	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926209	QNHJQHVJNNCIAV-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	59886175	NAAFNYXAAYJVES-OCSSWDANSA-N	553.990	5.493	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C\c1ccc(F)cc1	97966331	SICFJJGSDYFXNZ-OQVGDTCNSA-N	629.520	6.723	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl	100049276	MLVWYOKOSHAQGI-DZUDJTKHSA-N	611.098	5.945	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122266	WYXNHWJZWHVQDR-FABQOPTDSA-N	582.648	6.075	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F	100125781	RUPVLFOTZJVBLO-OCSSWDANSA-N	539.032	5.232	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2c(F)cccc2Cl)cc1	100139337	DGXAKLBAPPXVJI-VTNSRFBWSA-N	570.473	6.600	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	100197703	ZFTLQHQJKGTYFM-FDAWAROLSA-N	590.430	5.331	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)c(Cl)nc2c1	100366569	RKLULTQEOPNQSU-WKULSOCRSA-N	557.459	5.204	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(I)cc2)N1	102807108	GAEZBYFJZYNSQP-SANMLTNESA-N	606.489	5.998	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102809964	ILRCBGIFQODZMT-SANMLTNESA-N	525.590	5.301	50	40	KKGB	
CCCCCCCC[C@@H](Br)[C@@H](Br)CCCCCCCC(=O)N1CC[N+](C)([O-])CC1	104109822	OPTBLTCYRYQSSC-YADHBBJMSA-N	540.425	6.781	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccccc1	104580032	BQHCSFHMJDCAQS-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCCCCCCCC2)cc1OC	105528992	WZQRQOOWKWFNRX-UHFFFAOYSA-N	557.757	5.714	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(C#N)c1C	107634393	QYRBQOPZOCHFAL-DJKKODMXSA-N	569.466	6.718	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795444	SCLYFRLPUGODHK-CALCHBBNSA-N	828.289	12.111	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2OCC)ccc1OCc1ccccc1	408537899	HVPWOOCPEBZUPA-WGOQTCKBSA-N	645.525	8.089	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC	408539300	VFEULVRXBBBEOV-LTGZKZEYSA-N	529.475	7.141	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OCC)ccc1OCc1ccccc1	408539457	WIRHUMQJHAWYEF-WPWMEQJKSA-N	583.084	7.841	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OCC	408540269	PKOQBYKIDPJERR-CEUNXORHSA-N	511.460	6.653	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC)c3ccccc23)c(C(=O)OCC)c1C	408545972	AWITVKGXYZXUNC-XMHGGMMESA-N	505.592	5.681	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(Br)o2)c(C(=O)OCC)c1C	408547038	QTOCHOJJVXWJSO-IZZDOVSWSA-N	559.232	5.247	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552208	PFPJQBQJNLFGTQ-AEUUOICLSA-N	622.505	6.761	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	408580431	PMDRKCPDKMAIOH-UDWIEESQSA-N	572.830	6.733	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1C	408606002	KRQCAQHPIZNRCH-OAQYLSRUSA-N	535.044	5.087	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408658539	VBHXJAVUNDKEFP-GKHGQUPGSA-N	766.226	6.712	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)cc(I)c1OCc1ccccc1Cl	408721891	BDBIFYLKHLZGHG-RPPGKUMJSA-N	535.769	5.081	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)cc1	408745318	LLGGZSHIPMMFJA-ODLFYWEKSA-N	603.254	6.495	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)Nc1ccc(Br)cc1	408753599	GSGOVWYAOMDZEG-LQKURTRISA-N	502.368	5.384	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)ccc1I	408773065	POZSEJOABJLGGS-QDTIIGTASA-N	539.339	5.719	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408784024	QNYAEWCUAGZWCR-RZNTYIFUSA-N	641.074	6.213	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(OC)c2)cc1	408790690	XRFINSXQJAVHBC-KGENOOAVSA-N	582.394	5.601	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccccc1C#N	408790923	ZJOBEJJFWUIWKD-RGVLZGJSSA-N	536.813	6.498	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c1	408798786	WXRKOKKXLYYWTC-QGMBQPNBSA-N	656.145	8.102	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408809349	HKOBSVNGMXVKOV-HYARGMPZSA-N	584.308	6.455	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OC	408809420	HNSSGELXSAVFLP-NTEUORMPSA-N	541.183	5.397	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OCc2cccc([N+](=O)[O-])c2)c1	408822237	BQVPPZPTGNXCPX-LFVJCYFKSA-N	614.452	7.070	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408824067	GTQKXXZRLSZLIL-WCMJOSRZSA-N	586.497	6.058	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(C)cn34)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408829532	ODZVTPCEAWPSJK-KYHGBAKBSA-N	569.687	5.316	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)cc3)cc2)CC1	408832180	XCMGUEYHLBBTET-QCFMCPCVSA-N	548.687	5.669	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408838404	FGNFEXRKHNYXKV-UHFFFAOYSA-N	619.895	7.312	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(I)cc2)cc1	408844257	HNFCXYYWJSOQEH-OJYCWLPVSA-N	690.379	8.163	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cc2cc(Br)ccc2o1	408846326	JLKNENOFRDXXRI-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1	408852610	UVNKYXLJGXMDNM-WBIBEUCMSA-N	724.824	8.816	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408857214	NSOZONHJEBCBDZ-IWIPYMOSSA-N	594.520	6.509	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408858906	RIGMZEZLVAAEQM-KOKCXWAISA-N	618.948	8.764	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408878445	ATYWFOMPMGHORC-KULFSUQXSA-N	710.956	7.055	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408888519	WMANPJNWRKDFLU-CXUHLZMHSA-N	551.835	6.277	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccccc1Br	408888767	AJOSLNQMYAVHJQ-GIJQJNRQSA-N	637.699	7.149	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1cccc(Cl)c1	408891466	RAKIJULNMFBDBX-VCHYOVAHSA-N	544.776	6.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408897170	WQVODJAZYGDISM-LPYMAVHISA-N	582.438	6.440	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(Cl)cc1	408905215	VGWCVJKUIMCQOI-QDTIIGTASA-N	619.799	6.341	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1	408926965	WVURLTGHYQKOQR-MTDXEUNCSA-N	514.047	5.249	50	40	KKGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl	408940938	OTSQAGCAIVBWNK-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(OCC)c1	408950302	RXGFWMPEAMIUAN-MGBGTMOVSA-N	731.669	6.465	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)c(OC)c1	408950971	HXAODCDIMOQYIN-OQMZEJBMSA-N	669.106	5.186	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408952139	VSHQUTJTQXVTTE-PMERELPUSA-N	650.588	5.881	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408964742	RVEXNYKOCRLTRY-XKJRVUDJSA-N	607.244	7.152	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	408969068	GRIKADVXWSMDEW-CLCOLTQESA-N	531.565	6.984	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408971211	HIORJOAQKICOJV-SQWMEXMHSA-N	516.425	5.622	50	40	KKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)cc2)c1	408997107	RDOBZLVCRXSUBV-DICXZTSXSA-N	528.390	5.270	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	409005147	ZKNADWYGUIXVDC-HBHSWBPBSA-N	680.169	8.298	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc(Br)cc(I)c2o1	409011502	GTQVQXKLCSEGOJ-XAZZYMPDSA-N	751.156	7.901	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)ccc1OCc1cccc(Cl)c1	409026330	MAMOTEUINSLBBM-QXUDOOCXSA-N	606.144	6.356	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409029685	AFNCSTQMQYUPEZ-YUMHPJSZSA-N	521.358	5.669	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409034095	GPMKPIUPOMSVOU-ATZGPIRCSA-N	617.956	8.313	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409148073	XADXOOUALRCDDC-XMMPIXPASA-N	544.454	6.094	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1ccc(F)cc1	409161892	BRLNOKACCWWVME-IPBVOBEMSA-N	582.213	5.001	50	40	KKGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1)Nc1cc(Cl)cc(Cl)c1	409169944	RJSZTZCQRIJQLD-IPBVOBEMSA-N	554.217	5.407	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc2ccccc12	409180620	YEEQLSINAZUIOZ-IPPBACCNSA-N	528.233	7.252	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)Cc4ccccc4)cc3)cccc2[N+](=O)[O-])c1	409223097	GQJHRLJOACCAKA-DXJNIWACSA-N	536.544	5.068	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(C)=O	409224127	KSHCRICAXLKWMC-UHFFFAOYSA-N	778.237	7.688	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1	409227345	XZFFDNIBJCHENN-UHFFFAOYSA-N	696.308	6.364	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1	409236558	SUHKTKFCKGMOAZ-MAGMUUGSSA-N	548.437	5.650	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc(F)cc1	409239573	HIVFBHNQQORHLE-MUXKCCDJSA-N	550.343	5.240	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409255682	IGQYGULADQDJLX-VHFSBPNMSA-N	640.165	7.614	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409257458	PBJXAQYSUQCBIZ-QDTIIGTASA-N	589.284	5.618	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(OCC)c2)cc1	409271446	LBGQQINUVFOTDR-HYARGMPZSA-N	548.039	6.317	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1	409305793	XKVFRUXGASXEBU-HMAPJEAMSA-N	565.838	8.140	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)ccc1OCc1ccccc1	409310102	QIEUPGPMGVCXOS-PMNVOCJDSA-N	693.219	8.449	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OCC	409312442	KZMRVZXMIMAYFU-LQNQUEJISA-N	524.017	5.617	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409314578	LJWKDTNPGANWBH-MNBJERMJSA-N	672.497	5.419	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc(Cl)cc1	409324437	UFQPTSUNUKJNAR-CAQPMQTCSA-N	531.008	6.279	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OC	409326119	GYWHMHBTACUYED-UHBFCERESA-N	585.451	5.686	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1	409328062	YNSDSJFQKCNBGY-WOJBJXKFSA-N	632.842	5.240	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	409334718	MRGZGGRLLSRDOD-UVHMKAGCSA-N	566.677	6.145	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409363883	OIIITSKSMXCYMO-ODLFYWEKSA-N	507.949	5.668	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1	409372859	NKRHHHFATQYCNB-VYYCAZPPSA-N	530.350	5.167	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1Cl	409374199	ZQTKPQXNDRXEHN-PPDIBHTLSA-N	614.223	5.787	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br	409387871	XPHYDNIZBBJHIA-YVNNLAQVSA-N	539.205	5.663	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409394786	FVTHIUBCFAZQCI-UHFFFAOYSA-N	631.324	7.651	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1	409395251	LNUMXRNDQDMZBI-UHFFFAOYSA-N	649.314	7.791	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccccc1	409395402	NEFMRXSFNQEIML-UHFFFAOYSA-N	719.739	9.015	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396216	HDPHWJYEBPVLNZ-UHFFFAOYSA-N	614.624	7.302	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409397434	JWEQRGDTJJQKEM-UHFFFAOYSA-N	654.291	7.729	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397605	LTTSYZMDDXVBEY-UHFFFAOYSA-N	548.555	6.043	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(OC)c3)[nH]c12	409398089	QJZCPNSUUXBQJA-UHFFFAOYSA-N	517.585	6.389	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398466	TXYPWXYPCXBYTA-UHFFFAOYSA-N	627.311	8.440	50	40	KKGB	
O=C(COCCOCCOCC(=O)OCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)OCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12	725384906	JROKSXHVOGGVRU-UHFFFAOYSA-N	794.767	5.367	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(C)c2)c(OCC)c1	1529549166	UFXOEFCKGSHUNW-OGEPBOSOSA-N	695.636	5.620	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CC[C@@H](C)C2	1757195	XELCPGNLGLWPDD-DSQDWWTGSA-N	539.997	6.417	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1795528	IQHJNFSGZLZZTG-UXHLAJHPSA-N	529.666	5.491	50	40	KKGB	
N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@H]1c1cc(Br)cs1	3664913	GFHRIRILXYMTNC-OAQYLSRUSA-N	525.497	6.017	50	40	KKGB	
CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccccc1OCC	9089552	ZJJMOFVESMLUBK-DHIUTWEWSA-N	507.612	5.042	50	40	KKGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1c2c(nc3ccccc13)CCC2	13098381	JVWUKPHSXYWMLU-ATZGPIRCSA-N	517.507	5.966	50	40	KKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(OC)cc3)C(=O)N2c2ccccc2)cc1	13689249	WJRUQBHMWPLNEI-DGHLUIFDSA-N	511.647	6.103	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCCCBr)=C(C#N)[C@H]1c1ccc(C)o1	28296534	ZAHWEBXIDBSPHC-NRFANRHFSA-N	502.434	5.450	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2nccs2)NC(C)=C1C(=O)Nc1ccccc1	33354530	KKWLXTDKBBEUGC-DEOSSOPVSA-N	531.663	5.248	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	59960713	NZFUDWIWFOVOEQ-VYVUJPJFSA-N	503.786	5.726	50	40	KKGB	
COc1ccc(-c2c/c(=N\NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)oc3cc4c(cc23)CCC2(CCCCC2)O4)cc1	60045128	NZTYWVVNWMCBDI-POVBJISLSA-N	621.800	6.715	50	40	KKGB	
Cc1c(C)c(C)c(CS/C(=N\[C@@H]2C[C@@H]3C=C[C@H]2C3)P(=O)(c2ccccc2)c2ccccc2)c(C)c1C	95676987	WIUABJLTNQUZQC-LNGZGSCISA-N	513.687	7.797	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	97960638	FKHOBCJUXKVLRR-YBFXNURJSA-N	637.301	7.520	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5Cl)cc4)CC(=O)N3C2)cc1Cl	98048446	XXSCLRYVORHMKF-QHCPKHFHSA-N	536.484	7.100	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	98048641	KNMQPRSFPGGAEU-XMMPIXPASA-N	539.444	6.293	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc(Br)cc1	100062298	WBFPNMWRUGYAFJ-MZJWZYIUSA-N	546.259	6.262	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccc2c(c1)OCO2	100178543	AAVHDAGBXWGPFM-NLDYIMCCSA-N	576.008	5.035	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292944	RQSIIERGCRMZDI-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1	100839074	SFPWHBYPGZFKMZ-NDZAJKAJSA-N	540.133	6.915	50	40	KKGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H](c1ccc(Br)cc1)N(c1ccc(Cl)cc1Cl)C21C(=O)c2ccccc2C1=O	101071560	FMQCFIUDMIRRCJ-HBMCJLEFSA-N	571.210	5.451	50	40	KKGB	
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC/C=C/CCCCCCCC	101144659	LVWSCSGKAPKSBZ-YAFCTCPESA-N	659.137	15.252	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)CCCC)CC[C@]4(C)[C@H]3CC[C@]12C	118918066	FZJXXSXLNFVUGM-WUUSPZRJSA-N	563.705	10.182	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	136635310	RQFSTZDYYAJTRZ-STKMKYKTSA-N	550.636	5.302	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@@H](Br)c2ccccc2)c1)c1ccccc1	139125314	IWCUOHKKHNYQLC-AHKZPQOWSA-N	528.402	6.483	50	40	KKGB	
CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341717	XSMHOCNIOFHFKN-OAHLLOKOSA-N	906.384	13.797	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@H]2C[C@@H]([C@@H]3C(c4ccc(Cl)cc4)=NO[C@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	250540991	TVEXPMZTLXPLLA-WCQBKGPNSA-N	648.079	7.474	50	40	KKGB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)C(CO)(c5ccccc5)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C	263610833	WNWZVDVWRVSRPD-SQFIFXPBSA-N	964.078	6.183	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2OC)ccc1OCc1ccccc1	408537605	GFDOJOXNNHUUPT-ZVHZXABRSA-N	633.926	7.823	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553201	MQSJWVQTHLDKIR-GIJQJNRQSA-N	589.273	6.005	50	40	KKGB	
N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1	408568037	HTJUYZWWRRRMFM-KCSSXMTESA-N	539.682	6.298	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1	408581058	TXHPTLRPPGWLEF-VXLYETTFSA-N	562.099	7.926	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408643803	GMPYORBVDQEDQW-IMJYCFMASA-N	549.813	5.177	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	408711832	MYABOLBXCZKKCN-FJEPWZHXSA-N	535.855	6.716	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1	408717982	KCQIFNFSXPCZDX-VBZXHFNLSA-N	520.383	5.180	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	408724751	HIEZUNYDYGHLIZ-OKCVXOCRSA-N	537.841	6.536	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408725136	HKJQBIPAPRCGQK-IUXPMGMMSA-N	580.693	7.933	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OCC	408726178	QOIIWLVOTBAYAV-WQRHYEAKSA-N	502.352	5.417	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1	408729578	GZEDVMJJWFXXRK-BUVRLJJBSA-N	584.901	8.152	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)ccc1OCc1ccccc1Cl	408772544	MWQIJESUYYBSFY-QJOMJCCJSA-N	504.030	6.710	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)c1C	408790336	PABTUSYPJYIADM-UFFVCSGVSA-N	612.265	6.667	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408793086	CYWCHXANPVWTKA-DEDYPNTBSA-N	554.384	5.823	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1	408794959	KRDJDONPLMHGCZ-XDHOZWIPSA-N	509.331	5.499	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408799095	XUXFGGXRXMOQMD-GZTJUZNOSA-N	530.749	5.775	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OCc2c(C)ccc3ccccc23)c1	408827905	VILJUQORRFRSSB-TURZUDJPSA-N	589.091	8.514	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408836274	ZXSUPEDVGZWHCA-BUVRLJJBSA-N	652.372	8.858	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4cccc5ccccc45)cc3)cs2)cc1	408838300	DGKASGOJWMIYON-HASSKWOGSA-N	647.598	9.121	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)c1	408846219	RFKQNTLENKSPAO-LGJNPRDNSA-N	508.943	5.488	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408855076	DCTXFUFKVFHRAQ-NVNXTCNLSA-N	601.111	8.196	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1cccc2ccccc12	408855957	IDWYOYZTMDEGTQ-OHUYPAJKSA-N	569.455	7.429	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4ccc(Cl)c(Cl)c4)c3C)sc3c2CCCC3)cc1	408858450	ZDHWNTSIORMXLN-JCMHNJIXSA-N	603.575	8.448	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408861735	ABASHQZEOMKVAZ-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1Cc1ccccc1Cl	408869598	QCGNZIVJNXPHQB-RQZCQDPDSA-N	563.222	6.743	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccccc2)cc(Br)c1OCc1ccccc1Cl	408871880	YRWSCFVMRPUTSQ-LGJNPRDNSA-N	519.848	5.933	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccccc1F	408878673	BGNZRFANNXIOQO-LICLKQGHSA-N	607.217	6.326	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2OC)cc1	408879751	FIKFXEIRTMRGSW-VCHYOVAHSA-N	521.913	5.339	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC(=O)c1cccc2ccccc12	408880033	IKXZHWVMYOSJSM-CPNJWEJPSA-N	517.368	6.920	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cccc(Br)c1	408892732	CCGJLQHIKOGQOF-KBKYJPHKSA-N	601.520	6.970	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1ccccc1Cl	408895099	LZIFYSLRCKKIEY-FYJGNVAPSA-N	503.385	7.280	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12	408911318	MYQTXQQPXGPQOT-IAEWTUJKSA-N	517.029	5.459	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1C	408924749	ODSZYFRZHSRMJM-RGVLZGJSSA-N	583.382	6.031	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccc(Br)cc1	408925583	UYRBBKGYTLKHKJ-MUFRIFMGSA-N	583.280	6.354	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408947002	NHZRDFQESSDFHX-NDEPHWFRSA-N	706.446	6.220	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408949767	IUCMSLLTRJQJIN-UUYOSTAYSA-N	544.995	5.973	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc2ccccc2c1	408961712	DOGVHQKDKIQJOS-MHDJOFBISA-N	571.393	7.363	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2C#N)cc1Cl	408985343	APCDSIKHAHGNKG-JMIUGGIZSA-N	506.787	6.407	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl	409000588	YZIXVYBEAZIYSO-DAFRAAHKSA-N	558.421	6.628	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409002068	SGPGEWUSBLKVJP-PXNMLYILSA-N	636.089	9.189	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409011590	GMTXXXQZAUHUHN-ZXZVWIFHSA-N	743.515	8.652	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc(Br)cc(I)c2o1	409015080	AHQKHGLRDQXDKF-OOEWDAAOSA-N	895.882	8.659	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	409019910	XYKVHOJNFDKJMK-ZFZVHJBESA-N	579.528	6.445	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409020468	PQISOHKOBIHURG-KNBZMSCYSA-N	758.002	7.539	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCC(=O)OC	409030380	DBMZIZCQKGRPQJ-UHBFCERESA-N	517.969	5.270	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1	409034374	NPSSKBJKFAQBKO-QJOVZPHJSA-N	566.488	8.280	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc([N+](=O)[O-])cc1	409034766	OJHUHFUFZIVNEP-BIZUNTBRSA-N	532.556	6.162	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(I)cc3)c(Br)c2)C2=C1CCCC2=O	409134442	STBLAFKLZSJOOW-QFIPXVFZSA-N	590.259	5.363	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1cc(Br)c(O)c(Br)c1	409185285	VWCNLDDRYAITSL-LSFURLLWSA-N	530.625	6.079	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)cc2c1	409188251	XTRYSBASPRACPO-WKIKZPBSSA-N	514.807	6.419	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409190515	PBQBWLRVRKNQDY-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
COc1cccc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1OCc1ccc(C(=O)O)cc1	409190822	WOLRPSCHCYGJEH-UHFFFAOYSA-N	531.996	5.797	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cccc2[N+](=O)[O-])cc1	409222214	CAVCRQKITVGOKP-LJUMEUDFSA-N	556.962	5.792	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1OCc1ccc(Br)cc1	409233280	FGCKHVHISMCALC-DIBXZPPDSA-N	559.504	6.811	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409237937	YBYGYJGJKUAIRT-PXNMLYILSA-N	708.643	7.693	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409240225	RYILWTDMPVZLEE-PXNMLYILSA-N	708.643	7.693	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	409246962	LTIKSHJRFVDNTN-PPDIBHTLSA-N	564.205	5.321	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1	409267330	SZCOPXIKFBMQNM-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409268585	WECNKIXITCBYRL-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OC	409315494	VRMXCLAHEVMJTH-CAQPMQTCSA-N	533.024	6.642	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OCC	409316032	KJBGOEPAZYCDBJ-CAQPMQTCSA-N	566.054	5.792	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1OCC	409317195	SJUCHRXAJVIHGS-LQNQUEJISA-N	566.452	5.502	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1OCC	409319446	GHDDLTJHOGHOSX-FDVSRXAVSA-N	517.460	5.967	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409342961	HSEKHZCDVPICOY-XODNFHPESA-N	545.365	5.036	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	409363065	JHBQRNLTFZJPIX-YKQZZPSBSA-N	501.424	6.437	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)ccc1OCc1ccc(Br)cc1	409366604	WYZIMLMKXUWZAV-NTFVMDSBSA-N	527.415	5.137	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409368793	NGVNURZIJBGVKC-ODLFYWEKSA-N	594.674	7.749	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1cccc(F)c1	409371979	CSPCKQNFQCCDRP-WCMJOSRZSA-N	506.961	6.383	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409373170	NYGKZNIGGGIGJZ-VWJSQJICSA-N	557.861	7.550	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)c1	409395405	NEVHJDYLKDLTDR-UHFFFAOYSA-N	645.351	7.960	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409396002	VBAPNLZYTKCDQD-UHFFFAOYSA-N	704.375	7.138	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409398682	VECKRHYKMSEFRF-UHFFFAOYSA-N	586.475	7.832	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3cccc(F)c3)o2)cc1	409400604	DSRPZCKSFHWCFS-AEUUOICLSA-N	572.036	7.402	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCC#N)o2)cc1	409401211	GVPGFBNIGXXJQS-MNDYBZJGSA-N	592.406	5.603	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc5c(c4)OCO5)c(Cl)c3)o2)cc1	409402679	KNJXEJOTCGWFTE-QMRORBIVSA-N	598.055	6.991	50	40	KKGB	
CC[C@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409402826	LFEIOHCQRVSKIO-HHGZQQQNSA-N	628.951	7.632	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3cccc(F)c3)o2)cc1	409404589	QIKKDOOVDXFQEF-FZKWRIDDSA-N	537.591	6.748	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3cccc([N+](=O)[O-])c3)o2)cc1	409405074	RZHNCRGLJDYZDO-OHUYPAJKSA-N	609.595	6.425	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl	1529549375	XJEVNVOLIYNVMA-JQJFYRLNSA-N	785.342	6.982	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(O)ccc2ccccc12	2097842	IRQNGXJHGLBBDX-HRXXRIAWSA-N	521.046	5.219	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c1	2726965	ADTHHTAUXQSQSH-ZHZULCJRSA-N	500.396	6.315	50	40	KKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Br)c2)c1	3115195	LIIPBJNHFRFMOC-RWPZCVJISA-N	509.400	5.629	50	40	KKGB	
O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12	3188384	QKZIXPFAAPGUQI-ATZGPIRCSA-N	514.507	5.628	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC3=C2C(=O)CCC3)cc(OC)c1OC	3277135	JMTVHMNERHIUTF-XMMPIXPASA-N	574.486	5.820	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccccc2)cc1	9122244	DVLOEBYJHOSBNV-WDMJVNMNSA-N	511.647	5.097	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3C)=C(C)N2)c1	12250346	XZUMGIBMIULNJS-SANMLTNESA-N	514.607	5.303	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(Cl)cc2/C=N/NC(=O)c2cccc(Cl)c2)cc1	13786153	MBTXIRIZNGIBGM-AJBULDERSA-N	529.464	7.174	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCc2cccc3ccccc23)N1	19939882	DAZYEPGVUDQXCA-SANMLTNESA-N	503.067	7.464	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl	19951996	UVPYAWUCTJMURE-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccc(C)cc1	20065527	PRDLVHZSBBMANQ-RUZDIDTESA-N	508.043	5.754	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	32520737	GPOJHGQMAIFYRQ-RPPGKUMJSA-N	502.448	6.425	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1Cl	58913098	HTOCODWURZJXER-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1	59281502	CHSSHROFLZWRIR-WOJGMQOQSA-N	501.302	6.593	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	59856207	HXCAMVNPFGMPMQ-JWHWKPFMSA-N	589.673	6.065	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)CCc2ccccc2)cc1	59856542	ITRCFKHOCJZOLF-FEZSWGLMSA-N	541.673	5.829	50	40	KKGB	
COc1ccc(Cc2nnc(SCC(=O)/C(C#N)=C(\C)N)n2-c2ccc(Oc3ccccc3)cc2)cc1OC	97979542	PFEYHZHOZQKVBE-LYBHJNIJSA-N	541.633	5.085	50	40	KKGB	
Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	100063026	QCYNGBIKYQVOKU-IPPBACCNSA-N	529.265	6.760	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)cc1	100100188	ATRKBSNPWFOMAH-WCMJOSRZSA-N	566.952	7.875	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(I)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100239644	MGQWNIZKCFZJES-WPWMEQJKSA-N	611.889	5.079	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332128	QOYNYVRBZQICRX-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	100944984	BPJRINLDYRQLGQ-DICXZTSXSA-N	544.632	7.761	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1	100988851	WLORXAMFVBWXFX-UEKTYDJUSA-N	542.875	7.020	50	40	KKGB	
C/C(=N/NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1)c1ccc2ccccc2c1	102436903	YKBDCHMVQWCOGL-MWCUHBRSSA-N	569.134	7.015	50	40	KKGB	
CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	102537312	XOSWUIPYHKIQSZ-PLACYPQZSA-N	557.323	6.159	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)ccc3N[C@H]2c2ccccc2Br)[C@@H]1Cl	102682168	RBCMVAUBLNSVGY-ZDJAMIHNSA-N	550.305	8.049	50	40	KKGB	
N#CC(C#N)=C(C1CC1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12	102698202	VJZCKEQNVPBUPV-RJIGRWNCSA-N	502.017	6.961	50	40	KKGB	
c1ccc([PH](C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	103843979	OSYPBPTXARLSPW-UHFFFAOYSA-N	540.627	6.397	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)COc4cccc(Br)c4)c3C)sc3c2CCCC3)cc1	103867414	SFTRVQBTMATFKH-FZPRHHONSA-N	619.585	6.887	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341803	YZELJIDXBHAHQK-SFHVURJKSA-N	948.465	14.967	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)c2C)c1	150385320	NHKOGKQLGHZOOV-NNLKUIAGSA-N	639.221	7.832	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc(Br)c1OCCOc1ccc([C@@H](C)CC)cc1	150425798	GDWHGTXDMPGJDP-OSOATCBPSA-N	680.625	6.616	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C\c3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)c2=O)=C(C#N)[C@H]1c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2	150555999	RYCHZRJRQYBFLB-KVPPMWGDSA-N	783.018	7.168	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc([N+](=O)[O-])cc1	150641001	WOULQAHHGWZSTA-MUXKCCDJSA-N	677.236	6.300	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	162478107	WEEZVSZNNVHOIE-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	408539772	YUIMQGDKUIAEGP-PDGQHHTCSA-N	579.289	7.405	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	408540040	MDKYBECLCJFYPB-XYGWBWBKSA-N	506.397	5.869	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccccc1	408549477	UGFIYFZYOVOCKQ-CFRMEGHHSA-N	517.366	7.096	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551200	JJGMTISAKRNZPT-CXUHLZMHSA-N	605.272	6.423	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1	408553604	ONPXTWDDEMZBQP-PDGQHHTCSA-N	524.360	5.343	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408568288	IULRPBOOCYGRLC-CCVNUDIWSA-N	577.953	6.689	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408570543	WOFWJUFUDDBOCU-IPPBACCNSA-N	547.073	6.074	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	408581228	HSKGEINIUPWMEK-LICLKQGHSA-N	500.429	6.496	50	40	KKGB	
C[C@H](NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)c1ccccc1	408610307	NKEDMGLOBDYKFW-VMJBBSNPSA-N	504.801	5.553	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1Cl	408612948	XPNZNDOZAPDPLF-LUOAPIJWSA-N	511.192	5.968	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)NCc1ccccc1	408746515	DYQUFAGAFUCZDB-FBHDLOMBSA-N	645.238	5.570	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408746535	ZVFDJEXMGOOUPI-JCMHNJIXSA-N	551.868	7.354	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)NCc1ccccc1	408747522	PDAATWWAERZFHU-LSCVHKIXSA-N	506.216	7.103	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(I)c1	408762892	MYYBYTKMKQQHIP-OQLLNIDSSA-N	654.236	5.275	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1	408780800	KYWTZINTLHJWTC-BGABXYSRSA-N	569.108	7.720	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)c1C	408788542	KYOMCJDFBPKBLJ-ZMOGYAJESA-N	590.315	8.106	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccccc1	408790434	WDGODIBLUZRFJQ-VCHYOVAHSA-N	546.248	7.279	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1	408791997	GJCHBJNNWZPCSS-DEDYPNTBSA-N	505.914	5.550	50	40	KKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(I)cc1)c1cc2cc(Br)ccc2o1	408815411	RGLRQSXVYDIFCO-ZMFRSBBQSA-N	575.200	6.143	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408816539	JTIHCOIMXLMFOH-OJYCWLPVSA-N	686.506	7.317	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccc(C)cc1	408825730	FIGPSMCQQAGRQK-GOJREDGKSA-N	607.732	6.472	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408825818	APWKXZMKODAHNJ-QXUDOOCXSA-N	622.143	5.980	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408829473	PGSMINXBEFVJSR-ZXTCRCEHSA-N	783.756	6.678	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1cccc2ccccc12	408832702	IIQWFRLEPMRVOD-WPWMEQJKSA-N	698.411	9.077	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1	408843344	SWRICLKLYLMIGR-PGMHBOJBSA-N	572.514	6.333	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1cccc(F)c1)c1cc2cc(Br)ccc2o1	408846182	XSOVWVYGVLQQTG-PPDIBHTLSA-N	546.190	6.440	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccc2ccccc2c1	408846368	NAEHFEBACUYPTH-FSGOGVSDSA-N	541.651	6.903	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C4=NN(c5ccccc5)[C@@H](N)[C@@H]4C#N)c3C)sc3c2CCCC3)cc1	408847670	NWVYKBFLVZHNGV-RHLZFJEISA-N	599.764	6.803	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408849986	CIUROGVSKHMMSW-CAQPMQTCSA-N	590.474	5.930	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(F)cc1	408852220	DPVIBQVRDQTPAH-CXUHLZMHSA-N	520.185	7.020	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1	408860806	FLOZNAZMVMAIRK-XICOUIIWSA-N	614.123	6.426	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1Cc1cccc(F)c1	408868240	OQQUCIPTIYOBEL-RGVLZGJSSA-N	540.376	6.274	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc(C)c2)c(OC)c1	408876990	RTXWOJPZNOJXGY-LPYMAVHISA-N	552.412	6.295	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1	408879431	GDSZRXFNMCKWKN-VULFUBBASA-N	522.608	5.425	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12	408887629	PVRQTTSGSIXXGN-WCMJOSRZSA-N	523.416	6.653	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408887721	SQWWUKDEWFQYFV-DEDYPNTBSA-N	646.459	5.098	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2I)cc1	408888094	SLDCZNVIMHUKPG-VXLYETTFSA-N	664.237	6.027	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)c([N+](=O)[O-])c1	408890990	JPNPOJSCQSIATR-WOJGMQOQSA-N	538.354	5.499	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408891390	PYIKQUVSLMDYFQ-DPWJMMOYSA-N	624.428	7.392	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl	408904124	FCQORGREFBNOJV-QDTIIGTASA-N	551.268	7.198	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccccc1	408904502	KLUYNFVTXONMGP-ZMFRSBBQSA-N	547.247	6.263	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Cl)cc1	408907370	MOECKTSSNBTUNZ-BCHBDCPOSA-N	528.304	5.689	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OCc1ccccc1C	408926739	XZMRNVNWKYZKBJ-SRZZPIQSSA-N	505.958	6.388	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408942148	FWADFGCJIOLXOI-HHHXNRCGSA-N	795.348	6.438	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccccc2Cl)c(OC)c1	408947214	AWKUHYSLGYRRDK-VOSMKULASA-N	720.404	6.064	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc(Br)cc2)c(OC)c1	408951278	IHUXCLURDCFNAC-VOSMKULASA-N	903.306	5.966	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccccc2Cl)c(OC)c1	408952079	JVBMWHVALAXUDC-VOSMKULASA-N	858.855	5.857	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408962529	SRWQSFDADRZQAI-VFLNYLIXSA-N	521.360	6.723	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408974125	XMIDYPDUFMHPLG-IDLLOIOHSA-N	685.446	7.937	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1Cl	408983952	OVCYHUZKOFFIJF-YSMPRRRNSA-N	521.020	7.052	50	40	KKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(Br)c(O)c(Br)c1	409009856	ABQFRKXXOSLXNC-DHRITJCHSA-N	520.221	6.013	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1	409045464	YQEDASDXLOGUAE-CXUHLZMHSA-N	520.185	7.020	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccccc1C#N	409048466	OSEGCRIYIRSFRZ-QXUDOOCXSA-N	512.569	6.125	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccc(F)cc1	409054067	QTEFJYBNUGZUOW-KKMKTNMSSA-N	505.771	5.902	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1	409055582	ZSCVYBMGMMLVQX-XODNFHPESA-N	583.253	6.648	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1	409064374	GWNZUSDEHHCDAM-FOWTUZBSSA-N	503.363	5.315	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(O)cc1	409077522	FTTKWHDGVYBBSS-NTUHNPAUSA-N	515.265	5.853	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	409141615	APEKMZZNFJQLLJ-LGJNPRDNSA-N	577.229	5.400	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1	409163618	VCAYGZZEBZZOHS-VVEOGCPPSA-N	622.303	5.433	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc(Br)c2ccccc12	409202067	YZLZIYQHSVADGN-FYJGNVAPSA-N	528.406	5.962	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409218979	MAPYPHDFROZFOR-UHFFFAOYSA-N	596.854	6.891	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409222297	WOQYKOSCUPEPOS-FPJJECCMSA-N	597.409	5.961	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409223654	JCAHSWPQNHTZSE-QUJSKKLRSA-N	644.080	6.009	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1	409223732	IKYAMOHWUCNNOP-MNBJERMJSA-N	552.543	5.147	50	40	KKGB	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409226213	PUVNPMSYCKUWGW-UHFFFAOYSA-N	507.171	5.083	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409226232	PZGKZUJAALWMDD-WOJGMQOQSA-N	601.828	5.825	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccco2)c1	409226599	VAOLNJHUGIEUAH-CVKCESJKSA-N	603.385	5.585	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(I)cc1	409253543	ZNCKIQXFQCCIAT-CTPANLQCSA-N	664.281	6.268	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1	409255446	KPAPIDLDPVJXDG-ODLFYWEKSA-N	524.404	6.182	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1	409256814	NNKQTVKXWBFTQA-WQRHYEAKSA-N	510.377	5.874	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409262161	CXXTWYKDSYHWKC-GZTJUZNOSA-N	572.818	6.203	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)CC2=O)cc1	409265919	VAGWECXDIGFBQP-ZKIGUAJRSA-N	540.447	5.647	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1OCC	409316626	ZAKQYALHLQONAP-YKQZZPSBSA-N	509.002	6.045	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409324595	UIWPFQIKABKWTG-OHUYPAJKSA-N	629.518	6.511	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409368751	KTJGUKMDJYAVKO-MNDYBZJGSA-N	562.519	5.659	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409369071	ACFJYBNPSYZFLY-XKJRVUDJSA-N	505.232	7.376	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409370188	MOHZAXTXOWYEGQ-JAIQZWGSSA-N	539.386	5.431	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc(I)cc1	409373870	IOIVWUQRKARRNW-ODLFYWEKSA-N	569.830	7.171	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409395651	QGFPNJGDPYFPIW-UHFFFAOYSA-N	642.853	7.014	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409396734	ANTHVTCBLKXJLL-UHFFFAOYSA-N	570.020	7.318	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nnc2-c2ccccc2)cc1	2238454	ROLPKXPMRVYBRB-UZWMFBFFSA-N	549.656	5.764	50	40	KKGB	
C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)c(C(=O)OCC)c1C	2445579	WVGPZSPNRUKQII-CYVLTUHYSA-N	529.643	6.829	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196224	NUMWMNJPIBVJFX-UVHMKAGCSA-N	522.226	6.036	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)nnc2-c2ccccc2)cc1	16226372	DWWMSKMEXQNJNA-AJBULDERSA-N	519.630	5.852	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	20233059	RIVHSYLLMVOPAX-ZTKZIYFRSA-N	515.660	5.568	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1c(Cl)cccc1Cl	33958269	SWTQVXKXLADWBC-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4Cl)S(C)(=O)=O)cc3)cc2)cc1	59883287	BKHRJLMTKMCLPY-BIZUNTBRSA-N	562.091	5.958	50	40	KKGB	
COc1ccc([C@@H](NCCCN2CCN(CCCN[C@H](c3ccc(OC)cc3)P(=O)(c3ccccc3)c3ccccc3)CC2)P(=O)(c2ccccc2)c2ccccc2)cc1	95677071	GFXZFTHULBPRMZ-WLTNIFSVSA-N	840.986	8.006	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC[C@H]1CCCO1	97946310	BZABBPOVUIHSDM-DPJFAKJTSA-N	539.035	5.974	50	40	KKGB	
Cn1nnnc1SCc1csc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c1	98007415	RZVMLLSYPYBBKV-OAQYLSRUSA-N	538.102	5.158	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3cccc(Br)c3)c2C)c(C)c1	100100622	OEBHQZUTKWIAAQ-KKMKTNMSSA-N	563.359	6.619	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	100745268	AEPTVRRUCYRWOJ-AREMUKBSSA-N	530.675	5.772	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccc(Br)c1	100852811	YDDYBDIFNGDKQP-MFKUBSTISA-N	543.537	6.379	50	40	KKGB	
CCCCn1c2ccccc2n2c(C(=O)N/N=C3/C(=O)N(CC)c4ccc(C)cc43)c(-c3ccccc3)nc12	101051595	LOQWCXWZDDLXKO-MUGXBBEHSA-N	518.621	5.565	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1	101178618	TUQHYVJCHJXINH-RKZIHRPTSA-N	587.326	6.499	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1	101556390	DIEULCFRRHLSHK-HHHXNRCGSA-N	536.097	5.961	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1F	102719114	UALFRUXETJVXNR-HHHXNRCGSA-N	607.505	6.303	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	102933172	JNWXIPAFNZJGGR-NDENLUEZSA-N	562.807	7.289	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)Cc2c(F)cccc2Cl)cc1	103610639	DJMAYPDDROBIJP-OKCVXOCRSA-N	524.017	5.282	50	40	KKGB	
O=P(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F	104147535	VDVWCGGZSOUZCE-UHFFFAOYSA-N	548.141	5.413	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	107846425	HNFKMQODDZBFQG-FJEPWZHXSA-N	548.308	7.325	50	40	KKGB	
CCC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1	118918291	HNLMHAUNUCSDSQ-RLPLIERXSA-N	549.678	9.503	50	40	KKGB	biogenic
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	150433864	CXECIXYMMAGGLB-ATZGPIRCSA-N	633.985	6.799	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)Nc4cc(C(F)(F)F)ccc4Cl)c3)c2)cc1	150448505	GKLITDNHAZWZSJ-UHFFFAOYSA-N	683.086	5.044	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc(C)c2)c(I)c1	150653686	JEBWFTYZWLRFCR-ODLFYWEKSA-N	678.264	6.116	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	169795353	LRJANUDGFSIFCC-QWRGUYRKSA-N	644.113	8.500	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C	253531087	HQCIIKWOMRRRPN-CVBXTVLLSA-N	521.624	8.723	50	40	KKGB	biogenic
CC(=O)OC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2	299817378	ABUHPHDFZWIMHE-KJQHHSFTSA-N	540.785	7.810	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc2ccccc2c1	408548662	KTDJIYBAJTXPJE-KSEXSDGBSA-N	657.245	7.390	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551170	LWDPJVWIKNWCDT-CAOOACKPSA-N	615.322	7.287	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	408580645	DLIQUHOWVLKAKU-CXUHLZMHSA-N	549.299	7.250	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408581130	GJOWGBOURUEGDL-RGVLZGJSSA-N	541.341	5.650	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408599697	YRRUZNMZIMHFRI-CCVNUDIWSA-N	589.284	6.760	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408604239	HUJZRDCWTSJNLP-HNNXBMFYSA-N	534.827	5.731	50	40	KKGB	
CCOc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OCC	408607476	SNZSELFPLZGCND-PXLXIMEGSA-N	510.594	6.059	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408648173	JSHOKSXZVMLICP-QBUTXBTOSA-N	818.129	7.537	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408668259	DAQAGWHZEGXSEZ-ZCQNZVIGSA-N	584.393	6.972	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408718865	QRYZSMMVWTVCKN-CCVNUDIWSA-N	536.253	6.426	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408726593	UCBAFTKHJQVGBB-WQRHYEAKSA-N	603.800	6.376	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408743949	CQZFYKNUWZNKRJ-SXGWCWSVSA-N	581.091	7.643	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)c1	408745681	OETCGGCREISQAE-ZDLGFXPLSA-N	590.699	7.388	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1	408745741	VHAZUAPLWSSNFJ-ZROIWOOFSA-N	516.735	6.215	50	40	KKGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12	408755491	QIEMVMXLPROVFG-XIEYBQDHSA-N	504.567	6.306	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408766496	RLXRBYDGOXZPJX-DEDYPNTBSA-N	555.450	5.778	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408766972	XXKKUYYITRVJGQ-MHWRWJLKSA-N	698.289	5.674	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1	408767906	AGNPVLIDHKVQTL-LGJNPRDNSA-N	526.829	5.001	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408790349	PCWYRPYZWPTQDB-LDADJPATSA-N	525.302	5.324	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)c(C)c1	408792213	JPTMZJQYQJLGFN-CIAFOILYSA-N	505.368	5.889	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)c(C)c1	408792421	BEBNSXXDZDWGFE-VXLYETTFSA-N	605.245	6.934	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408793068	DAQVRTFTJMOTOU-DJKKODMXSA-N	560.275	7.506	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br	408795389	LQAUZBYWJINUPP-WUXMJOGZSA-N	531.031	6.629	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1	408795656	MBSNQCMZZACLDG-CIAFOILYSA-N	519.342	5.596	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408799320	KHLVEXOIYLERMJ-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(C)c(C)c1	408800302	LSYNODLTVHBFPJ-SSDVNMTOSA-N	553.884	7.551	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)ccc3ccccc23)c(Br)c1	408801788	BQTSDQQMHMGUEL-HZHRSRAPSA-N	511.419	7.344	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccccc1F	408818161	PBZBAUQMIHSPRL-WQRHYEAKSA-N	542.304	5.253	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408826814	TUELOWHPMVXCBH-WGOQTCKBSA-N	631.954	8.513	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408832601	XXQGFQJHOJBKBV-XZYGTATASA-N	685.040	6.907	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(C)c(Cl)c2)cc1	408833198	ZYFQTRFWJKGRQO-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c(OC)cc1Cl	408836722	URKIEYDUTTYDGH-LZYBPNLTSA-N	552.241	7.442	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)c4ccccc4O)c3C)sc3c2CCCC3)cc1	408846382	JAJGVDPZYFIPPY-LJUMEUDFSA-N	526.662	6.065	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2C)c(Br)cc1OCc1ccccc1Cl	408847182	MDRBSQHQYANSEL-YBFXNURJSA-N	604.726	7.697	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)c(Br)cc1OCc1ccccc1	408848772	SNYUPRVSPYJXIS-PXLXIMEGSA-N	533.466	7.270	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1Cl	408849205	ZAJXQJLZPMXKGJ-QNVXDBMFSA-N	637.976	8.865	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408855772	DLSCCQIDDVALPC-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(C)c1	408855871	GEXVYWNMNITRMD-MBTHVWNTSA-N	507.384	6.245	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408869039	OWKGXKUEBQIUCS-KIBLKLHPSA-N	548.364	5.366	50	40	KKGB	
COc1c(I)cc(I)cc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1	408878752	CZXOUFKBQMFOOM-JQAMDZJQSA-N	686.235	5.816	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccccc1Cl	408883725	WGGQDORWMYWNEG-HYARGMPZSA-N	561.863	7.779	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2cc(C)cc(C)c2)cc1	408885204	YIRFOWHCMSDDQE-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408891443	QOEJJKZMXABLBG-UVHMKAGCSA-N	541.840	5.886	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1	408896219	QNQNLDWKQVLIMX-GZTJUZNOSA-N	581.335	5.780	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408897445	WZTYAWXPKJIFIT-UZWMFBFFSA-N	623.525	5.310	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1	408910378	KMSGJJGQZSYGTI-KBVAKVRCSA-N	529.464	6.761	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)OCC)cc3)c(OCC)c2)c(OC)c1	408948667	DAIVNKHZVWHBME-PZLKCPHYSA-N	814.630	5.174	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408960308	DOTXKKCRYZAREZ-VFLNYLIXSA-N	599.369	5.423	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408973558	YWEWZVAMDDYZMX-BABAGQBZSA-N	556.490	5.941	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408986168	ZWJPTHMTAARCGH-MFOYZWKCSA-N	597.667	7.685	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	408998339	UHBUHMMUFBCBBR-NVMNQCDNSA-N	680.236	5.727	50	40	KKGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(OC)c2)cc1	409012178	JDBIJMPJSSYGMI-QJOVZPHJSA-N	597.712	5.718	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1	409013984	LLJDRKMUYDBWGN-GLYJRIHASA-N	593.555	6.753	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2cc(OC)c(OCc3ccccc3F)cc2Br)c1C#N	409086426	QSRMZYLSLROKCA-VWDPFFEDSA-N	650.299	5.189	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1	409089799	KDDHMHMHVKCMAZ-OQLLNIDSSA-N	534.244	7.141	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409090217	LGZSIELVQCRAKJ-CPNJWEJPSA-N	511.494	6.363	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409135916	WLDKDTYZQJFUBH-OAQYLSRUSA-N	562.645	6.368	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)cc1Cl	409138763	HTNGWLKHKFWUSB-VPUKRXIYSA-N	558.314	7.271	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409145823	QEIVYRSYMRHWLG-RPPGKUMJSA-N	581.648	6.045	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409175599	SQZCTWXILOEBJG-MHDJOFBISA-N	590.986	5.644	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)cc2c1	409186539	DMGPRGIDCCTXAT-MNDYBZJGSA-N	535.984	5.583	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409210147	FDCIWWIJYIAFHX-IUXPMGMMSA-N	653.170	6.355	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409222653	CRNAZMBTLZOERV-SLCIXIPPSA-N	535.394	5.519	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)cc2OC)cc1	409226027	RIOYYFUSZHBRDB-UHFFFAOYSA-N	592.435	6.246	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409250243	LWPLFKPQAOXSNA-FYJGNVAPSA-N	503.986	5.919	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3cc(C)ccc3C)c(OCC)c2)cc1	409256431	LEKLNNSWTCTKHR-HYARGMPZSA-N	639.490	6.269	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCC(=O)Nc2cccc(C)c2C)c(Br)c1	409256556	PHVLMIFLAVEKMD-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
COc1ccccc1C(=O)Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1OC	409258646	VBTKLWLAIRDMNI-UHFFFAOYSA-N	516.644	7.008	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1	409265586	MXCWWERGYDSNRJ-XKZIYDEJSA-N	532.438	6.246	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1)Nc1ccccc1Cl	409269060	DLHLNNMASBSXFT-KVAAJVFYSA-N	616.530	7.642	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409270331	PJNKGKWGBWVVHB-SRZZPIQSSA-N	629.882	5.893	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1OC	409302173	HUICRTAUMQXXCE-DICXZTSXSA-N	535.405	5.098	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409312525	LPJNFXHERCMHOB-ACXHZZMFSA-N	561.513	6.366	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(F)c2)ccc1OC	409315524	IZGPKHDSRAOYKZ-QDTIIGTASA-N	580.248	6.101	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)ccc1OC	409325939	DKJPQFQLMUATBQ-FDVSRXAVSA-N	545.405	5.737	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1	409328060	YNSDSJFQKCNBGY-UXHICEINSA-N	632.842	5.240	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)ccc1OC	409333072	IFXDGEKRXZLTRV-WGARJPEWSA-N	567.845	5.041	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCc1ccccc1Cl	409335861	PLNIIMDOPXDADZ-HQDYHJHZSA-N	579.480	7.323	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1ccccc1C#N	409372024	DNHYBPGLKYBAJW-VTNSRFBWSA-N	513.981	6.115	50	40	KKGB	
COc1ccc(OC)c(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)c1	409372827	NWPYMUKPVLSXHB-CPDSRJINSA-N	578.518	5.277	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(OC)c4)c(OC)c3)[nH]c12	409398014	QBXZGYIXHUGFCD-UHFFFAOYSA-N	582.056	7.051	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409398307	SLMVSROLFPQNDC-UHFFFAOYSA-N	551.986	6.509	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C#N)cc1	1529548630	KIEKIRLVNPPTSN-LVOLJPLZSA-N	652.560	5.329	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)c(C)n1-c1ccc(I)cc1	3287659	DQZQLGJCTYQWEJ-LQKURTRISA-N	536.417	5.870	50	40	KKGB	
N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@H]1c1ccc(Cl)c(Cl)c1	3656958	UBNPPTLLVVLBHZ-ZWEKWIFMSA-O	505.450	5.872	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c(Br)cc1OCc1ccc(C)cc1	4196408	HOFHNZWEGUCSLB-ATZGPIRCSA-N	606.586	7.457	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3)nnc2-c2cccnc2)cc1	16712226	FHWQCBPXHDOYSK-QRQIAZFYSA-N	507.019	5.014	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	19849275	QPOYLZOHTACNSZ-PKAZHMFMSA-N	521.002	5.437	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	33355204	QCRISTCHMCCFGK-MUUNZHRXSA-N	555.059	6.793	50	40	KKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2Cl)cc1	33447201	JISLDUOFXQVZMS-WJDWOHSUSA-N	502.379	5.348	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)Nc1ccccc1	59646391	QGSDQKCJJJQWGS-DAUMYKHFSA-N	564.667	5.242	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3/C[C@H](C)CC(C)(C)C3)cc2)c(Br)c1	97980800	LRKBRAIBXIMEBL-FSPSLNBNSA-N	536.308	7.031	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	100124429	PQNCQFVNYSLWKH-OCSSWDANSA-N	583.483	5.341	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126073	TZUSFKGWGXOXOJ-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	100336447	BRANDTCNEYAKSP-PXNMLYILSA-N	566.666	7.543	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)Nc1ccccc1Cl	100392011	OHBWPRZSXNPNIG-KCSSXMTESA-N	557.006	5.025	50	40	KKGB	
CCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	100557569	BCYXZGBFKZQIMN-RRPFGEQOSA-N	541.280	5.235	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccc(OC)cc3)ccc21	100852128	CLFNCPSBAPJCFV-SEBMTOOBSA-N	616.791	7.611	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)ccc1OCc1ccccc1	100879160	YWZQNXYBJCBCTB-CIAFOILYSA-N	550.467	7.174	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3SC(N)=C(C#N)[C@@H](/C=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@H]3C2=O)cc1	101003394	HUSONRRFIFIIQC-QFIODRMVSA-N	536.440	6.190	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	103887377	UQPHSWBJPSTMQA-IUXPMGMMSA-N	550.667	7.842	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	103889919	CERWTVGRFFVTCH-QPEQYQDCSA-N	528.186	5.252	50	40	KKGB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NNC(=O)c2ccccc2Br)cc1	103921908	CMQPOJFFPZUYNU-JCMHNJIXSA-N	562.449	5.027	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(Br)c1	150368496	QPBOKYJCAKQGKW-UHBFCERESA-N	629.920	5.175	50	40	KKGB	
O=C(NN/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	150445313	GGLDDOKWWGTANZ-ULJHMMPZSA-N	641.027	5.622	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164697423	KNOQQYFKLACJKK-NDENLUEZSA-N	697.198	7.195	50	40	KKGB	
O=C(OC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	195996468	PMNQBQXKNGOCHF-QWWZWVQMSA-N	642.083	6.126	50	40	KKGB	
O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N/N=C(/c1ccccc1)c1ccc(C(F)(F)F)cc1	199413071	GXHFSCWVQGLVFU-MJPNWULPSA-N	515.535	6.719	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2OCC)ccc1OCc1ccccc1	408536598	ABMNZIPYHDOUBE-QRQIAZFYSA-N	597.111	8.150	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538337	LGFJTRZTOGODEV-YZSQISJMSA-N	569.057	7.451	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539502	IBGGOYUUYIRTDQ-MZFJOGFUSA-N	555.587	5.924	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408544439	WBGIVJMPNSTKEG-FMCGGJTJSA-N	512.949	6.325	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408554288	RJLOVQIRZPXEHG-LICLKQGHSA-N	574.848	6.617	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408659502	VWPGKEGJLQMGKZ-GPCRNXKPSA-N	726.076	6.662	50	40	KKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1	408691581	GLXHATNEIWKIIV-GRSHGNNSSA-N	508.803	6.647	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)c1	408744137	JHGKPNCQTKZRTO-ZDLGFXPLSA-N	746.124	6.934	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)c1	408744163	DHQYPMBFCWHRCE-ZDLGFXPLSA-N	668.244	6.558	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OC	408754313	QEENKPLZHVPZPX-NTUHNPAUSA-N	527.156	5.007	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408759396	DIVKTVPCZIJNEG-UNOMPAQXSA-N	541.423	5.388	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3I)cc2)c1	408762895	MZVMHIKENLBZJV-XMHGGMMESA-N	567.383	5.253	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(Br)c2)c1	408764187	LPGXROUQPOGACO-GZTJUZNOSA-N	572.393	5.069	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1c(Cl)cccc1Cl	408774141	AFAKNYYBARBROO-BOPFTXTBSA-N	593.248	7.121	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	408792562	KWMMGXSWZFHYDW-RQZCQDPDSA-N	580.693	7.933	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)cc1C	408805975	DGLJFHHBMDNXGI-RGVLZGJSSA-N	506.356	6.099	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408817463	UBKJQIPCNUPEFV-FYJGNVAPSA-N	608.863	7.540	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408821304	FYNDULHNTHYVBF-BUVRLJJBSA-N	607.921	8.749	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408831170	QDERZHPPZRUSRM-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408837917	PMUJVZFXYZQJCD-ATZGPIRCSA-N	721.855	6.798	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1cccc(C)c1	408842605	OWRGJSVXEWRGQK-VWJSQJICSA-N	554.594	6.494	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccc(Cl)cc4)c3C)sc3c2CCCC3)cc1	408842843	CFCMEPPFWKHWTD-VTNSRFBWSA-N	545.108	7.012	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(C)cc1	408844171	OTPRGLNDXMHNCK-ZHSUKTGHSA-N	680.490	7.099	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCC#N)cc3)cs2)cc1	408847054	SITPHNUGQMBYIW-WKULSOCRSA-N	546.450	6.291	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1Cl	408849963	BTUPDZXOHQRPDU-WKIKZPBSSA-N	513.775	6.200	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccc(C)c(Cl)c2)cc1	408856464	HILPDAXEDNDMDY-KBVAKVRCSA-N	586.110	5.023	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408863081	KTZXWGOVSOBPNJ-KCSSXMTESA-N	611.507	5.357	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2cc(C)cc(C)c2)cc1	408869360	CEWASVCEWVREQW-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(OC)c1	408872544	GBHMLOMVCBSDOP-KEBDBYFISA-N	629.407	5.028	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408885085	ZYGOMDCGIILJKB-VIZOYTHASA-N	524.276	6.019	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OC(=O)c1cccc2ccccc12	408886626	KVPFPKJMCDMOBJ-RCCKNPSSSA-N	537.528	5.920	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccccc1F	408889986	MEPKEGACUSNRAU-WOJGMQOQSA-N	513.338	6.251	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408898604	XIIVDDCWERUJIT-MHWRWJLKSA-N	521.809	6.269	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1ccccc1C#N	408904402	IYUYJPZITWGOEY-NUJZUDFISA-N	586.284	6.525	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)cc1	408925615	VCBBTZCERZIBSM-LGJNPRDNSA-N	626.232	5.556	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1	408940823	CZTZKZWOOOUYIE-MHZLTWQESA-N	810.452	5.360	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)NCCc1c[nH]c2ccccc12	408951639	MCWZUYCHEGBVEM-JCMHNJIXSA-N	547.396	5.617	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccccc2Cl)c(OC)c1	408952081	JVBMWHVALAXUDC-VVYBVRPNSA-N	858.855	5.857	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)c(OC)c1	408958370	YDRGGUQSFVDXAH-GPQOJQFPSA-N	755.420	5.391	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Cl)c1O	408971883	LKVIBRURBSSOMY-UVQKAKQTSA-N	578.880	5.396	50	40	KKGB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c2C)cc1	408980520	RRALARSXNLTTBJ-VVPZTHSTSA-N	614.768	5.919	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)cc1C	409020969	WIDMGLGETOGXOY-KKMKTNMSSA-N	590.259	6.588	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1ccc(C(=O)O)cc1	409023230	ZAUPLHMBCYYPKT-BVMLUPFRSA-N	578.419	5.202	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(F)cc4)c3C)cc2)S(C)(=O)=O)cc1	409027058	VMFMHWUHIRZPOU-FDAWAROLSA-N	532.641	5.272	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccccc2OC)cc1	409028030	ZWTVTXHZUUEEPA-UZWMFBFFSA-N	553.640	5.356	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1cc(-c2ccccc2)nc2ccccc12	409030050	BXXHAGBAHWCPGS-BIZUNTBRSA-N	536.429	7.007	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409030458	DIVJXYMYIPIAGS-KVAAJVFYSA-N	560.868	8.205	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	409056546	RUNDZOBNROSJNE-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)c(=O)c1C#N	409078393	CFZWRUITOOVHBV-INRUPRTJSA-N	701.199	5.745	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccccc1O	409110087	RBCFLNGZJWWKPK-NUJZUDFISA-N	539.495	5.691	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Cl)cc1	409132386	OIISSRSBOFRAMP-QHCPKHFHSA-N	527.802	6.004	50	40	KKGB	
Cc1[nH]nc2c1[C@@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c1)C(C#N)=C(N)O2	409133126	MPJXIXSDZIULQO-SFHVURJKSA-N	585.083	6.347	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1	409158251	KTOQKIJNHAAQMW-AMVVHIIESA-N	601.885	5.088	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4cccc(C)c4)c(OC)c3)cc2c1	409187138	MQHMQEIVEYQTIB-FDVSRXAVSA-N	584.410	6.096	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OCC)c1OCc1ccc(C)cc1	409237535	VDCHKJJKMLXDQA-MUFRIFMGSA-N	504.656	5.350	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409248596	DZTCSZLAIOZGCF-CIAFOILYSA-N	548.437	5.946	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1	409248899	FWJGCFKLRFRUTI-SRZZPIQSSA-N	597.307	6.069	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409253128	GDSGNGSNMCUFOC-UNOMPAQXSA-N	505.958	5.229	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409260291	OCNCFAHZJUHHOB-LPYMAVHISA-N	518.013	6.227	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)ccc1OCc1ccccc1	409262309	GQJDBQWKMCWTBT-WBIBEUCMSA-N	616.114	6.725	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccccc1Cl	409262737	JSUPAQCKBXOTNK-DLCNMLRHSA-N	660.981	7.751	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	409266960	SQGWQHUUMAHHMH-UHFFFAOYSA-N	525.482	8.297	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(Br)c2)cc1	409270820	RJSFCXBKTUCHKY-XDHOZWIPSA-N	613.306	6.482	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(O)cc1	409273450	YCPICTLSUNHEJS-OQLLNIDSSA-N	605.670	6.134	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409318320	UTYFCXLHELBNKW-LEWJYISDSA-N	562.475	5.119	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OCC	409320133	PFUOKULESGECOC-AQLQTECXSA-N	667.782	6.752	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1OCC	409325318	XTSFHPVHQMLPOG-WKIKZPBSSA-N	652.252	6.382	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409334866	NKOKMISEWPQRNR-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Br)cc2)Cc2ccc(Cl)cc2)c(C)c1	409369068	ZXSIMTAWYWVKKK-MUXKCCDJSA-N	562.917	5.369	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	409372070	FEDWYHHIJIKTQO-XAZZYMPDSA-N	635.285	7.111	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409382498	NTHQLLLHSPEXBC-GZTJUZNOSA-N	524.346	5.160	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396423	PYYSEUUMBBDWON-UHFFFAOYSA-N	660.510	7.457	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396850	BXQCVZHIIGHKSU-UHFFFAOYSA-N	598.615	7.278	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409398654	UZRAASGMWCCTOP-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398774	VRLRALZVADZGJU-UHFFFAOYSA-N	586.963	6.527	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc2c(c1)OCO2	409401976	IUTXINVAUOTAQR-AEVGBRMKSA-N	686.559	7.499	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCC(=O)Nc4ccccc4)c3)o2)cc1	409402293	JQOVTYZOLDYKHZ-GXBUFBABSA-N	562.626	6.048	50	40	KKGB	
COC(=O)Cn1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409404323	PUDRHSKTFNKNEP-ACXHZZMFSA-N	524.577	5.158	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(OCC)c1	1529548538	INZQZAXDMIBWLU-IZQZZFRNSA-N	716.054	5.965	50	40	KKGB	
Oc1c(CCl)cc(Cl)cc1Cc1cc(Cl)cc(Cc2cc(Cl)cc(CCl)c2O)c1O	1679798	PGSQWZBMZFWBJU-UHFFFAOYSA-N	506.640	7.423	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/C(Br)=C/c1ccccc1	2223058	GEIFZGOJXTWRNF-MLVFRXJUSA-N	519.424	5.016	50	40	KKGB	
COc1cc([C@H]2CC(=O)NC(SCc3cccc4ccccc34)=C2C#N)ccc1OCc1ccccc1	2294357	PLSOBVGSVZXNCD-AREMUKBSSA-N	506.627	6.699	50	40	KKGB	
N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(Cl)cc1Cl	3026127	IDEPQPGKOCFBMW-NRFANRHFSA-N	505.455	7.375	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)CCC(=O)N/N=C\c1ccccc1OCc1ccc(Br)cc1	8399480	HYRNGJILWWOWLQ-MBTHVWNTSA-N	528.834	5.859	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(/C#N)C(=O)N3CCOCC3)c2-c2ccccc2)cc1	9311041	HGKOQERFPPOGJQ-MEFGMAGPSA-N	503.602	5.976	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)cc1	13388132	LISALTATTZSBCI-SFQUDFHCSA-N	511.412	5.387	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1cccc(NC(=O)c2ccccc2)c1	20076244	VPJFDKDXSPEMIH-PPFNPFNJSA-N	502.618	5.651	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	23411070	UPWKODXTBBSBKC-STBIYBPSSA-N	519.554	5.039	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c1	36076635	MOCMVEDKBHFPHW-UDWIEESQSA-N	511.405	6.915	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1C	58915377	STFUPZDZYNCEFG-NDZAJKAJSA-N	514.651	5.133	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	59473291	JCFZOXBGTYVUOY-UXHLAJHPSA-N	501.007	6.615	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	97962654	ZNKGOTHPKLZBGN-QNKHSMSSSA-N	771.437	6.898	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)NN/C=C1\C(=O)N(c2cccc(S(=O)(=O)Nc3ccccc3F)c2)C(=O)c2ccccc21	97980548	DYOMMFOCLFJHHQ-VAMRJTSQSA-N	662.699	5.521	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)N2)cc1	98048665	DFGQKAGEGDVOHX-SANMLTNESA-N	601.050	7.221	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1cccc(Cl)c1	100063471	JEDJASKMOYGJOV-CCVNUDIWSA-N	580.704	6.536	50	40	KKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1	100133928	NVBDABQZLDZNGX-HWLOXFRGSA-N	579.660	7.891	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C)cc2)cc1	101237504	XMGRGHHDECHDHL-QIBQIDICSA-N	522.457	6.675	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OC	101392550	UARWLYZBAIPYOS-RUZDIDTESA-N	561.388	5.958	50	40	KKGB	
O=C(CCCCCCCC(=O)N/N=C/c1cc(Br)cs1)N/N=C/c1cc(Br)cs1	101656556	JQSRLGICFOIBNJ-CZGKVYIXSA-N	562.353	5.666	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)c1	102073896	BDXBQJJDNYPETK-ZOGCLFRTSA-N	547.287	6.193	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@@H]1c1cccs1	102718248	HYBQZCLNJVYZGL-GDLZYMKVSA-N	566.708	6.616	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)N1	102807473	BJWNKIYEUYYBFG-DEOSSOPVSA-N	557.434	6.432	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1OCc1ccc(Br)cc1	102932958	FVAGXQORVGKKGY-BOPFTXTBSA-N	565.773	7.255	50	40	KKGB	
COc1ccc(-n2c(SC/C(O)=C(\C#N)C(=O)NCc3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	103071875	HEIFJQRWNRPYSH-RQZHXJHFSA-N	553.688	5.985	50	40	KKGB	
CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528266	CMOHQCMNURTYAP-NSHDSACASA-N	600.241	9.060	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1	103896840	WYNOVFADHXVAEM-VTNSRFBWSA-N	586.928	7.115	50	40	KKGB	
CCCCCCCC[C@@H](Br)[C@@H](Br)CCCCCCCC(=O)NCCCOC	104109910	YYADWEWIARORIR-RTWAWAEBSA-N	513.399	7.147	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4cccc5ccccc45)C(=O)[C@H]23)cc1	112254692	MVVJESAHXZSFRN-IKJWIKAUSA-N	591.667	5.744	50	40	KKGB	
Cc1ccccc1C(=O)C1=C(c2ccccc2I)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N[C@]1(C)O	150390255	ZCPFJQJEZHDWEP-GDLZYMKVSA-N	700.396	6.417	50	40	KKGB	
CC(C)CCN(CCC(C)C)S(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N(CCC(C)C)CCC(C)C)cc1[N+](=O)[O-])C2=NNC(N)=O	158971671	OEBCVWIYOSVVDV-UHFFFAOYSA-N	765.956	6.070	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	162395593	AXGXUBHQJGXWCG-RQRWGXNHSA-N	673.113	6.339	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cc1	164777039	MVGOYVOGFDNCBB-XBQJKBNESA-N	640.762	5.246	50	40	KKGB	
C[P@](=O)(Cl)N[P@]1(Cl)=NP(Cl)(Cl)=N[P@@](Cl)(N[P@@](C)(=O)Cl)=N1	263621554	SBQOCTGVBJDWIO-RAUXBKROSA-N	501.707	8.096	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538493	NUPQGPONDCXYFB-YZSQISJMSA-N	520.585	6.407	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccccc1	408538979	SILUXTBLZJYFLD-YTJQMYRNSA-N	689.237	9.446	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552147	HQOBUJYHPILTHP-LZYBPNLTSA-N	611.117	7.609	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1nc2ccc(F)cc2[nH]1	408569260	ZUZONDBYBMZALX-RZNTYIFUSA-N	507.179	7.959	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccccc1I	408590896	RHBDSGPVIGWLPQ-FSJBWODESA-N	522.184	5.225	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OS(=O)(=O)c1cccc2ccccc12	408602781	DQHMNUMXHANKJL-PXLXIMEGSA-N	509.587	6.173	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408648580	WSAIGYDFSVFOMC-UCDDGIFISA-N	730.322	5.457	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408727166	YQUGATCHOCAOQR-PXNMLYILSA-N	613.666	7.385	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1ccc(Cl)cc1	408735368	OZGUJUGDDANABL-MHDJOFBISA-N	651.888	6.151	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)ccc1I	408746165	BWMTVEFDWDSULM-JFLMPSFJSA-N	523.374	5.624	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)NCc1ccccc1	408747937	VXWVCOBDSCZRDF-GRSHGNNSSA-N	654.673	6.352	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(I)c1	408756407	RDAXFGRYGUTKBM-PXLXIMEGSA-N	530.365	6.569	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408759878	NIKYVVRIWRTUEE-OSLARZAXSA-N	576.502	5.364	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OCC	408767094	VOLDNABARAQCJS-LDADJPATSA-N	512.347	5.787	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)C(=O)Nc1ccc(Cl)cc1Cl	408786614	LKHKRYKCYVSCKJ-KMKOMSMNSA-N	643.002	5.212	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408792664	BVKLVVLNOSHRMV-XDHOZWIPSA-N	522.355	5.881	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408793246	DOVRWCLZVSYWRD-REZTVBANSA-N	516.768	6.988	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(I)cc1	408795310	UZWVZHUHQVZJAH-UDWIEESQSA-N	664.281	6.728	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408811311	BGGKDAGTMARBEP-QRVIBDJDSA-N	537.443	6.541	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccc(Cl)cc1	408819154	ZTTHVIOADYUFMD-MTJSOVHGSA-N	602.856	6.154	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc2ccccc2c1	408820810	ZAGOVWDRTWDMSJ-IMRQLAEWSA-N	506.577	7.231	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OC(C)C	408823954	HAJUFANUOAOBGH-KGENOOAVSA-N	521.411	6.370	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC	408825779	FYYJNTOIFRONGV-XJECJHNESA-N	737.456	6.706	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408837226	AHUMQVQYIZEBNQ-JEPNHJGPSA-N	611.642	6.029	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2cccc(Br)c2)cc1	408841046	HHCKHBKXDFRROU-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408842069	IGVFIPMVFXUMPE-IPBVOBEMSA-N	537.255	7.531	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408853749	XQDNMTLJGMNKKW-KMUKQRDJSA-N	643.925	8.120	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccc(F)cc2)cc1	408861284	PUFQDZBZVFPJEQ-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408865775	FLYSEHVTMUDJOQ-KULFSUQXSA-N	751.483	7.015	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408867311	LLZHKBXXMDSHFF-KVSWJAHQSA-N	588.429	5.685	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408871292	YIDMUOFTHAUWMS-OXUBWTJQSA-N	572.257	6.765	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OS(=O)(=O)c1ccccc1	408881164	JYTFTIVTSUXBHC-SFQUDFHCSA-N	653.292	5.766	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408886416	GYIIEZSEDXMOCG-VCHYOVAHSA-N	586.420	5.296	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC(=O)c1cccc2ccccc12	408888195	SZRXHHOUDBTYEF-MUFRIFMGSA-N	533.378	5.603	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1ccc(Cl)cc1	408889250	BDRJUOJOUNAHPU-VCHYOVAHSA-N	586.826	6.543	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)c(Br)c1	408898408	KZKMOSRVAJMKQP-QGOAFFKASA-N	540.211	6.285	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408899254	OQHUBXDVNOCXBH-RIYZIHGNSA-N	674.256	5.828	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1cccc(C)c1	408922177	DSGRPANPRWCACU-QGMBQPNBSA-N	605.272	7.496	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2Br)cc1	408923378	IDGYOEKOILEHFB-LGJNPRDNSA-N	619.544	5.027	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12	408948697	PVMBYSSEJRSYKQ-HKBQPEDESA-N	630.170	5.536	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(F)cc1	408950223	RSIYAWDZJSCCOP-WJOKGBTCSA-N	616.715	5.018	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc(C)c1	408955147	SUFWDCGSCIZQMM-OYKKKHCWSA-N	514.025	6.373	50	40	KKGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1	408962351	HQZNPUSNQJORDO-KEIPNQJHSA-N	514.585	5.439	50	40	KKGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408973097	RZVZSJHXWRFXCH-HBSVRTSBSA-N	506.430	5.007	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccccc2)cc1	408977425	DGTZLJUFWISYAN-PLFABGOGSA-N	542.705	5.579	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccccc2)cc1	408977427	DGTZLJUFWISYAN-VMCVTNGESA-N	542.705	5.579	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1Cl	408981347	AMHSROBRTPCPJQ-NVMNQCDNSA-N	573.774	6.286	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12	409037318	MXSYHBUDRQMUGS-QIIRSOPZSA-N	581.459	5.542	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409091490	QVNKUBJTCNAMNY-KGENOOAVSA-N	528.521	6.277	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409129657	VOOVHRYZKZSHBP-ROPCREHHSA-N	678.982	6.625	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	409142730	CZMQFPOFECBWOJ-BIZUNTBRSA-N	606.542	5.678	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC	409149622	LLLAIPPQDQFOQY-ZCTHSVRISA-N	551.709	5.141	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)c(OC)c1	409154631	HBDCRNYAPSEVLZ-HIWRWHBISA-N	621.410	5.145	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409184449	LHDNPLFGRPHSSZ-WKULSOCRSA-N	534.509	5.378	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(Cl)c3)cc2c1	409187805	UMZLXBDVZOFOAC-DBFSUHOCSA-N	527.360	6.179	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1OCC	409219900	RMDSEERRVBICBE-JOLWIKQWSA-N	780.426	7.552	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccco2)cc1	409222201	BASCEQBIICMEOO-MBTHVWNTSA-N	577.347	5.186	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccc(OC)cc2)cc1	409225944	UDZGFTREISZWSV-PHWFBJKVSA-N	505.958	5.080	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1Cl	409252812	UABICFUSSMKHMC-RGEXLXHISA-N	505.958	5.310	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409260694	UUEMOBUWPBJMHA-AEVGBRMKSA-N	654.192	7.922	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409261804	BMROGUPCFDAFPT-MTJSOVHGSA-N	548.437	5.946	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1OCC	409319427	GAAWUUGDATXNRE-MWLSYYOVSA-N	501.410	6.524	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1OC	409320896	DDYARBXXWHHFJK-ZMFRSBBQSA-N	503.780	5.463	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Cl)c2)ccc1OCc1ccccc1	409325510	ZICYTQQQGQNUIB-CAQPMQTCSA-N	515.009	6.579	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])Cc2ccc(Cl)c(Cl)c2)c(C)c1	409370821	BKYWHFLCKIZYCF-QDTIIGTASA-N	563.463	5.168	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(I)cc1	409371111	BEXDVAGDTDEGRF-NVMNQCDNSA-N	638.199	6.456	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	409373122	PZQKWHOJKIGXQU-LUOAPIJWSA-N	573.817	5.035	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc2ccccc2c1	409374783	ZFQWQYROTGGPNV-OYKKKHCWSA-N	585.445	7.671	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	409388899	XRYPCCIWYXKPSO-AEUUOICLSA-N	626.138	7.306	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409390024	BOORWRMNSZCZOS-XAZZYMPDSA-N	695.726	6.844	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl	409395480	OBWROZHXOPILOZ-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409395665	QMAUSUCKLYOSRV-UHFFFAOYSA-N	677.349	7.360	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(I)cccc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409397245	HVJQMJVWBZGNRH-UHFFFAOYSA-N	737.934	7.019	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1cccc2ccccc12	409402673	KMEFQXOTXHFYEX-KCQOPNMNSA-N	653.779	8.889	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc(F)c4)cc3)o2)cc1	409403576	NLFMCYQNIOMXNT-FZKWRIDDSA-N	537.591	6.748	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1O[C@@H](C)C(=O)O	409405978	VPPOOWTZJRPSOH-IBGZPJMESA-N	610.461	5.653	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1cccc2ccccc12	409406673	XOBJSPJRXOXRTC-KDHRXPGNSA-N	613.714	8.161	50	40	KKGB	
O=C(OC(=O)C(F)(F)[C@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl	885164029	DGLKNPYJZVHBEZ-JQRWTQJCSA-N	941.753	10.959	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	1529544428	FSQUWYJKHHCPSO-LIICTPKDSA-N	716.452	5.676	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	1529548504	HTXBICPEBLFWMA-AQYQBHCBSA-N	677.610	6.611	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	1529548791	NXHXFTBBFRDLJI-LEAVVYHGSA-N	664.615	6.190	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(C)c2)c(OCC)c1	1529549167	UFXOEFCKGSHUNW-XQTSXZJRSA-N	695.636	5.620	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)C(C(=O)Nc3ccccc3C)=C(C)N2)c1	728999	KTIBEIHTNBZEQV-MUUNZHRXSA-N	542.636	5.849	50	40	KKGB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21C(C#N)=C(N)N(c2ccccc2C(F)(F)F)C2=C1C(=O)CC(C)(C)C2	1421938	LYFNGWQFGIOEDI-AREMUKBSSA-N	526.946	5.714	50	40	KKGB	
CCCCOc1ccc(C(=O)NNc2nc(-c3ccccc3Cl)nc3sc4c(c23)CCCC4)cc1	2214181	MLORTWGPGYEMBW-UHFFFAOYSA-N	507.059	6.826	50	40	KKGB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Cl)cc1)N2	6445802	VIKSXUJRLQLIDG-LVTPPWGZSA-N	516.406	7.195	50	40	KKGB	
CCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	8425173	OJPWKHHDOHXTPS-CIAFKFPVSA-N	571.350	6.411	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccccc2Cl)N1	12250720	FSFZVCWMKMAMBU-SANMLTNESA-N	515.038	6.047	50	40	KKGB	
O=C(COc1ccc2oc3ccccc3c2c1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	13113016	XERUQXZISOBMBD-UHFFFAOYSA-N	517.006	6.372	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1	13770776	XMJWKGKIPVBLOR-KVHSSYOWSA-N	512.393	6.197	50	40	KKGB	
N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1	20528810	BSMLWKFBNMAXHE-SDYGVVLCSA-N	500.429	6.655	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12	97962942	UOPXKJKCNAPMAR-YOMKSTHBSA-N	534.656	7.009	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1	100118617	DGURHBORBBXBNS-UXHLAJHPSA-N	579.520	5.587	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(C)c2)NC(C)=C1C(=O)Nc1ccccc1	102719354	ZNUPCAKCSFSPHT-LJAQVGFWSA-N	538.673	6.100	50	40	KKGB	
COc1ccc(/C=C\C(=N\NC(=O)c2ccccc2)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc2C)cc1OC	103847759	SIZCKXICDRTWFS-SZCOLUAYSA-N	543.605	5.968	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1	103897127	KOHIBFKLCWFIND-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccccc2Br)ccc1OCc1cccc(Cl)c1	105438850	CAJNQPLZODPLPK-CCVNUDIWSA-N	547.902	6.464	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)cc1Cl	106172586	UPNSILVUGPBDER-VCHYOVAHSA-N	538.456	6.939	50	40	KKGB	
O=C(c1ccccc1)c1nn(-c2ccccc2)/c(=N/c2ccccc2SSc2ccccc2/N=c2\sc(C(=O)c3ccccc3)nn2-c2ccccc2)s1	150382434	FUDAANNPEDSFGB-SHLALKERSA-N	776.994	9.907	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795434	FICUHSAPIWLMGE-HOTGVXAUSA-N	914.276	12.991	50	40	KKGB	
COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1cccc(Br)c1	226336940	DVCGJZUFEDSYID-AATRIKPKSA-N	507.549	5.420	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(C(=O)OCC)c1C	408546856	OLYONIHNLSFVLS-DEDYPNTBSA-N	539.053	6.190	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408551833	GLRKMUNXOLSECF-ZRGSRPPYSA-N	521.198	5.537	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408570584	WYZOBORFMQZQGJ-AMVVHIIESA-N	556.540	7.004	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	408642832	FHWIWUYUXLWKAL-BFNJWEDLSA-N	638.051	5.864	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408648182	JSHOKSXZVMLICP-YAYRTOETSA-N	818.129	7.537	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408657108	UBIDWKPIWJKRQE-UEXGIBASSA-N	556.273	6.060	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2-c2ccccc2)cc1	408743754	UXNUHGPQISODMR-QUPMIFSKSA-N	523.636	8.064	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(I)cc1	408743829	HOQWSLMGKSHPEU-ODLFYWEKSA-N	603.254	6.495	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Cl)cc1Cl	408766047	YVHIVSGZJWWPLE-BHGWPJFGSA-N	573.208	5.196	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1I	408766544	VJKHQWZVBMXGCA-PTNGSMBKSA-N	563.178	6.363	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	408785433	YWAHIMYORCZIAL-ZCTHSVRISA-N	572.484	6.101	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)[nH]c2cc1C	408786484	QVXVRRFYWMOQGO-HMAPJEAMSA-N	548.559	7.260	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408789003	GZUTXVNNLJKKEK-CIAFOILYSA-N	507.804	7.925	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)cc1	408793025	CVBWSTSXKGJTRI-WSDLNYQXSA-N	516.395	6.016	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cccc(C)c1	408794033	HOERPNAQEGEQSK-VXLYETTFSA-N	607.275	7.430	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Cl)cc1	408795890	NMVSYSVRGGAAJS-YZSQISJMSA-N	509.005	7.352	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408797045	FNNQHBJZSPEDFA-HMMYKYKNSA-N	528.362	6.635	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408797620	SDKVVOIYKYCDPC-REZTVBANSA-N	700.101	7.199	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408813766	YLZOGISEBUZADS-ZFJBLLOBSA-N	584.308	6.974	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OCc2cccc(C)c2)c1	408833515	RSCHDHDRSIJLII-MFKUBSTISA-N	573.476	8.014	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839073	MNLDUIXKWKYPDW-FJEPWZHXSA-N	577.891	7.994	50	40	KKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)c2C)cc1	408840832	CCQGYPNNROTOGY-HNSNBQBZSA-N	533.701	7.596	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(OC)c1OCc1ccc(Cl)cc1	408841731	KGGRICPOBVSBMJ-QNVXDBMFSA-N	615.077	7.568	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408843008	LDEFRUZPXOXMMJ-KCSSXMTESA-N	631.439	5.991	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCC(=O)OC	408843441	MSHGARMCRIIASN-XAZZYMPDSA-N	643.947	6.684	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1Cc1cc(C)cc(C)c1	408876246	ODVKWWJKIHTTFH-FSJBWODESA-N	503.440	6.828	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1	408880117	FVAOVIUWZSWRKG-MUFRIFMGSA-N	542.444	5.907	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OC(=O)c1ccccc1	408885996	CKFKQHOIHIFEIX-LQKURTRISA-N	550.352	5.436	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408887552	ROQBNSMLBVYZJX-VCHYOVAHSA-N	648.251	6.485	50	40	KKGB	
O=C(COc1ccccc1Cl)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408908388	CDQNYDMWGIBPHH-RPPGKUMJSA-N	646.650	5.657	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	408925879	UPABTBAVRZRLHY-XDHOZWIPSA-N	537.424	6.768	50	40	KKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408940952	VVIQLZNCHFCFMQ-IWIPYMOSSA-N	529.423	7.697	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(Cl)cc1	408949762	ITWXIHQVCKEVHQ-XKZIYDEJSA-N	625.894	6.669	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1	408952125	VMCBDFPPKYFEGD-MHZLTWQESA-N	661.995	6.111	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccc2ccccc2c1	408965411	HAYLLPUHSMZRCJ-KPGMTVGESA-N	593.396	6.197	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCCOCCOc1ccccc1C	408970226	CXSHPMPGBABICQ-JJIBRWJFSA-N	535.040	6.376	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCC(=O)O	408973064	RQMBZOZGQPCHCR-ZALYDFBRSA-N	728.367	5.105	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(Cl)cc1	408985675	XNKCKGBWHXZLHY-YBFXNURJSA-N	560.275	7.588	50	40	KKGB	
COc1ccccc1OCC(=O)N/N=C\c1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1Br	408995985	CJJOZVQMIFNYCW-KYMQWJLESA-N	647.147	6.644	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1	409007497	WWPKSSSJTPBVPR-GZAAPYGQSA-N	573.605	5.647	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2cccc3ccccc23)cc(OC)c1OC	409014260	HXWOFIOFZJGKSR-IWSURKIKSA-N	630.653	6.468	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Br)cc1	409020121	ZMBKENGFFYTXJE-AQHZKOCSSA-N	529.262	5.204	50	40	KKGB	
C#CCOc1cc(Br)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409033012	DCSUIMCXSWWYBA-RHANQZHGSA-N	514.379	5.449	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409042915	LNLAJNYGRZQZHL-QLQYKETESA-N	542.038	8.051	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409042996	PAENKGYDFJGCIU-RQZCQDPDSA-N	548.618	7.416	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409045722	HGZGIDKUKBEODE-FRKPEAEDSA-N	598.188	7.494	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1	409046292	JXBUVSMWVFIKQY-VCHYOVAHSA-N	588.227	6.262	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	409048094	RGGXDHLQHGZPKN-RGVLZGJSSA-N	540.255	6.953	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)c(Br)cc1OCc1cccc2ccccc12	409077161	DDACKFVZUJTOJZ-MWLSYYOVSA-N	503.396	6.262	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)cc1	409151447	GXCZASKOTQZXHU-WCMJOSRZSA-N	587.460	5.287	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409183421	CIOJZQORDWTDEL-QNKGDIEWSA-N	571.699	5.627	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409210479	KKSDHCRBVUQQES-MFOYZWKCSA-N	551.167	7.149	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)cc1	409254311	IFINJNNWIUIDFV-KGENOOAVSA-N	548.437	6.028	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	409255374	JVWTXKHHMAVUAF-FJEPWZHXSA-N	614.281	6.348	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl)Nc1ccccc1Cl	409261814	BRCMCZMZBPCODH-BCHBDCPOSA-N	555.643	6.191	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1C	409264697	PIWSVFZVVRTNHY-XDHOZWIPSA-N	520.383	5.335	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OCC	409301055	CLYRSFXSKLKBKS-UHBFCERESA-N	584.467	5.345	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2Cl)NC(=O)C[C@H]1c1ccc(Cl)cc1	409317358	PXJHMMMNRSYPGU-AWEZNQCLSA-N	511.228	5.466	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC	409322512	KENYPMAMAWZSEI-MBTHVWNTSA-N	527.415	5.516	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1OC	409336271	RHWBEWMGRVAXTM-DICXZTSXSA-N	581.872	5.432	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(C)cc1	409372711	HFTCFDKVNLVEFW-OKCVXOCRSA-N	533.422	6.271	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409384276	CHHAMOBGYHWJSV-AEUUOICLSA-N	642.137	7.006	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409385194	IIYIULJAWRQTFZ-IPBVOBEMSA-N	564.834	7.121	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c(O)c1	409391583	JXTLAUBEEPPDKG-RPPGKUMJSA-N	519.779	5.168	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395171	KPDRRDPCYNJIOS-UHFFFAOYSA-N	719.739	9.015	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396212	HAMFVIHAIQRMFR-UHFFFAOYSA-N	582.056	7.187	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)cc1	409396603	ZGYFLPYHNIMSEF-UHFFFAOYSA-N	503.558	6.135	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409396709	AIIJFRVVFMXAKD-UHFFFAOYSA-N	572.448	7.524	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)cc1OCC	409397170	HBJMFKTVEOYEKO-UHFFFAOYSA-N	612.082	7.277	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397469	KEQMTHSDEYADBJ-UHFFFAOYSA-N	649.872	7.085	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397586	LNOKBJCYWCLGOJ-UHFFFAOYSA-N	608.607	6.142	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(C)=O	409399043	XOUUBCLTVKTVHN-UHFFFAOYSA-N	561.594	6.060	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409400010	NBSDDJZCROWQMZ-VHFSBPNMSA-N	628.081	6.969	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12	1529545672	AJJOWVCEUVAHQJ-FBZJHIGRSA-N	687.616	6.066	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(OC)c1	1529548056	WKEPMULUBNMTCM-NJLXJUSUSA-N	717.642	6.075	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc(C(C)(C)C)c1O	1901097	HAVWRABFLCWQNG-WCMJOSRZSA-N	578.829	7.527	50	40	KKGB	
O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12	2096789	NKJWVDQLESBTKS-DPNNOFEESA-N	531.645	5.756	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CC[C@@H](C)C2	2276515	WLIGUPMRTXETTH-XDPMZMSMSA-N	529.445	7.162	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(SC)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2351776	CGPIHRNUTYQHJI-UXHLAJHPSA-N	545.734	6.205	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccc(Br)cc1	3232311	IARKYGIQAMGQSA-OEAKJJBVSA-N	519.439	6.898	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)CS/C(Nc2ccc(C(C)C)cc2)=C(\C#N)c2nc3ccccc3s2)cc1	3253486	XUEOKDLERIPYCE-ZZIIXHQDSA-N	541.702	7.054	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1cccc(C)c1	3255548	FBAARLSVIBRUGQ-SRZZPIQSSA-N	535.394	5.979	50	40	KKGB	
CCOC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	6089605	KNUBFFHFWORXOG-GGJIVPGBSA-N	543.472	7.464	50	40	KKGB	
CC1(C)C[C@@H](n2c(NNC(=O)c3ccccc3)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1	6232546	JZRAWIGCKRPZPY-QHCPKHFHSA-N	512.654	5.555	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	13161184	ISGOYJPUWILLMS-SANMLTNESA-N	501.652	5.695	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	13388023	OPZBFTBNWVBGHL-KPKJPENVSA-N	507.127	6.470	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C(F)(F)F	34701787	QHGMQJAQQPBNMY-AQTBWJFISA-N	501.302	6.593	50	40	KKGB	
COc1cccc(OCCOc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1	41078067	FNIVDFMDWLHFLJ-KGENOOAVSA-N	507.384	5.139	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)cc1	60028464	ZSZYCRSYYKHSJN-GPVZYABLSA-N	611.496	5.656	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccccc2)N1	97951899	UKGNNGNYADNVKJ-DEOSSOPVSA-N	523.536	6.249	50	40	KKGB	
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3cccc(OS(=O)(=O)c4ccc(Cl)cc4)c3)cc2)cc1	97957952	FJRAYXQPFHWNHJ-OQKWZONESA-N	608.097	5.763	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(OC(C)=O)cc3)n2-c2ccc(Cl)cc2)cc1	97959542	BEWFNLYDEQQOCP-STBIYBPSSA-N	550.040	5.154	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	97960765	BTMBQSKEXIYESY-ZVHZXABRSA-N	551.470	6.932	50	40	KKGB	
CC(/C=N/NC(=O)CNc1cccc(C)c1)=C\c1ccc(/C=C(C)/C=N/NC(=O)CNc2cccc(C)c2)cc1	100036282	FWRQXFYCCMOZEG-GWAJRWIWSA-N	536.680	5.538	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	100081304	RKAFUGMVKZZPKH-BIZUNTBRSA-N	607.574	6.326	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126382	ZEIXJZXUYDAYAC-KBVAKVRCSA-N	536.604	5.026	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)Cc2ccccc2)cc1	100129151	KWRVDLGRJUDCDN-MZFJOGFUSA-N	542.705	5.361	50	40	KKGB	
COc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1OC	100853197	XXXDQPBTZNVDDP-MNBJERMJSA-N	543.693	5.800	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cc([N+](=O)[O-])ccc1O	101023565	ILFOBGDXRYNQTL-MZJWZYIUSA-N	520.339	5.559	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl	102717956	WWAVRFPTDKMWJH-MUUNZHRXSA-N	559.091	5.733	50	40	KKGB	
O=C(NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1	102937607	GUGXBMVJWQFGLP-UHFFFAOYSA-N	529.884	5.216	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	105475621	CJESYWBXISTHOS-KKMKTNMSSA-N	538.225	5.873	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@H](Br)c2ccccc2)c1)c1ccccc1	139125222	IWCUOHKKHNYQLC-VPUSJEBWSA-N	528.402	6.483	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1nnc(S[C@H](C)C(=O)N/N=C(\C)c2ccc3c(c2)O[C@@H](C)C3)s1)c1ccc2c(c1)O[C@@H](C)C2	150362398	XOXIDXFOQLFJPV-OHZYWEJZSA-N	638.841	5.227	50	40	KKGB	
COc1ccc([C@@H]2[C@H](C(=O)OCc3ccccc3)[C@@](C)(O)C/C(=N/NC(=O)c3ccccc3O)[C@@H]2C(=O)OCc2ccccc2)cc1	150389640	XZIIAFVBBJPEML-PZJABXDJSA-N	636.701	5.144	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c(C(=O)OCC)c1C	150639643	HGSHUQJYZUKBGM-RGVLZGJSSA-N	660.970	7.132	50	40	KKGB	
Cc1c(C)c(C)c(CS/C(=N\[C@H]2C[C@H]3C=C[C@@H]2C3)P(=O)(c2ccccc2)c2ccccc2)c(C)c1C	169809441	WIUABJLTNQUZQC-IAZOEAGOSA-N	513.687	7.797	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2OC)ccc1OCc1ccccc1	408539096	SQOHIWFMDYZMPF-RDRPBHBLSA-N	562.666	7.414	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)cc2OCC)ccc1OCc1ccccc1	408539469	HXMLEPBIBNFJOQ-GZOMZLSJSA-N	671.510	8.187	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1ccc(C(=O)O)cc1	408542352	LBLQRSSSPBJFLN-ODLFYWEKSA-N	560.185	6.395	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(C)cc1	408551123	BPVRKXMWFIEBNW-RGVLZGJSSA-N	562.489	6.703	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408555049	VDRWHHQQYAYSRC-NVNXTCNLSA-N	590.217	6.227	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	408570853	ZJFBQISVNZMLOY-WKULSOCRSA-N	536.748	5.914	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408607425	CXDZTRILZCZVEN-WKULSOCRSA-N	530.408	5.459	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)Cc2ccccc2)cc1	408718020	CGZSXVYHIWGQSH-STBIYBPSSA-N	536.426	5.346	50	40	KKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccccc3Cl)c2-c2ccccc2)cc1	408730695	HCYCHPBBZYPWGV-ZXSNDDASSA-N	534.015	7.015	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1	408743727	UPQQEWQEKZCCIN-PXNMLYILSA-N	536.640	7.534	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1	408747178	KBQBLOOYEULLJA-UYRXBGFRSA-N	511.803	6.626	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408749226	LRWQLDDPEDFKBV-MZJWZYIUSA-N	620.572	5.776	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1	408766378	CWOVIIHHGLNQHC-JWGURIENSA-N	534.454	6.429	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408778382	SSHXCZUXUUNULW-NHFJDJAPSA-N	528.472	5.110	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccc(I)cc1	408784173	UATRVCYLFQBBEY-ODLFYWEKSA-N	501.751	6.596	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccccc1F	408787431	AARKCFDIBIBBIU-WOJGMQOQSA-N	511.347	5.817	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408788653	LYBWUALOADPIAI-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCC(=O)OC	408789009	HBUBFPZDHNWCQK-FYJGNVAPSA-N	520.969	5.415	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(C)cc1	408790296	ORMJVBOSRVRGCX-VXLYETTFSA-N	522.355	5.799	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(C)c(C)c1	408805903	IEWHDJNCMBXJNE-FSJBWODESA-N	566.439	6.658	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cc1	408811977	MHYKLLSKNIQWTJ-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1	408819361	QIONILMFTGYMKX-UWVJOHFNSA-N	555.812	5.642	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c(OC)cc1Cl	408831995	QPZMZYDTHDCQSP-DEDYPNTBSA-N	543.963	6.543	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OCc3ccc(Br)cc3)cc2)cc1	408834490	WGVHSRTVIKOTMH-NLRVBDNBSA-N	553.456	7.461	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408845971	WZAJUXDKYATNDI-RVDKCFQWSA-N	796.778	8.040	50	40	KKGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408852023	PTQBENXUHPZSPT-YKQZZPSBSA-N	532.438	6.386	50	40	KKGB	
Cc1c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccc(Cl)cc1	408857281	NMAYZVUNXGBURE-NUJZUDFISA-N	520.814	6.924	50	40	KKGB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1	408860027	XHCCREQEQXZOKP-PPDIBHTLSA-N	528.790	5.807	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408860583	ZECPAZDJWRWOBA-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1	408878288	ZPRPGBYZZSIZBX-VCHYOVAHSA-N	578.328	6.443	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(C)cc1	408882069	PACQJMCWIRGWRV-RGVLZGJSSA-N	514.931	7.191	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c(Br)c1	408895575	NIAFMBAKKPTHRC-RQZCQDPDSA-N	684.020	8.170	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1F	408896369	NCADSFCBWOHMOU-LUOAPIJWSA-N	526.189	6.247	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1	408944575	JAVKGNRNLZDGLG-MUUNZHRXSA-N	672.001	5.567	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(OC)c1	408946322	MFQRWKAXPGXMBH-NDEPHWFRSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)c(OC)c1	408953584	MDWHKBHWKNYPST-VVYBVRPNSA-N	748.400	5.658	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408955240	OKCOGDOJOLNUSF-ILBQVMEMSA-N	754.849	6.717	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cccc(C)c1	408995876	FLAVBFUUBBCOFD-HNSNBQBZSA-N	600.469	6.392	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc(Br)cc1	408999443	CVKJHYSAZWTOOW-WKULSOCRSA-N	611.246	6.040	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1cccc(C(=O)O)c1	409021498	KLARECHAEFPGAZ-BVMLUPFRSA-N	533.968	5.093	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	409034047	GXTDNIYKIUTSMG-OCSSWDANSA-N	624.504	6.886	50	40	KKGB	
Cc1c(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409035189	OXSPSYMGXSYTPK-MZJWZYIUSA-N	523.228	6.499	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1	409044440	CWHOXSSKZHJBML-VIZOYTHASA-N	599.081	7.782	50	40	KKGB	
CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1	409053367	CCJOGIQAGFUJCA-OQLLNIDSSA-N	522.193	5.333	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)c1C	409069426	IXYZWQBDVNNIDU-WOJGMQOQSA-N	590.293	6.142	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409082841	SYMUHYBJNTUBCS-OVCLIPMQSA-N	625.195	7.785	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409086796	BFYRMBHJZFSBFI-RIYZIHGNSA-N	529.292	6.156	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccccc1Cl	409103760	FQWLTNJMDGHGPW-XMMPIXPASA-N	541.785	5.637	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc4ccccc34)cc2)C2=C1CC(C)(C)CC2=O	409141284	UXTFXYFDXDKVBP-LJAQVGFWSA-N	507.634	5.801	50	40	KKGB	
O=C(OC(c1ccccc1)c1ccccc1)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	409177360	FIESQBCVMHINPW-YCAMKHIRSA-N	597.303	6.059	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12	409182917	PJFDIYHTLVCHPH-SSNNYSEQSA-N	630.531	7.042	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1ccc(F)cc1	409187288	OLIWRBDGFDRKJL-LJUMEUDFSA-N	502.542	6.051	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)cc2c1	409187983	WDPQODMOLRVIQA-DBFSUHOCSA-N	606.698	7.353	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409216834	OURQWNQCVNMAPM-VFLNYLIXSA-N	594.890	5.900	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(C)=O	409220357	XUNRIAUTPZKLJW-FZKWRIDDSA-N	600.027	5.438	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409224195	KAZNEAFHGGYFED-SSECMZBISA-N	761.210	8.062	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	409226130	OZBBRRYTDXVVGP-ZMGVVAQMSA-N	591.407	6.445	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409259638	BUKUGFWOSFIKGF-ODLFYWEKSA-N	615.855	6.133	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	409261506	DJRVEHMXLUIMHT-WWTGGXICSA-N	571.269	5.294	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OCC	409318377	VCIXYANSJLGUBT-UHBFCERESA-N	544.435	5.962	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C)cc2)cc1OC	409323534	PVUFUZNIMLAGPM-NTFVMDSBSA-N	509.400	5.674	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)Cc2ccc(Cl)cc2)c(C)c1	409370553	AGRKTGSNPUVRBX-APTWKGOFSA-N	576.118	6.399	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1ccc(I)cc1	409372189	FSUDMNGMIAZCDB-WCMJOSRZSA-N	706.318	6.799	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409378806	RSLRZFJXZNBSFS-MOSHPQCFSA-N	564.436	5.728	50	40	KKGB	
O=C(NNC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409384138	BIEPNGAIGFLNTF-UIOOFZCWSA-N	766.003	5.927	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409395609	PSOCWFDJNPUVCU-UHFFFAOYSA-N	765.083	9.412	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cc(C)cc4c3-c3ccccc3)cc2OC)cc1	409397537	KZORZYKXBDNNAR-UHFFFAOYSA-N	547.611	6.452	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397736	NJBMOLMWDHXBRN-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409398513	UCOQEUBHPNKDRL-UHFFFAOYSA-N	582.012	6.517	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)OC(C)C	409399889	ADMWKGHIRDBNJR-UHFFFAOYSA-N	594.064	6.022	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2F)c(Br)c1	1529546563	GAWFUSQARXXSEG-UUTVKSQHSA-N	655.546	5.052	50	40	KKGB	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	1391549	CPVSAXZPXNWXGA-UHFFFAOYSA-N	560.335	5.187	50	40	KKGB	
Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)c1	1790138	LVVZQPWDVRCRGJ-YDYXIROLSA-N	536.426	5.962	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)C(=O)N[C@@H](c3ccc(Cl)cc3)N2c2ccccc2)cc1Cl	2670610	LDVFBZFBOOEGCD-XMMPIXPASA-N	523.445	6.044	50	40	KKGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1	3202352	MNNJYOMYEMYVHJ-UQRQXUALSA-N	526.662	5.951	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccc(Cl)cc1	5948511	XJKXBFGHDMZRDH-OCSSWDANSA-N	552.856	6.635	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	12464093	BJAHFEOAPBSBSU-PKAZHMFMSA-N	521.002	5.437	50	40	KKGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)CSCc2cccc(Cl)c2)c1C	20243664	FXPCLVWHLVEJBW-RPPGKUMJSA-N	504.881	6.202	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)NC(C)=C1C(=O)Nc1ccccc1	33354350	CCODTNBAUPUCRF-NDEPHWFRSA-N	603.542	6.554	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)c2C)cc1	58915383	VFHUSKQMMDPFIO-NDZAJKAJSA-N	514.651	5.133	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	59332982	IDRLWXZRJKPTPT-UCQKPKSFSA-N	517.416	5.700	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)cc1	97951254	ZWUMEXSQESJQMP-HKBQPEDESA-N	549.696	6.629	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(C)cc(C)c2)N1	98048611	VJLWNDCIMIXKDE-SANMLTNESA-N	567.498	6.910	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048746	DDHZYAGGHKOKSR-MUUNZHRXSA-N	554.672	5.724	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(OCc2ccc(Br)cc2)cc1	100056376	CMZNMFHFAKOAHK-QXUDOOCXSA-N	565.467	7.524	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1	100118671	XZEXGQRGWDMNNI-UXHLAJHPSA-N	535.069	5.478	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3[nH]nc(C)c3-c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC	100128568	ILDPNGZSBGCWML-SANMLTNESA-N	544.055	5.997	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100220801	USVXIQGKEHBJRQ-ZCTHSVRISA-N	565.095	5.492	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1OCc1ccccc1	100858948	HUMQWNBOHCTGHT-FMFFXOCNSA-N	569.731	6.589	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100867337	JPLMSLWARUIZFR-JSIHEXFSSA-N	538.854	6.167	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	100878803	NALJZUBLIDNHSY-MHWRWJLKSA-N	514.821	7.500	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1	102438452	JIXMRXUJMGLENG-VYUMYAIBSA-N	596.845	7.731	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	102807838	BCOUTDPZQQRFKD-LJAQVGFWSA-N	534.641	6.448	50	40	KKGB	
CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528329	CKPASNHKFRKQAA-LBPRGKRZSA-N	614.268	9.450	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1	103754355	QRRFFLGPZQBTRB-QNKGDIEWSA-N	543.652	6.828	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2)CC1	103884864	FURPCMMHLREJPU-DIBXZPPDSA-N	552.472	6.437	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(Cl)cc2C)cc1	103897017	AJDRUBFNRTZPLH-IBBHUPRXSA-N	590.916	6.869	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc(C(=O)O)cc1)=N/NC(=O)c1cc(Br)ccc1O	104316880	VPWRLQMFARGJGI-WRPYJIPYSA-N	618.448	5.371	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccco1	112254614	YYIJQTGTXOQIRL-LGJNPRDNSA-N	528.200	6.301	50	40	KKGB	
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)Cc3ccc(N(CCCl)CCCl)cc3)[C@@]21C	150361387	YHPXZUQZLHUBSP-RRMLXYRRSA-N	908.876	10.633	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	150385553	QUKXTFQVRHTUBY-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
CCCOc1ccc([C@@H](O)[C@@H](CC[C@@H](CN(CCCl)CCCl)[C@@H](O)c2ccc(OCCC)cc2)CN(CCCl)CCCl)cc1	150405647	VOTQFRADSFRZND-DCSZGZOJSA-N	694.612	7.603	50	40	KKGB	
CC(C)[Si](O[C@H](CNC(=O)OCc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)O)(C(C)C)C(C)C	169909997	QZLBJPHMNRGKEP-GOTSBHOMSA-N	538.758	5.842	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2)ccc1OCc1ccccc1	408538825	CEXJAQSUHKFNQP-DXJNIWACSA-N	525.561	5.915	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1Cl	408539364	VYSMQLFDGQQTSH-MWLSYYOVSA-N	518.510	7.929	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408540062	MKMOTZZUQAHIGU-WPWMEQJKSA-N	534.612	6.716	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc(Br)cc1	408541858	GGETYONEYLYHGE-JAIQZWGSSA-N	557.238	6.952	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c(C(=O)OCC)c1C	408546466	JUQBWZMDQAZUHU-KOEQRZSOSA-N	590.701	7.285	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408570742	XYNAMVNNFXNMJC-VFLNYLIXSA-N	656.849	7.452	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408638638	CWHGSOABLLZLOD-LFUWLEDKSA-N	535.855	5.652	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccccc1Cl	408725489	QCMINASMXYREOD-DIHVBJPZSA-N	505.840	5.967	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408749398	NZYUDDILHBVAKJ-JFLMPSFJSA-N	561.454	5.005	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1	408756412	RTGPIQJEFAAXRM-HMMYKYKNSA-N	503.942	5.080	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc(Cl)cc1	408766261	AXBOXUCAKMOVDK-ODLFYWEKSA-N	515.734	6.286	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2C)ccc1I	408780444	YPFGOXWSYUDFEB-WQRHYEAKSA-N	515.782	6.206	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408780981	PDFPEYKAPFMBNF-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccccc1Cl	408781667	COCCPPOQYRHIAY-JAIQZWGSSA-N	525.830	6.853	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408788831	MHJPBZLLWJPVGU-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408791563	YTAWWBOJDHCBLU-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c1	408799340	YPRXVQWNDPAKDI-CAOOACKPSA-N	689.118	7.636	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1	408804938	HLZJHWNPDNWQHW-HAVVHWLPSA-N	510.977	6.795	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc2c(c1)OCO2	408810394	KJCILJRRSHQSPV-ZDLGFXPLSA-N	539.357	5.840	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)sc(C)c1C	408816302	LDQUNGFXMMIVTN-PPDIBHTLSA-N	542.455	6.222	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1	408819332	QDCGUMTWFBJGCK-VTUIABHFSA-N	544.611	5.321	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408824316	HXRKBGJKUWESTK-JJIBRWJFSA-N	539.975	6.952	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408826321	JCAQDMMPLVIBCL-BUVRLJJBSA-N	635.917	8.344	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408835285	YFXYLUCTGZJBCC-SRZZPIQSSA-N	677.209	9.766	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccccc1Cl	408839433	SDPNRPBAJRAXJF-IZYHBKOJSA-N	676.036	9.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408840616	ZODUSCHBYFLDCQ-XJECJHNESA-N	677.522	7.750	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408840663	ZSRRCQANUJHZFQ-MHDJOFBISA-N	625.306	7.300	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408840944	DTOSEQXSKSLSPF-KKMKTNMSSA-N	515.473	5.767	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cc(Cl)ccc2C)cc1	408860986	KGSMLZXMNOFDKN-VTNSRFBWSA-N	567.086	5.849	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1ccccc1	408867617	LZJINZRAIVFGJS-WSDLNYQXSA-N	551.437	5.667	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1Cc1ccccc1Cl	408870854	XRRVQSQVADMTIO-YBFXNURJSA-N	544.276	7.600	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(I)c2)c(OC)c1	408874235	AIKVCYKWERSYDT-WSDLNYQXSA-N	568.411	5.419	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408879214	BHYYOBILCCOQEL-RQZCQDPDSA-N	521.322	7.145	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c(Br)c1	408880012	GOMTXEGMOKMXSW-CPNJWEJPSA-N	526.228	6.645	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408883265	SLLAMMVYHBFDEI-RIYZIHGNSA-N	674.256	5.828	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OCc1ccccc1	408886637	HSSCOTONEFQVNB-WOJGMQOQSA-N	554.340	5.123	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl	408887096	NVULYEOAGMEDJG-BRJLIKDPSA-N	565.751	5.204	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)c(Cl)c1O	408905632	ZZMQLANISHHFHY-WNFQYIGGSA-N	505.594	5.433	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)c(OC)c1	408952484	KMFLMIHYVRHDBA-HVJLQFNCSA-N	811.855	6.015	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1	408957567	VBVOFSHQAHMZAR-ZMFRSBBQSA-N	503.780	5.463	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1	408970082	AEBPHYFKYBIQFY-GNIGOSDJSA-N	590.507	6.218	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1	408971429	OJVLLGJPEBERFN-MKLXCSEFSA-N	648.587	6.925	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)C(=O)Nc1ccc(Cl)cc1	408990594	LCVJYSLRDIVGIZ-DTQAZKPQSA-N	583.050	7.040	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(I)c(O)c3)cc2I)cc1	408994545	GOMLRSSCSDWKHL-NSKAYECMSA-N	768.083	5.247	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	409016581	QKNXGNLKQJLETF-BOFRWQFNSA-N	530.452	5.930	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl	409028823	UIULQZHQIHRXQB-BSAWEUQCSA-N	599.540	6.498	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1Cl	409030630	GYICUTHIOBOVBU-QMRORBIVSA-N	635.345	8.323	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	409037001	MOULGXDJVBDYJP-XDHOZWIPSA-N	570.001	5.295	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409070688	DOHMRLSMXYWSPZ-LDADJPATSA-N	666.877	5.443	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409080123	LRFLRXFDOWYMSX-WKIKZPBSSA-N	522.226	6.036	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1	409117033	MWHFBEZCDXJFPD-DFKUXCBWSA-N	527.646	5.171	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409128427	FJBBLAXOQLOFHA-QFIPXVFZSA-N	518.194	6.259	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409142225	CLZXSTBOBNPJCS-LUOAPIJWSA-N	674.660	5.550	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OCC)c2)cc1	409153208	LUTWYQJQRYNPGI-VTNSRFBWSA-N	601.487	5.677	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc(I)c1OCC	409155986	SHNAMWFSNSTGRR-AFUMVMLFSA-N	563.417	5.166	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409187766	BSVHXDAZJHRKNQ-CCVNUDIWSA-N	500.382	5.482	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)Nc2ccccc2)nnc1-c1cccc(Cl)c1	409191686	KSOIWPHHJQGOEE-CPNJWEJPSA-N	530.997	6.223	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccc(C)cc1	409223103	GJZLAROMTJPYKN-UHFFFAOYSA-N	576.436	6.546	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409223699	HTKJGDWIQLWKMY-UHFFFAOYSA-N	655.730	7.100	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1	409224010	JXCAHOXKVNKLPH-LJUMEUDFSA-N	572.961	5.492	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409225456	PXBRITPFJASKKJ-UHFFFAOYSA-N	566.397	6.221	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1ccccc1	409236034	RGIPLYFRPSPZPW-VBNMEBLOSA-N	513.794	6.605	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409245973	BUYJNLYAFUYFBO-MNDYBZJGSA-N	501.385	6.141	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409254714	JFWTYHPMGBQTDF-FZKWRIDDSA-N	591.693	6.652	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409258855	XYKDOVWVVPWTSU-VYYCAZPPSA-N	530.806	5.283	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409259816	FZAQRJMEUONQFI-IZYHBKOJSA-N	640.165	7.614	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409260175	MAIPGWZNSCZQSV-HQDYHJHZSA-N	656.562	7.106	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409265002	NECLROXHMJBBCK-MUXKCCDJSA-N	636.284	5.542	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1OC	409305692	WRDHBZPKKGJPCN-VYYCAZPPSA-N	562.258	5.962	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccc(C)cc1	409310097	QHFHZOKTNVDHNI-ZXSNDDASSA-N	538.644	6.714	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OC	409311756	HQJVUMSMMSRPML-QDTIIGTASA-N	516.381	5.100	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC(=O)[C@H]2C(=O)OC)cc1Cl	409312660	GFENFYIDKICBNZ-UXHICEINSA-N	602.418	5.521	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409317425	QLVFCZIUXPXHDZ-UHBFCERESA-N	529.420	6.308	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409319178	BPHYPGHRYLAWAF-QMRORBIVSA-N	613.925	7.976	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl	409371735	HBEHDOBOYIUKLR-VYYCAZPPSA-N	546.805	5.681	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409371853	AAOJIZWFDKIIMJ-FABQOPTDSA-N	563.481	7.625	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1cccc2ccccc12	409374699	WZYKSSBRSKRRCQ-HYARGMPZSA-N	524.418	7.520	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)ccc1OCc1ccccc1	409379859	AEVKBMMKOKFPSS-KMUKQRDJSA-N	618.086	6.116	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1	409390485	DERGJUDZWGIHJQ-IBBHUPRXSA-N	508.405	6.296	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)cc1	409395390	NCMRNZKFWPGNJJ-UHFFFAOYSA-N	552.428	6.889	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409395778	RPRJWBKIKKYUDV-UHFFFAOYSA-N	662.924	7.260	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409396651	ZSKYVRXJURJKER-UHFFFAOYSA-N	710.766	8.213	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409396707	AHIYXTWYVOAJMS-UHFFFAOYSA-N	607.022	6.277	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409396899	CQKDSHGPOHYXMF-UHFFFAOYSA-N	521.548	6.274	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)[nH]c12	409397176	HCODKYQKBOVLRH-UHFFFAOYSA-N	586.475	7.696	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)c(-c3ccccc3)c2c1	409397297	IKKKNAJPSXCBHA-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409400265	CJMBMSZWDZKNDO-UDDRSKGWSA-N	535.644	7.361	50	40	KKGB	
COc1ccc(C(OC[C@H]2O[C@@H](N3C=C[C@@H](SCCC#N)NC3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	675038111	MSRHXMSVMVEXQC-JZPVOVDPSA-N	731.988	7.000	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1	1790490	DVXZWAZNHXJXBL-HVBJHMBASA-N	542.875	6.389	50	40	KKGB	
COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1	1834780	UDVLAZOVFBQGBI-SUOQOJQUSA-N	548.466	5.613	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1	2697510	ASTGLGVYCZUBEE-OCSSWDANSA-N	508.603	5.098	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)Cc1ccc(Br)c2ccccc12	3092430	SGKOSNXLQCGMFU-BHGWPJFGSA-N	555.064	5.829	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3O)c2)cc1	3112150	XJUKZBLNHUXRFV-BRJLIKDPSA-N	531.204	5.242	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1OC(=O)c1ccco1	3374064	ZSUFMXAKLRPTFP-UXHLAJHPSA-N	506.518	5.124	50	40	KKGB	
O=C(N/N=C\c1ccccc1C(F)(F)F)c1ccc(COc2ccc(I)cc2)o1	8399400	AVUIBLSHLHUTMO-GATIEOLUSA-N	514.241	5.246	50	40	KKGB	
N#CC(C#N)=C(C1CC1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12	9380743	VJZCKEQNVPBUPV-WPFAILKGSA-N	502.017	6.961	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N/N=C/c2ccc(Cl)cc2)cc1	9908340	GAIDFLGXXYNELR-OVRWREGLSA-N	519.989	5.016	50	40	KKGB	
C/C(=N\NC(=O)c1cccc(N/N=C(\C)c2cc(Cl)ccc2Cl)c1)c1cc(Cl)ccc1Cl	12569995	GNLNPTYJXMJFNA-JOFLXYQRSA-N	508.236	7.290	50	40	KKGB	
COc1ccc(CC(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(OC)c(CSc3nnc(C)s3)c2)cc1	97967638	OOQDCELLVTUNMY-MUFRIFMGSA-N	561.689	5.101	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(C#N)\C(O)=N\c3ccc(C(=O)OCC)cc3)N(c3ccccc3)C2=O)cc1	97968945	DKCPZYKAAGGIEI-HFVAWESISA-N	569.639	5.754	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1I	97972280	PFXQNDCKTRHNRX-UYOCIXKTSA-N	603.025	5.754	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)cc2)S(C)(=O)=O)cc1C	100119772	HAWIZDQZIXDBQJ-ATZGPIRCSA-N	597.568	6.748	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nnc(NC(=O)c2ccccc2)s1	102698839	XBNCGGVKBYLUBX-GXDHUFHOSA-N	522.340	5.785	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	103796081	WZAXSLWIYQPBTL-UXHLAJHPSA-N	579.438	6.229	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889449	SKXKAYVSMXSIBO-NSIKDUERSA-N	605.530	8.841	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	103889602	SBCGRPBUNUJKMI-NSIKDUERSA-N	561.079	8.732	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\Nc2ccnc(N/N=C/c3ccc(N(CCCl)CCCl)cc3)n2)cc1	104385398	ASNHZFHNZPSPTK-VHOJZIPVSA-N	596.394	5.937	50	40	KKGB	
O=C(O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	109776370	DKUKEXAUNLNCSN-KVSWJAHQSA-N	585.867	6.197	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC[C@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)CC[C@H](O)C[C@@H]2C[C@H]4O)ccc1O	118917135	ACWUUWIBURCOOJ-LRNORSGBSA-N	540.745	5.258	50	40	KKGB	
CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341546	JAWGYCOEOKCXEO-LBPRGKRZSA-N	914.310	13.262	50	40	KKGB	
CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341715	XSMHOCNIOFHFKN-HNNXBMFYSA-N	906.384	13.797	50	40	KKGB	
COc1ccc([C@H]2[C@H](C(=O)OCc3ccccc3)/C(=N\NC(=O)c3ccccc3O)C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1	150389647	XZIIAFVBBJPEML-NOMQFKJMSA-N	636.701	5.144	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	216063210	RQNBDBMFLUDMRL-MUFRIFMGSA-N	590.312	6.742	50	40	KKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](OC(C)=O)[C@H](Br)[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C	253617335	JGVYFYLJHISGAE-DIIJSMQOSA-N	511.541	6.540	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408552170	HTRFPMFTXZORTK-UHBFCERESA-N	506.389	5.857	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1	408566504	GZPVEMYLZVEERB-LQKURTRISA-N	542.417	5.579	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1OC	408583877	YCLPCFYFJOMIEO-GIJQJNRQSA-N	563.673	7.525	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408638161	CBOYLWPXPJPMBP-QKIGPUQLSA-N	714.065	6.806	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408643604	PVFXCBBSVVXGNH-BJESRGMDSA-N	754.215	6.856	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408657631	NGLYQPUPXKNZMS-RJVSTDCHSA-N	707.437	7.268	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408666968	ARVMZFQNFIKICF-ZYGGUILKSA-N	570.665	5.027	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(I)cc1	408676110	FKDOLLNRELPWPK-QQXSKIMKSA-N	512.395	5.063	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1ccc(N2CCCC2)cc1	408676208	GZKSRZSGLGFHKT-WKULSOCRSA-N	669.276	5.978	50	40	KKGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)OCc1ccccc1	408737289	NHTJWNUCCFUXTC-MXJZZWPJSA-N	614.294	5.386	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408754765	RMHLLIWLPKJTOJ-DHDCSXOGSA-N	548.360	5.224	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(C)C)cc1	408756481	VOPVDAYAANDLIZ-XFBJJFJZSA-N	508.427	5.015	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408763439	DYDNOGQVGVHQIP-XNTDXEJSSA-N	641.283	6.376	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408790269	OOZCZGMLERIPKE-ONNFQVAWSA-N	504.993	6.073	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408790282	OPVCBRPLBYHERQ-VXLYETTFSA-N	604.284	7.066	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1F	408791680	ASPAXNWRULWITM-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795952	NSTBSLWXIOMRIV-JJIBRWJFSA-N	529.423	7.697	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(I)cc2)c(Cl)c1	408799366	YULITRVWUHSWRX-XDHOZWIPSA-N	528.777	6.378	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1	408814139	QHLLXJQLFCRFFW-LSCVHKIXSA-N	536.242	7.111	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccccc1F	408820155	VQRUXNPTKNCJEH-SXGWCWSVSA-N	611.636	6.971	50	40	KKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1Br	408825092	ADUHOHLWDDJJEZ-XSFVSMFZSA-N	525.830	7.016	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccc(C)cc1	408827209	ICGNLUAXEQNQHI-KBVAKVRCSA-N	548.064	5.254	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1	408833205	WQGXDTZNKDEASI-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408843422	MNPCKGNMLYWOTJ-PTEHHBOZSA-N	657.362	8.750	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408853356	NYWRRBFEKDEPMI-KVSWJAHQSA-N	536.253	6.481	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(OC)c(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1	408856178	JDBSYMYSDBXMKT-XKJRVUDJSA-N	675.599	7.378	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408858091	JKZXVGWVXNLVQZ-WVKHYPTHSA-N	749.083	7.858	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc2ccccc12	408860087	YDXAVQPUUONOLO-CAQPMQTCSA-N	539.429	7.420	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccc(Cl)cc2)cc1	408860371	UGSANUMSQCJJEC-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408861584	SYILUTSXVHQEPC-RUMWWMSVSA-N	561.063	5.328	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(C)(=O)=O	408862184	GBMPWPWRHFTCJQ-PNQUVVCRSA-N	679.804	5.922	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cccc2ccccc12	408878585	CBMLQFHYPPKBLO-QCFMCPCVSA-N	544.607	5.844	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408887669	QHVNKZBTCQYLTJ-FSJBWODESA-N	509.525	5.147	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OS(=O)(=O)c1ccccc1	408888208	TXSIQUGLBHPESQ-FOWTUZBSSA-N	503.363	5.315	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc2ccccc12	408890543	VLJMPLGTPAUKPQ-UDWIEESQSA-N	552.255	8.034	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	408890567	VTPDPMVJPGXMAK-XSFVSMFZSA-N	506.911	7.637	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408892214	XWLKKOITFGHLCC-KGENOOAVSA-N	585.410	6.464	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1c(Cl)cccc1Cl	408892460	ZPYPCWJUHAXIRD-ODNPBWNPSA-N	599.599	8.355	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	408924593	KKRPJYNDSSQFLU-WKULSOCRSA-N	539.963	5.103	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2OC)cc1	408926719	XRHFWOMMJGQIMP-SFQUDFHCSA-N	636.318	5.851	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1	408946097	OVUINNKGOILDQQ-DBSPGSINSA-N	608.094	7.546	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccccc1Cl	408946397	MUFUSFJVCCUAFH-MHZLTWQESA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408952034	UZEWZSKDCQGOFD-HHHXNRCGSA-N	879.342	6.667	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1	408954520	XNEXCABDFKBSDN-DICXZTSXSA-N	519.355	5.593	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OCC)c2)c(OC)c1	408955887	PNAAKOKBVRVUNR-XZNIKZDNSA-N	792.627	6.151	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408971499	GLXBGONRXHHZHP-YMAAWBSISA-N	526.464	5.762	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)s1	408971598	JXHUWTMUJMEBSS-FDAWAROLSA-N	535.629	5.524	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)O	408973791	VFANUWBMTVTOPC-IVGMDIRTSA-N	681.367	5.263	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1Br	408978982	KQUBJYDKPNRJFG-TVYAFPLLSA-N	609.340	5.089	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1Cl	408983435	MDNHMYAKAHKTCZ-LSCVHKIXSA-N	560.231	6.887	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)cc1Cl	408986063	ZGHQCQMTALRUFV-IDUWFGFVSA-N	534.212	7.328	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(OCC)c1OCc1ccccc1Cl	409019659	WMULHSJWVASSJS-VHKCXRQPSA-N	606.163	6.415	50	40	KKGB	
CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	409030502	DOVLCPNFQKVDAY-WCMJOSRZSA-N	569.514	7.812	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCc1cccc2ccccc12	409031700	KIRZAHHNLARSPR-QNHWSJEBSA-N	591.711	8.525	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409033077	DKFAVLFTWXLSLN-ICUTVXMZSA-N	586.648	7.280	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409036021	KXXDPIWLAUQUCP-FZPRHHONSA-N	580.438	6.736	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OS(=O)(=O)c1ccccc1	409066457	LFZQNPTUAVAKTK-MHWRWJLKSA-N	628.366	5.632	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409073175	VIAFIHYJHPMVMM-GHRIWEEISA-N	500.935	5.191	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409076190	ZFSXRVAJACHTAG-OEAKJJBVSA-N	516.981	6.290	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409084987	YBMPKLADTZPOCF-OQLLNIDSSA-N	598.309	6.504	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1	409089742	JUHKBDMGLRUDCC-NTUHNPAUSA-N	540.256	7.397	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409113329	FNLYCIVTTZFZOV-QLQYKETESA-N	633.170	5.040	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C\c2ccc(Sc3nc(-c4ccccc4)cc(C(F)(F)F)n3)c([N+](=O)[O-])c2)cc1C	409114724	PWTQNJMUGJCYSR-UHIZKJEFSA-N	580.592	6.401	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c2ccc(F)cc2)cc1OC	409117854	OZKIVNGEPBDFQG-XJECJHNESA-N	676.550	6.083	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1	409158960	MECJMSYCLXZRKV-AMVVHIIESA-N	693.336	5.039	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)NC1CCCC1	409191464	IDLLUZYIWVBKTG-NDENLUEZSA-N	554.282	6.910	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)c2)cc1OCC	409218833	HMUPBCBGNKLJKG-UHFFFAOYSA-N	660.521	6.491	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc(OC)c1OC	409224203	IXURHBRNHHTYKH-UHFFFAOYSA-N	711.363	6.473	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12	409225874	RVWYUKJIZRGWRC-PSORJPDMSA-N	605.050	5.534	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409256012	NHFPTGWAJLPQHL-YSYOEVFLSA-N	674.610	8.267	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409260405	PWMMEBGBCIEGTH-QMRORBIVSA-N	691.007	7.760	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409262130	CTWZVOJPZVOIIT-AEVGBRMKSA-N	654.192	7.922	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1C	409263578	HXKFWCIUVMKKBJ-KULFSUQXSA-N	689.035	8.368	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc(Br)cc1	409269634	KYMXLXRJSROLSK-KBVAKVRCSA-N	649.367	7.022	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)ccc1OC	409311815	IJRCCSAQRIKJNR-MUXKCCDJSA-N	576.285	6.270	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)ccc1OC	409316525	YTFRBJKZDBHTOP-WGARJPEWSA-N	528.359	5.108	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1OCC	409333984	QFCFMPOHDHYXSJ-UHBFCERESA-N	622.887	6.484	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OCC)c2)cc1	409365275	UBSDFSBEFFGADH-CPNJWEJPSA-N	629.426	5.791	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409366514	VKUPXUTXTHIQCP-QDTIIGTASA-N	594.687	5.908	50	40	KKGB	
COc1cc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	409368346	YYIONHXXNMOXTM-DLCNMLRHSA-N	691.431	6.685	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1	409372740	IIIDDHMLTXNDJJ-WKULSOCRSA-N	533.378	5.652	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409376420	XYVNDYCVGXFRPH-YVLHZVERSA-N	528.367	6.094	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409379968	DIAFWUDAMCIFAX-KKMKTNMSSA-N	557.714	5.816	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1OCc1ccccc1	409387259	VKZOPDSICIZVRI-STBIYBPSSA-N	515.591	6.280	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)c1	409395839	SINCXBPRHIIIOR-UHFFFAOYSA-N	760.664	8.768	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)[nH]c12	409396661	ZUWRYLUBPXOYPZ-UHFFFAOYSA-N	711.197	8.521	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1ccccc1C#N	409402748	KVWOBAZJNXGCKN-LMOHNTGSSA-N	628.729	7.608	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)o2)cc1	409403349	MJODXFROZPQVMI-KMUKQRDJSA-N	580.616	6.187	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Cl)cc1	409405300	SRFCPZOAUSZIOP-UHFFFAOYSA-N	662.968	8.034	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	1529548019	VSHQUTJTQXVTTE-MUVJNMLISA-N	650.588	5.881	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	1529548863	ORRZPSZNOQRBAS-ROKSKZBTSA-N	808.449	5.426	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccccc3F)cc2)sc2c1CCCC2	1785185	BOVZYSHYWZVMSK-NZEOBHLKSA-N	537.613	5.113	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1Br	1864483	SNOBSBMOPBOJPG-KBVAKVRCSA-N	592.563	6.554	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)nc3sc4c(c3c2=O)CCCC4)cc1	1874123	OQNDLEOVCDSNOC-VFLNYLIXSA-N	557.528	6.184	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(OC)c3)NC3=C2C(=O)CC(C)(C)C3)cc1	9014843	KACOTXYAPNQVPH-VWLOTQADSA-N	503.624	5.141	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	13922307	BNGWFFBCKVSZPH-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)CNc3ccc(I)cc3)c3ccccc32)cc1	14134299	SXPVDYJQUCLLGN-CCVNUDIWSA-N	522.390	5.165	50	40	KKGB	
O=P(CCOCCOCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	33353927	UVRUMLHYLXYEGA-UHFFFAOYSA-N	518.530	5.048	50	40	KKGB	biogenic
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccccc2)c1	58915016	ODYNYYOGEBOQHZ-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Cl)c2)cc1	60028468	JUXOTTQWFWLUPW-ZDQDAFGJSA-N	567.045	5.546	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100081534	COKDXABUQLJTHF-BIZUNTBRSA-N	563.123	6.217	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2C)c(C)c1	100100437	QQKREPJNNGHZMN-LUOAPIJWSA-N	523.258	6.309	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccccc2C)cc1	100123159	SZEJTYFMIVZNNQ-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccccc1O	100178454	MHSWQXSMGWFFIT-HJOZPFKESA-N	547.998	5.012	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1	100239977	AHHPVJWYEIUWEF-AJBULDERSA-N	544.677	5.147	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100240128	GVDFPMNEYSNNED-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1	100379349	OGQQURIILKXWBS-ZCTHSVRISA-N	548.064	5.649	50	40	KKGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc(I)cc1	102134160	WLQSWTAEMCHRRS-STZFKDTASA-N	580.403	5.758	50	40	KKGB	
N#CC1=C(S)N[C@](O)(C23CC4CC(CC(C4)C2)C3)[C@H]([n+]2ccc3ccccc3c2)[C@@H]1c1cccc(Br)c1	102889238	WILQYOYRSQXGCH-SKZDPVAOSA-O	573.580	6.388	50	40	KKGB	
N#C/C(C(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl)=C1\Nc2ccccc2S1	102925773	LQRNEOCTFCZYLZ-KQWNVCNZSA-N	578.430	5.612	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1Cl	102933057	AOFHUIVIQDNCFQ-RQZCQDPDSA-N	591.245	7.187	50	40	KKGB	
Cc1ccccc1-n1c(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)nc2sc3c(c2c1=O)CCC3	103079376	PVSCXXSZXCFTLP-ULJHMMPZSA-N	528.684	5.859	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1F	103889931	UAGYPYOWMAOKGA-SXGWCWSVSA-N	597.211	6.870	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OC(C)C	104402236	LUKJOZVBRRLTDM-SSDVNMTOSA-N	531.188	5.004	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccc(C)cc2)cc1Br	150366050	ABFKUKNULGGIKB-MUFRIFMGSA-N	627.473	5.280	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(C)cc2)cc1Br	150462889	ZPZPEOBTNCVCBS-DPNNOFEESA-N	637.600	6.136	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	150490350	CSBHTBGDJFOONO-KBVAKVRCSA-N	654.543	5.427	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1	162430417	LEVZCSKYPMPMJM-JEPNHJGPSA-N	639.561	5.077	50	40	KKGB	
CC(C)(C)c1ccc(OC(=O)c2ccc([Si](C)(C)O[Si](C)(C)c3ccc(C(=O)Oc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1	253565240	HLYDJQGANUFGCM-UHFFFAOYSA-N	638.953	8.261	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408541294	FSYJFOOQWPXVEI-OYKKKHCWSA-N	517.412	7.742	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550347	GJABXSGSRGQVFS-CAOOACKPSA-N	526.420	7.069	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408552584	RBIQAQYNOYPSNR-AAPHRLRXSA-N	561.252	7.235	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)c1C	408554712	TZCZUEOKIAFTSI-ZDLGFXPLSA-N	573.274	6.936	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1	408718007	AYIYIPXVEKKBHI-WJWPHBLNSA-N	882.522	7.095	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NCc1ccccc1	408747779	SWCQLUFIQNRKBW-GRSHGNNSSA-N	571.225	5.922	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408762268	JVRHWUOMXBABFR-KPGMTVGESA-N	541.367	6.893	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(SC)cc2)cc1	408777890	LCMYCMHDDVXRGP-JFLMPSFJSA-N	552.505	5.460	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408778619	IUMSEXAFCYOJBS-PXNMLYILSA-N	512.231	6.165	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(C(=O)O)cc1	408788560	LCYYRJHQZCZYGI-YBFXNURJSA-N	555.812	6.324	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc(F)c1	408791377	WTSQWYTUATUSLU-UDWIEESQSA-N	509.375	6.420	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1	408795748	MYGYFPHKFYMVAD-LZYBPNLTSA-N	613.666	7.385	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408799034	XUJJYSYXKBZMNB-VIZOYTHASA-N	571.085	8.187	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1F	408799313	YVZKKZDKPYJUSN-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)c1	408827785	GYUWAFUXHGTWNQ-FABQOPTDSA-N	703.011	6.053	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408838873	JNZDOTDJIXCBSX-IBBHUPRXSA-N	622.884	7.146	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1	408841292	GAMUYAVSVFCTJP-DPNNOFEESA-N	584.053	6.799	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc2ccccc2c1	408844037	AVVXMXVPZATTMR-LJUMEUDFSA-N	543.417	7.090	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408845918	PWIDESBGTPQAJX-IZYHBKOJSA-N	646.552	8.151	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)c1cccc(C)c1	408846809	RINIZIBDIQKDCC-FMFFXOCNSA-N	551.599	5.638	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)Cc2ccccc2)cc1	408847541	SRZXGFGQRUYEMZ-UZWMFBFFSA-N	570.443	5.542	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408849389	WKKAAPJKRVGLHB-DBSPGSINSA-N	598.530	8.501	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc2ccccc2c1	408849453	YSTOMVMQMAETOT-JOXMEQDKSA-N	759.069	9.707	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)o2)cc1	408849816	ZHXSBPPCDCJAFH-JCMHNJIXSA-N	580.493	6.832	50	40	KKGB	
COC(=O)COc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408849847	ZRRWVLWQSHZTBD-ACXHZZMFSA-N	719.317	5.978	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408850774	QXFAFUGVQHUNKN-PQKVGRGHSA-N	693.439	9.474	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(F)cc1	408851968	OKQQINCBVMYIJX-UVHMKAGCSA-N	562.417	5.717	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408853903	ZLZIVLIPKMMAQE-ZMGVVAQMSA-N	576.878	7.599	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1	408856555	JBPYLJOTWMTXAI-YKQZZPSBSA-N	535.516	6.293	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408863045	KNAGQHAUSRCUBB-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cccc(Br)c2)cc1	408863795	UJPNQKCYTZVMHC-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	408877649	XCAZKJGQNYWMTB-CCVNUDIWSA-N	547.833	5.400	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408888609	XVESOFWUUKMCAW-NHFJDJAPSA-N	528.583	7.683	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Cl)c1OCc1ccccc1Cl	408890095	NQUUSRUXRWFBKT-VCHYOVAHSA-N	542.375	6.434	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12)c1cccc(I)c1	408895417	KHQXNLDTLOJMDQ-JVWAILMASA-N	520.326	5.428	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1Br	408897160	WMWINEAKBADACT-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(Br)cc1	408904834	PFUDVHFJXDONSY-QDTIIGTASA-N	617.250	6.608	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905193	UYMRBZQPNSTSBG-ZRGSRPPYSA-N	528.746	6.100	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)ccc1Br	408905233	VNEPRRYOBDMLKL-LGUSAWBASA-N	712.007	8.166	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(F)cc1	408922149	DMOLJOAWVLOQRL-OKCVXOCRSA-N	521.386	6.483	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)c(OC)c1	408926126	XSYAKMWAZXERAN-JRAMAACCSA-N	764.457	6.462	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	408938966	ASXOXXPYEQPBAE-HKBQPEDESA-N	664.615	6.190	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408962123	GVAMTWVAZMLTGH-KNBZMSCYSA-N	623.196	6.968	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	408972569	VHXKSOZOOBQPBX-YAGQHGIQSA-N	506.474	5.739	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)c2C)cc1Cl	408980217	PWOINGNYKHDMPC-GJDHUYHKSA-N	539.076	5.616	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1F	408984432	QXGAELZQZXFGKD-ZDLGFXPLSA-N	529.793	6.683	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccc(Br)cc1	408993709	XDPSSYSSYZOKIM-MVTHDEHNSA-N	620.504	5.138	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020885	VDLIHTAALGZDMY-AQAGRAQRSA-N	776.526	7.783	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)cc2)S(C)(=O)=O)cc1	409024553	DMQKHUJPAQYNKR-VTNSRFBWSA-N	583.541	6.439	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)cc1	409068330	RYOUFPKFKSOEMT-SFQUDFHCSA-N	517.390	5.705	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)c1nc2ccccc2[nH]1	409070129	NAXXEHWFYGFFEP-NTEUORMPSA-N	593.684	6.573	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078219	HLNFHNMUDZGFOZ-KGENOOAVSA-N	551.521	7.387	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409133084	MKNCGVGOZQRPLL-DPNNOFEESA-N	685.597	5.237	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3F)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409133510	MCEQBJCKPVPBOL-RUZDIDTESA-N	510.009	5.441	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Br)cc1	409144037	NBTZSMRDUIPDJT-MHZLTWQESA-N	580.523	5.809	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1	409151947	CUBYROQKYGPIET-AMVVHIIESA-N	620.287	5.427	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccco2)cc1	409218729	GOKBWESTFJUSRB-FDVSRXAVSA-N	566.795	5.931	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cc1	409221955	BVXMNHRQSCBJRE-UHFFFAOYSA-N	695.320	6.184	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2)cc1	409224158	JBVHSPANHHWLTF-FDVSRXAVSA-N	512.393	5.961	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409224378	JRAOFEUARSQYBK-NKHVPTTDSA-N	600.380	7.248	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccccn1	409247272	LWXFJFHJMIVAKV-OPEKNORGSA-N	563.193	5.366	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1	409256405	KXGALBIJTXAWHD-YVLHZVERSA-N	603.698	6.737	50	40	KKGB	
N#C/C(=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	409259495	ZRUOZXRLJMKCNC-YBEGLDIGSA-N	511.321	5.465	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)ccc1OCc1ccccc1	409260223	MWQJCWDXTJYYBP-GXBUFBABSA-N	551.643	6.063	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1OCC	409311203	DTIDNMCKWZZABM-MWLSYYOVSA-N	588.442	5.749	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1OCC	409325228	XZDLWVNAYKMRPB-MWLSYYOVSA-N	590.312	6.742	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409343906	FWNBSFGXGWTRLU-PNQUVVCRSA-N	616.258	6.277	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl	409359214	AFKQUFXDRKVRNQ-CPDSRJINSA-N	594.289	6.198	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	409361991	FCIKUAPZHFRABV-MBTHVWNTSA-N	560.286	6.054	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)c2ccccc2F)cc1I	409371840	QQVUZAVJNCYBMG-GHXNOFRVSA-N	519.095	5.498	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409372472	DRMQHHSUJWUUJD-NDENLUEZSA-N	592.437	6.265	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	409373722	TWCHOBQMMVTUHX-KCSSXMTESA-N	539.429	7.107	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409377559	IWNUZTRFMOJAOO-XJECJHNESA-N	646.556	7.651	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	409377832	LENJGWPTHYXXMZ-FZKWRIDDSA-N	591.693	6.652	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1	409380409	MLSXYYQWAWNZFV-VSGBNLITSA-N	745.585	5.202	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCC(=O)Nc1ccccc1	409387356	VVYWBAXMWGCWID-UVHMKAGCSA-N	538.969	5.253	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409394548	CAXFZJFFMKXVMF-UHFFFAOYSA-N	706.347	7.650	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccccc1	409396035	VOXFLZWBIMLBTC-UHFFFAOYSA-N	664.297	7.185	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409396570	ZCMYISKWQQUCLY-UHFFFAOYSA-N	798.635	9.778	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)[nH]c12	409396647	ZQUIBGLFQBBWDQ-UHFFFAOYSA-N	676.752	7.868	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409396740	AOWXLIYHUKYMGS-UHFFFAOYSA-N	552.030	7.179	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397865	OWHLMECLJKSFQJ-UHFFFAOYSA-N	566.057	7.433	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409399326	ZMUHOCUEKBORCP-UHFFFAOYSA-N	616.899	7.633	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc4c(c3)OCO4)o2)cc1	409399912	AFYLVAJWTNROPJ-NKHVPTTDSA-N	643.052	6.899	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccccc1C	409401386	SXKVRDXTHJPMHR-UHFFFAOYSA-N	606.679	6.365	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OC(C)C	409405396	TXIIZVNDEWVRGC-KYHGBAKBSA-N	594.506	6.978	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409406076	AEFMBZJBDUFAPO-KMUKQRDJSA-N	598.055	6.911	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12	1529549412	YIGKUXJAQHMQQX-AQYQBHCBSA-N	677.610	6.611	50	40	KKGB	
NNC(=O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)NN)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)NN)cc4)c4nc(c(-c5ccc(C(=O)NN)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1	1857795625	YSSRVYRNFYLZKY-UHFFFAOYSA-N	846.912	5.738	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1	2705903	VATQDDPUBJALLX-STBIYBPSSA-N	564.509	5.237	50	40	KKGB	
Cc1cccc(N/C(SCC(=O)N(c2ccccc2)C(C)C)=C(/C#N)c2nc3ccccc3s2)c1C	3223107	SFRWQVDZGFZZQD-WEMUOSSPSA-N	512.704	7.392	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	6074194	VXGPQPGYHSWFFF-DDFGHHCKSA-N	513.446	7.489	50	40	KKGB	
CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1	8384806	FUUONQWXFLFCBI-OCHQUJFWSA-N	553.460	6.763	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC(=O)c1ccc(Cl)cc1	13839133	CDYHEYFHYQXWPP-VULFUBBASA-N	501.764	5.023	50	40	KKGB	
CCOc1cc(C(=O)N/N=C(\C)c2ccc(NC(=O)c3ccc(C)s3)cc2)cc(OCC)c1OCC	20175640	DFFYIDYYVQOOAX-RDRPBHBLSA-N	509.628	5.659	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	33353495	ZEMSOHLAUJPJCZ-RUMWWMSVSA-N	610.961	6.960	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	34200758	YLEZSOFMMFBNRH-FDAWAROLSA-N	500.982	6.271	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)c2C)c(C)c1	58915360	GTEOPGJFUAJMIZ-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C(=O)O)cc1	59336486	ZCFPDUFMVYLINR-STZFKDTASA-N	507.373	6.545	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccc(F)cc1	59921946	IUMFCJFGBIZTEA-MZJWZYIUSA-N	509.584	5.296	50	40	KKGB	
CCOC(=O)c1ccc(/N=C(O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1	97968643	CEDKVQLAPZBVFF-FYAMCCBRSA-N	576.472	6.340	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)[C@@H]1c1ccc(C)cc1	98000344	DZPQKAKHPNQQHO-SANMLTNESA-N	554.068	5.463	50	40	KKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5)c(OC)c4)CC(=O)N3C2)cc1	98048428	BIMUBQVSXKZZRS-MHZLTWQESA-N	539.701	6.836	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)c2C)c1	100119277	WSYZJRUYIWLYLB-KCSSXMTESA-N	563.123	6.094	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100125011	FVKZUNXNYCSOEK-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1OC	100304747	WBHQMZSQRPBOQD-ZXSNDDASSA-N	602.757	5.112	50	40	KKGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)C2=C(O)CCCC2=N1	100703083	MEKCNGOGCCKCEB-QHCPKHFHSA-N	511.569	6.964	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc(Cl)c(Cl)c1	100888177	IXZXPMRPEPSMOK-MBTHVWNTSA-N	536.916	7.043	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2C)c1	101085306	MWGBEZMOGIQASQ-GOHCDNDPSA-N	522.457	6.675	50	40	KKGB	
CCCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	101149937	ZOTGJEMFGUOKSC-MKXGPGLRSA-N	529.269	5.379	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	101166972	RBDLCAIHNKKYNF-FAOGAKCWSA-N	562.906	7.899	50	40	KKGB	
N#CN1C[C@H](CCI)[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1	103612717	MGNDUMCWTJYJSU-YUMQZZPRSA-N	582.142	5.969	50	40	KKGB	in-vitro
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	103890648	QPKRJAPEOSLDFD-YVLHZVERSA-N	591.245	7.187	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC	103899860	WAMGWCDLBCWXAN-MUFRIFMGSA-N	622.925	5.030	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)OCCCCCC)c1ccc(N(CCCl)CCCl)cc1	104138034	DUGYAKYCSBLOOI-DHUJRADRSA-N	655.836	10.903	50	40	KKGB	
Cc1cccc(/N=N\C(=N\NC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)c1	104316897	HBTHNMAFDAJNEY-VGADOPFUSA-N	528.016	6.172	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)[C@H](Br)[C@@]2(C)[C@H]3CC[C@@H]2/C(C)=C\C=C(c2ccccc2)c2ccccc2)C1	118927985	UKFMVSQONDNDJQ-LYFWUPLPSA-N	629.679	9.208	50	40	KKGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1SSc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl	150365511	SUXMNCJNEVPTAT-VDIQSLMDSA-N	648.424	8.627	50	40	KKGB	
CCOC(=O)C1=C(CSc2nnc(SCC3=C(C(=O)OCC)[C@H](c4ccc(OC)c(OC)c4)C(C#N)=C(N)O3)s2)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1	150378099	CITJTRLJUBZDAU-RNPORBBMSA-N	834.955	5.407	50	40	KKGB	
CC1=C/C(=N\NC(N)=O)[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@H](C)[C@@H]1C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	245239938	NJXPVAVICLRJJI-KHVAQMGTSA-N	545.765	5.847	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br	408540213	OQPDECRXFGXTIX-YSMPRRRNSA-N	544.715	7.368	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(OCC)c2)c(C(=O)OCC)c1C	408547386	VXRGMLQQXFHDLS-ZVHZXABRSA-N	586.666	5.978	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)ccc1OCc1ccccc1	408550098	BLDVWXNETKSEPF-BYDMSBDESA-N	647.342	7.669	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	408552446	INEFHZFITUIMMV-CXUHLZMHSA-N	547.192	6.746	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553565	XKICFLJLNYFRQC-VXLYETTFSA-N	558.849	6.286	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1cccc(F)c1	408555092	VLMYQSJCKAFOTK-VXLYETTFSA-N	580.479	6.924	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccccc1Cl	408569949	RFFNTUXEWMEIBU-FJEPWZHXSA-N	577.555	6.979	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1nc2ccc(F)cc2[nH]1	408570906	ZLDFACVLTGHCEB-NVNXTCNLSA-N	517.185	7.414	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(F)cc1	408580330	OKQNBPAXMZTPEX-YBFXNURJSA-N	533.768	7.126	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccco2)cc1	408660119	WHZGFNIKVOWCFC-KJTYYUABSA-N	704.755	5.170	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408676474	DCPVISRYIAMPOF-YWALVYIISA-N	586.202	5.240	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408723505	VVKKQOHSXSZANZ-RPPGKUMJSA-N	552.650	5.973	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	408728885	VXFOQVQEKHXBPD-NJZRLIGZSA-N	577.062	6.106	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408742425	WMLRWTINJUDCMO-MFOYZWKCSA-N	600.325	5.132	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(I)c2)ccc1I	408748179	ZOISONZGFMHCJL-DHRITJCHSA-N	612.205	5.247	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1	408752942	DNICCJZCCDYJTH-XDHOZWIPSA-N	644.456	5.246	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12	408754644	LAESYNCQUNLTMG-XSCOCXMISA-N	699.611	6.184	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408760422	YLTDPSUIMUCKRN-YVLHZVERSA-N	657.313	6.619	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)c3cccc(Cl)c3)cc2Br)cc1	408766490	RLDMMSSMWAQMMT-BRJLIKDPSA-N	586.689	5.705	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Cl)cc1	408790652	QKURRCKGKDTASS-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408791101	TZWJVUXADVXDGH-RGVLZGJSSA-N	521.367	5.589	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Br	408792484	KFCPQUFFANDKTD-OQLLNIDSSA-N	520.177	5.109	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408793346	DXIGHMPOCVXVCJ-CXUHLZMHSA-N	518.194	6.586	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795936	NBENNGIDBLNSGG-OEAKJJBVSA-N	563.868	8.350	50	40	KKGB	
C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408823060	DIYBLSDLKDTZGJ-RCCKNPSSSA-N	517.379	5.594	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c1	408827841	HFIJUCGKVLASDP-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OCC	408830895	UDBVCSOOLDGUQF-GZZLJNBRSA-N	571.699	6.034	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(C)cc1	408838892	JUEAUGAMEVKNKG-IZYHBKOJSA-N	691.003	8.260	50	40	KKGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408839735	VYOPRBXLXLZVBW-BRJLIKDPSA-N	523.914	5.387	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(=O)(=O)c1ccccc1	408843793	UEBFUMBNTVNFQD-FABQOPTDSA-N	687.012	6.353	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12	408845294	VSVFRPHOJUZUGD-ZHSUKTGHSA-N	568.024	7.255	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	408847512	SLMQTJPMBIEIMA-KBVAKVRCSA-N	601.413	5.901	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(C)cc1	408853622	VHCYYAARUNSSKV-IDWIKUEFSA-N	608.536	7.875	50	40	KKGB	
Cc1c(Br)c(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Br)cc1	408856446	ITRSBOHTAVWEOK-KALUYTGESA-N	574.100	6.455	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1Cc1ccccc1Cl	408868651	ANVLHBYHACGSQK-VCHYOVAHSA-N	530.249	7.291	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1Cc1ccccc1F	408878044	VVKCDLDADZWGGD-PCLIKHOPSA-N	541.022	7.593	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1Cc1ccccc1Br	408881207	ILNQHXKQOXJWEM-WOJGMQOQSA-N	513.794	6.777	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2OC)cc1	408883181	UAOYUEZYDKXGNI-CXUHLZMHSA-N	633.782	5.635	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408891197	MWVVIMMIEUXBFC-VCHYOVAHSA-N	633.420	5.138	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2OC)cc1	408891652	UHYYJXIYCZAHJZ-MHWRWJLKSA-N	576.230	6.538	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OC(=O)c1ccc(C)cc1	408891766	UZQHAPDCUKKPDH-DEDYPNTBSA-N	501.495	5.075	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Br)cc1	408904849	PMEORBNIZZQXBT-ZMFRSBBQSA-N	508.328	5.755	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1	408913181	TWRQCFMZYLUXHG-QNKGDIEWSA-N	531.568	5.713	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(C)c2)c(I)c1	408944111	IJQFVSZHQGFINH-MUUNZHRXSA-N	777.479	5.826	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	408952052	VDIYFKCCBUWZFL-HHHXNRCGSA-N	716.010	5.265	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OCC)c2)c(OC)c1	408956543	RCKRGOMNAFZDOV-RFYYFMECSA-N	777.012	5.651	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1cccc(C)c1	408982354	GPGYHZCPQOIARV-JMIUGGIZSA-N	572.830	6.695	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1Cl	408983053	JWKKOYFJOCRMLL-IUXPMGMMSA-N	733.569	7.745	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc(C(F)(F)F)cc1	408992844	TVAIDSHPJHVUOD-NVMNQCDNSA-N	675.182	7.256	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(OCc3ccc(I)cc3)cc2)c1	408993339	DISOGOALZZZBRF-UHFFFAOYSA-N	583.857	6.695	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1	408998615	RLYDMTLYJOHRFP-ZCTHSVRISA-N	507.546	5.239	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)cc2)cc1	409013076	MFMGMXXXXUUJQH-LJHVUWIPSA-N	658.110	7.503	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1	409020644	RMFGYTDAVHGJTG-OVGFUGOZSA-N	589.648	6.191	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2cccc(C)c2C)cc1	409028081	JRCDMNCYTWOMHH-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccc(F)cc1	409044817	DKSHXJVCAMKWMP-LZYBPNLTSA-N	564.636	7.129	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)Cc2ccc(F)cc2)cc1	409055498	CFURXYKESYZXSQ-BIZUNTBRSA-N	545.636	5.054	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409068641	BJYUZKXYTWJQQL-GIJQJNRQSA-N	530.886	6.190	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)cc2)cc1	409128027	RHHMTLXVVQMZBA-FMFFXOCNSA-N	584.698	5.051	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1	409185330	XIRKBMDTQBWWFJ-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)cc2c1	409186598	FIUJLFSVKQEXRC-MUXKCCDJSA-N	572.253	6.699	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409215904	BZHIZBHRHUYMKF-VWJSQJICSA-N	572.945	7.876	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409220191	ZAFMEIMFMXVYKD-UHFFFAOYSA-N	620.445	6.356	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccco1	409222554	DWSQTIKNXIDFNG-UHFFFAOYSA-N	565.504	5.933	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409224780	MRYISKVZCOAWPX-CNCDYAKUSA-N	611.825	6.790	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)ccc1OC(=O)/C=C/c1ccccc1	409226534	UOSNIVZEKZRJAT-ZBAWAYFNSA-N	621.646	5.654	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)n1	409243233	QUPVCIHUCZMETP-NSKAYECMSA-N	582.293	5.579	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1	409251486	QSJKKVFVOYMSOV-RAWMCFOBSA-N	610.646	5.555	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccccc1C	409251574	AJLATZJGPONUJU-UDWIEESQSA-N	534.410	5.638	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409255635	MMKLXQQPCJCLJS-XKZIYDEJSA-N	518.013	6.227	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409255666	MQZARDMYAJTXFC-VHFSBPNMSA-N	752.034	7.992	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409260053	JXOUCNDCMACDNP-CIAFOILYSA-N	503.986	5.837	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409260059	KBFPPCLKHZGBHW-XKZIYDEJSA-N	609.464	6.178	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Br)c2)cc1	409261415	BWGQBMBDAPYOOK-XSFVSMFZSA-N	534.410	5.719	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409266795	YKYVKHBODVICKD-RPPGKUMJSA-N	609.218	5.103	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OC	409302128	HOORMRINWDHVSC-MWLSYYOVSA-N	581.474	5.721	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	409313939	PWUHDNHKRPVBEJ-FDVSRXAVSA-N	608.860	6.094	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1OC	409322365	JOAFLZTXSMKMJO-MNDYBZJGSA-N	631.321	5.875	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1OCC	409322599	KWPUPLSEXHKMBY-MNDYBZJGSA-N	606.286	6.657	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409324880	VMMWLQQHAOYDBQ-UHBFCERESA-N	620.871	6.260	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2)c(I)c1	409379962	DDLOKNPCGKSDQM-GRSHGNNSSA-N	623.232	5.570	50	40	KKGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)c3ccccc32)o1	409390062	DMBVTSCXFUUHTN-NSKAYECMSA-N	575.213	5.064	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409394872	GXMNPZYTTYLTTF-UHFFFAOYSA-N	764.190	9.124	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)c1	409395212	LAZUQAJTPUAUEM-UHFFFAOYSA-N	695.795	8.313	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409395230	LGKLNIFNVBKRBK-UHFFFAOYSA-N	679.796	8.559	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395984	UUUPNSBMMMCOER-UHFFFAOYSA-N	695.751	7.725	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1	409396438	YJKSFHIPGMQZEO-UHFFFAOYSA-N	605.876	6.893	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)c1	409397192	HHFQDEGSVJUSJJ-UHFFFAOYSA-N	507.977	6.780	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC#N)o2)cc1	409399986	ASRBUDROCYJEIM-MNDYBZJGSA-N	547.955	5.494	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409401358	SSTDYXKMMKGWNZ-KOKCXWAISA-N	641.124	7.018	50	40	KKGB	
C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	604941309	UHCDRCBBCZLXBO-VSFUVFHSSA-N	641.186	12.671	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccc(C)cc1	1783823	KGVWEHCSAUOINB-FAXBRQRDSA-N	544.677	5.190	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1	3116264	PYPHSWUFNCVFFS-UVHMKAGCSA-N	560.242	5.577	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1F	5918000	NJNHPTHYMQKNJO-AREMUKBSSA-N	520.029	6.756	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)cc1Cl	8450433	UCYPJKALRGGJEX-FYJGNVAPSA-N	519.989	5.346	50	40	KKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c1C	12542896	PNBZQXWUTUPQJZ-BLJGQIRFSA-N	519.001	5.589	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CCSc3ccc(Cl)cc3)c2C)cc1	20243909	KWMMGVAFLLVYNI-VULFUBBASA-N	504.881	6.451	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C(/C)c3ccc(-n4ccnc4)cc3)c3ccccc3n2)cc(OC)c1OC	33732602	BGKSQGCDIMDNNZ-APTWKGOFSA-N	521.577	5.267	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1	97960784	OVGQROVYLBGDJV-UNOMPAQXSA-N	528.777	6.378	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1	97962739	CBTUODUMWMMDJO-JBZNKQRISA-N	678.590	8.713	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21	98007225	FCYLFRSLIVXJIB-NDEPHWFRSA-N	608.671	5.896	50	40	KKGB	
Cc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)N(Cc4ccccc4Cl)c4ccccc43)C3=C2COC3=O)cc1Cl	98008060	KBXNOZFVBGCVQK-LJAQVGFWSA-N	543.410	5.111	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F	100119172	ZVKIAARLYBNTLN-KVAAJVFYSA-N	603.066	6.496	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	100125743	XBJXLWRSHABKLF-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Cl)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100141593	FMERPAHTHPORAR-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1OC	100302208	ZEEXSPATLKUSIH-LQKURTRISA-N	550.464	5.131	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1OC	100852115	HJGWNODYYDOIMF-BIZUNTBRSA-N	573.719	5.890	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(Br)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852131	PVXNCNQHJXZMFJ-KBVAKVRCSA-N	608.562	6.254	50	40	KKGB	
CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)CSc2nc3ccccc3s2)C1=O)=C\c1ccccc1	101007823	PSSOSGOMZCMMHV-CMMGMQPASA-N	568.771	5.164	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@@H]2C[C@@H]([C@H]3C(c4ccc(F)cc4)=NO[C@@H]32)[C@H]1P(=O)(c1ccccc1)c1ccccc1	101023757	MWNYMQJXYBAJDE-APJAUMMISA-N	631.624	6.960	50	40	KKGB	
CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3)c3cc(Br)ccc32)C1	101090447	MRFPSSZYPJMZRY-SQFVFLSOSA-N	543.893	5.441	50	40	KKGB	
C/C(=N/NC(=O)c1nn(Cc2ccc(Br)cc2)cc1Br)c1ccc(Br)cc1	101664202	LIMPMNIWVJJXFG-FMCGGJTJSA-N	555.068	5.373	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)CCCCCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	102529524	SFGVSKXRNGQQKD-WNLGLVQYSA-N	605.165	5.034	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl	102718601	GAORSOHULBJHHE-MHZLTWQESA-N	545.064	6.055	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=C\c2cc(/C=C/c3ccc(N(CCCl)CCCl)cc3)ncn2)cc1	104050329	YIJMCPJPUKDEJH-JOTJMYPPSA-N	564.388	7.385	50	40	KKGB	
COc1cccc(/N=N\C(=N/NC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)c1	104315653	GCBJAYRRJVMFFP-MCJNZCSVSA-N	544.015	5.872	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	104954097	NOKKCQWMGAIUPY-OVCLIPMQSA-N	571.085	8.187	50	40	KKGB	
FC(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341988	WBZQMMVJNIXNEJ-UWTATZPHSA-N	742.023	9.022	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccccc1	162474714	GVMQTUWQYXGSER-HNSNBQBZSA-N	652.567	5.699	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(OCc3ccccc3)c(OCC)c2)cc1	408538352	LKAIEEUETNZGHH-ZXVVBBHZSA-N	627.535	7.950	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1	408539529	WZJLPZLGQOTEDE-LQKURTRISA-N	583.084	7.129	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408550252	FFXINCYHHGAXJS-MHWRWJLKSA-N	545.533	5.662	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408566489	GVZOLBOMINHLBT-CHHVJCJISA-N	545.181	7.009	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Br)cc1	408566890	IXRKTBPIVIZYGQ-ROTLSHHCSA-N	610.202	5.313	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OC(C)C	408567900	GRUSVPTVTTWRSB-WYMPLXKRSA-N	525.490	5.253	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCC(=O)Nc1ccccc1	408568787	KZBURTBAXMFWJU-OKCVXOCRSA-N	630.586	5.873	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	408569231	MLQVGDWCYUBZBQ-VFLNYLIXSA-N	567.947	7.234	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Cl)c(Cl)c1	408585101	AACGPKAYAIPNMF-JMIUGGIZSA-N	588.126	9.315	50	40	KKGB	
CC(C)[C@@H](C(=O)O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408659095	OTBBIRFGAAYDPR-VJCXFIHYSA-N	659.393	6.681	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408660204	WLEJXJHCMQGPKJ-DEMIDWFSSA-N	643.159	5.400	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1ccccc1	408683926	NSYRPCXAAGUBSX-BDYUSTAISA-N	528.402	6.483	50	40	KKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCc1ccc(Br)cc1	408691692	MCLMCJQPCHXMGK-JAIQZWGSSA-N	614.281	6.988	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Br)cc1	408725956	NNZFDQFQVZZGTE-ZDLGFXPLSA-N	648.251	6.485	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408739932	GUETWTGZVCEYJB-UHFFFAOYSA-N	642.850	6.891	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)NCc3ccccc3)c2-c2ccccc2)cc1	408744055	WBZMJOBGJFGYBQ-JBASAIQMSA-N	523.636	7.433	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)ccc1I	408746503	DVDPRIOURYYUSC-LUOAPIJWSA-N	634.095	6.712	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)ccc1I	408747480	OOPHDMIJUFZGOG-RPPGKUMJSA-N	640.228	5.322	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408748005	WZJKXUIZWFSUHR-JAIQZWGSSA-N	556.254	6.023	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Br)c1	408759995	PQUNQFVGKLWLTO-PXNMLYILSA-N	628.091	7.485	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408778549	GZKWHNSPGXYLIJ-OVVQPSECSA-N	548.890	5.455	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(Cl)cc1Cl	408789473	JMJHQULFMRNERW-KEBDBYFISA-N	574.302	7.896	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408795224	KPUNJMPYTLMJQJ-VCHYOVAHSA-N	546.248	7.198	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408799760	KSYAUGUIPMBVMZ-LICLKQGHSA-N	576.672	6.998	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408805962	DCDMUOMCRIOHRA-HYARGMPZSA-N	531.837	7.689	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccc(Br)cc1	408818123	NCDHNQFMNGIPHN-MTJSOVHGSA-N	600.307	6.421	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1	408819435	SDOUOQDIAKVXTO-QFEZKATASA-N	574.418	6.255	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)c(OC)cc1Cl	408824542	IFASHWMGSNJXTD-LPYMAVHISA-N	528.992	6.644	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408826008	SJFCEQZMAPXPJM-WSDLNYQXSA-N	719.790	8.964	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408826227	CMKXGLFPJQVZOD-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408837197	ZVNYTYJDCVUBON-ZVHZXABRSA-N	607.921	8.749	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408837746	MSVUAXJGAGGAOV-XZYGTATASA-N	656.588	6.634	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)cc1OCc1ccccc1	408843446	FROVNNFFOCLHAP-KKMKTNMSSA-N	627.127	6.421	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc6ccccc6c5)c(Cl)c4)cc3)cs2)cc1	408844409	OMHSSJDJWYNQJO-HASSKWOGSA-N	603.147	9.012	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Br)cc1	408850964	HDFJETNARKTZAU-DBSPGSINSA-N	687.432	8.719	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408857175	SINIQEULOFAAJV-FYJGNVAPSA-N	500.957	7.074	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408863733	PDCDQHINJXLPAY-FJEPWZHXSA-N	571.486	5.513	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1Cc1ccccc1Br	408868890	QLKZRAGIPSPBFH-RGVLZGJSSA-N	509.831	6.864	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(C)(=O)=O	408870418	VQLGXTBUDIWYHT-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c(OC)c1	408872707	OPLHNERJZYZNPS-FSJBWODESA-N	636.340	7.184	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1cccc(C)c1	408875295	IWVVWQNAOZVKON-FSJBWODESA-N	612.464	5.818	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1	408876164	JPUZNDSHXUWJBC-CIAFOILYSA-N	505.412	6.220	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccccc1	408885005	WQBWBNZJZWOAPB-LGJNPRDNSA-N	572.264	5.686	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408888243	XUUJRWQEQMCIIB-OVCLIPMQSA-N	628.348	5.919	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408889612	HTBZLZBSXAQGAA-XDHOZWIPSA-N	600.447	5.686	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408890030	MUZKYYNPMQMFRI-VIZOYTHASA-N	596.832	6.185	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408890107	NYOQHBBCQGRGFW-KBKYJPHKSA-N	553.196	6.016	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1cc(C)cc(C)c1	408893060	DYMMKMUUAYPJJU-ZVHZXABRSA-N	580.466	6.994	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2ccccc2Cl)cc1	408895079	SYJTVYNAJRKGBD-MUFRIFMGSA-N	556.475	5.142	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2cccc(C(F)(F)F)c2)cc1	408896269	XEFZEHKIPLTKTR-KPGMTVGESA-N	590.027	5.507	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1	408898089	KNAXJZHXTFCFKY-CPNJWEJPSA-N	508.315	5.365	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OC(=O)c1ccc(OC)cc1	408898140	UXMSZJWEIKUABU-MZJWZYIUSA-N	623.241	5.444	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	408898434	LFRULMDXHXTTPG-OPEKNORGSA-N	661.621	5.800	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408901050	ZNYGLPINGOZYBC-OVCLIPMQSA-N	628.348	5.919	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408904062	DBUZBVXHTWZBFH-FXMZOFOKSA-N	571.686	7.461	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1	408904250	HBYXPFLNYHZQHN-FMFFXOCNSA-N	571.549	7.138	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc(C(=O)OCC)cc3)ccc3ccccc23)c(OC)c1	408950944	HVWXTKSGJCWMJM-OVEXKVFKSA-N	694.741	5.324	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2Cl)c(OC)c1	408957639	VHWGNNHTJINACK-FEFDWTNPSA-N	641.508	5.301	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)c(OC)c1	408958012	XDFHARZYABVVNG-BUMGRRTCSA-N	748.574	5.752	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c2ccccc2)cc1	408979949	OVUDVKUDMBQLIE-RZWSOBKFSA-N	631.552	5.768	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccccc1Cl	408983633	MYOBYBTVWIOJPY-VCHYOVAHSA-N	546.248	7.198	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409020768	SZZLHAQTMZNDSZ-WXMAUWIXSA-N	753.012	8.221	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409039573	HBEWQZYUCTZQEA-FZPRHHONSA-N	660.322	7.678	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409043044	PIEZXUJFEYAGIW-WOJGMQOQSA-N	510.377	5.874	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409045623	ZWDLEJKTAGYRAW-LZYBPNLTSA-N	614.643	8.008	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	409045984	QQRFHQZQGRCKCF-OCSSWDANSA-N	535.069	7.159	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409067401	QPBCFYUVZVUIGY-JJIBRWJFSA-N	527.577	6.245	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409071115	NKDGMGFOQKSQEZ-YBFXNURJSA-N	518.367	6.065	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C2=C1CC(C)(C)CC2=O	409127388	JHEPYNBPGMUYIS-VWLOTQADSA-N	682.386	6.568	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl	409133765	RMWRYXFKOKFXDN-ODNPBWNPSA-N	691.033	7.369	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409143942	OOJAVFYQAFXDSF-PPOKSSTKSA-N	605.116	5.727	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Br)cc3)c(OC)c2)cc1	409150251	AYDUVFJNCDKWJX-WCMJOSRZSA-N	723.362	5.348	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	409200031	FQENSILVZKHLRD-RPPGKUMJSA-N	662.718	6.371	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1	409217976	GLHUZKBBMDDLME-UHFFFAOYSA-N	651.311	6.456	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	409220664	CZZRWIZNUMICHW-VFOSSOBBSA-N	505.412	6.130	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OCC	409227173	SYNBRBBTXFWEGK-UHFFFAOYSA-N	596.596	5.628	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)NCCCc1ccccc1	409233005	CTCZLXXXYSDJNM-HMAPJEAMSA-N	567.383	5.434	50	40	KKGB	
O=C(Nc1ccc(Cl)cc1)[C@H](NNC(=O)[C@@H]1NC2(CCCCC2)Cc2ccccc21)c1ccccc1	409283906	QQUKJORCIKKYGI-CLJLJLNGSA-N	503.046	5.231	50	40	KKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)=C2C#N)cc1	409309940	OGMSPDOXBODSHE-HNNXBMFYSA-N	556.429	5.900	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)ccc1OC	409320820	FJCXPJABIBQOHB-QDTIIGTASA-N	580.248	6.101	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1	409335337	VSUVZKURKQDRNB-QRQIAZFYSA-N	507.384	5.203	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	409364545	XVPGRWXZWDAZJK-NVJOKUIPSA-N	679.123	6.783	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409365224	TXBHRNCCIJEMBO-UNOMPAQXSA-N	596.409	5.337	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(OCc3ccccc3Cl)cc2)c1C	409373106	LNPBCWNLRILEQG-ALQBTCKLSA-N	538.047	7.252	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccccc1Cl	409374547	SOFNGLGOVVDRGK-ODLFYWEKSA-N	522.830	7.329	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC	409383438	VCJIOBXIHCIRPB-LDADJPATSA-N	536.382	5.029	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccccc1F	409386842	NSKSTQCZFJVMSF-ZRGSRPPYSA-N	504.743	5.023	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(OC)cc4c3-c3ccccc3Cl)cc2OC)cc1	409396689	AECZKTUQOLERKY-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409396723	AKQJOJNDEIZGKK-UHFFFAOYSA-N	616.501	7.922	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409397835	ONDMQKNUICZERV-UHFFFAOYSA-N	622.892	7.795	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398570	URCBJWOUMNNDKN-UHFFFAOYSA-N	603.418	7.042	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1	409405031	RUFTZWHRBFZNAX-AEVGBRMKSA-N	705.993	7.472	50	40	KKGB	
CC1(C)CC[C@@]2(C(=O)O)CCC3=C([C@H](CCl)C[C@H]4[C@@]3(C)CC[C@@H]3[C@]4(C)C[C@@H](O)[C@H](O)[C@]3(C)C(=O)O)[C@H]2C1	584567031	CWHJIJJSDGEHNS-KQXIVKJESA-N	537.137	5.488	50	40	KKGB	
OCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	642882942	WWMIWLLNIDASKR-LURJTMIESA-N	596.112	6.717	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1	1529546262	DRSFJGPCWAMOFK-QNDPHOHFSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1	1529546339	FDKWDUYTKMWFLK-LIICTPKDSA-N	672.001	5.567	50	40	KKGB	
Cc1n[nH]c2c1[C@H](c1cc(Br)c(OCc3ccccc3Cl)c(Br)c1)C(C#N)=C(N)O2	661038	QPDGUIHYUDHLFB-GOSISDBHSA-N	550.638	5.694	50	40	KKGB	
O=C(N/N=C/c1ccc(OC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1)c1ccco1	1105704	MTBFZWWPJMOSRT-HCXDNJAASA-N	522.388	5.898	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1c(Cl)cccc1Cl	2222116	CBPHFKXECWCTDX-XODNFHPESA-N	543.501	5.875	50	40	KKGB	
O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccc(Br)s1	2373135	DOGHBKCLOWGKAQ-FBCYGCLPSA-N	519.924	5.550	50	40	KKGB	
O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C/c1ccccc1F	2392589	IMNYRNIUWKXXLE-VULFUBBASA-N	510.392	5.078	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	9041804	FGCAHQXXSYQXOZ-ZXVVBBHZSA-N	500.584	5.092	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccco1	20136736	NXLYWFZSFMVANJ-RUZDIDTESA-N	527.646	5.973	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccc1F	59427676	ZGPOAPHOWABDGO-UZWMFBFFSA-N	504.521	6.623	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc(Cl)c1OCCCOc1ccc(C)cc1C	97964270	DFXCGFRMMXTKGS-FYJGNVAPSA-N	626.156	6.372	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	97999917	NEIFAGHOAXVDKU-MHZLTWQESA-N	598.046	7.170	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(OC)cc3)=C(C)N2)cc1	98048504	ONZDZWCSDKSDQR-AREMUKBSSA-N	530.606	5.003	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2NC(=O)c2cccc(CN3CCC(N4CCCCC4)CC3)c2)cc1C	100068055	CCGMENFLGWUFHU-HPNXWYHWSA-N	586.180	6.423	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3scc(-c4ccccc4)c3C(=O)OCC)o2)cc1	100846568	PBDYKMLVUPKYBA-CJLVFECKSA-N	540.597	6.574	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1	100988430	GUKCINIYVVROFO-VYUMYAIBSA-N	563.293	7.365	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1	100989410	JGGFWUDCQZHTAG-JSIHEXFSSA-N	522.399	5.653	50	40	KKGB	
COc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2OC)C1c1ccccc1O	150384135	HWAGBCIIJXMLQI-UHFFFAOYSA-N	698.563	7.384	50	40	KKGB	
Cc1ccc(S(=O)(=O)NCC(=O)N(NC(=O)C(O)(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)c2ccccc2)cc1	150411450	RUFXXYDJIYXXSY-UHFFFAOYSA-N	665.612	5.311	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164700420	MCZCDFKWAIKKOQ-NDENLUEZSA-N	744.198	7.037	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164735220	YVVDUMIPOACTIU-CHHVJCJISA-N	646.081	7.624	50	40	KKGB	
O=C(N/N=C1\C=C/C(=N\NC(=O)c2ccc(Br)cc2)[C@@H]2[C@H]3C=C[C@@H](C3)[C@@H]12)c1ccc(Br)cc1	226630868	PRHVNJNFBWPFSK-SOUDLUTBSA-N	568.269	5.092	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539248	URBVPYPHGYIKBQ-LQKURTRISA-N	597.111	8.068	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539287	VDDKLJNNYRCQOB-YNPASXIJSA-N	705.236	9.146	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539332	VNEMEPSWHURMTD-MFKUBSTISA-N	585.056	7.157	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)ccc1OCc1ccccc1	408540343	QKQJNFXBLDPWLI-AFUMVMLFSA-N	575.448	8.522	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc4ccccc34)cc2OC)ccc1OCc1ccccc1	408540647	UVNVIAULVGALGZ-DBSPGSINSA-N	595.095	7.822	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc2ccccc2c1	408548286	FTDCUWKECJAVOB-CFRMEGHHSA-N	531.349	6.786	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551004	IWMUDODFXSLHTF-FXMZOFOKSA-N	541.218	6.090	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1cccc(F)c1	408551169	LVMYQZVEGUXECB-GIJQJNRQSA-N	566.452	6.533	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1C	408554057	YRPZDZHYHMNLMQ-IUXPMGMMSA-N	563.268	7.480	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408567455	DZWVATGTFALEHB-IPPBACCNSA-N	652.430	6.807	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	408579653	JCAVSESBERGDKF-VCHYOVAHSA-N	515.824	7.436	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1)c1ccc(Br)cc1	408579759	JYWYOOPIUAZWEJ-GZTJUZNOSA-N	502.195	6.838	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408654365	QKCYELUDJLHINN-GHMQEZDJSA-N	793.690	6.340	50	40	KKGB	
O=C(N/N=C\c1c(O)c(I)cc2ccccc12)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408733676	ZKIPPAZGUGRJAI-AQLQTECXSA-N	620.472	5.553	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1	408744589	GDDBKSLTMVWBFU-UNOMPAQXSA-N	526.228	6.645	50	40	KKGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I	408747921	VTOGYPRORUIJQU-UVTDQMKNSA-N	509.141	5.164	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OCc1cccc2ccccc12	408752379	AGKVSHLXGCAELT-HYARGMPZSA-N	606.314	7.888	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl	408753496	NAIWZBWJKFIAJK-GRSHGNNSSA-N	631.151	8.796	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(C)cc1	408754197	IWFADAGLWUUNMT-GRSHGNNSSA-N	556.254	6.653	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408761098	HTYCJEPGUHLEPF-XKZIYDEJSA-N	595.324	8.288	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408763219	OKEYGYLWEWPMNM-XFFZJAGNSA-N	507.127	6.470	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(I)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408786979	ZAYHAKBYTQPXHL-OVVQPSECSA-N	623.538	5.148	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(C(=O)O)cc1	408787773	GBKDTAZFGOOGNV-WSDLNYQXSA-N	549.421	6.288	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1ccccc1F	408788643	FBJALBHNIAHXSQ-XDHOZWIPSA-N	525.374	6.120	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1	408790259	OLYLOFRHHOOUJK-XDHOZWIPSA-N	525.786	6.014	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1	408799133	YDTISERXLXDTFT-UDWIEESQSA-N	525.388	6.303	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)Nc1ccccc1F	408810050	JUDDKARIILNBLC-NCELDCMTSA-N	562.442	8.259	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1	408814511	RNQDLCIWHYGFQG-LFVJCYFKSA-N	510.977	6.795	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc(F)cc1	408820932	APLYGWWCKZRUAB-OEAKJJBVSA-N	666.341	8.063	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408823862	FRTJLYBAQNQZIW-OEAKJJBVSA-N	638.345	8.468	50	40	KKGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408833132	VTTKFFZQTAAOQP-JWHWKPFMSA-N	552.719	5.297	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OCc2cccc(C)c2)c1	408833151	TVHQSQIRCIGARP-YZSQISJMSA-N	583.482	7.470	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OC(C)C	408836460	RLDWYVCIZUPJTC-LPYMAVHISA-N	535.438	6.678	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccccc1C#N	408840266	AAHYJVAPZDIMPA-IZYHBKOJSA-N	652.574	7.848	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(Cl)cc1	408840818	BVVGTRBQYIXEJI-XZYGTATASA-N	597.140	8.257	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408840882	CSJNWTIEPODFHW-VTNSRFBWSA-N	546.410	6.537	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccc(C(C)(C)C)cc1	408842163	NAXMPDJEVZQFNT-MHDJOFBISA-N	553.654	7.303	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408847907	WSAKCGFFHSUZCK-GXBUFBABSA-N	609.480	7.466	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccccc1	408852739	HXZZHDLIFKXIEU-NHXQZRDHSA-N	569.705	7.923	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408854059	WQGMTRBTCCYYAZ-KYMQWJLESA-N	582.665	7.507	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1	408859369	WKHYMZNISKGXLT-YBFXNURJSA-N	545.355	6.991	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408862219	DNUUEYLITHSNJK-FADJLKOXSA-N	593.705	6.081	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Oc2ccccc2)cc1	408863601	PPPANJCODFHTTM-BIZUNTBRSA-N	607.088	5.066	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408868523	NNOOHWBRSFFUDF-JBFMKSPFSA-N	625.750	7.578	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408878319	AHLJUPOUHIOLGG-VGOFMYFVSA-N	632.767	6.564	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(=O)c3ccccc3)c(Cl)c2)c([N+](=O)[O-])c1	408880021	GQBBKYMHLUJSAF-CXUHLZMHSA-N	512.305	5.675	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408885646	DHVNNTRFTTYGOB-XICOUIIWSA-N	609.476	6.216	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408888115	WYQAEAUVOISBJO-RPPGKUMJSA-N	616.406	5.840	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3cccc(Br)c3)cc2I)cc1	408891282	OBTRSGTXAJQHTN-RPPGKUMJSA-N	675.102	6.310	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	408894579	JQTNRIRUVLRIOA-NTEUORMPSA-N	631.129	6.832	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(Br)cc1	408900280	UPRPAHMCRCDOAO-LGJNPRDNSA-N	548.231	5.572	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccc(C)cc1	408904955	QZIBKVGLKAXCON-MUXKCCDJSA-N	622.301	6.804	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408938066	KPACTNACSVKEKQ-DPNNOFEESA-N	612.535	5.922	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408944165	IODWADDVBJXYAK-HHHXNRCGSA-N	740.891	6.873	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Cl)c(Cl)c1	408946404	MVJKBSDJOXVGJR-HKBQPEDESA-N	667.615	6.186	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408955428	UKVZJISVVZIYAK-BKUYFWCQSA-N	673.292	6.222	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408969052	GLBASUCLIXXSEP-CTLHZYQOSA-N	659.397	7.524	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408970963	BNDBPWUEELOGRX-IJRAPWFDSA-N	748.299	7.743	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408982921	IWJOMFHAAWXIKD-MTJSOVHGSA-N	511.836	7.808	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(Br)cc1	408983097	KJPHVOPORVQDFM-VCHYOVAHSA-N	590.699	7.307	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1	409023379	LSFKDDKCILKHQT-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409046553	KPAOMKUINGPBJC-ZSNJKBEMSA-N	589.120	8.703	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Br)c1	409047883	PXBLNDBVDYGXMP-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409074144	SEAPKQOUYLQMIW-OQLLNIDSSA-N	592.811	5.333	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(O)cc1	409090490	NNDAKESIDPICOP-NTEUORMPSA-N	525.271	5.309	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1	409174643	WFGAQTIALTVSMT-VVEOGCPPSA-N	685.302	5.112	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409185802	QGYROJXNPDEESP-ZCTHSVRISA-N	549.052	5.052	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)cc1	409218523	JJKDWEZZMKKGSD-LDADJPATSA-N	506.356	5.026	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	409218557	FYZGOHWZGQWJGK-GZTJUZNOSA-N	526.376	5.574	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC	409219845	VNJPSPFQMIBAQV-FZPRHHONSA-N	677.464	5.619	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)c1ccc(C)cc1	409220198	ZDOWWNMIOXRQPB-UHFFFAOYSA-N	565.582	5.358	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)ccc4OCC(=O)Nc4ccccc4C)cc3)cs2)cc1	409257440	SSVOMGRWOWPKIL-AEUUOICLSA-N	654.590	7.714	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409258472	XRUFXAQGYXCOQB-QDTIIGTASA-N	544.833	5.509	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409259415	ZIEILCIKYXIYQW-NDENLUEZSA-N	629.882	6.523	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409259961	IKGDNRGYGYSNBR-CIAFOILYSA-N	548.437	5.946	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409260381	POEHIHDIVHAFOG-WSKJIZSDSA-N	606.517	5.667	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OC	409318316	UTOJGHMDKMFTKK-MBTHVWNTSA-N	565.431	5.107	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1OCC	409319013	ZXSKJJDHEFWFJA-MUXKCCDJSA-N	577.377	6.554	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)[nH]c2c1	409373360	HUAWTWGNFMASRC-MFOYZWKCSA-N	513.222	7.584	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)[nH]c2c1	409374380	OAWWLJVJTWTTCC-YVLHZVERSA-N	513.222	7.584	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccccc1F	409386151	OOOHLYCGWIOBJC-KKMKTNMSSA-N	558.385	6.063	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387958	ZDMQAUYFISVKND-RPPGKUMJSA-N	636.265	6.520	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394764	FOYKYNDKXZQGGF-UHFFFAOYSA-N	662.294	7.251	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409396449	YLICAGSPLLRYHC-UHFFFAOYSA-N	670.869	8.261	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(OC)c4c3-c3ccccc3Cl)cc2OC)cc1	409397769	NWGYYPAHGBOEAU-UHFFFAOYSA-N	614.054	6.506	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409400318	OHRDNWQJSVILPV-XVIDZLOXSA-N	624.488	5.741	50	40	KKGB	
C=CCOc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409402658	KLIYBFWNIDCCOJ-MNBJERMJSA-N	529.593	5.612	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1	409402712	KQWJDTBNFVFVRX-UHFFFAOYSA-N	584.072	7.271	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OC	409407068	YRZOMGAGFIPYSG-UHBFCERESA-N	522.001	6.091	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	1529548160	ASXOXXPYEQPBAE-WYYYSUTFSA-N	664.615	6.190	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1	1888947	KWOKMBZJLFCMFB-FYAMCCBRSA-N	506.002	5.264	50	40	KKGB	
Cc1cccc(NCc2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2Cl)c1	2097736	BFIKUMQNMFSZHC-VVEOGCPPSA-N	559.910	6.390	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccc(OCc2ccc(Br)cc2)cc1	3178729	QJHIPUMSEKOKEU-KBVAKVRCSA-N	549.852	7.024	50	40	KKGB	
CC(C)CCOc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1	3341975	HOWAXXPPLJMMCD-WPWMEQJKSA-N	500.020	5.330	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1	8810993	UVIKSKPNTVMDHN-MUFRIFMGSA-N	519.395	5.962	50	40	KKGB	
Cc1ccc(C(C)C)c(OCCOc2ccc(Br)cc2/C=N/NC(=O)Nc2ccccc2)c1	9957309	OQSCKMHNXMSUEJ-OGLMXYFKSA-N	510.432	6.494	50	40	KKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c(C(C)(C)CC)c1	12562106	VRDMFQARPLHDRV-AWSUPERCSA-N	507.719	6.208	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)SC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	19816548	ATTTXACFHDEILL-NRFANRHFSA-N	511.072	5.611	50	40	KKGB	
CC(C)(C)c1cc([C@@H](N2CCCCC2)P(=O)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O	33353173	PXIIRNWYAAHEAB-PMERELPUSA-N	503.667	7.486	50	40	KKGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-]	58993093	YBINXCAXBCRBGW-AOMYKUFJSA-N	507.550	5.631	50	40	KKGB	
COc1cccc([C@H]2C(C#N)=C(N)N(c3nnc(SCc4ccccc4Cl)s3)C3=C2C(=O)CC(C)(C)C3)c1	98006080	IXFUOJCYCUSSOS-QHCPKHFHSA-N	564.136	6.433	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	100129890	JLLCJGJKEKWNAP-APTWKGOFSA-N	597.568	6.093	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1	100990775	OWPOGTADXYYOTO-AZJLSSPBSA-N	577.287	6.092	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)NC(C)=C1C(=O)Nc1ccccc1	102809862	XJZJXUBELRMVDI-NDEPHWFRSA-N	569.643	5.700	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)ccc1I	103797587	TVMBVAPPWZOYOO-QXUDOOCXSA-N	612.515	7.537	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882960	CEAKJZSKWPGKOM-BKUYFWCQSA-N	554.847	6.076	50	40	KKGB	
CC[C@@H](C(C)C)[C@H](Br)[C@H](Br)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	118933439	WPYNWAGYMPPHHC-LEERLYEASA-N	614.547	9.342	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2C)C1c1ccc(N(CCCl)CCCl)cc1	150370211	CQQZNMMKZMPQLB-UHFFFAOYSA-N	790.579	9.562	50	40	KKGB	
Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C\c3ccccc3OCc3cccc(Br)c3)n2-c2ccccc2)cc1	150391559	SSHDVIWRDSHGJW-AGTMKFPRSA-N	655.622	7.160	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1	150481258	FWFZAXMGGHYSEB-JRZNSJKLSA-N	753.730	6.670	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164736587	JQGBBRBWCCSQMK-JAIQZWGSSA-N	678.151	8.638	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542046	JOBXEIZNWNIQGQ-UXHLAJHPSA-N	506.002	5.318	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)c1nc2ccccc2s1	408550238	BWNYMWKESFTMNU-VGOFMYFVSA-N	638.168	8.210	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551874	GRSRXFVNIPTSPT-VXLYETTFSA-N	562.445	6.084	50	40	KKGB	
Cc1c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc2n1Cc1ccc(Br)cc1	408568052	HWCQJEXUBMUBFC-OKCVXOCRSA-N	580.573	6.768	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408569780	PXPMSBCAEFQGLM-JFLMPSFJSA-N	543.508	6.036	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408570776	YKCYPUMSZXUPCI-VVEOGCPPSA-N	642.424	7.351	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)c2ccc(Br)cc2)cc1	408579214	DSSOTPNPLPVTDO-LTGZKZEYSA-N	504.405	6.743	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408599362	TUDDFHLTVVGIQY-AMVVHIIESA-N	605.259	7.103	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408649667	YVGXYGKTPOURCK-OAHLLOKOSA-N	637.105	7.627	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408659469	VWJVZWWJYRVSHC-IOXUAXACSA-N	659.158	5.020	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408728816	UQGNWNAPMLJKBZ-WEMUVCOSSA-N	562.091	6.207	50	40	KKGB	
COc1c(I)cc(/C=N\NC(=O)c2cccc(-n3cnc4sc5c(c4c3=O)CCCC5)c2)cc1I	408732036	OJRVGENLETVBAE-ULPWCQAASA-N	710.335	5.308	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408747699	RQXFKTFQNMBUDJ-ZHZULCJRSA-N	602.401	7.011	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OC(C)=O	408756677	SFDZCVLHIRTYGY-XGICHPGQSA-N	531.133	5.078	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408763431	DUWSOXAMFZGSCZ-WJDWOHSUSA-N	606.838	5.723	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408786914	XKUJCMZPKNFIHI-YSMPRRRNSA-N	510.081	7.761	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccccc1C#N	408788341	JQFKBNPPHLCHKO-CVKSISIWSA-N	594.465	7.033	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793478	FMNQNLWQIXURJW-YDZHTSKRSA-N	574.420	7.605	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccccc1Cl	408820214	UQGRQCSBROYKHW-YVLHZVERSA-N	562.766	6.217	50	40	KKGB	
CCOc1cc(OCC)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408820410	VZBJSPLYKKIEEQ-DXJNIWACSA-N	546.465	6.777	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1C	408836166	ZOXQZHNTDRWREA-WGOQTCKBSA-N	557.477	8.314	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408838508	XFHJJZSCILZIAW-IZYHBKOJSA-N	690.538	6.710	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408839011	LOGDNSDVDMVUBU-IURWMYGYSA-N	603.915	7.220	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccco1	408840074	XKOZLTQIRWLFTQ-OCSSWDANSA-N	531.952	5.567	50	40	KKGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2c1	408840110	BCSGJTWXBLIBAD-WCMJOSRZSA-N	543.048	7.141	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc(C(=O)O)cc5)c(Br)c4)cc3)cs2)cc1	408841861	IECKPNGMDQRYBJ-QNVXDBMFSA-N	720.443	8.428	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(F)c1	408850928	GLVDINGROQSELY-CPDSRJINSA-N	586.255	7.168	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cccc(Cl)c2C)cc1	408855811	FBPWOLJADKITFN-FABQOPTDSA-N	639.561	5.973	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	408860659	BEIALDGSBONUQX-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1	408861151	OBSNZVKSQTUORN-IPPBACCNSA-N	608.942	5.223	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	408869189	RFTXGBYBZMGOMA-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408876973	RMYXAHJZDDIWIH-NDZAJKAJSA-N	534.037	5.265	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OCc1ccccc1Cl	408888456	VQAOKVSIIHTLDC-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1Br	408888801	AXKPYPNRPWXEHK-WUXMJOGZSA-N	525.153	5.073	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c([N+](=O)[O-])c1	408889631	IAZZYKBRIDBBKE-VCHYOVAHSA-N	665.225	6.237	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2Br)cc1	408897946	JMLOGZKAUIENGK-DEDYPNTBSA-N	521.367	5.369	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccccc2)cc1	408923341	WDOZAJUYUURDGG-QCFMCPCVSA-N	593.705	6.163	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408952642	OOJWYPJDXXMDKH-JAIQZWGSSA-N	552.831	6.568	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1	408978263	HLSKOYXWIMPXFC-AXMMYCDFSA-N	602.669	5.051	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br	408980726	STCCNJJAIQLFNS-ANGWUCRQSA-N	581.470	5.911	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409003970	WBCLVLPAJBQUHH-QWKCNVQFSA-N	635.356	6.802	50	40	KKGB	
C=CCn1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc21	409019550	JQTGFIIAVLTUKQ-BHGWPJFGSA-N	548.178	5.705	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2cccc(C)c2C)cc1	409028239	KABMVHZZFAUIRA-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409043268	DOLVIICNXMYTKL-IPBVOBEMSA-N	521.784	5.656	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1	409043499	RDOXBSYTDQGXEX-LGJNPRDNSA-N	564.221	5.195	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1	409048721	UXVIAHPDKQKMCQ-GIJQJNRQSA-N	604.682	6.776	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409073487	ZIQMJIVBHPKXAL-OQLLNIDSSA-N	518.334	5.215	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409076493	AZFZKJHJQWSRBW-OQLLNIDSSA-N	562.298	6.723	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(F)cc2)cc1OC	409148259	PFHQKBFODIAQGY-DPNNOFEESA-N	612.079	5.421	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Br)cc2C)cc1	409175640	UBJSCQDLDMPBLH-FJEPWZHXSA-N	601.885	5.306	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(I)cc4)c(OC)c3)cc2c1	409184107	IUDFUARCVSOFLE-NUJZUDFISA-N	604.828	6.441	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(F)cc1	409201613	MZUAYRNYYPEWDZ-ODLFYWEKSA-N	544.320	6.380	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	409218630	WMPSTRAXPOMJDA-WCMJOSRZSA-N	538.500	7.222	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409239570	ZCRPFZAWIIWVOU-BYINCCNUSA-N	621.302	7.360	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)n1	409245670	XHTFLWBAHAJPHC-NSKAYECMSA-N	554.297	5.984	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OCC)c1OCc1ccc(Br)cc1	409247958	IXMPZRXSKNICLP-WKULSOCRSA-N	569.525	5.805	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409267881	PMQNZASGHAHBPQ-BKUYFWCQSA-N	625.463	5.879	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1	409268610	WNUXWOJKXCNRFJ-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	409310501	ANICZIZRNQQJJA-MZFJOGFUSA-N	555.587	5.924	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1OC	409313791	PMFSGMHIPZWVMQ-QDTIIGTASA-N	580.248	6.101	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409315264	USQUBNULHROKQW-VYYCAZPPSA-N	603.382	5.628	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1OCC	409323224	ZQIPPTCEYLFPBF-PKAZHMFMSA-N	561.454	5.168	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)ccc1OCc1ccccc1	409337564	ZBCSMKYTFRGUDB-YKQZZPSBSA-N	556.531	6.037	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)c(OC)c1OC	409367651	HGRVIQSHIMLQTA-AQLQTECXSA-N	608.544	5.286	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)c(Cl)c1	409371656	FUXNTRDTHHJTLS-QDTIIGTASA-N	628.250	6.177	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1ccc2ccccc2c1	409373761	ULIFXPHXKLZOON-ALQBTCKLSA-N	630.482	7.348	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	409373841	VCDWDNQBNUAUGG-ATZGPIRCSA-N	712.325	7.554	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409374669	WEKAYDCCGGMYKZ-IUXPMGMMSA-N	543.248	7.592	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1I	409386435	QBPGHMCGRWVMKA-KVSWJAHQSA-N	708.275	6.233	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1cccc2ccccc12	409387386	WJCIIXWNELCMOY-WCMJOSRZSA-N	560.031	7.358	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(OC(C)=O)c(OC)c3)c(-c3ccccc3Cl)c2c1	409395473	NZNPWPBQGWNCOD-UHFFFAOYSA-N	783.857	8.329	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396674	AAQREKUMZIKHAJ-UHFFFAOYSA-N	597.071	6.555	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12	409396743	AQBWFZPCCBDCQH-UHFFFAOYSA-N	542.422	7.433	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409397628	MBOOBPRHPQOKEO-UHFFFAOYSA-N	640.843	8.253	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409398940	WSLVXIMWQMXCFS-UHFFFAOYSA-N	593.039	6.750	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(CC)cccc4c3-c3ccccc3)cc2OC)cc1OCC	409399317	ZKLJUVCRCSMZFG-UHFFFAOYSA-N	605.691	7.186	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1Oc1ccc([N+](=O)[O-])cn1	409401414	HBEOSMUTBRIHDR-UHFFFAOYSA-N	660.481	6.897	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	1529547397	KXBFPUGPIDJCIJ-IMBFNDCQSA-N	740.891	6.873	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	1529547994	UWEYSAMRTMUWDS-URFXCETRSA-N	608.720	5.304	50	40	KKGB	
O=C(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)Br)C(F)(F)F)C(F)(F)F	1772820746	HRMNXIPBCXQKQH-HRFVKAFMSA-N	508.959	5.145	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c(OC)ccc4ccccc34)nnc2-c2cccnc2)cc1	1479602	GCWKXFOOTJHHSU-FDAWAROLSA-N	538.633	5.132	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1	1790445	LKCILQMNBUCHRY-HVBJHMBASA-N	508.430	5.736	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1Cl)N2	6073847	RBDLCAIHNKKYNF-QIEDNPPQSA-N	562.906	7.899	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)c1	6137108	QIAXTLOSSRRGFR-RUZDIDTESA-N	516.648	5.463	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccccc3)cc2)sc2c1CC[C@H](C)C2	6167176	IYUOWNWRYDTHNV-CNHQRRIPSA-N	533.650	5.220	50	40	KKGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	8403438	NMMHRLZUEABWJE-XODNFHPESA-N	571.269	5.752	50	40	KKGB	
CCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	8425190	QBPLFEYVFBVKKU-FCGDIQPGSA-N	529.269	5.240	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	12250075	LOIAFMUYDXFOIE-RUZDIDTESA-N	516.598	5.742	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCCCCC2)cc(Br)c1OCc1ccccc1Cl	12655235	AVRSEEKKFNHKHB-MOSHPQCFSA-N	517.851	6.390	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)N1	19940023	IXLZEMGILUMLGZ-HSZRJFAPSA-N	515.462	6.647	50	40	KKGB	
C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C\c3ccc(-c4ccc(Br)cc4)o3)c2C(N)=O)C1	51364638	QKJSKFUCAXEKTM-WZMONFQBSA-N	510.413	5.540	50	40	KKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C\c2c(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)c(Cl)n(C)c2Cl)c1	97964872	QKSCBQCXPSBSCD-IBVUFRQMSA-N	614.574	6.254	50	40	KKGB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21C(C#N)=C(N)N(c2nnc(SCc3ccccc3Cl)s2)C2=C1C(=O)CCC2	98007213	RJGVKGVZGKRFSS-HHHXNRCGSA-N	595.537	5.857	50	40	KKGB	
N#CC1=C(N)OC2=C([C@H]1c1ccc(F)c(Br)c1)S(=O)(=O)N(Cc1ccccc1)c1ccccc12	100032415	JNTNZQMGUSNKTR-QFIPXVFZSA-N	538.398	5.115	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl	100120405	YWTMCGWGWNDRDJ-JEPNHJGPSA-N	574.556	6.483	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl	100120561	PXABETGVNGKEIZ-IBBHUPRXSA-N	542.919	8.111	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl	100129336	RVAFLBMWYNRKJZ-ZMGVVAQMSA-N	603.959	6.396	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)Cc2ccccc2)cc1OC	100304056	XUGMAGQUTAXANQ-CAQPMQTCSA-N	595.121	5.106	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)Cc2ccccc2)cc1	100350337	UKHLVJJSKLOJHS-MNBJERMJSA-N	609.546	5.206	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1	100351441	KBNZKZQVEPYIAC-APTWKGOFSA-N	613.567	5.793	50	40	KKGB	
Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccc(Br)cc3)C2=O)c1	100990633	BUHGVCKGMNGMHY-CKVBZJJFSA-N	522.424	5.093	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccccc1Cl	101042399	CUOGKZOXJQWBCM-MHZLTWQESA-N	548.064	5.751	50	40	KKGB	
Cc1ccc(-c2nc(/C(C#N)=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2NC(=O)c2ccco2)cc1	101339574	SPSKRZDPNNONPS-XDJHFCHBSA-N	522.542	7.196	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2Br)c1	102934985	AFUBGXGMXJTNQQ-CAOOACKPSA-N	605.670	7.206	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2Br)c1	103844745	CFLXISJDMYZIPG-UUYOSTAYSA-N	593.319	6.846	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	103897675	LHVJWARGORZFDZ-KCSSXMTESA-N	610.088	5.439	50	40	KKGB	
CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341658	YGVQFTMOXQBGJL-AWEZNQCLSA-N	842.350	12.771	50	40	KKGB	
CO[C@H]1O[C@@H](CBr)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1	150412645	ZJEJBLWGAZBXNH-XLYJHUFYSA-N	984.043	13.885	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(I)cc1	164744687	KVTHRJYXDJTJRP-YVLHZVERSA-N	672.144	7.884	50	40	KKGB	
COc1c(C)c(C/C=C(\C)CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(OC)c(OC)c1OC	195461052	YHKKAQITXCIVCO-WNAAXNPUSA-N	576.850	7.265	50	40	KKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)C[C@@]34C=C[C@]12[C@H]1C(=O)OC(=O)[C@@H]14	257348547	GUHFPOVODRBWFL-NRVBSYGBSA-N	688.818	8.018	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)ccc1OCc1ccccc1	408540246	PCBFOBLZOJRAHH-BJUCDSOZSA-N	569.872	7.577	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408540288	PQLOSHMJNIHPOY-WPWMEQJKSA-N	570.483	8.079	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408540735	BGYFCQOOXKXWJG-KBVAKVRCSA-N	540.447	5.971	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(Cl)cc1	408551823	GIFGXHXCAKCXCR-YBFXNURJSA-N	596.934	7.438	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	408589025	XYDXPUCFKQPZNJ-IUXPMGMMSA-N	523.641	8.061	50	40	KKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCc1ccc(Br)cc1	408691704	MTKVFFNBKCGLAZ-JAIQZWGSSA-N	567.281	7.146	50	40	KKGB	
O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2	408734245	LVEPCZKHZIDVQI-KYHGBAKBSA-N	520.430	7.040	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(I)cc1	408740405	BSRHAUKAOCOBIZ-WQRHYEAKSA-N	636.227	6.029	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccc(I)c(O)c1	408741772	RXVLZWXONZIZSO-UZWMFBFFSA-N	583.429	6.885	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408742246	QGYKWOZPSVOAJS-JRZNSJKLSA-N	603.553	9.290	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408745260	QQPUEQHAHIILGZ-GRSHGNNSSA-N	569.355	5.641	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccc2c(c1)OCO2	408752526	BIIINCPVGONOLI-NHDPSOOVSA-N	547.405	6.040	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1Br	408753828	ODZUIIRPCWSLMX-VZUCSPMQSA-N	561.999	5.370	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl	408760176	TUTMBMDXUOKYDP-ZSOIEALJSA-N	597.230	5.977	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1	408766084	OMKRQWDVGNFNDP-QRGARVHWSA-N	572.525	5.180	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1	408787486	AUOGTCYHCUSDLK-UDWIEESQSA-N	505.914	5.550	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408793236	NZSBHORMWMYANY-PXLXIMEGSA-N	531.406	5.984	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1	408798257	VJKHGHZFXRIQNL-VXLYETTFSA-N	511.803	6.544	50	40	KKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408803228	MRJIPHHVFLFTPK-NJANSZDQSA-N	626.276	6.077	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccccc1F	408816920	UTKTWSDKZIEFTR-HMAPJEAMSA-N	501.355	6.866	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)C)c(OC)c2)c(OC)cc1Cl	408821875	AALDRMAIWAYPEC-MKMNVTDBSA-N	509.784	5.461	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408833609	TVSNYSXYQUXGIN-JVWAILMASA-N	737.432	8.773	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408838842	JDUFVOCCCZBHHU-ODQASSKESA-N	696.454	9.283	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408841629	FWEXPFFGVPSIPY-ODQASSKESA-N	679.006	9.312	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408849964	BUHBAOTTYXEYMD-XHPQRKPJSA-N	569.683	6.232	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408855792	DVKHQTJHTWRRLP-XZYGTATASA-N	664.622	6.616	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1	408866561	GINYLTRVDZJRPJ-DWTYDGOPSA-N	510.344	5.108	50	40	KKGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	408878128	WRMQAXKGDUIMIL-NSKAYECMSA-N	519.230	5.883	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(C)cc1	408878526	AFLNXJZYJNISPN-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408880057	IPNXTVGALMLGIP-BIZUNTBRSA-N	604.457	5.721	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1ccc(C)cc1	408881285	IUBNVXXNNJZCRO-FSJBWODESA-N	565.464	5.976	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(Cc2cc(C)cc(C)c2)c(OC)c1	408884252	TYTXFPDHFSTGCC-YDZHTSKRSA-N	503.440	6.773	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccccc1C	408885916	GVIOJDGHLAVUAE-YBFXNURJSA-N	560.275	7.588	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1Br	408892370	YYXNSRZMQSHQSC-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2OC)cc1	408895919	MEWNEDXKQMDNRV-UVHMKAGCSA-N	542.038	5.429	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(I)cc1	408898125	KSGNARBCSILCMS-CXUHLZMHSA-N	766.542	7.278	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)c(Br)c1	408922104	DEAMOLIFZOUNSA-RCCKNPSSSA-N	576.288	7.798	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1	408942116	FTSGGXLNZUUERI-HKBQPEDESA-N	722.061	6.720	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	408945455	KTTNLBPCAWWASQ-MHZLTWQESA-N	842.348	6.280	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C	408950786	SKPSQDQABQOTJQ-UMSFTDKQSA-N	720.679	6.865	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)c(OC)c1	408953567	MDKXOXAXYHEISZ-DMFIQNIRSA-N	685.959	5.410	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1cccc2ccccc12	408961785	FAUZSTAEFLJBQI-XZYGTATASA-N	532.562	7.329	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)cc2I)c1	409014414	PNVDIXNJIVLXAP-VPUKRXIYSA-N	841.019	7.660	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409015245	ZBIUQPMZCNJUPT-GZOMZLSJSA-N	739.505	7.625	50	40	KKGB	
COc1ccc(-c2cc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4)c4c(C)cccc34)c3ccccc3n2)cc1	409030012	BNJDGGLFOPIMED-IDWIKUEFSA-N	538.651	7.294	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1	409047158	NDLAGUZFASEUGF-LZYBPNLTSA-N	564.636	7.129	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12	409055735	PPXCAHOTMFYZSO-WKULSOCRSA-N	542.444	5.193	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1	409072398	VIIVILNBADLTDL-DEDYPNTBSA-N	510.999	5.669	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409076394	BCOKFBPPMWZCKP-CXUHLZMHSA-N	623.325	6.873	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)c2C)cc1C	409114003	PFDDNOALNLRFNR-BIZUNTBRSA-N	542.705	5.750	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(Br)cc1	409143355	ZZYLCXFLRNDWGC-HSZRJFAPSA-N	573.285	5.529	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc2ccccc12	409182705	NYFDHZMOCDJKCL-KBVAKVRCSA-N	531.450	6.500	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(O)c(Br)c3Br)cc2c1	409186309	AEMDBUMFOJKWFG-RMORIDSASA-N	526.181	5.225	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12	409218509	FMNFWCMSMCEEAB-ZRIODYHWSA-N	702.552	6.209	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409223274	GOFABUJAXMCDPK-UHFFFAOYSA-N	572.961	5.492	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1O[C@@H](C)CC	409233245	UJGAHRBQCQHHPD-CIKBWMHTSA-N	511.338	6.590	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)c(C)c1	409264172	NJVOTYSSUXWMJY-YLYVUXRMSA-N	767.931	9.130	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409267758	OYJLAIIDFMOLDM-MUXKCCDJSA-N	524.961	5.045	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409272920	UHMZLSVNUSAJCM-FYJGNVAPSA-N	548.437	6.028	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409310290	UAVHWKJCACWGIK-CAQPMQTCSA-N	595.073	5.776	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	409316935	NUBQXKNFXOFUCZ-DBFSUHOCSA-N	629.278	6.357	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OC	409317773	VPBLSZJWMQIWNA-DICXZTSXSA-N	560.388	5.050	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)ccc1OCc1ccccc1	409322574	LZAXUARFNDNMSW-NKHVPTTDSA-N	618.344	8.621	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1	409323395	NYPYEGINQSOAQF-HTVDVWKISA-N	737.323	8.673	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3OC)c(OC)c2)cc1	409370052	KATBNCWJCCFVMM-CPNJWEJPSA-N	580.435	5.428	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409371403	ILIFAANWLGUSDJ-IUXPMGMMSA-N	548.618	7.416	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1	409371894	BIXXXXLPYBENAR-OKCVXOCRSA-N	501.970	5.592	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2F)c(OC)c1	409373110	LSXZPODIJSDHFN-FJEPWZHXSA-N	584.385	5.944	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1	409373788	VTWZJVWLLYSYPS-MXAYSNPKSA-N	502.752	5.283	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4cccc5ccccc45)c(Br)c3)[nH]c2c1	409374531	RZIRNLQTKXRYMH-MTJSOVHGSA-N	528.837	8.084	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3OC)c(OCC)c2)ccc1OCc1ccccc1	409376837	BPOJTHSUVQPYJH-QJOVZPHJSA-N	676.564	6.616	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1Br	409383701	ABMGHSYNGXGTLY-UXHLAJHPSA-N	516.439	5.551	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(C)=O	409395184	KTNHOKKDCMYZGH-UHFFFAOYSA-N	730.369	7.149	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395263	LSSUWOGBAMDQEG-UHFFFAOYSA-N	634.845	7.102	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397313	IOGXLQBZPFWPNA-UHFFFAOYSA-N	546.627	6.201	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409397376	JFJKHQNMGQCXLB-UHFFFAOYSA-N	616.457	7.059	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409398520	UFPGJAPEQPDHGA-UHFFFAOYSA-N	653.860	7.068	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409399340	ZSQHQFIWXWUUCK-UHFFFAOYSA-N	553.571	5.827	50	40	KKGB	
COC(=O)[C@@H](C)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401942	ISVXYOFONGUDND-IZKGUHRSSA-N	594.462	5.733	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(Cl)cc1	409403846	OIFKCKFMTKVAKP-FRKGHFGRSA-N	755.891	9.186	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(F)cc1	409404201	PHLKKEFISFUOOF-UHFFFAOYSA-N	646.513	7.519	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCC(=O)OC(C)C)c(I)c3)o2)cc1	409404578	QHORPEYOKRLGQK-UHIZKJEFSA-N	781.385	6.570	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)o2)cc1	409405920	VILKSPJXONSJMP-UCMJSZAQSA-N	519.601	6.609	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5cccc(C(=O)O)c5)cc4)c3C)o2)cc1	409407219	ZDHJPSYDUUCDNU-BOABNOFISA-N	656.739	7.715	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1	1529548366	DWLJERHVVDMSTM-KZMIEDSXSA-N	773.606	5.062	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccccc2F)ccc2ccccc12	1529548373	DXXMDMXXHAOCSF-FBZJHIGRSA-N	626.710	5.443	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C#N)cc1	1529548631	KIEKIRLVNPPTSN-TXWDNMQDSA-N	652.560	5.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1	1529548923	QGBDRCDDVPSNDG-JKYKOXDNSA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(OCC)c1	1529549016	RXGFWMPEAMIUAN-CCJFGTSDSA-N	731.669	6.465	50	40	KKGB	
C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Br)cc(Br)cc21)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	2033240062	JBHLEOSHZKKTQZ-YCAHYCDJSA-N	693.521	6.391	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	1438177	MBWJISRSUJGDHH-VWLOTQADSA-N	535.094	6.417	50	40	KKGB	
CCOc1ccc(C2=C(/C=N/NC(=O)c3ccc([N+](=O)[O-])o3)[C@@H](c3ccccc3)c3ccccc3O2)cc1	2269454	DXVJWFQKGUSEPC-MLEMOKSJSA-N	509.518	5.938	50	40	KKGB	
Cc1ccccc1/C=N/NC(=O)[C@@H](C)Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1	2740247	IKLBVSRCIVHWPU-PGYFOQMFSA-N	520.662	5.972	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc(C)c(C)c3C(=O)OCC)cc2)cc1	6167402	MXILQONWJDPIEK-WMMCOQJOSA-N	551.665	5.500	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	8406250	LZQDPZHVCQLSLN-RUZDIDTESA-N	589.142	6.631	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(OCC)cc1	20102723	APCAYBQHWBWAQW-AREMUKBSSA-N	503.624	5.191	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1	20209144	MPCCEIIEKOQMRB-ZCTHSVRISA-N	529.662	5.459	50	40	KKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)c(C)c3)c2C)c1	20243650	DYGOJMUZTSLGJL-XODNFHPESA-N	512.517	6.474	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)=C(C#N)[C@H]1c1ccco1	33354749	RGISADRIAJNNRL-IBGZPJMESA-N	596.257	5.370	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccccc2)cc1	59887878	GHQJPBDJLODMIC-FMFFXOCNSA-N	621.115	5.102	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	97944136	CHJWSGDUIJWKOP-DICXZTSXSA-N	541.420	5.782	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1OC	97958814	QAOCOHNULYRMKP-MUXKCCDJSA-N	542.448	5.501	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1	97962652	MEYBOHCHRSKPSE-CQLRZOMNSA-N	581.116	6.404	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1	97981204	AGICTHKWSIXCKU-RUMWWMSVSA-N	550.055	6.024	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(I)cc2)=C(C#N)[C@@H]1c1ccccc1	97999832	OFDANFZQOXZRFM-MHZLTWQESA-N	636.515	6.006	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21	98006160	GSXLUMUFGJVQPR-NDEPHWFRSA-N	575.119	5.531	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CCC3)cc1	98006211	RIQZWMFGTPESCM-QHCPKHFHSA-N	583.661	6.553	50	40	KKGB	
COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3cc(Cl)ccc3OC)CSC2=C1C#N	98048483	DFRZWJMGNGIXJD-HNNXBMFYSA-N	520.836	5.339	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)NC3CCCCC3)=C(C#N)[C@@H]2c2ccccc2)cc1	98048889	JXEXZCOWCCISCY-NDEPHWFRSA-N	558.704	5.380	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1C	100127427	HWZXFULYDGTDSS-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1	100239939	JWHMIPJGWQOFMF-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	100408142	CGGCLLFSJBAYOC-JLHYYAGUSA-N	518.314	6.674	50	40	KKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1OC	100933441	DFNVBGVDCKLUEB-SSZFMOIBSA-N	525.637	5.061	50	40	KKGB	
Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O	100990684	AMPKMCWIQPESNG-UZEPBSNMSA-N	546.490	5.543	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3N[C@H]2c2ccccc2)[C@@H]1Cl	101076826	LGHJZYDFGCMCGW-KXWVNSKHSA-N	505.854	7.940	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc(Br)cc1	101508869	FVXWCOKDAOPZCZ-AJBULDERSA-N	576.564	6.935	50	40	KKGB	
N#CC1=C(SCc2cccc3ccccc23)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	102139593	VWKOASBKCUSXTN-CERRFVOPSA-N	585.072	7.660	50	40	KKGB	
CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528575	WFMSJRTZJQTRCK-QGZVFWFLSA-N	584.389	10.130	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1F	103890034	AQTUKNRGQDPBHC-SXGWCWSVSA-N	550.211	7.028	50	40	KKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)[C@H](Br)[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C	118914773	JGVYFYLJHISGAE-RBEKSRHOSA-N	511.541	6.540	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21	150348066	HRSRLNBEBPXUNF-UHFFFAOYSA-N	689.778	5.351	50	40	KKGB	
CC(C)(C)[Si](C)(C)Oc1ccc2cc3c(cc2c1)C(=O)c1cc2ccc(O[Si](C)(C)C(C)(C)C)cc2cc1C3=O	198020700	VRQTYNVUPHOYHF-UHFFFAOYSA-N	568.862	9.536	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408531469	OEWDKTTVTGSMIA-KVSWJAHQSA-N	565.693	6.315	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(Cl)c2)cc1	408540230	OWABCTVEKMIFAN-QJOVZPHJSA-N	591.535	8.267	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1cccc(C(=O)O)c1	408542273	KGYWVVYFFZSFFC-NHDPSOOVSA-N	569.351	5.729	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552021	RKCIUMRUMQJHJI-KPKJPENVSA-N	513.362	6.519	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552234	PMLGGYPVDQNQPP-RODHXAHZSA-N	748.401	7.366	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408552509	JCXHPYUHLURUJI-OQLLNIDSSA-N	561.219	6.025	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552738	UZHOKVIXQJHRRK-WOJGMQOQSA-N	597.332	7.148	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553244	NBNCJMWDBOKXOK-GZTJUZNOSA-N	535.000	5.854	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Br)cc1	408601478	BBQFPTMLWVLHLS-FQEVSTJZSA-N	538.442	5.231	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408643060	OPAJKUCAFXKIRC-IMWYJMLKSA-N	732.590	6.418	50	40	KKGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1ccc(Cl)cc1Cl	408741545	JLJFIHIWKGFQIY-UWVJOHFNSA-N	503.389	6.590	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1	408746306	RRSFSJBGWQNOEK-ZDLGFXPLSA-N	648.251	6.485	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1O	408755792	MZLZHWUQIBSBSW-WZUFQYTHSA-N	503.123	5.248	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc(C(C)(C)C)c1O	408756219	YFBSPXWEJVKHDI-HPNXWYHWSA-N	536.716	7.802	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408764681	SFTZERCVVJOEEV-RPPGKUMJSA-N	617.261	5.594	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1Br	408768922	MAMQWKDEQCMPTJ-PXNMLYILSA-N	611.117	7.652	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1ccc(F)cc1	408772182	CAJSKDDEOAKGMR-ULPWCQAASA-N	574.248	5.836	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(F)cc1	408780265	WJTYGSMIXTXLMR-UNOMPAQXSA-N	542.348	5.954	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Br)c1	408792574	AZRDOZUPKUXNSE-SRZZPIQSSA-N	554.282	7.262	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1F	408793360	ONNBEKSFRKWJMI-LZYBPNLTSA-N	505.760	6.919	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408794549	JMVHSDJKPMRJLR-YBFXNURJSA-N	602.812	5.864	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1c(C)ccc2ccccc12	408802993	KBMVSKCQBCIMTP-WSDLNYQXSA-N	575.890	8.006	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1	408806574	ADMACUCSBGBHMZ-LICLKQGHSA-N	546.646	6.990	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OC	408809813	JLWKCAZSZLHXBD-RHANQZHGSA-N	565.411	5.838	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(OC)cc1Cl	408833468	SMWPXBRVZPMITM-VCHYOVAHSA-N	523.929	5.399	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C	408833656	TZTUQELHNVICQT-MTDXEUNCSA-N	607.537	9.467	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408836151	ZMMFVECCTGXIDT-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(Br)cc5)c4C)cc3)cs2)cc1	408839629	UVGQUQOEYSLSKB-VTNSRFBWSA-N	584.543	7.796	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccccc2F)c(I)c1	408839900	BFKAQMGCBHLLRW-JJKQSNDFSA-N	654.427	6.921	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408842327	KILXZLHLEOSHOK-IZYHBKOJSA-N	691.003	8.260	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2c(c1)OCO2	408845057	JSKSJTRGBWTPFD-OJYCWLPVSA-N	559.622	6.533	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408845143	OYQKQDYGNHBULB-OCSSWDANSA-N	587.386	5.593	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408847640	TWIYTPYZYNRVRF-NOPDUFPGSA-N	757.902	10.074	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408852028	PXHMKRFSLCPWEB-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4cc(C)cc(C)c4)c3C)sc3c2CCCC3)cc1	408853617	QKOILCUEHXNUDV-OHUYPAJKSA-N	553.732	7.368	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2c(c1)OCO2	408855806	FMPOJBYKWYJLLJ-IDWIKUEFSA-N	573.649	6.923	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)cc1OC	408861179	OUIPQIZYFCGAEH-FADJLKOXSA-N	609.704	5.782	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1	408864526	WTZYSRUYQDTDOF-RUMWWMSVSA-N	545.627	6.069	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	408867300	KIVMSSFQHYBZAF-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1	408869567	PXOZSYCKJCQEBN-MTDXEUNCSA-N	514.047	5.173	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1	408869845	RYXBQWUUPQQJGS-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(C)cc2)cc1	408872444	NKPIHAMFOXKRIE-UZWMFBFFSA-N	602.669	5.227	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccccc2)cc(Br)c1OCc1ccccc1Cl	408880572	JTYFIDFODRGDKN-JFLMPSFJSA-N	533.875	6.323	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1Cl	408881600	NUPBUPYTAQCSGO-DMWKKASYSA-N	684.385	6.382	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(I)cc1	408888276	YJNMYFILBUJEPV-CXUHLZMHSA-N	628.091	7.485	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OCc1ccc(Br)cc1	408890473	UILLMQRKURLYMQ-WOJGMQOQSA-N	589.227	6.187	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc2ccccc12	408892744	CDMFHGTXFFVIHV-LDADJPATSA-N	559.332	6.757	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccc(Cl)cc2Cl)c1	408900668	XLYNZKXCGWOCSV-RQZCQDPDSA-N	528.348	6.043	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)ccc1Br	408907959	QNUZWIRZLUQSEK-GATIEOLUSA-N	503.784	5.672	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1	408942101	FQADKADXPKMUSD-HHHXNRCGSA-N	627.550	5.457	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1F	408947394	CIKRZXKCWZBHMU-MTJSOVHGSA-N	548.412	5.923	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408948772	GPKDFEVTXQXDNS-HMAPJEAMSA-N	500.396	5.775	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2)c(OCC)c1	408951509	UJXVHBCCNDLWLO-LJAQVGFWSA-N	637.158	5.203	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1OCC(=O)Nc1ccc(C)cc1	408953627	WTMVZBYVIXHMGR-ICUTVXMZSA-N	572.665	6.551	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408963546	FHZBNEAYDUWFAG-RBVLXVNSSA-N	665.368	5.343	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	408971604	JZZRXIIXBZWDRL-QWVXJYIGSA-N	608.497	6.357	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	408972451	UBEPCXCTMYXSOW-BKISKBEVSA-N	634.560	6.616	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	408972458	UBEPCXCTMYXSOW-XGFSMUDNSA-N	634.560	6.616	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)/C=C/c1ccccc1	408995186	APHBFZUBSFBCEZ-DAXIWEJOSA-N	623.662	5.746	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)cc2)cc1C	409000862	NLIVNQIQRMRELE-STZFKDTASA-N	508.359	6.033	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc(OC)c1OC	409001042	GBROMPNXURGDQS-FABQOPTDSA-N	646.494	6.019	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1	409002301	NBUIBFMDXNQOBS-GQQFYDRFSA-N	519.557	5.330	50	40	KKGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Cl	409009313	DCLNZLRVTPUBCB-QPDIMOPTSA-N	575.628	6.395	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1	409090918	NRRJPDMCMSYLII-RIYZIHGNSA-N	588.168	6.366	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1cccc2ccccc12	409132188	WWLCHUNGAJUNGE-RUZDIDTESA-N	578.406	5.847	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4cccc([N+](=O)[O-])c4)(c4ccccc43)[C@H]2C1=O	409179791	TWSOONALUGUXMK-FXDIDQDQSA-N	591.023	5.523	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1	409218841	LIPKMAJLUUSKOG-UHFFFAOYSA-N	546.410	6.537	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	409219812	VGFHPCPMDYQKFW-AFMWYRBHSA-N	560.053	5.231	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1	409227768	WNFCZGFQIWFPOK-HSWYNCJPSA-N	554.002	5.984	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)ccc1OCc1ccccc1	409259862	GSUYJKQWBLNBCH-VHFSBPNMSA-N	709.435	7.588	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409301051	CKDAIOLHRGXJGC-MIXAMLLLSA-N	559.040	5.234	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409301726	FZVFQBAVUFCDLU-HQDYHJHZSA-N	670.931	7.274	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OC	409309455	HODMONUZPDTCSG-MWLSYYOVSA-N	584.423	5.672	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC	409310718	BLYDDFQMWYOWOD-NUJZUDFISA-N	590.858	5.300	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409311931	INBRWWQQJFKEQA-NTFVMDSBSA-N	551.448	5.713	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OCC	409326013	FPHPYQIKBOYPFJ-UHBFCERESA-N	606.432	5.969	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)ccc1OC	409335824	YRNJKMYZAYSPEL-NUJZUDFISA-N	530.408	5.491	50	40	KKGB	
COc1cc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC	409370775	DTDJVVAFWQQXEK-AQLQTECXSA-N	608.544	5.286	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1Cl	409371795	IBWNZXQJQVJRGU-QDTIIGTASA-N	628.250	6.177	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)c1ccccc1F	409372543	ZJUSMLXDUQUUGK-NVMNQCDNSA-N	512.176	6.866	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	409372781	KBZYYPFLWFSRKT-KBVAKVRCSA-N	526.434	6.686	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Br	409376088	UEWDRVVCABKAJF-BOPFTXTBSA-N	540.801	5.674	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1	409395451	NSSWNAKCWLVTSA-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396906	CULIQSMNGADIIC-UHFFFAOYSA-N	552.030	7.179	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(F)cc4c3-c3ccccc3Cl)cc2OC)cc1	409398794	VWTKOWKKIGNIKU-UHFFFAOYSA-N	571.992	6.628	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(Cl)cc1	409402553	WPOPSIOZDHALKE-VHFSBPNMSA-N	618.517	7.924	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1O[C@H](C)C(=O)OC	409403434	MXEOSWFVTVBNPK-CPJHJSKFSA-N	594.064	6.022	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	1529547036	IIHZKGOKOZICBE-MOEPSENCSA-N	657.576	5.466	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc2c(c1)OCO2	1531386430	UBJHUEKIKVJOAL-KULFSUQXSA-N	672.532	7.109	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O	1531387099	CAOFLYNSNHUHPP-NROKOJLYSA-N	516.513	5.473	50	40	KKGB	
O=C(N/N=C/c1c[nH]nc1-c1ccc(Cl)c(Cl)c1)c1ccn(Cc2ccc(Cl)cc2Cl)n1	695403	DBYIRLQXIPQSKB-YPXUMCKCSA-N	508.196	5.699	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(Cl)cc2)cc1	1760027	NSNZBXFFPIUZBP-UXHLAJHPSA-N	549.100	5.685	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1	1790534	PTCLYKAUSAJNQG-IVYNLYIOSA-N	528.848	6.712	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1	1900179	YSBHADQTGNZQQI-VULFUBBASA-N	506.975	5.047	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3c4ccccc4cc4ccccc34)nc3ccccc3c2=O)cc1	2214608	KBUFBNLDSKZAIV-HNSNBQBZSA-N	544.636	5.943	50	40	KKGB	
O=C(c1ccccc1OCc1ccccc1)[C@@H](Br)[C@@H](Br)c1ccc(Br)cc1	3129205	ZGISBVXBMLYJKD-SFTDATJTSA-N	553.088	7.111	50	40	KKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(-c2nc3ccc(C)cc3s2)cc1	3198597	LQBZTYSHKUDHRR-UHFFFAOYSA-N	502.668	8.486	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(I)cc1	4062569	DHXFKPQCXPHYSX-KKMKTNMSSA-N	570.309	5.319	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	6445833	NCAUWHCQRGJPCQ-RNBKDOAQSA-N	515.418	6.985	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC3=C2C(=O)CC(C)(C)C3)cc1	13167819	SILJDRJGJQNVJS-RUZDIDTESA-N	522.070	6.094	50	40	KKGB	
COc1ccccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C(/C)c2ccc(F)cc2)n1-c1ccccc1	13882041	HUPKJNNYKSULDO-WIANSCGVSA-N	518.618	5.048	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@H]1c1ccco1	20150230	BQTSYLKNQRLEFY-MHZLTWQESA-N	511.603	5.803	50	40	KKGB	
CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3cc(Br)c(O)c(OCC)c3)CC(=O)N2C1	29749423	JENICOFCSQVJIP-MRXNPFEDSA-N	530.444	5.172	50	40	KKGB	
N[P@](=O)(Oc1cccc2c(O[P@@](N)(=O)N(CCCl)CCCl)cccc12)N(CCCl)CCCl	43366335	FAORJLUJBXGYIV-MEKGRNQZSA-N	566.190	5.290	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1	58871370	OHDOJZIUAYQIPT-UZWMFBFFSA-N	515.009	5.704	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl	59485149	FGMPGODGHALDCC-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	59856626	TYQVLZAAIDKDMT-CVKSISIWSA-N	555.281	5.492	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	83311558	TVWMCBUUFQGIGD-RGXNXFOYSA-N	520.976	7.137	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3ccc(I)c(OC)c3)c2C)sc2c1CCCC2	97960864	QGRFPXPDGUBSJW-MUXKCCDJSA-N	605.498	5.588	50	40	KKGB	
Cc1cccc(/N=C(O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)c1C	97968682	YBXVEFGVUCRXBE-CPUZRTFYSA-N	522.457	7.325	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332089	DDAKZVOUEYVADI-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1	100838278	SQYYHYBGRNVPMH-WPWMEQJKSA-N	536.455	5.338	50	40	KKGB	
O=C(Sc1nc(-c2ccccc2)[nH]c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1	100930370	KSKMJSCLYJMDKY-UHFFFAOYSA-N	531.597	6.222	50	40	KKGB	
N#CC1=C(SCC(=O)OCc2ccccc2)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1	103526633	NECLWXKSVQWBOS-MVERNJQCSA-N	576.593	5.536	50	40	KKGB	
COc1cc(/C=N\c2ccc(-c3csc(COc4ccccc4)n3)cc2)ccc1N(CCCl)CCCl	104076907	PAWQIYBGDFQYCV-MNBJERMJSA-N	540.516	7.432	50	40	KKGB	
CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341302	LRIOCQWEYGLEFJ-ZETCQYMHSA-N	894.182	11.946	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342199	PWBMFHIUHUYCHQ-REOHCLBHSA-N	792.030	9.658	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1	150357885	AJBRDUIHLJKFNW-FFYYKRJWSA-N	645.941	6.309	50	40	KKGB	
Fc1cccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3Cl)CCCN2Cc2ccc(N(CCCl)CCCl)cc2Cl)c1	150373379	ZOPHWAYWTHBRRE-UHFFFAOYSA-N	709.392	9.107	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408526214	BALBFQJTFZVUBZ-VPUKRXIYSA-N	694.138	6.652	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1	408531637	ORZRMQOFHJWFGK-VFLNYLIXSA-N	506.322	5.609	50	40	KKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408537922	IBSQQLUIFNPEST-GXBUFBABSA-N	591.177	8.637	50	40	KKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	408538520	ODYGYFRVENYTSK-MZFJOGFUSA-N	563.123	7.939	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408544455	WDPLBWUAEGODIO-JMIUGGIZSA-N	570.339	5.939	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552416	TXFHFNOGMMCYEP-RQZCQDPDSA-N	676.228	7.911	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1	408579366	GHHLEFNDRKBWPF-VCHYOVAHSA-N	503.223	7.798	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408599061	OERHQMCMMFPHSJ-IDUWFGFVSA-N	570.641	7.903	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408640246	HRNKKCBYTXYJNH-JGRFCZEVSA-N	631.148	5.544	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O	408641597	CSYQAGLXGHXRAO-NXQKYAITSA-N	533.839	5.262	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408660205	WLEJXJHCMQGPKJ-HAXRTYFSSA-N	643.159	5.400	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408688361	WCKIHPSYCCRGDG-TVFCKZIOSA-N	589.111	5.473	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408711775	JXDNGUFRKCRZCB-LUOAPIJWSA-N	681.095	6.554	50	40	KKGB	
CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(OCC)c1	408724639	CVLUPRLCPPGMIC-SXGWCWSVSA-N	511.743	5.392	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408727146	YMGFSQLGYKORLU-GRSHGNNSSA-N	607.275	7.430	50	40	KKGB	
O=C(N/N=C\c1c(O)c(Br)cc2ccccc12)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408730061	DZLYSUSRAQBRQJ-AQLQTECXSA-N	573.472	5.711	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)ccc1I	408746909	HPXBPBNJZAUXTG-ORBVJSQLSA-N	624.089	7.256	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408755120	PSKVLXPDSKWAHS-XNTDXEJSSA-N	548.360	5.224	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408764436	IQBAZQQETCYBMY-RGVLZGJSSA-N	608.426	5.832	50	40	KKGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408787724	FJQZWZOWXFBRDX-KGENOOAVSA-N	582.394	5.358	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408788834	MHTKVMARDZNXAJ-LZYBPNLTSA-N	591.643	6.898	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1cccc(F)c1	408790922	RZLBLDRUMLWPKA-RQZCQDPDSA-N	564.238	7.418	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408791902	FATKYHCXJBTFLP-ZVHZXABRSA-N	570.001	6.960	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1	408796655	YRNHPLOXTMQOQR-YBFXNURJSA-N	509.331	5.499	50	40	KKGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408797500	RXMXQLHOODWTAA-PXLXIMEGSA-N	531.406	5.984	50	40	KKGB	
COc1c(I)cc(I)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	408797501	RYAJGJDUYCNXIS-VZUCSPMQSA-N	564.548	5.103	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(OCC)c1OCc1ccc(Cl)cc1	408797874	UDBDVGNCULOQKO-PCLIKHOPSA-N	501.026	7.209	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC)c(I)c2)cc1	408799043	XZRJDUZQCLTWEX-OQLLNIDSSA-N	569.193	5.175	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(c1ccccc1)c1ccccc1	408807470	CZROURHLLYMLEJ-DPNNOFEESA-N	512.440	7.279	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408813081	DVUDTEFJFNGJHY-PPDIBHTLSA-N	607.096	7.063	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408820966	AXQKZQLTQRAEPU-BUVRLJJBSA-N	652.372	8.858	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1cccc2ccccc12	408827759	MPFMJMPFTSDTSJ-WPWMEQJKSA-N	700.960	8.810	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408828965	KAYOMROGXQHZKZ-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl	408835892	ZRHBQHVQEZIDPY-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408837370	DIWLBLTVLKNFHM-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)ccc1OCc1cccc(Cl)c1	408857612	LHWZVWWDBUUSCX-GUBAARJWSA-N	613.158	6.412	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccccc2Cl)cc1	408860313	YQCOJSVQDNTOJG-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3F)c(OC)c2)cc1	408869877	SHUOFEFGYRYLAN-UDWIEESQSA-N	537.385	5.910	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OCc1ccc(Cl)cc1Cl	408886698	LJDQKXIJERNVNM-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408886724	INPJCVBADSYEAM-LICLKQGHSA-N	623.672	6.840	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccccc1Cl	408887842	RPMDJQNNLQZRGB-HNSNBQBZSA-N	640.905	6.309	50	40	KKGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCc1ccc(Br)cc1	408888981	DEEXUKOETPWFOE-ZCTHSVRISA-N	545.433	5.423	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc2ccccc2c1	408891150	MHEDGPANSMYLED-IPPBACCNSA-N	666.684	7.045	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408898587	XFDVVKKZPVHWFM-OQLLNIDSSA-N	607.236	5.433	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408900177	TXJHLVDDQCOAKI-QXUDOOCXSA-N	615.192	6.890	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1cccc(Cl)c1	408945073	KBPNMRCADXADLN-NDEPHWFRSA-N	672.001	5.567	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408970856	LHKQSUIJFFFMKB-AZEAHAFFSA-N	669.831	7.437	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl	408974371	YKVMUIKPPAKTMD-UUFCDSALSA-N	553.273	5.945	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccccc1	408995268	BEQWYMQRZDBBOV-LQKURTRISA-N	532.350	5.278	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	409003519	SMCDHFGQBWYMSA-WCMJOSRZSA-N	621.831	6.246	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)ccc1OCc1cccc(C)c1	409016675	REMLMDFYLNAHNB-YQHALXOCSA-N	559.707	5.650	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	409025695	YWBSXKXSEZKFCW-AJJFKZFHSA-N	622.143	6.415	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409029121	WMBWRFBEJJSRBB-ZPOUEADKSA-N	599.540	6.498	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)cc(Br)c1OCc1ccc(Cl)cc1	409082341	SGQWZWBHHVHOPR-OPEKNORGSA-N	534.750	5.068	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1	409089326	INHAYSAUIJZAAW-NTUHNPAUSA-N	533.711	6.801	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409089454	JEUGIGKXQRTXQC-RIYZIHGNSA-N	552.292	7.267	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409091335	SSKUMNZFCHENQV-OQLLNIDSSA-N	543.319	6.546	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1Cl	409127489	MTXFWOFPFFCPNC-JOCHJYFZSA-N	515.791	5.505	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(I)cc2)c(Cl)c1	409130397	HRGPFZMTAKDNFF-QFIPXVFZSA-N	530.749	5.447	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)c3ccccc3F)C(C)C)o2)c(Br)c1	409153581	IHHPFSHCGBWZND-QCQFVGOUSA-N	500.368	5.061	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1	409193235	HYVQQUHCEZWWFB-XNTDXEJSSA-N	567.414	6.392	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409194045	MTADFZMZGHJZRY-UVHMKAGCSA-N	577.806	5.043	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409219968	SCVKLWBYMSRDMM-UHFFFAOYSA-N	666.282	6.355	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409225444	QTACJGIGFYFMMC-UHFFFAOYSA-N	609.988	6.993	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)[C@H](O)c1ccccc1	409248172	CISPKCKPDMCHGO-PKEXHZLISA-N	568.265	6.128	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409254380	XELRCOWLQHGXSS-GZOMZLSJSA-N	759.670	8.264	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	409322635	MLLMCOOKPBOBFC-QDTIIGTASA-N	516.381	5.100	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409324434	UFBPYKQHJGZBGE-CNCDYAKUSA-N	595.958	7.019	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCC(=O)Nc4ccc(F)cc4)cc3Br)cc2c1	409334001	GOFLHBAQHQHXFU-BVMLUPFRSA-N	598.425	5.913	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1	409373117	LZUJQWYYFXQMNS-LGJNPRDNSA-N	579.778	5.133	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1F	409378611	QQNBVWGTTSLOOJ-SXGWCWSVSA-N	569.343	5.068	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)C(O)(c1ccccc1)c1ccccc1	409383738	DHVUKKPDCPBBCV-BIZUNTBRSA-N	585.445	5.680	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(Br)cc1OCc1ccc(C)cc1	409392529	QCLVSLMTJMMLRV-JAIQZWGSSA-N	518.411	6.684	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396205	GKLIMBDJNDTQSY-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409396869	CFJHTIPNXHAPIC-UHFFFAOYSA-N	551.574	6.364	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397857	OSNJXRJVXDJWDR-UHFFFAOYSA-N	586.475	7.832	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc([N+](=O)[O-])c1	409405961	VNBKDLJVMLRZKQ-UHFFFAOYSA-N	594.624	6.526	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OC(C)(C)C	409407190	YZFZRSJZDWAJGD-BJUCDSOZSA-N	673.402	7.741	50	40	KKGB	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@H](O)[C@]1(O)CCC[C@]2(C)[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]12	503984166	XDBLYTWRNMYVCA-HCRWVHKZSA-N	544.937	8.836	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	1529548735	MYCBRAFUTCEMJB-JQJFYRLNSA-N	696.440	6.764	50	40	KKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-]	1089238	ULPUTFMZJGRUND-VULFUBBASA-N	520.343	5.158	50	40	KKGB	
O=C(O[C@@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2N=C1O)c1ccc(CBr)cc1	1906326	MQBYZRLPQSKYPU-QFIPXVFZSA-N	562.645	6.620	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1	2706526	OFYGAWMENSAQJW-RDRPBHBLSA-N	563.525	5.785	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	2739012	VMKFDOASBXRIOF-QORSAKDVSA-N	548.672	6.303	50	40	KKGB	
O=C(COc1ccc2ccccc2c1)N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1	3183967	PIHUBEQJKMIPAB-UNSXRHOXSA-N	502.014	5.438	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)C(=O)Nc1cccc(C(F)(F)F)c1	3241517	POXOHBUUZPEYOH-CPNJWEJPSA-N	526.474	6.210	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1)c1ccccc1	8384664	WOPLKVKDJOTTRI-LEWAKTFVSA-N	619.143	5.326	50	40	KKGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1	8439807	RGJDUBQNWWPQOX-WCMJOSRZSA-N	566.989	5.053	50	40	KKGB	
CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	8449637	PHJRZLMQTWPBTR-SPXUEHIWSA-N	569.334	6.015	50	40	KKGB	
COc1cccc(OCc2cccc(C(=O)N/N=C(/C)c3ccc(OCc4ccc(C(=O)O)o4)cc3)c2)c1	8815642	SOYOPOYDGFGVGT-FSGOGVSDSA-N	514.534	5.298	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)c2ccccc2)N1	20029148	SAZSSKWASTYUMV-HHHXNRCGSA-N	515.034	6.395	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)NC(C)=C1C(=O)OC	20348636	ZHQWGMWYPZLNFI-RUZDIDTESA-N	505.640	5.251	50	40	KKGB	
Cc1cc(/C=C(C#N)\C(O)=N\c2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1	35199119	MUXQFAOGOQKUAY-UUASQNMZSA-N	512.746	8.268	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	58915093	PDNLBSLFOJXPDS-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3cc4ccccc4nc3Cl)cc2)c2cccc(Cl)c2)cc1	59646189	BNHZCLWJLNSIRV-ALQBTCKLSA-N	603.531	7.009	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OC(=O)c1ccc(C)cc1	97961871	VNRGBIZKQNQDBA-LGJNPRDNSA-N	546.215	5.512	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c1	100129305	BRGYLHLZEVSXTD-CAQPMQTCSA-N	563.123	5.706	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1	100232862	YSCICNSTQOQIPI-NDENLUEZSA-N	570.281	7.043	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240304	ZVBLJRDENIPEQY-WKULSOCRSA-N	539.963	5.103	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1	100960552	FNEXYJVYQFLUPB-RDKICWGTSA-N	522.457	6.675	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2ccccc2Cl)s1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1	100991376	BBZZSXUASGLXFW-KVILUOORSA-N	591.545	7.106	50	40	KKGB	
CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C(=O)OCC)c1C	101067443	XIXOGKLPVZZCKM-UVTDQMKNSA-N	536.462	6.817	50	40	KKGB	
O=C(c1ccccc1)N(/N=C\c1ccc([N+](=O)[O-])o1)c1nc(-c2ccccc2)c2cc(Br)ccc2n1	101094565	UFEZNQSMBWAJQQ-NTFVMDSBSA-N	542.349	6.241	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Oc3ccc(Cl)cc3)N=C3CCCC(O)=C32)cc(OC)c1OC	102581317	KMIGIBCHTTUHAE-DEOSSOPVSA-N	541.025	5.974	50	40	KKGB	
CCC(C)(C)[C@H]1CCc2c(sc3nc(SCC(=O)NNC(=O)c4ccccc4)n(Cc4ccccc4)c(=O)c23)C1	103078832	NYCKNQFSYJEKKU-QFIPXVFZSA-N	574.772	5.601	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1	103890786	PYEJUPAXXLNKJK-UNOMPAQXSA-N	576.705	8.262	50	40	KKGB	
FC(F)(F)C1(C(F)(F)F)O[PH]2(OC(C(F)(F)F)(C(F)(F)F)c3ccccc32)c2ccccc21	103934148	VITIJJBMGQGSJN-UHFFFAOYSA-N	516.218	5.918	50	40	KKGB	
O=C(c1ccc(Cl)cc1Cl)N(/N=C\C=C/c1ccccc1)c1nnc(-c2ccccc2)c(-c2ccccc2)n1	104289977	BKCRTUKFUYESPB-ZVZHUBRCSA-N	550.449	7.858	50	40	KKGB	
O=C(N/C(C(=O)N1CCOCC1)=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104407110	BOBADWLRXPNNTH-KXYMVQBMSA-O	597.675	5.638	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699070	IAVMEASWSDJJTM-RGMHEACTSA-N	560.119	6.727	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C#N)cc2)c(C(=O)OCC)c1C	107946905	YARDMTLBLFFVPX-OEAKJJBVSA-N	542.613	5.579	50	40	KKGB	
Fc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2F)C1c1ccc(N(CCCl)CCCl)cc1F	150374449	JECMOLNTDQHNRR-UHFFFAOYSA-N	816.495	9.363	50	40	KKGB	
O=C(OC[C@@H](I)CC(F)(F)C(F)(F)F)c1ccc2cc(C(=O)O[C@H](I)CC(F)(F)C(F)(F)F)ccc2c1	150381624	MSXGGRUKKADJCK-GJZGRUSLSA-N	774.127	7.894	50	40	KKGB	
CC[C@H](Cl)CO[P@@](=O)(O[C@@H](c1ccc(Cl)c(Cl)c1)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC)[C@@H](CC)CCl	150385747	HTNSEKFWRQMWCT-SXMDDATNSA-N	683.201	10.514	50	40	KKGB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)ccc1SSc1ccc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)cc1[N+](=O)[O-]	150387085	BNMGCSHVGWVURB-ZIAGYGMSSA-N	669.408	6.104	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(I)c1OCc1ccc(F)cc1	150472951	FDVPVMMXBWZUQC-LZYBPNLTSA-N	630.763	7.236	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	150485594	CKXQLKJVONOMOL-KPGMTVGESA-N	660.536	5.672	50	40	KKGB	
O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1)c1ccc(Cl)cc1	150535420	PKPDIVYSQMZNAG-UHFFFAOYSA-N	636.985	5.532	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C\c3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)c2=O)=C(C#N)[C@@H]1c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2	150555989	RYCHZRJRQYBFLB-XFRNJRHFSA-N	783.018	7.168	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795412	ZMYQRKXENMOIRL-HUUCEWRRSA-N	700.221	10.060	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12	408530117	LELFAUUIOMVMKZ-WCMJOSRZSA-N	579.438	5.903	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408543166	MUYCKLGZEGQORD-GRSHGNNSSA-N	521.913	5.470	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)O)c1	408543316	QEFJOGPHSACQOJ-ZDLGFXPLSA-N	511.759	5.925	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550707	GPSMBMJVKGXYJO-CXUHLZMHSA-N	564.347	6.584	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	408566428	GIMJZLJIJAAYCE-BIZUNTBRSA-N	529.478	7.172	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1	408570171	SKWXWDZMWPPDIS-RWPZCVJISA-N	542.082	5.365	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OC(C)C	408570467	VMZSIPWBIQECTR-DHRITJCHSA-N	586.517	5.485	50	40	KKGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408609722	LELODEFQANEJEF-XODNFHPESA-N	535.225	5.101	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408644677	HEZHPQXCUKQISP-YGTKMWTASA-N	643.159	5.400	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408649037	XCSLMFJPSOIAMB-BJESRGMDSA-N	806.118	7.682	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	408720110	SEVYGQBHOXYONL-WPWMEQJKSA-N	609.340	5.346	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408726571	TUIWTNVATUQKJC-RGVLZGJSSA-N	569.355	5.010	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408740197	ALMKZOBUMZGHGO-HNSNBQBZSA-N	662.325	7.648	50	40	KKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Br)c1	408758489	KZFFMTVUXQBYJK-SDQBBNPISA-N	551.578	6.579	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)c2C)cc1	408778409	UEXCRLQUNDPSFK-UHFFFAOYSA-N	517.029	6.096	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(C(=O)O)cc1	408790501	WOVGUHZWMNBTTH-SRZZPIQSSA-N	582.394	5.740	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1Cl	408792528	AQNHNSLAIYNXQB-VCHYOVAHSA-N	556.800	6.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(I)cc1	408794184	IBQKNCXCAYGUQZ-WOJGMQOQSA-N	682.150	7.340	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1C	408798046	ULJTZWSDGXBNHI-QGMBQPNBSA-N	520.243	8.042	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408799091	XZBPFKCQDFVOTD-FRKPEAEDSA-N	611.636	6.971	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(Cl)cc1	408808404	GHWXGHBYTMJCQQ-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccccc1F	408818696	QEEFOEIAZAKRBO-SXGWCWSVSA-N	609.087	7.238	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccccc1F	408820089	TVPJGSXBDGLLKO-NVMNQCDNSA-N	649.201	6.031	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408820590	XAPIRAFASZFMRC-JMIUGGIZSA-N	694.263	5.405	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2ccc(Cl)cc2)cc1	408824784	AJLATJUOEWKSCP-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1	408824907	BHFOLQFQYQDKRM-KEIPNQJHSA-N	614.724	5.065	50	40	KKGB	
CC(C)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408829951	PBRQDAKUWSEEGB-MJXLXAJKSA-N	661.995	6.843	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)cc1	408839706	VLRRJCHIFVVEFN-AABVJFSESA-N	617.514	7.902	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1	408840263	CZEYUZPAFTYWFX-QNVXDBMFSA-N	595.046	7.984	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408842895	KHMUKLOZIMRHKF-IRWBXMRWSA-N	716.872	9.628	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cc2cc(Br)ccc2o1	408843298	FGDYGKBCNJQDAA-AQLQTECXSA-N	751.156	7.901	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(I)cc1	408847084	MIINNQCIZMTCOH-UQQQWYQISA-N	587.461	6.346	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Br)c1	408847275	STEWDEXLBCZNNK-ZHZULCJRSA-N	645.362	7.286	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2cccc(Cl)c2)cc1	408857660	LOCYXTSEJRKIKT-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3cccc(I)c3)c2C)cc1	408857842	MVKJHRZXKIIYQI-UCMJSZAQSA-N	598.488	7.229	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	408859267	RTCBKMHJWJLGJZ-NNLKUIAGSA-N	658.607	8.040	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408867543	IWQGWQYCAXGALD-UZWMFBFFSA-N	602.669	5.227	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1ccccc1Cl	408880470	JFSZVCURCPMGTD-SRZZPIQSSA-N	585.882	6.321	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408891344	PAEPJXWROXWPDH-WOJGMQOQSA-N	648.251	6.485	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2ccc(C)cc2)cc1Br	408896718	ZGUAQYQIIBNBGA-OKCVXOCRSA-N	630.952	5.259	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc(Br)c1OCc1ccccc1F	408926311	WZOFBZVNCQIXAX-WSDLNYQXSA-N	537.429	7.037	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12	408945357	KOCINOUPSBLDPJ-HKBQPEDESA-N	630.170	5.536	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Cl)cc1	408946983	NFVDKBLUFXDZGO-JGCGQSQUSA-N	677.223	5.931	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccccc3Cl)cc2)ccc1OS(=O)(=O)c1ccccc1	408957185	SSLXHVOPSCVXEP-ZCTHSVRISA-N	565.047	5.849	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)c1	408957255	TUONKYCUOXFUFT-FWUIRIOGSA-N	671.534	5.310	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969969	XXEALFYHVNVZBA-ZTUJDWAQSA-N	613.336	5.225	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408970366	GTQCIXRGFBYRLH-ZTUJDWAQSA-N	662.352	5.620	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408971844	QYDJCOXJHYSEIY-QETZDCFISA-N	612.598	6.939	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408977986	GOFFNNJPNLZEPE-OGJVGATRSA-N	606.144	6.186	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1)c1ccccc1	408980241	QAYPMWDAOVMCHS-BGEOKWEGSA-N	509.990	5.255	50	40	KKGB	
O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccco1	408997016	KZLZKUJOPVQZBT-WKULSOCRSA-N	522.344	5.822	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409009973	ASQVBIWAUCXFJT-GZIVZEMBSA-N	608.024	5.344	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	409025795	WVHJRKQPDXFEEX-QXUDOOCXSA-N	598.725	5.283	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	409046023	HXXBEGFUVFTDCK-UDWIEESQSA-N	533.968	5.007	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409056430	MEQFHUJIDLRVGX-WOJGMQOQSA-N	517.383	5.724	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccccc1F	409079016	KFLGNOZDSUYVBV-HYARGMPZSA-N	524.514	7.096	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1Cl	409126702	FOBGGXNENULTCL-QHCPKHFHSA-N	528.834	5.420	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	409137766	XQLILMAEEPSLPV-NRFANRHFSA-N	546.190	5.853	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1C	409162842	IOUKBSQOESGHQF-XKJRVUDJSA-N	592.277	5.479	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409169420	QOBLVESHMFPLTQ-PNQUVVCRSA-N	577.852	5.379	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2)c1	409219744	PRZXBRCWFKQMAA-NGOKJVHISA-N	692.320	6.755	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409224803	MBOHNLPBEWALAO-UHFFFAOYSA-N	610.386	6.703	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1	409225385	PUVUGUKLFBLDRF-UHFFFAOYSA-N	741.389	6.481	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409230997	AQKPMVXFCNVMST-PPDIBHTLSA-N	648.641	5.960	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)c1	409262083	DWTIEFXLFAVAKM-LICLKQGHSA-N	514.796	6.518	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)c1	409263899	CSELLTRQZSYGSW-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409266805	RMWQNDNISCIMMS-QDTIIGTASA-N	500.382	5.400	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	409310329	AHDCTRIJWUEVKY-QMRORBIVSA-N	713.956	6.631	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OCC	409315489	VQXLKMRLWWGAQM-NTFVMDSBSA-N	511.962	5.779	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1OCC	409315936	OZLRJFPEODARSP-MWLSYYOVSA-N	554.441	5.336	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccccc1	409322278	ISRPBZNTVXODBV-RHANQZHGSA-N	542.504	5.647	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OCC	409324158	RJACXNPOSMUCNL-UHBFCERESA-N	622.887	6.484	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409324220	SPNLJIMDSLAKGB-UXHICEINSA-N	586.856	5.294	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2Cl)ccc1OC	409335567	PADAUUFJKQNYCJ-QDTIIGTASA-N	596.703	6.615	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4cccc5ccccc45)c(I)c3)[nH]c2c1	409374164	KJFYBOIAPZZJSB-MTJSOVHGSA-N	667.288	7.877	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Br)c1OCc1cccc2ccccc12	409379514	WYZCNRAXBXANDT-OKCVXOCRSA-N	524.459	5.562	50	40	KKGB	
COc1ccccc1NC(=O)COc1cccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c1	409383061	QZNBSNOKIJNECN-FZKWRIDDSA-N	591.693	6.652	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCC(=O)Nc1ccccc1	409387919	YKNIJHCHCOZFHW-CCVNUDIWSA-N	552.996	5.643	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409394455	AQPPEMIABPFZDC-UHFFFAOYSA-N	774.647	8.488	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)cc1	409394558	CEGADEDAPYUBII-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)cc1	409394942	HWROBSNSDHICTQ-UHFFFAOYSA-N	710.220	8.414	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccco1	409395493	OGSVXKHTJJOUTP-UHFFFAOYSA-N	659.693	7.729	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)c1	409396248	XGZAEJDDJCCXKN-UHFFFAOYSA-N	724.837	8.071	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409396990	DTVTWUSWJKBTBX-UHFFFAOYSA-N	719.532	6.847	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397796	ODDOWGTZVJBUKS-UHFFFAOYSA-N	563.610	6.234	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)c1	409397915	PKVLAHYTVYYELD-UHFFFAOYSA-N	523.592	7.280	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)cc1	409398082	QHJBZBXGKWDUGK-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409399147	YARKJTUTYLRWPD-UHFFFAOYSA-N	643.696	7.396	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4ccc(F)cc4)ccc4ccccc34)o2)cc1	409403374	MLZHVQGXSBSRAV-GLJXUZQSSA-N	587.651	7.901	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3Oc3ccc([N+](=O)[O-])cn3)o2)cc1	409404219	PKZZIAIDITZWQI-UHIZKJEFSA-N	631.001	6.687	50	40	KKGB	
O=C(CC[C@@](F)(Cl)C(F)(F)Br)OC(=O)CC[C@@](F)(Cl)C(F)(F)Br	885164141	KXPLHILFZWAZLT-YUMQZZPRSA-N	520.873	5.401	50	40	KKGB	
CO[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	2049251885	DFPLCHVNJPFGLA-ZAKMCFTLSA-N	606.744	6.014	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1	1790162	VBTKEAZJMGCWOW-WTALZMIHSA-N	591.289	6.960	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	2174566	GXBOYBLHWYYXCL-WKULSOCRSA-N	546.407	5.738	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)NC2=C1C(=O)CCC2	2309510	DIMJDOLONFFQCO-RUZDIDTESA-N	508.043	5.848	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1	2351519	RHUVKWAWJIYLMK-XDJHFCHBSA-N	514.969	5.701	50	40	KKGB	
O=P(C(=S)Nc1c(Br)cc(F)cc1Br)(c1ccccc1)c1ccccc1	2561321	BMOXCUUHXOSLKP-UHFFFAOYSA-N	513.166	6.062	50	40	KKGB	
Cc1cc(Br)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(Br)c1	3193647	MROFCPKOLWCBKC-YSURURNPSA-N	526.612	5.963	50	40	KKGB	
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1	4179245	RXSIOMWUHMRCNJ-CABLIKTCSA-N	525.624	5.415	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)c(C(=O)O)c1OC	8396775	YDBOXDDDJKCETQ-XWJNOGFBSA-N	700.559	5.139	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	8439824	VIMDWVPJNMJUTE-STKMKYKTSA-N	558.635	5.122	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2C#N)OC(N)=C(C#N)[C@H]1c1cccnc1	8448646	HDJINNOFAXWYEN-HHHXNRCGSA-N	612.136	6.814	50	40	KKGB	
COc1ccccc1[C@@H]1CC(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)=NN1C(=O)CCl	9404280	KNGCGLOXRYGCKE-QFIPXVFZSA-N	506.389	5.774	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	20059468	MBSGCDLTPHJQCH-UQRQXUALSA-N	527.646	5.635	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccccc1Cl	20170881	CBEOPVIBMQQQPB-DEOSSOPVSA-N	526.058	5.214	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	96933941	VGXJXQZKAIAZTB-PMERELPUSA-N	565.098	7.200	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC(C)=C2C(=O)Nc2ccccc2)cc1	97999446	CORRWMKNFCUVSY-MUUNZHRXSA-N	559.091	6.445	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1	98001218	VIGLOYRNZAVXOY-KTGRAOHMSA-N	659.438	6.438	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)N1	98048497	QURCZCNCQGUAAB-AREMUKBSSA-N	532.065	6.809	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1	100063571	UZCZVHLBYOAGAN-AWSUPERCSA-N	546.092	6.506	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccccc1Cl	100233189	SDEPWDWMQFUGQA-OKCVXOCRSA-N	533.968	6.465	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2-c2ccccc2)cc1	100244146	DCCMYXCXJVLOAM-JVWAILMASA-N	536.455	5.338	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	101562635	KTAXQOIUNWTDSB-SANMLTNESA-N	544.076	5.786	50	40	KKGB	
CN1/C(=C(\C#N)C(=O)C/N=C2C(=C3\Sc4ccccc4N3C)\C(=O)CN\2CCc2ccccc2)Sc2ccccc21	102848830	YWZIHKGMCDFDQE-YHRJQQMLSA-N	577.735	5.512	50	40	KKGB	
COc1ccc(-c2nnc(SC/C(O)=C(\C#N)C(=O)NCc3ccccc3)n2-c2ccc(Cl)cc2)cc1	103072053	YTBGAWVMFYXOHR-VHXPQNKSSA-N	532.025	5.340	50	40	KKGB	
N#CC1=C(N)S[C@@H](c2cccc(Br)c2)[C@@](C#N)(C(N)=S)[C@H]1c1cccc(Br)c1	104804486	NSAOTWDYZLQQJG-ZWOKBUDYSA-N	534.302	5.273	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342210	PVJZQFULANQOLK-REOHCLBHSA-N	942.051	11.564	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	169795428	HRLWKNGPMQMMNK-HOTGVXAUSA-N	714.248	10.450	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br	408539871	KFSSBXKKSLULIQ-QRVIBDJDSA-N	527.213	5.843	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccccc1Cl	408541567	GRQQBOXPAXHQQH-GRSHGNNSSA-N	555.812	6.324	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)c(C#N)c1C	408547130	RPSPLQDUOHJTLH-UDWIEESQSA-N	549.446	6.165	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1	408608342	HEWNHYRRPLEGGQ-KVSWJAHQSA-N	533.799	5.062	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(I)cc1	408677931	WCNCQWRUFSIPJY-MUFRIFMGSA-N	589.861	5.896	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	408745176	PUTXZFJEWZWUEX-ZDLGFXPLSA-N	638.218	6.468	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)cc1	408746019	WNUVUCPGXOFIPK-ZDLGFXPLSA-N	529.793	6.765	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408747145	JNYGDEXDEMOPRI-FABQOPTDSA-N	628.350	7.120	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(I)cc1	408747450	OBQGGOAWGLUBIA-YVLHZVERSA-N	668.123	6.949	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408764065	IHQOJEOWUHHVPY-ZROIWOOFSA-N	597.230	5.977	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408764485	XBXLMTQORRQDRN-CXUHLZMHSA-N	698.289	5.674	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(I)cc1	408783433	PCHVGIFRKWQDLP-MFOYZWKCSA-N	569.237	5.463	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1cccc(C)c1	408788416	JYFKKXGMTYMIQY-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(O)cc1	408789328	OTLZJCRPLXQVCM-UDWIEESQSA-N	578.260	7.195	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccccc1Cl	408790797	YWKFDASFAUTMOC-YBFXNURJSA-N	539.760	5.941	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408791397	XCBDOVBSXGLHMW-LZYBPNLTSA-N	583.640	7.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408791468	XXMTYDYDNRPFJH-YBFXNURJSA-N	600.263	6.433	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408792275	ADZXJEKSGLUKGC-ZVHZXABRSA-N	634.324	7.666	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(C)cc1	408793895	GXYAGYXIVPMATI-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(C)c(C)c1	408800071	KCIRSYQEVOSQIB-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
O=C(COc1ccccc1I)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408816579	WKPRVEZLLGWSOS-RMORIDSASA-N	591.652	5.980	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc2c(c1)OCO2	408816650	UGOKGVGPIFKRJH-BVMLUPFRSA-N	577.431	6.394	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(OC)cc1Cl	408827589	LIZMHJPBASCPKN-RQZCQDPDSA-N	517.796	6.789	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408839822	WOHAUJPCWGQDRP-XJECJHNESA-N	677.522	7.750	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)c(Br)c1O	408843283	FFGXNJRCYOMHRD-UHBFCERESA-N	597.307	6.846	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408843586	MICZNPWMBXKYJN-RWPZCVJISA-N	535.467	6.787	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408852544	HJNQWLLCJFKZSB-YBFXNURJSA-N	530.249	7.497	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1	408859771	YWOCAEXRQJHLMD-ICSRMJQJSA-N	620.953	5.384	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408860332	YYWMKRFZGFYORN-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(C)c(C)c2)cc1	408863198	LSRXUSYIFVQMHL-WCMJOSRZSA-N	570.498	6.524	50	40	KKGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408863288	QWHNSESOKMZLTG-FMFFXOCNSA-N	550.640	5.159	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408869441	PKGZILWEGCPPSS-JQAMDZJQSA-N	582.809	6.019	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1	408883831	WVJRZKSTYMPGFN-MHWRWJLKSA-N	521.809	6.269	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408890490	UPQXJPUPBMKMNT-VCHYOVAHSA-N	622.868	5.883	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccccc1Br	408891480	RETXHSCWJXFTBT-PXLXIMEGSA-N	505.412	6.535	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1cccc2ccccc12	408897226	QWUZXPSLGRIMNK-CIAFOILYSA-N	606.860	7.687	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	408897629	ZCIBFTHSHGOKPN-LUOAPIJWSA-N	536.893	7.078	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc(C(C)(C)C)c1O	408898222	VUWKJKORAMFRNJ-AJBULDERSA-N	536.694	5.838	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904706	NIZKOZZJFNZDQR-CPDSRJINSA-N	717.257	7.046	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cc(C)cc3C)cc2Br)cc1	408921721	BMEAPQXTXWPTOF-DEDYPNTBSA-N	555.450	5.696	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N\NC(=O)c4ccc(Cl)cc4)(c4ccccc43)[C@H]2C1=O	408947873	BNMAXIBNYFECHJ-CYCBZHPESA-N	607.022	5.223	50	40	KKGB	
O=C(N/N=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1cc2cc(Br)ccc2o1	408954496	XHBVOQPPIUGACT-AQLQTECXSA-N	568.254	7.998	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)c(OC)c1	408957552	UZZALDNFPVAXQY-JCJXWKAISA-N	645.894	5.091	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408966883	RAXYYKCFWHOVNS-VFLNYLIXSA-N	599.369	5.423	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5)cc4s3)c([N+](=O)[O-])c2)cc1C	408987465	BDBMMUJRHLRFIY-HZHRSRAPSA-N	605.701	7.771	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	408988685	IVHSQYVBJQVPHS-YVLHZVERSA-N	550.667	7.842	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1	409015948	PWPRBMWGTYSAMF-FPWQFUBESA-N	631.513	5.938	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409033209	NVZSHKIGUQXCFT-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409048661	UFIHFPPQJGZORF-LZYBPNLTSA-N	636.094	7.007	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccccc1F	409053218	NCIHWUXAOYBPKD-XODNFHPESA-N	519.798	6.292	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCc1cccc(Cl)c1	409070207	NLOKKMNIKGJIST-HZHRSRAPSA-N	502.998	6.600	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccc(C)cc1	409106262	MZTZSPWMQIXYLX-RUZDIDTESA-N	582.394	5.524	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccc(Br)cc1	409183383	BNODPHJKQMWBFN-RDRPBHBLSA-N	558.542	5.223	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cc(Cl)cc(Cl)c2)cc1	409184587	HAZJDFGEFCZHGV-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)NC1CCCC1	409188453	HQJXJHMYGISNTP-XKZIYDEJSA-N	522.386	5.989	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)c1ccc(OC)cc1	409218803	KZNDPSVRWKTNHP-UHFFFAOYSA-N	581.581	5.058	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cc1	409219429	MLAPQRAYRGEQDD-UHFFFAOYSA-N	600.425	5.722	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)c(C)c1	409251607	AQGKTLBBFQBOAZ-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409256149	JXZTZKVZAKIANF-MBTHVWNTSA-N	571.415	5.088	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1C	409261805	BNCXGZNUWJIOKF-ZDLGFXPLSA-N	528.823	6.827	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409303975	PFOUGJTXPRCGKH-KYHGBAKBSA-N	659.942	6.230	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OCC	409319191	BUXBKXISRZBUQQ-LJUMEUDFSA-N	554.043	5.626	50	40	KKGB	
COc1ccc(Br)cc1/C=N\NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C	409369628	SESIRYRUJYJPOH-FDVSRXAVSA-N	572.525	5.033	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)ccc1OCc1ccccc1Cl	409372226	JPKSASGJWZXTFV-MXAYSNPKSA-N	502.752	5.283	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409372959	OHUZGKKGYPYMMR-PPDIBHTLSA-N	522.772	5.835	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409386974	PFNLYDYLNLBJQQ-KKMKTNMSSA-N	696.165	5.610	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395149	KKPPHTSVXYIEID-UHFFFAOYSA-N	657.351	9.041	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)cc(OC)c1OC	409395567	PCIHIMLSIYGWCW-UHFFFAOYSA-N	775.372	8.388	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395935	UDOARGCPNINSGP-UHFFFAOYSA-N	642.462	6.326	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397259	IAEFWNPXKRFQOP-UHFFFAOYSA-N	566.057	7.405	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409398594	USSMFZDOZVGZFV-UHFFFAOYSA-N	620.027	8.197	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)o2)cc1	409401606	HRGZELILCNJDTL-RODHXAHZSA-N	711.838	8.787	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCC(=O)Nc3ccccc3)o2)cc1	409405653	UGIOWAOHMHZDAU-GXBUFBABSA-N	562.626	6.048	50	40	KKGB	
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@@H]2OC	504321953	KASDHRXLYQOAKZ-HOVOZASYSA-N	810.466	5.719	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1	1529548004	VGCHHFPEHOLEAR-TXFJQYODSA-N	734.616	5.908	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(OCC)c1	1529549051	SGWCYOUUVMMOSR-RNMNIPMUSA-N	746.599	5.293	50	40	KKGB	
Cc1sc2nc(SSc3nc4sc(C)c(C)c4c(=O)n3-c3ccccc3)n(-c3ccccc3)c(=O)c2c1C	1881532	DJSDHAHUBAOOCQ-UHFFFAOYSA-N	574.778	7.241	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cc(C(F)(F)F)ccc1Cl	2085004	OWCRWIDLEMGHDB-VVEOGCPPSA-N	574.408	5.508	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCc1ccc(Cl)cc1Cl	2143428	CCLFTFGJXXEQIK-MHZLTWQESA-N	517.412	7.342	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2)cc1	2368431	QFSDJSHFHMHFRC-RKZIHRPTSA-N	508.430	6.367	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1	3214271	NGXHBLPYQKALAI-UZWMFBFFSA-N	581.654	5.121	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccccc2Oc2ccc(Br)cc2F)cc(OC)c1OC	8781744	NLLCHKCTLMMYTM-LGJNPRDNSA-N	503.324	5.170	50	40	KKGB	
COc1cc(/C(C)=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc(OC)c1OC	12311306	GMFLEASLQBNCIE-RUMWWMSVSA-N	510.590	6.112	50	40	KKGB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=CC(C#N)=CN12	13138590	BAHWTZLXOWHIGV-VABKMULXSA-N	515.407	5.244	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1cccc2ccccc12	58985870	QGKDSZYOUHLCGF-HSZRJFAPSA-N	517.383	5.440	50	40	KKGB	
O=C1C(c2ccccn2)=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2cccc3cccc1c23	95671366	KGKYLEVXBOCTIR-UHFFFAOYSA-N	532.583	7.477	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1cc2ccccc2o1	97960970	FKUBGFZDZSCDTH-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	97981046	NVVKRMAAQCNYQY-OEHLLJELSA-N	527.524	5.119	50	40	KKGB	
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)N=C(SSC3=N[C@H](C(F)(F)F)C[C@H](c4ccc(OC)cc4)N3)N2)cc1	98043203	BZVIHNXGWZHIBJ-YRPNKDGESA-N	578.604	6.428	50	40	KKGB	
COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3cc(Cl)ccc3OC)CSC2=C1C#N	98048484	DFRZWJMGNGIXJD-OAHLLOKOSA-N	520.836	5.339	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)c1	100125120	LODFPWJJWXRTCI-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1	100231798	KSWPSYBRTKSCKE-UHFFFAOYSA-N	598.940	11.230	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	100326081	WHZFVXQIFUENLN-OPEKNORGSA-N	563.748	5.270	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(-c4ccccc4)cc3)nnc2-c2ccc(Cl)cc2)cc1	100851999	DAJUAZNOSZPZAV-PPOKSSTKSA-N	582.129	7.286	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OCc1ccccc1Cl	100955967	UGGACZIAUZLMMJ-ULPWCQAASA-N	607.832	5.213	50	40	KKGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1OC	101507069	WSOZUVCFHTVSTO-JNXCJUGQSA-N	554.559	5.102	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	102245469	GZIDNTJPAHHJSO-KEIPNQJHSA-N	593.709	5.441	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Oc2ccccc2)cc1)=C(/Nc1ccc(Cl)cc1)SCC(=O)NCc1ccccc1	102931654	DLDIFMBBGQXETR-CCFHIKDMSA-N	569.086	6.968	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\c2ccc(-c3csc(Cc4ccccc4)n3)c(Cl)c2)cc1	104085485	MJIFYQGAZUCGAA-MNBJERMJSA-N	528.936	8.089	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1ccco1	112254502	TXQQVRSNVOQTKN-JULXIFHMSA-N	566.411	5.009	50	40	KKGB	
CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341485	LYEBLACQYWQVFI-NSHDSACASA-N	850.276	12.236	50	40	KKGB	
CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341494	BSRDSFXTGRXAAV-LLVKDONJSA-N	900.283	12.871	50	40	KKGB	
Cc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(Sc3sc(-c4ccccc4)nc3[P+](c3ccccc3)(c3ccccc3)c3ccccc3)o2)cc1	200185060	XYGGLFXQLXTUFX-UHFFFAOYSA-N	873.036	11.164	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	209605709	LOANUMXJNSHAHR-ZRGSRPPYSA-N	630.651	6.201	50	40	KKGB	
CC1(C)CC[C@]2(C(=O)O)CCC3=C([C@@H]2C1)[C@H](CCl)C[C@@H]1[C@]3(C)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H](O)[C@]2(C)C(=O)O	245204536	CWHJIJJSDGEHNS-LWWKFQPTSA-N	537.137	5.488	50	40	KKGB	
CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408538129	JNMKRGBDCYFGQG-ZXSNDDASSA-N	619.629	9.128	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC	408539425	HLRLVSJYBGSRPG-VQNDASPWSA-N	611.577	7.939	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OC)ccc1OCc1ccccc1	408540381	QZJDYMKPZZLSIK-JVWAILMASA-N	583.084	7.759	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC	408541381	ZIOIGMBYEKDUII-LQNQUEJISA-N	543.424	7.370	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(C(=O)O)cc1	408544858	XZJWLTDIJPNPTA-ODLFYWEKSA-N	515.734	6.286	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)c(C#N)c1C	408546367	IKPQSOCTTKEWGU-WSDLNYQXSA-N	518.598	5.698	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550916	KRLQJGMHGGVJKE-CIAFOILYSA-N	602.941	8.192	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1	408612235	UPWYPFZOEKHIRS-KVSWJAHQSA-N	532.797	5.526	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408637792	BDOOFGCBRZSDDH-ZYGGUILKSA-N	662.118	5.064	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408641690	LBMXAEBAWWOTCI-YSFYHYPLSA-N	708.812	5.783	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	408683042	MHOUNSYTTGAUGK-IXFQNSDBSA-N	566.677	5.183	50	40	KKGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl	408720019	VTUWFXRPPYADHT-FRKPEAEDSA-N	527.205	6.947	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccccc1	408726238	MISOZEQCEGQHPA-LICLKQGHSA-N	640.646	6.674	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408728258	YPPGXRBDGWZSPM-BIZUNTBRSA-N	623.087	5.572	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1	408729665	BVPFQFGAJVMJDD-RGXNXFOYSA-N	565.427	7.246	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc1Br	408736362	BCSKWJIKXHQJRX-BWKYPOAKSA-N	594.304	5.145	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)NCc1ccccc1	408747211	KOOBHUMGDWLLMX-OCKHKDLRSA-N	618.225	5.764	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)cc1	408747258	LFDQCHOIJAKXON-UNOMPAQXSA-N	507.340	5.281	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccccc1C#N	408752612	FHFCOZGZPCJFQS-JMIUGGIZSA-N	581.264	6.607	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1	408756637	RSTAYQSANXMQDC-YBFXNURJSA-N	558.803	6.468	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1	408761114	HYQYXTMKHIWJAC-KBVAKVRCSA-N	509.949	5.178	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OCc1ccccc1	408762424	KPWHAZXYYVGWTK-FYFIDXDESA-N	649.551	5.031	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1Cl	408771437	GTRDPCYWSKDVNB-KQWNVCNZSA-N	627.910	6.178	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)cc1	408787819	GTCMKGWCPUYSBQ-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(I)cc1	408787893	HIZUKWYHTBIPAE-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408788886	GFDAJWYGSOKLIN-XDHOZWIPSA-N	552.381	5.889	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1	408789679	QXIIVGKLRMEESI-XDHOZWIPSA-N	570.237	6.123	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccccc1Cl	408792072	HJEXXTQJFCOYOY-PCLIKHOPSA-N	617.927	8.205	50	40	KKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408792808	CPNHINSIRIMFLN-KGENOOAVSA-N	519.395	6.147	50	40	KKGB	
N#C/C(=C\c1cc(I)c(O)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795170	LJQCLKYPEOJPNA-LICLKQGHSA-N	622.200	5.726	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(OCC)c2)cc1	408800153	NGGBFLQNMOWJSW-XIEYBQDHSA-N	506.602	7.070	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408811256	AOSYVYGVMLYGMU-CAOOACKPSA-N	536.242	7.742	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1[N+](=O)[O-]	408818071	MTPQCJCIMPUIBM-NTFVMDSBSA-N	533.382	5.896	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408818370	NYLKWDMIEWADII-OCKHKDLRSA-N	531.823	6.466	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(I)cc1	408821558	IWPXJXHTUFMQSO-DBSPGSINSA-N	734.432	8.561	50	40	KKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl	408824937	IIEWWJBBHVWDDH-XDHOZWIPSA-N	515.824	7.560	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408827654	FPRBRGPTHUIOAI-DPNNOFEESA-N	593.149	6.027	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1)Nc1cccc(Cl)c1	408829847	QGKGALWNFZIXMM-GUBAARJWSA-N	595.143	6.576	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(F)cc1	408834474	WFDCDBIDFHXXJE-BUVRLJJBSA-N	591.466	8.235	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1	408835977	OUMDUPBFZDOFEZ-BUVRLJJBSA-N	591.466	8.235	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408839084	MTLRKLWCBSEUHP-CDLBOOTPSA-N	702.641	9.365	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3cccc(C)c3)cc2)c1	408840880	CRLVYDFHTZZGSQ-KCSSXMTESA-N	570.443	6.301	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408844740	PGDDKUHLGUDKKW-IIHBXENTSA-N	619.021	6.538	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC	408846575	TXKLUUAZLDTXGB-QNVXDBMFSA-N	701.357	7.017	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cccc(Br)c2)cc1	408860479	WNMOPJWWEKHWKS-DPNNOFEESA-N	669.985	5.774	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408860634	AQQXROCNCKPDQO-DVRIZHICSA-N	779.846	8.361	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408864925	ACJCJRJRZXSQHM-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1	408870096	UWNDUEUUXKGAPJ-CAQPMQTCSA-N	609.104	5.120	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc2ccccc12	408872178	AOHQJYMLFFKEHG-CIAFOILYSA-N	581.388	7.754	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Cc2cc(C)cc(C)c2)c1	408872199	BALWYPQDHWSVGV-VUTHCHCSSA-N	502.614	7.028	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408885213	XVPRXYVBUNBJIC-LZYBPNLTSA-N	525.741	7.790	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl	408887566	RSNYNUFYKOHUSS-HNSNBQBZSA-N	549.454	6.357	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408889040	AZKZUNSPHPNFPV-UZWMFBFFSA-N	670.525	5.152	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408890546	VMNSOLNNZWXGQN-OGLMXYFKSA-N	508.983	5.424	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	408895887	OJFIXKUZSYNIQQ-SFQUDFHCSA-N	606.292	5.924	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1	408946597	PDBFSDQFJSOXJN-HWIUFGAZSA-N	530.584	6.704	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1	408949678	IQBHLROFVATSQX-XKZIYDEJSA-N	534.443	6.718	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1cccc(F)c1	408962886	KYMNXKWSMAGQEW-KKMKTNMSSA-N	542.317	5.594	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408983359	LOJUWHCWVXLMCO-VCHYOVAHSA-N	594.720	8.241	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	409002035	LRRKORMWLCAIFH-CMNDVVQPSA-N	708.405	6.217	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409014854	QBAXIJPDKWJVCE-ZHSUKTGHSA-N	728.208	8.577	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409019176	YHDSLFGHGAUKLQ-KEGTUQKMSA-N	632.761	6.648	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc(C)cc1	409032733	MZEQUTNSQMPJMT-QXUDOOCXSA-N	562.695	7.604	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1O	409042604	YOKXWWARUXERLL-JFLMPSFJSA-N	537.357	5.375	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1	409077021	CNEGFRJTGMXIHA-OVCLIPMQSA-N	513.293	6.456	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(O)cc1	409093334	YRCIKRXBNIQZSY-NTEUORMPSA-N	525.271	5.309	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc(Br)c1OCc1ccccc1Cl	409111783	CDMHHKKPZDARFS-DPNNOFEESA-N	656.986	6.588	50	40	KKGB	
Cc1[nH]nc2c1[C@@H](c1cc(Br)c(OCc3ccc(F)cc3)c(Br)c1)C(C#N)=C(N)O2	409123244	AZBAQBZPRUTTMX-SFHVURJKSA-N	534.183	5.179	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	409141247	URJGPBREMRRPHN-DPNNOFEESA-N	610.063	5.175	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Br)c(C)c3)c(OCC)c2)cc1	409155450	RDIZIGGLLTVZNG-KPGMTVGESA-N	735.373	5.432	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(CC)cc1	409167701	JKDRJQDMCYEPCY-FJEPWZHXSA-N	648.885	5.012	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	409183065	PMJYAEAUZYAZMW-RPPGKUMJSA-N	646.650	5.901	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccccc1F	409238914	MCWKXNRVXGRJPQ-FPJJECCMSA-N	570.402	6.192	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)c1ccccc1	409239185	OTCCALDZXRTMJR-SXOHWRJOSA-N	520.814	6.338	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409239600	ZNIGVDPOFYHICH-HAHDFKILSA-N	598.335	6.845	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1C	409249382	HQBRXMLGRYGLAG-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(Br)c2)cc1	409258533	UKZRWAGHQFIONK-ODLFYWEKSA-N	627.289	5.870	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1OCC	409304164	QGXJERHQBGTKKL-FDVSRXAVSA-N	608.860	6.094	50	40	KKGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3Br)=C2C#N)cc1Cl	409310014	PCHXDQSULREGGX-CQSZACIVSA-N	520.836	5.130	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1OCC	409315979	LDWCYADKODRJBS-MNDYBZJGSA-N	622.741	7.171	50	40	KKGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	409316832	NHZFHFBOANHSJT-YKQZZPSBSA-N	598.437	5.444	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1OC	409316850	RGHOGGJZKCSEJG-ULPWCQAASA-N	542.246	7.050	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409326118	GYBGNJJTPHXEBZ-KYHGBAKBSA-N	665.453	6.808	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409362584	IHLAEOODSRABCD-MNDYBZJGSA-N	611.307	6.831	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409370128	LQLVFBOZUROBFQ-MOSHPQCFSA-N	519.985	5.619	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(Br)cc1	409372751	IWXYHKKTJSSODH-FJEPWZHXSA-N	598.291	6.725	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)Sc1nc2ccccc2s1	409384061	YVAWFBAYFZKQOZ-WOJGMQOQSA-N	524.421	7.203	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409390584	FMOZAWBNCRADDF-WCMJOSRZSA-N	577.435	6.050	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	409392510	PVQFECAZMYWFMG-GTWSWNCMSA-N	509.562	5.855	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409394700	DUNFFFAEOUQTLF-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)c1	409395570	PEFJJTQHDVBXON-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)c1	409395918	TZOJMSPZGMZTTL-UHFFFAOYSA-N	679.796	8.613	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409400631	DUZCCTXHWKVPSD-CZEFVEKGSA-N	639.459	5.641	50	40	KKGB	
CC(=O)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409403837	OGOCTPOANPMMCV-NUJZUDFISA-N	550.955	5.517	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(Cl)cc1	409405677	UMPVAXKHAUIHDL-KOKCXWAISA-N	676.995	8.424	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)o2)cc1	409406646	XJVLBLDXHIAQRD-AEUUOICLSA-N	616.487	7.511	50	40	KKGB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1C	409407388	FOVQEBJDLVJBMK-HQDYHJHZSA-N	564.642	6.444	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1	1529548705	MCWCWQOCRYRYSU-RNMNIPMUSA-N	655.148	5.342	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(C#N)cc2)c(I)c1	1529548772	NRDCMQBOQGKSTC-LVOLJPLZSA-N	788.462	5.389	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccoc1	1438275	GDWCFLSSYXNICV-RUZDIDTESA-N	579.476	5.757	50	40	KKGB	
COc1cccc(COc2ccc(OC)cc2/C=N/NC(=O)COc2ccc3ccccc3c2Br)c1	3174436	RKKRHVDZFSHJAB-OKCVXOCRSA-N	549.421	5.728	50	40	KKGB	
CC(C)c1ccccc1-n1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1	3300836	RNPUSQVJALDZIM-UHFFFAOYSA-N	506.031	5.264	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	4062354	FFSLBCVRPJTTJO-ODNPBWNPSA-N	533.638	7.274	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc(Br)c1OCc1ccccc1	6166557	ZRGYMJFRBPIXBO-ROPCREHHSA-N	617.525	5.934	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](OC)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	8691366	BKAIZLBGUQUUEI-WQKGSOFNSA-N	509.606	5.528	50	40	KKGB	
CC(/C=N/NC(=O)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-])=C\c1ccc(C(C)C)cc1	8780754	DQBKEPZHELPJFV-VNXGRSMXSA-N	510.392	5.545	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)cc(C(C)(C)C)c1O	8843223	WPGDEFRFBVHKLX-HNSNBQBZSA-N	504.646	6.788	50	40	KKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)cc1	11852440	PVXLSOGRYCEGPP-VUTHCHCSSA-N	544.676	8.431	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1cccc(Br)c1	19861224	VVXWRJMVJFYJLW-HYARGMPZSA-N	507.504	5.534	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	20507032	QRCQMDZUNDOFMI-VWLOTQADSA-N	524.086	6.366	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	59856048	VRCGZNZDUCTEAM-HNSNBQBZSA-N	608.116	5.590	50	40	KKGB	
Cc1cccc(-c2nc(CN(Cc3noc(-c4cccc(C)c4)n3)C[C@@H](CCl)n3cccn3)no2)c1	69490289	GKGIMUUYZDWDEM-JOCHJYFZSA-N	503.994	5.082	50	40	KKGB	
O=C(N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C1=NNC(c2ccccc2)(c2ccccc2)C1	100029422	KYXZGGBGIJATMV-NDZAJKAJSA-N	550.531	5.039	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	100063474	SRTFXZLVVLLJOD-VFLNYLIXSA-N	615.149	7.189	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	100127109	OMGFADWGYRGPMT-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)Cc2ccccc2)cc1	100129258	IHLJTLHIDGXYNW-MZFJOGFUSA-N	542.705	5.361	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc2c(c1)OCO2	100182425	YLUHXQAWAGUQPC-KALUYTGESA-N	566.633	5.937	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)/C(=C/c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)o2)cc1	100210855	KLOFLLTVDBGJHR-RADJSOBHSA-N	550.615	5.111	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cc(Br)ccc1F	100853065	WDCXOXWWEODERK-UYOCIXKTSA-N	531.885	5.628	50	40	KKGB	
CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528326	VIAIGVBNNAERGV-GFCCVEGCSA-N	564.261	8.814	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)o1	112255948	CHWVRNAEUXAHBA-AUEPDCJTSA-N	537.164	5.364	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(=O)c5ccccc5)CC[C@H]4[C@@H]3C[C@H](Br)[C@]2(O)C1	118912422	TZBBEXALLZOART-PYWLCAGWSA-N	533.503	5.675	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342113	AWLCINIGAGVNCB-UWTATZPHSA-N	742.023	9.022	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	150422103	TVPNOYITTJRVPT-NVMNQCDNSA-N	629.119	8.402	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)ccc1OCc1ccccc1	408537460	FKJJDLRYRKDJOL-AEUUOICLSA-N	642.575	7.812	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)Cc3cccc4ccccc34)cc2)ccc1OCc1ccccc1	408539987	LJHMUIDBQGDACF-GMEAVFFOSA-N	544.651	7.089	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)[nH]c2cc1C	408544321	VLLMCWGXXQBSFW-GIJQJNRQSA-N	555.245	7.487	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(F)cc1	408644348	QZORTAHWIVUIBF-TVFCKZIOSA-N	635.111	5.295	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408710727	HSXMUJKFQYYAAL-IPBVOBEMSA-N	617.121	6.879	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408744867	NTVJIEFJFKCIMP-WQRHYEAKSA-N	576.274	7.288	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)ccc1I	408747367	MWXWUVAJKCNCEF-LUOAPIJWSA-N	662.091	6.307	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc2c(c1)OCO2	408759901	NRMDLOVZRIFPKW-LSCVHKIXSA-N	600.263	6.464	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408769112	OBZQYKMMSDBNSR-JWGURIENSA-N	583.857	5.779	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	408781978	UWQGLNHJSFMRHE-KCSSXMTESA-N	562.478	6.645	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	408791320	YOMXJEWXSHNTAO-MGIIWKBQSA-N	535.625	5.444	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC	408793349	OMYGANINZYLPIQ-XNTDXEJSSA-N	553.194	5.563	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408799477	ZFLJLISYMNTIKT-LZYBPNLTSA-N	594.192	6.631	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3c(C)ccc4ccccc34)ccc3ccccc23)cc1	408810176	IIAHJLFPRDZLKX-LGUFXXKBSA-N	526.592	7.213	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408814330	FOGOLMIASLJZAB-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1F	408816076	KILMHDDBYUYDEC-SXGWCWSVSA-N	564.636	7.129	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1	408816880	UROCEFRABPFAQP-GRSHGNNSSA-N	546.248	6.567	50	40	KKGB	
Cc1ccn2c(C(=O)N/N=C\c3ccc(CN(Cc4ccc(Cl)cc4)S(=O)(=O)c4ccccc4)o3)c(C)nc2c1	408827322	GPKWXJKKTNKERP-LJUMEUDFSA-N	576.078	5.353	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1	408828422	MMOSDYWTNXLLOD-FNTLCPBMSA-N	714.638	7.205	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1	408831718	VDBAHBYIGIXHOJ-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	408839595	AVCGIUMIKGOCBI-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408843772	NOTQBUVXVCBCBH-XJECJHNESA-N	725.846	8.244	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408847452	VSYHPLNCJRXKTB-OJYCWLPVSA-N	655.492	7.098	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc([N+](=O)[O-])c1O	408848615	RJVVRTINZACJPC-RQZCQDPDSA-N	528.348	6.131	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408853393	RWABZGJVHBYANQ-AABVJFSESA-N	580.581	8.301	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(Br)cc1OCc1ccc(F)cc1	408860232	ZALNKFAIZNZUMU-VTNSRFBWSA-N	564.455	6.737	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1	408862791	JERLWZZQERUTPE-MTDXEUNCSA-N	514.047	5.173	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1	408870954	XMVUAGVDLBITIB-KWQVAVEISA-N	705.620	6.954	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1	408880491	KERFMLDRDIZKQT-WKULSOCRSA-N	570.814	6.449	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	408883124	SWDVAWZNPVYQGP-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc4ccccc34)c(OC)c2)cc1	408883175	TZQUVJHWRYUEJB-HAVVHWLPSA-N	520.541	5.790	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC(=O)c1ccccc1	408886776	IZEZQOSQTIMZKM-CXUHLZMHSA-N	546.204	6.529	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c(OC)c1	408948151	CERRZFGUNBYRBZ-GGMOOUJYSA-N	767.404	5.906	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCc1ccc(Br)cc1	408948983	QDJOFWHDMIFUJQ-MUUNZHRXSA-N	793.478	5.526	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccccc3)cc2)c1C	408953312	XLKDINVMGWWASS-UMSFTDKQSA-N	651.789	5.558	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1F	408954104	YMCMOCHJTIJZLO-NDEPHWFRSA-N	655.546	5.052	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408964302	QQQFNGSBVZPSIE-RPPGKUMJSA-N	524.873	5.254	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	408983935	OPTWKSHCITWKFT-CXUHLZMHSA-N	568.795	5.139	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccc2ccccc2c1	408999061	RGTMTEXGTMLCJJ-GOJREDGKSA-N	570.490	8.491	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409011645	GSLPJYCTUMZOPS-FOWDRRQGSA-N	607.582	6.982	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc12	409021288	ZZONINUPDLMBTA-BHGWPJFGSA-N	549.162	5.726	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1OCc1ccccc1	409027416	DDOJXAWHUVWQEN-ICWYPFNYSA-N	573.671	5.371	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2[N+](=O)[O-])cc1	409035893	QOHROVIUOPLHJQ-XZYGTATASA-N	653.489	7.092	50	40	KKGB	
C#CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	409040852	UWFIINZAPBBYMB-MUFRIFMGSA-N	501.011	6.291	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c1	409080969	OTGIPJMAMYLQGD-OVCLIPMQSA-N	513.293	6.456	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409088807	YJLKWPUWDCEKFE-MHWRWJLKSA-N	531.874	7.004	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409092784	WRWXKNGROGZVND-OVCLIPMQSA-N	566.319	7.657	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(F)cc2)cc1OC	409118401	QCDUYNWHDPHOJN-VTNSRFBWSA-N	599.084	5.249	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1cc([N+](=O)[O-])ccc1O	409145543	ONDIFLJRFCIWIM-JNKLFMMNSA-N	608.610	5.420	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3Cl)o2)c(Br)c1	409150915	FOZCOVYWBSUSPB-LKHJKXADSA-N	565.295	6.619	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409153364	LHGHUJGBDDSRDW-VPUKRXIYSA-N	675.694	5.366	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1	409159677	WESMXWHOPPGEFK-KLPHOBTLSA-N	627.801	5.236	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)cc2c1	409183652	FIGXRMPACMSPBE-VYYCAZPPSA-N	585.354	5.687	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409222585	CIXMEEYEHOZNJT-ZMGVVAQMSA-N	566.828	6.882	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409227284	XTFNCGIZTFQVDT-MWHXDIRXSA-N	608.607	5.637	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1ccc(Cl)cc1	409259420	ZIXFCXVKWMOZID-SDYRLMNSSA-N	520.029	5.383	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl	409263402	JBHAOMRVGKWGLU-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409267314	STCPHRUGYBWBSS-YSYOEVFLSA-N	786.479	8.645	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1Cl	409267515	WJWQRLMEQHTKTH-CAOOACKPSA-N	605.670	7.163	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1OC	409310242	SRGXAZGQZLZPPD-MWLSYYOVSA-N	507.974	5.003	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OC	409325108	XECRDDAYYKGKKW-FDVSRXAVSA-N	528.392	5.348	50	40	KKGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Br	409337568	ZBWHYRNFABGQBB-QRQIAZFYSA-N	509.400	5.756	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(I)cc1	409367623	GIDAJICOFPTZGV-UNOMPAQXSA-N	516.176	6.697	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccccc1Cl	409374538	SEIWMXJRTZZSEQ-ZDLGFXPLSA-N	508.803	6.939	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccccc1F	409378824	SBAXDFNLTLEMCS-KVAAJVFYSA-N	600.075	7.128	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409394430	AHMPSUTUQSDHNT-UHFFFAOYSA-N	731.184	8.558	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc(Cl)cc1	409394582	CLEAORSQVPFMBT-UHFFFAOYSA-N	622.906	8.387	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1	409395479	OBVDMDPHHZAVCG-UHFFFAOYSA-N	671.729	7.598	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)c1	409395667	QMIXLQLWZAZPNS-UHFFFAOYSA-N	731.828	9.158	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396109	ATTZTCUZRNHRMT-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396391	PAFJZGRTQBCRPB-UHFFFAOYSA-N	694.955	8.111	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC(C)=O)c(OC)c4)c(OCC)c3)c(-c3ccccc3)c2c1	409396497	TTWAICNPONNLEU-UHFFFAOYSA-N	635.673	6.549	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccccc1Cl	409398459	TWUNWJOWXFMVBZ-UHFFFAOYSA-N	528.395	7.125	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409399291	ZBKKQOWVZRJTHR-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2I)cc1	409400194	BZJHHIJHGJZSCN-VHFSBPNMSA-N	785.420	8.127	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)N(c3ccccc3)c3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1	2215122	VCVDUUMSTNMFGB-PMERELPUSA-N	549.696	6.858	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	2553722	IPPYISMAWLOZAD-FYJGNVAPSA-N	520.441	7.165	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1F)C(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl	3669851	OMOZRBIRKSCXDB-NRFANRHFSA-N	535.244	6.836	50	40	KKGB	
COc1cc(/C=C(\C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196238	YNOHDXZDTCZDKZ-REZTVBANSA-N	568.092	8.170	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccccc2)N1	6137126	YQGGXRRXXUFFGA-SANMLTNESA-N	534.468	6.944	50	40	KKGB	
Cc1ccccc1[C@H]1C(/C=N/NC(=O)CSc2nc3ccccc3s2)=C(c2ccccc2)Oc2ccccc21	8399768	DCANPJPPOYCENZ-JBDQIUBMSA-N	547.705	7.435	50	40	KKGB	
N#CC(=C/c1cccc(OCc2ccc(Br)cc2)c1)/C(O)=N/c1nc(-c2ccccc2)cs1	20530462	NPAVLWCNJGXBIT-BKUYFWCQSA-N	516.420	7.347	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1ccc(OC(C)C)cc1	22843053	LDYXOMNZHHLYHP-LQNQUEJISA-N	518.411	6.311	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1c(O)ccc2ccccc12	38167667	KTOVYXPCDFTUNS-WKULSOCRSA-N	501.011	5.839	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)c2C)c1	58915394	CHMCGMXVXKWAHL-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	59472977	UXLGTAINBOJMHT-TWKHWXDSSA-N	513.619	5.163	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	59856250	GXGUZHOLSPZIRE-XBQJKBNESA-N	569.686	7.152	50	40	KKGB	
CN1C(=O)[C@]2(C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	98007200	JCKUDIXTAWTFME-LJAQVGFWSA-N	622.698	5.921	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccccc1Br	100046920	MLUJNOXHFODLLD-DPNNOFEESA-N	595.534	6.920	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1ccccc1	100100571	UTJBDCDIRVZERX-BRJLIKDPSA-N	535.305	6.003	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	100127098	GDLQFIQPOJACEG-ATZGPIRCSA-N	589.039	6.112	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(Cl)cc1Cl	100477812	POOGWFKTVGKJIC-HNSNBQBZSA-N	555.421	7.790	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	100852490	LWVULMHVBMIJPB-MWLSYYOVSA-N	532.691	5.276	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100853255	SZLMMJBFKHWVCI-DXJNIWACSA-N	548.112	6.526	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1)c1ccccc1	100952423	PFHIPPBUJBIHEV-HUZSXYRPSA-N	540.483	5.089	50	40	KKGB	
O=C1OC(=O)[C@@H]2[C@H]1C1(C(=O)c3ccccc3C1=O)N(c1ccc(Cl)cc1Cl)[C@H]2c1ccc(Br)cc1	101071563	FMQCFIUDMIRRCJ-NJYVYQBISA-N	571.210	5.451	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	102808389	MVAGHNBEAUZXOM-AREMUKBSSA-N	534.037	6.053	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	103896868	WYWLJJDTFIMBOQ-KCSSXMTESA-N	595.121	5.419	50	40	KKGB	
C[C@@H](C/N=C/c1ccc(N(CCCl)CCCl)cc1)/N=C\c1ccc(N(CCCl)CCCl)cc1	104077935	MJQAOIFNPCAOCI-VCTYGSHOSA-N	530.371	6.181	50	40	KKGB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1	150339206	HFVNWDWLWUCIHC-KHZRKLIUSA-N	646.652	5.415	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1cc(Br)ccc1O	150420679	NWGQEHIWKTVNLF-KVQWCIQESA-N	626.894	5.775	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)cc(I)c2OCc2ccccc2F)c(C(=O)OCC)c1C	150577395	MJWTXUFEZOSYHC-VXLYETTFSA-N	787.385	7.056	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1	162430070	OWNBMWDESJCYTD-HWLOXFRGSA-N	632.742	6.172	50	40	KKGB	
COc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1	209527482	SCRXZSJLWNMGAI-WYMPLXKRSA-N	517.177	5.521	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](O)[C@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C	253617287	HFSJNSPDLDRBFD-BYSVKYECSA-N	599.603	5.442	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1	408537454	FJHCIQHNXWMTJV-NLRVBDNBSA-N	539.031	7.442	50	40	KKGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl	408555592	YCFDBZAJGNRKCF-LFIBNONCSA-N	500.769	6.210	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCC(=O)Nc1ccccc1	408566533	AJBDHRQANAWUNT-SXGWCWSVSA-N	521.346	5.555	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1	408582149	MCWIIVBIGHSYCB-VCHYOVAHSA-N	533.647	7.517	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc(Cl)c1	408598531	CLRCMGSIKKLTJB-IUXPMGMMSA-N	548.618	7.416	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1OCc1ccc(Br)cc1	408606563	MIZVGCLEXQIHRY-HXUWFJFHSA-N	538.442	5.150	50	40	KKGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c1	408607759	OEEKDZDGVIEQIJ-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	408611079	PWNJZFJRMVVLLY-LGJNPRDNSA-N	500.780	5.079	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408643545	PRJWUDJWODYUEW-HNNXBMFYSA-N	865.809	9.231	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1C	408650655	MOTKSGAKQPMETB-CDEZGAEXSA-N	657.186	5.628	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(Cl)cc1Cl	408721873	ASVUVGZCXMMKAI-KBKYJPHKSA-N	651.069	6.546	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccccc1	408732685	XHRHIRKOHOWNJL-WUFVBDPGSA-N	531.999	5.307	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2-c2ccccc2)cc1	408739999	HLOJQKJTNPEHSF-FADJLKOXSA-N	548.042	7.405	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408743505	GHORVSUBICANST-NVMNQCDNSA-N	526.774	6.444	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747440	NYICNBLPBZDWHC-PXNMLYILSA-N	703.087	6.922	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408766492	UVPHBDVDBGMQHX-ATVHPVEESA-N	572.393	5.069	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408790602	QGWCGXOLMAIITB-LZYBPNLTSA-N	581.091	7.643	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1	408798075	UPADCYFRFDJGHZ-DEDYPNTBSA-N	521.367	5.671	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	408798782	XFOIUWBDJKUUFT-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc(I)c1OCc1ccc(Br)cc1	408809450	RPIBZGXHTZJZST-VCHYOVAHSA-N	667.725	7.239	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408822313	LNWPRMRWBPGYLW-GRSHGNNSSA-N	590.699	6.676	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC	408830858	NSOSCDPDENNETH-CCVNUDIWSA-N	594.915	5.082	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408836316	PXAKUUQSXYZDFT-WGOQTCKBSA-N	676.405	8.622	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)Cc2ccccc2)cc1	408839153	NXEUTNSKOILZDH-MTPJTBBXSA-N	582.454	6.013	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)c1	408839273	PVFNCIQNAUWPML-QNVXDBMFSA-N	681.395	8.514	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408840974	GZTUAVQNDDMMLJ-IURWMYGYSA-N	589.983	6.739	50	40	KKGB	
N#CCOc1c(Cl)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl	408841154	FUURHUVEGNRUOZ-ORBVJSQLSA-N	528.343	5.807	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1	408841633	FXOFPQNCNKQUNG-KVAAJVFYSA-N	602.499	7.752	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)cc1	408847868	WJVTUJCMMNQHKM-BRZNVLFUSA-N	608.547	7.070	50	40	KKGB	
CNc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408855077	DCXLFHALOADBFX-UHBFCERESA-N	660.297	6.468	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408855317	CGZWYYZSJSGKLJ-ALQBTCKLSA-N	642.561	6.325	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1	408855796	DWNAOEKPDZKTQM-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1	408861807	DFTFVVGVSVLIMI-FADJLKOXSA-N	575.690	6.106	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(C)(=O)=O)c1	408863790	QXJSGQWFEVUWGA-VFLNYLIXSA-N	645.359	5.268	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408864210	TYPHVCOZMAPGOG-PPOKSSTKSA-N	605.116	5.645	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1Cc1ccccc1F	408866010	FWFNZBISSSVZQI-RGVLZGJSSA-N	540.376	6.192	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)n1-c1ccc(Br)cc1	408923474	IRADRKWNBDSTEL-KCSSXMTESA-N	552.557	7.240	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1F	408925304	QYHSULRGIHNBTL-OKCVXOCRSA-N	521.386	6.483	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c(OC)c1	408958606	ZLDAJMJRLCWFPB-QVTHKRDASA-N	846.300	6.668	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408965266	JSCHFNFNLKZXND-IPPBACCNSA-N	595.406	5.592	50	40	KKGB	
COc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408995467	JMHXHYHOVFZIHH-UHFFFAOYSA-N	714.669	8.931	50	40	KKGB	
O=C(COc1ccccc1I)N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1	409022397	NAFRKWRDSJQESK-JJFYIABZSA-N	528.824	5.686	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1ccc(I)cc1	409022791	FLOJZLKRQGIGCY-CPDSRJINSA-N	646.279	5.719	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)ccc4OCc4ccccc4F)cc3)cs2)cc1	409037714	UJBJMBKLDLXZMY-KVAAJVFYSA-N	571.077	7.998	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCC(=O)Nc2cccc(C)c2)c1	409056189	KZBYOYXMJUDROE-XDHOZWIPSA-N	509.484	5.586	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409064294	OTCXXJKUKCNMLL-HZHRSRAPSA-N	541.608	5.621	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OS(=O)(=O)c1ccccc1	409071203	FZNAMYAWCBWWLQ-JJIBRWJFSA-N	516.619	5.744	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1	409076173	ZASQASPSMWURLF-LFIBNONCSA-N	551.835	6.359	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OS(=O)(=O)c1ccccc1	409076204	ZMZXDFZOORCMKP-SFQUDFHCSA-N	572.380	5.663	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1	409093114	XRAGCZBYTFTCJX-NTUHNPAUSA-N	606.158	6.505	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c2cccc(Cl)c2)cc1	409109662	IXCHAJLBLQBMKG-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(Cl)cc1Cl	409138008	YEDZIHGHWSHRFY-SANMLTNESA-N	649.413	7.116	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C	409163707	WRJNQMIXCYPKFZ-PNQUVVCRSA-N	622.303	5.488	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C	409166210	DAOMAXDZNZHVAB-IURWMYGYSA-N	636.330	5.878	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	409215384	XRAIAMZOZNTMMF-XODNFHPESA-N	659.771	6.927	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1	409218830	HMBHRBSUDGQVFH-UHFFFAOYSA-N	522.517	5.139	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)Cc4ccccc4)cc3)cccc2[N+](=O)[O-])cc1OCC	409219926	RRYCARWYASLYFO-ZXSNDDASSA-N	610.623	5.557	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1	409227497	ZHQBBRDVDAPUGY-XDHOZWIPSA-N	597.409	5.180	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409248730	IFVWPRFUGWYGNH-CTPANLQCSA-N	536.382	5.729	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409249553	JQYIGEADEGODHM-IPBVOBEMSA-N	633.111	6.502	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409252265	CYOAGQAGTJZDPI-CAFFOWHZSA-N	605.316	6.237	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1C	409255550	HWIOEKFUGKWCEX-XDHOZWIPSA-N	567.383	5.171	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)cc1	409260396	PUKSMRSKEBWGCA-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)cc1	409267499	WDBGPIKPPJAHDH-MOSHPQCFSA-N	534.410	5.638	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)cc(Br)c4OCC(=O)Nc4ccccc4)cc3)cs2)cc1	409267553	NQYQYSOBEGSZQA-QMRORBIVSA-N	719.459	8.169	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409301865	GXJCNIXGIUFUJO-APTWKGOFSA-N	589.486	6.778	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1	409313158	HVFITCHGMGSBTP-BKUYFWCQSA-N	551.811	7.750	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	409314414	GBMVCZFXZCIYFS-BVMLUPFRSA-N	663.896	5.616	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)ccc1OCc1ccccc1	409316411	XOCREFPVTCFHHX-HQDYHJHZSA-N	623.931	7.432	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OCC	409319487	HARHTMIARQHXCL-MWLSYYOVSA-N	586.439	5.896	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OCc1ccc(Cl)cc1Cl	409365391	QQJGRSLJSSVZBY-OPEKNORGSA-N	611.354	6.222	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409366194	SWGOROAJUPOLLG-JFLMPSFJSA-N	548.808	5.615	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(I)cc1	409371156	BVSJFQAAAWTMOX-WQRHYEAKSA-N	578.219	7.235	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)c(Cl)c2)c1C	409373672	SKYPLPBPJNATAO-CCVNUDIWSA-N	510.819	6.436	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)c(-c3ccccc3)c2c1	409394867	GWJLIFLJUCSQPP-UHFFFAOYSA-N	503.558	6.135	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)cc1OCC	409395130	KEAGTLWWDXJJPW-UHFFFAOYSA-N	807.845	9.813	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397426	JTZNCKYDQIUKAO-UHFFFAOYSA-N	552.030	7.179	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccco3)o2)cc1	409407510	GLRVXTFTNRXJBV-LJUMEUDFSA-N	568.542	5.750	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	1529548082	XFKGZNPIVIOZEF-AJXABOPQSA-N	716.998	5.475	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccccc1C#N	1529548787	NVEABCSFOMWHFE-TXWDNMQDSA-N	741.462	5.547	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)NNC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2-c2ccccc2)cc1	2074557	YYPSKUJQNSNNIK-UHFFFAOYSA-N	579.711	5.505	50	40	KKGB	
C=CCN1C(=O)/C(=N/NC(=O)/C(=C/c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)c2ccccc21	2096434	JSBFQWKEBCONHZ-BRYNZMOWSA-N	556.066	5.010	50	40	KKGB	
CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2	2335385	ROAUEWNDMFGWMR-RVDMUPIBSA-N	529.445	7.305	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	2805787	NBVQOMFUNCWDRZ-DEDYPNTBSA-N	518.842	7.268	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1c(Cl)cccc1Cl	6166466	NJKMJYLMUKMFER-SKAOAKOGSA-N	599.540	6.189	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Br)cc1	8456078	BJEHRSKOMNIVNU-LJAQVGFWSA-N	663.956	7.539	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OCc1ccccc1Cl	12585753	MMVYVLBXCDRYSB-XDHOZWIPSA-N	507.930	5.780	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/C=C\c1ccccc1[N+](=O)[O-]	19849986	RXRCDSISIPEEDJ-ORSJXSHASA-N	518.986	5.403	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(C)(=O)=O	20212944	BXQPIKZYGFRQLA-OPEKNORGSA-N	514.818	5.132	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccccc1Cl	28216926	CVVMBOZAGYVBNT-OKCVXOCRSA-N	508.474	7.457	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	28216963	ATWGHFIPVPYNJN-WCMJOSRZSA-N	522.501	7.598	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1	33475864	NTHPFTJAMVFVJD-PDGQHHTCSA-N	508.328	5.448	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCc1cccnc1	97946424	VLKCPDDGLIFTFL-YZSQISJMSA-N	546.030	6.390	50	40	KKGB	
CCOc1cc([C@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(I)c1O	97959976	CRWMSCLITBKRTI-CEQIKUNHSA-N	542.421	5.261	50	40	KKGB	
COc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccc(N/C=C4/C(=O)N(c5ccc(OC)c(OC)c5)C(=O)c5ccccc54)cc3)c3ccccc3C2=O)cc1OC	97980468	CIXAYWXELMWFLY-IENBMRAWSA-N	765.779	5.824	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(c3nnc(SCc4ccc(Cl)cc4)s3)C3=C2C(=O)CCC3)cc1	98006240	LDVREVWRQZTQNP-QHCPKHFHSA-N	550.109	6.187	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	98048894	QIRPXDUYXOJZAS-VWLOTQADSA-N	566.605	6.622	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1cccc2ccccc12	100062820	MWBDBTNIZKGBSD-UHBFCERESA-N	582.292	6.645	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100127216	GBNMBLPIVVAFSS-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	100229832	WXTBHZADHSJOJD-CJOMBOTMSA-N	520.265	6.067	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	100580558	OWFHZYWKSAYSIO-LICLKQGHSA-N	546.299	6.501	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	100859709	SSYXXLACANBSSR-FDAWAROLSA-N	541.036	6.017	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OC	100879074	FGTJNAFWRXPSKC-FYJGNVAPSA-N	543.611	7.266	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@H]3C)NC3=C2C(=O)CC(C)(C)C3)cc1	101081375	ISDNDQHJZWKZGI-DNOBIOAJSA-N	513.663	5.471	50	40	KKGB	
N#CC1=C(SCc2ccccc2)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	101178748	JDQCXFCAPNRVGF-PQNGQFLHSA-N	535.012	6.507	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl	101273313	MUYJCEGRGZULIP-LJAQVGFWSA-N	556.087	6.863	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C(C)=O)cc2)=C(C#N)[C@H]1c1ccco1	101305415	CSYSLYUCPOZSGX-VWLOTQADSA-N	527.602	5.250	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	101556251	CTPFRYITKHHXKG-NDEPHWFRSA-N	544.076	5.829	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(I)c1	101697828	LVPZEZLJWLMCSN-MIXAMLLLSA-N	549.412	5.085	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1	102077254	ULIDCJJXUGCFDY-AEPTXUNZSA-N	562.400	7.077	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1	103039601	MLICBRZTMQIMTD-UHFFFAOYSA-N	612.712	5.358	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)cc3[N+](=O)[O-])sc2c1	103745957	NBFGYJZGDMTXDU-ZMOBYHMNSA-N	591.498	6.979	50	40	KKGB	
C[C@@H](C/N=C\c1ccc(N(CCCl)CCCl)cc1)/N=C/c1ccc(N(CCCl)CCCl)cc1	104077939	MJQAOIFNPCAOCI-SNJBJIPPSA-N	530.371	6.181	50	40	KKGB	
C[C@H](CCC(=O)N/N=C\c1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118916522	NSYXTAJIOOWVSE-SHQPTLQHSA-N	533.757	6.025	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	150433879	XJIAXVOCRLQQLV-DPNNOFEESA-N	645.634	6.867	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	162475777	OBHXNLWMYWIULH-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795430	NAMXYIYFDXSAPT-HZPDHXFCSA-N	814.262	11.721	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)ccc1OCc1ccccc1	408539725	JNQJAVDACDNZQR-DLCNMLRHSA-N	672.801	8.186	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OC)c1OCc1ccc(Br)cc1	408541816	HVEHEXGNLZWARA-UCQKPKSFSA-N	504.380	6.528	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552167	OVLVYUGLPDCMQQ-HCNMGLPWSA-N	695.366	6.820	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(Cl)cc1	408552675	UPNZNDPWBOHNLE-CFRMEGHHSA-N	518.838	8.298	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1	408552981	MIUATINLUIFGBI-LICLKQGHSA-N	559.247	6.628	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1	408567566	FQTGPJWENBEUTL-IPPBACCNSA-N	573.092	5.634	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1cccc(F)c1	408580836	RYPKOLKTKXKELI-FRKPEAEDSA-N	507.186	7.547	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	408581759	ZFLGBKKYUOVWPJ-MHWRWJLKSA-N	583.685	6.705	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)cc1Cl	408601867	CAKOVZACYDUFAL-INIZCTEOSA-N	518.372	5.216	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1c(Cl)cccc1Cl	408610800	UMXJZKDLOUBYFS-LJQANCHMSA-N	542.463	6.084	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408650136	ZNQOHPHWAJRAOD-QHWILLEASA-N	645.175	5.852	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	408676632	LPFUBHGKJBVPKL-FMFFXOCNSA-N	510.613	6.176	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccc(-c3ccc4nc(-c5ccccc5)cc(C(=O)Oc5ccc([N+](=O)[O-])cc5)c4c3)cc12	408720337	LIFDHLALOJMAJT-UHFFFAOYSA-N	738.712	10.039	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1	408742582	BBCVKNXYWGVHSI-ZDLGFXPLSA-N	665.225	6.237	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)c1	408743598	HBLRJKDAOSVLNV-ZDLGFXPLSA-N	638.218	6.468	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408746577	FJGKXMRVWIXUPW-ZMGVVAQMSA-N	638.312	5.906	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCc1ccc(Cl)cc1	408747507	OXUICMJVKIUAPB-MZJWZYIUSA-N	564.807	5.695	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408767356	ZWCAHEOQINKHMF-IBBHUPRXSA-N	567.480	6.486	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccccc1C#N	408774373	ZUZOIXBEENXVJX-USHMODERSA-N	518.617	5.130	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)cc1	408781363	CMFADGDQXYEAGO-ULJHMMPZSA-N	563.439	5.434	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	408783640	OASNULSCVBYFIR-JMIUGGIZSA-N	528.244	6.375	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793792	GGWDURNVJZRPBE-RDRPBHBLSA-N	545.038	8.197	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1	408796850	QHLVHMCEXLZGSJ-XDHOZWIPSA-N	573.228	6.487	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1Cl	408814005	GOYXHPFSFHPTKI-FJEPWZHXSA-N	539.419	6.678	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408835599	OKHYJIRZEPXFJK-OEAKJJBVSA-N	593.894	8.359	50	40	KKGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840483	BOSYEVXGVDUINK-RPPGKUMJSA-N	574.831	6.281	50	40	KKGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408842424	JZUKRNSAKIUJLX-OPEKNORGSA-N	568.911	5.296	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408844020	UTRZIKASPNEZEB-YLYVUXRMSA-N	745.401	7.708	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc(Br)ccc2o1	408844331	CHCOZFVZKAEYIL-DANHRZQXSA-N	675.986	8.370	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408851958	OGXDEXXHRCKVPP-RGXNXFOYSA-N	558.476	6.943	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1	408858261	RCWSXOSYALYNPL-DICXZTSXSA-N	540.357	5.779	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408868545	PFECSQOXPVCFBO-VEDIRDOVSA-N	526.829	5.210	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408870125	VGDHYJRYINZNQD-OXUBWTJQSA-N	572.257	6.765	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl	408870381	UYJASLLJUFCQJC-MZJWZYIUSA-N	502.354	5.572	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	408875934	HXNVEZARPLABNF-IPPBACCNSA-N	577.877	5.549	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2OC)cc1	408881418	MYSLPGWWGPISRT-CXUHLZMHSA-N	531.779	6.429	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccc(F)cc1	408922509	FBHQASLGUADFSX-RQZCQDPDSA-N	574.790	6.673	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(Br)c1	408942644	GKMQFOAERILADU-LJAQVGFWSA-N	788.515	5.852	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1OCc1cccc2ccccc12	408945380	KOKCAQCRVGIHEZ-YTTGMZPUSA-N	608.720	5.304	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c(OC)c1	408948155	CERRZFGUNBYRBZ-PGELQFCNSA-N	767.404	5.906	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408954304	YYNJQVIXRGVMKT-NDEPHWFRSA-N	706.446	6.220	50	40	KKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)o1	408960365	FFXWLPDOHIVITC-KIBLKLHPSA-N	593.171	5.830	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c(F)c1	408967557	QWBFQNWWSFGVCG-VYVUJPJFSA-N	511.167	6.654	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1	409000193	XNAQJEQJPYDXMI-ZCTHSVRISA-N	507.546	5.239	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1	409006492	OFHHVQJKPNCWGW-XRWMSZIASA-N	546.579	5.697	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409012578	KMXZVSZBDZFNTD-ZSNJKBEMSA-N	586.132	6.988	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409016517	UVIYEDMRBINKJE-JRZNSJKLSA-N	601.747	7.488	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCc1cccc(C)c1	409017087	FBYWVZBQCLBKLQ-APTWKGOFSA-N	509.606	5.779	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409018125	ROOGHQNPXJCVPX-FTCYSYDXSA-N	552.241	7.788	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	409029147	YACDWSZUFPZDEO-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1F	409045076	YEAXFQSJJMHUGC-VCHYOVAHSA-N	544.218	6.784	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)c1nc2ccccc2o1	409048245	RZQLJFDBLUYYAD-CXUHLZMHSA-N	544.630	7.649	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)c(C)c1	409049682	XSRAMQPPZHGBHQ-QGMBQPNBSA-N	609.145	8.260	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	409053586	NITCORBBQDKNSI-XKJRVUDJSA-N	617.698	7.301	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409058118	RKEJZBJOIJXEHX-LZYBPNLTSA-N	625.195	7.263	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccc(C(=O)O)cc1	409103373	YEQUYCHYESCTDW-RUZDIDTESA-N	565.376	5.072	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C2=C1CCCC2=O	409124399	HGGCEGPXPAZBTJ-OAQYLSRUSA-N	588.256	5.429	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccccc2Cl)cc1	409185835	RADVCPCRDJYHIN-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)c(I)c1	409199891	FKKBEEBQQDINLF-RPPGKUMJSA-N	571.267	6.419	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2ccc(Cl)cc2)cc1	409217649	DYLHHPISFKKEDV-BOVRDJAGSA-N	534.956	5.225	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409222154	BVFNKMMCYSDLIO-VINWBJBXSA-N	592.608	5.937	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)c(C)c1	409261350	ANJKXHKHUFQWGA-NVJOKUIPSA-N	549.252	6.154	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409310552	VTOVGMMPLSAWLJ-MUXKCCDJSA-N	547.833	5.861	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)ccc1OC	409311983	IXJJHUJKDDUYHI-QDTIIGTASA-N	580.248	6.101	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1OCC	409319045	ZLRTVKAENSAYCK-LPEPFOFCSA-N	598.361	7.440	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)ccc1OC	409324738	VGJQPEAWDSUJRH-CAQPMQTCSA-N	577.475	6.751	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409362611	JOPYQZNOAYRZGI-QDTIIGTASA-N	733.138	5.701	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409365428	QRQQDLUNHIQOJR-VULFUBBASA-N	534.781	5.225	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409365529	XZHOJJPUWMRETM-IPBVOBEMSA-N	675.013	6.878	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1OC	409366451	VDBCWOPMCXSVRZ-QDTIIGTASA-N	596.703	6.154	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccccc1C#N	409372441	XRJDKJRWBPKBCM-JAIQZWGSSA-N	524.333	6.344	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409374113	YISDHQNUFCMDAW-ATZGPIRCSA-N	549.454	7.235	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	409375250	HVHVNKDKWKLUPH-SFQUDFHCSA-N	540.801	5.674	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	409380097	HNYWKTLIHOLRAJ-QGMBQPNBSA-N	596.252	6.636	50	40	KKGB	
Cc1ccc(NC(=O)Cn2cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c3ccccc32)cc1	409384376	BWFGYIPISWNIAZ-CCVNUDIWSA-N	511.563	5.475	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409393741	ZULCABAVWJIRGE-XAZZYMPDSA-N	601.726	7.159	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)cc1OCC	409395176	KQQJMULBXCHVEV-UHFFFAOYSA-N	730.413	8.012	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)cc1	409395586	PLAFBZHPHPXFEV-UHFFFAOYSA-N	790.690	8.776	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)[nH]c12	409395603	PQLLZPIESWQTHV-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396201	GGWXTUYJGMITNJ-UHFFFAOYSA-N	566.057	7.433	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1OC	409401704	IBSWKKJDTNRCAL-QFIPXVFZSA-N	559.619	5.369	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(I)c3)o2)cc1	409402384	JZCMESMCLBKXLM-RODHXAHZSA-N	714.387	8.520	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1	1529548028	WDIMEVHFGMGNRR-XINRNAFCSA-N	807.461	5.216	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1cccc2ccccc12	1529548692	LTOHBUMAKBGHEG-DSOJPOTOSA-N	678.811	6.041	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1cccc(Cl)c1	1529549404	YASQJNAVNVIJDL-AYSITGFNSA-N	844.897	6.013	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccc(Cl)cc1Cl	661016	NOQIRIAEPMZSIE-LJQANCHMSA-N	536.213	5.593	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccccc3Cl)nc12	1278535	VCWBFPPACIIBNC-QGOAFFKASA-N	556.825	5.550	50	40	KKGB	
O=C(NNC(=O)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)n1)Nc1ccc(Cl)cc1	1415757	CUXAPBAHDLPWLH-UHFFFAOYSA-N	556.957	6.288	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccoc1	1438274	GDWCFLSSYXNICV-VWLOTQADSA-N	579.476	5.757	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1	1828844	IAGNVJOKVIWUOJ-JFLMPSFJSA-N	537.001	5.137	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OCc1c(Cl)cccc1Cl	1904600	IHRAGUWYDKANFZ-AMVVHIIESA-N	515.437	6.542	50	40	KKGB	
CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1Cl	2310662	OSIXUYLSAPKILW-NHCUHLMSSA-N	518.422	5.642	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	3085210	DEMDGZBXLHPNPX-ZCTHSVRISA-N	559.416	5.063	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@H]2c1ccc(Br)s1	3117988	KHVHWVWYRALQAQ-IBGZPJMESA-N	522.390	6.470	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(Br)c1OCc1ccccc1	6166407	JHMNSFDVIJHOGU-IWOXMVTDSA-N	609.546	5.644	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1	8406160	RSYMQNGOPUATOP-QFIPXVFZSA-N	500.605	5.099	50	40	KKGB	
CCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1	8425164	OJPWKHHDOHXTPS-MYGLTJDJSA-N	571.350	6.411	50	40	KKGB	
CC(C)(C)OC(=O)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1	8448655	YFWOQBJKRYYPKI-FUAYJARZSA-N	510.421	6.389	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccc4ccccc34)n2-c2ccccc2)cc1	9019257	BDTULEQCBYKJEI-TWKHWXDSSA-N	507.619	5.729	50	40	KKGB	
COC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1cccc(OC)c1OCc1cccc(C(F)(F)F)c1	20274631	QYASARMYWDXECV-ATVHPVEESA-N	516.497	5.687	50	40	KKGB	
CC(C)(C)OC(=O)NCCC(=O)N/N=c1\cc(-c2ccccc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3	30822739	COURVSKIQKRHJP-CDSHQWRTSA-N	531.653	5.974	50	40	KKGB	
OC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F	95681729	MFHOUSVHHLOPGM-GSVOUGTGSA-N	654.045	6.817	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21	97958934	BDUNDBJKPNJWNK-VBMGMRCRSA-N	548.440	6.365	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)N1	98000088	MGTBUBWROCABFW-YTTGMZPUSA-N	572.690	7.185	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(CC)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	101087073	KZLVVTOHMYILMN-OYQOIYBLSA-N	519.736	7.738	50	40	KKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1	103012057	DAZOHSZAWMRITA-QOCHGBHMSA-N	508.684	7.089	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4cccc(N(C)C)c4)c3C)sc3c2CCCC3)cc1	103873767	NREXYPWJSCJWJN-HNSNBQBZSA-N	553.732	6.425	50	40	KKGB	
N#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br	103889419	MTGXVSHLGFYJGH-WDZFZDKYSA-N	530.003	5.966	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	103890491	QAZORCMPDVUZBJ-MFOYZWKCSA-N	591.245	7.187	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	103895235	UQIXFTABAYANGY-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1	103899470	ZRPRSAKHIXUEET-FJEPWZHXSA-N	576.889	6.561	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4Cl)cc3[C@@H]3C=CC[C@@H]32)cc1	104699000	NBYGNTXLFFXZFL-MESDMONWSA-N	560.119	6.727	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCCCCCCCC	150382809	HVQZYCXYFLFKKQ-HKMUVTPWSA-N	905.123	15.948	50	40	KKGB	
CC[C@H](c1ccc(OC(C)=O)c(C[C@@H](Br)CBr)c1)[C@@H](CC)c1ccc(OC(C)=O)c(C[C@H](Br)CBr)c1	150481141	NCWYJFDRKYAOIS-POYMRFPPSA-N	754.192	8.626	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	150490432	RIPLJBHXBZAPKV-KVAAJVFYSA-N	643.644	5.684	50	40	KKGB	
COc1cc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c2)C=3C#N)ccc1OCc1ccc(Cl)c(Cl)c1	150576716	FEPWBUIYLDFTKP-WFGQKDPWSA-N	792.528	7.650	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795502	OJLRPZXRBJZULH-SZPZYZBQSA-N	998.438	15.332	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	209404332	DKHUKGKZHJZFQL-VXLYETTFSA-N	517.648	7.817	50	40	KKGB	
O=[N+]([O-])c1ccc(C=NNP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	301054442	NELMAANUXCOBPV-UHFFFAOYSA-N	506.340	5.273	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	408538847	CLJTVYOANBMSFC-DXJNIWACSA-N	525.561	5.915	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(OC)c2)cc1	408540484	SJSYJGSPRDQPMV-GKVNEZTPSA-N	601.143	8.012	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1OCc1cccc2ccccc12	408542644	MTICBCYOAZRNSB-PKAZHMFMSA-N	532.596	6.790	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc3ccccc23)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550729	GZNJLVXIYCIKGE-CNCDYAKUSA-N	570.860	6.980	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408566474	GSPYCOMSDGOVCM-DPNNOFEESA-N	608.374	7.934	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Br)cc1	408589246	ZLTLVJCPHCTAMP-NVMNQCDNSA-N	629.119	8.402	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccc(Br)cc1	408646314	ATYVECQSBQBFQL-LXNDPQCUSA-N	655.376	5.364	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408677650	UBIXONFXDYHYHX-FMFFXOCNSA-N	571.519	6.800	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OC	408743937	ILOLQFODJZIAME-NTEUORMPSA-N	539.167	5.173	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2-c2ccccc2)cc1	408744135	WWPYBOSELZVFOH-FADJLKOXSA-N	550.058	7.393	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)ccc1I	408745789	AFZBZFFEUDSXDJ-AUEPDCJTSA-N	515.134	5.631	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc2c(c1)OCO2	408745859	VZAIDZGNSHLPIH-GRSHGNNSSA-N	521.367	5.620	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1cccc2ccccc12	408752058	FSLYNIRALCQCCI-UQQQWYQISA-N	523.430	7.455	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccccc1F	408754807	SAUOZNCWRAXGFX-MFOYZWKCSA-N	560.217	6.484	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408756917	VFQVANZONIZZQT-MFOYZWKCSA-N	625.144	8.042	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1Br	408759255	APPSCKPEQUAFNZ-IZZDOVSWSA-N	514.999	5.528	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408760016	PZGUSXOSDMSWES-GRSHGNNSSA-N	647.263	6.275	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2ccc(Cl)cc2)cc1	408785526	ZZBDMNPYQUFOPM-ZCTHSVRISA-N	562.047	5.213	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1	408786128	MRXOFZIBEGYIHU-CHHVJCJISA-N	651.080	5.669	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccccc1Cl	408789684	QZNXXITYXMWTMV-LZYBPNLTSA-N	658.636	6.813	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1Cl	408793253	DORWYVHELHTQNV-LZYBPNLTSA-N	522.215	7.433	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1cccc(Cl)c1	408801417	SXMRMWHKCLFKKB-CIAFOILYSA-N	586.857	7.030	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)cc1	408804927	HIXBCRLXOUFWAG-DEDYPNTBSA-N	505.914	5.550	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408821096	CIGIXOJGNQXXAZ-UFFVCSGVSA-N	662.784	9.666	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1	408827076	UOLJTEXBHDXLEZ-LALXJTNGSA-N	782.728	6.277	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1	408831137	PWHORVDHHXPMKE-MFKUBSTISA-N	573.476	8.014	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408834372	YFGHOMHFCWWEOJ-FOHWUNMGSA-N	566.235	5.634	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccccc1	408837004	XSSVKCQBTOFIII-BUVRLJJBSA-N	603.900	7.815	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408839477	SXTFIANJEHVJBK-XJECJHNESA-N	681.395	8.135	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2)cc1	408842432	OVTUOYSAKSNHLA-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4ccccc4c3Cl)cc2)cc(OC)c1OC	408846801	RIMJBHSCZDBLSW-MWBNBJEGSA-N	644.105	6.816	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408859504	UUBSTPVLRUAOKM-HWIUFGAZSA-N	530.584	6.704	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408863898	VIDYSEIOAZLHCW-DPNNOFEESA-N	612.535	6.235	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1Cc1cc(C)cc(C)c1	408866770	GMYXMLZGEYZKDG-KEBDBYFISA-N	543.383	7.230	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408871546	YUPFFMOJPAHWDY-IRWBXMRWSA-N	671.956	7.727	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(C)cc1	408872851	KABJOMPOSXPCIA-HNSNBQBZSA-N	636.568	6.075	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	408873565	SBDDFOYMXAUMBZ-UFWORHAWSA-N	606.300	6.584	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408886382	KKCYBKORRWHXJA-WSDLNYQXSA-N	552.412	6.350	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OCC)c1	408910566	XEUVMIQYHKZJEH-INOZVXBCSA-N	647.364	5.997	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1	408949721	RLBADZBFJOTDNC-LJAQVGFWSA-N	671.603	5.856	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c(OC)c1	408950380	HBSCFQSFGODZGC-NOLAYUPHSA-N	712.785	5.882	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	408957306	UCAJERBESHSXAI-ZMFRSBBQSA-N	595.231	5.414	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408973322	YIKKWFQXAYNCCP-CTASPCEKSA-N	703.450	7.923	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br	408980729	STCCNJJAIQLFNS-WSHOCQNKSA-N	581.470	5.911	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccc(C)cc1	409012695	LDZWKJIEQUJSJS-IPPBACCNSA-N	633.280	6.850	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NCc1ccccc1	409027859	HXVLVBJLMXWUEU-ALQBTCKLSA-N	625.534	5.034	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	409037319	MXSYHBUDRQMUGS-XJYONFIHSA-N	581.459	5.542	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Br)c1	409046707	LODHOJGJWRFVEB-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409063415	BJTPXAKLYFETBN-GZTJUZNOSA-N	561.841	5.733	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409064797	FOFUHQSHFFMHDJ-CJLVFECKSA-N	518.591	5.141	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409128454	FKLKOBULWNUXFR-DEOSSOPVSA-N	684.256	7.480	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Br)cc1	409132696	KNVLXJKXWFNAKE-JOCHJYFZSA-N	574.269	6.004	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)cc2c1	409184385	KXVMSTLZLKLDFA-MUXKCCDJSA-N	568.380	5.854	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1OCc1ccc(C(=O)O)cc1	409185160	SQKLVRSZJJQHFH-UYRXBGFRSA-N	507.340	5.281	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc5ccccc45)c(I)c3)cc2c1	409186693	GOLFTJLIOHHSPU-LJUMEUDFSA-N	590.417	6.932	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1ccc(Cl)cc1	409190502	OTZQDJILAZAYGF-KBKYJPHKSA-N	540.614	6.347	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1	409218085	HCTKVIUOLBILMB-MWLSYYOVSA-N	517.925	5.177	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409225859	RLFWIGCKXVGUDT-WVXIXHKESA-N	760.664	8.263	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1	409227227	YFQOWLFUHYNAMK-UHFFFAOYSA-N	562.409	6.237	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl)c1ccc(NC(=O)c2ccccc2)cc1	409227670	ZOFIENMPQVWSNW-LQNQUEJISA-N	542.935	5.484	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2I)c1	409231120	HPRTWALGNPOQSG-WQFTWXBESA-N	648.282	6.568	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccccc1Cl	409238665	FFKIWQASXIAMIX-FPJJECCMSA-N	586.857	6.707	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccc(Br)cc1	409245922	AYEQXLIVWWQBJB-WKIKZPBSSA-N	550.222	5.631	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409252807	DXVBPNCITHAIPF-VXLYETTFSA-N	557.956	6.547	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OCc1ccccc1Cl	409262944	KTMQZJOIXVQLQU-VFLNYLIXSA-N	642.719	6.247	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OCC	409311059	YADUCTQBRXAOCN-LQNQUEJISA-N	629.451	5.045	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	409365680	VSXIJJHDWKYEJO-WBIBEUCMSA-N	623.710	7.181	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)ccc1O	409368333	YPMIGQQXGQKGFK-QDTIIGTASA-N	615.333	5.201	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409374121	YNDPGXIJNTUKAG-FJEPWZHXSA-N	509.440	6.332	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(I)cc1	409374630	VKUROXCIGOKOQY-ODLFYWEKSA-N	661.281	7.122	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(I)cc4)c(I)c3)[nH]c2c1	409392517	PYTSLCSMGXGMEG-PXNMLYILSA-N	759.123	7.028	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)c1	409396619	ZKKDNFGBUSPTSV-UHFFFAOYSA-N	600.900	7.851	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(Cl)cc1	409399930	AIKSURPNEHGBJY-KOKCXWAISA-N	632.544	8.315	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3O[C@@H](C)C(=O)O)o2)cc1	409404332	PVXBVEWRNXBBMY-UEGXWDRTSA-N	535.984	5.535	50	40	KKGB	
O=P(O)(O)CCCCCCCCCCCCSSCCCCCCCCCCCCP(=O)(O)O	627274951	XJGYOWXGUBDOGH-UHFFFAOYSA-N	562.756	8.525	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	1529548012	VJBWJXFFZNWBGB-UUTVKSQHSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1	1529549418	YMDVXFTZGTXGJH-KZMIEDSXSA-N	726.606	5.220	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	935063	ZJOLYYLRFOXWMF-YDYXIROLSA-N	518.436	5.823	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)N(c3ccccc3)C2=O)cc1	2325388	DJWXGUHGZXMMDP-RKZIHRPTSA-N	508.430	6.367	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	2374628	BOEVNNMVPUBBAR-LRXXLLMYSA-N	521.708	7.184	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1	3036998	KGBGIDUFQAZHPV-KCSSXMTESA-N	565.508	6.911	50	40	KKGB	
N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1	3663278	CBKRBVBWMGHETI-HXUWFJFHSA-N	522.752	6.426	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	8456074	CZBOXXQNDGBSDT-WTYVLRPYSA-N	541.007	6.345	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1	8721612	RPHKLUBHJGEEBQ-XHLNEMQHSA-N	512.075	5.704	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c1C	13174383	AJFKLMYAGFHYQW-RUZDIDTESA-N	506.071	6.394	50	40	KKGB	
N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	14152199	HPFZDGNDDYCQAC-XQNSMLJCSA-N	512.638	7.200	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1	16739767	OOOZITRURIPGGG-IQQNDYETSA-N	512.418	5.638	50	40	KKGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	59856258	UIMWBXFRGPHENH-RUMWWMSVSA-N	535.625	5.705	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)N1CCOCC1	97946478	ZBTAWOPXEXQLEN-XQNSMLJCSA-N	559.453	6.191	50	40	KKGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1c(Br)cc(Br)c(O)c1Br	97965305	OFMYYTHPBQRUME-IGCPIRJNSA-N	575.866	5.516	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1cccc(Br)c1	100117384	QMFHITQBIYOOFC-IPBVOBEMSA-N	541.755	5.618	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)Nc1ccccc1Cl	100199178	SHVBJQHJPVLWNB-FDAWAROLSA-N	542.979	5.239	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100240014	QDIVMGHQBZALPY-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1)c1cccc(Cl)c1Cl	100379222	HBZIQMOQXWSVLZ-LGJNPRDNSA-N	555.281	5.486	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\C(Cl)=C\c1ccccc1	100853818	FZQREWNAWBVLGA-RHSWHVRTSA-N	542.879	6.715	50	40	KKGB	
O=C/C(=C/Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1nc2cc(Cl)ccc2o1	100929702	AKUONWPJZJAOJX-OWBHPGMISA-N	532.803	5.696	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	101273227	BYGIDFRWQWGMKD-XMMPIXPASA-N	528.461	6.099	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl	101305151	IQMCMXYTYIROPL-SANMLTNESA-N	544.076	5.786	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(OCC)cc2)=C(C#N)[C@@H]1c1ccco1	101305327	JZOCVACTBWNDFR-RUZDIDTESA-N	529.618	5.447	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	102807351	UJDCSQNKRMDSNE-SANMLTNESA-N	534.037	6.053	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889496	ZGYLAWTZILVICO-UUASQNMZSA-N	580.649	7.263	50	40	KKGB	
COc1cc(C(=O)C/C(CCCC(=O)Nc2ccccc2[N+](=O)[O-])=N\NC(=O)c2cc3ccccc3cc2O)ccc1O	104282443	DXKQDINBZYIUQK-NVMPUMLXSA-N	584.585	5.336	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Br)cc1	112265012	BKBHZSVFHDAUOY-KKMKTNMSSA-N	576.241	5.221	50	40	KKGB	
CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341425	KUIUUXDICKSUQR-JTQLQIEISA-N	736.235	10.575	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795326	SVRSPLNTOMLROL-IUCAKERBSA-N	716.073	8.990	50	40	KKGB	
CC(C)(C)[Si](C)(C)O[C@H]1CC(=CCP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1	196829432	LOVRVVSIBIVFTN-HNRBIFIRSA-N	570.903	8.892	50	40	KKGB	in-vitro
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(Br)cc1	408526492	CFJZBPQGIUURSH-MFOYZWKCSA-N	626.968	8.380	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	408539571	XQKQRDKURXVGHO-LDADJPATSA-N	602.289	8.515	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(OC)c2)cc1	408540239	OYFXUICIUCNAMY-GMEAVFFOSA-N	566.698	7.358	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408550100	BLHOGKSUXGDMFZ-NVNXTCNLSA-N	565.240	6.872	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)c1nc2ccccc2s1	408552168	HTFOJTUREFYENA-OQLLNIDSSA-N	559.272	7.447	50	40	KKGB	
Cc1c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc2n1Cc1ccc(Cl)cc1	408568580	KNEDDTBXJIJPKI-OKCVXOCRSA-N	536.122	6.659	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408641691	LBMXAEBAWWOTCI-ZDNVTZCJSA-N	708.812	5.783	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	408658469	VBCLFRFQAHDSFW-BFNJWEDLSA-N	627.499	6.609	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1	408659002	VKAIMWMFJDYZKO-PWNYLBOHSA-N	659.158	5.020	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	408668708	DXTHCZXWOCDIGZ-JOLMYRCBSA-N	574.313	5.346	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408689538	YLEAJRCHGVXWKT-IXFQNSDBSA-N	635.567	5.982	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCc1cccc2ccccc12	408711937	RLGUQJHHOCHSIX-WKULSOCRSA-N	662.265	6.401	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1	408722268	FZUXYDXVUOQWBS-LGJNPRDNSA-N	550.780	5.061	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1	408728811	UOYFNEBYANAAJL-MZJWZYIUSA-N	564.807	5.234	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c(Cl)c1	408742637	XHKIHHNFPARUFY-YSURURNPSA-N	525.628	5.742	50	40	KKGB	
CCOc1cc(C(=S)N2CCCCC2)cc(I)c1OC(=O)/C(C#N)=C/c1ccccc1	408754507	VNJRKUOTNWJVFR-CPNJWEJPSA-N	546.430	5.364	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccc(I)cc1	408782324	HBJVGWZPMQFIOJ-UNOMPAQXSA-N	546.202	6.705	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccccc1	408790847	RJRVEKYRYRQTCF-YZSQISJMSA-N	583.482	7.551	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793114	DCEAAOYIUPETOX-WSDLNYQXSA-N	598.313	9.004	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408793468	PBFXCOWXWLDCTN-VCHYOVAHSA-N	531.823	7.179	50	40	KKGB	
N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793691	FXZSGTIXSSEDJB-XIEYBQDHSA-N	518.016	7.468	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408793887	GMVWIAPSZBVVCT-LZYBPNLTSA-N	564.636	7.129	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1cccc(F)c1	408795037	KWZOKYHMIBQLSW-QGMBQPNBSA-N	529.793	6.683	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(I)c2)cc1	408799408	ZDQIJDCTZSWIEY-DEDYPNTBSA-N	586.813	6.246	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc(F)cc1	408821872	AAAYPPZWGSVKBK-OEAKJJBVSA-N	668.890	7.796	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OCC	408827628	LOXFWGAJWJIPBO-KGENOOAVSA-N	521.400	6.529	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408827992	IGFWNLIQRADXIL-OEPDXVHDSA-N	787.520	6.487	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408830057	QWTSCITZVKHOMT-IURWMYGYSA-N	648.885	5.625	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)cc1Cl	408830416	PLRFEHHZQQKIQU-OMCISZLKSA-N	582.267	7.451	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)cc2)cc1	408831261	OZKXDXZXSMVKPA-PCLIKHOPSA-N	571.446	7.600	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408835333	YLVCGBCOWWYKIE-LGUFXXKBSA-N	623.934	8.959	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408839486	TUBWOHRCBVCJDT-FJEPWZHXSA-N	553.471	7.198	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc(F)c5)cc4)cc3)cs2)cc1	408843485	NEOOIDDCFIBQHQ-DPNNOFEESA-N	536.632	7.344	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408848247	UZUMWLZLQDOJLW-MHDJOFBISA-N	709.953	8.063	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408848286	VPJJRQRCEGUTGG-XODNFHPESA-N	600.336	7.160	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc(Br)ccc2o1	408853889	ZFYQYPCURANPHU-MNDYBZJGSA-N	625.260	7.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)c(Br)cc1OCc1ccc(F)cc1	408856048	HBOINHVSFJTRJF-KGENOOAVSA-N	551.456	7.409	50	40	KKGB	
O=C(N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cc2cc(Br)ccc2o1	408856894	FIDHJJAZQAFKJX-ACXHZZMFSA-N	522.402	7.115	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408858743	PCFJHJCORJMDGZ-HNSNBQBZSA-N	665.566	5.129	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)c1cc2cc(Br)ccc2o1	408859095	WHSAJXLZACMOII-AQLQTECXSA-N	704.156	8.059	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	408866253	GQPQUKDLSYXLPM-SREXZBGJSA-N	556.087	6.457	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2Br)cc1	408874228	ZKVQVHVKRVIONT-HYARGMPZSA-N	519.395	5.771	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1Cc1cc(C)cc(C)c1	408876816	OCLIFDQWNBXUGD-LPYMAVHISA-N	536.413	6.443	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408883973	WGUXLJYNWQRZDD-XZYGTATASA-N	685.040	7.159	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC(=O)c1ccccc1	408884136	XVBKPNCFLYOBGQ-RPPGKUMJSA-N	522.182	5.748	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccccc1C#N	408887960	VKLPJQTYUKAFEL-PTEHHBOZSA-N	614.049	7.101	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	408890434	TVCRKACGYCIHBY-LDADJPATSA-N	596.264	7.683	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)c1cccc(I)c1	408891148	MGPXBCXDABOOPH-BRJLIKDPSA-N	539.156	5.581	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccc(Cl)cc1	408893091	FEYXZMRAZMRAGG-JEPNHJGPSA-N	565.154	7.701	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(Br)cc1	408904725	NQARVYVRTDVIRA-ZMFRSBBQSA-N	524.327	5.455	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2I)c1	408923062	IWWWTVDTMMFSFA-BRJLIKDPSA-N	641.203	5.455	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c(Br)c1	408924208	LZIURHJMSVNAJM-XSFVSMFZSA-N	610.733	8.451	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F	408926299	WYPUFTNYJJKLKV-LGJNPRDNSA-N	516.323	5.238	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCc1ccc(Cl)cc1	408953663	XSJQONWYMIFHSX-NDEPHWFRSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc(C(=O)OCC)cc2)c(OC)c1	408957549	UZKZUAFRZQZWLQ-KUSRIXJQSA-N	896.473	5.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc2ccccc2c1	408964957	JAHBYFYSOMTYSH-WCMJOSRZSA-N	588.414	6.998	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)c1cccc(C(F)(F)F)c1	408965616	WKQOCJWTUUSSTQ-KVSWJAHQSA-N	650.176	6.258	50	40	KKGB	
Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nnc(NC(=O)c2ccccc2)s1	408972570	VIRVPLWKIHVEBY-RCCKNPSSSA-N	527.562	5.529	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Br)cc1	408982902	IUEZTIKTGFIABS-GRSHGNNSSA-N	560.275	7.588	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccccc1C#N	408983601	MSWFTQJWXKYVBC-SRZZPIQSSA-N	597.840	6.648	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccccc1Cl	408991328	QDZDXALROIVNDN-XKZIYDEJSA-N	507.417	7.164	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1C	409009694	BKISMEGBLRTTFO-CCVNUDIWSA-N	500.382	5.482	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	409013535	KQEHIJVHWZZZDE-FWLBXIEJSA-N	600.543	6.338	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	409015118	NWDKPIWRADWFDR-GNIPWVFESA-N	614.570	6.728	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	409028526	OONLNXDQIWEYLO-SNZJCPOJSA-N	570.671	5.426	50	40	KKGB	
COc1ccc(-c2cc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4)c4ccc(C)cc34)c3ccccc3n2)cc1	409039600	RKZCUMIBEOGNFT-IDWIKUEFSA-N	538.651	7.294	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409044368	BPHJBIHPZVTXPM-FYJGNVAPSA-N	538.385	6.080	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409047467	NXSZROUDYSBHEQ-LZYBPNLTSA-N	525.741	7.790	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(OC)cc3)o2)cc1	409113934	JPGYLGJXKYAPBM-FDAWAROLSA-N	596.061	5.131	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	409132542	QFXWZOPLFWCEHW-HXUWFJFHSA-N	567.210	5.992	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3)c(OCC)c2)cc1	409154934	LFTDCJHUDBOVEF-WCMJOSRZSA-N	629.895	5.172	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccccc1C(F)(F)F	409171737	GDXLWWBLMYZEBV-JJKQSNDFSA-N	641.828	5.626	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409187317	OVRWSEXUXBTMQD-ZMGVVAQMSA-N	553.442	7.218	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc(OC)c1OC	409219833	QUZMMAUXRRMWPR-UHFFFAOYSA-N	646.494	6.019	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)NCCCc1ccccc1	409221476	QTZPIDAIXVGDST-BKUYFWCQSA-N	727.178	6.893	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409260894	YEWZKKDKDSTNRY-JAIQZWGSSA-N	538.431	6.572	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)ccc1OCc1ccccc1	409264024	JFHQYRCGCFHQAT-APTWKGOFSA-N	602.485	6.208	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)cc(Br)c4OCC(N)=O)cc3)cs2)cc1	409264806	QOSBYLNRWMUGRI-FTCYSYDXSA-N	643.361	6.015	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccccc1	409265718	OCXJZXPHZZSWCN-ZMFRSBBQSA-N	545.231	5.301	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1OCC	409310360	APYWMMVUIZQQML-UHBFCERESA-N	588.886	6.071	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	409312260	KGQBTPCNVKOTSY-FDVSRXAVSA-N	559.844	6.027	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)ccc1OCc1ccccc1	409327702	WMPMLOGNUYMAMG-ROTLSHHCSA-N	534.204	5.269	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12	409366291	TXBGRWJOGTVFDK-XODNFHPESA-N	542.808	5.510	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(Br)cc1	409371861	ARDVKBZCWSQOCY-MUFRIFMGSA-N	519.395	5.962	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1cccc(C(=O)O)c1	409372397	XDHCIFGAWPJESA-ZDLGFXPLSA-N	529.305	5.780	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1cccc(C(=O)O)c1	409373250	GEFIFVJZIZYZSD-GRSHGNNSSA-N	518.367	5.984	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409373978	XIZJSLVPKLPEMJ-QDTIIGTASA-N	581.250	6.335	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)ccc1OCc1ccccc1	409381180	KORZEZFSPSIBIS-KMUKQRDJSA-N	662.537	6.225	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1	409383957	RDWACXITIHPDLR-UVHMKAGCSA-N	533.806	5.471	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c(O)c1	409393256	WNGQYROKYVJOLJ-RPPGKUMJSA-N	566.779	5.010	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409395014	IVNISBJJJGLDLM-UHFFFAOYSA-N	724.247	8.722	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395724	QYLRVZLCCHIUJI-UHFFFAOYSA-N	704.177	8.789	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cc(C)cc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409396896	CPKLVYJXBKKQKY-UHFFFAOYSA-N	640.136	7.894	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409397718	NDNUTYVDBMFPAC-UHFFFAOYSA-N	679.898	7.093	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398305	SLCVUDZPDCPODE-UHFFFAOYSA-N	639.661	5.870	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)cc2OC)c1	409398918	WLTJEXLYRSSSAI-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)Nc1ccccc1C	409402765	KYAFNZGTEADYDV-CLHYIUPASA-N	636.705	6.373	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)CC)CC[C@]4(C)[C@@H]3CC[C@@]12C	504187310	GBVDXIUBLNGDMK-IEQZQAERSA-N	535.651	9.401	50	40	KKGB	
CC[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	2079855	QYXUEKMUXCAYNU-QYJQOTDOSA-N	545.275	6.131	50	40	KKGB	
Cc1oc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1Br	2172026	QXIHIUCHZQKENC-LUOAPIJWSA-N	578.794	5.368	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1OC	2327832	NNJRUTJCTRODRI-MUFRIFMGSA-N	536.057	5.546	50	40	KKGB	
CCCc1n[nH]c2c1[C@@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2	2340607	FGJRUUJOYPWSIT-FQEVSTJZSA-N	529.822	5.584	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)nnc2-c2cccnc2)cc1	2710164	BHOPQHHHAFQUQK-CCVNUDIWSA-N	527.437	5.277	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1)N2	5494536	XLQGIDCCNPDMRP-JYTHNSPOSA-N	516.044	5.281	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@H](c3ccc(F)cc3)Nc3c(Cl)cc(Cl)cc3[C@@H]2[C@@H]1Cl	8435381	CSMRJTCQLDHWLF-XZCYHHARSA-N	523.844	8.079	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@@H](c3cc(Cl)ccc3N[C@H]2c2ccccc2Br)[C@H]1Cl	8440880	RBCMVAUBLNSVGY-ZHYCKYNOSA-N	550.305	8.049	50	40	KKGB	
CCOc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(SC)cc3)C3=C2C[C@H](c2ccccc2)CC3=O)c([N+](=O)[O-])c1	8456013	DWDJYCSLUMMHKX-LGGPFLRQSA-N	552.656	6.414	50	40	KKGB	
Cc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@@]21C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	8670558	BMPGAVJJJFFABI-ROJLCIKYSA-N	507.634	5.435	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(O)(c1ccccc1)c1ccccc1	8816350	XSZJXOZLSXZOTC-LQKURTRISA-N	509.787	5.749	50	40	KKGB	
C[C@@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccc(Oc5ccc(F)cc5)c([N+](=O)[O-])c4)[nH]c(=O)c23)C1	12564791	JMYRAUDIELEYPQ-DSQDWWTGSA-N	502.527	6.013	50	40	KKGB	
CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1	20573162	CSQNVSHYQLGMOS-BTYSJIOQSA-N	520.633	5.953	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C	39037252	HQCIIKWOMRRRPN-PORRBVBZSA-N	521.624	8.723	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)o2)cc1	58916008	KZOVLTWCZXPJBH-OCSSWDANSA-N	519.022	6.833	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1	59427552	MXVKUDBXHHRMTC-QNKGDIEWSA-N	506.005	7.237	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OCC(=O)c1ccccc1	97968883	MWBQGZZMJDRQCN-NHDPSOOVSA-N	599.462	7.013	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(I)cc1	97997801	ODOAULNZXPMBTB-OKCVXOCRSA-N	574.422	5.317	50	40	KKGB	
CSc1ccc([C@H]2C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CC(C)(C)C3)cc1	98006072	ZYQZTIMLDDBDHI-QHCPKHFHSA-N	613.756	7.512	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C(C#N)[C@@H]2c2ccco2)cc1	98048604	PKIGTNSGEDGNBZ-HHHXNRCGSA-N	547.080	6.510	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(Cl)cc3Cl)=C(C)N2)cc1	98048625	PJBHQQIKVVUMJC-SANMLTNESA-N	611.507	6.470	50	40	KKGB	
O=P(CP(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)c1ccccc1	100014383	NENOPSPISCHXLK-UHFFFAOYSA-N	522.505	6.856	50	40	KKGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1	100072365	GXTHBJXMRHXCMB-BIZUNTBRSA-N	576.074	5.733	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc2c(c1)OCO2	100935644	YLUHXQAWAGUQPC-NSKAYECMSA-N	566.633	5.937	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C)=C(C#N)[C@H]2c2ccco2)cc1	102760561	ALBFNWYZUXZKEK-MHZLTWQESA-N	556.644	5.471	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(Cl)cc1	103882675	CZRJDPSCVZNWPO-OOAXWGSJSA-N	542.079	6.302	50	40	KKGB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NNC(=O)C(c2ccccc2)c2ccccc2)cc1	103921939	XUZWMMCSXCNJQQ-HFTWOUSFSA-N	561.598	5.081	50	40	KKGB	
Cc1sc(Cc2ccccc2)nc1-c1ccc(/N=C\c2ccc(N(CCCl)CCCl)cc2)cc1	104087900	BIHJRCMZBMKAMK-GTWSWNCMSA-N	508.518	7.744	50	40	KKGB	
O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccccc2)sc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	104407094	BCMLEZGMYBRZDI-UHFFFAOYSA-O	576.081	7.335	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1c(Cl)cccc1Cl	104953451	RWHGDFUVGSXSMA-XNTDXEJSSA-N	522.215	7.433	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)c(C(=O)OCC)c1C	109088166	CVDZEPUAYNSLRX-LDADJPATSA-N	535.574	5.395	50	40	KKGB	
CC(C)(CN1CCCCC1)C(/C=C\c1ccc(Cl)c(Cl)c1)=N\NC(=O)N/N=C(\C=C/c1ccc(Cl)c(Cl)c1)C(C)(C)CN1CCCCC1	150443473	AOKCOMHWNQKAIN-VDIKABQBSA-N	734.644	10.062	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\Nc2ncnc(N/N=C\c3ccc(N(CCCl)CCCl)cc3)c2Br)cc1	150483885	IAQQCTDMZAECMS-LYZYYCFWSA-N	675.290	6.699	50	40	KKGB	
FC(F)(F)C[C@H](I)CCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	169795439	AEASXWRKYRDLON-IAGOWNOFSA-N	628.261	9.570	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408551534	DRQRVODZDJTYDD-YBFXNURJSA-N	605.514	6.141	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408554197	QRFOYDISMNOUSV-GIJQJNRQSA-N	631.379	8.091	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408566946	JHBBBHNNWFJFJP-CHHVJCJISA-N	653.087	7.475	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1	408640653	BIIWYNXUHVMBKO-XFGZQFJRSA-N	764.876	5.434	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408680797	GSKIVNKDPRSPTO-NCOADZHNSA-N	589.111	5.473	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408725271	JBWPMGDBIDTYSZ-ZDLGFXPLSA-N	593.248	7.121	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(OCC)c2)cc1	408744465	LICUNWGILGCTKP-QNGOZBTKSA-N	568.411	6.213	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1	408745904	WHXMSBPZODWTMG-ZDLGFXPLSA-N	746.124	6.934	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)ccc1I	408748099	YJDGDURICXJUDB-KKMKTNMSSA-N	568.770	5.444	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(O)(c1ccccc1)c1ccccc1	408750941	UIBRDJJYXPHMGY-MBTHVWNTSA-N	554.784	5.657	50	40	KKGB	
CC1CCN(C(=S)c2cc(Br)c(OC(=O)/C(C#N)=C/c3ccccc3)c(Br)c2)CC1	408754407	UFLCZTNZWFHXNQ-WOJGMQOQSA-N	548.300	6.132	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408768935	MJEDZUBCRXXCTI-WQRHYEAKSA-N	540.345	6.020	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408778264	CQRWQBJMWFWKTB-MFOYZWKCSA-N	593.204	6.421	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408781339	CDPDNPKWKNSHAW-MFOYZWKCSA-N	611.238	7.260	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408788363	CLNHIAUNLDZMPS-QGMBQPNBSA-N	641.720	8.083	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1cccc(C)c1	408789025	HHQZCVPUYHPFLJ-LPYMAVHISA-N	552.412	6.431	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1	408791596	ZGHRECFFMPQTHD-FYJGNVAPSA-N	565.420	6.069	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1cccc(C)c1	408798568	VTNHSBYEXMAPTG-LPYMAVHISA-N	504.970	5.958	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1	408803865	BBKPBNCDBQIQFY-WSDLNYQXSA-N	504.970	5.877	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)cc2)cc1	408823302	NQERMOSVFNUWNY-ZVHZXABRSA-N	622.346	8.768	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408835995	OZSXEESBRLDEED-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(I)cc1	408838201	CTBMYWZRMSHTEF-XJECJHNESA-N	753.460	8.581	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1cccc2ccccc12	408839780	AGWPEPDUUIXGHC-YSYOEVFLSA-N	639.099	8.383	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408839888	DALGBNMQWJLIMJ-JRZNSJKLSA-N	728.665	7.513	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cn(Cc5ccc(Cl)cc5Cl)c5ccccc45)cc3)cs2)cc1	408843667	MRRGDOHLEHTLBC-KULFSUQXSA-N	610.570	8.936	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)cc1	408853792	SDYRMVPPRFOJKD-UQQQWYQISA-N	560.075	5.856	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408853959	UHLWSUNLABQUBX-FZSDHLTPSA-N	658.596	9.110	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	408863278	LOQPCOXBULRYNE-FMFFXOCNSA-N	571.699	5.621	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408872192	AXVJDLAKESNUFU-MWBNBJEGSA-N	717.038	6.361	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C)c(OCC)c2)cc1	408878372	AYRSNRMGDROPAY-OEAKJJBVSA-N	563.448	6.458	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1	408878402	BBXBTIAKYRGOBR-SFQUDFHCSA-N	576.266	5.833	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2ccc(Cl)cc2)cc1	408884724	ZAZGGVYOIYKMHX-XZKBKLFHSA-N	619.143	5.250	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)c1cccc(Br)c1	408889812	JIBUJDMKYUCGNB-RWPZCVJISA-N	552.222	6.348	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1	408926956	WRSVNNVZLGCLAL-QXUDOOCXSA-N	622.143	5.980	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1	408942113	FSQUWYJKHHCPSO-MHZLTWQESA-N	716.452	5.676	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)c(OC)c1	408957650	VIHTVWUZYYBHDH-ZHOFXBFXSA-N	700.192	6.055	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969432	NKKIAKLTKFNFCY-POPVJJPVSA-N	660.336	5.067	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)cc1Cl	408992159	QQYQXQNWOYTLOT-AYBIPQMBSA-N	658.161	7.543	50	40	KKGB	
C[C@@H](C(=O)NN=C1CCCCCCCCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409027395	BYOOCDNYUCREBA-QHCPKHFHSA-N	513.704	6.410	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409050775	ZPIKKHRXVMYDTJ-KCSSXMTESA-N	539.060	7.550	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(OCc2ccc(I)cc2)c1	409062775	APUQGZXINLYHBY-CJLVFECKSA-N	581.454	6.271	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccccc1	409071196	IOBMCRAWMAGSJF-VXLYETTFSA-N	513.185	6.553	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1Cl	409072568	CROFSCDPMTYHRM-RQZCQDPDSA-N	590.655	6.688	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1	409079414	FTIRGIXERCFTDG-GZTJUZNOSA-N	552.927	6.292	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409082133	LVBAUIXYRILQCA-CXUHLZMHSA-N	623.325	6.873	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409083032	UQXJBKJLPXVXSM-RIYZIHGNSA-N	607.282	7.224	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	409137422	XFDBTTLQISYRRS-FDAWAROLSA-N	640.547	5.661	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409174223	MESFLQAMAJBQCQ-VPUKRXIYSA-N	612.239	5.010	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(C(C)C)cc2)cc1	409185091	SAERFDIDDHUUCZ-FMFFXOCNSA-N	556.732	6.180	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)nnc1-c1ccncc1	409191577	ZKZDCPJBMXZINT-LJUMEUDFSA-N	563.599	6.083	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409223944	JKCDBCYVMOAGQS-XELUOBABSA-N	613.424	5.992	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409234563	NTSGIQUIPCTTJK-SXGWCWSVSA-N	547.892	6.070	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)n1	409239187	CIRKNVUIFLJRCE-NSKAYECMSA-N	598.748	6.093	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	409245440	SXMXTNPKITUPDV-ONUIUJJFSA-N	511.578	5.567	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409249133	SJBCKSSIOVGRBC-JCMHNJIXSA-N	580.454	5.660	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1	409249154	JQUBPBAXFKZPDC-IWEBCOIVSA-N	558.245	6.714	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409257718	RYUJLYQOSIZWBW-UUYOSTAYSA-N	609.464	6.097	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409261735	ASOXCOVCUYPXTG-KULFSUQXSA-N	705.034	8.068	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCCC)c(Br)c2)cc1OCC	409313324	OCXOLGBSAILIOO-QFEZKATASA-N	540.252	5.728	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)cc1OC	409317258	TVWBFOLSUSVRRG-KYHGBAKBSA-N	626.345	7.505	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1OC	409318253	XYFFQPUAQGMFDK-UHBFCERESA-N	531.436	6.532	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)c2cccc3ccccc23)cc1I	409323091	NAABPTAURBXVAN-GZTJUZNOSA-N	561.160	6.125	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccccc1F	409372059	RKCJKUGWISEITR-MFOYZWKCSA-N	625.175	6.376	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(I)c1OCc1ccccc1Cl	409383238	VDSAJWFASZROSC-UVHMKAGCSA-N	549.796	5.094	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)c1	409395617	PVUNSUSJYOJGNZ-UHFFFAOYSA-N	586.417	6.728	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396467	RVCXOLFMFJPCTK-UHFFFAOYSA-N	640.092	7.112	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397877	OZCGCTCNDYIIQP-UHFFFAOYSA-N	600.002	6.738	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(I)c3)o2)cc1	409402100	JAQJBXGVIHENBT-FDUMAKPYSA-N	840.283	9.125	50	40	KKGB	
CC[C@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409402289	JQNPGIDCOZTLFL-HHGZQQQNSA-N	673.402	7.741	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc2c(c1)OCO2	409404917	RJFTVXMOWNTKMN-VHFSBPNMSA-N	623.662	6.355	50	40	KKGB	
CCOC(=O)Cn1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409406639	XJINYHYFRSXNBW-KYHGBAKBSA-N	538.604	5.548	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1	1529544716	MIRHJRYGJULEJX-AMLSOKQWSA-N	587.485	5.138	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(OC)c1	1529546747	HGFNMGPHIZGDME-MWKDUONYSA-N	840.478	5.368	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	1445609	XNTSLWBITKQXDK-DEOSSOPVSA-N	508.018	5.615	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(Cl)cc3)cc2)sc2c1CCCC2	1785165	GEWCECUWYZVXND-NZEOBHLKSA-N	554.068	5.627	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(=O)Nc2ccccc2)c1C	2195677	VLISUKPTVFRFTN-HKWRFOASSA-N	528.659	6.894	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)n2)c1	3765681	HOUUDOGPXPHYCF-AMVVHIIESA-N	521.524	5.940	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cc(C)cc(C)c2)cc1OC	4083274	NSPLAABMNLIBOO-KVAAJVFYSA-N	643.593	6.381	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@H](c3ccc(F)cc3)Nc3c(ccc(Cl)c3Cl)[C@@H]2[C@@H]1Cl	4131473	WLRMATSNTPBCTC-GKOPTACNSA-N	523.844	8.079	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(C)cc1	4196424	FKUHMUQRZBKJAB-VXLYETTFSA-N	511.803	6.544	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCC	8812931	WRPIUECPVBKQHB-FSJBWODESA-N	514.214	5.172	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSCc3cccc(Br)c3)o2)cc1	8843130	GOLKICPABVEUCP-DHRITJCHSA-N	501.402	5.269	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)c1nc(CSc2nc3ccccc3s2)cs1	12558541	ZMEGBNIPGHKNAM-LFIBNONCSA-N	506.081	7.257	50	40	KKGB	
COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)c1	13896490	UALXJEDTGKVAEL-MTDXEUNCSA-N	506.031	5.537	50	40	KKGB	
COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)ccc1OCc1c(Cl)cccc1Cl	16282806	KGRSOMYWAXKENA-MRXNPFEDSA-N	521.828	6.460	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(Cl)cc1Cl	20760138	GMZFZKSWBAJDFJ-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
O=C(N[C@H](CSCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	33354481	PFWTUTWSFOSJJR-SPLVEREVSA-N	663.712	6.417	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2cccc(Cl)c2C)cc1	59647375	SJSYUZLFCPUYLD-HNSNBQBZSA-N	556.087	6.609	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c1	97960782	YLBLEDQKJXUOFP-ZDLGFXPLSA-N	654.673	6.982	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	100063406	YKIIELMEQSTYAP-MZJWZYIUSA-N	546.805	5.681	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1OC	100580450	HHNDURAXBSCVDN-WUXMJOGZSA-N	525.153	5.073	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	100925328	AAEPMFMYVZXNMW-RAMZYJDASA-N	536.484	6.087	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1	100989513	OCCIUYDZUSTTNG-JSIHEXFSSA-N	583.851	6.076	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccccc3)Nc3c(Cl)cc(Cl)cc3[C@@H]2[C@H]1Cl	101076819	LGHJZYDFGCMCGW-GXPUJQSHSA-N	505.854	7.940	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(CC)cc2)=C(C#N)[C@H]1c1ccccc1Cl	101305427	BVUXLCZDRDEJPO-HHHXNRCGSA-N	558.103	6.671	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(O)CC(C)(C)CC2=N1	102575465	HNBDUIMYMPHWLM-AREMUKBSSA-N	501.652	6.535	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3OC)=C(C)N2)c1	102809980	QJZZQEYSGFXLQM-MUUNZHRXSA-N	575.090	6.064	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1	102948254	IVQSRVYCJMLDJK-HEHNFIMWSA-N	551.068	5.685	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	103885581	QEACQAOZDJIYFP-ACAGNQJTSA-N	580.047	5.935	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1c(Cl)cccc1Cl	105139781	LEENJDIMZWSBAJ-OQLLNIDSSA-N	532.767	6.688	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccccc1C#N	113832331	SGRDRJQGVDGYHU-VXLYETTFSA-N	532.341	5.691	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	150632756	YEKXQPXUTZPREG-QXUDOOCXSA-N	629.094	6.976	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(C)c1	216040919	PNRGHVAEQNVYSF-WKIKZPBSSA-N	575.257	6.008	50	40	KKGB	
CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CC/C(=N\OC(=O)C[C@H]6SC(=O)NC6=O)C(C)(C)[C@H]5CC[C@]24C)[C@@H]3C1	245229467	YMOJHOVBTLWOMT-GGWCNYMXSA-N	705.756	7.562	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2OC)ccc1OCc1ccccc1	408537654	GQYTWVPLMHSIRW-YUMHPJSZSA-N	583.084	7.759	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(Br)c2)cc1	408539091	SPDRGFZJCYSTDA-WGOQTCKBSA-N	706.431	8.713	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc4ccccc34)cc2Cl)ccc1OCc1ccccc1	408539213	FWBWFMDWLBSCET-WBIBEUCMSA-N	585.487	8.077	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408552557	JSNJTBLUAMCYEE-GZTJUZNOSA-N	589.273	6.718	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408637609	AUMRFSXEXZZKGT-BHDDXSALSA-N	533.839	5.572	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408650204	ZWBPXMRYMHEPGR-WWYBLAPGSA-N	645.175	5.852	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1	408674056	XHCCMQPBZBFMHF-XTEPFMGCSA-N	587.426	6.700	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(I)cc1	408710716	HDMCWISMHWUMNK-LGJNPRDNSA-N	595.231	5.414	50	40	KKGB	
CC(C)(C)C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	408718101	JJLYABAPWJSNKN-LQKURTRISA-N	522.399	5.417	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4Cl)cc3[C@@H]3C=CC[C@@H]32)cc1	408751373	IUEVQYXYLWXOFK-HMIXUQBKSA-N	532.109	6.949	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Br)c1	408760049	QPUVOGDPWAKBAM-ZDLGFXPLSA-N	556.210	6.034	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c1	408766262	SZARMQFBSIKSDN-HYARGMPZSA-N	513.391	6.736	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1	408776290	NDAIFZFLLBLUSD-MOSHPQCFSA-N	586.401	6.352	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c1	408787746	FRNGNCQSEQHYMT-YDZHTSKRSA-N	501.413	7.888	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408787814	GQFXPNVENHSPRE-VXLYETTFSA-N	555.812	6.324	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1	408789421	QDDOUYIPEFBGJI-YBFXNURJSA-N	602.254	6.652	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc2ccccc2c1	408793189	DKKLLRAVIGSTTK-ZMOGYAJESA-N	531.439	7.978	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408797437	RMHJMRGEVLMVDG-YBFXNURJSA-N	507.930	5.780	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1	408801017	REYYYVJWAIKOCC-XDHOZWIPSA-N	525.786	6.014	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1Cl	408815718	UFCXYCZGKNELDD-HKOYGPOVSA-N	503.001	8.080	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(Cl)c3)cc2)cc1	408835073	VZTABRJCKKURDI-WPWMEQJKSA-N	523.032	7.661	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	408837864	PCDAKDJSXBREHP-BIZUNTBRSA-N	562.667	5.286	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3cccc(C)c3)cc2)cc1	408838917	KDSMOPWMVWEHJP-ZCTHSVRISA-N	507.546	5.239	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2I)c1	408839337	QVPOFRKACAOYEG-QNVXDBMFSA-N	757.879	9.226	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1	408866873	HDQZQYBVHMFMFY-SAEPALGJSA-N	659.086	5.400	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1Cc1ccccc1Cl	408867082	JTRUFWSGSLEPSR-FYJGNVAPSA-N	570.858	7.042	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(OC)c1	408869984	UPXNMHXGAHOMIJ-KEBDBYFISA-N	582.407	5.185	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1	408889672	IVDZOQKXBUMPPA-YBFXNURJSA-N	569.355	5.641	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OC(=O)c1ccc(OC)cc1	408890666	XIPAXRUYOAKRQL-CPNJWEJPSA-N	568.367	5.463	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1	408890985	JOOKAMBJJVLDPQ-GZTJUZNOSA-N	565.367	6.090	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c([N+](=O)[O-])c1	408897082	VISABEIEAGIIMO-RQZCQDPDSA-N	587.224	6.253	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OCc1ccccc1Cl	408900120	SUMIULFUMKZECI-UVHMKAGCSA-N	613.677	6.449	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccc(F)cc1	408922858	GXNZHVVSSCNYSL-XODNFHPESA-N	574.497	6.418	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccc(Br)cc2)c(OC)c1	408948587	CXFOWQYBPNMXLA-VVYBVRPNSA-N	856.306	6.124	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408956041	VSVGYDBTTHIODV-JMIUGGIZSA-N	508.380	6.459	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc(I)cc1	408964748	DPSXTACGJGKGEU-VFLNYLIXSA-N	622.232	5.806	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408973012	XEHGGIHEXFWLPL-WMOVZUESSA-N	703.848	7.633	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1	408973534	TYFLBEMTNJLIHK-FDZMCJPRSA-N	615.517	6.089	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1	408985090	VCFJSEOAFPSKKX-MFOYZWKCSA-N	625.663	7.279	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408989464	HUOPWJNYOZHBNY-BOGFGOJOSA-N	668.757	6.936	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c3ccccc32)c1	409014996	QVKVYNOCBDUFBW-VFLNYLIXSA-N	612.265	6.875	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409019260	ZWGMBSHZDRXHMA-PPDIBHTLSA-N	605.772	5.951	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc(Cl)c1Cl	409019827	XQNGSIHRYBAPSF-SJTJDYLOSA-N	519.256	5.749	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cccc(C)c2C)cc1	409025967	CCWKRGPBZJDGFZ-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccccc1C#N	409031802	BIMHKFVBFLJCIR-KMUKQRDJSA-N	591.465	6.887	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409035447	PRRHPUWRQOEYBN-MJXLXAJKSA-N	570.432	7.280	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409070197	NKOXGEDZMFFLSR-OQLLNIDSSA-N	571.360	6.334	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079290	FHIAENSIVCMKBA-OVCLIPMQSA-N	691.322	7.974	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409082291	SBWBZTUROWDVOS-VGOFMYFVSA-N	584.295	5.520	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)OCO3	409104577	FWWGYGJYEHLLCN-QHCPKHFHSA-N	501.753	6.173	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccccc1F	409146874	UHAXBPRPGDJRDH-AREMUKBSSA-N	554.062	5.839	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1ccc(Cl)cc1	409188701	KEHDDZZOQUKEPF-BRJLIKDPSA-N	508.718	5.427	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	409213948	VMQDLDUWCJHXMF-KBKYJPHKSA-N	707.715	6.279	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409234886	AEHAXJJKPNMESQ-FVHJOOJJSA-N	518.013	5.849	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409262568	IWHSBWJQQZACGI-LICLKQGHSA-N	622.825	7.083	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccccc1C	409273536	YXHQPJVRTRUTHP-ODLFYWEKSA-N	626.407	5.470	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OC	409302621	JTUAROXODYJULX-FDVSRXAVSA-N	528.392	5.348	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OCC	409319297	DAVVEPDSLGGPKB-LJUMEUDFSA-N	645.494	5.577	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1	409360937	OBLNZYOQLQAGIG-MBTHVWNTSA-N	560.286	6.191	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc2c(c1)OCO2	409368221	UYRKNLJLMUNETI-NSKAYECMSA-N	522.182	5.828	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCc1ccccc1Cl	409373141	QWRHWLURPSDWAU-ZDLGFXPLSA-N	580.647	7.359	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCC(=O)Nc1ccccc1	409390059	DLSLPKVSYONXLX-ODLFYWEKSA-N	542.348	5.911	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc(Cl)cc1	409395468	NYCFLMXBNFRASQ-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccco1	409397444	JYKQITRDBURUJR-UHFFFAOYSA-N	501.901	6.204	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(F)cc3)o2)cc1	409402628	KIEPECHXOMTANA-VHFSBPNMSA-N	659.512	6.949	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)c(OC)cc1Cl	1067723	LPMJBBKPPUESOB-MUUNZHRXSA-N	575.090	6.064	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)ccc1OCc1c(Cl)cccc1Cl	1782575	KGRSOMYWAXKENA-BAXYXGPBSA-N	521.828	6.460	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)nnc1-c1ccc(Cl)cc1	1826637	VISCSXJVIKSJDU-MUFRIFMGSA-N	500.027	6.167	50	40	KKGB	
O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12	1948610	MMJHSBFIRITNHR-UHFFFAOYSA-N	550.210	5.513	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(=O)OCCOC)c1C	2445296	UVVUHAAUXRJOPB-AQTBWJFISA-N	511.625	5.445	50	40	KKGB	
CCc1ccc(OCC(=O)N/N=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)cc1	3096138	PHJMUBWETIDUHN-DHRITJCHSA-N	537.579	5.355	50	40	KKGB	
O=C(/C(=C1\SS/C(=C(\C(=O)c2ccccc2)c2ccccc2)S1)c1ccccc1)c1ccccc1	5052021	WGSSHGZTWZDQDU-IDDWGTJGSA-N	508.689	8.618	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OC)c(OC)c3)cc2)sc2c1CC[C@@H](C)C2	6167138	GUZFOQPHPLHGIU-OPEQJANBSA-N	593.702	5.237	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OC)cc3)cc2)sc2c1CC[C@@H](C)C2	6167178	CYPYSVIJHKYKHR-AJDRQSTISA-N	563.676	5.228	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCCOc1cccc(C)c1	9057156	QXUMAXSJZKRLSD-HAVVHWLPSA-N	505.578	5.555	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c1C	13174263	AJFKLMYAGFHYQW-VWLOTQADSA-N	506.071	6.394	50	40	KKGB	
COC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1Cl	20028835	KHJUZXROACKIKE-JOCHJYFZSA-N	502.423	5.543	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)C2CCCCC2)cc1	23410600	MRLVJYDAJRYKEO-TWKHWXDSSA-N	519.667	5.048	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c2ccccc2)cc1	59888772	SXRXBDYRQKJGIO-KEIPNQJHSA-N	622.143	6.062	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	97950404	UWJSONWAPOFTOD-QHCPKHFHSA-N	530.477	6.403	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	97958123	LJVNEYPBAWUQBH-FEIWSWQDSA-N	673.597	7.379	50	40	KKGB	
Cc1ccc(S(=O)(=O)n2cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)c3ccccc32)cc1	97959627	FBYSVEHAGVXGKD-NBVRZTHBSA-N	520.408	5.495	50	40	KKGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(c3nnc(SCc4ccccc4Cl)s3)C3=C2C(=O)CCC3)c1	98006252	XAIUDTOUUOAVSO-QHCPKHFHSA-N	566.108	5.806	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	100070697	GJDOXIIFMZSIRW-UCMJSZAQSA-N	606.148	5.090	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)c2C)cc1	100119352	YRLKNOGESUUERO-FDAWAROLSA-N	549.096	5.786	50	40	KKGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(OC(=O)c3cccc4ccccc34)cc2)c(Br)c1	100554479	YIVFBMWBRZDOFY-UHBFCERESA-N	531.406	5.967	50	40	KKGB	
CCN1C(=O)/C(=N/NC(=O)c2c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n23)c2cc(C)ccc21	102806128	WRJQXDOMKWHGBV-FMIFUCRQSA-N	552.638	5.813	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc(C)c1	103884254	OPSZCNSUUMZADU-UQQQWYQISA-N	560.492	5.991	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1	103884800	WPCOSUWTJRBSLO-JWGURIENSA-N	536.857	5.937	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Br)cc1	103887099	JRLBMRRBCBPNIO-JLPGSUDCSA-N	531.450	7.009	50	40	KKGB	
CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341730	UFYMTXMHXJQRQQ-MRXNPFEDSA-N	670.376	11.010	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)cc2I)cc1	150472960	KULQTIWLAJVQEY-CAOOACKPSA-N	681.224	5.943	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)c(C(=O)OCC)c1C	150617256	SAKDHIXZSSECDJ-RGVLZGJSSA-N	691.515	6.460	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(=O)(=O)c1ccccc1	162474567	MADIOVYYPFPMRI-QNVXDBMFSA-N	741.875	7.351	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408570736	XXKYKSABYBAKQD-SXGWCWSVSA-N	513.285	6.089	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1cccc(F)c1	408581796	ZJUANFBHSMJPJH-CAOOACKPSA-N	568.213	7.779	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408604301	HZUWTEZGBWAMGL-AWEZNQCLSA-N	539.246	6.375	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408611428	QXUOQQZLPKDADR-VFLNYLIXSA-N	520.800	5.001	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408644281	QVDXOBHTLSZEEL-ODAXIHTASA-N	737.228	6.375	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1cccc(C)c1	408676919	NPMYMUYPHDABIU-STBIYBPSSA-N	522.443	5.709	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	408718122	KSXSPWUZHRVBCH-AMVVHIIESA-N	591.289	6.724	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1	408742332	OJMWPZUFCXEABX-KVQDIILNSA-N	512.657	7.421	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408758782	RCHBAWFUDGPWPX-LTGZKZEYSA-N	543.557	5.460	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408771136	DJKURRWDPSIJBO-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408788509	KNDFNQHTECCYHW-RDRPBHBLSA-N	619.515	8.315	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408788682	FFPAIGKGNOYVTJ-RQZCQDPDSA-N	604.198	6.087	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1ccc(Br)cc1	408799395	YXJFUKKDEDOLMC-UDWIEESQSA-N	614.290	6.522	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC	408816331	YHCKKNBUHBMTLU-XNTDXEJSSA-N	508.210	5.945	50	40	KKGB	
COc1c(Br)cc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)cc1Br	408844733	FEWVWCDZTXKNQM-VPUKRXIYSA-N	615.149	7.487	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(Cc3ccccc3F)c3ccccc23)cc1	408850834	RYYDRAZVIYFPGU-IDWIKUEFSA-N	526.615	7.359	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(F)cc1	408851580	LIFOWQYRKSYXQH-MTJSOVHGSA-N	503.961	5.814	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1	408852414	KNWRWZHZWMSAND-IPHFVPNQSA-N	594.509	7.567	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408855567	ODROPBHCCGQRQP-KEBDBYFISA-N	574.302	7.896	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	408871419	ZBWHWWMVPCAFAT-UACWCTJZSA-N	674.222	8.540	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1Cc1ccccc1Br	408878193	XXKDAQCWIZFTHY-BUVRLJJBSA-N	679.352	7.778	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)c(Br)c1	408884518	ZQINWZRRCOQGHH-LZYBPNLTSA-N	674.014	8.714	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccccc1O	408884778	VORDCHTVODTHIB-GATIEOLUSA-N	632.623	5.598	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1cccc(I)c1	408886376	KIIZMKFQMSLPMH-OQLLNIDSSA-N	688.135	6.130	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(Br)c1	408889268	BYFMZXJVBJJGHD-XYOKQWHBSA-N	610.056	6.996	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)O	408895521	KZPTWTBKPIOCHD-XMHGGMMESA-N	541.357	6.065	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccc(F)cc1	408900574	WEZVOAOBLDTJAL-XDHOZWIPSA-N	588.271	7.183	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)c(OC)c1	408957661	VJBMRZWCTGFCBS-VOSMKULASA-N	809.306	6.282	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1cccc2ccccc12	408984802	SRDALWRGPFSYPX-QRVIBDJDSA-N	575.890	8.088	50	40	KKGB	
COc1c(Br)cc(C(=O)N/N=C/c2cc(Br)c(Sc3ccccc3)o2)cc1Br	408996398	IBHDTSYVRUMLHJ-AUEPDCJTSA-N	589.103	6.491	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1	409007219	VNQYHKTTWGTKAI-LZXVHXDBSA-N	569.957	5.850	50	40	KKGB	
COc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409013565	MTYFNSDFIPBWAI-UHFFFAOYSA-N	665.234	8.005	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccc(I)cc1	409018317	UISYGUYBYBFFGO-DBFSUHOCSA-N	609.247	7.086	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccccc1C#N	409023279	WMRZCKCIAFBNQV-CPDSRJINSA-N	552.812	6.462	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1Br	409028441	MMRFWTSURGGDSS-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409030703	FADDGMNTZVIOQI-OHUYPAJKSA-N	662.325	7.612	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccccc1	409050547	WVKJWLMBVJSXHK-DPNNOFEESA-N	569.086	7.559	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409066706	CGQLLCLUOCZDRE-SFQUDFHCSA-N	561.841	5.815	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409077115	DGIHHXNWGYNHNQ-NSIKDUERSA-N	531.177	5.229	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(O)cc1	409089629	JHONRSDERPQBST-NTUHNPAUSA-N	604.167	6.072	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc(Br)c1OCc1ccccc1	409120181	VRRNFEVNBISMQD-UBXTYJAUSA-N	513.457	5.976	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409126547	CGSSTFBAZHFBNO-FQEVSTJZSA-N	599.106	6.912	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C)cc1	409127879	HYHXNWJGEPPZEU-NDEPHWFRSA-N	515.654	5.355	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409228934	HJONVCYVJGPSCM-IWIPYMOSSA-N	518.997	5.672	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)cc1Cl	409229543	QWCXQYFWTZMPNI-KKMKTNMSSA-N	519.454	5.620	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1	409256761	PSWLYHINQYIIOP-LPYMAVHISA-N	532.438	6.246	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccccc1C	409256867	NVWMAPMWSYCCHM-MTJSOVHGSA-N	595.437	5.788	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1C	409261533	CUSPROLFHYAWJF-NVMNQCDNSA-N	617.725	7.045	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCCC)c(OCC)c2)cc1OCC	409318166	UZMSVGQKGILHSO-QQXSKIMKSA-N	507.425	5.588	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1OCC	409321906	HTQFXSUKUKQNJB-MWLSYYOVSA-N	554.441	5.336	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1OCC	409324113	SGOJZEPANKKIIY-NUJZUDFISA-N	610.730	7.005	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Cl)cc1Cl	409368572	CJPZYDNERKXBDX-FXMZOFOKSA-N	624.171	6.404	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	409372451	KXYCOMQPRKCNBD-FDVSRXAVSA-N	508.361	6.327	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409372633	MXSYTSSKCBNUBF-ZRGSRPPYSA-N	675.648	5.729	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	409384717	FMHXOZCERDZJLO-LSCVHKIXSA-N	549.252	6.439	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)cc1OCC	409395195	KVNISDBQUXVCHO-UHFFFAOYSA-N	757.838	8.933	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)[nH]c12	409396280	XLWUWXRIJUFERU-UHFFFAOYSA-N	588.414	6.191	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)[nH]c12	409396658	ZUGOUNZGMCUEIZ-UHFFFAOYSA-N	580.482	7.451	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409396908	CUUOQDPCUCMHNL-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)[nH]c12	409398634	UYBVNFXNUTUYQN-UHFFFAOYSA-N	541.991	6.635	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1F	409400866	FTMLBBMKKSWGLQ-OCUJFKKWSA-N	723.983	7.611	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1	1529548653	KWJLYCYACUAHIT-JKYKOXDNSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(C#N)cc2)c(I)c1	1529548773	NRDCMQBOQGKSTC-TXWDNMQDSA-N	788.462	5.389	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	2379373	VHFMVNKYPMPDHF-UWXVCKHVSA-N	526.127	7.829	50	40	KKGB	
O=C([C@H](Br)[C@@H](Br)c1ccccc1)N(c1ccccc1)c1ccc2ccccc2c1	3014147	LHOGLIXASJCYPP-BJKOFHAPSA-N	509.241	7.404	50	40	KKGB	
CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	3767767	ZLTXHCUNWSWVSC-XDROXUPYSA-N	565.457	5.630	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1	8396531	QTRSCGRAIGSGSD-WXYRIVOPSA-N	676.040	7.505	50	40	KKGB	
CCOc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(C)cc3)C3=C2C[C@@H](c2ccccc2)CC3=O)c([N+](=O)[O-])c1	8456159	MVELHYCXIJRZAD-MNNSJKJDSA-N	520.589	6.000	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCCCOc1ccccc1Cl	8875025	HBQNFWMYUOINPK-RWPZCVJISA-N	507.801	6.267	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	9057654	JJAPFYHEFXTGAI-RUZDIDTESA-N	519.026	5.948	50	40	KKGB	
CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)cc1	9507932	MAAVIBOHYOJHJH-CLCOLTQESA-N	510.667	5.741	50	40	KKGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	19952455	AMZPIFSZVVPFPE-UHFFFAOYSA-N	514.648	5.567	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1OCc1ccc(Cl)cc1Cl	33389093	OHZLTYWAQWROSV-SXGWCWSVSA-N	514.321	5.740	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(Br)c(Br)c1O	34880080	CWZUVBFSMZLSRD-NVNXTCNLSA-N	502.162	5.625	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCC(=O)OCC	59336552	JPEWPSWOZJHODN-PDGQHHTCSA-N	503.382	5.608	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c1	97960781	ZEWRCJXEHLLNLG-ZDLGFXPLSA-N	563.222	7.031	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	97999916	NEIFAGHOAXVDKU-HHHXNRCGSA-N	598.046	7.170	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	98000023	ZLESVIUUEJGSSU-HHHXNRCGSA-N	563.510	7.008	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)S(=O)(=O)c2ccccc2)cc1	98001282	GNLVHYFHQNLVFX-KEIPNQJHSA-N	622.143	6.062	50	40	KKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2OC(=O)c2ccc(Br)cc2)c1	98001668	POSGYAPGCNNHIX-VFLNYLIXSA-N	633.293	6.300	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)OCC)=C(c3ccccc3)N2)=C(C#N)[C@H]1c1ccccc1Cl	98045721	KFTZEBZDTAILEQ-VSJLXWSYSA-N	805.809	9.910	50	40	KKGB	
Cc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccc(C(F)(F)F)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1	100032577	DVRPRTALGOAVPG-QHCPKHFHSA-N	523.536	5.540	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1	100091263	WQEMIYZTBRHJSF-UXHLAJHPSA-N	537.991	5.679	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C\c3ccc(Oc4ccccc4C#N)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(Oc2ccccc2C#N)cc1	100297017	BDCHCTAGRPHBDK-UNGDKYOZSA-N	616.662	5.189	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100336613	WPGGZEQASOIGHQ-IUXPMGMMSA-N	568.092	8.170	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(F)cccc3Cl)sc2c1	101394408	YGYXSXIVFRYBRX-OAQYLSRUSA-N	525.388	7.093	50	40	KKGB	
CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	101895075	GXUMEDCUYOGUSV-NSIKDUERSA-N	532.161	5.656	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1	102611208	VKWNGFWYHYFLKL-MHZLTWQESA-N	534.125	7.960	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	102896013	PLIKKJJWYMHJTQ-UMADGWCESA-N	536.679	7.084	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccc(OC)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104698938	HGULGOCUIBHQHX-ADJAZIKJSA-N	555.700	6.082	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OP(=O)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	118923691	IBWCMFBZOKGJGP-MIJVMADQSA-N	586.841	10.342	50	40	KKGB	
ClC[C@@H]1COc2cc(Br)c(Br)cc2OC[C@H](CCl)S[C@H](CCl)COc2cc(Br)c(Br)cc2OC[C@H](CCl)S1	150355308	XBMCKLVQXOBVAV-SYMSYNOKSA-N	902.014	9.862	50	40	KKGB	
NNC(=O)[C@H](CSC(c1ccccc1)c1ccccc1)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1	150383121	UNCVLMNZIBQLLX-YATWDLPUSA-N	781.016	8.004	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	150385614	RSECZMPWEOYBIS-PTEHHBOZSA-N	657.929	7.419	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1Cl	150385849	SUISJPGJOFLHFF-OHUYPAJKSA-N	662.437	6.547	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCc1cccc2ccccc12	216043431	NCXQUDFSMJJIBB-LJUMEUDFSA-N	578.450	6.342	50	40	KKGB	
C[C@H](Nc1ccc2ccccc2c1)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1	254606692	IQGOVVNWRMCMOQ-IBGZPJMESA-N	502.412	6.132	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	408539334	VOZITLLHOJFTSE-ITYLOYPMSA-N	549.583	6.697	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	408539828	JYXDKRQBIUDWBD-HWIUFGAZSA-N	597.550	7.549	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(Cl)cc1	408552110	HJIRBYLHZJLFMQ-CXUHLZMHSA-N	536.640	7.491	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553868	QARDBUUBCVVRAD-OVCLIPMQSA-N	565.240	6.872	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccccc1C#N	408566875	BFHQARKOKWKDFW-WCMJOSRZSA-N	659.571	6.148	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2ccc(F)cc2Br)o1	408569479	OECBYXMDQZATQG-BRJLIKDPSA-N	521.433	5.856	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(C)cc1	408569522	OKBUBOLOWTWZBM-WKULSOCRSA-N	634.561	6.195	50	40	KKGB	
CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)c(C)c2)CC1=O	408668929	RKPPVHXIUSEJML-SMSCUUOKSA-N	672.414	5.361	50	40	KKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(I)cc3)o2)ccc1Cl	408712110	ZTQONKSUMVMGKD-WYMPLXKRSA-N	522.726	5.145	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(I)c2)cc1	408745277	LALKYOGMNGDEAU-PDGQHHTCSA-N	528.321	5.564	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408746920	HUEDCGGFGZKIJG-PXNMLYILSA-N	611.117	7.652	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408750443	NANUJLNXFAZKMI-LJUMEUDFSA-N	733.300	5.769	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc2n1Cc1ccccc1Cl	408760631	BZNLHWFAIUEYHG-UYRXBGFRSA-N	504.815	6.960	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1	408782062	FRFYQDMIFMSZLO-XHPQRKPJSA-N	542.477	6.012	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c(C)c1	408788262	BUDBDDHALDTEKW-DJKKODMXSA-N	679.252	6.546	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1	408792014	GPCPOGADKUXHPB-XDHOZWIPSA-N	526.228	6.645	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1	408796705	PPHWCHIPOREIPA-SSDVNMTOSA-N	657.733	8.293	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)cc1	408824702	JBPMFLKWOWTCGA-OKCVXOCRSA-N	540.016	5.536	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408830602	SHPGOHXHVDUDHM-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	408838927	KITPOEZNOVDINO-CCVNUDIWSA-N	507.015	6.297	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408840042	AOIDNHFNTOMZFO-IRWBXMRWSA-N	724.003	9.220	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5ccc(I)cc5)c(I)c4)cc3)cs2)cc1	408842013	HUZIAUZXNKUEHY-QNVXDBMFSA-N	896.330	9.019	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)c1	408844407	OKQKPNGTAHYHTD-KVAAJVFYSA-N	602.499	7.752	50	40	KKGB	
CCOc1cc(Br)c(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC	408845309	VVEVKZDHBVZXOW-KVSWJAHQSA-N	571.419	6.158	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccccc1	408845681	HDHYAWBXPAWCAR-UCQKPKSFSA-N	591.449	6.016	50	40	KKGB	
Cc1c(Br)c(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1	408850149	GYCBSOQNPWESSK-WJDWOHSUSA-N	535.077	7.446	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408858300	YCTCWXRHCZOSLA-PGMHBOJBSA-N	596.492	6.532	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408863019	OIZXJZFEMPYNDM-XODNFHPESA-N	659.784	5.369	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccc(Cl)cc1	408865743	DXFFCYMHAIOMRS-SRZZPIQSSA-N	541.431	6.212	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1Cc1ccccc1Br	408871731	ZRHTXNJKHSSALE-CIAFOILYSA-N	523.858	7.255	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	408876962	SCENVEJOLSKSHZ-QNVXDBMFSA-N	782.453	6.615	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3F)c(OC)c2)cc1	408877482	WEOUESARCPJTMH-WOJGMQOQSA-N	542.348	5.584	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408877614	WFNPSTGGOHEKLZ-FRKPEAEDSA-N	555.767	7.799	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1Br	408881005	JVFSTMQGBNRORG-RQZCQDPDSA-N	610.224	7.364	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c2cc(Cl)ccc2C)cc1	408885082	XDAMBQBAQKGZAT-QLQYKETESA-N	633.170	5.040	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1-n1cccc1	408888501	WEGKKYOAWRKHMN-WKULSOCRSA-N	587.699	6.999	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	408894659	KCJVPIGDBBFXMG-DEDYPNTBSA-N	525.424	5.688	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2ccc(C(C)C)cc2)cc1	408895950	WOBMZNKYGWDCML-FDAWAROLSA-N	564.111	5.612	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OCc1ccc(F)cc1	408921783	BYOIMBQHUPMAHO-CXUHLZMHSA-N	597.211	6.870	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408924299	MQJMXITUEKUTJO-HYARGMPZSA-N	568.416	8.333	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(I)cc1	408947275	BQGSJBDEDQSYBV-MTJSOVHGSA-N	703.318	6.231	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408949225	FCFKMSGZALWACP-NAWMDJKCSA-N	893.300	6.510	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(C)n(Cc3cccc4ccccc34)c3ccccc23)c(OC)c1	408954765	NMKKEBGAINTEOT-YAPGJASFSA-N	659.743	5.880	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408965703	XGFRWVDEMOQBHT-MHDJOFBISA-N	526.942	7.254	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1O	408969119	HOBONFMALUJINS-QELSLTSCSA-N	584.500	5.471	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cccc(C)c1	408986753	DJNRZDWXCYZIOI-UCQKPKSFSA-N	535.869	7.573	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1	408991384	NQUJUGXTQQOYIF-XMHGGMMESA-N	603.641	6.702	50	40	KKGB	
Cc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cc5cc(Br)cc(I)c5o4)o3)[nH]c2c1	409012101	JBMTTZSUNRBEMO-KIBLKLHPSA-N	621.254	6.493	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1	409022055	ILGRKVKMFUKPBD-NUJZUDFISA-N	524.802	5.759	50	40	KKGB	
C=CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	409035305	SABNIJRYESDKEF-BIZUNTBRSA-N	518.642	7.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409068387	SMTWQAJJGBPCHH-NBVRZTHBSA-N	512.971	5.061	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409093444	ZIBVFTPZKKVCAT-RIYZIHGNSA-N	620.743	6.108	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3C#N)c(I)c2)C2=C1CC(C)(C)CC2=O	409127606	OGXLKCIVADXWDD-AREMUKBSSA-N	608.480	5.125	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	409141616	WDEYMSKBLIWGBN-DPNNOFEESA-N	610.063	5.175	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc(Br)c1OCc1ccc(C)cc1	409184859	OOPXTRBGGIZXPU-ALQBTCKLSA-N	682.662	6.721	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)c1cccc(O)c1	409188451	ZGHIUKDKOQOFIO-MSXFZWOLSA-N	504.178	5.260	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1	409222430	CYNORRSJAZSGKJ-CPNJWEJPSA-N	598.881	6.463	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409224611	MSBLSXKKLHUDKG-VCHYOVAHSA-N	601.828	5.825	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc2ccccc2c1	409240478	KVWIAEKBZGAWOU-FJEPWZHXSA-N	535.069	6.120	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409241403	XFRAPEYXBVWAGV-VQGOXPAXSA-N	548.712	7.071	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409259687	CNTGGVSPRHVOKC-ZEAZYGNCSA-N	604.545	6.221	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409273449	YCNSUYUMOKEAIF-KMUKQRDJSA-N	605.720	6.961	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1OC	409314808	HNFHNNGZIDAZSR-WKIKZPBSSA-N	646.741	5.804	50	40	KKGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C2C#N)cc1Cl	409315562	JEAZOAGBYKSIEG-ZDUSSCGKSA-N	530.355	5.731	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCc1ccc(F)cc1	409315670	WJGHZCFRILRVKV-HQDYHJHZSA-N	654.476	6.760	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc2c(c1)OCO2	409362696	JWVYQRIAQIOZCP-BNCCVWRVSA-N	582.075	7.890	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1OC	409364207	NNOXVGJGIHBIKG-YKQZZPSBSA-N	512.566	5.379	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	409370033	JTTZTALBQYKIEP-FZKWRIDDSA-N	591.693	6.652	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1	409387209	UUZGHESOGSEJOI-AMVVHIIESA-N	550.423	7.612	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)[nH]c2c1	409391590	JXVOKDGIDSFZDU-MFOYZWKCSA-N	571.802	6.481	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395576	PHJJWBKDRRMAKK-UHFFFAOYSA-N	666.915	8.116	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4cccc([N+](=O)[O-])c4)c3)o2)cc1	409404798	RBVAMCZJDUOXEQ-APTWKGOFSA-N	564.598	6.517	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OC(C)(C)C)c(I)c3)o2)cc1	409406468	WVVJBOIATFKFTL-ZMGVVAQMSA-N	737.376	7.417	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)o2)c(C)c1	409409704	QEXRPJYTTIZHET-OHUYPAJKSA-N	551.599	6.385	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	1529544208	AKAIBHNRPPRKQS-MEIHFEFKSA-N	587.485	5.138	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1	1529547832	PQJOFKHDIFMQHB-XINRNAFCSA-N	936.348	5.964	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	1529547993	UWEYSAMRTMUWDS-RGPUIQDNSA-N	608.720	5.304	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	1529548179	YPAFPXXAXFYPPY-MKEMXLLOSA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccccc3Cl)cc2)sc(C)c1C	1785464	PGPRBVDJEOSGQN-KXVDBBMMSA-N	528.030	5.365	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(O)(c1ccccc1)c1ccccc1	1792182	OAVZPBRHNTXYPD-JVWAILMASA-N	520.339	5.004	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	2085206	QZSCOQWXVBPKGT-XKJRVUDJSA-N	548.345	5.497	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	3112664	MIPLPHIKEAOLQK-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
CCCCCC/C(CC(=O)CCC(=O)NCCc1ccccc1)=N\NC(=O)c1ccc2ccccc2c1O	5891709	QHFXLZUKKOVVET-INKHBPHZSA-N	515.654	5.700	50	40	KKGB	
C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1	8399018	WDHISYSQEJEPFX-DFDIYMMZSA-N	605.562	6.049	50	40	KKGB	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCC(=O)c4ccccc4)c(OC)c3)n2)cc1OC	9075749	MCKGWVXOGTZCNB-XKZIYDEJSA-N	512.587	6.162	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccccc1Br	20241545	VUDNJASXCYRBMY-STBIYBPSSA-N	518.480	6.913	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccccc1Cl	58871229	KZUCHXDJPAHIIH-MUFRIFMGSA-N	520.010	6.005	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1)c1ccc(F)cc1	97972257	OBOPRPVDHANKTK-HVMFUDPSSA-N	628.515	5.953	50	40	KKGB	
N#C/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cc(Br)ccc1Br	97981636	JUVHQKLWHMHCFP-MHWRWJLKSA-N	555.248	5.448	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3CC)NC(C)=C2C(=O)Nc2ccccc2)cc1	97999389	NPOUFNLESMRPJF-PMERELPUSA-N	552.700	6.354	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)NCc3ccccc3)=C(C#N)[C@@H]2c2ccccc2)cc1	98048561	ARQXNPSKYKIKIW-LJAQVGFWSA-N	566.683	5.248	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	100062751	MSSIITNKXABDAE-ZMFRSBBQSA-N	536.651	6.137	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OCC	100226119	RTBREKBDCXROAM-WCMJOSRZSA-N	584.016	5.502	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	100360890	DUXCKONKUUPIFH-ACXHZZMFSA-N	615.495	5.075	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)N2CCCc3ccccc32)=C(C#N)[C@H]1c1ccc(C)o1	102224888	WVYTXBCESPULKY-LJAQVGFWSA-N	554.672	5.644	50	40	KKGB	
O=C(Nc1ccccc1)/C(NC(=O)c1ccccc1)=C(\S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	103042046	SGUIQZAGGDWXGU-UHFFFAOYSA-O	559.651	6.148	50	40	KKGB	
O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2oc(-c3ccc(Cl)cc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1	103618640	WEQTYSBUYLZKDQ-PXJZQJOASA-N	629.120	6.400	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103887806	LCBGCPDMQSKYNE-NVMNQCDNSA-N	546.248	7.198	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	103890788	SAHKFVQOBJLPSI-ZDLGFXPLSA-N	611.150	8.916	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)N=C3CCCC(O)=C32)ccc1O	104096244	LGBNIVMRORPTIL-HSZRJFAPSA-N	529.540	6.061	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Br)cc1	105081607	CTXXVEONOMMUCU-XQNSMLJCSA-N	527.418	7.126	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	105626819	PCFPGZYNMQPDIT-NUJZUDFISA-N	547.391	5.401	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1nc2ccccc2[nH]1	113831858	OWJYOPHAIZXCSU-CXUHLZMHSA-N	527.191	6.870	50	40	KKGB	
CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341446	WUJQGUDQVVHQHZ-JTQLQIEISA-N	936.263	13.117	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1I	150539746	AUUUGPIEIGWWLK-YVLHZVERSA-N	732.097	6.625	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C/c1ccc(Cl)cc1Cl	150620412	AUKGUCDDGHXXCA-UUAJIBDESA-N	680.420	7.891	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	164615283	VFSOPAIZHUDWJN-VSMKPTLZSA-N	641.731	9.250	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1	216063608	SGZLXHKXADXLSV-OGLMXYFKSA-N	558.416	5.822	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	408539687	JKXNQZMVXNIZGB-JDCMOKTRSA-N	518.654	6.786	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1	408540110	NEUUESRUWSXVNO-IWIPYMOSSA-N	603.900	7.815	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1	408552578	JZEUVOBPLBYANE-OQLLNIDSSA-N	559.272	7.447	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408555152	VWWSQXRCSYTISG-OVCLIPMQSA-N	573.230	6.987	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408581458	IFXCXJOTZSWNPA-RGVLZGJSSA-N	586.382	6.258	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408587797	UQFRPIJIWKNKOC-IUXPMGMMSA-N	581.193	7.158	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1	408608749	IMUBDJMGLNTLRN-RWPZCVJISA-N	500.382	5.450	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408637554	AHRXVUZDMQIEJO-OAHLLOKOSA-N	647.657	6.881	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)c1	408710723	WZJZOYCIZBHALA-UVHMKAGCSA-N	578.257	5.580	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccc(Br)cc2)cc1	408720279	XLKSXWJJRVBWPK-AJBULDERSA-N	608.514	5.986	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	408765309	XQJMPSNWRJLLSL-VMCVTNGESA-N	543.689	5.571	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)cc2)cc1	408780521	CQVJUCUJZQULSM-QXUDOOCXSA-N	532.644	5.335	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(Br)cc1	408791581	YZEXPCKYXNIMOF-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)c(C)c1	408792202	JLPFDIHJPGVZKL-UFFVCSGVSA-N	565.265	6.825	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408796275	ORFXYLWLUGNLQK-XDHOZWIPSA-N	574.258	7.057	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1	408797466	RUWARAQWXXPXPO-YBFXNURJSA-N	621.258	6.899	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	408797954	UONAHPYHTSKXFT-REZTVBANSA-N	578.663	7.437	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1cccc(Cl)c1	408804547	ATRUKECCGSXERM-GIJQJNRQSA-N	593.248	7.121	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1	408806259	IMHMABLRNANFFT-DJKKODMXSA-N	515.824	7.479	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Br)cc1	408811162	MCYJFZRCQTURLA-MTJSOVHGSA-N	600.307	6.421	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1	408820337	VQIBLCFZRPNQCL-FXMZOFOKSA-N	745.105	6.446	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408824348	ICEGPXWZKSESQK-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC	408826565	FAVRHHHJXMQZAW-WKULSOCRSA-N	627.344	5.675	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	408828185	LJOIXGQBPSWLJA-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408835503	XIMAMAQJKHQJMK-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccccc1Cl	408846876	RPAATZVJSBQBOZ-QNVXDBMFSA-N	729.427	8.817	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)o2)cc1	408847523	SPQYUAMGFCYCLA-VTNSRFBWSA-N	571.058	7.408	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408852950	JZOORDKTJKQPOH-KKMKTNMSSA-N	523.214	5.893	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc2c(c1)OCO2	408853788	SDLUDUNQWWZGBD-QDTIIGTASA-N	537.366	5.666	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408864491	WKNMLTRILIJJEA-ZSNJKBEMSA-N	678.649	7.123	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c(OC)c1	408865013	BPFBAWVPIWPTAU-AWQFTUOYSA-N	724.289	5.414	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Cc1ccccc1Cl	408873839	XHJVSEYKWLMBMA-YZSQISJMSA-N	509.005	7.064	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1Cc1cccc(F)c1	408875065	CIBMRQPZRAIDJG-VXLYETTFSA-N	526.349	5.884	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cccc(I)c1	408879485	DQIUHGNCUNOSFB-WOJGMQOQSA-N	514.750	6.069	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408879973	IBKACYSNBHQJFZ-WOJGMQOQSA-N	531.417	5.932	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1Cc1cc(C)cc(C)c1	408880611	GATCAPSLHSCRSK-SRZZPIQSSA-N	570.858	7.015	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408882422	PATLBYVKNDEUKY-LQKURTRISA-N	594.378	6.011	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl	408882451	OFOPQUJKYZMOSQ-ZTKZIYFRSA-N	528.074	5.404	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OC(=O)c1ccccc1	408886157	DUAQGXSWWAEJNH-CPNJWEJPSA-N	584.264	6.684	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1	408888725	ZQNQNKKOYWPIPC-SFQUDFHCSA-N	556.210	5.985	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2Cl)cc1	408891202	MXTYQIKJVRWFSV-MHWRWJLKSA-N	566.260	6.378	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(Cl)c(Cl)c1	408892783	CLQLTYITFPFXKY-YPXUMCKCSA-N	591.514	7.515	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(OC)c1	408926928	ZUOIORAORWGGGX-SUOIOASJSA-N	630.101	5.072	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c([N+](=O)[O-])c1	408941381	DOCLOJAJDLEQJD-HKBQPEDESA-N	732.613	5.975	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408941793	KKMTVFJWOVWQSC-BIKKEBSBSA-N	712.588	7.546	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408944098	IIHZKGOKOZICBE-GDLZYMKVSA-N	657.576	5.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1F	408951440	UBFRNRCZYHXQJN-HHHXNRCGSA-N	645.540	5.597	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(OC)c1	408958207	XUCRPJBTFCUXKH-QVTHKRDASA-N	754.849	6.717	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	408970549	BEZUKGSDUCHYEM-RIDWNQMISA-N	584.887	6.552	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	408972566	VHXKSOZOOBQPBX-CWQOXUROSA-N	506.474	5.739	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	408976655	BNFMONZSWMVHSS-IHMSYIQPSA-N	574.450	6.179	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(I)cc1	408983081	KFFKFOOXSQGLKZ-NVMNQCDNSA-N	593.248	7.040	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408983437	MEJCQGMGZZEUPF-LSCVHKIXSA-N	603.800	6.295	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c2ccccc2)cc1	409002234	MMPFZEXENHAMGQ-ORCNLAPZSA-N	585.129	6.211	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(OCc2ccc(Cl)cc2)c1	409031773	BBJOKKBJFQPMPV-HPNXWYHWSA-N	563.101	7.744	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCc1ccccc1Cl	409038972	QCIHTXYNTFNWLD-GKVNEZTPSA-N	576.096	8.025	50	40	KKGB	
CCOC(=O)c1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409040500	YLHSWRJSZZEIFE-JEPNHJGPSA-N	608.492	7.184	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(C)C)c(Br)c2)cc1	409045600	GOHVFFROXHICKW-CXUHLZMHSA-N	522.237	6.191	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(OCc2ccccc2)c1	409050233	STBZBOLQBZHINF-QCFMCPCVSA-N	528.656	7.091	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(OCc2ccc(I)cc2)c1	409064992	RMNBQTMMWWWXGL-JVWAILMASA-N	572.403	5.389	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccc(Cl)cc1	409111350	ILAFOUZKEPGCEL-HNSNBQBZSA-N	593.149	6.109	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1	409132066	OMTWPMYHPHKCTE-HHHXNRCGSA-N	501.627	5.047	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccc(C)cc1	409184753	MTWASOXVPXIUST-BIZUNTBRSA-N	602.669	5.145	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4Cl)c(I)c3)cc2c1	409191100	ZTRPWNOLOGAESG-DBFSUHOCSA-N	653.698	7.195	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12	409225873	RVWYUKJIZRGWRC-KUAZKQCOSA-N	605.050	5.534	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409225903	SNDMUEITKAZUFJ-PLHXZJCRSA-N	598.999	5.892	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccc(Br)cc1	409229489	PWBDLOSPDBHDPL-KKMKTNMSSA-N	655.356	5.681	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c(C)c1	409260709	VCACQXNUTDNYSE-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)c1C	409262530	FRMQHAPDSBRSJQ-VCHYOVAHSA-N	601.270	6.531	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409265974	XGJSSFBENQAYJI-UDWIEESQSA-N	629.882	6.523	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409271508	LUDWYYCBOODONY-NUJZUDFISA-N	558.860	5.899	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	409310139	QWXWQGYFGLSIKY-MWLSYYOVSA-N	509.990	5.227	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)ccc1OCc1ccccc1	409323925	QCOSBGKLEPDTRY-HQDYHJHZSA-N	654.476	6.760	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	409392404	MCUNTFDHBHWHEW-OCKHKDLRSA-N	529.305	5.780	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(OC)c3)c(-c3ccccc3)c2c1	409395447	NQYJLKRTCPMGGV-UHFFFAOYSA-N	691.376	7.750	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395470	NYOBSIPROSODPG-UHFFFAOYSA-N	822.635	8.509	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395735	RDOZADAONBPEKJ-UHFFFAOYSA-N	675.288	8.906	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409396394	YCMWJZCLVXHIDO-UHFFFAOYSA-N	661.306	7.072	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396395	PECCUXUZIAJQKE-UHFFFAOYSA-N	605.647	6.459	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409397557	LEWVPXKFJUKLKK-UHFFFAOYSA-N	572.448	7.524	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397743	NNBNWCDPQORIHS-UHFFFAOYSA-N	606.893	8.177	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc(Br)cc1	409397911	PKFDHSBEGWZTLL-UHFFFAOYSA-N	622.906	8.387	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398781	VSCJLASEGBFSKJ-UHFFFAOYSA-N	695.795	8.395	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1cccc(C)c1	409402997	LPMWEGJSYSQKJZ-AEVGBRMKSA-N	721.446	8.451	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)o2)cc1	409405689	UOIOUAIIOGZSBY-RODHXAHZSA-N	606.481	8.055	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(Br)c1	1529548226	ZETRXESXSJDRBF-MWKDUONYSA-N	686.028	5.875	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1	672507	GYJLFFUWVNUBCW-UHFFFAOYSA-N	532.394	5.003	50	40	KKGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	3083286	RSGVXXKORCPCCQ-YCPBAFNGSA-N	577.056	6.316	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)cc1OCc1ccccc1Cl	4196282	LCJGAIYSRUXRGJ-YPXUMCKCSA-N	647.545	6.685	50	40	KKGB	
Cc1ccc(S(=O)(=O)S[C@@H](SCC(=O)c2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)cc1	4972392	MVCWXKQXAMOXOQ-HSZRJFAPSA-N	614.402	6.767	50	40	KKGB	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC(=O)c4ccccc4)cc3)n2-c2ccccc2)cc(OC)c1OC	8396332	DMGXJMBOQUUNTB-QXUDOOCXSA-N	623.691	5.422	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1	9345256	AXMDJXKJZFVWEN-LVZFUZTISA-N	508.578	5.647	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	12250457	UJWUVJNBPYRKGS-RUZDIDTESA-N	519.026	5.948	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)NC2CCCCC2)N1	12250878	OFXWAAUBCJKCAW-HHHXNRCGSA-N	518.658	5.651	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CCCC2	16736025	RCVWXLHVKCSNAH-RCCKNPSSSA-N	516.619	5.937	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@H]1c1ccc(OCC)cc1	20130279	HWHLDFDCCLZCIG-HHHXNRCGSA-N	517.651	5.499	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1	20348543	NSRUAVCZZLTRFQ-VWLOTQADSA-N	522.070	6.062	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1	32519883	VYXPXHQHUFDODY-DHRITJCHSA-N	512.454	5.880	50	40	KKGB	
COc1ccccc1OCC(=O)N/N=C(\C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1OC)N2	36080549	XMMUZELILKGTAE-PKQHAMPESA-N	527.621	5.458	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCc1ccccc1	59197970	IUFSIEWMEUHJRA-YDZHTSKRSA-N	506.365	5.094	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OCc1ccccc1Cl	59222145	JKMQKFIIPIQUMG-OPEKNORGSA-N	534.750	5.068	50	40	KKGB	
CCC1=C(C)/C(=C/c2[nH]c(C(Br)Br)c(CC)c2C)N=C1C(Br)Br	73351286	QCSOKXWJZAPINI-QPEQYQDCSA-N	571.977	7.312	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	97951671	IOWLMHZXPSJUNF-AREMUKBSSA-N	531.659	5.716	50	40	KKGB	
Cc1ccc2nc(Cl)c(/C=N/NC(=O)COc3ccc(-c4cc(-c5ccccc5)c5cc(Br)ccc5n4)cc3)cc2c1	97962734	ULLCYWSDRVGTAU-SAEPALGJSA-N	635.949	8.370	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCCCN2C(=O)N(c3ccc(Cl)cc3)[C@@H](N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)cc1OC	97966447	YDCZUOFJLRHMEN-NLLYSOFASA-N	671.582	6.601	50	40	KKGB	
Cc1ccc(OCCOCCOc2ccc(/C=C(\C#N)c3nnc(NC(=O)c4ccccc4)s3)cc2)cc1	97968486	OPLPYXYGMYUVFV-LYBHJNIJSA-N	526.618	5.637	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	97980844	CXDIRZJHSHMAKJ-ALQBTCKLSA-N	553.647	6.678	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(Br)c2)N1	97999668	NLQPFNNZEFYSCS-AREMUKBSSA-N	593.934	6.809	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C(C(=O)CCC2)[C@H]1c1ccsc1	98006219	MOZOJQDNEIXAIU-IBGZPJMESA-N	545.637	6.215	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	100125857	HMGCIRCMUYKDQO-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(Br)c1	100750281	QXMHTZPEJADTFU-GXDHUFHOSA-N	543.240	6.727	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)cc1OCc1ccc(Cl)c(Cl)c1	101666308	JVCSPJAHLYTMKY-IPPBACCNSA-N	554.390	5.498	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102810168	BNNNREMUJFUZRO-MHZLTWQESA-N	557.607	5.749	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccccc1	103776324	AOUYLPSMFZCUPO-YVLHZVERSA-N	593.646	6.832	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)c1C	104136677	MVGFWCRRRFYEQD-VWLOTQADSA-N	506.071	7.234	50	40	KKGB	
CC(=O)N/C(=C(/S)Sc1ccc(Cl)cc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	105365632	WBUXFWNOVAEWTO-BYYHNAKLSA-N	522.075	6.351	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1C	150383837	XMDVESPSLUGQGA-RGVLZGJSSA-N	634.255	6.637	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)c1C#N	150404136	MSRZKMLOBRRFLX-VYVUJPJFSA-N	708.276	5.080	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	150427418	YKGBTGGLWQKERT-PPDIBHTLSA-N	753.998	6.693	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	150434094	LQZJYWUXBWEHRM-ZHQYQSJASA-N	649.552	8.293	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(Br)cc2)cc1	162446847	GCPVUVOBNHSWKA-KBVAKVRCSA-N	658.416	6.273	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	164742123	VZCPMLLFHMMQPP-SXGWCWSVSA-N	624.218	6.639	50	40	KKGB	
Br[C@@H](CC[C@@H](Br)[C@@H](Br)c1ccccc1)[C@@H](Br)c1ccccc1	226337412	DULGBCUTCPPZQP-MHORFTMASA-N	553.958	7.566	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br)Nc1cc(Cl)ccc1Cl	226384581	LEPONHGAQRNSAC-MPMZRXFNSA-N	581.132	5.270	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)ccc1OCc1ccccc1	408541129	XYEDCHHVMHVOIN-ZMOGYAJESA-N	561.421	8.132	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc(Cl)c(Cl)c1	408585768	IEMKVTBEVKZTEV-JMIUGGIZSA-N	682.126	8.999	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	408684911	PVHLNOPQSFYQLO-XNMGPUDCSA-N	652.295	7.154	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408725946	NIQQVNJHJBOBCF-NDENLUEZSA-N	536.382	6.053	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)ccc1OCc1cccc(Cl)c1	408728274	YXTSHHHGFYTZKU-FMFFXOCNSA-N	592.117	6.048	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(I)c2)c1	408746626	UGQCMAOEXLTMLT-BKUYFWCQSA-N	538.385	6.123	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2I)c1	408747660	RDNJOILYYTXZKT-ZDLGFXPLSA-N	652.124	7.249	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408761061	HDARPXGCYKBBMB-RQZCQDPDSA-N	546.646	6.990	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccccc1	408775762	JQHZZCIBTGGYEE-MOSHPQCFSA-N	553.400	5.490	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408780120	SQWCHSCHSKHMEP-UZWMFBFFSA-N	545.627	6.047	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1	408784195	ULVUYRSTOGOWMG-OVVQPSECSA-N	504.439	5.346	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1C	408787455	AIVRAFHUSMBHNY-YDZHTSKRSA-N	590.315	8.106	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2I)c1	408787530	BIKANUDQCUWLAU-VCHYOVAHSA-N	563.222	7.031	50	40	KKGB	
N#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I	408790366	VVSWHXKONGERBD-WUXMJOGZSA-N	542.558	5.155	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(Br)cc1	408792658	BUAGWBBCHYZDHA-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(C)c(C)c1	408800606	QEDBICDAUNUQHY-CIAFOILYSA-N	538.385	6.041	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408808911	GKEAGMULDFRZKC-LPYMAVHISA-N	535.438	6.598	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408815782	UZLJVSYZFISTLV-QNKHSMSSSA-N	677.437	7.214	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408827634	FLKZGYCZYHJCDE-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408832305	XVQQCVLTDNHYIH-XJECJHNESA-N	737.525	7.719	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408832787	JFKZGEDTPWOACD-MTDXEUNCSA-N	623.536	9.249	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408833817	ZCZUTIXREBATEP-NDZAJKAJSA-N	541.073	5.022	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839424	RYPCBVQFHZOCIA-ATZGPIRCSA-N	664.956	8.155	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cccc(Br)c2)cc1	408857990	ICJPLFGLBILGCJ-KBVAKVRCSA-N	658.416	6.273	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408858104	JQWKXZWCYASCGA-FJEPWZHXSA-N	617.467	5.824	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cc(Cl)ccc2C)cc1	408861456	ASZAVTWTRLJZEZ-VTNSRFBWSA-N	627.992	6.472	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408863551	SQUFELDFYKDGMU-UXHLAJHPSA-N	558.100	5.490	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408875973	IGTZUOCBBFRDSL-KULFSUQXSA-N	719.485	7.614	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408877204	SUBPLLQUJBFVTL-CVKSISIWSA-N	516.233	5.874	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408880028	GQZYGHKVLOLRGH-FYJGNVAPSA-N	525.026	5.977	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cc(C)cc(C)c2)cc1	408881495	MOKWHWDJDFHLNE-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	408887836	ROUMRNQFANHVCH-SFQUDFHCSA-N	515.780	6.810	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccccc1C	408888194	XUGWJXRSEBIIQE-XZYGTATASA-N	609.605	7.729	50	40	KKGB	
COc1ccc(-c2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)o2)c([N+](=O)[O-])c1	408896606	ORZCAWWBJNYZFY-OCSSWDANSA-N	521.614	6.247	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408934992	DZMFANFUQGWUQC-HNSNBQBZSA-N	592.117	5.577	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(OC)c1	408949131	QMWZQOYCSWMHNX-MUUNZHRXSA-N	793.478	5.526	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccc(Br)cc1	408956937	RVLLCGFKGXBYGH-QKRNDYIXSA-N	735.632	5.884	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2Cl)c(OC)c1	408957637	VHWGNNHTJINACK-FAQSDZBQSA-N	641.508	5.301	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c(OC)c1	408957642	VIBUTRJZOQXKGC-FEFDWTNPSA-N	641.508	5.301	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Br)cc1	408962921	LCOWLEQVTDSVJP-VVEOGCPPSA-N	600.229	6.972	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408963325	NAPRSQQREPUGLW-XKJRVUDJSA-N	598.315	5.360	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1cccc(C(F)(F)F)c1	408965311	VOMVIOJRLKRGIK-HIWRWHBISA-N	517.334	7.508	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2Br)cc1	408970221	CVZAEKIQKZEVKV-YXIFZSOPSA-N	683.430	7.288	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCCOc1ccc(Br)cc1	408972183	NDSNDRURDWGVBI-PDGQHHTCSA-N	529.774	6.541	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1	409010571	CDJSQDDPHHZZHW-SFSOYJNDSA-N	618.315	5.303	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409024662	MNPLNQVOYVDQRY-WKULSOCRSA-N	562.862	6.252	50	40	KKGB	
Cc1ccc2c(c1)c(/C=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)c(C)n2Cc1ccc(Cl)cc1	409037710	YMOXLKJSGXMYNA-QJOVZPHJSA-N	543.070	7.939	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	409045507	YVWDPBDIFYETIZ-LDADJPATSA-N	508.347	5.460	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1cccc(F)c1	409053510	YYSHZZJDXJGLAC-KKMKTNMSSA-N	505.771	5.902	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2cccc(Cl)c2)cc1	409129936	SUTPBJICEZBOSC-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409148319	YGGUIVRWXNKPQD-QFIPXVFZSA-N	563.279	6.073	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1cccc2ccccc12	409181416	CFRWMLSDNDCHAY-QWQZWDJFSA-N	592.611	5.715	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1cccc2ccccc12	409188260	XYDBDJNRWDPTDL-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc5c(c4)OCO5)c(OCC)c3)cc2c1	409190663	UUOGNANGZXFLDN-CPDSRJINSA-N	581.419	6.064	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1	409191046	ZCURFXVHAPUZME-LDADJPATSA-N	565.442	6.877	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409217837	XGNIUWBDIDCDJE-WQRHYEAKSA-N	516.722	6.496	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409224443	KDVAOHRESDHUFX-UHFFFAOYSA-N	597.624	5.265	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1cccc(C(=O)O)c1	409226339	NALMLXSYJALAJA-MTEVNVADSA-N	535.394	5.519	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CCc5ccccc5)(c5ccccc54)[C@H]3C2=O)cc1	409227674	ZOKBARCHQSHRDW-KEYUSNQHSA-N	583.688	5.761	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OCC)c3)c2)cc1OCC	409227930	XOSLPELNXIRETP-UHFFFAOYSA-N	640.649	6.026	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1	409255154	KONNBWVZMBCNLS-YBFXNURJSA-N	572.381	6.648	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409258027	STIQODMHNUUANC-UDWIEESQSA-N	582.882	6.681	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)ccc1OCc1ccccc1	409271255	SZWFYTOBUULHOS-WBIBEUCMSA-N	660.565	6.834	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccccc3Cl)c2)ccc1OCc1ccccc1	409326756	NQRHFLUNCRXZPI-MZFJOGFUSA-N	515.009	6.661	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409371194	CUWSQSXKRQCOPU-IUXPMGMMSA-N	534.193	7.316	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1Cl	409372196	UATYDLWUCGRWON-LSCVHKIXSA-N	595.220	7.548	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1cccc2ccccc12	409374411	OTWPVQMTIOLIDT-XKZIYDEJSA-N	524.418	7.439	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccccc1Cl	409374549	SPDBFTHTTMYTTH-ODLFYWEKSA-N	569.830	7.171	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(I)c1OCc1ccccc1	409383999	URGOAKUHNQBYFQ-JFLMPSFJSA-N	560.388	5.050	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409384923	GKNJTEMMIMDIQE-KVSWJAHQSA-N	601.410	5.501	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc(Br)cc1	409394551	CCSALNAIRLSIHH-UHFFFAOYSA-N	667.357	8.496	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397573	LKCJNTLZJGHIFR-UHFFFAOYSA-N	639.064	6.377	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(C)=O	409397680	MRMIFPQNTPKUGN-UHFFFAOYSA-N	615.564	6.771	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)c(-c3ccccc3)c2c1	409398894	WGFANDMNSWWAHL-UHFFFAOYSA-N	609.635	5.861	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)o2)cc1	409400023	BAIZERSZQHXPAO-QMRORBIVSA-N	633.488	7.824	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c3ccccc32)c1	409401871	ILCSXEKNXADQLA-QJOVZPHJSA-N	556.666	7.341	50	40	KKGB	
CC[C@H](C)Oc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	409403589	NMFUDYRYLVPBPR-NRFANRHFSA-N	594.506	6.978	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	2245175	YCCMXQKKKKEGJN-HGLWPWQMSA-N	536.679	7.084	50	40	KKGB	
CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC	2799249	NOYJUZKVRWCLDD-HSZRJFAPSA-N	543.421	5.927	50	40	KKGB	
CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc(Br)ccc1OC	3175197	IDKHJMNWSHQNMZ-YBNTXHARSA-N	520.221	5.681	50	40	KKGB	
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1	8385802	JYZNDQLCHFXCEM-OQRGGLAWSA-N	561.601	7.083	50	40	KKGB	biogenic,in-vitro
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1cccs1	8443104	XTPLFUIDIMGIPG-HXUWFJFHSA-N	506.634	5.160	50	40	KKGB	
COc1cccc(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)c1OC	8657483	GWKKQTDGWRERCI-ALQBTCKLSA-N	552.030	6.769	50	40	KKGB	
C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(CC)cc3)cs2)c(C(=O)OCC)c1C	9453286	ZJEHLOJQTKPCFI-RGEXLXHISA-N	507.637	6.239	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(Cl)cc1	13689515	LQJYWHNNRFDYBL-MWLSYYOVSA-N	523.083	5.612	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1C#N	20195280	STASUASPYPHJNN-OKCVXOCRSA-N	520.427	5.608	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CSCc2cccc(Cl)c2)c1C	20243667	VYMWCONCKRKGKL-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1C	20243763	AEQXDOBIORQCDF-WFMQBCDOSA-N	518.908	6.758	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	22829158	XCIGCKRWMVLOQA-LICLKQGHSA-N	505.328	5.885	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl	33718288	ZBZXSVHVPOCIAQ-KBVAKVRCSA-N	507.417	6.817	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OCc1cccc2ccccc12	35494357	YSHDKZNMPRSHFD-RHANQZHGSA-N	503.396	5.883	50	40	KKGB	
CCOC(=O)c1c(-c2ccccc2)[nH]c(/C=C(\C#N)C(=O)OC(C)C)c1Cc1ccc(Cl)c(Cl)c1	36635925	BOWNBWKISOZDIW-XMHGGMMESA-N	511.405	6.615	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1	60028474	OGZABAXHWOGWPQ-FPZRGFMPSA-N	582.660	6.046	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O[P@@](=O)(O)OCCBr	72399507	NNGFCHRQPORIQK-UHFFFAOYSA-N	579.469	7.905	50	40	KKGB	in-vitro
OC(C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	97957387	NBCWIPCTIOAIKH-GSVOUGTGSA-N	554.031	5.894	50	40	KKGB	
CCOc1cc(C(=O)N/N=C/c2ccc(OC)c(CSc3nc(C(F)(F)F)cc(-c4ccccc4)c3C#N)c2)cc(OCC)c1OCC	97965869	ODRNPBDUZPRNGM-KPRPFPDJSA-N	678.733	7.900	50	40	KKGB	
O=C(N/N=C/c1c[nH]nc1-c1ccc(Br)cc1)c1sc2cccc(Br)c2c1Cl	97965879	MWFDGPVUNRXEQH-PGGKNCGUSA-N	538.652	6.234	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)NC(C)=C1C(=O)Nc1ccccc1	98000003	AVADHHDQOVNQDZ-MUUNZHRXSA-N	559.091	6.445	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])N1	98000123	NSFRFDLHUOHMJJ-HHHXNRCGSA-N	575.046	6.059	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1	100118392	AAJATFYUYDHASU-HPNXWYHWSA-N	611.167	7.215	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccc2c(c1)OCO2	100935159	AAVHDAGBXWGPFM-BOWQLVFLSA-N	576.008	5.035	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)nc3sc4c(c3c2=O)CCCC4)cc1	100973844	CZRGELABQKCENB-XAZZYMPDSA-N	556.635	5.896	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccc(F)cc2)N1	102073489	CKOODMVSAJJNAO-MHZLTWQESA-N	532.040	6.738	50	40	KKGB	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(C)n1-c1ccc(OC(F)F)cc1	102988507	HHESJOIZKJPAMG-UYRXBGFRSA-N	547.543	6.335	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528738	CBYUDQGCKMIVEC-QFIPXVFZSA-N	604.517	11.445	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCc1cccc2ccccc12	103857744	UBLUCDWMRLKFAR-VULFUBBASA-N	542.398	5.857	50	40	KKGB	
CCN(CC)C(=O)C12C[C@@H]3C[C@H](C1)CC(P(=O)(Cl)C14C[C@@H]5C[C@H](CC(C(=O)N(CC)CC)(C5)C1)C4)(C3)C2	105588840	SJTXNEPPGHDOAF-STFIFSFOSA-N	551.152	6.918	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC3=C2C(=O)CCC3)cc(OC)c1OC	106098758	LDQKAWGZMUXYGO-HSZRJFAPSA-N	574.486	5.820	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341947	YYFZNFMYCTWLPQ-JOCHJYFZSA-N	704.531	12.715	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	150366110	ZLNIYNSPFXRNKC-GUBAARJWSA-N	640.161	7.087	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1cc(Br)cc(Br)c1O	150412126	XZAJIBOHPIVTLD-LUOAPIJWSA-N	667.181	5.565	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1	197829305	IEBPIFZMFHMGDS-FABQOPTDSA-N	637.080	5.096	50	40	KKGB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@]2(C[C@@H](Br)Cc1ccccc1)[C@]1(C[C@H](Br)Cc2ccccc2)C(=O)[C@]2(C)CC[C@H]1C2(C)C	245239032	DSLHNLQYIWSSJN-DJRHSJAKSA-N	696.608	9.802	50	40	KKGB	
C[C@H](CCC(=O)N/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253497751	IDKDEJKAOLGAAX-VNXDONTASA-N	604.619	6.173	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408539445	HSYXGLDKNFNWHV-MZFJOGFUSA-N	515.009	6.661	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539455	WIKQWBGGENNATE-ONUIUJJFSA-N	569.057	7.451	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408612614	WEAJBCRGNKTIJE-OKCVXOCRSA-N	542.419	5.625	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	408657109	UBIDWKPIWJKRQE-WFXMLNOXSA-N	556.273	6.060	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1-c1ccc(-c2ccccc2)cc1	408724856	MFWGJUPBNQGDGB-AJBULDERSA-N	501.546	6.187	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc2c(c1)OCO2	408743848	VROWRNBQJRHLPB-NVMNQCDNSA-N	554.340	5.153	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408744857	NRACTEYJWZXEFZ-BOPFTXTBSA-N	591.097	7.099	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408747146	JODGZBGEXNWHJI-SXGWCWSVSA-N	536.640	7.534	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408755487	NYWVIBLPQSQVFE-PXNMLYILSA-N	564.636	7.129	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(Br)c1	408761179	CRFHPYUBWLIDIW-PDGQHHTCSA-N	512.201	6.336	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Br)cc1Br	408775805	UYEAXXDXLGNSGT-ODLFYWEKSA-N	556.254	6.653	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)cc1	408793777	GPSOPKQRYKIESM-YBFXNURJSA-N	539.357	5.508	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408794446	JDWOOGBDFDGBLY-CVKSISIWSA-N	511.021	7.633	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC	408808947	HCDCDZNKEUSYPU-GATIEOLUSA-N	568.218	5.062	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc(Br)cc1	408815572	HZABABPSANZNQI-KKMKTNMSSA-N	501.211	6.523	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1cccc(F)c1	408842171	NDQUBSLMFOWXMB-IIHBXENTSA-N	593.002	6.978	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5cccc(C)c5)c(I)c4)cc3)cs2)cc1	408846481	SOUINGCBNCAWCR-XJECJHNESA-N	737.461	8.881	50	40	KKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1	408847462	MNDBZLONWGLQDW-VYYCAZPPSA-N	508.372	5.543	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408852825	IVRBUOJTQLQDEH-NHDPSOOVSA-N	670.301	6.078	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cc(Cl)ccc2C)cc1	408862334	YCGBFFIPGDNEIW-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Cc1cccc(F)c1	408868979	QIMFJBIKAMXYOF-RGVLZGJSSA-N	540.376	6.274	50	40	KKGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	408872888	KRJSGHNPYFTZQX-SDUFAILWSA-N	594.289	6.524	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408887248	NETCRGNPJLYIGU-NTEUORMPSA-N	529.292	6.156	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(F)cc1	408922003	DEZRQKMDCAZPJY-LUOAPIJWSA-N	573.189	6.089	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1Cl	408938913	APGIHIYDSSIIJJ-HHHXNRCGSA-N	661.995	6.111	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(I)cc1	408943487	HPKSZCQWTUGDBA-YTTGMZPUSA-N	768.674	5.882	50	40	KKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408956246	ZFENLWCKBNNIHK-SFNZXDEDSA-N	516.041	7.056	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408962152	GYYRGYCPWFCFGK-KLPHOBTLSA-N	545.772	7.407	50	40	KKGB	
COc1ccc(Cl)cc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408974430	ZAXWPOABLDVSNM-GFNSVBDRSA-N	548.854	5.301	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408978103	HACHIKGABCHLTK-PMOPRMPASA-N	590.507	6.983	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccc(Cl)cc5)cc4s3)c([N+](=O)[O-])c2)c1	408989808	IYKMRVXAYRTMPC-HYARGMPZSA-N	640.146	8.424	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC	409006650	QNWRWTLZHFMCFR-CPFMGUBWSA-N	637.645	5.273	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409006901	SDRKJANRCDLAKC-QQMURXAZSA-N	565.538	5.205	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1ccc(Cl)cc1	409022805	TVWZFTQKNWOWJB-DBFSUHOCSA-N	609.247	7.086	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409025950	BNOXIDPYFBESTF-FMFFXOCNSA-N	604.729	5.164	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12	409037320	MXSYHBUDRQMUGS-YRWAOHLSSA-N	581.459	5.542	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1cccc(Cl)c1	409051040	HDENPBOEFHMWEQ-XODNFHPESA-N	583.253	6.648	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCc1cccc(F)c1	409075394	YDTQHCOGGHATRH-BUVRLJJBSA-N	514.553	5.864	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409086227	UUWQRSOUSAUBDL-WOJGMQOQSA-N	534.912	6.231	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)cc1	409131802	YAAIOXPCMZNYCY-ZCTHSVRISA-N	548.064	5.816	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409223235	GFEGTRWUSMXPIY-UHFFFAOYSA-N	631.395	5.321	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1	409223504	IDNBROKSLBQCLS-LICLKQGHSA-N	558.805	5.997	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409227044	XFHUIILHBXLEJU-UHFFFAOYSA-N	577.380	6.137	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1	409227913	XHPWVWCGTIAVSN-UHFFFAOYSA-N	572.415	5.693	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409251572	PRQQDEBFRZKIFH-BKUYFWCQSA-N	534.012	5.927	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1Cl	409260775	WFTWLKSORVVUMV-KMUKQRDJSA-N	626.138	7.387	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409263532	HLVFLLQSOOQOOK-GRSHGNNSSA-N	568.855	6.291	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccccc1Cl	409265343	UHSMYKIVMIHTBL-FEYQCKCBSA-N	506.002	5.048	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409268328	SGHNVPKUVSJZQS-OCSSWDANSA-N	615.468	6.167	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1	409320112	PBSLYZVUDYFIMW-DHIUTWEWSA-N	537.435	5.282	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1OCC	409320230	PPVLLIFSKPLPBL-UHBFCERESA-N	557.416	5.903	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409364647	QSUUSYAOVQHZMV-MHWRWJLKSA-N	605.791	5.655	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1F	409383588	XONYQHZZJMGINV-PDGQHHTCSA-N	508.347	5.460	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397992	PYZIMBSCAAEOIK-UHFFFAOYSA-N	675.783	9.484	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398527	UHBQNYMCQJJEOU-UHFFFAOYSA-N	677.895	7.159	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4C#N)c([N+](=O)[O-])c3)o2)cc1	409400612	DUAHCKSJWPBLEV-VHFSBPNMSA-N	624.053	7.042	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4ccc5c(c4)OCO5)ccc4ccccc34)o2)cc1	409400779	FIYVXEVDVJLYPK-KWQVAVEISA-N	613.670	7.491	50	40	KKGB	
CC(=O)n1c(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409400989	FWIXYNPJZHJLCW-LJUMEUDFSA-N	508.578	5.953	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(OCc2cccc(Cl)c2)c(OCC)c1	1529549152	SYGYCLKVSHJBSI-CPUSLWFJSA-N	637.158	5.203	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1cccc(C(=O)O)c1	1531386381	JQBAUPJTTQXNIP-KMUKQRDJSA-N	593.636	6.316	50	40	KKGB	
CC(C)[C@H]1N=C(c2ccccc2P(c2ccccc2)c2ccccc2)OC1(c1ccccc1)c1ccccc1	1988182120	RRGPMBMUVBEOEQ-UUWRZZSWSA-N	525.632	7.190	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1	1745661	LDLFHSXPFOSDFF-DHRITJCHSA-N	510.666	5.243	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1	1790158	VBTKEAZJMGCWOW-IVYNLYIOSA-N	591.289	6.960	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1	1888968	RXIZPUGXHCUJJP-MZOFLMDJSA-N	540.447	5.918	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cccc(Cl)c1Cl	2088654	GLSLAQAHCFPKJA-UVHMKAGCSA-N	540.856	5.142	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	2188770	FJMCYPCBPCBSLT-NRFANRHFSA-N	507.681	5.806	50	40	KKGB	
COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl	2312151	NNRWDCFGNCIZII-VQTJNVASSA-N	504.395	5.252	50	40	KKGB	
ICCN(CCI)c1ccc2c(ccc3ccccc32)c1	5437267	RIVWVTKKMGITMD-UHFFFAOYSA-N	501.149	5.669	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OCCOc1ccccc1C	9348731	ZHYBPUWOLWDYGJ-CJLVFECKSA-N	512.591	5.629	50	40	KKGB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1C	27018604	WPIALHCRDKZXJO-LYBHJNIJSA-N	506.606	6.581	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	33354395	NGZFAACJWUOIIG-IMUCOVGGSA-N	545.093	5.638	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccc(C)cc1	33958094	BTJYTQHYNOPCMS-STBIYBPSSA-N	518.411	5.900	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1cccc2ccccc12	58993014	YRUHXPNWSFXYOH-QRVIBDJDSA-N	526.976	6.715	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)ccc1Br	59336343	NYWMMHGKSKLPJK-BOPFTXTBSA-N	503.227	7.018	50	40	KKGB	
CCCCCCCCCCCCCCCCOc1ccc(C(=O)NNC(=O)C2CCC(c3ccccc3)CC2)cc1	98000395	NDLBIZLEUIFRHG-UHFFFAOYSA-N	562.839	9.282	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126158	ONXNTDSTHNFQJP-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126413	YLUBZNQVNWHTOE-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	100142235	USXXPUIUWZQWOM-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1	100228451	NXCWWJCJOWHAFD-BKUYFWCQSA-N	538.385	6.123	50	40	KKGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1C#N	100277452	SGWNIDJDMMBEJT-ZSNJKBEMSA-N	600.635	5.970	50	40	KKGB	
Cc1cc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c(C)cc1Br	100395021	NMRCQAZVYBNJKU-LOXXWQLCSA-N	619.192	5.343	50	40	KKGB	
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	100451487	GQZLZKYIBVUTLZ-NGQJREMFSA-N	544.611	6.683	50	40	KKGB	
Cc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(Sc3nc4ccccc4s3)o2)cc1	101412787	XWQDDMDTFLGIPB-UHFFFAOYSA-N	585.714	8.030	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C(C)N1	101555405	MEJHBQZOBOKDLO-LJAQVGFWSA-N	558.103	6.714	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2Cl)N1	102810089	MRTCYIIWORONSZ-SANMLTNESA-N	533.028	6.186	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	102933068	VWDUVDQSGNWRPB-LDADJPATSA-N	576.790	6.929	50	40	KKGB	
CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528205	ZERJLZPYXTYCKD-SNVBAGLBSA-N	536.207	8.034	50	40	KKGB	
CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)COc3ccc(Cl)cc3)c3cc(Br)ccc32)C1	103861932	HFLOZBHUTHHYSO-QTNYESAQSA-N	573.919	5.207	50	40	KKGB	
CC[C@H](Cl)COP(=O)(OC[C@H](Cl)CC)/C(C)=C(/C)OP(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161322	UTGSMHSGIYXBKS-INYVPDKISA-N	594.277	8.692	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1ccco1	112254510	PMSXTRUNGSVJNO-OHXIEAONSA-N	537.575	5.399	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3cccnc3)c3ccccc32)cc1Cl	112255766	JLBRYZYRAOBCST-AXBAISPRSA-N	547.014	5.010	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C/c1ccc(F)cc1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118917120	LYGIRJHOSGMNLO-OAAYRSQISA-N	512.710	5.683	50	40	KKGB	
CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341423	GVGXYDOSBRCEMM-SNVBAGLBSA-N	636.221	9.305	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539707	YDAIFYZDIYIUAU-MFKUBSTISA-N	631.498	7.699	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccc(C#N)cc1	408541724	CYOYJAMFXIYCMM-UFFVCSGVSA-N	513.395	6.466	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1cccc(F)c1	408555894	ZMUIVQGZRCXPDA-YBFXNURJSA-N	580.479	6.924	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccccc1F	408567060	CPOVMXVGVFOLLG-IPPBACCNSA-N	591.524	6.184	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408604951	JGSOBYIDRQQEMR-LJQANCHMSA-N	528.436	5.640	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(F)cc1	408710784	KFWJCHFLAGSDBG-YPXUMCKCSA-N	575.059	7.000	50	40	KKGB	
COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I	408734937	LRMUIMNMRIJWHD-LFYBBSHMSA-N	578.575	5.412	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408764401	RRFBGVSCMVSRAE-MOSHPQCFSA-N	602.450	5.620	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(I)cc1	408775065	YLKATRCPCZRNIB-MFOYZWKCSA-N	524.786	5.354	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1	408790091	NLFMKSVNZWMNTA-UDWIEESQSA-N	580.391	5.667	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1C	408794160	IADDGJCFMDRPBH-VXLYETTFSA-N	577.249	7.340	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408794227	IOYRIOQIGPBVAK-GIDUJCDVSA-N	720.088	7.235	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408796877	QGSNZYKOKNHTJW-OEAKJJBVSA-N	574.420	7.605	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408798274	VUYINRHCFSFESV-UDWIEESQSA-N	618.311	7.456	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1cccc(F)c1	408808320	DYUKWAZNTWTKIX-QRVIBDJDSA-N	535.413	6.128	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408819163	YJZBPIJGOFQLOB-KKJJZKEWSA-N	617.281	6.426	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408821186	DJDUDJYKYPRGFB-RDRPBHBLSA-N	694.569	8.774	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408823025	DDXWIBOFIFXAAB-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1OC	408828424	DXKHWMKZWCVVTL-HZQMBONKSA-N	765.310	5.725	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408839296	QGQUFKNHBZNQNU-OKCVXOCRSA-N	531.037	6.300	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(Cc3ccccc3C#N)c3ccccc23)cc1	408843107	DHDSFBRQICDUAI-GKVNEZTPSA-N	533.635	7.091	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408853302	QYFDQABSXKXHGC-VYVUJPJFSA-N	696.017	7.728	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(I)c1	408879932	HWWQNMRNWVXROI-LICLKQGHSA-N	549.195	6.723	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cc(C)cc(C)c1	408881751	MNJDSDVSYGKBDB-KEBDBYFISA-N	583.382	5.950	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922850	GVOLVIQQHNELLP-RQZCQDPDSA-N	560.415	5.274	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccccc2F)c(OC)c1	408948703	DDVVNWYGQIEICK-VVYBVRPNSA-N	842.400	5.343	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1	408949031	QGBDRCDDVPSNDG-MHZLTWQESA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408952036	UZEWZSKDCQGOFD-MHZLTWQESA-N	879.342	6.667	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408962650	IXKLEPGRZNHDPX-KVAAJVFYSA-N	564.633	7.069	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1C#N	408973151	ZFZBUYJEUHKHEY-NZKNEULUSA-N	737.422	6.506	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccccc1Cl	408982453	HBMDJNDFPGODBM-YBFXNURJSA-N	607.275	7.430	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408996907	FKTYXBREKTWBIW-NCAUGAEKSA-N	603.094	6.576	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409023952	OFAYVWZTEGHNCL-KYMQWJLESA-N	538.214	7.398	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(Br)cc1	409029619	BBMWWMXRWINAJF-FABQOPTDSA-N	692.351	7.620	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409038959	WGDZEBGMXVNWDI-FZKWRIDDSA-N	672.479	7.156	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)c1	409042811	CUXJAMIBTVYGFA-WOJGMQOQSA-N	558.354	6.340	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)C(=O)Nc1ccccc1Cl	409046213	JPBNFLORVGZESS-CXUHLZMHSA-N	564.636	7.129	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409081277	PIUNKEDJEYTXKL-LUOAPIJWSA-N	580.660	5.866	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1)S(C)(=O)=O	409118493	NOUMQFTWZPJTHK-FDAWAROLSA-N	593.547	5.895	50	40	KKGB	
Cc1[nH]nc2c1[C@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	409149240	ZOCOFTZEZSQAPZ-LJQANCHMSA-N	506.187	5.585	50	40	KKGB	
Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c(C)c1	409163319	POQHVOROCUDPBX-MHDJOFBISA-N	593.522	5.282	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409221758	ASHATZDTGCGPIG-UHFFFAOYSA-N	759.065	9.061	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409226443	WFWSTGKKYHATBS-CIXMRZNASA-N	647.471	6.935	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409234671	OVAFPYHQUAXVQV-BYINCCNUSA-N	621.302	7.360	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1	409252567	CJIVCMFIMWIOHO-MTJSOVHGSA-N	639.446	5.266	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1	409263417	MQHNFMGDFDHDKC-KULFSUQXSA-N	689.035	8.368	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OCC	409302558	JHHUBPQLXYVZMQ-LJUMEUDFSA-N	554.043	5.626	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC(=O)C[C@H]1c1cccc(Br)c1	409313664	CPWZNGGXMXGOAK-INIZCTEOSA-N	510.335	5.178	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)ccc1OCc1ccccc1	409316817	RBBCXWKCTQYRJL-DXJNIWACSA-N	525.561	5.915	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccccc1	409319810	MFLZLVULFMKKKC-APTWKGOFSA-N	528.580	6.155	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1OCC	409323133	NOWZMMIVUREEEH-MWLSYYOVSA-N	654.377	6.239	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)ccc1OCc1ccccc1	409332004	FNYWGLOISCFKHF-KYHGBAKBSA-N	535.427	6.924	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(I)c1OCc1ccccc1Cl	409366616	XCYDTRHUQBIDKC-FDVSRXAVSA-N	606.844	5.386	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccccc1Cl	409372201	CXKHUYATMTUYQJ-ODLFYWEKSA-N	522.830	7.329	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1cccc(C)c1	409374320	MHTCBXCTPOCOOE-MTJSOVHGSA-N	549.412	6.826	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccccc1	409374401	OQMSLKCCTSZUHT-WOJGMQOQSA-N	507.331	5.819	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409393564	YNYSOHYPDYLIJD-FZPRHHONSA-N	598.324	7.626	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(OC(C)=O)c(OC)c3)c(-c3ccccc3)c2c1	409394835	GMOVNZGFRTZBHD-UHFFFAOYSA-N	749.412	7.676	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409395538	OWASBUUXMJSURB-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)cc1	409396641	ZPMKTPIGPGKLFM-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409396766	AXRQJACUIMTVMY-UHFFFAOYSA-N	539.544	5.437	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397845	OPDKKBDJXACOJT-UHFFFAOYSA-N	685.789	8.939	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409398181	RONOPGPJNNLMQO-UHFFFAOYSA-N	604.062	7.642	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1O[C@@H](C)CC	409403870	OIYLFYAXULEVBF-APRMSGGFSA-N	529.637	6.606	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(Br)c3)o2)cc1	409404264	PPXWGVFZRIVYMD-RODHXAHZSA-N	676.951	7.723	50	40	KKGB	
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCCCCCCCCCCCC	504626971	FSIDKIWIEOGHHZ-ZLYINGHASA-N	639.446	12.755	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	704101	IZLAFSURACTZAS-NDEPHWFRSA-N	560.075	6.308	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1	1906197	QWUWPYQBFIAZRQ-XSFVSMFZSA-N	514.478	7.545	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1	2698891	FCHHOCFRPOPXED-OKCVXOCRSA-N	573.476	5.496	50	40	KKGB	
C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1ccccc1F	2740426	ASSOGTWNHSLILR-AMBXXVILSA-N	524.625	5.803	50	40	KKGB	
Cc1cc(C(=O)N/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c(C)n1-c1ccc(F)cc1	3268991	GRZZAAQZWBXWTK-HPNXWYHWSA-N	526.615	7.608	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	6444315	VFCLOXDFLWUGRR-VWLOTQADSA-N	518.639	5.902	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc(Cl)cc1	8922114	VSZYQVRAKFAYDE-YUMHPJSZSA-N	502.471	6.390	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1	10475932	FLJXAKIODDVLKW-JFLMPSFJSA-N	501.808	5.773	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)NNC(=S)Nc3ccc(Cl)cc3)n2C2CCCCC2)cc1	16311296	BHHXCUZBMPDRHQ-UHFFFAOYSA-N	515.108	5.522	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccc(Cl)cc1Cl	30742618	VDNFHNHGNSDXPQ-UYOCIXKTSA-N	503.889	6.033	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1cccc2ccccc12	59104315	WVIKOCBYFFCETI-ONUIUJJFSA-N	501.586	6.175	50	40	KKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)cc1	59222205	MOBKLTDAMQIWGA-TYSXVFSCSA-N	525.399	5.488	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccccc2)cc1	59858363	JBQYPARZVARQHF-QCFMCPCVSA-N	593.705	6.163	50	40	KKGB	
O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C\c1cc(I)c(O)c(I)c1	97940122	NOZNPJQUAPDSEN-APTWKGOFSA-N	711.341	7.431	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100127143	RHMLNBNROIKLRE-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccccc1Cl	100226521	ZHHDWRGNYALKIQ-KKMKTNMSSA-N	578.790	5.415	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(Cl)c1Cl	100403465	APXRHMWPSIDFNW-JFLMPSFJSA-N	569.308	5.140	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1	100891817	KIOICZFXGIZPIR-WTALZMIHSA-N	538.854	6.167	50	40	KKGB	
C[C@H]1[C@H](c2ccccc2)[C@](C(=O)c2ccccc2)(c2ccccc2)OP1(c1ccccc1)(c1ccccc1)c1ccccc1	101011007	MVTYKNSHIPSGHL-UXYLJNPESA-N	590.703	8.412	50	40	KKGB	
O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1ccc(COc2ccccc2-c2ccccc2)cc1	103041838	CCYLOBOLICGBPF-UHFFFAOYSA-N	617.727	5.754	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c1	103860961	TZIBXYGLHGIYGV-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(Cl)cc1	105586251	HUTFOULYZYRRPH-DPNNOFEESA-N	565.522	8.027	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	150485706	FEZLZAFROMPYHF-KPGMTVGESA-N	660.536	5.672	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1cccc([N+](=O)[O-])c1)N2	245232640	ZAWQUPRDFTZIQP-NCIBMYPZSA-N	561.041	5.189	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)ccc1OCc1ccccc1	408540250	PCNNQQYYIMUUKW-PTZDRTPLSA-N	725.636	8.366	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2Br)cc1	408544864	YBALDMAHCGSIQJ-ODLFYWEKSA-N	534.366	5.019	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	408552237	PNBBSGQDAGTHPZ-NKHVPTTDSA-N	734.374	6.976	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408555307	WZHLSKGYFRMZML-YVLHZVERSA-N	559.247	6.628	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408569905	QXNXLCQMBDSKGI-WKULSOCRSA-N	679.558	6.185	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	408570340	UFCFJRJWCOPBOD-KPGMTVGESA-N	583.562	7.733	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	408711654	DBIRWQRFJYLDQL-MWLSYYOVSA-N	501.410	6.063	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3ccccc3N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1	408725326	FGGPEDFHLLJWMU-GTWSWNCMSA-N	527.646	5.304	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Br)cc1	408725951	OFSBZJPFSISRNI-MTJSOVHGSA-N	584.308	7.352	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408754334	QGCXTBAKLCLSEI-NHDPSOOVSA-N	641.157	8.252	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408764897	NQXFPKWCGBKEJT-IUXPMGMMSA-N	729.106	6.481	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)c(C)c1	408792424	BEEPATPDTWYEMI-ZMOGYAJESA-N	637.315	7.948	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408793089	NFYRAGSDHMLUFI-RQZCQDPDSA-N	719.144	7.726	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408811146	MBLBTEXVDLQVAT-JAIQZWGSSA-N	633.280	5.873	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408811958	MCDQEOYFDJSUIS-OJYCWLPVSA-N	643.379	8.321	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408830089	RCSKERZRGBDRQZ-PPOKSSTKSA-N	563.658	5.256	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	408830617	NHINENORLZNPNQ-ZHZULCJRSA-N	630.937	7.185	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408837889	AMFLJEJVOZQHLS-GKEHTTQRSA-N	737.857	8.715	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cc3)cs2)cc1	408840046	XFXWAWRSQOYDCE-DPNNOFEESA-N	540.733	7.927	50	40	KKGB	
COc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408840841	CFAJWVSBFBDMEY-XODNFHPESA-N	694.336	6.844	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1	408847495	NHILGEAIRDIRKI-MBTHVWNTSA-N	534.366	6.175	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCC(=O)OCC	408851907	BKZILPFAXYYCDP-VYYCAZPPSA-N	529.387	5.028	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccccc1	408856584	CPOONXCBCGSUSE-LQKURTRISA-N	552.996	5.162	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(Cl)cc2C)cc1	408860152	WIIZJPGTHLGGLZ-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1ccc(C(=O)O)cc1	408865435	CNHNCVIRPOZPMU-SSDVNMTOSA-N	595.446	5.366	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1cccc(F)c1	408865896	FEZLDHZTVCUGSD-UFFVCSGVSA-N	569.427	5.806	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(C)(=O)=O	408875031	HTPUWLBCLFNCPU-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408889871	KEHXNMXWKNCLIW-OVCLIPMQSA-N	516.724	6.320	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1Br	408890072	NIKDZMRNXYEHSA-WUXMJOGZSA-N	531.031	6.629	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)ccc1Br	408904738	NUTFDLXYYAXNJR-UHBFCERESA-N	511.423	7.069	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1F	408921605	BHIOXQHUUYCSFO-MZJWZYIUSA-N	501.352	5.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OS(=O)(=O)c1ccc(OC)cc1	408924873	PFFWHQLBLCIYGK-LICLKQGHSA-N	547.416	5.714	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1	408947596	NZERTXKEAHCJIK-GDLZYMKVSA-N	637.158	5.121	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408970759	DHEHIAYHEMFMPK-JKYDDCPPSA-N	733.874	7.642	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Br)c1OCc1ccccc1	408976663	BOHZSMFOXSBPDL-IADOGKPESA-N	636.568	5.905	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCC(C)C)c3ccccc23)c2ccccc2)cc1	408980944	UNBDCTBQFJOJJN-XIOXGIFKSA-N	543.689	5.743	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC(=O)OC	408985234	AJNPQXAMELPVIJ-MFOYZWKCSA-N	503.780	5.237	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1	409003830	VHHZFSWCPTWFOG-AJBULDERSA-N	507.546	5.321	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1O	409020534	QGACYTGBLVBTKE-GZIVZEMBSA-N	608.024	5.431	50	40	KKGB	
N#Cc1ccc(COc2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Br)cc1	409034006	GTQXRMUOMCFSPT-ALQBTCKLSA-N	561.439	6.879	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409043623	SGKOPADNWBHXPU-WUXMJOGZSA-N	518.127	6.175	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409086769	WSAOPCKOEMJYRF-RCCKNPSSSA-N	581.547	7.477	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1	409087363	CGPLFAQNDPGYBA-LZYBPNLTSA-N	527.320	6.765	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1ccc(Cl)cc1	409115904	IHRLWLLHTLCLDS-VTNSRFBWSA-N	597.068	5.003	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409122776	BNQPFSLSYPBRPB-VTNSRFBWSA-N	624.119	5.627	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3Cl)o2)c(Br)c1	409158549	OWNVIPRGRHWFNU-JHDYRUHQSA-N	530.850	5.966	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3cccc(C)c3)cc2c1	409190649	UNHYZTYGJPLPMB-MBTHVWNTSA-N	507.384	6.245	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1	409215820	BIRQKQGFPDSKMI-LUOAPIJWSA-N	542.257	6.716	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409218735	GPSYVLFTOJXPIU-CXUHLZMHSA-N	608.798	6.693	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409219537	RPLPNWHBKFLUSR-UHFFFAOYSA-N	662.095	6.009	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Br)cc2)cc1	409224308	KAYYZAHDYIAPAP-MBTHVWNTSA-N	567.396	5.325	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1ccccc1	409234735	XVWUHHLJKNFVHN-IWEBCOIVSA-N	577.249	6.961	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409247847	CZVPGVAVDBVYQB-YBFXNURJSA-N	597.409	5.185	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)c1	409263625	NESJRUMEOXTPRW-QDTIIGTASA-N	589.284	5.618	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)cc1C	409264932	LUZLRWUHEBUIGG-KULFSUQXSA-N	644.584	8.259	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409269159	GGRLWSMQHZUXJQ-GRSHGNNSSA-N	568.413	5.660	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCCC)c(OCC)c2)cc1OCC	409310106	QLIBSCODQZNZPM-QQXSKIMKSA-N	554.425	5.430	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)ccc1OCc1ccccc1	409321724	HEZZVVBRHJCKBG-FZPRHHONSA-N	575.017	5.977	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409358328	LGUVQSVEIVOSFX-KKMKTNMSSA-N	535.211	5.492	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(Br)cc1	409365926	PZEVSYRBDPXHDX-YPXUMCKCSA-N	635.965	7.624	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(Br)cc1	409374297	LTJYUPWXRXFITN-ODLFYWEKSA-N	614.281	7.280	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br	409385914	MJNAATHNEJIONJ-NUGSKGIGSA-N	585.230	5.040	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(I)cc4)c(OC)c3)[nH]c2c1	409391994	MNDCHNZSFWPSNO-WQRHYEAKSA-N	537.357	5.828	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCc1ccccc1Cl	409392457	PMRUIGZYUDTEKJ-KPGMTVGESA-N	566.883	6.796	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4cccc5ccccc45)c(Br)c3)[nH]c2c1	409393727	ZLXBJLRDSYHUSW-JAIQZWGSSA-N	589.287	7.893	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409395389	NBWGLLLXFJOIIG-UHFFFAOYSA-N	615.915	7.300	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)cc1	409396078	WBNSXFYFSQYNRY-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398322	SNEZPHCJQPXEIJ-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)c1	409398349	SRFCYZCFWDROAH-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409398554	UJCLCVGXLJGGFQ-UHFFFAOYSA-N	697.369	7.913	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)cc1OCC	409399321	ZKXDRHBUTOHPLM-UHFFFAOYSA-N	660.952	8.031	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccc(C(=O)OCC)cc1	1529548315	CJEDTIQIKQARND-SQTRLNBISA-N	739.645	5.098	50	40	KKGB	
C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@]2(C)[C@@H](/C(C)=C/C=C(\C)C(C)C)CC[C@@H]12	1560406208	LDQHQYBDQAOWFZ-OTWQRZTNSA-N	508.907	10.735	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c4c(c5ccccc5c32)[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O4)cc1	692203	FNIORPCDRJBACA-WMPKNSHKSA-N	528.568	5.293	50	40	KKGB	
COc1cc(/C=N/c2ccc(-c3nc(Cc4ccccc4)sc3C)cc2)ccc1N(CCCl)CCCl	1704200	SJEVKVPCAAZXLL-UZWMFBFFSA-N	538.544	7.753	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc(Br)c1O	1815542	DYKVEPJHONILFB-OPEKNORGSA-N	575.535	5.703	50	40	KKGB	
O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(NS(=O)(=O)c2cccs2)cc1	2652235	XNWWXMMTTFMTSA-WPWMEQJKSA-N	500.605	5.461	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1cccc(Br)c1	3113538	MWJAXIQXBPCIRS-AXMMYCDFSA-N	539.429	6.125	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccccc1C	3255472	CNAPXVDAGUIIEE-UDWIEESQSA-N	556.375	6.262	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2-n2cccc2)cc1	4063564	SHHPIHJMOYYHQT-WPWMEQJKSA-N	538.423	5.080	50	40	KKGB	
O=C(O)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	6445821	HLLGIHOHYYUOEV-PWVUHJLOSA-N	525.970	6.240	50	40	KKGB	
Cc1cccc(C)c1Oc1ccc(NC(=O)CCC(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)cc1	8451496	NKJSYYPXHZZWFS-XMMPIXPASA-N	511.977	6.377	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1CSc1nc2ccccc2o1	9043025	PMRBQJBBNGNZCL-KLSSENLKSA-N	504.439	6.170	50	40	KKGB	
N#C/C(=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)c1nc2ccccc2[nH]1	9375435	RCXNDVVJWOCWJN-NCELDCMTSA-N	508.585	5.842	50	40	KKGB	
N#C/C(=C\C1=C(N2CCOCC2)/C(=C/c2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1ccc(OC(F)F)cc1	12576734	JBTRUMZNDUORGH-WIDTVHIISA-N	522.508	5.048	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN=C(Cc3ccccc3)Cc3ccccc3)cc2)cc1	12650702	MDPXPLXDASZTHM-UHFFFAOYSA-N	525.674	5.387	50	40	KKGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1	97946774	AMRAQVARCSSUQD-YUMHPJSZSA-N	535.003	5.994	50	40	KKGB	
CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O	97946777	AYRZONYWERQOEZ-YQYKVWLJSA-N	556.666	6.901	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccc(Cl)cc1	97951880	ZHZHUEMKKLOFBP-RUZDIDTESA-N	540.085	5.523	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	100062324	BRNSJYLTHJLIPD-XODNFHPESA-N	583.253	6.648	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	100128769	HOSIBGLSUIJBMO-FJEPWZHXSA-N	556.475	5.142	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)Cc2ccccc2)cc1OC	100304016	CMQHXSNLPATVEB-FZPRHHONSA-N	629.566	5.759	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1Cl	100336143	QKJDLBXGQYPJCM-JAIQZWGSSA-N	525.830	6.853	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl	100394943	LEPONHGAQRNSAC-NCVBHOKTSA-N	581.132	5.270	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1	100846890	UDPKTDICTZGNBE-FSGOGVSDSA-N	544.681	5.040	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3Cl)n2-c2ccccc2)cc1	100901844	PHDMLTLGZNXKQR-NTFVMDSBSA-N	526.449	5.882	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	100956034	HAOMKSUSSHTLIU-RPLACLTLSA-N	591.023	5.144	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	102807469	VLFFRXVRSFVFHR-MHZLTWQESA-N	597.955	7.662	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	102809895	IHFNDJJLBPNJGS-GDLZYMKVSA-N	540.664	6.458	50	40	KKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)c1	103866082	OGYZFYNOSBWBRT-KMUKQRDJSA-N	582.770	6.995	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2	103888397	FXTCTXQYXVOHJG-JAIQZWGSSA-N	535.394	6.010	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	103898751	VFFHBXRSXPOTED-FMFFXOCNSA-N	579.053	5.467	50	40	KKGB	
O=C(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(N(CCCl)CCCl)cc1	104052302	XYUDFWAJDJOESZ-MZJWZYIUSA-N	538.888	5.226	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(I)cc1	104402165	OPQXWHBBSOJWOS-VULFUBBASA-N	579.232	5.795	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccc(Br)cc1	104953795	LQQPEPHWTRFSDO-GZTJUZNOSA-N	532.221	6.889	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1	112254672	KIXFSFJMGJNEMG-KUAZKQCOSA-N	620.503	5.353	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)cc1	150347007	IFBNYWCRHSKJBF-UXMZGZJCSA-N	708.382	6.557	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	150426207	NFAAVCDTWNSTAZ-VCHYOVAHSA-N	691.332	6.832	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164699041	VOZZYDLYMNYOSA-UQQQWYQISA-N	678.368	7.042	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)CCC)CC[C@]4(C)[C@H]3CC[C@]12C	253499493	ILSFDWKMTIXYBP-UTIBMMPFSA-N	521.295	10.352	50	40	KKGB	biogenic
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	408544489	WLXNVXUQCVHYOE-NDENLUEZSA-N	521.367	5.628	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)c(C(=O)OCC)c1C	408546885	OONVSORDJDZCOT-SRZZPIQSSA-N	591.638	5.445	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	408580201	BDSMGIZPOKNVDF-CIAFOILYSA-N	551.437	6.255	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408642837	OAPQXSWYTQIRGZ-MKXGPGLRSA-N	617.121	5.156	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	408723387	UVFGYXAMBAPUFA-GXMWNFHKSA-N	562.025	5.315	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)cc2-c2ccc(-c3ccccc3)cc2)cc1	408727359	WCCFPGHIOMRGJU-HZQMBONKSA-N	597.118	8.511	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1Cl	408745851	VYRMGPFFYDLVSS-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(I)cc1	408747323	MCLKPBILSIFUGD-YVLHZVERSA-N	715.123	6.792	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1cccc2ccccc12	408752786	CEQSGECJWSQQMA-HMAPJEAMSA-N	513.391	6.736	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408760417	YKBVJRZOCNMHPU-OPEKNORGSA-N	603.234	5.204	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408765236	UUQBQSYOBJVKOC-PDGQHHTCSA-N	714.319	5.916	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1cccc(F)c1	408791953	FQYKLIVCQONCQI-SRZZPIQSSA-N	570.402	6.571	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc2ccccc2c1	408795289	LXPILFAHDGRTSR-CVKSISIWSA-N	511.021	7.633	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1	408795620	MKTKXSIXMIRLCV-GIJQJNRQSA-N	591.218	6.626	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Cl)c1	408796476	OIIKSVNJYXHXBJ-MFKUBSTISA-N	543.450	8.006	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl	408799255	GXLDFKPMCONKDG-HYARGMPZSA-N	501.413	7.888	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(Cl)c1	408800957	QLPKYBPFNLPVNW-DJKKODMXSA-N	560.275	7.588	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)c2C)sc2c1CCCC2	408809440	RONXJTDWTHGLCV-KMYAOZERSA-N	501.652	5.996	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408815455	JKFSFLNUQOJVLP-CFRMEGHHSA-N	653.314	7.018	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408821632	JOMWURCZYNCFSB-LPYMAVHISA-N	642.764	9.113	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(Cl)cc2)cc1	408826297	GDHFEJTXVVONBJ-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1cccc(Cl)c1	408826861	LBVBDLQZNNJBOO-WPWMEQJKSA-N	553.058	7.751	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408833974	UCVSKNAOACJLDM-WSDLNYQXSA-N	642.764	9.113	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1	408842271	IQXNKAGWQUIVTB-BXYJWELOSA-N	594.465	6.484	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc2ccccc2c1	408844432	ISRUSBZLQHYDMA-UHBFCERESA-N	529.390	6.700	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408849329	ZQSRIOWWANUQMT-JEPNHJGPSA-N	611.651	5.655	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc(Br)c1OCc1ccccc1	408864784	ZYRFTIVILKVZDB-FDAWAROLSA-N	561.501	7.093	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408867185	JGRSZWJCWRMTGR-XDHOZWIPSA-N	511.456	6.137	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)c(OC)c1	408869524	RYPUGJSMSHXMED-KEBDBYFISA-N	663.306	5.882	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408876672	PSACDKYEOSJVPX-PNQUVVCRSA-N	663.805	6.222	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccccc1	408885050	WVLSMTDGIGZKSU-QNKGDIEWSA-N	591.089	5.337	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408889279	BKJGZADPTRSTCN-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408890183	PGCYZWHERLTEOQ-LICLKQGHSA-N	620.865	6.031	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OC(=O)c1ccc(OC)cc1	408896027	OXSPYOGBVJOAEO-GZTJUZNOSA-N	590.257	6.928	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c(OC)c1	408925529	UNEWNLGKXFLVPB-RZNGARSMSA-N	685.959	5.410	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OCc1ccc(F)cc1	408925673	SSIJSTPCCKHNAU-RQZCQDPDSA-N	700.140	7.397	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)c(OC)c1	408949756	FZMQEFWQAPRETC-FRMANHBFSA-N	665.541	5.065	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O	408972938	XDHFXSQJIXODNU-OOTQQHMSSA-N	609.304	5.115	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408973325	YIKKWFQXAYNCCP-MOUCIZBNSA-N	703.450	7.923	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c2ccccc2)cc1	408978796	KGNOEOPPOVDFHR-QXPVHXGPSA-N	656.602	7.050	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccccc1OCc1cccc(Cl)c1	408998077	ACLGHUMGPNSKDT-AXMMYCDFSA-N	512.009	5.931	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1Br	409002005	RTFFGRJXUSGSTJ-VYVUJPJFSA-N	696.017	7.641	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409016284	GJAYSBYOZKEELD-NUJZUDFISA-N	565.380	5.022	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1	409024174	ATSDNFFHECWVJZ-KCSSXMTESA-N	583.541	6.309	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409024410	KXZIVUQXPWUKHI-GZZLJNBRSA-N	554.672	5.368	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	409049553	WKUVLJBPIGJVMH-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409050785	ZRGVOWXZHGGRGB-SAEPALGJSA-N	668.016	9.466	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	409056656	NEFUCMPAQSHHQO-XODNFHPESA-N	545.817	5.851	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078437	HWURSZHUCUKKDK-LICLKQGHSA-N	681.361	6.741	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409087469	YUJAPYZPBAUSMR-XDHOZWIPSA-N	525.439	7.115	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1nc2ccccc2o1	409088687	GLXACXMAMNTJES-NTEUORMPSA-N	507.256	6.263	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2)cc1OC	409139713	DPURKKKLIIDOAG-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccccc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409140465	FJWNUGOXIPQDSY-RUZDIDTESA-N	566.496	5.419	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409167825	JXPACTCUAKNMSC-ZHSUKTGHSA-N	650.357	5.672	50	40	KKGB	
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	409178634	HDCZMUACGPUOAX-VPBXCIAMSA-N	658.299	6.171	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc5ccccc5c4)c(OC)c3)cc2c1	409184569	MDCOSPCWPOWMSM-KYHGBAKBSA-N	528.992	6.990	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4cccc(C(=O)O)c4)c(OC)c3)cc2c1	409188155	WZHXHMDWIGVXSJ-NUJZUDFISA-N	614.392	5.486	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1	409217231	AMIACOAGYQCZBF-CAQPMQTCSA-N	541.991	5.892	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409225515	QNQLPDLQIBUJEW-UHFFFAOYSA-N	632.383	5.501	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)c1cccc(C)c1	409226890	WEDTYYWWYOLLCE-UHFFFAOYSA-N	565.582	5.358	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccccc1	409229526	QMQIBYKSZVJNSO-VBNMEBLOSA-N	668.700	6.913	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409248615	HKEJSKGQZXCGKX-BRLDDBHUSA-N	552.400	5.399	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1	409257294	RYQWVWZGPVKBEU-ZRGSRPPYSA-N	521.198	5.537	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)cc1Cl	409263168	ASIWJRIMMVUXOJ-LICLKQGHSA-N	542.792	6.113	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)cc1OCC	409323539	PWHPIIDWGLTBEV-MNDYBZJGSA-N	632.305	6.216	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1	409366279	ZPINRDDINSULDG-WJDWOHSUSA-N	528.765	5.805	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(I)c1OCc1ccc(Br)cc1	409366838	ZFDNFOBEEBBKDJ-FDVSRXAVSA-N	653.311	5.741	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccc(Cl)cc1Cl	409372509	YWLAPDNRYSBNKO-MFOYZWKCSA-N	521.213	7.937	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)Sc1nc2ccccc2s1	409383908	OKZXHOZMNXOGHL-RQZCQDPDSA-N	686.765	8.395	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)ccc1Br	409386674	RDVBBDXVLDTWFM-BRJLIKDPSA-N	511.401	6.052	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1cccc2ccccc12	409387220	UXQJKGNEGDXCCV-FJEPWZHXSA-N	546.004	6.968	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396411	PLRFAIXGOFDUJB-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396621	ZLUNSNRRZSHHRX-UHFFFAOYSA-N	676.951	7.650	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409396836	BTEZYFJFLURWDZ-UHFFFAOYSA-N	585.975	6.348	50	40	KKGB	
CCOc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	409403371	MLFGVBUJIKBNKJ-UHFFFAOYSA-N	522.001	6.091	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OC(C)(C)C)o2)cc1	409404262	PPVJBUZKCIBVKF-ACXHZZMFSA-N	609.477	6.878	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1	409407406	ZPIPSKWGGWXLJT-DLCNMLRHSA-N	640.609	6.432	50	40	KKGB	
O=C(OC(=O)C(F)(F)[C@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl	885164213	STQZVNNBVMTPTQ-XUTVFYLZSA-N	708.815	7.879	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1Cl	2304460	QTWRBLUEGFJDEU-HEQFHQOESA-N	522.457	6.675	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Br)cc1)N2	6445759	LNVPUJUQFGAFCB-JCTDHXFVSA-N	559.869	7.094	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCOCC1	6445815	QCEZKCHLIFIBQP-ZXTWZYEISA-N	595.077	6.014	50	40	KKGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1	8399083	IGHPWJLWHBSUOT-ZBLBMXTLSA-N	619.589	6.357	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Cl)cc3)nnc2-c2ccccc2)cc1	9317440	KYPXOQJOQQNZNR-MTDXEUNCSA-N	506.031	5.619	50	40	KKGB	
CCOc1cc([C@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)cc(Br)c1O	9693502	NVHIQVVNNOXRFT-QGZVFWFLSA-N	500.418	5.081	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\CC)c3ccc(O)cc3)nnc2-c2ccccc2)cc1	9763211	UWMMZJAGHLYIRA-ZZIIXHQDSA-N	501.612	5.061	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)nnc2-c2ccccc2)cc1	16226361	GMLRRZGNFNNDDE-MZJWZYIUSA-N	512.422	5.492	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1C	16312672	VWBAQASSDYGMSK-DXJNIWACSA-N	528.678	5.052	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	20059649	MMJSJOQXMSYIFW-CVKSISIWSA-N	510.830	5.383	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)ccc1OCc1ccc(Br)cc1	20248161	GEHFGGDOKWPXAC-FLOSOGMCSA-N	513.457	5.809	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C=C\c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C)cc2)cc1	97939468	JARIZNUMWQIRKD-HOMFSZAXSA-N	528.594	5.067	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2C)c1	97960912	HNAYYVBDQIHLHC-XPGZBYHPSA-N	548.690	8.291	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc2ccccc2c1	97960968	IJWMGPCHJOOYBJ-OKCVXOCRSA-N	529.390	6.700	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1cccc2ccccc12	97962791	QTJSYMVIWQOCIU-KCSSXMTESA-N	586.429	6.949	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1	97999418	UTTIZIOXWMJKIG-HHHXNRCGSA-N	579.509	6.709	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	100418108	FPTARCGSNANHRY-XKJRVUDJSA-N	548.345	5.497	50	40	KKGB	
O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Br)cc2)cc1)c1cccnc1	100549035	SWYXRJFCDKFRTD-FTBWOGGGSA-N	524.422	5.964	50	40	KKGB	
COc1ccc(-c2csc(/C(C#N)=C\c3cc(Br)c(O)c(Br)c3)n2)cc1OC	100737283	BOHQFBYEVQYPDV-ACAGNQJTSA-N	522.218	6.122	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1	100958712	PPORKVBJPUPJBN-XICOUIIWSA-N	598.124	6.726	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1	100990406	UGBRJCMTWCPRPX-MZOFLMDJSA-N	522.457	6.045	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2)=C(C)N1	102160692	YMIIKLQRHDAQKO-MUUNZHRXSA-N	540.689	6.419	50	40	KKGB	
C=C(C)c1cccc(C(C)(C)NC(=O)NNC(=O)c2ccc(NC(=O)NC(C)(C)c3cccc(C(=C)C)c3)cc2)c1	102937303	GHWFNPJDOSVCHS-UHFFFAOYSA-N	553.707	6.689	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	107768498	DWRXNOMZOWXRBN-RPPGKUMJSA-N	500.363	6.459	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c(C(=O)OCC)c1C	109170153	OQJULKPVSLUDRR-CIAFOILYSA-N	548.617	5.234	50	40	KKGB	
Fc1ccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3)CCCN2Cc2ccc(N(CCCl)CCCl)cc2)cc1	150371891	OPCKUFJENCUMHR-UHFFFAOYSA-N	640.502	7.800	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	150481206	LXZWUHLRKPNEEO-XPGZBYHPSA-N	698.867	5.671	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	162503215	PFMLNSZELHHKLH-FMFFXOCNSA-N	636.568	6.081	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12	209489236	LZBOJKQKJFKOJI-MFKUBSTISA-N	545.420	7.795	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccccc2)cc1	211063658	ZNGJAYUIGQJMOZ-NJZRLIGZSA-N	543.645	5.010	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1cccc2ccccc12	216042766	MKNZUMGNEOOGRK-LJUMEUDFSA-N	531.450	6.500	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408543366	QPCVHWQXRORJGC-IUXPMGMMSA-N	729.106	6.481	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550541	FCXQDTFJXRJKNF-YVLHZVERSA-N	619.299	6.726	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551398	KQOWBCRRJSBYOJ-CXUHLZMHSA-N	587.257	7.377	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCc1ccccc1Cl	408590534	PMEMFCMQBGUOJE-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)NNC(=O)c1ccc(Cl)cc1	408665348	DSVOYKKAFSUGHQ-UHFFFAOYSA-N	578.836	5.552	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408665750	ZJIBEXBGIMIOBI-CYJHHTLLSA-N	678.399	7.777	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408673851	XVAITYVBAROLTR-IQRFUGTFSA-N	638.740	5.033	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@@H](Br)c2ccccc2)cc1)c1ccccc1	408687044	TZFAABYESHOHJR-BDYUSTAISA-N	528.402	6.483	50	40	KKGB	
CNc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1I	408741518	QDOFHSIDJPSKNN-KBKYJPHKSA-N	632.671	5.762	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408747617	QLFJDHALGAHONB-YVLHZVERSA-N	634.224	6.095	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408748196	ZWFBQJKKGHVENC-OJYCWLPVSA-N	644.363	7.330	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(I)c1OCc1cccc2ccccc12	408762130	JFZRKJOOZACXEL-JVWAILMASA-N	624.478	8.121	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)c1	408764090	LEYXFSRXQBSNEF-DEDYPNTBSA-N	632.476	5.710	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc2c(c1)OCO2	408766999	USJSNWRFQYKCFR-GRSHGNNSSA-N	521.367	5.701	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1)c1ccccc1	408768880	KUBMAKDMDJIQPZ-RGKQAONTSA-N	540.483	5.089	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408790569	WXYPZVFFLQRRBI-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1cccc(F)c1	408791443	XPMZXVFQSGTTMG-SRZZPIQSSA-N	523.402	6.728	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(I)cc1	408791745	BVYGSEJJZMARLS-NLRVBDNBSA-N	630.482	7.394	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(OCC)c2)cc1	408791995	GIXYSTGDGWBOMX-FYJGNVAPSA-N	614.411	6.130	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(C)c1	408792940	CDSVNVXJXBNYCX-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1cccc(F)c1	408794541	IXDILQWDWYJXAL-YBFXNURJSA-N	525.374	6.120	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(O)cc1	408794803	KBWSCYTWTDHPCR-CXUHLZMHSA-N	640.190	5.865	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2I)c1	408795871	NKEGWLYDSYXRDE-GIJQJNRQSA-N	618.225	6.395	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408797796	SZUVVWTYWJGXPW-UDWIEESQSA-N	507.804	7.925	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1Cl	408819665	QYAPAWNMSUBKQH-UKTHLTGXSA-N	504.757	6.706	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1	408820484	WLXZUDPRQKFLFU-YBFXNURJSA-N	515.824	7.479	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408823134	CUXGVXVRLCGXGC-OCSSWDANSA-N	552.052	5.405	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408837283	BOEHZUSJLCHUEJ-FDAWAROLSA-N	612.933	6.027	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408841873	IIIBEQZEOJJBII-MWBNBJEGSA-N	597.140	8.175	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408846496	SPYZOWNDMHCTKR-ALQBTCKLSA-N	590.463	6.556	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5sc6c(c5C#N)CCCC6)c4C)cc3)cs2)cc1	408847014	SFPGVLNQYXEDKV-MWBNBJEGSA-N	590.778	7.846	50	40	KKGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408848773	YINFWBZOMAVHOU-WKULSOCRSA-N	565.880	6.746	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)NCc3ccc(Cl)cc3)o2)cc1	408854230	AIUFFRCKPPYEMK-UQQQWYQISA-N	560.075	5.856	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)ccc1I	408855024	BVDJYXVCYNELFV-GATIEOLUSA-N	631.106	5.996	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408861770	AINUJMZXSLQBOO-ATZGPIRCSA-N	645.952	6.010	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	408862860	MWKISNXPDRJHQK-DPNNOFEESA-N	609.079	5.151	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408864438	VWDSTLVCNBABRX-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2cc(C)cc(C)c2)cc1	408874457	BXRAWUVADLNBMN-HPNXWYHWSA-N	591.733	6.690	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1Br	408879506	GNFHAIVHQMZHOY-VCHYOVAHSA-N	590.699	7.388	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(C)cc1	408885457	AGNGLDQGCQACPE-RGVLZGJSSA-N	521.367	5.589	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408887204	MNHBZXIHLQGBMD-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccc(F)cc1	408900895	YSQADDJTJHNHEC-CPNJWEJPSA-N	542.348	5.954	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCc1ccc(Br)cc1	408904530	LAAODJXBQOWMAG-FDVSRXAVSA-N	564.392	6.184	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1	408905138	UEPMBCVBTVROOB-QDTIIGTASA-N	528.348	6.389	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c(OC)c1	408950586	HBWUJHSRQHQYQS-FKZKYSLJSA-N	730.956	5.318	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OCC)c1OCc1cccc2ccccc12	408965112	GGLAJXTXNIAKPV-ALQBTCKLSA-N	507.565	6.321	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1Cl	408982611	IICKXXCBMQNQNR-IUXPMGMMSA-N	506.216	7.733	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1I	408984006	PGFKKKCRWINPEY-ZSOIEALJSA-N	557.613	6.126	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2)cc1	409032032	IMRNNBQYXLITBE-BIZUNTBRSA-N	518.642	7.205	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1	409042850	DAXNZNDYOZYZPP-KGENOOAVSA-N	534.012	6.009	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12	409062707	ZIZKMNIVVLBUFF-MUFRIFMGSA-N	526.445	5.488	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	409069319	CMKGYWDDMZGHNM-NTEUORMPSA-N	542.227	6.614	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078564	IUMLKKLXURKBRH-RIYZIHGNSA-N	560.282	7.382	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1	409084956	NMEOTQLRYLUIKS-AWNIVKPZSA-N	679.165	8.495	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1Cl	409137298	WSIIWQNDMVIDJT-IZYHBKOJSA-N	690.577	6.473	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1	409171595	ANTANMCPBIOVQV-KBVAKVRCSA-N	507.417	6.817	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCC(=O)Nc4ccc(C)cc4)cc3Br)cc2c1	409187827	USLROWWHBSUNIR-ACXHZZMFSA-N	594.462	6.083	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1cccc2ccccc12	409189406	GFULZGYQMUSHNJ-HMAPJEAMSA-N	519.439	6.546	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Cl)cc2Cl)cc1	409220136	YMXZACOBLWJUCL-QDTIIGTASA-N	543.363	5.479	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc2ccccc2c1	409228514	BAQZITJWKYRXHZ-UUYOSTAYSA-N	536.937	7.645	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	409251951	AOTWUURBTGYHHQ-XJECJHNESA-N	630.557	7.950	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)c(Br)c2)ccc1OCc1ccccc1	409264427	LHRIQJADZAWXGC-FZKWRIDDSA-N	616.512	6.517	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCc1ccccc1	409309708	LKRIDBPFCTZXEM-FSGOGVSDSA-N	530.602	5.114	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	409312021	JHAUYNOJZVVNCY-QMRORBIVSA-N	705.376	7.927	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)c(C)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409317519	UTQGLCFJEZBDAR-SFTDATJTSA-N	627.344	5.573	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	409318716	XKDBVVCAZBVSJC-HQDYHJHZSA-N	623.931	7.432	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409323413	OAIORLDJQLIBAO-MWLSYYOVSA-N	629.420	6.184	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OCc1ccccc1Cl	409369472	OSLBHHHUNUEOEY-MOSHPQCFSA-N	515.778	6.986	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OCC	409373153	MWIRLOZBSBKRRL-CVKSISIWSA-N	530.362	5.180	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)c1	409396876	CIGIAKFYBWHMRF-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397352	IYMCYHZUJFNFKB-UHFFFAOYSA-N	613.026	6.787	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409398108	QPOGMIJXELVDPG-UHFFFAOYSA-N	528.568	6.007	50	40	KKGB	
CCOc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1[N+](=O)[O-]	409404365	PZMPFKHSJSHWIA-NTFVMDSBSA-N	502.527	5.337	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409405762	VCMLURORNPMCMO-OJYCWLPVSA-N	576.653	6.356	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4C#N)cc3)o2)cc1	409406386	WMKXDWOGQQBPLC-OJYCWLPVSA-N	544.611	6.481	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1cccc(C)c1	409410585	YAIOOVRERHZGMX-OJYCWLPVSA-N	577.637	6.566	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CC[C@@H](C)C2	1816809	RSIVSABVZOHYEN-OVGFGYAMSA-N	505.552	5.763	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)ccc1I	2292623	GLFRULLSOKCKTN-OPEKNORGSA-N	532.407	5.021	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1	2696299	YXUANDYPXDTCRU-OCSSWDANSA-N	572.488	6.101	50	40	KKGB	
N#C/C(=C\C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1)c1nnc(N2CCOCC2)n1-c1ccccc1	3196366	VZJQGSZSRIFDGT-SXDOHERJSA-N	555.082	5.128	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(Br)cc1OCc1ccc(Cl)cc1	4047771	AVVYNPDGNXMSOC-WCMJOSRZSA-N	566.883	6.862	50	40	KKGB	
S=C(NCCNC(=S)SSC(=S)NNc1ccccc1)SSC(=S)NNc1ccccc1	4683219	SDBIIGLXBBORJH-UHFFFAOYSA-N	576.936	5.301	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2CI	8382434	VJCWEUYDXCVIJK-VTMSZTNWSA-N	500.505	6.992	50	40	KKGB	biogenic,in-vitro
CCCC(CCC)=NNC(=O)[C@@H](C)Sc1nnc(S[C@H](C)C(=O)NN=C(CCC)CCC)s1	9034301	FUHGANDSUZKODF-HZPDHXFCSA-N	514.787	5.644	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl	12859239	ZBAIQRMTFSZNBN-DEOSSOPVSA-N	535.069	5.683	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(CC)cc2)=C(C#N)[C@H]1c1ccco1	20136773	WXTBHQBTWCUYIJ-VWLOTQADSA-N	513.619	5.610	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c1	20243700	BODWAEMRSIMQIN-RPPGKUMJSA-N	504.881	6.369	50	40	KKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2	36092604	OEWUXLCXQPIEAF-RAXLEYEMSA-N	511.943	5.781	50	40	KKGB	
O=S(=O)(/N=C1\C(Cl)=C(Cl)/C(=N/S(=O)(=O)c2ccc(Cl)cc2)[C@H](Cl)[C@H]1Cl)c1ccc(Cl)cc1	97957686	HTQGXAAIKZRHNG-IUIODHKPSA-N	595.140	5.871	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	97957939	OZRKHGYHICJDST-UVHMKAGCSA-N	560.242	5.577	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C3/C[C@H](c4ccccc4)Oc4ccccc43)cc2)cc1	97980760	IRTFTTNSYPAMPP-WHRCKDFNSA-N	541.629	5.544	50	40	KKGB	
CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1	98002599	LUXYLUQRZYLHII-RKRAEDNPSA-N	567.487	7.071	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)N2)c([N+](=O)[O-])c1	98048895	MALLEOKJXACUBV-VWLOTQADSA-N	648.019	6.575	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2O)cc1)S(=O)(=O)c1ccccc1	100104512	JHAIEOZSVZWQJA-UXHLAJHPSA-N	534.037	5.513	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl	101853451	AWBIRCJMBSJIGG-LJAQVGFWSA-N	574.102	6.324	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)C(C(=O)Nc3ccccc3)=C(C)N2)c1	102719155	QOIGHRMFFZDXBN-MHZLTWQESA-N	528.609	5.541	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1	103012234	XNXCCBGUUOEQKD-AWSUPERCSA-N	549.737	6.388	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H]2O[C@H]2[C@@]2(C)[C@H]3C[C@@H]3O[C@@]4(OC[C@@H](C)C[C@H]4Br)[C@@H](C)[C@@H]32)C1	123214079	IRGXIYGEVPSGHA-SZKTXJJTSA-N	551.562	5.725	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)o2)cc1	150364771	IMOAJPUVBQUZFF-GOJREDGKSA-N	637.714	6.291	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1Br	150370697	REGGDJHBNKYXSK-UACWCTJZSA-N	651.564	8.788	50	40	KKGB	
CC1=CC(=C(C#N)C#N)C=C(C)N1CCN1CCN(C(=Nc2ccc(Cl)cc2)N2CCN(CCN3C(C)=CC(=C(C#N)C#N)C=C3C)CC2)CC1	150424618	VCIXKGDXHQKIAZ-UHFFFAOYSA-N	702.311	5.497	50	40	KKGB	
O=P(Cl)(Cl)N[P@]1(Cl)=NP(Cl)(Cl)=N[P@@](Cl)(NP(=O)(Cl)Cl)=N1	263621557	YOWYBYNFPCUWSG-PMACEKPBSA-N	542.543	9.144	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Br	408539118	TVLBLMZDOCIRCL-STZFKDTASA-N	562.346	8.113	50	40	KKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1	408539446	HTFSAFQEEIWSLT-QXPFVDMISA-N	523.073	7.431	50	40	KKGB	
COc1cc(COc2ccc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)cc2)ccc1OCc1ccccc1	408540139	NOLQIAGEGBSQJG-LRIZEKIPSA-N	602.687	7.205	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c(C(=O)OCC)c1C	408547049	QYXVFPUFSJUQMZ-UDWIEESQSA-N	570.038	6.500	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OC(C)C)c(I)c2)c(C#N)c1C	408547058	RFKJQCMZCKUWSD-GIDUJCDVSA-N	674.298	5.820	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccccc1Cl	408552180	HWDYNQPYTDVIAS-YBFXNURJSA-N	643.934	7.280	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccccc1[N+](=O)[O-]	408599552	WGYONRVDIUKGCL-BHGWPJFGSA-N	672.173	5.055	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O	408645991	SUXDTKRULOPEKT-NRFANRHFSA-N	533.770	5.666	50	40	KKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCc1ccc(Cl)cc1	408691853	UMGODEZPVYUEEE-GRSHGNNSSA-N	555.803	6.489	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)ccc1I	408746564	FGLGCLNUQBOJLA-YPXUMCKCSA-N	735.110	5.739	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747187	KFKSJMSJIAZMNH-MTJSOVHGSA-N	596.706	8.143	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)cc1)C(O)(c1ccccc1)c1ccccc1	408747382	NCUPUYGVDXPXSP-FSGOGVSDSA-N	562.407	5.256	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCc1ccccc1	408747511	OZADIVGIWYYPEF-NDENLUEZSA-N	526.228	6.014	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)ccc1I	408747946	VZQNHMIDZKSFNC-WCMJOSRZSA-N	597.428	6.189	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(C)C)cc1	408756479	VOPVDAYAANDLIZ-BTSCWMHGSA-N	508.427	5.015	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)COc3cccc4cccnc34)c2C)ccc1I	408772530	MMVQLIZHHVHNKB-CCVNUDIWSA-N	538.389	5.084	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OCC	408780906	MZMJTHYDCVIVAE-RGEXLXHISA-N	500.437	6.028	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408792263	ABZOZYAOIFHTLN-UDWIEESQSA-N	568.367	5.513	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cccc2ccccc12	408792575	LCALLJFKMGPORQ-FYJGNVAPSA-N	529.390	6.441	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccc(F)cc1	408793148	DFXXKLIEODXXMR-XDHOZWIPSA-N	525.374	6.120	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408795797	MPTFHPKLJYWLFE-LICLKQGHSA-N	549.195	6.723	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(Br)cc1	408796220	OOMKQRAQWVENQF-VCHYOVAHSA-N	590.699	7.388	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408796724	PRMXHGFLTPKDNX-UDWIEESQSA-N	540.255	6.899	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccccc1F	408811129	KJHXVHPFZFHWRY-BOPFTXTBSA-N	532.740	6.208	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(=O)(=O)c1ccccc1	408825792	ACXJMPPAZZNDQC-UZWMFBFFSA-N	542.705	5.619	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408831136	PWAIJADLDMZNCK-LPYMAVHISA-N	642.764	9.113	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408838169	CORXTXARSANFKA-WCMJOSRZSA-N	577.380	6.137	50	40	KKGB	
CCOc1cc(Cl)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408839367	RDLWHZSTXPXKSI-FJEPWZHXSA-N	555.487	7.422	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc(Br)cc1	408843641	MOBCMXMTJVDSHI-BIZUNTBRSA-N	586.442	6.083	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc(C)c1OCc1ccc(Br)cc1	408844149	CFWZMBFPMGIHOY-UVHMKAGCSA-N	546.259	5.937	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408845399	MSEVCDZAXTUZGU-QDTIIGTASA-N	617.250	6.608	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408848350	YCXMVNXMIHHOPA-DPNNOFEESA-N	533.455	6.575	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc(F)c1	408854323	CLTZMACHUCTPMY-DBSPGSINSA-N	673.526	7.938	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1	408863852	QOEGFERGSGAOOM-LGJNPRDNSA-N	571.280	5.110	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c2cc(Cl)cc(Cl)c2)cc1	408867431	KTFFTAOJBPRKSN-CCVNUDIWSA-N	598.350	5.476	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Br)c1C	408871459	GSRZNMYRLWDKDA-FYJGNVAPSA-N	524.256	6.965	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	408871814	ZVSUZGHLZBJRRN-FMFFXOCNSA-N	605.116	5.266	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1Cc1cccc(F)c1	408876687	PWRRAKNQNDRQOR-CAOOACKPSA-N	546.767	6.229	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408877672	XPEUIKOMFKZRRR-XKJRVUDJSA-N	694.229	6.022	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1	408881781	MPZLEWXKTZTABM-GZTJUZNOSA-N	669.189	6.904	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl	408884620	XWXKNORUMPPYRU-LZYBPNLTSA-N	581.091	7.643	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccc(Cl)cc1	408886046	HIXLDLKPWUHPJT-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OCc1ccccc1	408888358	URFZZAPOPZXKEA-VCHYOVAHSA-N	501.797	7.170	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1c(Cl)cccc1Cl	408893040	FBFCPVCRAIXJBT-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	408921502	AGOOSCINNQWLJZ-CLAOXVRQSA-N	750.430	6.072	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1C	408924618	NGSVBKYVSBLJDC-CIAFOILYSA-N	597.409	6.340	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(OC)c1	408955739	PCUBUYPUZVQLIP-IBGODTCXSA-N	664.546	5.725	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408961510	COESTMVBHHIQQQ-KKMKTNMSSA-N	568.336	5.153	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408961790	FCNCESGBBGWTOM-FJEPWZHXSA-N	513.472	5.694	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408973004	RGWHNLMFFNAXGI-OBSXRXROSA-N	663.396	6.365	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccc(C)cc1	408973125	ZAXPRWSXUNXKHY-QWKCNVQFSA-N	545.680	5.341	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408980649	RYDIOXYGUWXZOY-LUNPLWTBSA-N	522.561	5.185	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)cc(I)c4o3)o2)c(Br)c1	409009480	AIPDSWUQQLVTTP-MRUKODCESA-N	628.058	6.895	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409011968	PLNRFGDINUWTHC-XZYGTATASA-N	555.650	6.084	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1	409015795	BHZXPPZWSNFDFW-MRSHRHRLSA-N	613.626	6.442	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	409016569	QIWTYMXGRRWAPT-CGZKLGNUSA-N	658.579	6.540	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409034982	IRBZKOXQFNFGQR-DPNNOFEESA-N	656.449	7.436	50	40	KKGB	
N#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409035554	JGVJEURXVLKEKG-FDVSRXAVSA-N	519.786	5.984	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12)c1ccc(Cl)cc1Cl	409045392	PLVBHUVBFGEDGA-UJVWTXPYSA-N	645.886	6.522	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	409058839	UBFSSNLVINNXMH-RGVLZGJSSA-N	540.255	6.953	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCc1cccc2ccccc12	409073873	JBROAJVDTNVKHQ-VUTHCHCSSA-N	516.641	7.709	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409074045	JUWXDVBYNRSMHW-SFQUDFHCSA-N	517.390	5.705	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)c1C	409074122	YAUOXJVTLAYAMD-WOJGMQOQSA-N	501.391	5.924	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(I)c1OCc1ccc(Cl)cc1Cl	409139594	OGZVCXMTQYEYCS-HXUWFJFHSA-N	597.240	5.825	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	409140717	RZPMBWLQESSJKH-QFIPXVFZSA-N	518.194	6.259	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCc1ccc(Cl)c(Cl)c1	409161449	XJDOQEGIRXLIJA-FJEPWZHXSA-N	538.387	6.190	50	40	KKGB	
Cc1ccc(C(C)C)c(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)c1	409204359	GLJFLPDLKMFXQT-LFVJCYFKSA-N	521.617	6.104	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1	409226461	WKPGCJSOFQKJAM-UHFFFAOYSA-N	625.306	7.300	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(C)=O	409227702	VCEOKPIJJIJGBZ-KHGRGXQGSA-N	701.486	5.926	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409234463	WXBSDJIZVAGBEX-WCEBZYJUSA-N	583.382	5.571	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1C	409257006	RAUSQVZCDWHACM-ODLFYWEKSA-N	579.407	5.628	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)cc1	409273344	XLNXWDNIWGIPDJ-QMRORBIVSA-N	719.459	8.169	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)ccc1OC	409314090	FBXMNJIKCTUJSF-DBFSUHOCSA-N	550.826	5.836	50	40	KKGB	
COc1c(I)cc(I)cc1/C=C(/C#N)c1cccc2ccccc12	409319983	OHPFMTJUOMOMPP-DHDCSXOGSA-N	537.138	6.122	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OCc1ccccc1	409366849	ZLSLTYCXBOWWDD-ZVHZXABRSA-N	556.491	5.305	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(F)cc2)c(OC)c1	409373162	NMPULXLCWURXIB-IBBHUPRXSA-N	535.959	5.431	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3F)c(OCC)c2)ccc1OCc1ccccc1	409377812	LAQMTEWUXKONEN-WBIBEUCMSA-N	664.528	6.746	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409384623	DWOJGFWNMVSPBQ-XODNFHPESA-N	553.980	5.903	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(c1ccccc1)c1ccccc1	409390499	DLAVCOJCMJZCHE-YKQZZPSBSA-N	544.405	6.219	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl	409394816	GHUXPTSOBITVMR-UHFFFAOYSA-N	655.307	8.035	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)c(OC)c3)c(-c3ccccc3)c2c1	409397720	NEBVMAASWYQLSU-UHFFFAOYSA-N	547.611	6.534	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1cccc(C(=O)O)c1	409402321	JTTUDFMVMZKPOM-KOKCXWAISA-N	733.559	7.311	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Br)c1	409402373	JXHSFXZEXNTLDL-VHFSBPNMSA-N	646.969	8.333	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4cccc(F)c4)c(Br)c3)o2)cc1	409406561	XCMGZZDNFVMTIN-ADJDCTSUSA-N	738.408	7.712	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	1529547061	IMNWORJJIUUKDX-FKZKYSLJSA-N	753.446	6.062	50	40	KKGB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21C(C#N)=C(N)N(c2ccccc2C(F)(F)F)C2=C1C(=O)CC(C)(C)C2	1421937	LYFNGWQFGIOEDI-SANMLTNESA-N	526.946	5.714	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)s3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1836037	CGGBSZTUCXJBTA-LQKURTRISA-N	519.696	5.853	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)n2-c2ccc(Cl)cc2)cc1	2321567	LFPRWCHKMWXNEP-OKCVXOCRSA-N	544.036	5.698	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1	3116293	ABFHYENVTMCSTD-OGLMXYFKSA-N	534.353	5.356	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Br)cc1	4196308	DATQUOYFUJICIJ-VCHYOVAHSA-N	533.647	7.517	50	40	KKGB	
CC1(C)[C@@]2(C(=O)Nc3ccc(SC(F)F)cc3)CC[C@]1(C(Br)Br)[C@H]2Br	8440326	MVGNVPKHTRSMIC-LQAWEQHXSA-N	562.112	6.626	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1cccc(Cl)c1	8812433	HDMZHULAQZAMAU-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCCC(C)C	8997707	NVSMTEOXBRVARG-NCELDCMTSA-N	501.634	7.224	50	40	KKGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1O)[C@H]1CC1(c1ccccc1)c1ccccc1	13305503	YJULOOZGDCUFEL-XZXCIOHHSA-N	514.217	5.374	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1)c1cccc(Cl)c1Cl	19926531	UHXKEBMDCIFIDI-LGJNPRDNSA-N	510.830	5.377	50	40	KKGB	
C/C(N)=C(/C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)c(Cl)c1)CCC2	25424539	SIYSFOMLMVHKJF-IXKPFFITSA-N	506.389	5.901	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccccc1Cl	35494378	XDQITJHITGFVFI-DICXZTSXSA-N	501.808	5.773	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc(Cl)cc1)=C(C#N)[C@H]2c1ccc(Cl)cc1	40486432	OQUBDJAAEOKWKE-HSZRJFAPSA-N	512.462	6.430	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)N/N=C/c1ccc(F)cc1	53319465	FRMLKKNSNURKNI-DPNNOFEESA-N	554.419	7.000	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1	59382987	DMSWMNRIPTYUPQ-ZTKZIYFRSA-N	507.656	5.335	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	59856571	CDZKAKAJGWSEBG-QNKGDIEWSA-N	565.651	5.713	50	40	KKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Br)[C@H](Br)c2ccccc2)cc1[C@H](Br)[C@@H](Br)c1ccccc1	95100219	NTLCIZNKMMIJMN-LRSLUSHPSA-N	691.996	8.647	50	40	KKGB	
CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1	97944549	DWHGAGJAFNWXDC-YEANOEQJSA-N	726.378	5.242	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1cccc2ccccc12	97960639	BOPBOJCXLFQDHV-PCLIKHOPSA-N	555.472	7.688	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	97986448	AMBFKSJPOMMKKE-NDEPHWFRSA-N	558.635	5.549	50	40	KKGB	
O=C1OC(=O)c2cc(Oc3ccc(-n4c(=O)c5cc6c(=O)n(-c7ccc(Oc8ccc9c(c8)C(=O)OC9=O)cc7)c(=O)c6c(C(=O)c6ccccc6)c5c4=O)cc3)ccc21	98001588	YLDWSYAZBNDAPW-UHFFFAOYSA-N	796.656	5.328	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1	100123025	CIPSMUAJWQACFE-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc2C)cc1	100123287	YOUVINAOMBLOKN-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
O=[N+]([O-])c1cccc(P(=O)(c2cccc([N+](=O)[O-])c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	100172914	VAJUEGMQFVXDQF-UHFFFAOYSA-N	504.279	5.180	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(COc3ccc(F)cc3F)c2)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1	101999725	FFIQLZGBFWDJHP-OLNDLFIGSA-N	612.102	6.331	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1Cl	102718235	PVTKMCXVXGVNEA-HHHXNRCGSA-N	579.509	6.709	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)o2)c1	103754318	VLFNSIVPKFBHJZ-WKULSOCRSA-N	554.609	5.614	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C	103874892	RBIILFLWRVLKKE-YSMPRRRNSA-N	584.749	7.604	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(Cl)c3)N=C3CCCC(O)=C32)ccc1O	104132251	DIYURRBICRPVLC-XMMPIXPASA-N	510.015	6.004	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1O)C(/C(C#N)=C\c1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCO2	104133552	IFRXMHLFSUFTJL-BTDHQHPHSA-N	560.220	7.738	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1cccc2ccccc12	107877591	YEMZESPEWXJBTI-HNSNBQBZSA-N	559.504	7.180	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)[C@@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C	118914796	RBYRHDBWVSOLNG-KMQFZQOVSA-N	597.587	5.650	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342180	XEMQCKIIRCMJKH-REOHCLBHSA-N	842.037	10.293	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(Br)C(=O)CBr)[C@@H]3C[C@H](Br)[C@]2(Br)C1	150362840	KPZJILDRZNNZHU-CGMKGUCRSA-N	676.122	6.949	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	150386704	VZSAMDRKUVQIHJ-KWQVAVEISA-N	705.620	6.954	50	40	KKGB	
NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	150400190	BCEKQYFMCZRDDW-PXLJZGITSA-N	754.793	5.982	50	40	KKGB	
Cc1c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)ccc(Br)c1Cl	150401541	JBPMOWFLFUBGDW-AFWRVKQNSA-N	673.627	5.739	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C/c1ccc(Cl)cc1Cl	150620408	AUKGUCDDGHXXCA-PNEXRJAKSA-N	680.420	7.891	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1Br	162431040	YZFGCMUCYOHSNR-ALQBTCKLSA-N	679.593	5.438	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164739343	XGNBPOQYOLMCDT-IUXPMGMMSA-N	700.101	7.199	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	198320183	LVGVXDRBVDFTJI-KULFSUQXSA-N	663.049	5.861	50	40	KKGB	
Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Sc2sc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)o1	200185028	ACTFCTFZNWALRX-UHFFFAOYSA-N	796.938	9.497	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br	408537698	GXTYATYPDYOECG-KGENOOAVSA-N	562.346	8.113	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)c3ccc(Br)cc3)cc2Cl)ccc1OCc1ccccc1	408539271	GLCNASUQLPNGML-ZMOGYAJESA-N	595.320	8.987	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2)ccc1OCc1ccccc1	408539552	XHYAWZZQYMBZKP-WSBIKYRQSA-N	689.237	9.528	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408540034	MBSDWTFFMSJMKG-CLHYIUPASA-N	592.614	7.425	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(C#N)c1C	408547220	VMDOQXNHXWBHPB-RIYZIHGNSA-N	509.927	5.645	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552619	RPVQHGHWNOAKAL-ULTCEKQJSA-N	680.248	6.797	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1	408637479	KYSLERNGEBWSSW-DFHRPNOPSA-N	562.449	7.062	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408639542	FVEBHRJZUOZFPE-BJESRGMDSA-N	782.225	6.283	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408649342	XTZZDADKHBHCQW-KIHHCIJBSA-N	751.255	6.683	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408650226	LZEZPJHNHKGXAL-LVCYWYKZSA-N	519.812	5.182	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O	408659656	WFHCZFXHPAAHQU-OZTQZWFPSA-N	551.829	5.401	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)c1	408743977	CXSZDJVOEMAFMZ-NVMNQCDNSA-N	576.274	7.288	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Br	408751887	AAHLTGCYMBBMJC-QPSGOUHRSA-N	508.981	5.208	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Br)cc1	408753213	FHDIZKPREUPSIM-WQRHYEAKSA-N	542.227	6.345	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Br)c1	408756035	QOUXKUCBPHMSRS-YVLHZVERSA-N	546.646	6.990	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408764027	HZBXTKUNWQHIAH-KBVAKVRCSA-N	505.534	6.107	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(I)cc1	408764116	WDUPXKFPCHWXJO-NDENLUEZSA-N	678.162	7.669	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1ccccc1I	408765392	PHIXAVQUUHOVIN-QNGOZBTKSA-N	580.403	5.758	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	408768920	LYERZXUNJUBPFH-PDGQHHTCSA-N	610.421	6.458	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408789390	PNABDJAOHLKSOP-VIZOYTHASA-N	615.536	8.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1cccc(C)c1	408791699	BCEIIFJZJFSSLZ-SRZZPIQSSA-N	586.857	7.085	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Br)cc1	408793111	NLLLTUHOPQEGIA-LICLKQGHSA-N	623.672	6.840	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc(Br)cc1	408811318	BJKJTPVWOUKLGF-JCMHNJIXSA-N	535.413	6.840	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)Nc2ccc(OCC)cc2)c1Cl	408815883	VQARESPMWGZORK-LGJNPRDNSA-N	505.358	6.061	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408817099	MSZAETCSXPSXES-VCRVEWMUSA-N	611.526	6.506	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccccc1F	408818034	MQWNISRNCZZWPV-MFOYZWKCSA-N	574.200	6.174	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC	408824970	ILFHSCDXUPNQMO-HYARGMPZSA-N	531.406	5.903	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)cc1	408827013	KANPOMZDSSQAAN-BBUXEPKYSA-N	784.154	6.736	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c2cc(Cl)ccc2OC)cc1OC	408832397	WSZOUDWRJBEVSH-XZYGTATASA-N	681.167	5.037	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)cc1	408850047	DPNPXMHMYAMWJK-FZSDHLTPSA-N	596.706	8.342	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc(C(C)(C)C)c1O	408857551	OGLYTKFRCQLRAR-XKJRVUDJSA-N	565.523	6.498	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC	408857723	MADOOTYEYQBKLU-MUFRIFMGSA-N	606.926	5.330	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2cccc(Cl)c2C)cc1	408858061	IWHQDTIJFGNEAS-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc(Cl)c2)c(OC)c1	408873302	SKSHLVYSAQPRKH-RGVLZGJSSA-N	572.830	6.640	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)c(OC)c1	408874881	BSEUVTDSIOUAJZ-KEBDBYFISA-N	602.400	5.258	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Br)ccc3ccccc23)c1C	408886011	CRQNYXDTVSQAGZ-XQNSMLJCSA-N	511.419	7.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408889096	DORJJIJNYFQVBW-DPNNOFEESA-N	737.613	6.359	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408898915	YJIBXLIBTCDZKW-BRJLIKDPSA-N	563.202	5.471	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc2ccccc2c1	408904134	FHOSHASQSCXCSK-LQNQUEJISA-N	509.518	6.236	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(OC)cc1	408926285	WTQCEXAMGOUJMW-RCCKNPSSSA-N	506.580	5.024	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)COc3ccccc3Cl)c2-c2ccccc2)cc1	408996087	KWOIMBMYBCYZRY-ICUTVXMZSA-N	578.068	7.171	50	40	KKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)o1	409014004	OLCRBGRJKLIXBX-KIBLKLHPSA-N	583.607	6.786	50	40	KKGB	
N#CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br	409014597	NFFYIYZDIYXWGC-RCLWOPNXSA-N	632.342	5.695	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	409032576	CMTCCSVHLXJODL-SFQUDFHCSA-N	630.053	5.312	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1	409045084	FKDAECVJQYKHJB-SFQUDFHCSA-N	510.775	5.666	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccccc1	409045847	IWJJOWYLSREBLJ-FYJGNVAPSA-N	548.437	6.028	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1OCc1ccc(I)cc1	409071876	QDXXGNKNXGIJKE-CPNJWEJPSA-N	504.368	5.186	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	409075237	QASVFROOOOWWPN-SFQUDFHCSA-N	517.390	5.705	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409083723	UIWYUEKOKGVICC-MHWRWJLKSA-N	590.308	6.501	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409118207	NKODCYHWUSJNDN-RDRPBHBLSA-N	528.074	5.481	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccc(Cl)cc1	409139237	AJYGDPFJGOODOE-KBKYJPHKSA-N	615.649	5.764	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(Br)c3)cc2c1	409187804	UMTHJKZTZAJFTL-DBFSUHOCSA-N	606.698	7.353	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)cc2c1	409190590	SOETXIHYEJOVNJ-NTFVMDSBSA-N	503.511	5.481	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	409219819	VGFHPCPMDYQKFW-LMMISBPPSA-N	560.053	5.231	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409223078	GFRLZCYJKOURSG-AQISJEJMSA-N	603.418	6.537	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	409223700	HTMPDASSVZCFCA-UHFFFAOYSA-N	542.389	5.685	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409253199	AVONELJTNOORAV-UDWIEESQSA-N	582.882	6.681	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)c1C	409262665	GKCRCIHOPRKYGC-XDHOZWIPSA-N	538.829	6.283	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409264603	LIMZSNHHTDAODX-QDTIIGTASA-N	591.833	5.351	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)c1	409271784	NCEILSGTKZUHKC-PPDIBHTLSA-N	515.353	5.300	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409273253	WPTKDZPUYIXLSW-UNOMPAQXSA-N	524.404	6.264	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1OCC	409311016	DDSIDZBZPNFIAE-RHANQZHGSA-N	586.426	5.606	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1OC	409316106	LJZIWZXVNYMFTB-WKIKZPBSSA-N	607.255	5.870	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1OCC	409322070	VYHFBEYANPCNTR-MNDYBZJGSA-N	578.290	7.062	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409327486	UPSYZYAKNCFPII-ACXHZZMFSA-N	574.461	5.971	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409366582	WPYNIRZPLQTMBH-LSCVHKIXSA-N	509.312	5.738	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409368845	PIYCPOWOANVLAR-RPPGKUMJSA-N	646.650	5.901	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(Br)cc1	409371143	BFCMAHUDAJKESI-ODLFYWEKSA-N	567.281	7.438	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1	409371785	OHWSEHVMXPYVTQ-GRSHGNNSSA-N	558.226	7.162	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(F)cc1	409373221	FXTOEGHVDYRVEH-ODLFYWEKSA-N	553.375	6.657	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409379617	YPIQSQWHYMSZQJ-KVSWJAHQSA-N	584.241	5.748	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409395254	LOYIZNZBWCTNBR-UHFFFAOYSA-N	567.001	6.996	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)[nH]c12	409396443	YKADAEBTJCFRQM-UHFFFAOYSA-N	669.757	8.152	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397240	HTSDPPFRNSPEJC-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397460	KCTRRLMNVBVAPX-UHFFFAOYSA-N	640.445	8.542	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397614	LWIUNOSLHUAUAL-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc5ccccc45)c(Br)c3)o2)cc1	409401030	GANBDFCTPBNBMX-FIBXFRIOSA-N	727.453	9.287	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(I)c3)o2)cc1	409404627	QLRWJSOINGIJEI-BJUCDSOZSA-N	677.455	6.730	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409405282	SOWQZCMHMSTORT-CAQPMQTCSA-N	548.039	6.647	50	40	KKGB	
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@H](CCl)OC(=O)CCCCCCCCCCCCCCCCC	504626970	FSIDKIWIEOGHHZ-CHIGYPFBSA-N	639.446	12.755	50	40	KKGB	
O=C(OC(=O)C(F)(F)[C@@](F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)[C@](F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F	885164019	BHMVWXMCQRLOHB-OCAPTIKFSA-N	910.127	10.485	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2C#N)c(OCC)c1	1529548777	NSFAIGWTSVEELB-ZEVLEAJLSA-N	706.619	5.183	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1	1790518	VAHIQGXNWQZIRI-OGCOBRASSA-N	556.902	6.432	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccccc1F	2738703	GWBPPANORMXRPY-HRXXRIAWSA-N	509.010	5.303	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(OCc3cccc(C)c3)c2)c1	3112170	BYCUMKOBHFHUJR-KBVAKVRCSA-N	554.559	6.042	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H]3CC3(c3ccccc3)c3ccccc3)cc2OC)c1	3117101	OAXJMOOQVQPBFU-LIVVUGFJSA-N	520.585	5.379	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC(=O)c1cccc2ccccc12	3232114	AFYYNMAWCXGHPZ-CPNJWEJPSA-N	550.920	7.285	50	40	KKGB	
O=C(Nc1cccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1)c1ccccc1Cl	6093686	NOPPHYVEAWKBRD-JVWAILMASA-N	539.038	5.219	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1	8384445	GWQWEYSIIOYKQK-VFLNYLIXSA-N	604.832	5.476	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccs1	13943678	QZLMYEBYYCKUTO-RDRPBHBLSA-N	500.576	5.562	50	40	KKGB	
N#CC1=C(SCC(=O)NCc2ccccc2)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	33353838	GLMGARYNSYHAJX-JQYIIUTOSA-N	592.064	5.623	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	59302751	FEMYWENFENBIED-JYRVWZFOSA-N	508.224	7.354	50	40	KKGB	
CP(=O)(COc1ccccc1CP(=O)(c1ccccc1)c1ccccc1)COc1ccccc1CP(=O)(c1ccccc1)c1ccccc1	95100908	BGZSDXOGJPEKPK-UHFFFAOYSA-N	704.680	9.081	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100124410	HAUMNRLLJHQLTK-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	100379411	ZZQJKWPIXONBNM-KCSSXMTESA-N	582.509	6.303	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)ccc1OCc1ccccc1	100852628	NCSZZOGVXOWLIM-ALQBTCKLSA-N	610.761	6.156	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cccc(Oc2ccccc2)c1	100853112	CVNPTVFVOLKICF-WGARJPEWSA-N	527.096	6.519	50	40	KKGB	
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1	100990786	XFURYMABJNNPLQ-HWLQVLAGSA-N	526.239	5.745	50	40	KKGB	
COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F	103592765	SOPUVCDECLALCY-IZZDOVSWSA-N	502.292	5.703	50	40	KKGB	
COc1cc(/C=N\c2ccc(-c3nc(Cc4ccccc4)sc3C)cc2)ccc1N(CCCl)CCCl	104089684	SJEVKVPCAAZXLL-RGXNXFOYSA-N	538.544	7.753	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	105437424	LMVNQLZKLYFJKG-OGLMXYFKSA-N	534.465	5.518	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C3/C[C@H](c4ccccc4)Oc4ccccc43)c3ccccc3n2)cc(OC)c1OC	108618554	QEAXNRRMKFEIGC-CPHGPRJOSA-N	559.622	6.586	50	40	KKGB	
CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341625	OJXYDDVSLVDPOA-ZDUSSCGKSA-N	928.337	13.652	50	40	KKGB	
Cc1cc(NS(=O)(=O)c2ccc(/N=N/c3cc(/N=N/c4ccc(S(=O)(=O)Nc5cc(C)nc(C)n5)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3OC(=O)C(Cl)Cl)cc2)nc(C)n1	150396489	XUALNUBWOUYEJQ-BSLTZQBWSA-N	959.682	9.537	50	40	KKGB	
Cc1cccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c1	150548367	LABQSXUMBRRKRM-RPPGKUMJSA-N	675.102	6.310	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	253531124	ZODHPXNJFNZLJV-BKFXXLQISA-N	597.722	9.946	50	40	KKGB	biogenic
O=C(COc1ccccc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408528739	WGLZAAVQKJLJON-LUOAPIJWSA-N	681.095	6.311	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408541064	DNZGPNVIGUMQPW-IMRQLAEWSA-N	523.633	6.063	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1ccc(C(=O)O)cc1	408543102	OXCHPPAHSWFCAS-NVMNQCDNSA-N	625.175	6.376	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C#N)cc3)c(Br)c2)c(C(=O)OCC)c1C	408547377	VUHOSGKKMBOTMB-WSDLNYQXSA-N	621.509	6.342	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408567976	HIKXSJNSYHGKAL-CCVNUDIWSA-N	577.953	6.689	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408647284	UYWGBJKCSJFZSL-ARESOWRYSA-N	570.300	6.306	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	408673241	QPHJMWDYSRVWDS-YGHIHULVSA-N	596.404	6.828	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408676179	GPDUWIBCPXLVPG-LQKURTRISA-N	557.286	6.155	50	40	KKGB	
COc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)nc4sc5c(c4c3=O)CCCC5)cc2)cc1I	408732213	PLTVFQUAJXCCBN-VFLNYLIXSA-N	724.362	5.616	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)c1	408746437	SQWJDZIOLYJTLC-ODLFYWEKSA-N	541.829	6.634	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br	408746488	DQQNCTAMXCRRKI-QPEQYQDCSA-N	542.611	5.353	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408751763	CCVSURAJKDEQFB-HYARGMPZSA-N	543.557	5.460	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1C	408755210	MWELTNSCNIGGSO-RCCKNPSSSA-N	576.531	7.368	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1cccc2ccccc12	408755439	NSSCQZIPDYSVTF-HAHDFKILSA-N	527.418	7.126	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)C(=O)Nc1cccc2ccccc12	408764487	IXINTOIUVIAIQB-LTGZKZEYSA-N	573.390	6.008	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408793684	PYCDTKACWQTKIR-GIJQJNRQSA-N	653.154	7.820	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794103	RJIGOTWYFZUSFU-OGLMXYFKSA-N	762.385	8.753	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1cccc(F)c1	408796994	QQSLPYIAINWLHS-ZVHZXABRSA-N	587.445	7.300	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccccc1F	408811799	LYXJADRUCBLSSG-SXGWCWSVSA-N	567.185	6.862	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	408825561	DUSPYTDEKNRHMT-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl	408826501	DOBOOKJGTPANLA-KNBZMSCYSA-N	595.858	5.989	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(Oc2ccccc2)cc1	408830947	OXAWZHIWCMYCMG-PPOKSSTKSA-N	579.678	6.127	50	40	KKGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1	408837218	AGSYENBLTYXXEW-QPEQYQDCSA-N	562.207	5.149	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccccc4Br)c3C)sc3c2CCCC3)cc1	408849078	UJBPOPNXXOMVES-VTNSRFBWSA-N	589.559	7.122	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408861552	SJOZVHDEQYTNEW-XSFVSMFZSA-N	513.937	6.535	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)c(OC)c1	408866680	HWOAJDKWWLUPBV-UFFVCSGVSA-N	511.405	6.121	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc(Br)c1OCc1ccccc1Cl	408871915	ZMQBHSMKZILBAB-JZNDDVEWSA-N	533.875	6.321	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408876156	NBDURZYWKZVSBF-VFIZEWATSA-N	565.262	5.975	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Br)c2)c(C)c1	408882163	LLISQQKLMHIRSM-CIAFOILYSA-N	524.256	6.965	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OCc1ccc(Cl)cc1Cl	408886304	GABUTGZKQOMBOW-KKMKTNMSSA-N	516.406	5.965	50	40	KKGB	
N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1cccc(I)c1	408889643	IIEJGLFFWWKKHE-RQZCQDPDSA-N	536.285	5.409	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1Br	408890011	MNPYSTVTGHGUGN-VCHYOVAHSA-N	590.699	7.307	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)c(OC)c1	408947548	BAPSZODPNHLHFJ-OUIUOFGZSA-N	695.567	5.156	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408962859	KMFIDPDSXYGULE-KLPHOBTLSA-N	637.223	7.358	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)c(F)c1	408965061	FWKHPGMDXIJJAM-FJEPWZHXSA-N	502.343	5.956	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	408972036	OPKABXWSAWWRRK-PFFBDVMVSA-N	629.338	6.661	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1cccc2ccccc12	408980641	RXCQUSVKUNDPEA-KKZOOENFSA-N	571.677	6.829	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1cc(Br)cc(Br)c1O	409004711	YDVSHRWFXVAROP-LSFURLLWSA-N	575.076	6.188	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409006405	NQAXKVMCIHNBQB-BNZSVZODSA-N	616.457	6.554	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	409027067	WARXJGGNZIYQGU-ZCTHSVRISA-N	549.096	5.656	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	409040217	HOGXIGXTJZAHDS-LALXJTNGSA-N	619.552	8.959	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccc(OCc5cccc(Cl)c5)c4)cc3)cs2)cc1	409047014	SZFVKRANMPLIKJ-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12	409049330	QJLKMUMQNMOBND-MMFILIDRSA-N	603.125	9.444	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409063344	ACVGAJPRXYOJLB-VCHYOVAHSA-N	500.860	6.182	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409176890	ACPPVPRKTSMBGN-VFLNYLIXSA-N	598.268	6.138	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	409185096	SDOKWUOSRZUDLR-IZYHBKOJSA-N	630.088	6.900	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc2ccccc2c1	409233196	RTGQENMUUZCLMM-LJUMEUDFSA-N	582.413	6.254	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)cc1Cl	409256376	OMCULCHIJCIPDA-MFOYZWKCSA-N	525.348	5.773	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(C)cc5C)cc4)cc3)cs2)cc1	409257635	SYUMRCJMDUFOIF-KMUKQRDJSA-N	589.721	7.260	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)c(OCC(=O)Nc5ccc(Cl)cc5)c(Br)c4)cc3)cs2)cc1	409257963	VHUPLXKLPDCENG-HTVDVWKISA-N	753.904	8.822	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1	409261512	DKNHFDJCUDQTEJ-SRZZPIQSSA-N	611.334	7.008	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1C	409262719	IVCHCCHUZJTEIO-LPYMAVHISA-N	595.437	5.239	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)c(OCC(N)=O)c(Br)c4)cc3)cs2)cc1	409265288	RVADBPNFAZDXCJ-FTCYSYDXSA-N	643.361	6.015	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409270031	NVHAPVJFVZHZOT-JAIQZWGSSA-N	538.431	6.572	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409309118	BRSVNZPTJZPKAK-MWLSYYOVSA-N	501.410	6.524	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)ccc1OC	409310849	CFFWBRMWTSSDDG-VYYCAZPPSA-N	597.871	5.050	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)ccc1OCc1ccccc1	409313016	AXMGBGZLSXSXQA-UHBFCERESA-N	576.949	6.300	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccccc1F	409319449	GHQQFWXNFPWFQQ-MUXKCCDJSA-N	578.378	5.189	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OC	409321450	GPOAQQCMMCIUGV-UHBFCERESA-N	559.432	6.127	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	409372783	KFQVCQMMHWSUQU-FDVSRXAVSA-N	597.263	6.545	50	40	KKGB	
O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	409380226	KXRRRHJYXLWTPK-PMACEKPBSA-N	681.325	5.328	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384669	FEVTZJRUZJXSII-RPPGKUMJSA-N	528.359	6.054	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)cc1OCC	409394827	GLGTVRGTEVESBX-UHFFFAOYSA-N	686.559	7.395	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1	409395360	MRCRDIYFVDHMLL-UHFFFAOYSA-N	684.772	7.655	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409395737	RDVCDOCSGOVPIL-UHFFFAOYSA-N	704.177	8.789	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409396737	AOGFPJKNCICSFP-UHFFFAOYSA-N	630.926	7.941	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4cc(Cl)ccc4OC)c(OC)c3)[nH]c12	409399164	YDCYOQJLNULDCB-UHFFFAOYSA-N	616.501	7.704	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccccc1F	409401819	IEHXGXOGJJRYBP-UHFFFAOYSA-N	610.642	6.195	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409402213	JATPBUWKGLGBOD-ZQDAKBDFSA-N	699.542	6.364	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccccc1	409402227	JFLPAPZWNAWZHC-VHFSBPNMSA-N	662.968	8.034	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409403247	MGHAUXXPPGGZLF-OHUYPAJKSA-N	552.631	5.856	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)o2)cc1	409406289	BHVSADGTZJXYKH-BDBHTARHSA-N	604.619	6.557	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc(Cl)cc3)o2)cc1	409408143	IUXDOPSVZNJBBF-TUPAWYIBSA-N	751.859	8.827	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2cccc(F)c2)cc1Br	1529546786	HQADSQLMRYMGRS-MOEPSENCSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(OCC)c1	1529549190	UVCKGGWAKBFAOC-BVIORAGMSA-N	763.054	5.807	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1870962	FNXYMHQCBYDBSC-FDAWAROLSA-N	559.692	5.500	50	40	KKGB	
N#C/C(=C\Nc1cc(Cl)cc(Cl)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	2283522	DPEVRPDHNUHYFT-FMIVXFBMSA-N	519.207	6.962	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	2289696	FPOFBWAIUZZUKR-CKVBZJJFSA-N	522.399	5.653	50	40	KKGB	
CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1Cl	2310766	CIRUYKPCYDVCSP-WOJBJXKFSA-N	504.395	5.333	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1cc(C2CC2)nc2ccccc12	2319910	UBODIQBSDGAWCU-MUFRIFMGSA-N	500.396	6.218	50	40	KKGB	
O=C(O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21	6445639	OTHQNINSJWIIPA-PYRBGSSCSA-N	525.970	6.240	50	40	KKGB	
O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc3ccccc13)N2	6475383	XQCNVVBTGRHNPQ-GAGBFILQSA-N	532.021	7.695	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	8384480	DQKIWHBJTGIGDX-QXUDOOCXSA-N	609.535	6.366	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)c1	8426421	NTPUPWQYOJHBNU-VZQSUIEHSA-N	526.958	6.450	50	40	KKGB	
COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(NC(=O)c4ccco4)cc3)c3ccccc3n2)cc1OC	8454635	GYUSDLIWCZQYQF-ALQBTCKLSA-N	534.572	5.918	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccccc1	8496987	OOYDZRXDPZZURX-PKRYOZTKSA-N	724.406	5.987	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1	9346110	APDBNANOAYXJFC-SFQUDFHCSA-N	505.361	5.956	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(NC(=O)c2ccccc2)cc1	15162790	DKCGQHVRJSLJDM-PPFNPFNJSA-N	502.618	5.651	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1	20233021	LVMPBCFVXRDFMF-DFKUXCBWSA-N	525.630	5.411	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	20348671	SMOQKWNKMDEMLY-HHHXNRCGSA-N	512.610	5.841	50	40	KKGB	
O=C(CCCc1nc2ccccc2s1)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	97981049	BXPRJYIJECQHDJ-KBVAKVRCSA-N	525.552	6.248	50	40	KKGB	
Cc1c(C)c(COc2ccc(/C=N/NC(=O)CC3(O)CCCCC3)cc2OCc2c(C)c(C)c(Br)c(C)c2C)c(C)c(C)c1Br	98002563	YTVZXGNCNKNPED-VWRJOHBLSA-N	742.593	9.372	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccc(Cl)cc3)=C(C#N)[C@@H]2c2ccccc2)cc1	98048517	CZVZFPDTLRXKOQ-NDEPHWFRSA-N	572.086	6.467	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1C	100127074	NZJUHZWBCREWLF-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1Cl	100226598	FAUPCRVUYYAMIQ-UNOMPAQXSA-N	558.803	6.468	50	40	KKGB	
COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)c1	100326289	PRCJKUSEDDSVKT-VFLNYLIXSA-N	549.458	5.204	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	100878823	JFYPOGCVSDVIOT-MHWRWJLKSA-N	514.821	7.500	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	103844156	WPKOLLQHPORFDR-NHDPSOOVSA-N	534.399	6.018	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	150343668	TVIVMKRJCGNPFO-GNUMAVNWSA-N	906.198	9.791	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795313	UDQMGDBQRRMELO-HTQZYQBOSA-N	902.074	11.141	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)ccc1OCc1ccccc1	408538641	AXLHTGMWVAWACS-KYHGBAKBSA-N	620.456	6.296	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)c(C#N)c1C	408546689	MTRAOOKMXFYOHM-WSDLNYQXSA-N	514.603	5.720	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	408551758	FWFHXSGQCDAPBP-LFVJCYFKSA-N	512.638	7.200	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553352	VISOCBWYMJUKKT-CXUHLZMHSA-N	603.325	7.846	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	408570679	XOENOEJGNNOHJY-VFLNYLIXSA-N	551.492	6.719	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)cc1	408578822	BGGNUTBBRCJZJU-LFIBNONCSA-N	509.208	6.588	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCc1ccc(Cl)cc1Cl	408611735	RYLBGQHOHDJSFB-IBBHUPRXSA-N	528.436	5.471	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408643205	FUGTWTIBVVKYBF-QYHHXZHLSA-N	622.741	5.055	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1cccs1	408661566	XJAVEGCGXJZPCE-MVXJNQHVSA-N	635.161	5.073	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408685944	QNVDBAWLEZPNPB-FZDBZEDMSA-N	634.108	5.381	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(I)cc1	408711945	RULANICHRGDLOE-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747448	OBARFSADRFQYLJ-YVLHZVERSA-N	577.191	6.317	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc12	408749044	KLDNCNUJPYJBBH-MUFRIFMGSA-N	595.393	6.094	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408753468	IYXOCOICTCQYSE-IUXPMGMMSA-N	635.106	6.797	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408759163	ZAZHVGJHTAOVDE-GDNBJRDFSA-N	592.811	5.333	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408777062	UKBPWAOEMCQYDD-STZFKDTASA-N	615.899	6.924	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(OC)c1OCc1ccc(Cl)cc1	408783920	OQVTYIOFVPAPFJ-IWIPYMOSSA-N	517.025	6.989	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccccc1Cl	408792770	CCPOCSLMDPGAPN-LZYBPNLTSA-N	638.643	6.740	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OC(C)C	408795326	BXAXFGPMCIOGKG-MHWRWJLKSA-N	506.340	5.031	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc(C)c1OCc1ccc(Cl)cc1Cl	408844307	BZJDXWJJCQRGNZ-ORBVJSQLSA-N	601.122	7.184	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc2c(c1)OCO2	408854541	HVTKCLPLMGKYHK-FXMZOFOKSA-N	602.235	6.038	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(C)c(C)c2)cc1	408857181	JWYJAQYXPPRQKS-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	408857440	GNWQHDWPUZXHPU-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c([N+](=O)[O-])cc1OCc1ccccc1	408858581	UEWXMICSIHFXNW-ZXSNDDASSA-N	560.610	6.712	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	408870678	UGPKBAMSIQOCKS-UZWMFBFFSA-N	562.091	5.827	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc3ccccc23)cc(C(C)(C)C)c1O	408886413	GXNGYMWQWBVWJJ-FDALDRLYSA-N	629.595	8.205	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OCc1ccccc1Cl	408891642	UGEVUIHKMAALCJ-OKCVXOCRSA-N	584.841	6.839	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OCc1ccccc1	408904895	QBWZLUACANORJJ-NTFVMDSBSA-N	508.416	6.229	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C#N)cc2)c(OCC)c1	408940586	CNAOCYFJYUXHHI-SSEXGKCCSA-N	662.168	5.074	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)c(OC)c1	408955161	ODLPXTUAFGFEMH-JRUUSQMTSA-N	709.594	5.464	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Br)cc1	408964747	RVYBBMUGZVOQBS-VVEOGCPPSA-N	647.229	6.814	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12	408968958	DRMMNNJCFUHGOY-OGJSRLNOSA-N	670.593	7.379	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccccc1F	408982556	HQBWMTKNVXLLKW-GRSHGNNSSA-N	543.820	7.073	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)ccc1OCc1ccc2c(c1)OCO2	409000895	ZWFARRQFWPFOIF-LSJKGLAVSA-N	727.577	5.038	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4c(OCc5cccc(F)c5)ccc5ccccc45)cc3)cs2)cc1	409037539	CXOCTOSGBYDNCH-HASSKWOGSA-N	586.692	8.497	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409038160	DTCBSTPIGGSREV-KCSSXMTESA-N	522.605	7.036	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1	409055378	IFZQRTYQCKJSPJ-CXUHLZMHSA-N	564.636	7.129	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl	409064433	DKGSRTQPJUBNAK-NTEUORMPSA-N	542.227	6.614	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409082651	SZEVEKATCTVNPA-KGENOOAVSA-N	528.521	6.277	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409089457	IMFPOPAPAPAYAO-OQLLNIDSSA-N	641.315	7.094	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1cccc2ccccc12	409126715	FPBADSNYEDVDQA-HHHXNRCGSA-N	590.417	6.346	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(C(F)(F)F)c1	409163931	ZYAZUZNFEPMBCA-PNQUVVCRSA-N	553.324	5.119	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1	409200438	IGZCQQQOLSMODE-MZJWZYIUSA-N	533.875	6.323	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409218877	ICFPJRPRGNRHJA-UHFFFAOYSA-N	611.279	6.991	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)c1	409225897	SIURHZGSUVTERR-UHFFFAOYSA-N	641.305	7.000	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccco4)cc3)cccc2[N+](=O)[O-])cc1OCC	409227350	ZNJFNTRLISMWES-MNBJERMJSA-N	586.557	5.221	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409271591	VGQVDUVSADHZMP-QORIIEMTSA-N	500.357	5.215	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409271957	WSMBDHCPGWBYQL-UUYOSTAYSA-N	518.013	6.145	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)cc1OCC	409322917	LYSIUYXFRUSYRV-LJUMEUDFSA-N	620.459	6.359	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(Br)cc1	409348075	QHDKJAWKQBIJFV-BRJLIKDPSA-N	567.075	6.317	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409363629	LMYONFIZHPRDER-AEVGBRMKSA-N	658.155	7.835	50	40	KKGB	
CSc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1	409369493	PCRVHPVBOBFSNM-WKIKZPBSSA-N	601.375	5.819	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(F)cc4)c(I)c3)[nH]c2c1	409373384	IMHRDBDFAOMCRH-MFOYZWKCSA-N	635.218	6.863	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409390414	CXVHUKUYHRLFRJ-FJEPWZHXSA-N	567.281	6.506	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409397060	FSYQDFZINPRGKJ-UHFFFAOYSA-N	675.288	8.906	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl	409397145	GUQJTCDGLLPLTI-UHFFFAOYSA-N	684.317	7.738	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409397172	HBRXPLKQEPLNNC-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OCC)c3)c(-c3ccccc3)c2c1	409397752	NQNPHLNSNFPWJM-UHFFFAOYSA-N	582.056	7.269	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397799	ODZPKSOTSQQJFL-UHFFFAOYSA-N	596.481	7.206	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4cccc5ccccc45)c4ccccc34)o2)cc1	409401638	HWWNFLRMBAOFLU-LMOHNTGSSA-N	606.726	8.495	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)N1CCOCC1	409405358	SYPLRCDTRBQZBR-UHFFFAOYSA-N	665.541	5.039	50	40	KKGB	
COC(=O)COc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409407264	ZFIAQUKMQDBBIZ-BVMLUPFRSA-N	610.461	5.353	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1C	681257	XIEVIBMQECCSRB-BRJLIKDPSA-N	511.332	5.284	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Cl)c3Cl)C3=C(CCCC3=O)N2)c1	1000430	MKXBTWMRLVEPSM-JOCHJYFZSA-N	514.434	5.803	50	40	KKGB	
CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	1795163	ZNQQBAJYWMWXRJ-KNTRCKAVSA-N	578.488	7.393	50	40	KKGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21	2056790	RGWKFKNACNVWSQ-LVYIWIAJSA-N	511.581	5.953	50	40	KKGB	
CCOC(=O)C1=C(CP(=O)(c2ccccc2)c2ccccc2)N(C)C(=S)N(C)[C@H]1c1ccc(Cl)cc1	3339702	QEQSBWCSTWYUEC-SANMLTNESA-N	539.037	5.375	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cc(I)ccc1Cl	3669417	OZYWJQWPKNFHEK-KIBLKLHPSA-N	518.660	5.987	50	40	KKGB	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccc(F)cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6089772	VWDTXEBNSJBNJV-CWVZODRYSA-N	544.004	7.079	50	40	KKGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2	8410818	SQDRECULYCZQAG-HVHCOODDSA-N	520.662	6.010	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3C)c3ccccc3)cc2)cc1	8861191	PXEYJOHSOBHURJ-HIQWWTPOSA-N	512.631	5.548	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	9200619	LTUKAFUDCAIPAE-DHRITJCHSA-N	502.206	5.863	50	40	KKGB	
CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)cc1	16700886	QIKDIBVVUGNPOE-XHPQRKPJSA-N	505.622	6.117	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCc2cccc3ccccc23)N1	19939883	DAZYEPGVUDQXCA-AREMUKBSSA-N	503.067	7.464	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2C)cc1	20243720	XGDFSXBVNOCCRH-KBKYJPHKSA-N	509.231	6.001	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N\NC(=O)[C@@H]3COc4ccc(C(C)(C)C)cc4O3)cc2)cc1	30904683	YLHPBKIJKDVEOL-HOFFDHMBSA-N	514.622	5.791	50	40	KKGB	
CCCCCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3cccc4ccccc34)c3ccccc32)cc1	46085096	UBBRICNYVDRCJW-NMSHJFGGSA-N	521.617	5.855	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccccc1F	59333299	NOHOOMHUKACNJJ-XHPQRKPJSA-N	511.597	5.398	50	40	KKGB	
Oc1nc(-c2ccccc2)nc(SCc2ccccc2)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	96022587	IGPNYOQXCJTGEK-UHFFFAOYSA-O	555.663	6.761	50	40	KKGB	
Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1Cl	97965554	PSHDFNOGXTXDLH-GZRWOLOWSA-N	650.755	5.572	50	40	KKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2[N+](=O)[O-])cc1	98001331	YTDOEEHCBGRKRM-AWSUPERCSA-N	531.653	7.457	50	40	KKGB	
C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)COc1cc(C)c(Br)cc1Br	100030139	UGMJBKLRUROEJJ-WGOQTCKBSA-N	539.268	5.345	50	40	KKGB	
Cc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(\C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)c(C)c1	100101460	VVFHERLXPOSIID-BNRUPHNUSA-N	608.163	7.851	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100122750	XWIYVDAHYYJQRB-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)c1ccc(Br)cc1	100858561	XFCJZZJEHCNWEE-MBTHVWNTSA-N	586.309	5.543	50	40	KKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1OC	100879111	DVHFEXQWXYXJME-DEDYPNTBSA-N	540.483	6.620	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C(=O)OCC)cc2)=C(C#N)[C@@H]1c1ccco1	101156051	CXJUPQJTCWARAL-RUZDIDTESA-N	557.628	5.225	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/C=C/c2ccccc2)n1-c1ccccc1	102436679	QPVYKWIVQROQOE-JSZPWURYSA-N	622.536	6.088	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)CS/C(Nc1cccc(Cl)c1C)=C(\C#N)c1nc2ccccc2s1	102931125	CWLFDUFCBSSRSK-SGWCAAJKSA-N	547.149	8.059	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1)c1nnc2n1CCCCC2	102945042	VFKHLXCBVWMENT-RELWKKBWSA-N	528.534	6.974	50	40	KKGB	
N#CN1C[C@@H](CCI)[C@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1	103612714	MGNDUMCWTJYJSU-HTQZYQBOSA-N	582.142	5.969	50	40	KKGB	in-vitro
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1cc(Br)cc(Br)c1O	103870039	BQUDMONPUQTZCC-LSHDLFTRSA-N	542.025	5.234	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccccc1F	103882291	DNSQTSRAFIZZHX-JAIQZWGSSA-N	542.348	5.241	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	103902027	LZWPPTAMGMPGKM-KCSSXMTESA-N	611.507	5.357	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341795	AGPPLHDXJQVLSS-GOSISDBHSA-N	748.437	12.426	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1	150419408	MMUPWKSDAIGBPM-FZPRHHONSA-N	643.549	5.773	50	40	KKGB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Cl)cc3Cl)C2=O)SC1=S)NNC(=O)c1ccc(Cl)cc1Cl	150453653	NXUGYFNRHDGBLC-QURGRASLSA-N	808.600	5.015	50	40	KKGB	
COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@H]2CCC[C@@H]2[C@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1C	211060512	GWUJDUKNOAFEOH-RVPZZOBJSA-N	638.813	9.294	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	245227067	YFWOQBGFDUWONH-RJTBBCIVSA-N	564.085	5.819	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Cc3sc(C(=O)OCC)c(C)c3C#N)c2C)cc1	408546001	BSOWKGQQPUBKPB-LPYMAVHISA-N	529.618	5.408	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1cccc(C(=O)O)c1	408550993	ACCHFZJGTRDDPN-RGVLZGJSSA-N	653.498	6.325	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408552615	RNWCODIHHFUTSI-NSIKDUERSA-N	658.561	7.735	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552898	LMKXCCFEPVGTRD-CXUHLZMHSA-N	530.795	6.219	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OS(=O)(=O)c1ccccc1	408579948	LVXBPKMDQNDNSZ-LDADJPATSA-N	565.816	6.175	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408580643	QGKISEQXJGUVSV-WOJGMQOQSA-N	565.816	6.094	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408637740	AXVFJRNNKQGMEY-MHORFTMASA-N	651.566	5.809	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408649546	LFCIPTNNLZFXQB-GHMQEZDJSA-N	731.781	6.059	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c3ccccc3Cl)cc2)cc1	408665308	DMXZNUARCSYFAZ-UHFFFAOYSA-N	552.027	5.153	50	40	KKGB	
O=C(NNC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccccc1Cl	408672110	ZMHJWLZYPSGOBG-VERLUNMRSA-N	644.942	5.306	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408675893	CDYMGEWGQVXFBO-BIZUNTBRSA-N	514.025	6.445	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cccnc1	408723489	VSODAILNWNTMHT-KIBLKLHPSA-N	617.612	5.287	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1	408727088	YHENMGCLGTZWQG-STZFKDTASA-N	521.411	6.371	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)c1	408746671	VGIAEMKRYNJURS-ODLFYWEKSA-N	572.374	5.962	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCC(=O)OC	408754180	MHFMLRPGKMKNJZ-SXGWCWSVSA-N	534.204	5.038	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)Nc1ccc2ccccc2c1	408755189	QAWRXSIZQFGHTG-FYJGNVAPSA-N	516.384	6.710	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408765876	RFJBYLCUMJLQFM-QNGOZBTKSA-N	573.472	7.462	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408786873	WYJLORIABLKXJO-JCMHNJIXSA-N	581.308	6.046	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(I)cc1	408791594	ZFPJEQNSNATBKO-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1	408797417	RNWITHCPFUZAHB-QGMBQPNBSA-N	520.243	8.042	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(C)cc3)cc2Br)cc1	408797624	SDPOIUJEQLJSQX-OEAKJJBVSA-N	563.448	6.458	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408799512	ZJUAZRRSRNPTRI-RQZCQDPDSA-N	562.247	6.985	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccccc1F	408808143	DULCKBNAARCLLE-SXGWCWSVSA-N	622.188	6.226	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCc1ccc(Br)cc1	408834693	WWPNXMSZYZOYDY-YBFXNURJSA-N	571.855	6.643	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	408841064	FJNCOYSKKIKKBU-RVDKCFQWSA-N	712.342	7.401	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1ccco1	408847946	VZMCTMCIRWDXBQ-UXHLAJHPSA-N	511.534	5.222	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408858122	MIFAJVWIEORXME-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c(Br)cc1OCc1ccc(F)cc1	408859092	SPZKNMDIBCYFQO-KVAAJVFYSA-N	624.576	7.678	50	40	KKGB	
Cc1c(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	408860217	WUTHRYZWGBTFEN-RVDKCFQWSA-N	649.387	7.816	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1Br	408879907	HUJICCQNYXOWGI-VXLYETTFSA-N	604.726	7.697	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1cc(C)cc(C)c1	408883158	TWXFTVOZQBZLED-YDZHTSKRSA-N	566.439	6.740	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl	408900565	WDGAJKPHBXTRII-OVCLIPMQSA-N	526.634	8.078	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1C	408943621	HXAJTSSIXAUDSS-UUWRZZSWSA-N	724.909	6.172	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408945027	JZZUPUZRMHNGHR-GDLZYMKVSA-N	750.499	6.619	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cn(Cc3cccc(Cl)c3)c3ccccc23)c(OC)c1	408947131	ALAULWZFKKXSCQ-SNWGEUDMSA-N	630.101	5.072	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Cl)cc1Cl	408948512	PGEMMSLVKGBHHL-WJOKGBTCSA-N	697.641	6.195	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1cccc(Cl)c1	408953752	YASQJNAVNVIJDL-MHZLTWQESA-N	844.897	6.013	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408956270	QGNZMCSVCBGFPE-NAWMDJKCSA-N	799.300	6.826	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(F)cc1	408982066	FLPTWTFBOFRLGW-GRSHGNNSSA-N	543.820	7.073	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409019690	WSDBUDAQQDYTCT-NNYSGZSQSA-N	695.043	7.610	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC	409020551	QKCVPRUEWHNYIZ-PIRQNGBVSA-N	725.754	6.966	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)cc2Br)cc1	409023194	UORBZJZDORDQJC-QDTIIGTASA-N	540.801	5.939	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cccc(C)c2C)cc1	409028072	JMURHDDYQGULKK-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OC	409046873	LCSQLHDDVAYRCS-JFLMPSFJSA-N	537.357	5.288	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2cc(Br)ccc2O)c(OCc2ccc(I)cc2)c1	409062833	BKQYHDWCLOHRSC-MBTHVWNTSA-N	622.301	5.948	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409067940	DWMGRBBAMPTRBG-XNTDXEJSSA-N	518.334	5.215	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl	409067994	FGGBPAPGOUBZCB-NTEUORMPSA-N	542.227	6.614	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409074869	NJMQQNMFDLGABT-VXLYETTFSA-N	544.913	6.580	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079572	KZUHTEWLGUOTQQ-CXUHLZMHSA-N	566.273	7.083	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(C)cc1	409086140	FTOPCKQMQATGSE-XMMPIXPASA-N	521.367	5.292	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1	409152602	KJWWIEUBEVDBJT-VTNSRFBWSA-N	625.520	5.360	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1Cl	409159021	YTPSLGKOHLCNDE-VPUKRXIYSA-N	675.694	5.366	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409170737	XMOQMDOVOJTPNA-MHDJOFBISA-N	676.939	5.251	50	40	KKGB	
Cc1c(-c2ccc(/C=N\NC(=O)[C@H](CC(C)C)NC(=O)c3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-]	409172165	IWTRVEDXNXXWGX-HWSJQMDSSA-N	531.396	5.765	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OC)c3)c2)c1	409221906	BMSANTSQBKVDMC-QJALSTBGSA-N	594.580	5.247	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SCCS1	409251984	AVTKYJBGXDOLQZ-KIBLKLHPSA-N	613.224	7.134	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409260204	MMZVDHGAQWKECJ-QDTIIGTASA-N	636.284	5.461	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1OCC	409302755	JYPHRCLYLXCHBL-RHANQZHGSA-N	652.507	5.327	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)ccc1OCc1ccccc1	409315862	OTTPRPOGUBRXDD-MNBJERMJSA-N	510.546	5.315	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)ccc1OCc1ccccc1	409322331	JYDLWUYXAJVKQU-KYHGBAKBSA-N	563.423	6.519	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1OCC	409327545	UYOVUUXZUPGSMH-MNDYBZJGSA-N	533.839	6.953	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccccc1	409331441	DFEXUNXPHPHPMP-DICXZTSXSA-N	560.388	5.050	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OC)c2)ccc1OCc1ccccc1	409331489	DJAKOKPTMWYQFF-CAQPMQTCSA-N	514.553	5.765	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)ccc1OCc1ccccc1	409335927	QJYRWOPRKWRASA-ZXSNDDASSA-N	516.597	6.770	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409359263	AXJJENWXEBQRPT-KKMKTNMSSA-N	547.793	5.161	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409373595	QZGCIUICQCCGIG-IPPBACCNSA-N	707.262	6.309	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409394529	BQVJYWKYFYSQFG-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)cc(OC)c1OC	409394708	DYASUZJANGRUKE-UHFFFAOYSA-N	721.402	7.677	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccccc1	409395625	PYLLJOOQWOFSGA-UHFFFAOYSA-N	588.461	7.734	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409396291	XNHXTUVLXCHLRO-UHFFFAOYSA-N	775.635	8.667	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396783	BCTVLCMEIBMOIM-UHFFFAOYSA-N	611.054	7.395	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(I)cc4c3-c3ccccc3Cl)cc2OC)cc1	409396784	BCVUGLAHULMHLX-UHFFFAOYSA-N	679.898	7.093	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409396955	DIIYENSBOOVDTR-UHFFFAOYSA-N	531.612	6.779	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409399127	XXHUPXOAJAVWAV-UHFFFAOYSA-N	585.582	7.544	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1cccc(C(=O)O)c1	409402282	JPNIMYWWWUMDSU-QJOVZPHJSA-N	607.663	6.706	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)cc3)o2)cc1	409402391	KAIACARQPWCCAJ-VHFSBPNMSA-N	631.516	7.354	50	40	KKGB	
CO[Si](CCCNC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC	627276264	UNYPRTCZVBILGW-UHFFFAOYSA-N	569.387	5.110	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1	2096888	MCDSIJVDVFTZGO-FDAWAROLSA-N	522.634	5.284	50	40	KKGB	
N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)s1	2188868	DAMSYIQFQXBSHW-FQEVSTJZSA-N	511.470	5.627	50	40	KKGB	
N#C/C(=C/Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	2277367	RMHSRMJRIYCUHP-XFXZXTDPSA-N	518.860	6.473	50	40	KKGB	
Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc31)C(C#N)=C(N)O2	2399869	QYXBEGBNOBAJGA-MUUNZHRXSA-N	528.399	5.407	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	3361270	WKARRBUICRWNAS-JVWAILMASA-N	538.423	5.176	50	40	KKGB	
CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1	8836973	CTXNYIFWWPRHQC-BRPDVVIDSA-N	513.623	5.109	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	19947239	ZUNJDQMZHSWGOL-RUZDIDTESA-N	524.086	6.366	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)c2C)cc1	58915035	NLBIORHLVRMIQF-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccccc1	59565503	NLIGTBSLJXCDHV-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1I	97962006	PFXQNDCKTRHNRX-GZIVZEMBSA-N	603.025	5.754	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c1	97965514	ZBHZFJHURLGLJU-YBFXNURJSA-N	650.254	6.419	50	40	KKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1	98048477	AVBLUUNYORGFAU-MUUNZHRXSA-N	544.120	7.481	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(F)c3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048750	YMGJKTNAGCICCL-MHZLTWQESA-N	544.608	5.246	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccc(C)cc3)=C(C#N)[C@H]2c2ccccc2)cc1	98048892	KUIGREYAWSMLNU-GDLZYMKVSA-N	551.668	6.123	50	40	KKGB	
COc1ccc(OCc2cccc(Br)c2)c(/C=N/NC(=O)COc2ccc(I)cc2)c1	100027810	KOFFHJLDIVTQRQ-LGJNPRDNSA-N	595.231	5.170	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1)c1cc2cc(Br)ccc2o1	100054724	XJOPJKOOPJLKPH-ZMFRSBBQSA-N	528.200	6.301	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1Cl	100062789	VMYLVFKHRQUDBC-WKIKZPBSSA-N	522.226	6.036	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1	100474779	UMTWTMQWIJMCIR-IBBHUPRXSA-N	589.605	6.650	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	101566035	RHCDREHBDFFHSK-PMERELPUSA-N	570.114	7.028	50	40	KKGB	
CC(C)C[C@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	102021136	HZPHPXJDIYUAJY-LLVKDONJSA-N	520.152	5.825	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccc(Cl)cc1Cl)N2	102681470	XMQITQVBHLNMNB-LOULNAIUSA-N	547.891	8.143	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccccc1Cl	102719223	FYDBOQRXWXDJOR-HHHXNRCGSA-N	613.061	7.074	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)COc4cccc5cccnc45)c3C)sc3c2CCCC3)cc1	103875610	UVGJIIMLOXZIEA-ODNPBWNPSA-N	591.737	6.672	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1Cl	103888844	KUPVQLWFPCIJEJ-SXGWCWSVSA-N	613.666	7.385	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccccc1Cl	104402171	DIHPRJZNGQOQMW-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c(C(=O)OCC)c1C	108977526	IEURMFISCUZUCT-HYARGMPZSA-N	561.612	5.406	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](Br)CBr	150341080	ZYFLRTOFRKYGGJ-UWTATZPHSA-N	605.908	7.154	50	40	KKGB	
CCN1c2ccc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc2C(C)=CC1(C)C	208503772	DYZGFBICXGDGSJ-BRJLIKDPSA-N	521.253	5.703	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	216063815	QFOKOODQFNYQOA-FJEPWZHXSA-N	627.306	7.128	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)Nc1ccccc1	217039459	WPQBUXQGRHKYME-OGLMXYFKSA-N	523.014	5.480	50	40	KKGB	
Cc1cccc(OC(=O)c2ccc([Si](C)(C)O[Si](C)(C)c3ccc(C(=O)Oc4cccc(C)c4)cc3)cc2)c1	253574464	SQOPEGINFRJVOV-UHFFFAOYSA-N	554.791	6.283	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1C#N	408541060	DNUIIHADFRHGTL-JJFYIABZSA-N	550.352	5.903	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408549755	YITUFWIDECNTFN-KSEXSDGBSA-N	508.832	8.842	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)ccc1Br	408553350	OEADNIQRERTRJJ-XDHOZWIPSA-N	519.468	6.523	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccccc1Cl	408567959	HEAXLDALUJRKCD-FJEPWZHXSA-N	622.006	7.088	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408607724	NWLWOIZHJREFNN-SFHVURJKSA-N	544.435	5.476	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408681329	HSRRTOAEKYHXDV-XVMGYKCHSA-N	601.122	5.329	50	40	KKGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC	408726617	UKZZHKGUBCOPBH-WJDWOHSUSA-N	506.340	5.033	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1cccc(I)c1	408728835	VBZZQAHGFFHFBI-RUMWWMSVSA-N	657.961	6.803	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(Br)c1OCc1cccc2ccccc12	408742368	WGXLHDVBAWNXCJ-MWBNBJEGSA-N	616.943	8.015	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747762	SRMAROIJCZIEBR-YVLHZVERSA-N	546.646	6.990	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1cccc(C)c1	408750174	LCMKKZCFLVFCGK-BIZUNTBRSA-N	515.009	5.622	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccc(C)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751277	ABCFPODCKKLGBW-SYUSAXASSA-N	511.691	6.604	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1cccc2ccccc12	408764185	LOZQWIGIGKCOCL-CIAFOILYSA-N	592.287	7.498	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408791446	YYLLOMXKLUOURC-MTJSOVHGSA-N	550.409	6.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408793682	GCRXEOXDMVUNLF-WGOQTCKBSA-N	511.021	7.579	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1	408801949	WZGOOMRKRJTQSD-GIJQJNRQSA-N	501.797	7.170	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1cccc(Cl)c1	408803080	LBUGNMIBZFACBD-SRZZPIQSSA-N	586.857	7.085	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)OCc1ccccc1	408816912	UTEIYZPJFAPQRG-HEZBAJEJSA-N	615.517	7.042	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2	408820370	XIIPDBJNJDKVRV-CLHYIUPASA-N	652.545	7.686	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(C)c(C)c4)cc3)cc2)cc1	408830161	YEUSMVWRAREHSO-VUTHCHCSSA-N	502.614	7.316	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408830897	GPDCFWAAMFQINC-OEAKJJBVSA-N	682.796	8.577	50	40	KKGB	
COc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408833882	ZWEIJLDOIGCSHP-UVHMKAGCSA-N	533.806	5.228	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc2ccccc2c1	408838143	CJAVJWWTPNVCBC-HASSKWOGSA-N	619.146	8.712	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408840027	XAGAWBGKAMAFKJ-NOPDUFPGSA-N	802.353	10.183	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc2ccccc12	408849152	VGHLJMVQQDCXRR-FZSDHLTPSA-N	658.596	9.110	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408869450	RXGQSFDUFZOLOG-KKMKTNMSSA-N	529.993	5.383	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1Cc1ccccc1Br	408870394	VDQURNPASLFMEH-VCHYOVAHSA-N	585.252	6.655	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408876896	QWYIOBVIQAMJBG-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Br	408880336	JJSYHMIGUUZSKU-VCHYOVAHSA-N	546.248	7.279	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc2ccccc12	408881305	MOXHXHUNKVNRAM-DEDYPNTBSA-N	586.398	6.592	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408884160	XWJPVAZGTXCQHX-XSFVSMFZSA-N	527.374	6.376	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408894681	IRIJVMYTPSIYNW-LICLKQGHSA-N	699.215	6.913	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Br)cc1	408921760	BVEVSUDRTXTWNA-CPNJWEJPSA-N	554.422	5.029	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408942056	FIBYNWHWANAHML-HHHXNRCGSA-N	696.440	6.764	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	408965309	VOKBXIUYJRXXDJ-YSURURNPSA-N	504.100	5.006	50	40	KKGB	
COc1cccc(OCCOc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2OC)c1	408968891	CLSDHHPJVXSOAL-DEDYPNTBSA-N	537.410	5.778	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl	408968924	CVFVXTPDIAFHAT-QIMIDQGYSA-N	625.380	7.328	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408970585	IVNXKELIIKTCHC-MOUCIZBNSA-N	747.901	8.032	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408970893	AEUNWSYZIGCQMT-GMYUFSHDSA-N	704.276	8.090	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl	408971669	LFLJTQAOTGCQAZ-SKLCVJKWSA-N	600.543	6.340	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c(Br)cc1OCc1ccccc1	408979812	OQBGJCTUQAHRKQ-IADOGKPESA-N	636.568	5.905	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(F)cc1	408982445	HATKXICOPPWFBO-ZDLGFXPLSA-N	529.793	6.683	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408988894	RZPZBISQIOHKRR-WQRHYEAKSA-N	516.222	7.189	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1	408997892	OZZAUNVOFBBSHJ-SEOSEFJPSA-N	568.427	6.084	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1	409015546	OBZDXCMBRGZZCB-YNFMAFFXSA-N	524.360	5.348	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Br	409024399	KRTJYJBTBYKRKW-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409063561	CIMXQYFHJVYNSP-LFIBNONCSA-N	606.825	6.316	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCc1ccc(Br)cc1	409064281	CMCZSDDGLLIFKT-PXLXIMEGSA-N	514.423	7.096	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	409065343	KRIFVAHUEVAACF-LFIBNONCSA-N	547.814	5.424	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OS(=O)(=O)c1ccccc1	409066614	BCCDRPZJVVYJEA-CPNJWEJPSA-N	588.423	5.312	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409143908	OKSUFNQHYWOURG-NRFANRHFSA-N	562.645	6.368	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	409184963	ITZWUGSORGMYAD-VVEOGCPPSA-N	643.387	5.877	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4cccc(C)c4)cc3Br)cc2c1	409186607	FLPIPSPNNSDKHM-UHBFCERESA-N	551.437	6.644	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409211667	NPVNLCGKQYXOSO-WQRHYEAKSA-N	527.274	5.751	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1	409212530	QVPHMALQDAFOEC-KKMKTNMSSA-N	506.386	5.392	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)cc1	409220215	ZLBVBQCHAIODJG-UHFFFAOYSA-N	739.373	6.390	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc(OC)c1OC	409225119	PBQRVZDTGMWQMC-UHFFFAOYSA-N	567.598	5.256	50	40	KKGB	
COc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cccc2[N+](=O)[O-])cc1	409226877	WIMCZHPCAZJUGY-LJUMEUDFSA-N	572.961	5.492	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409232944	JETTZSJXMAKHCK-MUXKCCDJSA-N	519.798	5.912	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1	409252806	TYHYNTCHPIUNHA-MTJSOVHGSA-N	592.446	5.424	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409254908	JSUJTUNNQWKDJC-VHFSBPNMSA-N	731.616	7.565	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409260843	XLETVAHGBNGFNO-VYYCAZPPSA-N	530.806	5.283	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409318277	YAQSZDAJXDCQJV-VQTJNVASSA-N	603.311	5.809	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409322920	LZVURARAONMYRB-FCHUYYIVSA-N	562.475	5.119	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409326044	FYBJYAKMFGJRGX-MBTHVWNTSA-N	664.409	5.860	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	409335327	VJYLPNDMZJBEQT-FZPRHHONSA-N	578.452	6.362	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)cc1OC	409362428	JKOZJMYCDBUYLF-VYYCAZPPSA-N	562.258	5.501	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1	409370741	UACCHNDFTTWMNP-GOTSBHOMSA-N	711.568	5.006	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Br)c2)cc1	409379915	CBLNPCCNRZVMDK-PDGQHHTCSA-N	508.347	5.460	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409385197	IJLCTAPSGPCMSE-LUOAPIJWSA-N	626.259	7.064	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397398	JLFHZNISGURFBJ-UHFFFAOYSA-N	507.546	6.118	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397578	LLBSRNWFMNEWMV-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)o2)cc1	409400095	BIHBFQORRNUURP-GZOMZLSJSA-N	625.556	8.648	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1O[C@H](C)CC	409403157	LYWGBYZRCARFRW-LNUPBTJSSA-N	574.634	6.514	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2C#N)c(I)c1	1529547552	LSXTXFZBSMBEBT-GQQDTJLESA-N	788.462	5.389	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1	2408565	AXOOJEYTOTVFQL-GHRIWEEISA-N	535.387	6.046	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)nnc2-c2ccc(Cl)cc2)cc1	2613123	PTNLYFSVKDHLSP-FMFFXOCNSA-N	584.101	7.021	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1	3103005	GLQZCJZOYFAPIH-FJEPWZHXSA-N	581.264	6.146	50	40	KKGB	
CN1/C(=C/C(P(=O)(c2ccccc2)c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21	3205429	VGZYPNFTBCVVLW-AWQADKOQSA-N	587.640	7.652	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(COc3cc(C)ccc3C(C)C)cc2)cc1OC	3251215	YOZJILOVYQSXAI-FDALDRLYSA-N	588.708	7.331	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCOCC1	6445688	QCEZKCHLIFIBQP-FXRJOTQOSA-N	595.077	6.014	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	12364972	DYLCSYGEKZMQSE-FDAWAROLSA-N	531.609	6.057	50	40	KKGB	
Br[C@H]1CC[C@H](Br)[C@H](Br)CC[C@@H](Br)[C@@H](Br)CC[C@H]1Br	49776251	DEIGXXQKDWULML-FPRGPCMUSA-N	641.700	6.922	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	59254483	WYVMHNVBYQBBON-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)cc2)cc1	59853294	QTSGNOXLWZUOQS-ZCTHSVRISA-N	531.609	5.059	50	40	KKGB	
COc1ccc(-c2c/c(=N\NC(=O)CCNS(=O)(=O)c3ccc(C)cc3)oc3cc4c(cc23)CCC2(CCCCC2)O4)cc1	60045115	YDMCXHIGVKUPLJ-LAWMERGMSA-N	615.752	5.745	50	40	KKGB	
Cc1cccc(-c2nc(CN(Cc3noc(-c4cccc(C)c4)n3)C[C@H](CCl)n3cccn3)no2)c1	69490291	GKGIMUUYZDWDEM-QFIPXVFZSA-N	503.994	5.082	50	40	KKGB	
O=C1OC(=O)c2ccc(Oc3ccccc3-c3ccccc3Oc3ccc4c5c(cccc35)C(=O)OC4=O)c3cccc1c23	98003582	OTXBJILILXBZDZ-UHFFFAOYSA-N	578.532	7.866	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(OC)cc3)=C(C#N)[C@@H]2c2ccccc2)cc1	98048537	FHLJMKINGFCLLY-LJAQVGFWSA-N	582.682	5.578	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@@H]1c1ccccc1	98048709	WMZQUCFLSDRSJN-LJAQVGFWSA-N	538.673	6.019	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	100028411	IAAXXUFSDIRSBZ-HNSNBQBZSA-N	575.662	6.456	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	100136754	GNBGCOBOWRBYLR-KCSSXMTESA-N	566.054	5.712	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccc(F)cc3)c2-c2ccccc2)cc1	100194201	VXQHAEPBPAGHHJ-QHDYCIAZSA-N	531.587	6.891	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(C)cc2)cc1OC	100304175	MMGCYCAXQXNERP-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
CCCCCCCCCCCCOc1ccc(/C=N/NC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1	100489950	RZLBYDNPHJQKMP-WDTKFVEXSA-N	556.835	9.283	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C(Br)=C\c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	101505453	MPXYPZNBRLABOI-PDKOXQPISA-N	604.574	6.871	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(I)c1OC(=O)c1ccccc1	102934328	QFYCOMXSAUHYHX-GZTJUZNOSA-N	538.366	6.193	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1cccc(Br)c1	103754186	WNBBPRHFOZKWMK-IPPBACCNSA-N	603.479	6.368	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc(F)c1	103884125	MDTHMYIYAHBACD-HAHDFKILSA-N	611.455	5.664	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	103890823	UUQBWJCMUZEGQM-ODLFYWEKSA-N	587.257	7.517	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC3=C2C(=O)CCC3)cc(OC)c1OC	106098808	KKMYZOODYYJFQU-XMMPIXPASA-N	584.492	5.276	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]34C)[C@@H]1CCC2=O	118934992	YQQLSJSHFADXQE-VMIUUUFISA-N	562.622	7.427	50	40	KKGB	
CCCCCCCCCCCCCCCCCCOC(=O)CCSSCCC(=O)OCCCCCCCCCCCCCCCCCC	150341700	XPNWIWHUGHAVLC-UHFFFAOYSA-N	715.248	14.757	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341793	FABVOPLSFBHSQT-GOSISDBHSA-N	698.430	11.790	50	40	KKGB	
FC(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342192	KCJCHVJFMIZCEE-UWTATZPHSA-N	642.009	7.752	50	40	KKGB	
O=[P@@]1(NC23CC4CC(CC(C4)C2)C3)OC(CCl)=N[C@H]1c1ccc([C@@H]2N=C(CCl)O[P@@]2(=O)NC23CC4CC(CC(C4)C2)C3)cc1	150408907	KOGPCLWTOFOKSA-IEBKHUMGSA-N	679.566	8.522	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@H]([C@@H]1P(=O)(c1ccccc1)c1ccccc1)[C@@H]1C(c3ccc(Cl)cc3)=NO[C@@H]21	169811325	TVEXPMZTLXPLLA-ABULEZFRSA-N	648.079	7.474	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1	207385988	PAGDCHPOKXVUPJ-HMAPJEAMSA-N	653.314	7.730	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1	408527459	FTSPJLGXFKVUNP-XAZZYMPDSA-N	505.924	5.899	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCc1cccc2ccccc12	408534150	VBROVQGMKXFDRO-XKZIYDEJSA-N	549.262	8.017	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408538957	RZXKALYKKYYFSD-RYYXGZFZSA-N	798.159	10.299	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1cccc2ccccc12	408543396	ORTXHHQWNSTPGT-YDZHTSKRSA-N	538.445	7.747	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1	408543666	PTINXZPYWMIKDC-SOFYXZRVSA-N	536.198	7.123	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	408550840	HQIWJOZTSOUWSQ-RODHXAHZSA-N	656.950	7.415	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OCC	408580837	RZZQBIAQOZJCMX-RIYZIHGNSA-N	500.163	6.626	50	40	KKGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1	408607878	FKSBXKCOHZYZCK-JBCPZZPVSA-N	549.252	5.662	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl	408611013	PKNMKCCCHWTGDD-KPGMTVGESA-N	542.463	5.861	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408637525	ADVUIOVDCHCBRL-FZDBZEDMSA-N	651.566	5.809	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408674538	ZZUSALBRUDCYDU-VNQYVEBVSA-N	685.196	5.543	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408685335	PBTQZBLFYPHTQX-YRXWBPOGSA-N	633.562	5.582	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c(Cl)c1	408741983	UBVCIJGZZOFECK-IBBHUPRXSA-N	709.753	7.300	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1cccc2ccccc12	408756147	UDGIVKMFKBBXHC-FABQOPTDSA-N	584.470	6.657	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc2ccccc12	408759441	FBHFYHBMAUABAY-KVAAJVFYSA-N	585.420	7.292	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408768839	KCHQDDYIBQYLET-JCMHNJIXSA-N	567.402	5.265	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408777202	WHWHECIRYAHLKI-JWGURIENSA-N	628.308	5.888	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	408780387	BQURXGYIJQRXRQ-KCSSXMTESA-N	562.478	6.645	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccccc1	408783829	NMNPAODTCFKYMJ-UHFFFAOYSA-N	518.123	6.621	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(I)cc1	408787481	ARBZELDLSRSHBG-HYARGMPZSA-N	552.412	6.431	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c(C)c1	408790507	WQZAJDFAESQXKF-UDWIEESQSA-N	553.356	5.941	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408792193	JIXORTISDUIVIC-GIJQJNRQSA-N	590.257	6.676	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2I)c1	408792652	BSTFCGMKIJYYDC-RGVLZGJSSA-N	542.804	6.686	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCC#N	408792838	CNWOBPBDEOTKAD-KGENOOAVSA-N	532.394	5.875	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1C#N	408795400	LAOSQUHVDFVUHR-WSDLNYQXSA-N	516.395	6.153	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408795809	MQKOSHZGYAWPHU-DJKKODMXSA-N	515.824	7.397	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(C)cc1	408799422	ZBJJHNFJLQVMRH-UDWIEESQSA-N	570.281	7.043	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1F	408812633	NNQBMCBLZSMMFB-CHHVJCJISA-N	510.179	7.564	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408814017	GSZLCINICJFIQL-KCSSXMTESA-N	519.428	6.863	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c1Cl	408818936	PNJGOMGAGOBTOJ-WYMLVPIESA-N	500.338	6.061	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408824295	GPIRQYYOLZHAEI-LGUFXXKBSA-N	563.028	8.336	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1	408833129	SZOIFLPZOVRTNC-PXLXIMEGSA-N	505.412	6.671	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408841763	KXEBUSRMXRBLLC-MTJSOVHGSA-N	566.408	5.567	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408842515	PVKYALTYTUHAAS-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408843120	RJMRFARKKFRHKG-JRZNSJKLSA-N	681.214	7.134	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408861101	NDPKEAIGAROCDR-MHDJOFBISA-N	633.985	6.717	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408861678	UPYQJISWTVGQON-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1	408862635	LBCFNMSMGMOEAC-UVHMKAGCSA-N	585.307	5.419	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Cl)c2)c(OC)c1	408869067	QOJVDUUWHMEHBN-DHRITJCHSA-N	512.993	6.313	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cc(Cl)cc(Cl)c1	408870653	WIOOUIKLDCRHFH-OKCVXOCRSA-N	556.471	5.642	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Br)cc1	408872984	QHTNJMDZVAGVMP-KIUFUGSVSA-N	564.318	6.466	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1	408879134	BSWOFQCLPZVWEW-LICLKQGHSA-N	541.785	5.885	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408881925	MOLWPUVEKBZNRV-CXUHLZMHSA-N	597.334	5.700	50	40	KKGB	
N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc(I)c1	408883156	TWJHXORUXILYJH-HMMYKYKNSA-N	544.348	6.209	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C	408886260	JEUKQTOADHZYOW-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1	408887098	NWCXAELUZFIGDU-KGENOOAVSA-N	548.979	5.689	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(Br)c1	408887419	OFQQUNMDMWZFJV-XNTDXEJSSA-N	602.195	6.674	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c(OC)c1	408957835	WKTCETBAGQYCBV-WEYKRHLWSA-N	622.678	5.148	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408964257	QGHHHJOKXNRNHE-WCMJOSRZSA-N	527.499	6.084	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)c(F)c1	408968304	VELRASFUUGMMTM-KKMKTNMSSA-N	578.179	5.407	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	408971263	FCPAOTJHTPIQBG-YDSVHKCQSA-N	630.525	5.758	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	408971335	IMPXDBPDARSICD-YLFHQUEYSA-N	644.552	6.148	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1	408973358	MBIUPDMYLOVNOL-INFHVPRLSA-N	501.652	5.446	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl	409027678	OPKKGEPHVAAUHU-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccccc1F	409040583	SUGNQLNHGBAIPG-MWBNBJEGSA-N	692.554	8.039	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(Cl)c1	409051950	DWLSNVJUVVQILC-KBKYJPHKSA-N	581.648	6.425	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1	409053330	BXGCGQSFRGISMX-WOJGMQOQSA-N	590.699	7.388	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccco1	409060308	PLVMJBJXEQSWSC-MUFRIFMGSA-N	504.926	5.504	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081997	RIDAUJYRGSHCOL-LFIBNONCSA-N	513.428	6.056	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c2ccc(F)cc2)cc1OC	409122576	ZTVDIFXDXOEYEJ-HNSNBQBZSA-N	591.661	5.076	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1C	409183685	CZLZBKCRMPEYEU-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(Cl)cc2)cc1	409184777	NLKNKEYYVCQBAP-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NC1CCCC1	409194522	OQSCVKKAKVWSGY-SXGWCWSVSA-N	538.667	6.410	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1	409219707	UCCLUJPQNHQTST-UHFFFAOYSA-N	507.546	5.239	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409223908	HLOPFRZDFYQGJE-UHFFFAOYSA-N	572.961	5.492	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)NCCCc1ccccc1	409246512	CDMFIZQMFPXUJK-JCMHNJIXSA-N	648.282	6.131	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409256340	NUUVXGAJTYKARJ-GRSHGNNSSA-N	579.407	5.546	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409262867	JHLCEESFWWGOMQ-YVLHZVERSA-N	646.825	5.815	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(N)=O	409266707	XUMAAQAGASJTLO-YNFMAFFXSA-N	594.491	5.261	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)ccc1OC	409317859	WKHKTITUNMMZBU-MUXKCCDJSA-N	503.382	5.752	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OCC	409336778	URGPNAYICMLBJE-UHBFCERESA-N	541.000	5.577	50	40	KKGB	
COc1ccc(Br)cc1/C=N\NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1	409369785	XMSJBKMHVHPSPZ-NVJOKUIPSA-N	664.203	5.868	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1cccc(C(=O)O)c1	409373131	MFKHNIRZLWDQHX-WCMJOSRZSA-N	624.431	5.893	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(I)c1OCc1ccccc1Cl	409373138	QRBZFVIQLLXXPM-LICLKQGHSA-N	522.770	5.062	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCc1ccccc1	409383733	DBMMTHCRQXPNFZ-XDHOZWIPSA-N	570.477	7.535	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409393075	UXFRFJZSJLVFMB-YVLHZVERSA-N	565.399	5.953	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409397413	JOYFMNLSASMCOH-UHFFFAOYSA-N	546.385	7.264	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398923	WNFRPZQQRFJWKX-UHFFFAOYSA-N	649.962	8.243	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Br)cc1	409407271	ZFXYNPCLWKTRNE-UHFFFAOYSA-N	662.968	8.034	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc4c(c3)OCO4)o2)cc1	409409046	MEVAPDVKKOFGLF-DLCNMLRHSA-N	622.590	5.886	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc(C)c2)c(Br)c1	1529546687	GNEYHVGMPYGTIR-JRAYHQQOSA-N	651.583	5.222	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(OCC)c1	1529549079	SKWRVJQUKYUEOL-NZBLFOEUSA-N	671.603	5.856	50	40	KKGB	
Cc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)c1	1819910	ZQSJXGZQBDBILX-CVKSISIWSA-N	506.429	5.248	50	40	KKGB	
Cc1c(/C=N/NC(=O)COc2ccc(Cl)cc2Br)c2ccccc2n1Cc1ccccc1	1832633	USQUVZUOIKVQGX-CCVNUDIWSA-N	510.819	5.943	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1	2089738	JXLXVKCRGYRZMP-GDLZYMKVSA-N	558.053	7.008	50	40	KKGB	
O=C(CP(=O)(c1ccccc1)c1ccccc1)Nc1cccc(CP(=O)(c2ccccc2)c2ccccc2)c1	2304039	YOPCOMNJRCRDLI-UHFFFAOYSA-N	549.547	6.153	50	40	KKGB	
Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)c1	2326378	ZYWGZBZDDRSFHH-BDPHVXEFSA-N	508.430	6.367	50	40	KKGB	
Cc1ccc(S/C(=N/C(=C(Cl)Cl)P(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1	2686385	HAOPOEJZVUVUIX-CCFHIKDMSA-N	522.437	8.152	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1	3089543	GHDYFQJZHNVIRS-IHQYTQDJSA-N	574.456	5.651	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1	3667470	ARNJCKDJQYHZMC-RUMWWMSVSA-N	529.625	6.525	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1	4047912	FLXLNVYEXLGAQY-MWAVMZGNSA-N	594.512	9.273	50	40	KKGB	
COc1ccccc1[C@H]1CC(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)=NN1C(=O)CCl	9404281	KNGCGLOXRYGCKE-JOCHJYFZSA-N	506.389	5.774	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	12250351	NKABBUYQCLPHDJ-AREMUKBSSA-N	514.607	5.303	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)c1	58914995	UUEGHOQSIJYXSH-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c2ccc(C)cc2)cc1	59503470	YJLAUJMRMCQKSW-JBASAIQMSA-N	521.683	5.427	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)cc1	59856499	UYNITSPKZQCOMJ-JGRMKTMXSA-N	569.727	6.542	50	40	KKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2Br)c1	98001676	JQFCJXKRJJLVMW-VVEOGCPPSA-N	667.192	7.154	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(Cl)cc1	100120492	YMNLDQNPWRMYSR-KEIPNQJHSA-N	540.111	5.829	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)[C@@H](O)c1ccccc1	100451219	HPESHWOQLYPNSY-XACFZUKVSA-N	554.609	5.025	50	40	KKGB	
O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl)C1c2ccccc2Oc2ccccc21	102188589	LIUUITMRHMPARO-KDIGXEEGSA-N	611.092	5.234	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)C(C(=O)OCc3ccccc3)=C(C)N2)c(OC)cc1Cl	102422473	MSXSANJJWCDZJG-YTTGMZPUSA-N	632.182	7.292	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12)c1cc(Br)ccc1O	112255209	NMSFYCRXSVXWGA-UGOYGOHDSA-N	610.439	5.260	50	40	KKGB	
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C	118931337	VXIQRXMZKFMUCO-YNUMQBFUSA-N	574.633	7.593	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@@H](C(C)=O)[C@@H](Sc5ccc(N(CCCl)CCCl)cc5)C[C@H]4[C@@H]3CC[C@@H]2C1	118934479	CRLGZAAQVVSCHY-BBIMBBAKSA-N	622.699	7.400	50	40	KKGB	
O=C(COC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)nc2ccccc12)NNC(=O)c1ccccc1	139009281	SOKZOVYDHXXBTF-UHFFFAOYSA-N	531.568	5.099	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342019	TYRVDWSBLXITKS-UWTATZPHSA-N	742.023	9.022	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164698572	ZTIIZNIEKUDEOZ-BKUYFWCQSA-N	673.305	5.797	50	40	KKGB	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccccc2)cc1	195798781	ORRRQZAEMCGPHS-PMEFXATGSA-N	757.964	7.745	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408538121	JHXOFYQGOMUDFK-WPWMEQJKSA-N	616.636	8.206	50	40	KKGB	
COc1cc(COc2ccccc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	408538822	CDRNIDJFMJMWIP-YKQZZPSBSA-N	511.534	5.525	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408542069	JWOFAJYTWYOJJK-GRSHGNNSSA-N	509.312	5.707	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1cccc(F)c1	408570694	XPXPYJPBBSOXDW-IPPBACCNSA-N	591.524	6.184	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408604926	JDVYBYMTINKLHU-KVSWJAHQSA-N	520.800	5.632	50	40	KKGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1	408611356	QRNQQYCPRKTCFL-KKMKTNMSSA-N	518.770	5.218	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]21	408655429	RVHOKMBATWLXGY-ZKZNVZPYSA-N	551.829	5.567	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@@H](Br)c2cccc([N+](=O)[O-])c2)c1)c1ccc(Br)cc1	408682938	LTFBJJFGHDUKCW-AHKZPQOWSA-N	652.295	7.154	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2cccc3ccccc23)c2ccccc12	408710839	OIUNIOCDMMEUPG-KBVAKVRCSA-N	526.434	6.686	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)ccc1I	408747141	JMDWNOKDZIDPHT-KKMKTNMSSA-N	569.226	6.258	50	40	KKGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I	408747755	SMLGHCDDAINSJW-WDZFZDKYSA-N	561.999	5.370	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3I)cc2)cc1	408751914	DRLGMQMKZGFIGL-RGEXLXHISA-N	537.357	5.163	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)o2)cc1	408759811	MEKGDBUTIMUPHZ-SFQUDFHCSA-N	512.303	5.274	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408763983	VHMJNHABMLCFBI-YVLHZVERSA-N	638.097	6.941	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccccc1Cl	408769657	YOOJWLVNBHMWDD-UNOMPAQXSA-N	540.845	6.302	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408787469	AOKHUCSOOQKQRQ-CAOOACKPSA-N	627.693	7.775	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1C#N	408791489	YDGYEYDGZSNMDK-SRZZPIQSSA-N	502.368	5.762	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408792279	AEQGTQOARSLSNA-MFKUBSTISA-N	541.003	6.803	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	408795648	LYXBWDMVHKOGDG-PCLIKHOPSA-N	555.030	7.193	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408797470	SAJLVDTWUAOXHQ-GIJQJNRQSA-N	615.234	6.031	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798248	VKWLDNMCRACUDI-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(I)cc1	408816836	MFSFWOGWMGPMPY-WQRHYEAKSA-N	621.244	6.716	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408817297	VWELEZRFHWKJAN-GIJQJNRQSA-N	560.673	7.298	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408829633	OPLFKPNEJLYWKM-LGUFXXKBSA-N	590.035	8.105	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408830457	OIKBJDKBWFXOEQ-XIEYBQDHSA-N	613.928	9.504	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCc1ccc(Cl)c(Cl)c1	408836406	QXOMCFCIPOVLBD-GIJQJNRQSA-N	561.849	7.187	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408839379	RJMVPWGXDSGVQF-KBVAKVRCSA-N	636.515	6.641	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408839883	WWRRRJKWGPNGFT-AABVJFSESA-N	692.979	8.229	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(C)c1OCc1ccc(Br)cc1	408844866	FMLWCZSBXDJGGM-BIZUNTBRSA-N	543.461	6.031	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC	408848050	WSOMKCINMSQYDE-KVSWJAHQSA-N	569.403	5.934	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408848950	XJVUSBPPDUJUFV-RQRWGXNHSA-N	688.614	9.057	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408852604	UUCLAZUAFLQJSG-OPVMPGTRSA-N	603.061	5.426	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C)cc1	408855851	ONFXUDUCLVGFQO-NUJZUDFISA-N	586.280	7.008	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408864217	UBDJHDKGLMUQPK-HNSNBQBZSA-N	596.080	5.802	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408870542	VXZNRGRSBNNZJN-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OCc1ccccc1Cl	408884755	VJYJHQVXXJJVID-WKULSOCRSA-N	570.814	6.449	50	40	KKGB	
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1	408885649	DJAZYTNBVRFOPV-XQNSMLJCSA-N	511.419	7.344	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1	408886755	LVKJGSMZHUMPLT-GIJQJNRQSA-N	512.349	6.343	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OC(=O)c1ccc(OC)cc1	408891451	QSGKPSABXHJZBG-CCVNUDIWSA-N	606.267	5.611	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccccc1Br	408893873	GOPKTUNLGOYRHI-BUVRLJJBSA-N	695.351	7.766	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c([N+](=O)[O-])c1	408898914	NLHWQNREZRCYJT-RQZCQDPDSA-N	681.224	5.937	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)c([N+](=O)[O-])c1	408923424	IKEWOPKFCIVNPK-RQZCQDPDSA-N	511.893	5.529	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1cccc2ccccc12	408940850	DASPKGPHGARRQW-YTTGMZPUSA-N	717.642	6.075	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl	408962825	JTPGRFVHMJQRTF-VVEOGCPPSA-N	511.327	6.754	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c2ccccc2)cc1	408978828	KNPGADZVOBREGR-OJANRJRPSA-N	556.471	6.122	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(I)c2)cc1Cl	408982582	IBICNTIXEIQZQL-XKZIYDEJSA-N	578.837	7.531	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408989502	KWRKIBHPTULEQC-MTJSOVHGSA-N	566.839	7.172	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	408995641	CXNKKJJFRZCUPR-FDMPGDAISA-N	612.480	6.483	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409003346	SBDOIFLICMVYJE-DVAMMYLFSA-N	661.391	6.351	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(OCc2ccccc2)cc1	409018080	XGNFMJXWECUUCD-KPGMTVGESA-N	668.329	7.550	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409062953	DLGOYSXGJKHELM-HNSNBQBZSA-N	592.117	5.577	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409074373	QIKVJFSKGZGRIQ-LPYMAVHISA-N	509.389	7.672	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(F)cc1	409082839	SXSIANQLVCPQMU-RQZCQDPDSA-N	574.200	6.174	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O	409130666	UCMFAJZQAPLSIL-VWLOTQADSA-N	570.915	6.064	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)cc1	409162993	KJTUYEBGGNSYHC-IBBHUPRXSA-N	585.886	5.010	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c2)cc1	409226060	RQOZRQXLKORHBV-UHFFFAOYSA-N	572.415	5.693	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409227452	YTIQFWIDUZCNEZ-GZTJUZNOSA-N	529.902	5.931	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccc(Cl)cc1	409247701	AQRDTZXXQFEHBQ-RAWMCFOBSA-N	521.744	5.336	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409252741	SOPDZMXKQVYJQY-PPDIBHTLSA-N	506.773	5.437	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2Cl)cc1	409259145	WVQDDAJKTRDGDB-RODHXAHZSA-N	644.584	8.259	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409264344	DTGBSOQWZVNDID-WKIKZPBSSA-N	622.257	5.152	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409265634	NCWGBBNTANVWLL-VHFSBPNMSA-N	684.616	7.723	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409266371	WGDGZOXYUPFJRR-QDTIIGTASA-N	589.284	5.618	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1C	409267351	UBLWBFNRLZMUNP-BKUYFWCQSA-N	503.986	5.919	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC	409314995	UGPUDUHKMSDVQH-DICXZTSXSA-N	537.421	5.322	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1)c1cccc2ccccc12	409318709	XFDDFZBAVYFBKL-BKUYFWCQSA-N	613.236	7.692	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC	409322405	WPRUCTCOLUNMNP-DICXZTSXSA-N	542.386	5.498	50	40	KKGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)=C2C#N)cc1	409324230	RPNFJAIDXUQNDA-MRXNPFEDSA-N	509.937	5.468	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OCc1ccccc1	409363309	LCJYOPSSMPSWFI-ZVHZXABRSA-N	509.491	5.463	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(F)cc3)c(OCC)c2)ccc1OCc1ccccc1	409365595	UMIRWPCUZKZOQM-WBIBEUCMSA-N	620.077	6.637	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409372062	FAGBOJRXTSASCX-ATZGPIRCSA-N	618.325	7.870	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2OC)cc1	409378188	NKJVRLRXVAGBKA-KMUKQRDJSA-N	621.719	6.661	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OC(C)C	409386670	RCIQQGAZKNVLEC-FOKLQQMPSA-N	506.378	5.522	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccccc1	409395383	MYOIQHMXRMYNQX-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395786	RTAWOJMQURTIOD-UHFFFAOYSA-N	607.837	7.686	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409396971	DMDIVSAHZJFNEA-UHFFFAOYSA-N	566.057	7.487	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1O[C@@H](C)CC	409401172	GRKXJGUVFUASBK-ZBLBMXTLSA-N	608.533	7.369	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)o2)cc1	409401221	GYTLXTCXCGIHNE-ADJDCTSUSA-N	738.408	7.712	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(OC)c1	1529546748	HGMRAZWQYJNUPK-DMFIQNIRSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1	1529547134	JBHSXNCPKHDFEO-IBPXFIEHSA-N	697.011	5.438	50	40	KKGB	
CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(C(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)OC4=O)cc2)cc1	2362803164	KMOPFPZZAZGPBS-UHFFFAOYSA-N	638.672	8.544	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1	1790538	QEQZIHKIKLKMNJ-CKVBZJJFSA-N	538.854	6.167	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C	2207846	DWTBDXWJTSUTLQ-LGMDPLHJSA-N	525.652	6.297	50	40	KKGB	
CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1OCC	2309831	OPYGTMMRIQONFH-ZEQRLZLVSA-N	521.639	5.351	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)sc(C(=O)OC)c1C	2379392	BVWOKZAAIZXHHJ-UYRXBGFRSA-N	503.605	6.273	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(C)=O)c1C	2379853	MXUOREZCWVLVLV-WJDWOHSUSA-N	505.577	5.642	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Br)c3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	2888271	UYKSCTSDQWCXNM-IEQIIXMPSA-N	546.490	5.543	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667566	RXSXDRNMKUFPLH-HSZRJFAPSA-N	546.649	5.653	50	40	KKGB	
CCCOc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)cc2)c1	6167564	FPPGUHXUXSHKHT-IAPHWENMSA-N	591.730	6.008	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2c(I)cc(/C=N/NC(=O)c3ccncc3)cc2OC)cc1	8492323	PWQAFBZFXJFLBI-AJBULDERSA-N	617.484	5.876	50	40	KKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(OC)cc3)C(=O)N2c2ccccc2)cc1	9428681	WJRUQBHMWPLNEI-WDMJVNMNSA-N	511.647	6.103	50	40	KKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)cc1	12251011	FSEPNSNHBGNYFE-NDEPHWFRSA-N	509.675	6.828	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1C#N	14152089	VTCIMSCKFGDZSG-LPYMAVHISA-N	508.603	5.894	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c1C	20243676	BOUOVYRKUPAGGB-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C	29490934	YLYNJLONDRWJIM-PLRJNAJWSA-N	558.642	5.590	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1OCc1c(Cl)cccc1Cl	59101906	BKPHGZGMHCOEOX-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(I)c1OCc1ccccc1	59247825	RACKEHFHIJIANJ-XDHOZWIPSA-N	516.379	5.235	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	59887134	PIGHTTJBBRLZMF-FABQOPTDSA-N	602.034	6.283	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1ccc(Br)cc1	97962117	SXJPUCUWKFGMQB-MBTHVWNTSA-N	525.399	5.213	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C\c1ccc(Cl)cc1	97966320	WWYYXHDZZVUDDP-OLDOVDFUSA-N	645.975	7.237	50	40	KKGB	
Cc1c(C)c(C)c(CS/C(=N\[C@H]2C[C@H]3C=C[C@H]2C3)P(=O)(c2ccccc2)c2ccccc2)c(C)c1C	100013716	WIUABJLTNQUZQC-HMRFCJIDSA-N	513.687	7.797	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1cccc(C#N)c1	100063437	NXLCHIJPWFSEQN-WKULSOCRSA-N	526.818	5.645	50	40	KKGB	
Cc1ccc2nc(-c3ccc(OCC(=O)N/N=C/c4cc5ccc(C)nc5cc4Cl)cc3)cc(-c3ccccc3)c2c1	100815676	OHYKZGAYHSWOHF-HASSKWOGSA-N	571.080	7.916	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CSCc5ccccc5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104700009	HAXOMAHPPZUHAB-SQVHQUHPSA-N	601.772	7.887	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	105436927	WPHQZNOFHNHKBZ-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	150385562	TWBRUQTVNXSUJG-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OC)c(I)c2)c(C(=O)OCC)c1C	150553216	DDVMVLSHUYLIHM-VGOFMYFVSA-N	693.297	5.347	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)c(Br)c(Br)c1OCc1ccc(Cl)cc1Cl	163576946	CWRKXGCFOLDDLO-OAHLVZFQSA-N	650.111	5.669	50	40	KKGB	
C[Si](C)(CCCNC(=S)Nc1ccccc1)O[Si](C)(C)CCCNC(=S)Nc1ccccc1	195909084	BAQSLZHYNBQPEI-UHFFFAOYSA-N	518.901	6.167	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2SSc2ccccc2NC(=O)c2ccc(OC)cc2)cc1	196451198	JMGZOXBCJBCRPO-UHFFFAOYSA-N	516.644	7.008	50	40	KKGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc2cc(Br)cc(Br)c2o1	209499528	MDNACDFVUMCCLV-IFRROFPPSA-N	501.518	5.283	50	40	KKGB	
CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@H]2[C@@]5(C)CC/C(=N\OC(=O)/C=C6\SC(=O)NC6=O)C(C)(C)[C@H]5CC[C@]24C)[C@@H]3C1	245229002	LAPUCWPKWZCJAA-WWITWFCNSA-N	703.740	7.687	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2OC)ccc1OCc1ccccc1	408538154	JWCHMTZNDQSZNQ-YZSQISJMSA-N	550.611	6.503	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(Cl)cc1	408551673	LWKZAGVVCBYQDW-VIZOYTHASA-N	615.536	8.253	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccc(Br)cc1	408566664	AVYUEZBKEFCUOX-MFOYZWKCSA-N	571.244	7.269	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12	408570652	XJOODDMKJRPEFF-KCSSXMTESA-N	537.710	6.851	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccccc1	408580659	QJIDFYMVKBSEHD-WOJGMQOQSA-N	589.227	6.144	50	40	KKGB	
O=C(NNc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408601849	BXGRLBKWHBUQFL-MRXNPFEDSA-N	549.252	5.831	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408641316	JWYURGSZOBKFRN-KIHHCIJBSA-N	754.215	6.856	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408643875	QFAXJSQIWMOTBC-CZTZKLFOSA-N	533.839	5.572	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408725823	KXYCACPCXWADGS-WKULSOCRSA-N	597.263	6.545	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408743564	BCYBHDADMATDFP-BOPFTXTBSA-N	546.646	6.990	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)c1	408746152	XONGSPRZLXITHT-GRSHGNNSSA-N	570.237	6.343	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OCC)c1OCc1ccccc1	408748050	XQUMBHHHAAXEON-PPFNPFNJSA-N	520.629	5.779	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408749262	MMXGUIWYBOHNEO-LQKURTRISA-N	645.431	5.283	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408756209	YDNXWMXATXCKRW-KGENOOAVSA-N	577.456	6.233	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12	408757541	ZNMXLGQOIPOIPZ-CCOBIQQASA-N	666.638	6.732	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c1	408789504	JSHAJCLFOCTVMS-VXLYETTFSA-N	713.151	7.400	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408789792	LNUUZCYWBOMXPT-VCHYOVAHSA-N	546.248	7.279	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccccc1Cl	408791714	BGUZNUNFHLZHMQ-VIZOYTHASA-N	615.536	8.296	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408794362	IWHIEWDHIRBSRB-LZYBPNLTSA-N	624.218	6.639	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(F)cc1	408798557	VSFTWAAEVMAQRV-CIAFOILYSA-N	570.402	6.571	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408801077	SMBWQSDBVZFTTR-CIAFOILYSA-N	502.368	5.762	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408817945	YYWGEIGXNKTHOI-KMUKQRDJSA-N	782.376	7.913	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408820293	WPYQOMAKBKTKIE-UHIZKJEFSA-N	611.323	8.253	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408826745	CUINWMOIWBRCLF-KEGTUQKMSA-N	788.175	7.323	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408834767	LTUSMGBMOGYNOF-LPYMAVHISA-N	687.215	9.222	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OCc3ccc(C)c(C)c3)cc2)cc1	408836928	XAYSRCNRLBDLQV-VUTHCHCSSA-N	502.614	7.316	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	408843266	SGIFYODLYFBUEQ-KEIPNQJHSA-N	585.726	6.011	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc2c(c1)OCO2	408847646	NVIGWNZXYFGMDT-ULPWCQAASA-N	663.262	6.270	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408852642	MIWSTICVCMBHLO-WBIBEUCMSA-N	642.937	7.910	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1	408861850	DTHKCRYWNYDDBL-BIZUNTBRSA-N	591.089	5.088	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cccc(Br)c2)cc1	408862788	JCMCZQVXGINEOH-KBVAKVRCSA-N	597.510	5.650	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	408863400	MKQZUBJOVPYTJR-FMFFXOCNSA-N	605.116	5.266	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc(Cl)cc1Cl	408874607	CKYQXTBZPFPDMG-KWOFBBSJSA-N	601.312	6.852	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1cccc(I)c1	408878631	CKBSVIXRHGONOJ-RQZCQDPDSA-N	638.097	6.941	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC(=O)c3cccc4ccccc34)c2)cc1	408886019	CTFJQFIGXQYFSK-HAVVHWLPSA-N	520.541	5.790	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1	408890508	UWSCBEXRRLHQEZ-LDADJPATSA-N	525.786	6.184	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	408935642	GGLBQQRIKLMUNH-BIZUNTBRSA-N	622.541	5.378	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	408940927	DJVUQYNAIWCULB-HHHXNRCGSA-N	645.540	5.597	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccccc3Cl)cc2)c1C	408942037	FFVNXXSRFHCXBP-UUWRZZSWSA-N	686.234	6.212	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	408943630	LRFBZKFEPYGIRE-IDWIKUEFSA-N	576.628	6.382	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1	408953087	LNMFKBUMBOGPIQ-OEISHWKDSA-N	762.985	5.261	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408969032	GAHQIQMDUNCJLA-VQKSMGMGSA-N	556.490	5.673	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408973116	ZARHBFMRKPRBDT-ARYYDRAESA-N	540.447	5.203	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C	408973551	UFSHHZUBIMSNPQ-PCLIKHOPSA-N	533.068	6.852	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cccc2ccccc12	408983380	LRHWKQMZSVKFEM-OEAKJJBVSA-N	575.890	8.088	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1	409012051	HJKQBCUVPGFZBY-FJKHUEJASA-N	575.449	5.919	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)cc1	409015251	AZUGJUQSWQJRJM-KVSWJAHQSA-N	520.800	5.502	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409028323	LYGMAECOADXNKE-JEPNHJGPSA-N	681.167	5.119	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OCc1ccc(C)cc1	409053240	NJNTZZZLXBYCPD-CCVNUDIWSA-N	515.835	6.461	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl	409060948	XFCHJQRNZRFYHN-IPBVOBEMSA-N	563.265	5.781	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc(I)cc2)c(Cl)c1)OCO3	409095995	JGUZIZBKBODJTD-QHCPKHFHSA-N	558.759	5.470	50	40	KKGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409115707	NSEUSIIEESYUQS-VUTHCHCSSA-N	526.058	5.606	50	40	KKGB	
Cc1[nH]nc2c1[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	409123496	CFMCHRYGJJONMX-LJQANCHMSA-N	506.187	5.585	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409190145	LLMLBFKIJOGWRW-XODNFHPESA-N	504.345	5.313	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409256134	JVBSRAVXOUMOKE-RODHXAHZSA-N	752.034	7.910	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OCC	409309468	HVPQYVDRSHNKAC-FDVSRXAVSA-N	574.859	5.681	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl	409309633	KDPYAENWXZTPIY-CIAFOILYSA-N	553.283	8.951	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1OC	409311671	HBAYUXDQSQABCK-FDVSRXAVSA-N	543.389	5.513	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC	409312802	NPZNECGBBHIJLF-CPDSRJINSA-N	596.356	6.730	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	409314442	GELCVBRAJVJTIT-KVSWJAHQSA-N	601.122	6.799	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OCC	409333832	JTRBVRHCBHULES-GXBUFBABSA-N	603.513	7.307	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	409362168	FYPQMALZTOZRIN-MBTHVWNTSA-N	562.835	5.787	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409371271	FDYNHGYVHOAUJM-GRSHGNNSSA-N	524.327	6.307	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409371825	PPEFAAALGXGPFU-SOFYXZRVSA-N	538.612	7.961	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1	409374053	XSSFHSCXZFFZGG-OKCVXOCRSA-N	533.422	6.271	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(O)cc1	409379215	VNTZBQBRMZLDNK-SXGWCWSVSA-N	501.739	6.072	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(Br)c1OCc1cccc2ccccc12	409392802	SAJOSXVNNSOFML-OKCVXOCRSA-N	549.421	6.058	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409396999	DWJZAQOANJFBRE-UHFFFAOYSA-N	586.475	7.832	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)cc1OCC	409397558	LEWYGNUAJIIUHW-UHFFFAOYSA-N	600.046	7.408	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)Nc1ccc(F)cc1	409400473	DHCQGIUOFNGMBL-KOKCXWAISA-N	640.668	6.204	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc5c(c4)OCO5)c([N+](=O)[O-])c3)o2)cc1	409401232	HAROJVVDKSLWTG-NKHVPTTDSA-N	643.052	6.899	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409401412	HBCKBZZJUBHNOB-LJUMEUDFSA-N	625.463	6.208	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1Br	409402061	IZFWGMFHICXWKY-AEVGBRMKSA-N	766.443	8.441	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)O)c(Br)c3)o2)cc1	409402816	LDWYYOOKKZSDFH-YNFMAFFXSA-N	600.853	5.909	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409402979	LOXHLCHCRSZMHS-MUXKCCDJSA-N	567.396	5.709	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3cccc(F)c3)o2)cc1	409406215	WHAXZOPCSGIGRX-QJOVZPHJSA-N	580.660	6.814	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Br)cc4Br)c(Br)c3)o2)cc1	409407092	YVTDMNKMMINXQZ-FDUMAKPYSA-N	835.185	9.659	50	40	KKGB	
N#CC1=C(N)Oc2cc(OC(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)ccc2[C@@H]1c1c(F)cccc1Cl	606422508	ZWMVMKSVRGPVIV-MHZLTWQESA-N	561.396	7.149	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ncc(Cc4ccccc4Cl)s3)o2)cc1	1454103	SBHKDDYBUWYVIC-DEDYPNTBSA-N	517.994	6.370	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1ccc(C(C)(C)C)cc1	1759629	WUQJBKVGAVQSOD-AFUMVMLFSA-N	500.466	5.267	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1cccs1	2056362	YKFUWCKYJPYHTR-QFIPXVFZSA-N	500.605	5.099	50	40	KKGB	
CCOP(=S)(OCC)Oc1nc(-c2ccc(C(F)(F)F)cc2)nc(C)c1Oc1ccc(Cl)cc1Cl	2153989	YHOGXUVABMIMIM-UHFFFAOYSA-N	567.353	8.246	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)[C@@H]1CC1(c1ccccc1)c1ccccc1	2314415	SMYQVULNOUIWTH-AXMMYCDFSA-N	525.446	6.484	50	40	KKGB	
Cc1ccccc1NCC(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1OC(=O)c1ccc(Br)cc1	3117070	KWXLFKLRWNIPSK-KKMKTNMSSA-N	590.228	5.210	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)c(OCCC)c1	3222568	DOFZWKVABZUCKK-UZWMFBFFSA-N	557.672	5.890	50	40	KKGB	
O=C(N[C@@H](O)C(Cl)(Cl)Cl)O[C@H](c1ccc(Cl)cc1Cl)P(=O)(OCCCl)OCCCl	8386634	FXXZPJHMJNRCPS-RYUDHWBXSA-N	572.420	6.111	50	40	KKGB	
O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	8440891	FEWYYYBGTVKEFL-QUZHHRDCSA-N	570.967	6.148	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c1	9110098	SKJWOWBZDGIZMX-XMMPIXPASA-N	508.043	5.786	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)c1nc2ccccc2[nH]1	27021507	ANDCVLNDJFADFS-ULJHMMPZSA-N	511.560	7.198	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C1/C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21	53336257	FHWHHSIDVBSCSN-WUZYOQQESA-N	561.667	5.447	50	40	KKGB	
Cc1ccsc1/C=N/NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1	58924814	AYHPCWLAJVSXHR-RPPGKUMJSA-N	515.966	5.074	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	59222090	FQTJKMOPLLSVMJ-BOPFTXTBSA-N	561.841	5.733	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2cccc(Cl)c2C)cc1	59647379	MNFKMIYHDAONKE-IPPBACCNSA-N	523.964	5.321	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	59856569	CVDAVCUVBDBLSH-GZZLJNBRSA-N	570.715	5.701	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1Cl	59920794	QORBZXONSFCIBF-UZWMFBFFSA-N	515.009	5.704	50	40	KKGB	
FC(F)(CCI)C(F)(F)C(F)(F)C(F)(F)CCI	95707738	IGGDHHHKQANRAY-UHFFFAOYSA-N	509.944	5.178	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1	97959561	MRKANLOAUOVHFF-STKMKYKTSA-N	552.103	7.196	50	40	KKGB	
O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1c(-c2ccccc2)nc2n(Cc3ccccc3)c3ccccc3n12	97968864	LTCXNXIZUXQFTN-UHFFFAOYSA-N	589.453	5.853	50	40	KKGB	
COc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(Br)c2)cc1OC	98001718	JQZIESXIHLROSW-PNQUVVCRSA-N	698.162	5.091	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc([C@H]3C(C#N)=C(N)N(c4nnc(SC(C)C)s4)C4=C3C(=O)CCC4)o2)cc1	98007237	GZZSEZHEJKTLMZ-HSZRJFAPSA-N	561.689	5.780	50	40	KKGB	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3cn(Cc4ccc(Cl)cc4Cl)nc3-c3ccccc3)C3=C2CCCC3=O)s1	98007238	KLVAWFYVJSXVME-SANMLTNESA-N	648.645	7.562	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	98048535	PTMQMWZYHBPFDM-RUZDIDTESA-N	541.658	5.904	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2c(C)c(Br)c(O)c(C)c2O)cc1	100029474	JSQCHSDRLSEHBB-UKJKVWPFSA-N	579.495	5.245	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1	100119063	GCJRFIZPUWOQIU-FQAMYZABSA-N	543.092	6.286	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)c1	100122842	GOBATBQFLHDHMI-FABQOPTDSA-N	582.648	6.075	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2c(=O)[nH]1	100920153	JFLDSAYGOGSCED-JJIBRWJFSA-N	556.025	7.072	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1Cl	101042453	MGQWRKRLIQFMQD-HSZRJFAPSA-N	576.900	5.360	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cc(Br)cc(Br)c1O	101509898	QEBDXOIJTFHELG-QPJQQBGISA-N	608.790	5.957	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1	102438457	JIXMRXUJMGLENG-ZYGWBPEKSA-N	596.845	7.731	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-]	102935080	BAKFEJDEGZDPNI-KGENOOAVSA-N	528.362	6.635	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	103584170	VVEPRZHGHYZXOC-VTNSRFBWSA-N	586.472	6.266	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Br)cc1	103883382	LNSXBECTWSYPMX-JCMHNJIXSA-N	566.883	5.946	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889462	WKLCVEYUBWPBRD-CHHVJCJISA-N	554.630	7.673	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	103899813	PYXVRANHFHUTKO-DFKUXCBWSA-N	541.629	5.007	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](C)Sc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699432	ZRDILTLNSISLSG-TUBGRKDJSA-N	525.674	6.321	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	105585423	RNAKSKYIMWRQDS-FDAWAROLSA-N	612.933	6.027	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	136823382	CUZBRFFAJQYHIU-LICLKQGHSA-N	510.808	7.204	50	40	KKGB	
O=C(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F	150352378	LXDDXXAFOATVOT-VOQCIKJUSA-N	924.116	9.166	50	40	KKGB	
COc1cccc(Nc2nnc(SCC(=O)NNC(=O)c3cc(-c4cccc(Br)c4)nc4ccccc34)s2)c1	150452589	QFKNIQJLXQZDFA-UHFFFAOYSA-N	621.542	5.821	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164701060	JYIGOERXGKHQBA-STZFKDTASA-N	801.204	6.335	50	40	KKGB	
CCOC(=O)c1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)sc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1C(=O)OCC	196039352	QJGKFFLSLCQWIT-UHFFFAOYSA-N	778.851	9.720	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)ccc1I	223546174	JLDSXAZGKQCYPH-JAYSCUBMSA-N	519.427	5.564	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408543350	QJYHRSOWRQFUGP-JAIQZWGSSA-N	521.367	5.546	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc2ccccc2c1	408549754	YHOGYSCSPHXIDH-JJFYIABZSA-N	553.681	8.661	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408555057	VESPAUSAGHZEDK-RGVLZGJSSA-N	562.047	6.374	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12	408570841	ZEDOMDOZPPDDMN-KBVAKVRCSA-N	532.662	6.566	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408580462	PRYUHOYIQFBWIG-OVCLIPMQSA-N	645.169	7.846	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408642430	DVJVZVCUSXXATP-AXAFYDDRSA-N	818.129	7.537	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408647228	UUUXVFZSTBGLNV-FZDBZEDMSA-N	662.118	5.064	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408676239	ANRNHRMCBKTPIR-YZEAIEHJSA-N	601.122	5.329	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408687272	UAWSXLTUMDMAEE-FZDBZEDMSA-N	589.111	5.473	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2C)n1	408724268	JGOGFWDAHSJZKA-UZWMFBFFSA-N	515.573	6.495	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	408725650	LZAXCSHRZIGCAG-RGVLZGJSSA-N	558.803	5.756	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1Cl	408727280	ZGTQEVUOJJXKKB-ODLFYWEKSA-N	503.223	7.798	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)cc1	408745058	JJHLAJIXLRCWOE-ODLFYWEKSA-N	556.254	6.653	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747368	MWYGESUHLLEPCD-NVMNQCDNSA-N	663.107	6.813	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccc(C)cc1	408751814	COAWHKBEDMEOIB-IWIPYMOSSA-N	531.450	7.009	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Br)cc1	408755389	UOAXAGPIDXDEEF-BRJLIKDPSA-N	586.689	5.705	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)c1	408757290	YDZYYNHYQAOIOI-LDADJPATSA-N	527.396	5.080	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1cccc(Br)c1	408761344	IRDWXCQMXHUQJC-YVLHZVERSA-N	638.097	6.941	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408789304	ITPNKFMYIXFBSC-CAOOACKPSA-N	580.693	7.933	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)c1	408789827	RVLRSUIPDDUBJJ-AFUMVMLFSA-N	558.419	7.186	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(C)cc1	408794862	KDTHTPMVTADFDI-VXLYETTFSA-N	511.803	6.544	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccc(Br)cc1	408795523	LKTMLQCLJYDPFX-GZTJUZNOSA-N	525.233	7.305	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408797679	SMLCXLYVZJKNNH-MWAVMZGNSA-N	533.631	7.967	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1	408814499	HDBPORLGXOFZEV-HAHDFKILSA-N	523.549	5.422	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1	408815829	SKSQQZXTFNKFFK-NVJOKUIPSA-N	548.220	6.854	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1Cl	408820088	VAQLQQBKTFCQJL-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1C	408824212	HJHGTEGEZAHPDH-ULJHMMPZSA-N	560.075	6.487	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2cc(Cl)ccc2C)cc1	408834429	ZXDHCQZATDOMCS-IBBHUPRXSA-N	590.916	6.869	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)c(C)c1	408840380	FPIGZXJBLOSYQU-OKCVXOCRSA-N	556.471	6.216	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408841976	HLVJLSBMVVCGPU-QNVXDBMFSA-N	682.427	8.975	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408845687	QYEUMJPQPOYUMU-JJKQSNDFSA-N	664.460	6.857	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(F)c2)c(Br)cc1OCc1ccccc1Cl	408857426	OAVDXPZPBPLNCY-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408859235	NIPCNGWFLVDQHQ-XODNFHPESA-N	615.333	5.260	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c2cc(Cl)ccc2OC)cc1OC	408862025	WNQKAIZZFWCLDO-MWBNBJEGSA-N	733.037	6.062	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408864348	YVYISZJLEPVURF-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl	408866660	HPQQKPGMQCRGOT-UJEJHLKSSA-N	576.502	5.275	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2Cl)cc1	408879591	FKTPFIOEXMJHKF-DEDYPNTBSA-N	537.424	6.768	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)c2C)cc1	408880502	KFXMMHMDUXQMPZ-XDHOZWIPSA-N	527.260	6.782	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1Cc1ccccc1F	408884859	VRADRGKFFZUNRC-GIJQJNRQSA-N	513.794	6.695	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OC(=O)c1ccccc1	408885481	AOKPLGFXWWSSEP-XMHGGMMESA-N	538.341	5.455	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1cccc2ccccc12	408890878	HULBEGOVBCICEX-HYARGMPZSA-N	526.976	6.715	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cc(Br)ccc1OC	408895898	OJIFNNJZPPUASX-ZVBGSRNCSA-N	535.030	5.145	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)c(Br)c1	408898945	YNQYEJCYVMUQPI-WOJGMQOQSA-N	605.124	7.407	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)ccc1Br	408904666	MUUOFORAGRMDRW-BCHBDCPOSA-N	614.107	7.156	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1	408926826	YOYOSQUGANKCHE-LTGZKZEYSA-N	512.543	5.160	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(I)cc1	408968248	UYWCFIDBTQUUSG-KVSWJAHQSA-N	563.754	5.307	50	40	KKGB	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccccc3)o2)ccc1Br	409003568	STYSUAOJMXNULV-UVTDQMKNSA-N	518.230	6.810	50	40	KKGB	
CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	409013629	LARXBTCWNYMTLO-CMRFDPCTSA-N	526.008	5.118	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1	409015767	FISUIGCNSGZQMN-YNFMAFFXSA-N	559.247	6.412	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1	409017902	GIQYAFDWPBIKIV-YGAQXOHOSA-N	654.517	6.646	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1cc2cc(Cl)ccc2o1	409021853	CBPOWJSUXGLOSM-DANHRZQXSA-N	542.633	8.043	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(Cl)cc1Cl	409032625	KCIXHVBOMSPCRM-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12	409041404	VQUJHHJNIXQIRV-KCSSXMTESA-N	536.975	6.806	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409159293	SGNMFIBAVRUBMO-VPUKRXIYSA-N	584.243	5.415	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl	409219710	PGSVRHRHYFZWNS-LFIBNONCSA-N	500.769	6.210	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc1	409223821	IMMZZQXAISPJCB-FRMLDZCHSA-N	643.450	6.001	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409225198	PMQLECOLJUBIRN-WOJGMQOQSA-N	554.828	5.983	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)n1	409228463	YZMVILMUZLCPLA-OXUBWTJQSA-N	633.193	6.747	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409241914	ZIGCKSRSCHTPRH-NHDPSOOVSA-N	630.258	8.508	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)C(=O)NCCCc1ccccc1	409249837	LVLRQBYAGNMPJQ-UCQKPKSFSA-N	519.395	5.382	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409250445	LVZWFXVRMOMATN-GRSHGNNSSA-N	615.855	6.133	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)cc1	409250508	MPYJLKHMJFJYKA-UDWIEESQSA-N	627.333	6.790	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1cc(C)ccc1C	409255577	METIVGANMUFELG-UDWIEESQSA-N	523.511	5.894	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1cccc(C)c1	409260353	PEQFLDXLZCCHTM-KMUKQRDJSA-N	605.720	6.961	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)ccc1OCc1ccccc1	409264884	LOJOFIGPCQQSFK-CLHYIUPASA-N	721.592	7.066	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)c(C)c1	409270141	CNFZAERUEKDBCR-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)NC(=O)C[C@@H]1c1ccc(Cl)cc1	409315580	NTEMCMOMBDCJLF-CQSZACIVSA-N	500.329	5.723	50	40	KKGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C)=C2C#N)cc1Cl	409316029	KIIOWSRGUZIJRA-HNNXBMFYSA-N	520.836	5.130	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409318323	UTYFCXLHELBNKW-RTWAWAEBSA-N	562.475	5.119	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)ccc1OCc1ccccc1	409321700	HANVDJGAKKFXSL-OHUYPAJKSA-N	549.454	7.314	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	409337433	YICOILXQSQKVOP-MNDYBZJGSA-N	544.435	5.881	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1	409378452	PJCMVVYIEHMAKZ-ODNPBWNPSA-N	656.164	7.396	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409384375	BVWOPRVOKFDKMM-KVSWJAHQSA-N	556.959	5.392	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)cc(OC)c1OC	409394457	AROGZVZVPMZNOY-UHFFFAOYSA-N	737.401	7.377	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)[nH]c12	409394701	DUNPYOAUKSDBEO-UHFFFAOYSA-N	679.796	8.559	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)cc(OC)c1OC	409394779	FTFCEKLWDXXJAN-UHFFFAOYSA-N	722.976	7.277	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccccc1	409395672	QMUVNMNXYYUDOG-UHFFFAOYSA-N	640.843	8.253	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409395894	SXPKYWJRCDGRFS-UHFFFAOYSA-N	572.448	7.524	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397574	LKEBGGLDYVPCBP-UHFFFAOYSA-N	634.947	8.739	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409399719	KXNNLNYHYWYDDC-LIZYOPNSSA-N	594.064	6.022	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccccc1	409403882	OJRYMQJUTKHBCK-OJYCWLPVSA-N	608.651	6.916	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409405430	UAEJOLLMRLFETR-GXBUFBABSA-N	550.659	6.836	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1893692	MWWHXISYAJZENB-WCMJOSRZSA-N	568.530	6.790	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)cc1	2190156	UYUQQUJVSSEOCW-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)N(c3ccccc3)c3ccccc3)NC3=C2C(=O)CCC3)ccc1O	2204173	QFLKCHDAKFKINX-GDLZYMKVSA-N	537.641	5.928	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2354360	UMLDPLAJLRVROQ-MUFRIFMGSA-N	515.639	5.194	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	2670736	HVMZSNJXIIHNJY-CXUHLZMHSA-N	514.821	7.500	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(C)cc2)n1-c1ccccc1	2738874	AQWQLKSJLCDMLB-ZOJKJTATSA-N	579.524	5.590	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1	3089047	BGDSESQGOYFTRR-AMVVHIIESA-N	519.907	5.425	50	40	KKGB	
C[C@@H]1CCc2sc(C(=O)N/N=C/c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)cc2C1	3424929	PMYWQBMZVWHNEA-PGYFOQMFSA-N	510.659	6.795	50	40	KKGB	
COc1ccccc1NCc1nnc(S[C@H](C)C(=O)N/N=C(/C)c2ccc(Br)cc2)n1-c1ccccc1	8399031	MSIYWOHZNYBADG-PDPJJGBVSA-N	579.524	5.672	50	40	KKGB	
CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)N1	20150281	FFSYKCNMFCPNPR-NRFANRHFSA-N	505.518	5.319	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2)cc1	59885302	FNILKHAQYUGUDD-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC)c(OCc4ccccc4)c3)n2-c2ccccc2)cc1OC	97939451	YJOKKTFXSMWTJQ-QXUDOOCXSA-N	609.708	5.782	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccccc3)=C(C#N)[C@H]2c2ccco2)cc1	97952120	LMCYGUHOVSXXOH-SANMLTNESA-N	527.602	5.407	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)c(Br)c(Br)c1O	97958051	MEXAMKGGZIZJSJ-UJGVCBIZSA-N	692.836	6.737	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	97964245	NSOBETPOFBTERX-XSYXJYRBSA-N	597.071	5.555	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965724	KVEGDEVJALMCLP-OOEWDAAOSA-N	518.216	5.919	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1Cl)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1	98008401	ZAFMHIHRFDZIHL-LJQANCHMSA-N	533.835	6.013	50	40	KKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1	100168353	DAZOHSZAWMRITA-ZBJSNUHESA-N	508.684	7.089	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)C(O)(c4ccccc4)c4ccccc4)c3C)sc3ccccc23)cc1	100305998	FHLIVVXLXJFLTK-FNTLCPBMSA-N	612.755	7.256	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccccc1O	100851151	FNTPFGCILIILRH-WGOQTCKBSA-N	522.428	5.035	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1	100869157	SDVRMFMVNOUNMT-GOHCDNDPSA-N	532.021	5.582	50	40	KKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC	100987648	GHZFRODLDNMYBB-VCHYOVAHSA-N	550.002	7.139	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(Br)cc2)cc1	100989391	NSQYQGBAHIFWQK-GFPZRUSRSA-N	587.326	7.129	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl	101573314	KYBBEUJIZGRQLS-MHZLTWQESA-N	576.505	7.587	50	40	KKGB	
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3cccc(C)c3)=C(C)N2)c1	102808377	BMQMPYWBMXNVLX-MHZLTWQESA-N	544.633	5.312	50	40	KKGB	
CC(C)OC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	102809322	FIVGSUDPCSZUGY-KAYWLYCHSA-N	576.074	6.021	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])N1	102917415	OLRFTTWOKZCLND-AREMUKBSSA-N	543.580	5.440	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2ccc(Sc3nnc(Cc4cccc5ccccc45)n3-c3ccccc3)o2)c1	103754441	CDQAIIABAUGDOX-QNKGDIEWSA-N	559.651	6.528	50	40	KKGB	
O=C1[C@H]2C[C@@H](SS[C@@H]3C[C@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@@H]3Cl)[C@@H](Cl)C[C@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl	150399415	BCRRQTMYMQMOAZ-WCYSPJDLSA-N	833.172	8.276	50	40	KKGB	
O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1)c1ccc(COc2cccc3cccnc23)cc1	150410543	UQYHINDLFDKVAW-UHFFFAOYSA-N	669.203	6.185	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2ccc(C)cc2)cc1Br	150462866	FYUCQLRKGHNWLI-VTNSRFBWSA-N	688.442	6.282	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	162482931	HNCWDOLSBLYJKM-ALQBTCKLSA-N	695.592	5.349	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795390	DCEHCDLESIVEJY-BETUJISGSA-N	972.209	13.092	50	40	KKGB	
CC(C)[Si](OC1=C(c2ccccc2)[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCC1)(C(C)C)C(C)C	195516990	IRPIUZBTCRUAMV-YJRBMFNESA-N	520.746	7.880	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1	408538524	OEWUWSFJVKIXPN-LGUFXXKBSA-N	522.576	6.928	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551054	JFUFQYHSYPMJGH-MHWRWJLKSA-N	510.402	6.693	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408581211	HQEHVZQNXSZDDR-YBFXNURJSA-N	531.777	6.605	50	40	KKGB	
O=C(NNc1cc(Br)ccc1OCc1ccccc1Cl)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	408608244	OVKITMZYWARTCP-INIZCTEOSA-N	532.797	5.317	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)CC2=O)cc1	408611901	XMBFOQOHXXNUQY-SFHVURJKSA-N	544.435	5.476	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638464	COWOVWOOFIDAKB-IMWYJMLKSA-N	756.483	7.817	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408640231	HRDLQPBCFZXMNJ-NCOADZHNSA-N	651.566	5.809	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408646934	JCVZBPDEXMPRRR-WOXFMHCJSA-N	643.159	5.400	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408718805	KWBVPGOKSPTIQO-SLKBDDNBSA-N	554.312	7.010	50	40	KKGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC	408724659	GQWGDUOUBQIURP-GDNBJRDFSA-N	510.759	5.678	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccccc1	408725285	KIOQHENJFFZYST-WQRHYEAKSA-N	526.330	5.130	50	40	KKGB	
Cc1ccc(OC/C(=N\NC(=O)[C@@]2(C)NC(C)(C)Cc3ccccc32)c2ccc(Br)cc2)cc1	408734074	HZHWVZNBKHKYFB-IAEPJQJBSA-N	520.471	5.497	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1C#N	408746325	YKERAYPDCZNCTO-NHDPSOOVSA-N	549.368	5.605	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	408746452	ZGQJTHJSHJCGEN-ZDLGFXPLSA-N	563.222	7.031	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408760157	SOGMCLCWXOPMKX-KPGMTVGESA-N	541.367	6.893	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1cccc2ccccc12	408763760	QRSAOUQXKQMNEZ-BUVRLJJBSA-N	588.445	7.276	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(C)n(-c3ccc(I)cc3)c2C)c1	408767195	JUNWFMWZTPDZSB-UHFFFAOYSA-N	570.862	6.524	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408767446	XSZJQSXAVHKNQS-OQLLNIDSSA-N	637.262	5.442	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408772529	MQIJFHCRIZCZNI-WQRHYEAKSA-N	518.482	5.637	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c(C)n1-c1ccc(I)cc1	408778909	ZOLKGUVXNZMSPL-NSKAYECMSA-N	576.649	6.188	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc2ccccc2c1	408790852	RNSARJQHZUDMRV-YDZHTSKRSA-N	608.863	7.621	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1	408795972	WSIITLCDEKSALE-CAOOACKPSA-N	550.225	7.211	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408798802	XAFPAXIKKLGDNN-KEBDBYFISA-N	536.382	6.107	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408814051	PRUHXFZETPJHLS-PPDIBHTLSA-N	650.223	6.060	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1F	408818112	XXMULHBVOSVUEY-DBFSUHOCSA-N	545.792	6.729	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2)cc1	408820988	BDIKRSYIIZWDPG-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408825266	JKOTWRQBTZEVSE-JJIBRWJFSA-N	584.426	7.061	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408825498	CTWUMAHMPITSMK-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccc(Br)cc2)cc1	408837461	GAVZNKDDOMMZLD-BIZUNTBRSA-N	635.540	5.121	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC	408842629	PFAKOYKUYOISHT-KVSWJAHQSA-N	616.403	5.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Br)cc1	408859959	WCHCPLKZINKTOL-YBFXNURJSA-N	531.219	7.393	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408864192	UJZRGRZNXRSDRP-QNVXDBMFSA-N	770.327	7.760	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(I)c1OCc1ccccc1Cl	408865680	DJPHZPOOFDTUDD-ZMFRSBBQSA-N	535.769	5.081	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc(OC)cc3OC)c2C)sc2c1CCCC2	408866764	GMTZJHAHJUQWMW-HYARGMPZSA-N	547.677	5.452	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408874049	YWGIDBYLYLWIBR-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c(OC)c1	408874472	CFDAALIJEIXBIF-KEBDBYFISA-N	571.855	5.931	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	408876897	RNDFJNWIYDPSHB-KULFSUQXSA-N	764.482	6.656	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408882250	LZKQZNNWFKVEKE-ATZGPIRCSA-N	660.949	6.175	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccc(C)cc1	408887725	SSMUPOTYKPAPRY-UVHMKAGCSA-N	540.439	5.729	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl	408898876	YCIDNXMTVYPHFR-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccccc2C#N)ccc1Br	408903965	BUAZRKFLBLMCJI-NVJOKUIPSA-N	715.127	6.573	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Cl)c(Cl)c1	408912427	QHXJYFQEASVMPI-OKCVXOCRSA-N	556.471	5.642	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1OC	408922689	QQFBBMGMKRSDOJ-OKCVXOCRSA-N	569.989	5.112	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1	408924639	NIIUNNVLPNDRHQ-LNKIKWGQSA-N	524.191	7.162	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408926720	XRMNQHWPXCCDSA-LICLKQGHSA-N	742.240	6.563	50	40	KKGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	408937637	KKURQGJQNQGNQW-KCSSXMTESA-N	566.054	5.399	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OCC)c2)c(OC)c1	408954354	NLNDNWSAEZYPOV-QZXARWBLSA-N	666.731	5.546	50	40	KKGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I	408983890	NZLWAGPNQSLRLG-XGICHPGQSA-N	531.575	5.570	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)cc1Cl	408984945	UOIYOOYHCNGBPH-IWIPYMOSSA-N	530.455	7.834	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccccc1Cl	408984954	UQVDYOUNFLEQHC-YBFXNURJSA-N	560.275	7.588	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(C)c1	408989036	JKUPINLJWNNALH-QRVIBDJDSA-N	535.869	7.573	50	40	KKGB	
CC(C)(C)OC(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)NN(c1ccccc1)c1ccccc1	409004981	YPEPGGJEWUMGFF-JOCHJYFZSA-N	699.327	5.907	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409006944	SVKKXVCCWUHLNW-RJJFLPMKSA-N	638.301	7.358	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12	409011057	DLBYSRNQSDRTRG-IQZQLMGCSA-N	588.104	6.141	50	40	KKGB	
CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409020201	ZUTZRMNNNZXXPT-ABFODGPCSA-N	599.946	6.710	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccc(OCc5ccc(Cl)cc5Cl)c4)cc3)cs2)cc1	409029358	AAOXODZLVKMYIQ-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Cl)cc1	409030667	FBCZMRUDDOAUFC-HQDYHJHZSA-N	540.450	7.860	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCc1ccc(Br)cc1	409039788	SDSBZAWEVMBGMN-GKVNEZTPSA-N	620.547	8.134	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccccc1	409045045	XVFIQWWRVHOKTD-DEDYPNTBSA-N	581.410	5.562	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(Cl)cc1Cl	409101789	RKCWKXYCJFECNI-VWLOTQADSA-N	511.361	5.918	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1ccccc1C#N	409102619	BMEWUGZSADAEKR-RUZDIDTESA-N	501.926	5.136	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409123587	DAMQIFUNYAUVAP-NSSDMECBSA-N	694.166	5.167	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNC(=O)CCCOc3ccc(Cl)cc3Cl)o2)c(Br)c1	409158556	XRAPEXXBOVNYBH-VFLNYLIXSA-N	567.267	5.750	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cc(OC)c1OC	409224446	KDVGKLGDPYRREP-UHFFFAOYSA-N	676.476	5.439	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccc(Br)cc1	409225986	SBEKCSVGUJRCLY-UHFFFAOYSA-N	600.469	6.392	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1cccc(C)c1	409226005	REIPMSUKTXPEDR-UHFFFAOYSA-N	535.600	5.938	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c(C)c1	409261576	DTVCHUIFIKVASS-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409265031	MHYVUDKPMMLHJS-JAIQZWGSSA-N	641.316	6.178	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)cc1	409270688	HCEROXRORPXDJZ-MOSHPQCFSA-N	534.410	5.638	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409272058	OCXBLRDKFNZCQM-MWBNBJEGSA-N	626.138	7.306	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409305724	WYAQOPWPWZTVIH-PMACEKPBSA-N	603.311	5.809	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc2c(c1)OCO2	409363499	MAMOKZNWZJXLHG-IDUWFGFVSA-N	641.630	6.921	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c1	409366822	YWVOSYOXJIQGED-QDTIIGTASA-N	658.705	6.438	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	409370918	DPUAHQJDUOGHND-KKMKTNMSSA-N	535.225	6.057	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1Cl	409371106	DEAVYWGWWREHII-QDTIIGTASA-N	536.799	6.226	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(C#N)cc1	409372159	PFDJTIMFSIJJLK-OCKHKDLRSA-N	528.631	7.380	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(C(=O)O)cc1	409372326	VPIKFYRAYQORPV-ZDLGFXPLSA-N	529.305	5.780	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br)Nc1ccccc1	409385587	LQXLBLUYUWEIBQ-LGJNPRDNSA-N	553.394	5.353	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409388217	UZEBGHXQWVERDU-CXUHLZMHSA-N	547.892	6.070	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(OC)cccc2c1-c1ccccc1	409395384	MZFMXQNLKLHWEX-UHFFFAOYSA-N	711.794	8.014	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)cc(OC)c1OC	409395406	NFBKTHNCCIRARF-UHFFFAOYSA-N	735.429	7.986	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409396611	ZIYQAEMDFRJMEF-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)c(-c3ccccc3)c2c1	409396620	ZKRRIZBJWSMROG-UHFFFAOYSA-N	596.481	7.288	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409397250	HXOYWWWOBGIBOX-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397893	PFQKUSWYFGNQLG-UHFFFAOYSA-N	558.550	5.427	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409398000	QALAXRJFDNTHFB-UHFFFAOYSA-N	610.066	7.216	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409399287	YYMSIRQSQGFQFQ-UHFFFAOYSA-N	547.611	6.534	50	40	KKGB	
CC(C)[Si]1(C(C)C)OC[C@@H]2OC(n3ccc(O)nc3=O)=C(OC(=O)c3ccccc3)[C@H]2O[Si](C(C)C)(C(C)C)O1	1081070662	LXZOPNOKKKUTCF-UPVQGACJSA-N	588.806	5.287	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1	1529547371	KSEKISYMNUOBLF-MWKDUONYSA-N	685.572	5.061	50	40	KKGB	
O=C(N/N=C/c1cccc(OC(=O)c2ccccc2Cl)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	3116256	QNIWBDSYMBNJTI-USKNDPDESA-N	567.985	5.209	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	6146257	HAOZZWHOTAFYNU-AJBULDERSA-N	523.614	5.956	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2c(Cl)cccc2Cl)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	9280152	KKRKWBUFJPVDCO-WMZHIEFXSA-N	504.377	5.056	50	40	KKGB	
O=C(CNC(=O)OCc1ccccc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	15228218	FOOTWMHBUNLFAT-WCMJOSRZSA-N	501.970	5.449	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC(=O)c1sc2ccccc2c1Cl	59500692	CDIMASYHLSTCMI-OKCVXOCRSA-N	514.990	6.700	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	59855872	UQSMEEMSWUMNFE-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	97950387	NCLAISCXYZIKRT-SSEXGKCCSA-N	530.653	6.546	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	97962792	BTWMLDFERWJZKX-DHRITJCHSA-N	576.519	5.377	50	40	KKGB	
COc1ccc2cc(/C(C)=N/NC(=O)c3ccc(COc4c(Br)cc(C)cc4Br)cc3)ccc2c1	97980805	XPGMRJSHLHDMRB-FDAWAROLSA-N	596.319	7.415	50	40	KKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)cc1	97980835	MMIBZYOBIWVQCX-ZXHXELASSA-N	542.680	5.340	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1	100063587	POSYBBFLBMQFLQ-RUMWWMSVSA-N	566.510	6.851	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100119306	MQMLEGBGGVEJDR-KPGMTVGESA-N	603.959	6.784	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1OCC	100183401	IHYOQRJRLJYEON-FADJLKOXSA-N	620.171	6.995	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nnc2-c2ccc(Cl)cc2)cc1	100851986	KGQGUDKWJMFFBO-XZYGTATASA-N	620.219	7.529	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1	100987607	ZPKPQNYUNRHRGE-CIAFOILYSA-N	553.993	7.531	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccco1	101156219	VTHKSLILUIVSGJ-AREMUKBSSA-N	543.601	5.026	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1	102569005	HKANXKFNBHQPAN-MUUNZHRXSA-N	529.706	7.315	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2	103888529	SXXSVOJWPOBLAH-UUYOSTAYSA-N	531.406	6.339	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=C/c1cc(/C=C/c2ccc(N(CCCl)CCCl)cc2C)ncn1	104050359	BVNYXORGCHEYLB-FCXRPNKRSA-N	592.442	8.002	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1	104954066	WJSDVEIZDBXXAG-RQZCQDPDSA-N	536.242	7.824	50	40	KKGB	
CC1=C(C#N)c2nc3ccccc3n2[C@@H](O)/C1=C\Nc1ccc(-c2ccc(N/C=C3/C(C)=C(C#N)c4nc5ccccc5n4[C@H]3O)cc2)cc1	150348139	SLFVAYAXFQWWPL-IBBYSXLQSA-N	654.734	7.648	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	150385549	LDCLCURQHGKQHQ-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
COc1c(I)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1I	150425169	VGXYIQHJTWKERR-WUXMJOGZSA-N	615.234	5.262	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(Br)cc2)c2ccc(C)cc2)cc1Br	211029389	MJUMCMHDKFXHDM-WPWMEQJKSA-N	609.340	5.264	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CC[C@@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)cc1	253617037	OJNMMFFBVGCZFD-KYDLNNBBSA-N	524.746	5.552	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br	408538341	LGUGIEFQCOJVDO-PDGQHHTCSA-N	520.265	7.025	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	408539920	KNGJRHGYQAQZBN-UYRXBGFRSA-N	519.867	7.396	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	408540450	SAALVEYQBXUQQT-YZSQISJMSA-N	583.482	7.470	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408543684	SBPXBKOGGCWYFL-NVMNQCDNSA-N	552.337	5.189	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Br)cc1	408543720	SIURFPGNQCVBBT-ODLFYWEKSA-N	507.340	5.281	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(Br)cc1	408570971	ZXVZPNUSCPABOF-RWPZCVJISA-N	573.534	6.044	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)CC2=O)cc1	408603944	HOYHZHPLIGRTSN-SFHVURJKSA-N	544.435	5.476	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408650270	MDEUACAOQHRFSS-HBMCJLEFSA-N	521.828	5.406	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	408718450	YCYNANRSGWJRPR-KBKYJPHKSA-N	526.601	6.392	50	40	KKGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1	408720217	WAWHYGXTYUAHQK-HZUVFDMRSA-N	559.544	5.760	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(Cl)c3)c2-c2ccccc2)cc1	408743759	UYEDRGOXGDBLNI-PPOKSSTKSA-N	520.032	7.627	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408754335	MSRXAOZPRWPAGS-YBEGLDIGSA-N	651.289	5.832	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccc(C)cc2C)cc1	408769661	YSRZZIISNFVNJJ-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408798171	UZUIMHICFQFHCD-RGVLZGJSSA-N	574.302	7.896	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408812363	ONXWWSZTFNACEG-MFOYZWKCSA-N	526.318	5.630	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2cccc3ccccc23)c1	408816868	VJMVJQICXSACKD-PXLXIMEGSA-N	513.391	6.736	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408819956	ZQAMLUHXFQFFPK-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(C)c(Cl)c2)cc1	408824990	COISNOLMWWCKQP-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408825690	DZEFULUMGPLERO-ODNPBWNPSA-N	646.087	6.682	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408840831	CBXTUVLUUUDBOD-LUOAPIJWSA-N	547.807	6.786	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	408843383	MALQSKWAWBCLME-QNVXDBMFSA-N	639.497	8.093	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccccc1Cl	408847285	USCJXFDKYAGMJK-ROPCREHHSA-N	589.039	7.229	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2F)c(Br)cc1OCc1ccc(Cl)cc1Cl	408850106	GCSYIMHDINVFKS-KVSWJAHQSA-N	540.216	6.637	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408852561	UEBDJCREQVKYPP-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408856324	FPFKBCFAHDVGLC-FDALDRLYSA-N	662.028	6.772	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408861616	DNXYTGQJPOJENJ-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc12	408863253	QOPKWQDMSHZJQH-KBKYJPHKSA-N	517.394	5.360	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408863807	UOQDVROKHRWAKS-BIZUNTBRSA-N	607.574	6.073	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	408870698	WLFUNZRLGNFLGP-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1Cc1ccccc1Br	408875952	IDEWCNSLFJCROF-LICLKQGHSA-N	607.673	6.852	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408877493	VLRPCUBLFFFDOO-PPFNPFNJSA-N	518.661	5.347	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(Br)c1	408882225	OBCZGBSHZXOWSQ-XYOKQWHBSA-N	565.605	6.887	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc(C(C)(C)C)c1O	408885468	AKDFJUPHKWOAEP-BIZUNTBRSA-N	531.653	6.557	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Br)C(=O)Nc1cccc(C(F)(F)F)c1	408886732	IOKLZNNKHZQGLJ-LICLKQGHSA-N	535.747	7.246	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1cccc2ccccc12	408890549	VNCMGLBBBIXNAP-KGENOOAVSA-N	503.385	7.280	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2OC)cc1	408890905	IGOIFKNYYLNPTK-CXUHLZMHSA-N	623.230	6.380	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OCc1ccc(C)cc1	408891017	KAAZHMYYCSROSD-UVHMKAGCSA-N	512.056	6.088	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccccc1Br	408900539	VWMYYSDZEJJBQL-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCc1ccc(Cl)cc1Cl	408900562	WCEVZAZMWXQYKY-VCHYOVAHSA-N	512.349	6.343	50	40	KKGB	
N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	408910215	JQGCQDGQWYHVIB-BIZUNTBRSA-N	540.417	5.286	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)cc2Br)cc1	408922644	FRXDZJPZLGBVJN-SFQUDFHCSA-N	666.291	5.325	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2Br)cc1	408922793	GPADFOZPYQEUBY-LFIBNONCSA-N	639.265	5.376	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C	408940799	CZFWYEOUZRUCQB-XIFFEERXSA-N	621.763	5.646	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408949475	IDGJMYIVXKNGIE-JAIQZWGSSA-N	569.286	7.082	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCc1ccc(Cl)cc1Cl	408955926	PQRYUMZGRJJXMW-AAXGDHPSSA-N	681.573	6.030	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)c(OC)c1	408957539	UVAWBPXNHRPHQZ-FAQSDZBQSA-N	818.534	5.027	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1ccc(C(C)(C)C)cc1	408965724	IDHLKJFHSOMICP-MUXKCCDJSA-N	561.318	6.446	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c[nH]c2ccccc12	408970639	JNTJHCVQIXKUFM-GWEOCKOESA-N	523.420	5.120	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1	408973623	ZQLLQIYYSDJSER-AMMWSMQKSA-N	604.534	6.526	50	40	KKGB	
COc1ccc(SCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)cc1	408998211	UAYBKTBXURFLMF-KYMQWJLESA-N	663.215	7.357	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1Cl	408999946	LXORPKUDTXFILH-APSNUPSMSA-N	719.100	7.025	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409002032	LQRPQOVNQWRPHS-PNOYGBBQSA-N	665.382	6.811	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409015049	ABBAJBXSDPNZMM-UHFFFAOYSA-N	679.261	8.395	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12	409031819	BMKMKSHUEWPMLU-ATZGPIRCSA-N	660.322	7.678	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1cccc2ccccc12	409042794	XTQVVAGWIJPCNA-DBSPGSINSA-N	572.064	8.060	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)c1nc2ccccc2o1	409044223	UNUICNQAGMOJTL-CXUHLZMHSA-N	528.175	7.135	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1	409049210	VPUCGQHFWMORAN-CXUHLZMHSA-N	562.645	6.695	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1cccc2ccccc12	409053030	WGHVBLVKGLXLBI-FJEPWZHXSA-N	584.841	6.758	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409067691	QTLMNMJHXYCAQT-LFIBNONCSA-N	503.363	5.315	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1	409218732	KCFPFHANMXVYNU-SFQUDFHCSA-N	510.775	5.666	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1OCc1ccc(Br)cc1	409220714	DUUFIDODLWNZLG-LQNQUEJISA-N	525.418	5.987	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409224839	NAWLWHDRDRBLKE-ABEZVHOPSA-N	579.525	5.138	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1C#N	409231953	LXQQPVMWAXDZEK-JMIUGGIZSA-N	570.365	6.863	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409253952	CIPDRYSAUKFAKP-YBFXNURJSA-N	550.409	5.343	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br	409256451	ORGIVPMMHZIOGX-ZMFRSBBQSA-N	545.231	5.301	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1	409260261	NLLBIXRXOPVJJZ-APTWKGOFSA-N	577.666	6.344	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(F)cc1	409266543	ZUDSVCAJEWJXHB-OQLLNIDSSA-N	607.661	6.567	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)ccc1OC	409310890	CLNDXFYCKLFRTP-VYYCAZPPSA-N	562.258	5.962	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409316114	LAGQOSZAXBTIBV-BJUCDSOZSA-N	701.436	7.361	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OC	409322616	KDYDRXFCYQPZPB-UHBFCERESA-N	584.467	5.345	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409333430	PDSDAZRBWNCOKW-MNDYBZJGSA-N	560.434	5.581	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409364500	XFPVWQZPVXAJIT-XAZZYMPDSA-N	646.177	7.269	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	409372715	HJPGULUNCQHIBS-ATZGPIRCSA-N	529.423	7.651	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)[nH]c2c1	409373989	JEBHIOJJYGWPDQ-BOPFTXTBSA-N	505.347	5.855	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1I	409374413	OYILGRGZELWYAU-ZSOIEALJSA-N	565.152	5.157	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409374855	AMLMZLBXKJGYAY-JAIQZWGSSA-N	586.386	5.273	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396509	USNWJVOTZLLGNV-UHFFFAOYSA-N	561.638	6.788	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1	1529548367	DWLJERHVVDMSTM-YMEQDBNJSA-N	773.606	5.062	50	40	KKGB	
C[Si](C)(C)Oc1ccc([C@@H](Nc2ccc(F)cc2)/C(CC[C@H](O[Si](C)(C)C)c2ccc(F)cc2)=C(/[O])N2C(=O)OC[C@@H]2c2ccccc2)cc1	1560407433	BOVSCMOPEQPURU-HPJTWKJOSA-N	715.966	10.540	50	40	KKGB	
C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	1889253741	IDKDEJKAOLGAAX-YCAHYCDJSA-N	604.619	6.173	50	40	KKGB	
Cc1n[nH]c2c1[C@@H](c1ccc(OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)cc1)C(C#N)=C(N)O2	1097790	CIBBOZMAVATUCA-FQEVSTJZSA-N	522.348	5.426	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	1102426	VPLIYTXVFBTUGV-NDEPHWFRSA-N	508.647	6.010	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccc(Cl)cc1)N2	2060560	NCAUWHCQRGJPCQ-DROZZWDISA-N	515.418	6.985	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	2089567	OSPNVJTWSKVMLI-PIIWDFAUSA-N	541.007	6.345	50	40	KKGB	
CCOc1ccc(C2=C(/C=N/NC(=O)c3ccc([N+](=O)[O-])o3)[C@H](c3ccccc3)c3ccccc3O2)cc1	2269456	DXVJWFQKGUSEPC-BIAHDLMSSA-N	509.518	5.938	50	40	KKGB	
O=C(N/N=C/c1ccccc1Br)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1	2629271	XCLJXRJSVKNQKC-JFLMPSFJSA-N	520.408	5.075	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)cc1	2769255	GCBUUWKHEMAVFX-LYBHJNIJSA-N	507.634	7.097	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1Br	3656999	NOHGVOBSGVBRAI-XAZZYMPDSA-N	597.351	7.176	50	40	KKGB	
COc1ccc(-c2csc(N(NC(=O)Nc3ccc(Cl)cc3)C(=O)NC3CCCCC3)n2)cc1	8754377	FQKOZPLMBQAADH-UHFFFAOYSA-N	500.024	6.058	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1	12250211	OHPISMRHXVTJDY-AREMUKBSSA-N	502.039	6.617	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1	20243679	UWVKNGYVLRVTMK-WYMPLXKRSA-N	501.406	5.148	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NC[C@@H]1CCCO1	27021254	PMMBBBZYAGCBMG-LRNOEHBCSA-N	504.590	5.320	50	40	KKGB	
COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1	59222169	RPORRFOQVVCEKR-RDRPBHBLSA-N	540.458	6.369	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	59646258	NZVNPWUIJQRSBN-FDAWAROLSA-N	552.483	6.461	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2nc3ccccc3s2)N1	96934302	ZRNWIADKMMDCIO-DEOSSOPVSA-N	584.708	6.206	50	40	KKGB	
COc1ccc2nc(Cl)c(/C=N/NC(=O)COc3ccc(-c4cc(-c5ccccc5)c5cc(Br)ccc5n4)cc3)cc2c1	97962733	QLGDVUAWBRWFEU-SAEPALGJSA-N	651.948	8.071	50	40	KKGB	
COc1ccc(Cl)cc1N1CSC2=C(C#N)[C@H](c3ccc(OCc4ccc(Cl)cc4)cc3)CC(=O)N2C1	98048462	IVWBQYHFYPGUMT-QHCPKHFHSA-N	552.483	6.800	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)c1	100125062	MRJZBCOGSDUKSB-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240879	NKERJBQYTNWFIH-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1	100351089	YXHIMNUWHWWUHU-GUBAARJWSA-N	620.775	6.879	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1cccc2ccccc12	100853289	NMMUCXRUVBLFOF-AJBULDERSA-N	526.065	6.682	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100873257	FPOFBWAIUZZUKR-JSIHEXFSSA-N	522.399	5.653	50	40	KKGB	
Br[C@@H](c1ccccc1)[C@@H](Br)c1ccccc1[C@H](Br)[C@H](Br)c1ccccc1	101020831	YSPIMIGNBZAYHT-LRSLUSHPSA-N	602.002	8.831	50	40	KKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Br)cc1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1	101534192	NHVJFBJLLBRXAC-AQLQTECXSA-N	600.420	6.582	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(Cl)c3)=C(C#N)[C@H]2c2ccco2)cc1	102808230	NGAANCDLKAGUQX-SANMLTNESA-N	549.052	6.038	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccc(Br)cc1	103889267	IWMCURIDBNDPEM-AQTBWJFISA-N	539.260	7.613	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)cc1	103901095	OHFREYPIMPSCMR-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
COc1ccc(/N=N/C(=N\NC(=O)c2cc(Br)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2OC)cc1	104316843	ABCAFUPWMLRGJX-QEEVISEHSA-N	604.465	5.681	50	40	KKGB	
CC(C)Cc1cccc(C(C)C)c1NC(=O)CCC(=O)N/N=C1C(=N/NC(=O)CCC(=O)Nc2c(C(C)C)cccc2C(C)C)\[C@@H](c2ccc3c(c2)OCO3)Oc2ccccc2\1	150435034	GOYJSRGDJJYCTP-VEBWXOACSA-N	843.038	9.248	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	159326349	FZMLRYHPFPQTAX-OCHFTUDZSA-N	686.314	5.160	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795366	NSCZBJZJRFUNMQ-TXEJJXNPSA-N	658.140	8.890	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2cccc(I)c2)cc1	198305382	ZBDZDQIVKLHUQP-NJZRLIGZSA-N	639.515	5.849	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1Cl	216042524	VKGNHWDTBVHLNF-MUXKCCDJSA-N	515.835	6.000	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	408536644	AFYJVZLIMOMRPZ-RRAHZORUSA-N	518.613	7.097	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccc(Cl)c(Cl)c1	408554233	QXVFVEZIKIFEBH-IRWBXMRWSA-N	685.420	8.949	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408569115	YVAVVELKSZSREZ-WKULSOCRSA-N	697.311	6.373	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408637739	AXVFJRNNKQGMEY-FZDBZEDMSA-N	651.566	5.809	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408644730	ROFAQSQCUFXWJX-FQEVSTJZSA-N	560.777	5.435	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1	408659557	VYAPRKYXCDBZHG-IOXUAXACSA-N	659.158	5.020	50	40	KKGB	
CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)c(C)c2)CC1=O	408668923	RKPPVHXIUSEJML-CWNIEYAFSA-N	672.414	5.361	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(I)c1OC(C)C	408710647	BZUSWNXRQFLGEQ-FOKLQQMPSA-N	561.214	5.012	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(Br)c1OCc1cccc2ccccc12	408724350	CCKSBLUHIPNQDG-OKCVXOCRSA-N	518.411	5.926	50	40	KKGB	
N#C/C(=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408756859	UUQDTMVHJDIOFF-GDNBJRDFSA-N	518.334	5.215	50	40	KKGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1	408761603	GWRBFECXJHGGJC-KKMKTNMSSA-N	528.421	5.130	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1I	408767649	ZJKXCNFBMSCWST-JWGURIENSA-N	530.365	6.569	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(OCC)c2)cc1	408791085	SZNOQEFIBUHNJR-OEAKJJBVSA-N	563.448	6.458	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408792549	KSSMJWJYMIPZCS-LICLKQGHSA-N	524.327	5.196	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)c(Br)cc1OCc1ccccc1	408803780	ALAIHDJTSOWIQC-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408810064	LLWKDTQIWDGKOM-LPYMAVHISA-N	582.438	6.440	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Br)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408829922	OZJSKKLVBXOVQF-LJUMEUDFSA-N	623.529	5.139	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408839121	NJYSILDQIXPNGR-ODQASSKESA-N	815.862	8.631	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2Br)c1	408840188	CIEQUXUETZSGIK-IIHBXENTSA-N	682.360	8.011	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408841193	JMJZZSJVLSVMOH-JWHWKPFMSA-N	603.144	6.253	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408842367	JMGOSKYYKHJXGE-DNLMRDPPSA-N	625.062	7.098	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408845203	PKUNBJSJXGGMKK-IURWMYGYSA-N	692.817	7.438	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2Cl)cc1	408846125	XOUSZGYJXVFRAB-HIWRWHBISA-N	559.013	7.139	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Br)cc1	408850074	FFYFYZAINDDFRZ-SXGWCWSVSA-N	611.117	7.652	50	40	KKGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408856954	IPLREYHCEHDSGA-FDAWAROLSA-N	552.027	5.404	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408859312	VNEFSLHXZZWLRV-FTCYSYDXSA-N	596.692	7.897	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1Cc1ccccc1Cl	408866799	IOIOQYMJDWSKDZ-LICLKQGHSA-N	546.767	6.229	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Cl)cc1	408872026	JFWAGUPVULERKG-KGENOOAVSA-N	523.814	6.416	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Br)C(=O)Nc1ccccc1Cl	408877168	QLSJHDLHFOPNAT-LDADJPATSA-N	530.647	7.001	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl	408878739	CYXXRGQPMUZPDM-MHWRWJLKSA-N	516.178	6.521	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408881355	KUHCEZQKTCWQBM-CIAFOILYSA-N	521.411	6.295	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408889070	BJSJIFBBZDSIHM-XNTDXEJSSA-N	639.811	5.175	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	408923401	XDHQOTPTGLXYHK-XODNFHPESA-N	574.806	5.467	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2F)c(I)c1	408939718	BHPBJJQHGNATFC-MHZLTWQESA-N	781.442	5.657	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)c2C)c(OC)c1	408949490	FOQVRDBWWRQLRQ-BUXFWQKASA-N	734.637	6.709	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1c(C)cc(C)cc1C	408980480	RFFIYYOPWIEUPG-IXLGETPNSA-N	599.753	6.068	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(I)c1OCc1ccc(C)cc1	409017703	GREJRBRADASCGJ-MNDYBZJGSA-N	581.410	5.265	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1)c1ccccc1	409026146	HJUBFIWHONWZPI-RHOKBWDTSA-N	614.724	5.040	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(O)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409037296	TYEOOXVDHFUKJW-ZMFRSBBQSA-N	572.200	5.738	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc(Br)cc1	409055423	IPBWBXBBHFNMLA-NINHOHATSA-N	597.291	5.918	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc2ccccc12	409076754	BRPQHCNTVLGJHS-MBTHVWNTSA-N	534.366	5.862	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(F)cc1	409080415	NPCHJSPEAXIEIG-NTUHNPAUSA-N	540.256	7.397	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(Cl)cc2)cc1	409114544	HFRGWBLWDJEHLL-VUTHCHCSSA-N	544.073	5.263	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	409138006	YECAXQLFOMFADT-OAQYLSRUSA-N	520.210	6.150	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409140630	GZMZKIXYVKVGOF-VWLOTQADSA-N	554.460	5.550	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c1	409222175	AOSTUYHSTPVIRE-UHFFFAOYSA-N	651.857	6.255	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2cccc(C(F)(F)F)c2)cc1	409224953	OJEKNAIMTLWMKL-HQDYHJHZSA-N	590.514	5.778	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(I)cc1	409242781	TUQILVAFRMAICK-FPJJECCMSA-N	678.308	6.658	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1	409243150	ZEXGMVBJJVLBOI-NSKAYECMSA-N	554.297	5.984	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409250734	NVAFESJZAFVNLH-QRAWFLTRSA-N	596.421	5.751	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1	409257158	RERXDDBFICZAJS-ZRGSRPPYSA-N	565.649	5.646	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409259632	BSJCIWWLILRJJO-QRVIBDJDSA-N	623.491	6.487	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409261817	BTOFWYXEBYYPCM-JWJYRJCCSA-N	526.420	5.393	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1OC	409317044	NRETXDPRUOQLML-WGARJPEWSA-N	571.340	5.395	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1	409363104	JMMIGRIYTJMXPC-ZRGSRPPYSA-N	504.743	5.023	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(OC)c1	409372676	GGVYZUREDQQULF-DPNNOFEESA-N	525.004	7.007	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(O)cc1	409377041	FNIQLTJHBKPHLS-SXGWCWSVSA-N	518.194	6.586	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409381265	DZTGWBYPBPFQGO-KKMKTNMSSA-N	651.714	5.501	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)c1	409394490	BBFAPVAAHKRNNW-UHFFFAOYSA-N	627.882	7.114	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409396952	DHLLUWYXVSAOPE-UHFFFAOYSA-N	676.951	7.650	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409398495	UARCAOUPQOFWOW-UHFFFAOYSA-N	528.568	6.088	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409401226	GZIRHNQCJAIUFJ-NUJZUDFISA-N	595.406	5.626	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccccc3)o2)cc1	409402675	KMHFGKFDJXGOPZ-FZKWRIDDSA-N	598.497	7.372	50	40	KKGB	
C#CCOc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1[N+](=O)[O-]	409405912	VGTIEUKYPIHZOG-UHBFCERESA-N	591.418	5.713	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)Nc1ccccc1	409406913	YABDEGOGNNTQDR-WBIBEUCMSA-N	671.548	6.819	50	40	KKGB	
O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)CBr)OCC1c2ccccc2-c2ccccc21	952958882	GZYFPGYNTQZPEB-QHCPKHFHSA-N	509.356	5.009	50	40	KKGB	
CC(C)(C)c1ccc([C@H](N[S@](=O)C(C)(C)C)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)cc1	1857795209	VJTIVTACNRPUBZ-BABHTTKWSA-N	659.876	9.315	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	1438178	MBWJISRSUJGDHH-RUZDIDTESA-N	535.094	6.417	50	40	KKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2	1805829	OEWUXLCXQPIEAF-JLHYYAGUSA-N	511.943	5.781	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	2216201	XMQITQVBHLNMNB-FAOGAKCWSA-N	547.891	8.143	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C	2554582	UIYQJJPTFGQQDV-NFHYYMBESA-N	556.902	7.329	50	40	KKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1	3206207	LHJGOQZTRQMHRF-XDHOZWIPSA-N	500.451	7.155	50	40	KKGB	
Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	3304839	YDTHRSFXWFGDQI-UHFFFAOYSA-N	596.068	5.566	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c(C)n1-c1ccc(Cl)cc1	3307247	WYTMPSXYBUUBNX-MUFRIFMGSA-N	541.460	5.966	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2[N+](=O)[O-])cc1	3323693	ZOFZZBQTKDFTCG-FCDQGJHFSA-N	533.584	8.023	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)c1	8811201	SIWJNVSYKUIPFF-FJEPWZHXSA-N	509.389	6.507	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCc1cccc2ccccc12	9028258	MUGMRZBARINUDY-RWPZCVJISA-N	507.384	6.245	50	40	KKGB	
CC(C)Oc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c(OC(C)C)c1Cc1c(F)cccc1Cl	12856526	MOOWNRKQNDLZQT-PXLXIMEGSA-N	528.045	6.983	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c(OC)c1OC	19826004	YKLKKMCBYWMLKQ-MUXKCCDJSA-N	525.030	5.006	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1	19939899	TUGFKSHXSZBIKD-GDLZYMKVSA-N	522.674	6.264	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	59485182	PFBUHGGDKCCDQD-ODLFYWEKSA-N	503.223	7.798	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1	98048738	YGSGUDTXYOSJON-MUUNZHRXSA-N	529.061	6.704	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1	100336170	HFEDRVJMQXGNNH-JAIQZWGSSA-N	572.830	6.695	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C(=O)OCC)cc2)=C(C#N)[C@H]1c1ccco1	101156054	CXJUPQJTCWARAL-VWLOTQADSA-N	557.628	5.225	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1	101273283	HJVZZKZPXPKGIA-HSZRJFAPSA-N	524.440	5.246	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)Sc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1)c1ccc2ccccc2c1	102436893	YKBDCHMVQWCOGL-SGOVFIMHSA-N	569.134	7.015	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2Cl)N1	102808797	IZQJJLCJHCMWHR-VWLOTQADSA-N	581.525	7.218	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccccc1	102933417	GJPDEEGIFYOPBI-XDHOZWIPSA-N	569.355	5.723	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	103610306	ZPBDOYBWJXNUBT-CPNJWEJPSA-N	530.524	5.726	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	103890412	ROGCGUXDHRUANA-MFOYZWKCSA-N	546.794	7.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl	105134514	UJYQNZNSDGXIAD-AWQFTUOYSA-N	525.388	5.923	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	112264990	ZIVQRMJGSALWLJ-LUOAPIJWSA-N	589.644	6.603	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C(=O)[C@H](Br)[C@H]2C1	118930515	JORIUVUQFBFOKU-XERPSOOMSA-N	523.596	7.592	50	40	KKGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)cc2)cc1	150451709	SYNJASMKPQSMDG-UHFFFAOYSA-N	688.984	5.964	50	40	KKGB	
CCCC[C@H](CC)C(=O)O[Si](OC(=O)[C@@H](CC)CCCC)(OC(=O)[C@@H](CC)CCCC)OC(=O)[C@H](CC)CCCC	195773465	UNKOLEUDCQIVBV-LAJGZZDBSA-N	600.910	8.460	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OCc1ccccc1C#N	408544190	SSTHUHVMZFRXIA-UFFVCSGVSA-N	560.395	6.308	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553431	YZFMODLAHCZHHB-VCHYOVAHSA-N	552.881	7.039	50	40	KKGB	
O=C(COc1ccc(Cl)cc1NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1cccc(Cl)c1Cl	408612751	YPBFESXMUKJZRW-OAHLLOKOSA-N	547.826	5.161	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408652447	ONXKLIDYRUUGPF-QVWZKCLOSA-N	568.284	5.916	50	40	KKGB	
COc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@@H](Br)c2cccc([N+](=O)[O-])c2)cc1OC	408668179	CTDBYSBZQCFGMQ-JTHBVZDNSA-N	514.328	5.157	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccccc1F	408676629	LNVWKGLPXXKHEH-OCSSWDANSA-N	587.433	5.772	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408686594	SBSRBSFILSJEOA-GFBDQPOWSA-N	646.119	5.237	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1Cl	408735570	UMCFYVFVFBJWLL-GIJQJNRQSA-N	654.673	6.982	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(Br)cc1	408788429	KAEWNUIUELNVPC-VXLYETTFSA-N	604.726	7.697	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc(C)c1	408791779	CIEFCXYKGLLDSE-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc(Cl)c1	408808468	JBBVNCVAGBUZIO-RGVLZGJSSA-N	572.830	6.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccccc1	408825120	RLIQAVNZGDZNJK-PCLIKHOPSA-N	573.476	8.096	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408827389	CUCNKYDIEGMMGF-UFFVCSGVSA-N	707.235	9.775	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2cc(C)ccc2C)cc1	408828125	IXRJKMVSKFIXNN-WCMJOSRZSA-N	570.498	6.524	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408831144	PYFQPNJFRQMZDE-WSDLNYQXSA-N	672.790	9.122	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408833728	USDLVWKQKDMAHX-BUVRLJJBSA-N	607.921	8.749	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1O	408838115	CEOGZWUGBSYZLK-XODNFHPESA-N	527.433	6.729	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408838433	FHVIFMWOVJPZGT-FJEPWZHXSA-N	551.455	6.645	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)cc1	408841170	FWINGCFOHXJGOO-AMVVHIIESA-N	511.573	6.314	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1cccc(F)c1	408849639	XXFAVMWGIWQDRU-MYYYXRDXSA-N	509.581	5.889	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408850604	PCTPEMPYQYZYAW-PPDIBHTLSA-N	701.096	6.747	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)c(Br)cc1OCc1ccccc1Cl	408852914	OKIMRYSVLSDHBX-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc(C)c1OCc1ccc(Cl)cc1	408852930	OLVMMOHBLVEGJH-UVHMKAGCSA-N	501.808	5.827	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408863449	MTOZQOQRCBDGMK-MUFRIFMGSA-N	606.926	5.330	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Cc1ccccc1Br	408867490	IRMUVZXNOUBNPG-LICLKQGHSA-N	516.222	6.901	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1Cc1cccc(F)c1	408872914	LHJYUFJCIWPYSG-GIJQJNRQSA-N	560.794	6.619	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c(OC)c1	408882951	RXOHIFRVOBRUBE-RGVLZGJSSA-N	541.829	5.922	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1cccc2ccccc12	408886219	FKQJKJIZRIYYBR-FYJGNVAPSA-N	503.385	7.280	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2OC)cc1	408890487	UOMMCXVWNPNJFN-LICLKQGHSA-N	552.337	5.139	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(I)c1	408893182	FYHDBUPQIVKOJD-WOJGMQOQSA-N	514.750	6.069	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904422	JELFSVGCWBBKEN-BCHBDCPOSA-N	654.642	6.704	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(OC)c1	408922500	FMFSUNBSGQODPU-HOLCBCJUSA-N	650.519	5.335	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2Cl)c(OC)c1	408942517	GBSVBCDTDNSZIA-NDEPHWFRSA-N	749.027	5.417	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)NCCc1c[nH]c2ccccc12	408948796	GWZKNUBJJNJWEQ-JAIQZWGSSA-N	569.286	7.082	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)c(OC)c1	408955757	PEXKNKGEXJLHSD-OLDUKCEXSA-N	762.985	5.261	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)c2ccccc2)cc1	408978297	HWCPRYKKJMXJQL-RTQNPRDOSA-N	564.711	6.116	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)OCc1ccccc1	408990888	OTMOSNUEYDWGQU-AJYBZYAISA-N	547.615	5.130	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)OCc1ccccc1	408993144	UVJXYIPWYCXVFI-RHAHRWEWSA-N	752.835	5.746	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)c1	408998059	ABPQECPODQALEG-MUFRIFMGSA-N	546.377	5.586	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2I)cc1	409001357	PIYFGRJLLGDIIQ-IPPBACCNSA-N	676.248	6.090	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1	409031355	ATDBRBSIXLLIFU-XZYGTATASA-N	661.927	7.901	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409082758	NAKMYNMWALJKQO-RQZCQDPDSA-N	614.352	6.071	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	409120439	VYGWXNNPOCRHHY-QLQYKETESA-N	625.678	5.675	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)Cc2ccccc2)c(C)c1	409142032	POEUIQUMQSUJJB-UZWMFBFFSA-N	541.673	5.745	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Br)c(C)c1	409151935	ICVIAAKUHXWSOD-IPPBACCNSA-N	632.309	5.025	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3Cl)c(OCC)c2)cc1	409163300	PDWZWSSDVUNQGH-WCMJOSRZSA-N	676.895	5.014	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1cc(Br)c(O)c(Br)c1	409186767	HPSAMJPTQHOWFF-NSKAYECMSA-N	661.970	6.785	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(C)cc1	409208078	ASBIOMWHSZUHSB-OCSSWDANSA-N	509.071	6.597	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cccc1[N+](=O)[O-]	409219793	UUPCACNXDICNQO-DLCNMLRHSA-N	663.039	5.518	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409224361	JGNXDEHZSYZKQH-ACXHZZMFSA-N	577.380	6.137	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409230212	CLNGQDTVHNPNSL-QOMWVZHYSA-N	536.657	6.810	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409249025	GGYQCTBSWZYSAH-XKZIYDEJSA-N	653.473	5.657	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)c(C)c1	409262787	HEPKUBPPRDIXQU-SRZZPIQSSA-N	522.432	6.790	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C	409267973	XKAXSTAMHWASKE-GIJQJNRQSA-N	651.277	7.410	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1Cl	409270360	DRLCEIHDSSJPJD-YVLHZVERSA-N	559.247	6.628	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)ccc1OCc1ccccc1	409312154	JQWLWEBYAKKLJF-MNBJERMJSA-N	545.433	6.380	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1OC	409321767	JENDQZVUYOLEJE-FDVSRXAVSA-N	608.860	6.094	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OC	409324525	UQHGCJWMJDEVFZ-CAQPMQTCSA-N	624.475	6.593	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cccc2ccccc12	409325316	XWZTWOOUUXTSOJ-NDENLUEZSA-N	553.681	8.661	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409353506	MGWFLEBIWHKMBW-LGJNPRDNSA-N	624.229	5.704	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2c(O)ccc3ccccc23)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409373111	PSPLVJMTCIWXPK-CNCDYAKUSA-N	584.525	6.119	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(c1ccccc1)c1ccccc1	409389956	BEBNEZWEPKKAGM-LJUMEUDFSA-N	717.301	6.665	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)[nH]c12	409395261	LRRLJPCJLSABBI-UHFFFAOYSA-N	746.239	8.667	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)c1	409396989	DSPPARYBSMYZBV-UHFFFAOYSA-N	532.987	6.652	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409397748	NODZOVRMBZURPP-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409397892	PFGQXHNJSXGIKE-UHFFFAOYSA-N	542.422	7.433	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398210	RSLDGJHUJGNFCS-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)O)c(I)c3)o2)cc1	409400016	AXXAMFUPJDMUKJ-NUJZUDFISA-N	613.408	5.098	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(Cl)cc1	409406918	YBAIIXOGDMSWKJ-VHFSBPNMSA-N	709.968	7.876	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccccc1Cl	409407299	ZHSZEFSNGWOEPI-FRKGHFGRSA-N	755.891	9.186	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccccc3)o2)cc1	409409112	NFBAXVFCRKEJAI-APTWKGOFSA-N	578.581	6.157	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1	1529549459	ZOEFGNPWCPOIQN-ROKSKZBTSA-N	716.998	5.475	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Br)s3)nnc2-c2ccccc2)cc1	1750675	YLXQTRVZNBCEEC-ZMOGYAJESA-N	512.458	5.309	50	40	KKGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3c(C)nn(-c4cccc(Cl)c4)c3Cl)cc2)n1	3320077	CQYMPJNGUPSWHU-XODNFHPESA-N	525.465	5.951	50	40	KKGB	
CC(=O)[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](C)[C@@H](C(C)=O)/C(=N\NC(N)=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	4266911	OWHOMSYXRWWYIM-QTNZGEPPSA-N	563.780	5.496	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl	8427213	UXTXBPOFVQRXAY-XMCXBJNASA-N	518.820	5.094	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccccc1	19950063	DEXZILZVNBDGAV-AJBULDERSA-N	523.614	5.347	50	40	KKGB	
CCCCCCCC(=O)N/N=C1/CC[C@H]2C[C@H](OC(=O)c3ccccc3)C[C@@H]1/C2=N\NC(=O)CCCCCCC	33354023	PJTFIWCSJCSZJI-XWCFPNFESA-N	552.760	6.697	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1OCc1ccc(Cl)cc1Cl	59435263	SODICNDAENJZLA-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(SC)cc3)c(Cl)nc2c1	59646597	LNPONPZRZUDCFN-MUFRIFMGSA-N	569.108	5.273	50	40	KKGB	
O=C(Nc1ccn([C@H]2C[C@H](I)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1	82186420	OLTSJGCPXISYSI-LHHUKBANSA-N	683.546	6.595	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)n1-c1ccc(Br)cc1	97980679	ZDBGDURNQJFOHR-XLNRJJMWSA-N	529.442	5.338	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(C)cc(C)c2)N1	98048610	VJLWNDCIMIXKDE-AREMUKBSSA-N	567.498	6.910	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(Cl)cc2C)cc1	100122536	QBQXCNKGRJSDIK-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
COc1c(Br)c([C@H]2ON=C(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)[C@H]2C)c(Br)c2c1OCO2	100237726	VAGIKPSHXOMLKQ-UNWRKOATSA-N	595.288	5.460	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)Cc2ccccc2)cc1	100350417	PEAMNQGJUSLHBU-KYHGBAKBSA-N	599.540	5.751	50	40	KKGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	100397023	ICKSPVIGFKPECP-QXUDOOCXSA-N	584.901	7.756	50	40	KKGB	
CCS/C=C(/NC(=O)c1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100470984	UFZCUKMEKYGZIE-SLMZUGIISA-O	503.027	6.616	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1Cl	101304999	XHJKMMCCDQLUEO-AREMUKBSSA-N	544.076	6.417	50	40	KKGB	
CC1(C)[C@]2(C(=O)Nc3nc4c(s3)CCCC4)CC[C@@]1(C(Br)Br)[C@@H]2Br	102729774	CBGCKYQNLWIFBQ-MZPVMMEZSA-N	541.147	5.646	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1	103885586	RQSRYRVHUZSGRL-AUWJEWJLSA-N	590.053	5.390	50	40	KKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C(F)(F)F)C3=C(O)CCCC3=N2)c1	104130394	FKTKNUWHSBAIPV-DEOSSOPVSA-N	511.569	6.964	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc(Cl)cc1	112264479	FSNFBHRCKPGJPG-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc23)cc1)NNC(=O)c1ccc(Cl)cc1	138698774	MDPJBLJOAVHBBP-UHFFFAOYSA-N	560.006	5.399	50	40	KKGB	
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1SSc1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N	150353880	KYWRZLCFDFEWBI-UHFFFAOYSA-N	704.296	8.416	50	40	KKGB	
O=C(N/N=C/[C@H]1C[C@H]2C[C@@H]1[C@@](F)(C(F)(F)F)C2(F)F)c1ccc(Oc2ccc(C(=O)N/N=C/[C@H]3C[C@H]4C[C@H]3[C@@](F)(C(F)(F)F)C4(F)F)cc2)cc1	150391499	UPUXRHBPMMZVJF-NJYCJFKMSA-N	742.561	8.034	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	150433907	PERXLYBSOGUYRR-ATZGPIRCSA-N	633.985	6.799	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	162478750	SHNKZEPTQMWTGC-ALQBTCKLSA-N	666.594	6.008	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1	162484113	JXLFWBBAZKOLJV-VTNSRFBWSA-N	687.956	5.944	50	40	KKGB	
C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O[Si](C)(C)O[C@@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)CC[C@H]12	263596210	FKAPETDRFJWMCD-RFZFCXBPSA-N	633.002	9.522	50	40	KKGB	
C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O[Si](O[C@@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)(O[C@@H]3CC[C@@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)c3ccccc3)CC[C@H]12	263606302	QSOSRZUCTBYVBZ-IEIAXRIGSA-N	967.461	13.584	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccc(Br)cc1	408527851	GPGRBFXOZNOXET-MOSHPQCFSA-N	513.229	7.253	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3)cc2OCC)ccc1OCc1ccccc1	408538786	BQXFVBARAPDXAE-GXBUFBABSA-N	559.062	7.059	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)c1ccc(C(=O)O)cc1	408541316	CEXFNMMJNCDNAO-ODLFYWEKSA-N	607.185	6.237	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408544465	UACFZOKPKRVZCB-ZDLGFXPLSA-N	525.330	5.377	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)c(C#N)c1C	408546039	DCBIZIGTCCVDIJ-KEBDBYFISA-N	514.559	5.131	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc([N+](=O)[O-])c1	408550609	IJJGYSFWSKPVIA-YBFXNURJSA-N	514.563	5.540	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552383	SMQXFHBLTNUICP-HYARGMPZSA-N	615.496	7.381	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(OCc2ccccc2)cc1	408570020	RNSBRFZUGKYAIM-BIZUNTBRSA-N	557.741	6.681	50	40	KKGB	
COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)ccc1OCc1ccccc1	408602584	CSTWHIDETAMFSJ-AREMUKBSSA-N	523.618	5.298	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3c(Cl)cccc3Cl)CC2=O)cc1	408606063	LHIMXPVRVMLPEZ-MRXNPFEDSA-N	518.828	6.030	50	40	KKGB	
O=C(NNc1ccc(OCc2c(F)cccc2Cl)c(Br)c1)[C@H]1CC(=O)N(c2ccccc2)C1	408607150	NBLNXRPSVKYHSO-HNNXBMFYSA-N	532.797	5.317	50	40	KKGB	
CC(C)[C@@H](C(=O)O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408659090	OTBBIRFGAAYDPR-PLZMJFJGSA-N	659.393	6.681	50	40	KKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCc1ccccc1Cl	408691838	SZJNKNXZXVSNRI-ZDLGFXPLSA-N	555.803	6.489	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	408725772	JXKHCMIWKBCWHZ-WKULSOCRSA-N	662.265	6.401	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1cccc(C)c1	408749569	HPUUZXUWDFJBKJ-BIZUNTBRSA-N	559.460	5.731	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408756381	UTXVMGMAESOJBK-IUXPMGMMSA-N	546.204	6.579	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408760460	YXUJHKYNGXPHPE-IUXPMGMMSA-N	682.106	6.639	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1c(Cl)cccc1Cl	408770750	BXAKDMLKEXRFFK-YBEGLDIGSA-N	532.221	6.889	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1	408784344	BCLRDFILVYAMNU-BWAHOGKJSA-N	576.922	6.666	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408795660	MDDVBGQAZLFGIZ-RGVLZGJSSA-N	618.311	7.456	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)c1C	408811472	KHUVOFOMQWDSTN-PXLXIMEGSA-N	501.413	7.888	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1	408828624	NGUYKURHTKVOOZ-WVKHYPTHSA-N	762.310	5.932	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1	408829600	LIOPRZWOUQXVOC-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408849472	YZULFNMTBQNXBL-OCSSWDANSA-N	542.935	5.484	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408853640	VTJJUEUMFIJPRB-MHDJOFBISA-N	615.355	7.905	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4cccc(C)c4)c3C)sc3c2CCCC3)cc1	408854995	LNKLJSGMADVQFH-BWAHOGKJSA-N	548.712	7.449	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)c(Br)cc1OCc1ccccc1Cl	408855614	HFKOFWWSTRINSP-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408856529	KFJDTIOVHWZJHM-KKMKTNMSSA-N	518.422	6.340	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1Cc1ccccc1F	408864961	BHOIOTSKJBVOOX-FYJGNVAPSA-N	554.403	6.528	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1Cc1ccccc1F	408867958	KVMYNDBOHSIMPC-VXLYETTFSA-N	574.821	6.927	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccc(F)cc1	408874154	ZJCPPIRTQFPRSN-SRZZPIQSSA-N	524.976	5.697	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408887454	QUYBIAHVNRGTGG-AMVVHIIESA-N	513.808	7.152	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1I	408890722	YEEYFVRMIQCNLI-XCVCLJGOSA-N	658.017	6.055	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408890853	HLVXQRDATFKADC-OQLLNIDSSA-N	632.221	6.683	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1	408897695	ZJYNRSFNYPMDOW-LPYMAVHISA-N	535.438	6.598	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1OCc1cccc2ccccc12	408897743	SUUXUVXGHZRDHN-SEBMTOOBSA-N	566.742	7.811	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2I)cc1	408898599	XHRFBLPQFZVOPP-BRJLIKDPSA-N	641.203	5.455	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OC(=O)c1ccccc1	408899870	RGVWMKZFGMINDS-MHWRWJLKSA-N	546.204	6.529	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2)cc1	408936736	FVYMABLDDCTHNZ-VYYCAZPPSA-N	506.356	5.285	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1	408942565	GFTATSQJQCOBBL-HHHXNRCGSA-N	696.440	6.764	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)c(OC)c1	408952311	JZNCBIBCAZGECA-CJPARAFHSA-N	774.463	5.918	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCc2cccc3ccccc23)c(OC)c1	408954075	MYLJATYYTDCUAF-GPNAAFTMSA-N	731.600	5.919	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408966078	JTNPXXSMGXCWSS-XODNFHPESA-N	541.333	5.110	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408968046	ZCEFYJLTGNKJFR-RPPGKUMJSA-N	573.197	6.209	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCCOCCOc3ccc(C)c(C)c3)c(Cl)c2)c1	408972517	UTXCXYQISTXZOY-HZHRSRAPSA-N	539.459	6.939	50	40	KKGB	
COc1ccc(COc2ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)cc2OC)cc1	408976329	ALYCJVKXHDNFSE-PGHBFPSBSA-N	587.698	5.151	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccccc1C#N	408981707	WEQWCFVEEZBMLA-PMOPRMPASA-N	611.496	5.920	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1	408982099	FRTPAMZBOOKNGO-MFOYZWKCSA-N	625.663	7.279	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc2ccccc2c1	408985400	WRTOJCQEOOGHBE-FMCGGJTJSA-N	561.863	7.697	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c2ccccc2)cc1	409003510	SKQPWSBWHVKLOA-FFWKWCQCSA-N	596.536	6.441	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c2ccccc2)cc1	409003589	SZNOTEXHKGNBQL-JBIOKXMTSA-N	566.035	5.167	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1ccc(Br)cc1	409010535	FLWVJDRJRCKJKF-VPUKRXIYSA-N	718.567	7.567	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409014071	DVGGSYWARXEHMK-KMUKQRDJSA-N	612.683	5.618	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cccc(C)c2C)cc1	409024037	HQHJVVOABDLTPM-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409072991	FRORKSKJGRKLDM-MHWRWJLKSA-N	676.838	6.675	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409078164	GUEKUIATVLLLBP-OQLLNIDSSA-N	543.319	6.546	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Br)cc1	409086467	DUEHFZQMRJEPFU-XODNFHPESA-N	637.268	5.453	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1	409117181	NQSHBSRNJLTSHM-ALQBTCKLSA-N	642.561	6.325	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1	409172653	FCSLDDPMKYRCGB-VVEOGCPPSA-N	638.302	5.270	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1	409185730	PEBLVZIKOAIWPN-BGABXYSRSA-N	505.684	5.667	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	409230508	YYSRDJNYNRBWCC-PPDIBHTLSA-N	510.190	6.167	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)ccc1OCc1ccccc1	409251494	QUFLJWUXBWOXKY-OJYCWLPVSA-N	581.669	6.071	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2C)cc1	409257180	RMHWPHKCMOACBY-WQRHYEAKSA-N	599.279	6.092	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)ccc1OCc1ccccc1	409265709	OBYFKYXTJDHWMD-QJOVZPHJSA-N	616.114	6.806	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409266213	PFQKRFCRILRQDX-RQRWGXNHSA-N	674.610	8.349	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409266984	ZOVJNYLSERTXSF-MBTHVWNTSA-N	524.415	5.246	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409309968	OPYQBPSMFQLKOD-VXKWHMMOSA-N	562.475	5.119	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409312509	LMJQJEXPGHWHSR-CPDSRJINSA-N	549.889	6.397	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OCC	409323444	PBEUTTKDUJQKAP-MWLSYYOVSA-N	633.439	5.738	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409327655	VSMMOUPEOMWDTP-WGARJPEWSA-N	528.905	5.510	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409363790	NPKMNTUHHVAGAI-YVLHZVERSA-N	630.370	5.300	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1cccc(C(=O)O)c1	409386756	RTSFIBXGBTVMBI-KKMKTNMSSA-N	584.404	5.622	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395703	QUNVXOWVKVZDCS-UHFFFAOYSA-N	504.502	5.726	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396333	LYRLTLOILOZQDA-UHFFFAOYSA-N	670.516	6.913	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409398336	CYESWIQCMVVNRD-BVMLUPFRSA-N	566.010	5.244	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3ccccc3)o2)cc1	409405009	RSTJJLPUHFSZLD-IPHFVPNQSA-N	562.670	6.675	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	1529547642	NHZRDFQESSDFHX-ZBVWQCQISA-N	706.446	6.220	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC(C)C	1531386452	ZZVRRQYSEQQIAD-OCSSWDANSA-N	501.583	5.826	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	1067151	YYAKWLWFCSRHHT-VWLOTQADSA-N	569.539	7.070	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Br)cc1	3089001	VLEITOBFVBCARD-AMVVHIIESA-N	564.358	5.534	50	40	KKGB	
Cc1ccc(S(=O)(=O)O[C@H](CI)[C@H]2O[C@@H](c3ccccc3)O[C@@H]3CO[C@H](c4ccccc4)O[C@H]23)cc1	5732582	BAECIMNJDZDGFY-DKYHJMRNSA-N	622.477	5.101	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136372	CIRAHYIPODMSEK-PNBSKESLSA-N	529.977	6.689	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3c(Cl)cc(Cl)cc3[C@@H]2[C@@H]1Cl	8435379	CSMRJTCQLDHWLF-YMNDLRCVSA-N	523.844	8.079	50	40	KKGB	
O=C(N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O)c1ccccc1Br	10060107	OAYQWJUFNGRFQN-BYGYOCHOSA-N	502.166	6.097	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccc([N+](=O)[O-])c1	13896508	AEXKCVIMZVRHNU-IWIPYMOSSA-N	509.638	5.524	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	18136373	SCVSBBGHAPDZJM-DJKKODMXSA-N	501.359	6.176	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	19951963	BTIWJGNEFNJRCW-ZTKZIYFRSA-N	512.075	5.682	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)cc2)cc1	20232474	NMUXDWOQSOYPIF-AJBULDERSA-N	527.646	5.304	50	40	KKGB	
CSc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	30750228	QEXRVLCDZPOZPU-YKQZZPSBSA-N	529.735	6.505	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)c1ccc(Cl)cc1)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1	35682050	WNBVNRZZSGUQBJ-QHCPKHFHSA-N	507.999	5.929	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCc1ccc(F)cc1	58980038	VNPKXIXHJKVEOE-OCSSWDANSA-N	501.514	5.413	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F	59646316	SNFDXPHOVBFYHC-AMVVHIIESA-N	529.462	5.070	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)OC[C@H](CCl)OC(=O)CCCCCCCCCCCCCCC	72399477	MQWXVGSHNINWHB-XIFFEERXSA-N	587.370	11.643	50	40	KKGB	in-vitro
Brc1ccc(-c2nn(-c3ccccc3)cc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	97984671	WURPOBATJXWRNX-UHFFFAOYSA-N	574.482	7.796	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)cc1Cl	98045724	SZXFHBOHYWVMBN-FXSPECFOSA-N	626.509	6.907	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)c2cc(Cl)cc(Cl)c2)cc1	100138971	DHZOCLBITQJPLJ-LGJNPRDNSA-N	555.281	5.410	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1sc2ccccc2c1Cl	100224475	KXLTZBAXVOOEJQ-CCVNUDIWSA-N	557.853	6.699	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100289613	CCXHHJLCKVBJAT-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1	100990812	WFHBWRWVSRHTFM-HWLQVLAGSA-N	526.239	5.745	50	40	KKGB	
CC(=O)N(NC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1)[C@H](c1ccccc1)c1ccc(Cl)cc1Cl	101463536	IKPHAOYQIBWVPN-GDLZYMKVSA-N	547.482	6.515	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc(OC)c1OC(C)=O	101509836	DMLNHAOIJJCPCC-DPNNOFEESA-N	601.729	5.725	50	40	KKGB	
COC(=O)c1nc(-c2ccccc2)oc1NNC(=O)c1nc(-c2ccccc2)oc1Sc1ccc(C)cc1	102436075	WTNULLSGXSDWNK-UHFFFAOYSA-N	526.574	6.000	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccccc1F	102719145	FTVBSFFKEBIILX-MHZLTWQESA-N	534.657	5.351	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	103884810	AJBQBEIHBXRDIB-QNGOZBTKSA-N	571.302	6.591	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C2[C@H]1c1ccccc1C(F)(F)F	104079280	WXNHMDPPCJJERR-QFIPXVFZSA-N	517.960	7.000	50	40	KKGB	
O=c1cccc2n1C[C@@H]1C[C@@H]2CN(c2oc(-c3ccc(Cl)cc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1	104150324	WEQTYSBUYLZKDQ-XRKRLSELSA-N	629.120	6.400	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)cc1	105475467	RHXUTIYPZSEKGM-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	112265124	RLZJTVMFKDSCIQ-KVSWJAHQSA-N	603.671	6.993	50	40	KKGB	
CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341189	VOUMQZKGHVBEGO-SCSAIBSYSA-N	852.101	10.776	50	40	KKGB	
N#C/C(C(=O)NCCNC(=O)[C@H](C#N)C[C@@H]1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1	150449359	VVUXDMIIZAYDGC-HIXRPGSSSA-N	809.801	6.899	50	40	KKGB	
Cc1cc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc(C)c1Br	150477756	RCDGOKSQBYLTEC-WUUBBFJUSA-N	653.209	5.394	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(I)cc1	164705805	PNRXPSPVLXSGKV-KQWNVCNZSA-N	672.361	6.287	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	216066083	WHYUHUKDWKJAMX-FJEPWZHXSA-N	535.855	7.177	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408570458	VIQIPLXWXVTTAZ-NVMNQCDNSA-N	536.357	6.205	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1cccc2ccccc12	408581916	ZXBQLIROYAZOHZ-OEAKJJBVSA-N	518.838	8.298	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1C	408607653	NNTIUYYFQRNEMH-UVHMKAGCSA-N	514.807	5.387	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408609075	JIEZZXPZTRBAJQ-VFLNYLIXSA-N	520.800	5.001	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408612059	UFIIPMKFDWBYDD-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2N)cc(Br)c1OCc1ccc(Cl)cc1Cl	408718799	KLPNVIOEBSWRDA-BCHBDCPOSA-N	523.214	5.690	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408743059	DIVDVWWKVDXVBX-ZDLGFXPLSA-N	560.673	7.298	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1	408745171	PRBWUXCXMMSZMM-HMAPJEAMSA-N	517.412	7.670	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408745888	WELYMJMDVUOSIE-ZDLGFXPLSA-N	601.251	6.643	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1Cl	408747481	OOUKHTPTUBQGOM-BOPFTXTBSA-N	512.791	5.842	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)ccc1I	408747707	RUEACKGLRHSEGM-KKMKTNMSSA-N	674.127	6.176	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408749169	FCABLMMOBDJERW-ZXSNDDASSA-N	612.467	6.410	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1C	408752209	CDVBWQYJOMFLNC-RCCKNPSSSA-N	509.522	5.744	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2Br)cc1	408760827	ADMKCIZUKMJMRW-KPGMTVGESA-N	683.378	5.906	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c1	408787820	GTFHHFMSFMLTJR-QGMBQPNBSA-N	656.145	8.102	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC	408789384	PLKNNNPHDISYGD-XNTDXEJSSA-N	551.178	5.010	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1	408797404	RSGDVDLPLTXGQV-LPYMAVHISA-N	517.810	7.380	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Br)c2)cc1	408797567	GRDXNISBJWNPIN-LPYMAVHISA-N	519.395	5.977	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408802601	ZGYFBOCQJGJDER-VUTHCHCSSA-N	603.118	8.904	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408816451	YWNIGWHLKXWBST-YBFXNURJSA-N	650.254	6.338	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc2ccccc2c1	408820092	VBCTZKGSETZQNU-XKZIYDEJSA-N	531.381	6.875	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408823848	GONRVIRNZVUUDW-BUVRLJJBSA-N	591.466	8.235	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1Br	408824175	PYUPNWOOQBRUPR-OVVQPSECSA-N	682.412	9.377	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccccn34)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408828659	NKXVEPGAHFNGSR-MNBJERMJSA-N	555.660	5.008	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Br	408841850	IAOOMAHNYOAUPH-RPUDKEGQSA-N	693.343	7.574	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc2c(c1)OCO2	408845960	OCEJIZAJMPQXCD-YNFMAFFXSA-N	612.274	6.758	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccco2)cc1	408847679	UDKRHXLXIVMJLF-IBBHUPRXSA-N	622.884	7.146	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(I)cc1	408852860	WMSJFRRUXVVDTN-DBSPGSINSA-N	781.432	8.404	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(F)cc1	408853011	KKKXYBUPSDVXBV-QJOVZPHJSA-N	612.499	7.706	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(C)c1OCc1ccc(Br)cc1	408859956	WBQVGRCENPRJNO-UDWIEESQSA-N	529.356	7.209	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408863635	TYCQKLXRERNKPU-KULFSUQXSA-N	719.485	7.690	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1	408881348	IXWGOQZMSILMQS-WOJGMQOQSA-N	541.199	6.256	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1	408882284	NHSSVBHCDIYURD-CPNJWEJPSA-N	505.914	5.720	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408898436	LGNBMNKMJIOYJA-RIYZIHGNSA-N	622.215	7.309	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408903974	BYEXNLBQLBPOMA-QDTIIGTASA-N	581.379	5.202	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccc(F)cc1	408926246	WMWVXLHAYVVIGB-VCHYOVAHSA-N	667.167	7.945	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(C)c2)c(OCC)c1	408940163	BXABTMIHJLPMHI-PMERELPUSA-N	742.636	5.462	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	408940929	DJVUQYNAIWCULB-MHZLTWQESA-N	645.540	5.597	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(C)c2)c(Br)c1	408942632	GJPSVCPGTSBVFT-NDEPHWFRSA-N	730.479	5.984	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1cccc(Cl)c1	408944663	JGRIHCWUCOOLKC-HHHXNRCGSA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3cccc4ccccc34)ccc3ccccc23)c(OC)c1	408947738	BGLVKCMEGZZKMQ-KLKNEZSASA-N	672.738	6.301	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c(OC)c1	408953506	LWMDSUGBTQLUQJ-ZBVWQCQISA-N	869.407	5.112	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)c(F)c1	408964988	FGRIRCVVUIPPGP-FJEPWZHXSA-N	549.343	5.798	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408971137	MWBWJLQVTHXXNH-KKPDSFQZSA-N	600.543	6.216	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408972832	VZNDHHYOQHWTTJ-RMTDQYESSA-N	635.386	6.703	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(C)cc2)cc(OC)c1OC	409005380	IEKJDSDPMVYQHA-VHHLGDKNSA-N	594.620	5.623	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	409014749	JAWSJJWIFLVSCX-NUJZUDFISA-N	524.802	5.759	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OCC)c1OC	409018372	WPDGEAMKTWEYTN-BRJLIKDPSA-N	583.220	5.700	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1	409029297	YQFMFRRJEZVAAB-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409034495	HROYHCQSEHWZAX-KULFSUQXSA-N	696.454	9.365	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409046353	KDUYRRMCQAPJDT-DEDYPNTBSA-N	533.968	5.088	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1nc2ccccc2o1	409080551	ILJWDMJEDXZERF-NTUHNPAUSA-N	586.152	7.026	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	409142948	GAFHLHVBGCRDLO-MUFRIFMGSA-N	507.815	6.528	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409143110	ZBTHZRDETXCCBI-XMMPIXPASA-N	633.356	6.312	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409164580	KMBAVLIZGJRNGU-MHDJOFBISA-N	585.488	5.300	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409172562	KUHJUUHIFBMWBN-VPUKRXIYSA-N	612.239	5.010	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2C)sc2c1CCCC2	409204728	IVRKCAZDHAPSFI-FYJGNVAPSA-N	531.634	5.163	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12	409218500	FMNFWCMSMCEEAB-IZKQPFROSA-N	702.552	6.209	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409229662	SOOJMCYSXPPQNR-FDVSRXAVSA-N	542.405	5.006	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	409261504	DJRVEHMXLUIMHT-FUSDPXDGSA-N	571.269	5.294	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1OCC	409302234	IFOWTUIXHOZQQV-LQNQUEJISA-N	566.452	5.502	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OC	409312416	LQAFTQIURYOPTG-UHBFCERESA-N	573.871	6.418	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OC	409312746	NIOPBQJCAPEGRB-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1OC	409327173	QOPKQBWWWGEWKE-PPDIBHTLSA-N	582.676	6.225	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409371574	XFDPIKDPYUXNFT-QMRORBIVSA-N	630.101	7.136	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccccc1F	409374056	XSYWLOPETCYGCR-FJEPWZHXSA-N	537.385	6.102	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409376965	CXIMGCOZYGJKCC-WOJGMQOQSA-N	618.406	6.438	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(Cl)cc1	409384522	DDPNJQPMKMCRAJ-PPDIBHTLSA-N	621.840	6.419	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409395288	LYNQWQKRNKTSRN-UHFFFAOYSA-N	615.915	7.300	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409396705	AHCMXNNDANZGEA-UHFFFAOYSA-N	641.305	7.879	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409397102	GERMNNZFZGZSLP-UHFFFAOYSA-N	596.392	8.144	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OC(C)=O	409402378	JYJKBPPASWQJAZ-ACXHZZMFSA-N	594.462	6.117	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	1102300	AHOJGPCONPPLMQ-SANMLTNESA-N	549.121	6.725	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3F)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1819192	XKMYKEBMIFONFM-OCSSWDANSA-N	517.630	5.622	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nnc2-c2ccccc2)cc1	2206385	LEQQYORZWZLMSS-OKCVXOCRSA-N	525.556	5.594	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1O	2349143	OFXNLWHIRIVTAP-OQLLNIDSSA-N	531.815	6.259	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1cn(-c2ccccc2)nc1-c1ccccc1	3230189	VXFMDLNXLPXAOI-XICOUIIWSA-N	548.606	6.902	50	40	KKGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2sc3ccccc3c2Cl)cc1OC	8970528	HVYPSJRNHDKMDZ-WKULSOCRSA-N	519.026	5.663	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	11852442	PLLIVQAXCYZIEI-JVWAILMASA-N	545.620	7.940	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Cl)[C@H](Cl)c2ccc([C@H](Cl)[C@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	68563490	LYNBJUDBJRYFET-ZDNVTZCJSA-N	604.186	7.839	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccc([N+](=O)[O-])cc1	97939459	VUPNMGJMTBHWIO-ZMFRSBBQSA-N	527.393	5.392	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2cccc(OC(C)C)c2)nc2ccccc12)c1cccc(NC(=O)c2ccoc2C)c1	97965668	NNZRZNHJBYMIGJ-QLQYKETESA-N	546.627	6.997	50	40	KKGB	
CCOC(=O)c1ccc(/N=C(O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)cc1	97968665	AYDOKPPTHJEHAW-MZOFLMDJSA-N	566.466	6.885	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc2c(c1)Nc1ccccc1S2	97980783	QQSXRKCSEURQKC-ACXHZZMFSA-N	583.522	7.156	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1	97980854	PFHJGLNYZZKLDV-QNKGDIEWSA-N	597.718	6.471	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1Cl	98048471	KBZBXWJTBLGIAE-XMMPIXPASA-N	536.484	7.100	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)S(=O)(=O)c1ccccc1	100287656	IAZCAKYUSAMPAA-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	100336672	SSDICIACVCKCHM-JAIQZWGSSA-N	526.330	6.160	50	40	KKGB	
COc1cc(OC)c(OC)cc1/C=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1	100852169	MKAYWTVDFLTCPH-CAQPMQTCSA-N	573.719	5.808	50	40	KKGB	
N#C/C(=C(/NC(=O)c1ccccc1)SCC(=O)Nc1cccc(Cl)c1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl	102416328	JARDOCYNTMQYJZ-DLHLTMALSA-N	614.554	7.887	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1Cl	102719101	QZJDDTPMXPZJEV-LJAQVGFWSA-N	587.145	6.980	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	102807346	UJDCSQNKRMDSNE-AREMUKBSSA-N	534.037	6.053	50	40	KKGB	
CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528214	UOAVDNYZEXTDOI-SNVBAGLBSA-N	586.214	8.670	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1ccc(Br)cc1	104953456	DMDYNWPITHHKKF-GZTJUZNOSA-N	532.221	6.889	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@@H](C)I)CC[C@]4(C)[C@H]3CC[C@@]21C	118913432	RPNZXKGKNPDEGJ-CLFQKWOMSA-N	582.651	9.153	50	40	KKGB	
CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341773	MLFMYRZKWBQAMT-QGZVFWFLSA-N	784.417	12.671	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1I	150477516	NAAUAPGBVZFYRI-LICLKQGHSA-N	638.097	6.941	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1cccc(F)c1	408542844	OFHPQOZZRXTKTF-LSCVHKIXSA-N	525.330	5.420	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(OCC)c2)c(C#N)c1C	408547029	QOCDYXVBOFVBNR-FSJBWODESA-N	539.613	5.673	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550299	CLNVQXKFYXBUMO-WOJGMQOQSA-N	546.248	7.236	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552073	NWYKXTULBRFJIC-BCHBDCPOSA-N	643.221	5.296	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552707	UULRNSKHIFJFFU-FRKPEAEDSA-N	666.222	8.455	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408553818	PSAZNWXINZAYOX-UDWIEESQSA-N	619.541	6.531	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1	408582656	ONZYWPFWPHQSEI-VCHYOVAHSA-N	517.192	7.002	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408640248	HRNKKCBYTXYJNH-UWLPGLTFSA-N	631.148	5.544	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408640815	IWTRYORIKUQQCV-LRSLUSHPSA-N	692.744	5.314	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408676193	AIYPNGMAMCVDLO-YZEAIEHJSA-N	646.119	5.237	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc(N2CCCC2)cc1	408677509	REFNCYWSPSPCBG-KCSSXMTESA-N	518.444	7.090	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1ccc(I)cc1	408712071	YHSFLPLPDYHOLV-FSJBWODESA-N	569.184	5.067	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c(Cl)c1	408743134	ZKZCFSAOPJFHFX-QXUDOOCXSA-N	521.064	7.586	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747384	NCXBEXPIGBZIFN-YVLHZVERSA-N	638.097	6.941	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OCc1cccc2ccccc12	408748802	HSFJKXVVOJJXBC-KCSSXMTESA-N	586.429	6.949	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccccc1F	408758139	GXDHTNZDJSDEOO-MFOYZWKCSA-N	560.217	6.484	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)c1C	408788316	JNXQSZRWFCXRHH-ZMOGYAJESA-N	501.413	7.888	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccc(Br)cc1	408789993	PMXNCNZAHBOEJK-HMAPJEAMSA-N	535.438	6.760	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(I)cc1	408791157	UYIJRRRLHDZUOM-XDHOZWIPSA-N	569.355	5.723	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1	408793417	FJMLUXFLPYUWMO-VXLYETTFSA-N	586.357	5.350	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc2c(c1)OCO2	408825160	RNWNPTTXXIKRTM-IUXPMGMMSA-N	525.330	5.450	50	40	KKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Br	408833499	SPVKOVYYWZPWCH-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408835049	VXBQYRPPHQGLNX-OEAKJJBVSA-N	604.446	7.614	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408839497	TVYOTTDFKJXNEF-FABQOPTDSA-N	602.499	7.372	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)cc3)cs2)cc1	408840497	CCOOHRUBIGCHPB-FJEPWZHXSA-N	558.019	7.448	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1	408842194	IWJQNOPDGLHSIJ-XZYGTATASA-N	628.106	7.197	50	40	KKGB	
COc1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C	408848799	ULQFXOPGCMSMDR-OHUYPAJKSA-N	570.715	6.133	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4ccccc4)c3C)sc3c2CCCC3)cc1	408850828	RTUUARMQFOSRJR-MOHJPFBDSA-N	534.685	7.141	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)OC	408855439	MZWVOSLJHJAWNJ-RGXNXFOYSA-N	507.590	5.497	50	40	KKGB	
CCOc1cc(C)c(/C=N/NC(=O)c2cc(Br)c(OC)c(Br)c2)cc1C(C)C	408855918	HFRQKYZOJUQORI-BHGWPJFGSA-N	512.242	5.815	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1ccc(Cl)cc1Cl	408867351	LQOALBMGPZEMEJ-AWQFTUOYSA-N	667.327	6.816	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Cc1ccccc1Cl	408873542	VSUCZLIGUAQLAZ-WOJGMQOQSA-N	513.794	6.777	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)c([N+](=O)[O-])c1	408890159	OUJONAGGJKGGPS-RQZCQDPDSA-N	528.348	6.043	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408892826	DDHGOWNBJXKNSU-VCHYOVAHSA-N	541.969	5.187	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(I)cc2)c(OCC)c1	408939061	AULLSINLBHZUSS-LJAQVGFWSA-N	854.505	5.759	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1Cl	408968714	BPPCRSMQBMVDHG-RXKJZGMASA-N	630.967	6.059	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(Br)c1OCc1ccccc1	408978254	HJUGZRJIZMOLJY-VURDCNJBSA-N	612.521	5.597	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409004691	BHNIFNSZKYOCJA-MTJSOVHGSA-N	641.360	7.099	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1cccc2ccccc12	409021065	XMIYPUFCTGPWIY-GPUZVHJZSA-N	540.575	6.442	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	409026048	DSNHIINUVFMFRC-LUOAPIJWSA-N	562.306	5.624	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	409042315	KELFAWPDQQWTEJ-NNLKUIAGSA-N	568.652	7.791	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)Cc2cccc(Cl)c2)cc1	409075270	YFWRZLNIXCSUPV-STBIYBPSSA-N	506.027	5.143	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(Br)c(C)c3)c(OCC)c2)cc1	409171265	ZCNQJAAEDDPLKQ-KPGMTVGESA-N	688.373	5.590	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c(C)c1	409185012	PIKYSGWPQYQKOX-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccc(Cl)cc1	409188324	GOYVDOIAMSQNGM-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	409253153	WCBPERNZNIQZAQ-NOPDUFPGSA-N	788.349	9.475	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)cc1OC	409315600	NUTHNDUSSLZEJC-CPDSRJINSA-N	651.739	6.220	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)ccc1OC	409318298	YCUDGJDCEKEZOM-FDVSRXAVSA-N	653.311	6.203	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1OCC	409321895	HQVMOLAPWJOUCH-MNDYBZJGSA-N	606.286	6.657	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1OC	409324638	VGYSDNNZXGOSJC-PPDIBHTLSA-N	566.221	5.711	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409336484	SWIZAYAYGWXPIN-BJUCDSOZSA-N	699.420	7.137	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409337091	WQEGTDFKXKAFNX-CPDSRJINSA-N	596.305	6.905	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371260	DRHQDVNVOJNDNQ-IUXPMGMMSA-N	734.069	7.052	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409396428	YHJKFACUZNYBCM-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409397338	IVPXOVIFXVDAGB-UHFFFAOYSA-N	629.410	6.151	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1	409398516	UENRUWQWFQJUJL-UHFFFAOYSA-N	541.966	6.619	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409401844	IJOHNLNYABQPBB-KWQVAVEISA-N	699.602	7.517	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1O[C@H](C)C(=O)O	409402624	KHWHIMCDNFWBFE-NFUYZNGSSA-N	658.933	6.697	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1	1529547212	JPUKZQBEHQEWHS-MMVATDKPSA-N	671.559	5.186	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccccc1	1529547488	LDSHBCVQUUYZAC-PUUODXJESA-N	810.452	5.360	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1	1529547894	RBZFVILISKAIRU-NSJAHCMFSA-N	673.191	5.966	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1C	1529548831	HXAJTSSIXAUDSS-KOAMWGCASA-N	724.909	6.172	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(C)cc3)cc2)sc2c1CC[C@@H](C)C2	1785637	OIRZFEVIMQKAAJ-RHPQXXKRSA-N	547.677	5.528	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)n2-c2ccc(OC)cc2)cc1	1853957	CCWBUDIOSYMQTF-UZWMFBFFSA-N	565.655	5.986	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1	1887934	LBZSALQBEBERJV-IVYNLYIOSA-N	512.418	5.638	50	40	KKGB	
COP(=S)(OC)Oc1nc(SCC(=O)c2ccc(F)c(F)c2)nc(C)c1Oc1cccc(C(F)(F)F)c1	2154493	VFKGPQQQLIYLIS-UHFFFAOYSA-N	580.493	6.745	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc2c1CCCC2	2204160	WHODKROGLIRMEZ-SSZFMOIBSA-N	503.605	6.010	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1	2276468	FQNXSVRVMCHUEW-OGLMXYFKSA-N	550.482	5.728	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(SC(F)F)cc2)N(c2ccccc2)[C@H](c2ccc(Cl)cc2)NC1=O	2670609	POVNVKCUPSYQGG-HSZRJFAPSA-N	557.047	6.397	50	40	KKGB	
C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c1	3333392	KHBFFALFCYRVIB-UHFFFAOYSA-N	596.631	5.569	50	40	KKGB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	6016808	HQEDPETVQAORQI-HIWRWHBISA-N	569.012	6.785	50	40	KKGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1	12251097	XJTPOEQSAYEGTI-VWLOTQADSA-N	518.038	6.147	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1	12273778	PYYZVHGPAVZYQJ-XANMOXBJSA-N	525.630	5.545	50	40	KKGB	
COc1cc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)ccc1O	13895931	TYVGHKOFBIHUAT-NDZAJKAJSA-N	529.666	5.579	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1Cl	33770448	GLWWHVZDGDMRMO-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCCOc1ccccc1C	97957960	ZMKFANKBYIUQKF-HYARGMPZSA-N	538.438	6.695	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	97964201	VIHWLWTWOZVUHE-OQTVDIKGSA-N	656.489	5.717	50	40	KKGB	
O=C(N/N=C\c1c(Br)cc(Br)c(O)c1Br)[C@H]1COc2cc3ccccc3cc2O1	97965310	YUOHEYBHGWEJSF-MAKVOSPASA-N	585.046	5.123	50	40	KKGB	
O=C(N/N=C(/c1ccc(Br)cc1)C1CC1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12	97965739	GTZUYTBOAFWBBP-QCKNELIISA-N	539.260	7.515	50	40	KKGB	
CC(C)(C)CC(C)(C)NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc(C(F)(F)F)c1	97965811	AIXFBSVAUFTFJT-XDHOZWIPSA-N	537.420	7.285	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(c3nnc(SCc4ccccc4Cl)s3)C3=C2C(=O)CC(C)(C)C3)cc1	98006066	GFJZLBXKQGEDQO-DEOSSOPVSA-N	578.163	6.823	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	100351343	KKFWUJGVVUURFZ-HWIUFGAZSA-N	572.731	5.103	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1	101179678	HPUTXASRVWFEJP-DEOSSOPVSA-N	559.566	5.217	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccc(Cl)cc1	101555320	PGWPAJVEDSHMQD-AREMUKBSSA-N	578.521	7.070	50	40	KKGB	
N#CC1=C(S)N[C@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@@H]1c1cccc(I)c1	101633643	JGBVALJFVXWYQO-SLQPCKNISA-O	562.456	5.170	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103888494	MMJZZWBHNUSNDR-MTJSOVHGSA-N	556.287	7.918	50	40	KKGB	
O=C(CCC(=O)Nc1ccccc1C(F)(F)F)N/N=C1C(=N/NC(=O)CCC(=O)Nc2ccccc2C(F)(F)F)/c2ccccc2O[C@H]/1c1ccc2c(c1)OCO2	150435070	BAZWYQPBNWINRE-DATCVHCWSA-N	796.681	6.717	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2-c2ccccc2)cc1	150662917	FUNGEFZFTIKJHA-CGCCTQMCSA-N	702.858	11.099	50	40	KKGB	
BrP(Nc1cccc(NP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c1)(c1ccccc1)(c1ccccc1)c1ccccc1	195765557	ZMMPCPKDLOPTJU-UHFFFAOYSA-N	790.520	10.020	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1cccc(F)c1	408550852	KIFIYNDFZZVNOM-OYKKKHCWSA-N	502.383	7.783	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408567586	FTJXJCWFQUQISB-NVNXTCNLSA-N	539.336	5.694	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccc(F)cc1	408606034	LBGTUNFEBQZRGK-SFHVURJKSA-N	542.405	5.062	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1	408607905	FPANYSJCZGTMRN-FJEPWZHXSA-N	542.861	5.571	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	408657477	UHWPNDDMSANAKR-BFNJWEDLSA-N	678.399	7.777	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408676741	NADHFODGGPXQAR-WKULSOCRSA-N	638.731	6.650	50	40	KKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1Cl	408691720	NHEWSFWGKOPBAI-IUXPMGMMSA-N	543.248	7.300	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)c2-c2ccccc2)cc1	408744600	YTIFIDGQXOULFQ-XAYXJRQQSA-N	539.635	7.764	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)ccc1I	408746463	DOCXKAZWKQLDFB-CCVNUDIWSA-N	557.819	6.029	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cccc2ccccc12	408756824	XRZLOFILKGDNFT-MTJSOVHGSA-N	643.308	8.275	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1C	408792504	KINPGCOFXMQODM-VXLYETTFSA-N	605.245	6.934	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795057	UOOAQZAJJBFGOL-VIZOYTHASA-N	615.536	8.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(C)cc1	408796346	XYLNGHSUAMQMAQ-SRZZPIQSSA-N	586.857	7.085	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408797489	RTBQZLXVADSZQM-GIDUJCDVSA-N	720.088	7.235	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2I)cc1	408799138	YELBMUQANLPYJT-XDHOZWIPSA-N	528.777	6.378	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1OCC	408813988	GKHUHEDXZGNVMC-IADOGKPESA-N	546.067	5.174	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408818368	XSSFTXMMRUYNBP-BUVRLJJBSA-N	511.021	7.633	50	40	KKGB	
Cc1c(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	408824874	BJPBVMPBNARFAA-RQXXSLPSSA-N	659.768	5.562	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2cc(Cl)ccc2C)cc1	408824982	BYEFXVXRHVAKTM-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	408827411	HDGICSYUGOLQOE-JWGURIENSA-N	562.047	5.878	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1	408827964	IDDDDMBAGQQSFR-XHLNEMQHSA-N	556.526	5.813	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)ccc1OCc1ccccc1	408829208	LBCMVTREPWDVDO-QCFMCPCVSA-N	548.687	5.356	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1	408830175	RLSCMQDBHWOAGR-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408835381	WTNJPVVTMOYQKL-OKCVXOCRSA-N	572.470	5.507	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc(OC)c1OC	408839404	RQDNOPSEPXOFGD-KULFSUQXSA-N	678.550	7.469	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1	408842158	MYTRMTBDTAUGNS-BIZUNTBRSA-N	638.540	5.745	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1F	408846180	QYNHGVKSZREVRH-QNVXDBMFSA-N	621.521	8.351	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccccc1Cl	408846189	XUHPGTQGKWBCKX-IIHBXENTSA-N	653.908	7.602	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408850229	IVQIDAPBYNQYQW-KPGMTVGESA-N	520.460	7.361	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)c1C	408851170	VXAUYHZRMUCRRL-PDGQHHTCSA-N	527.260	6.782	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408852223	DRVQDNQWCDANKV-KOKCXWAISA-N	618.948	8.764	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)c(Br)c1	408852993	KHMHFNZVIZSNSB-BHGWPJFGSA-N	502.162	6.290	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1Cl	408853648	VXLUJIUJRQBVCW-WKIKZPBSSA-N	513.775	6.200	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	408860495	WXAFUJHIFKZMTC-QNKGDIEWSA-N	571.699	5.627	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(C(C)C)cc2)cc1	408862390	HDOPDSJOAJVGNM-QXUDOOCXSA-N	570.759	6.488	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1Cc1cc(C)cc(C)c1	408872786	IUPDIMHPUPLJAZ-LPYMAVHISA-N	519.439	6.610	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1Cc1cc(C)cc(C)c1	408875312	JHYRMATVGLCSQH-UFFVCSGVSA-N	523.858	7.173	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OC(=O)c1ccc(OC)cc1	408897086	VJWYXJBPXNKVHU-OCSSWDANSA-N	594.405	5.835	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OC	408897196	QOTJXFPSTMWERV-MDWZMJQESA-N	529.161	5.717	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccc2ccccc12	408898579	XDKGIUNKLKDDEI-CPNJWEJPSA-N	517.368	6.920	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)c2C)c([N+](=O)[O-])c1	408905169	UOJWHJQWZOWKKW-MSXFZWOLSA-N	500.353	5.237	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408948963	HOTSGPLIKHIFBY-OYKKKHCWSA-N	560.481	7.057	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408954755	SKZOOZOTHAGMSQ-JJFYIABZSA-N	559.851	6.300	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)OC	408969963	XVQONGGCKXLFOW-PLVGMKOESA-N	695.394	5.352	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408976402	ASWNVCUTLAEKTN-FNLZXBKISA-N	516.941	5.520	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408997965	PIMVUDQDQVXEML-NVNXTCNLSA-N	690.013	8.414	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(F)cc1	409037836	NXPQMCDFPONFHQ-IPHFVPNQSA-N	515.588	7.112	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	409049933	YUGFRSVKFKYOQF-GIDUJCDVSA-N	649.088	8.662	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)Cc2ccc(Cl)cc2Cl)cc1	409061525	FAQDIKAUOXHXLR-DPNNOFEESA-N	596.536	6.222	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409093149	YHFUXHMXQMCCPB-MHWRWJLKSA-N	545.857	6.392	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C2=C1CCCC2=O	409128104	INDCGNLVZHXXJS-JOCHJYFZSA-N	533.253	6.065	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccccc2)cc1	409184734	MHIAMTHWLUYTJD-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(I)cc1	409191307	UZQNDLBSOQSNBK-UYRXBGFRSA-N	516.379	5.235	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Br)cc1	409202601	RZGIAJVXOKRKQG-ODLFYWEKSA-N	558.226	7.162	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1C#N	409209324	JBIWDGRBZJQURT-IPPBACCNSA-N	558.885	6.194	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409220899	HMSOQFWXVKQJQP-MAGMUUGSSA-N	503.986	5.541	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)c1	409224362	JHINZGGZMZCRJB-VKXZICQFSA-N	548.555	5.538	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409238721	LSCDDCIISXZVLP-UQEONJGVSA-N	535.471	7.484	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1C	409262213	FUOBWHZDNAMDBT-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1ccccc1Cl	409266234	PZELILGTUAHGRF-SDYRLMNSSA-N	520.029	5.383	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409268719	YCWWRLBBBGCYGT-CIAFOILYSA-N	550.409	6.455	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)ccc1OCc1ccccc1	409268885	ZCEIYMWIBUDMQT-AEUUOICLSA-N	606.506	7.061	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OCC	409327832	WWOVJZXVDCMISI-GXBUFBABSA-N	652.529	7.374	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)ccc1OCc1ccccc1	409328113	ZJQBERRNCKRUIV-MNBJERMJSA-N	500.982	6.271	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC	409334681	MHSHWTOBFYXLFI-FDVSRXAVSA-N	543.389	5.513	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12	409369307	KJEOXILSXUGTAN-MZJWZYIUSA-N	527.793	5.640	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccccc1F	409372386	XBDISEBFUZVBBM-CHHVJCJISA-N	556.056	8.301	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)[nH]c2c1	409390144	BTLRLOFQCTZNMP-HAHDFKILSA-N	509.009	7.276	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)c1	409394423	AGJYQAVKOJLHOH-UHFFFAOYSA-N	630.926	7.859	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409394733	FFSHDGIHPDLLGS-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409394829	GLHRZMVODUGIHZ-UHFFFAOYSA-N	748.628	8.898	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)cc1	409395257	LPVYQIUAIPBJIC-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409397458	KCLQJXHFZKAWTA-UHFFFAOYSA-N	563.566	5.564	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Br)cc1	409399906	AFTRVMHHFOWUKS-UHFFFAOYSA-N	628.523	7.380	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Cl)c1	409402916	LGTGTLYPSLEAJT-KMUKQRDJSA-N	568.073	7.571	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OC(C)(C)C)ccc4ccccc34)o2)cc1	409403950	OSLPBYJQRKTAOG-GXBUFBABSA-N	535.644	7.361	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)c(OC)c3)nc3ccccc3c2=O)cc1	1869933	RJSHGXIGNJXVOL-HNSNBQBZSA-N	580.666	5.224	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	2638356	NFKHZLNUFXKENE-CCVNUDIWSA-N	548.835	6.472	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)c(OS(=O)(=O)c3ccc(C)cc3)c2)cc1	3089045	BEPYARXKVWGRRC-UXHLAJHPSA-N	599.086	5.256	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	3206206	CWQMTNGJVRAWEO-MTJSOVHGSA-N	520.441	7.165	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1	8722712	VCZSAZMDBMZBME-CKTUNODQSA-N	518.353	5.407	50	40	KKGB	
CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1	8769367	YETCTZWCEFDZQW-XHFMHKHNSA-N	509.675	6.711	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1OC	9019010	PZVYEKRPSKUPJU-OGLMXYFKSA-N	522.030	5.237	50	40	KKGB	
Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl	13806900	HJVILVAPYHMELX-CPNJWEJPSA-N	512.374	5.440	50	40	KKGB	
COc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C(\C)c3ccc(C)cc3)n2-c2ccccc2)cc1	13882068	UTHMXDZPSZZEKO-CQGIGXBHSA-N	514.655	5.217	50	40	KKGB	
COc1ccccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccc(C)cc1	20060658	VBZMNMOANXQGSJ-UHFFFAOYSA-N	513.704	5.976	50	40	KKGB	
CC(C)CCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccc(Cl)cc3)c3ccccc32)cc1	46085032	FQHRJKJAIIBMGR-QVTSOHHYSA-N	506.002	5.211	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccc(Cl)cc1	58985826	HPWRILSJBIFQDS-HXUWFJFHSA-N	515.795	5.330	50	40	KKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCCCCCCCCCC	72400277	JAFPMKBIHWSDIR-QEJMHMKOSA-N	613.408	12.199	50	40	KKGB	in-vitro
C/C(=C(\CCOC(=O)c1ccccc1)SS/C(CCOC(=O)c1ccccc1)=C(/C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N	85537006	IWXAZSAGYJHXPX-LYWFMZLMSA-N	770.938	6.003	50	40	KKGB	in-man
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	97950383	OJAHSJNUPFONPF-SANMLTNESA-N	530.675	5.853	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(C(=O)O)cc1	97960693	OEXZDWUMTJNLKX-FYJGNVAPSA-N	537.399	6.553	50	40	KKGB	
COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3cc4cc(Br)ccc4oc3=O)cs1)oc1ccccc12	97966531	UWAHREVHMGOSJK-DTQAZKPQSA-N	570.424	7.564	50	40	KKGB	
CCc1ccc(/N=C(O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1	97968698	LZMDJRDFNHDSEP-DXTZOESMSA-N	522.457	7.270	50	40	KKGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(O[C@H]3OCCO[C@@H]3Oc3ccc(/C(C)=N/NC(=O)c4ccc(OC)cc4)cc3)cc2)cc1	97983218	BMCQBEXQNOHVID-WHWCEDJFSA-N	652.704	5.169	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	100124917	AOEXYVXYHSNFOM-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(OCC)cc2)=C(C#N)[C@H]1c1ccccc1Cl	101042392	TVKCIPAERMIZEN-HHHXNRCGSA-N	574.102	6.507	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(Br)cc1	101432471	WUBAPSHUEVBMAZ-USHMODERSA-N	534.483	5.946	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2sc3c(c2C#N)CCCC3)N1	102810251	UHTRFLNYCJXLEW-NDEPHWFRSA-N	600.169	6.859	50	40	KKGB	
Cc1cccc(-n2c(SCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)nnc2-c2ccccc2Cl)c1	102844848	ZWLNJULOOLUELO-UHFFFAOYSA-N	527.053	5.879	50	40	KKGB	
COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(OC)cc2)cc1	102916427	BPDKIEKWCSVVBW-OUCGKXPOSA-N	548.599	6.342	50	40	KKGB	
N#C/C(=C\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1nnc(N2CCOCC2)n1-c1ccccc1	102972352	QPDQFNYMKABTBD-SOYKGTTHSA-N	548.650	6.779	50	40	KKGB	
CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528067	RZGNDJSEFUZPGQ-MRVPVSSYSA-N	508.153	7.254	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	103884276	FCXKARFXMZNSDZ-KQWNVCNZSA-N	591.462	5.591	50	40	KKGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)c(C)c1	104056158	KYPLNJHNTFTLOA-HKBQPEDESA-N	563.723	7.832	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl	104954071	LPFGHGFEGLANMX-RQZCQDPDSA-N	536.242	7.824	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccccc1	112258512	CQNPYDBVLUQEDU-YBFXNURJSA-N	548.462	6.394	50	40	KKGB	
CC[C@@H](Cl)COP(=O)(OC[C@H](Cl)CC)O[C@@H](c1ccc(Cl)c(Cl)c1)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	150385752	LTNOIMLGRMWAQH-MTSAVCEVSA-N	699.200	10.446	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1)S(=O)(=O)c1ccccc1	162474407	YSQIFJSUAJOPJN-KVAAJVFYSA-N	707.430	6.698	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164735332	GRDIYFYKBCSSJD-NVNXTCNLSA-N	646.081	7.624	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408549938	AABSDSGVMGJWOL-QEQQSIKZSA-N	774.322	9.167	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550024	ARMZKQAWDGQTDF-QDTIIGTASA-N	520.800	5.827	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2Cl)cc1	408569792	PYSICFMTBXNUJW-WKULSOCRSA-N	556.109	5.674	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1ccc(Cl)cc1Cl	408579572	IADLOLDRZFZUJL-VIZOYTHASA-N	528.060	8.706	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3Cl)CC2=O)cc1	408606535	MGSCDNHZJFNGBF-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1	408642593	FBLNDHYQFVIDEO-RDPSFJRHSA-N	541.387	5.692	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1cccc2ccccc12	408675966	CURNUEXDHIQDGY-FMFFXOCNSA-N	619.503	6.786	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408676958	OAAUSSHBQQDLPA-KBVAKVRCSA-N	583.458	5.369	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	408737899	JNGXRJYWRXRWAO-BIZUNTBRSA-N	540.417	5.286	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc(I)c1OCc1ccccc1	408738582	SMQPWLQXWIDKRC-AIEXUKEJSA-N	702.549	6.348	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1I	408745047	JIMTUUASQGSVAP-DHDCSXOGSA-N	553.194	5.563	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408754299	PYQTUNJXMAKQLK-LQKURTRISA-N	598.431	5.441	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408754474	KLVJMLTUSPXTNP-APSNUPSMSA-N	658.117	7.494	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)ccc1OCc1ccccc1	408758900	UIMKRVAOCARPAX-ZHZULCJRSA-N	524.358	5.815	50	40	KKGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OC	408768384	WVJHHQBLINGAOQ-AQTBWJFISA-N	533.410	5.480	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408771060	FFEKGAIEEYLBBW-ZDLGFXPLSA-N	575.290	6.955	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc2c(c1)OCO2	408774361	ZPYJPDMBJBOALS-UCQKPKSFSA-N	637.474	5.253	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2cccc(C(F)(F)F)c2)cc1	408787064	QIXAYFRMPOMWKR-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1cccc(C)c1	408796546	PFWZRIDMDCNXAX-YDZHTSKRSA-N	566.439	6.740	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c1	408796586	PJVDEIDLIGMWCY-VXLYETTFSA-N	577.249	7.340	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1F	408803433	OULWBVODUTXXPV-KGENOOAVSA-N	501.355	6.866	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OC(C)C	408824568	RBDPKRVZPPYDJG-OEAKJJBVSA-N	596.465	6.910	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408826003	KHYSUIFUWUXYKL-WSDLNYQXSA-N	638.891	8.267	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408827170	KKIVMGAFFGAEHE-PTGBLXJZSA-N	541.445	7.516	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408831097	PNLBXCYUUAORCA-CVKSISIWSA-N	657.981	9.821	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OCc2ccc(Cl)c(Cl)c2)c1	408831457	PMEODOZOOOEKOT-LPYMAVHISA-N	628.339	9.012	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4ccc5ccccc5c4)cc3)cc2)S(C)(=O)=O)cc1C	408832384	YIFBWEHZNUMGHT-HPNXWYHWSA-N	591.733	6.766	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408832582	RKPXBJDYYLUPPG-DPNNOFEESA-N	589.555	7.542	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1cccc(C)c1	408833625	UDLRXQQODFKBRQ-OVVQPSECSA-N	553.058	7.751	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408834115	TUUGLYSBIZWXMI-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408840897	CZFPUGACNOQHCR-UXHLAJHPSA-N	542.389	5.685	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5ccc6ccccc6c5)c(I)c4)cc3)cs2)cc1	408841613	FPWLIWCZXHKKPR-OEPDXVHDSA-N	820.494	9.567	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)c1	408842388	JSBKSURGMZDZDM-VTNSRFBWSA-N	540.092	7.687	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccccc1	408844837	ITELHRQAQRPHJB-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1	408845956	NYYMIDZADHYYRT-FZSDHLTPSA-N	657.612	8.966	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1	408848690	RYAXVZBAFNBKAH-ZXSNDDASSA-N	529.596	6.494	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408849159	VIAQZNFMVGXDLM-KWQVAVEISA-N	632.975	9.155	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1	408854735	BYUVGBAUTWWDCW-ZRGSRPPYSA-N	573.197	6.209	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccccc1OCc1cccc(Cl)c1	408859960	WEEGDBNGLUEIJB-XKJRVUDJSA-N	577.877	6.430	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408863948	RFNQAPRGAYGNSV-KVSWJAHQSA-N	568.320	6.894	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Br)cc1	408870836	UULJBTTZTZYCFB-XSFVSMFZSA-N	540.255	6.747	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	408872627	HSDFQIXVFRWHMI-OCSSWDANSA-N	583.483	5.341	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408876187	JUCLLFYOSUYLER-SCZBBWJWSA-N	578.246	6.236	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408882060	NKKBKQNGAUNTMH-LDADJPATSA-N	557.422	5.175	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(I)c1	408897217	QUMODMBBDWQHQS-LZYBPNLTSA-N	766.542	7.278	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl	408900143	SXYYCFQJSFZJTN-YBFXNURJSA-N	526.376	6.733	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408947001	NHZRDFQESSDFHX-MUUNZHRXSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1	408954424	ZFGZDDUFECXUGV-LJAQVGFWSA-N	682.155	5.111	50	40	KKGB	
CC[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	408955537	YIKHRFXLALHGJQ-RQSOKRQSSA-N	524.209	5.908	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	408970026	YVQOTNKRKJAASS-AYTYJHOYSA-N	606.550	7.174	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2Br)cc1	408970220	CVZAEKIQKZEVKV-OTOOMKDXSA-N	683.430	7.288	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Br)cc1	409004491	XHYQIBLRIWORCH-DPNNOFEESA-N	620.887	6.737	50	40	KKGB	
CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	409010237	BPCDOUXYOUKILI-ATKLRSNGSA-N	531.056	5.403	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	409013541	KQEHIJVHWZZZDE-RHESGQEVSA-N	600.543	6.338	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409021074	XOPUVYJPJAPEGA-FDALDRLYSA-N	595.740	6.652	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCC(=O)OC	409046548	RMRVNYMATDCZPD-UHBFCERESA-N	562.420	5.379	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)c(Cl)c1	409051270	BHLHIBMVTCHEOD-LUOAPIJWSA-N	648.641	6.340	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OS(=O)(=O)c1ccccc1	409065668	KDOBAAFBBQUSSD-RCCKNPSSSA-N	533.562	5.035	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)NC1CCCC1	409192894	GRVHOOWHUGWZLN-SXGWCWSVSA-N	677.118	6.203	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccccc1	409233300	FIFFKLZQNRURJZ-VBNMEBLOSA-N	577.249	6.961	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c(C)c1	409252661	UKUATBFUVKHQDW-LPYMAVHISA-N	518.411	5.307	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(C)c(C)c5)cc4)cc3)cs2)cc1	409256439	LEPVJSIMGQPFAS-KMUKQRDJSA-N	589.721	7.260	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409263289	MADFPAAPXHSGPB-CAFFOWHZSA-N	560.865	6.128	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	409265758	OQMMGLLULRSYFP-VCHYOVAHSA-N	599.279	6.097	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OCC	409319144	AXDBCTMWCGVUQT-LJUMEUDFSA-N	645.494	5.577	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccccc1	409363941	MPKRKWSPMDDOIS-NTFVMDSBSA-N	527.415	5.137	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl)Nc1ccccc1F	409380740	AABWFQGQKYIMHY-DLCNMLRHSA-N	600.075	7.128	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2F)c1C	409381933	PHHHCCMQBBKMIH-UNOMPAQXSA-N	522.374	5.768	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409392940	UHFVJCWZURMWHY-NVMNQCDNSA-N	504.930	6.175	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccccc1	409395951	UKGVZQMTDICJQA-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)cc1	409396012	VFPYEYMBMXYRNT-UHFFFAOYSA-N	677.349	7.360	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397707	NBUSQHVGYOBERO-UHFFFAOYSA-N	559.538	5.606	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397946	PRQYVLSROJCNQH-UHFFFAOYSA-N	695.795	8.395	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(C(=O)O)cc4)cc3)o2)cc1	409401161	GQAHJUPJADMZSO-FZKWRIDDSA-N	563.610	6.307	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1Oc1ccc([N+](=O)[O-])cn1	409402751	KVWXAXZOGKMFAV-DLCNMLRHSA-N	611.611	6.143	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccccc3F)o2)cc1	409405307	SSTAZBYFUZUPQO-FZKWRIDDSA-N	537.591	6.748	50	40	KKGB	
c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(Cc3ccc4ccccc4c3)ccc3ccccc23)cc1	675082930	HSQZUSOMZGVWKH-UHFFFAOYSA-N	578.695	10.162	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1	2056974	CDCRFARFBCBXDS-HJTOXIBHSA-N	596.062	5.383	50	40	KKGB	
Cc1c(C)c(C)c(CS/C(=N\[C@H]2C[C@@H]3C=C[C@H]2C3)P(=O)(c2ccccc2)c2ccccc2)c(C)c1C	3161773	WIUABJLTNQUZQC-DJFQHLPASA-N	513.687	7.797	50	40	KKGB	
O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1OCc1ccccc1Cl	3341956	WRLAAKFGYYMINE-QCFMCPCVSA-N	532.043	8.153	50	40	KKGB	
CC(C)(C)OC(=O)[C@@H](CSSC[C@@H](NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1	5124405	NRNKFFAUAOKNQZ-DNQXCXABSA-N	620.790	5.641	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136359	QWYTWCUOTIWUPQ-WTZFPKOTSA-N	590.883	7.313	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(C(C)C)cc3)cc2)sc2c1CC[C@@H](C)C2	6167122	AOEKCSGVYBISNM-XMUNXZGVSA-N	575.731	6.343	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)S(C)(=O)=O)cc1C	20059233	WWJKCCYNBXYESA-MZJWZYIUSA-N	504.439	5.340	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)cc1	20197862	AFOKQOHRYJZOBQ-WGOQTCKBSA-N	514.363	5.423	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	20207256	NPIXOSMMYJJPAE-UHFFFAOYSA-N	515.985	5.689	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(O)cc1	59427667	TVJZPWOQCUMEGC-AJBULDERSA-N	502.530	6.189	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccccc1	97960778	YSFJYYOHVFPHAJ-YVLHZVERSA-N	624.191	6.160	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)OCc2ccccc2)c1C	97965052	HDRRCKCVFGSGIU-ZHZULCJRSA-N	547.633	6.829	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3cc(=O)n4c(n3)sc3ccccc34)c2C)cc1	97979228	RUDCOJLKVORINM-KGENOOAVSA-N	524.602	5.366	50	40	KKGB	
COc1ccc(C)cc1-n1nnnc1SCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	97981051	CJOBDEJQROYOHR-WKULSOCRSA-N	526.544	5.158	50	40	KKGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)c(OC(=O)c3ccc(Br)cc3)c2)c(Br)c1	98001665	NYHFHFZAGBJHBD-AABVJFSESA-N	761.217	6.950	50	40	KKGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21	98008195	UZORWRPDQNOJLL-SSEXGKCCSA-N	539.422	5.932	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	100063547	LETILNIMPUCNFR-NJZRLIGZSA-N	577.062	6.106	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/CC)c3ccc(O)cc3)nnc2-c2ccc(Cl)cc2)cc1	100900354	XPGFBULAFGKEIZ-OLFWJLLRSA-N	536.057	5.715	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(=O)c1ccccc1	102933081	WVBCNAQSOFUHKG-CXUHLZMHSA-N	556.756	5.784	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1OCc1ccc(Br)cc1	102935020	IYBLFTARMUNACX-UYRXBGFRSA-N	522.355	5.799	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3N[C@H]2c2ccc(F)cc2)[C@@H]1Cl	102975237	CSMRJTCQLDHWLF-KXWVNSKHSA-N	523.844	8.079	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc2c(c1)Nc1ccccc1S2	102978000	ZGZCNSGBYFRJQS-JVWAILMASA-N	520.661	5.911	50	40	KKGB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(COc4ccccc4-c4ccccc4)cc3)cc2)C1	103041831	AMVXTENZQVKNON-DQEYMECFSA-N	597.737	5.674	50	40	KKGB	
CCn1c(-c2ccc(Cl)cc2)cs/c1=N\NC(=O)CCCCC(=O)N/N=c1\scc(-c2ccc(Cl)cc2)n1CC	103794303	CPZAZSHVGHSYAD-YSBSNMNTSA-N	617.628	6.218	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	103889544	DBSMVXBZISOLFG-WDZFZDKYSA-N	566.020	6.305	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1OCC	103898431	QNKAWOVAXQPOGR-RDRPBHBLSA-N	544.073	5.182	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)cc1Cl	105081789	LRGKIUUCJWUAON-RQZCQDPDSA-N	546.794	7.078	50	40	KKGB	
COc1ccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3C)CCCN2Cc2ccc(N(CCCl)CCCl)cc2C)cc1	150371916	NSOXEIVMSAYBCS-UHFFFAOYSA-N	680.592	8.287	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	150437192	FKHOBCJUXKVLRR-ODLFYWEKSA-N	637.301	7.520	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CC[C@@H](I)CC(F)(F)C(F)(F)F	169795268	IAHCIAMYHXGSCW-PHDIDXHHSA-N	573.978	6.549	50	40	KKGB	
O=C(Nc1ccccc1)C12C[C@@H]3C[C@@H](C1)CC(P(=O)(Cl)C14C[C@H]5C[C@H](CC(C(=O)Nc6ccccc6)(C5)C1)C4)(C3)C2	195529547	SXLJQEDZDCNBSL-TXHIAYRGSA-N	591.132	8.459	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408538436	MWEGLEVPKULERT-OVVQPSECSA-N	583.084	7.841	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554283	RIRPVEVTVUKJSB-CHHVJCJISA-N	609.691	6.981	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408567016	KCWJWTCJIMVPTK-CHHVJCJISA-N	561.636	7.524	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)cc1	408610869	OUGJNWQOBJSQGC-KKMKTNMSSA-N	535.225	5.732	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408644111	QRNYIXKNLGVIKQ-UCDDGIFISA-N	792.231	5.739	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408644441	REQWSCNSSDAJBV-LAKFJOCUSA-N	519.400	5.138	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408710854	PYICOUISXRPNPV-LGJNPRDNSA-N	563.323	5.080	50	40	KKGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Cl)c1Cl)OCc1ccccc1	408738408	SEDKUDNYSXSBPR-BBPHXPRPSA-N	554.390	5.371	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2-c2ccccc2)cc1	408740156	AAEXWENTVYOPEA-AVLPFNLUSA-N	550.662	7.765	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1	408743122	DSYIEUWBVCBQLI-NKFKGCMQSA-N	538.629	7.098	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccc(Br)cc1	408745079	JPOKWWAAABBDLM-STZFKDTASA-N	537.841	6.964	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1I	408745738	VGIVXSROPMTVKU-DHDCSXOGSA-N	523.168	5.473	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408746653	UXQZAAQIQHWGDU-WQRHYEAKSA-N	527.802	6.244	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408747422	NRAGNYDTKCUWDW-YVLHZVERSA-N	587.224	6.253	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)ccc1I	408747654	RBMLTEDPUBYLRG-KKMKTNMSSA-N	629.676	6.067	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I	408747713	RWANOPZXZCHEEH-GHXNOFRVSA-N	576.026	5.761	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cccc([N+](=O)[O-])c1	408748298	BNCDPLJPKRYOQU-JFLMPSFJSA-N	504.340	5.853	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4cccc(Br)c4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751315	DHDAHNKLUKRTHK-PAPLDOMISA-N	576.560	7.058	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408764662	MUORCTCTVJRNRA-LQKURTRISA-N	503.481	6.231	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)COc3c(Br)cc(Br)c4cccnc34)c2C)ccc1I	408769644	YDMWTMMJPMDLCN-FTCYSYDXSA-N	696.181	6.609	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408791945	FOWLHNBWKAXANP-CXUHLZMHSA-N	562.645	6.695	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccccc1C#N	408799361	YUTWNXCBEPZXSJ-QGMBQPNBSA-N	557.231	6.761	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408799377	YWBMSZUJMUGOSW-CIAFOILYSA-N	579.403	5.457	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1cccc(Cl)c1	408802394	ZSGXWYYTKFPMLR-VCHYOVAHSA-N	593.248	7.121	50	40	KKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1Br	408822159	LDGOKSPVTCDPGJ-CPNJWEJPSA-N	556.254	6.735	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1	408830522	NARIVJCWJWGOCP-LBTISBENSA-N	619.143	5.250	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(C)c(C)c2)cc1	408830999	UHNZZRIKAPKORY-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OC(C)C	408834857	VYZUVFHFAUBWNR-UDWIEESQSA-N	555.856	7.023	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408835276	YEZGFLMUCVFSTQ-XDHOZWIPSA-N	558.259	7.445	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408839677	VIMBKHSIONPNDF-DQZXCFIPSA-N	624.118	7.588	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408841514	HLUGIKGCXXPAHO-IRWBXMRWSA-N	763.872	9.470	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408845807	RTZUUWUOOSNVIO-PONZDJLKSA-N	688.353	8.255	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1Cl	408855652	FSGSGWHKASSTMV-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1O[C@H](C)CC	408857813	WRICQQLPLBYPCS-SYERDGIWSA-N	510.432	5.772	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1	408858970	RTUAPLBZYZGYFH-DXJNIWACSA-N	520.545	6.393	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408860141	WENAYMUBUIZDTB-IPPBACCNSA-N	608.942	5.223	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408865685	DUBDMUGXWABDTE-PNQUVVCRSA-N	596.374	7.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1Cc1cc(C)cc(C)c1	408872565	GLPNRMACFKPOGA-ZMOGYAJESA-N	564.467	7.060	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408873263	RUUBUKSJDPAOPJ-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c1	408875007	HIYLBRDRIZEGMD-BCHBDCPOSA-N	681.095	6.554	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2ccc(C)cc2)cc1Br	408876518	PPRSQYKMRGJYHR-IPPBACCNSA-N	584.414	5.131	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	408881310	MPQPZYVJSHTWGN-LALXJTNGSA-N	666.685	8.631	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2Cl)cc1	408900842	YABSWUDYKLYYRJ-LGJNPRDNSA-N	512.012	5.420	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408947303	BXFFNMLTIXIECJ-JAIQZWGSSA-N	524.835	6.973	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408947537	AZVBYILIUQIIGP-AMUZBVFISA-N	750.430	6.072	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1	408949538	REYUZNUJFFWSPV-NDEPHWFRSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(OC)c1	408951356	TVTXCNALUCTOBI-MUUNZHRXSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408953751	MNVUUGIACKLAOF-AMUZBVFISA-N	797.430	5.914	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408954000	QUBVHTPAOSSNBD-BWAHOGKJSA-N	561.667	6.901	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1OCc1cccc(C(=O)O)c1	409014667	XXJZVFWYUFYSKV-KVSWJAHQSA-N	649.235	5.850	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	409020140	ZMWUWIJNOOOBLO-HOKMHICDSA-N	545.467	5.114	50	40	KKGB	
C=CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409037967	OAPQHUJCCXOVFG-QRQIAZFYSA-N	533.369	5.835	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409038537	PBMCOIQXCDTEEO-JEPNHJGPSA-N	599.672	7.958	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1	409066208	MHOILPNOCLVLGZ-GZTJUZNOSA-N	620.275	5.312	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409074999	WHPNLIJQWLXWNY-FOWTUZBSSA-N	506.889	5.672	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409075086	UCPSKNMETONYDE-JJIBRWJFSA-N	560.628	5.222	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409081353	NTUXZUYFPWHWBZ-MHWRWJLKSA-N	519.426	5.148	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409082018	QVSMWOGNDIEMDI-RQZCQDPDSA-N	567.352	6.229	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1	409090337	PAACSDDMKMWLLF-OVCLIPMQSA-N	568.143	7.995	50	40	KKGB	
COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c(=O)c1C#N	409195225	NQJQAOPVHWRMHG-PUHLOBNQSA-N	596.485	5.244	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409218507	JECWFBKXJJVMIR-YBFXNURJSA-N	568.855	6.291	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1	409220715	DVJZELVDFLHHJH-CTPANLQCSA-N	525.830	6.474	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Cl)cc3)cccc2[N+](=O)[O-])cc1OCC	409222936	FQALPFVANUVHJZ-DICXZTSXSA-N	511.918	5.029	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc2ccccc2c1	409233907	ILFYMRJPFQLKQV-ZPPBPVQNSA-N	602.472	7.206	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)ccc1OCc1ccccc1	409250656	MIZOOHSJXGKHGS-HQDYHJHZSA-N	592.479	6.753	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409262973	KWWVNQNTTPREIQ-RGVLZGJSSA-N	583.382	5.907	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409263050	LJGXVYRNNLQRPQ-GIJQJNRQSA-N	603.800	6.252	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1	409269175	GLQLUUQWHZQOOI-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2C)c1	409271738	WLEUXYMHSCSBEU-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2OC(C)=O)cc1C(C)C	409288372	GSNVATPUUSQVBB-UHFFFAOYSA-N	514.538	5.220	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1OC	409312432	KXGPBDUGUHDPFR-PPDIBHTLSA-N	566.221	5.711	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1OCC	409319906	NLVJEMURCIXDQK-MNDYBZJGSA-N	633.337	6.099	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)NC(=O)C[C@H]1c1cccc(Br)c1	409324453	UHFAIDRCOIRYPU-INIZCTEOSA-N	511.228	5.466	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	409324899	WCVSNRBSNBZNGX-CNCDYAKUSA-N	679.793	6.918	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCc1cccc(F)c1	409335924	QHPDAUZGFGRBDQ-MUXKCCDJSA-N	578.378	5.189	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1	409366635	XKHJQEVKOSKYRV-LQNQUEJISA-N	531.406	5.645	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1ccc(Br)cc1	409367490	BQBZJJNSGFUTAR-LICLKQGHSA-N	520.221	5.329	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Br)cc1	409384009	VIARQSPCFXBVNO-WQRHYEAKSA-N	553.254	7.130	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccco1	409394684	DQAOHVULWZVSSR-UHFFFAOYSA-N	654.258	6.778	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)cc(OC)c1OC	409395072	JLUNCVZCJGFFGZ-UHFFFAOYSA-N	725.365	7.508	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396221	HEDMRMPHWZAWFB-UHFFFAOYSA-N	656.060	9.042	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409397432	JVKFJLAOSBGSLZ-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(Br)c4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409398531	UHFOCCVQHVNWAO-UHFFFAOYSA-N	720.960	7.185	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(F)cc3)o2)cc1	409402655	KKJJANQLDZRRCO-QMRORBIVSA-N	661.484	7.419	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OC(C)C	409403412	MQRVCXZYQTUWDJ-APTWKGOFSA-N	541.648	6.554	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccccc4)c(Br)c3)o2)cc1	409405257	SJMXMHXOMPPSGF-VHFSBPNMSA-N	720.418	7.573	50	40	KKGB	
CCOc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)o2)cc1	409407690	GSMWVUHOJMJJBZ-MZFJOGFUSA-N	523.589	6.689	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccccc1F	1531386384	RSVMRSSLKAMTER-XZYGTATASA-N	567.617	6.757	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1Oc1ccc([N+](=O)[O-])cn1	1531386441	XHCDAIZGUJEYDA-ATZGPIRCSA-N	581.585	6.134	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	1305256	QUBHLYPIRFXZKG-SANMLTNESA-N	564.498	6.403	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Br)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	1876696	QGBIQORHVZXYGC-CCVNUDIWSA-N	567.534	5.639	50	40	KKGB	
CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1	3142929	JUZXCYBWRLICEM-MUUNZHRXSA-N	506.606	5.563	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	4391374	CVTAUVLTJCZWBJ-XMMPIXPASA-N	554.619	6.473	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc(Br)ccc2O)cc1	8386403	IPSNXMDEOZCJNR-QDWCBANGSA-N	569.887	5.576	50	40	KKGB	
COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1	9046881	ZWNLYGIXBHTPBS-NJZRLIGZSA-N	527.694	6.181	50	40	KKGB	
N#C/C(=C\c1ccc(/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1)c1nc(-c2cccs2)cs1	13514408	NDHDBTSGIRSGBK-AYKLPDECSA-N	510.694	8.185	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)ccc1O	13596821	IOKVRPJWEIPQJA-VULFUBBASA-N	500.024	5.060	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	20347860	HLUBTLOFFIRDAG-RUZDIDTESA-N	502.571	5.434	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1ccccc1Cl	28217201	PIALNPUZAOWFGA-QNKGDIEWSA-N	526.084	5.834	50	40	KKGB	
CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2ccccc21	46084979	QMIHFUNIPKTOLU-QVTSOHHYSA-N	506.002	5.355	50	40	KKGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	59646694	FASIARBRAXJVET-QNKGDIEWSA-N	594.649	5.673	50	40	KKGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1	97946773	DQTJNUSTEARGPD-QQXSKIMKSA-N	535.003	5.994	50	40	KKGB	
O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C/c1cc(I)c(O)c(I)c1	97957716	NOZNPJQUAPDSEN-HNSNBQBZSA-N	711.341	7.431	50	40	KKGB	
CCOc1cc([C@@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(I)c1OCC#N	97959971	DJIUNIKETXIJRI-LYHRCORUSA-N	581.458	5.458	50	40	KKGB	
O=C(Nc1ccccc1Oc1ccc2c(c1)C(=O)OC2=O)c1ccc(Oc2ccc(C(=O)Nc3ccccc3Oc3ccc4c(c3)C(=O)OC4=O)cc2)cc1	98001505	WQKFXDSHHDDAQJ-UHFFFAOYSA-N	732.657	8.189	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(N)=C(C#N)[C@H]2c1ccccc1	98006253	BVTHKIJDXNWYEB-JOCHJYFZSA-N	567.662	6.790	50	40	KKGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1cccc(I)c1)oc1ccccc12	100527477	SGCCVTYLEGFDKW-MZJWZYIUSA-N	541.345	5.334	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	100956177	JDAVNFYFLANBCU-XDHOZWIPSA-N	541.356	8.290	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@H]1c1ccccc1Cl	101042396	CUOGKZOXJQWBCM-HHHXNRCGSA-N	548.064	5.751	50	40	KKGB	
CN(C)c1ccc(/C=N\c2nnc(SSc3nnc(/N=C\c4ccc(N(C)C)cc4)s3)s2)cc1	101462375	XXFJGCVUYUZHKG-GACBQCINSA-N	526.742	5.822	50	40	KKGB	
COc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C(C)=O)cc3)=C(C#N)[C@H]2c2ccco2)cc1	102760662	YDKWFWUPKIWYNK-MHZLTWQESA-N	542.617	5.197	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C\c1ccccc1OCc1ccccc1	103248519	UYPWDSVTMJIPKH-DFDIYMMZSA-N	561.111	5.940	50	40	KKGB	
Cc1ccc(/N=N\C(=N\NC(=O)c2cc(Cl)ccc2C(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1	104315697	ZLQPWYDRPWCDQZ-INMCONQQSA-N	616.125	7.697	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	105436751	IBBXWMWFGJODIV-ZXVVBBHZSA-N	528.472	5.308	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1cccc2ccccc12	112264992	KBNQOLVNKQGLAD-WKULSOCRSA-N	570.814	6.449	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CI)CC[C@]4(C)[C@H]3CC[C@@]21C	118931430	YYROTNSLTVSUFV-MSZUPSMGSA-N	554.597	8.375	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1OC	150474840	NHRZDKUYXCZBST-FZKWRIDDSA-N	643.593	5.802	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1nn(Cc2ccc(Br)cc2)cc1Br	150572950	BPIDCMHXFYXJKR-HCGXMYGOSA-N	635.936	5.451	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cccc(C(F)(F)F)c2)cc1	162394352	LGOFEXIFNBTAMP-IZYHBKOJSA-N	659.086	6.030	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1	164723788	SNJXMHFHFYZACN-LSCVHKIXSA-N	664.237	6.058	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1C#N	408545407	YOPFLACYDQOQPY-FBHDLOMBSA-N	536.325	5.513	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408551524	DMALHFGXLHRJDB-LICLKQGHSA-N	656.477	5.814	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCc1ccc(I)cc1	408605546	MABXBPSDBYGHRJ-PXLXIMEGSA-N	561.423	6.938	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408657796	JEIZVPMKALZLQL-KURUHYRVSA-N	664.778	5.198	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408678874	DPPGYZSGLAFMIS-YEYGNOCGSA-N	646.119	5.237	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(I)cc1	408710923	WXDGUTINPODGBK-MZJWZYIUSA-N	609.258	5.804	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408725551	LQWFQUSQVVRLMT-QCHBRLADSA-N	554.710	6.720	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)OCCO1	408727970	YTIPNTLMZWZJIY-KIBLKLHPSA-N	675.088	5.385	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408729152	XZJMOCSHZRSFPZ-OCSSWDANSA-N	580.422	5.733	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1	408745191	PZFMOUFLZJVFHZ-WQRHYEAKSA-N	668.244	6.558	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(I)cc3)o2)cc1	408756254	PMTUIJDNZAEIIM-LGMDPLHJSA-N	512.303	5.274	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl	408757133	XHLFTWPLZBZVDM-FOWTUZBSSA-N	592.220	6.161	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Cl)c(Cl)c1	408760280	VYYZAMXRWBSYPM-BHGWPJFGSA-N	573.208	5.196	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(I)cc1	408765488	WGGANHHBHGMJMA-ZDLGFXPLSA-N	682.150	7.340	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@H]3C#N)c2C)ccc1I	408773968	NKOURRQJSGEVGI-AORZGZFPSA-N	546.416	5.215	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccccc2Cl)cc1	408782645	XYUNLUNMXZPZDL-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C	408786879	OWFQALXRTBETMS-IWIPYMOSSA-N	574.906	7.943	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1	408787956	HTSYWCYAZCNOEV-RQZCQDPDSA-N	506.216	7.733	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408792364	AYXXODYNSWTNKO-VXLYETTFSA-N	617.827	6.685	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Br)c2)cc1	408801589	UTUUJDHSGIOPKD-PXLXIMEGSA-N	527.418	7.044	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OCc2cccc(Cl)c2)c1	408822401	BGOJSWVRSXCHAW-LFVJCYFKSA-N	559.449	7.706	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC	408829364	NRLUKBCFWVPOMB-VGOFMYFVSA-N	556.784	5.305	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1cccc(F)c1	408839274	PVFNWSIJVOQKHH-IZYHBKOJSA-N	659.581	8.505	50	40	KKGB	
O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)o2)cc1	408841253	DWWCMNWDFISJFK-FJEPWZHXSA-N	543.004	6.929	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)cs2)cc1	408841652	GECFOSMQUYKQKU-MUFRIFMGSA-N	523.574	6.794	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)cc1	408851304	BAHQFKXXUXVGMU-VJFFKGOWSA-N	539.657	5.764	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1	408855293	BYRFDMZOHWKJTH-JFLMPSFJSA-N	533.875	6.323	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408859677	OTZZVCPQSKPNAR-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1)NCCc1ccccc1	408862479	ZLACPXPVKXWDKT-JBFMKSPFSA-N	588.752	5.643	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1Cc1cc(C)cc(C)c1	408869557	SJRXBLAVDFFUJS-ZVHZXABRSA-N	517.467	7.164	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(Cl)c1	408871711	ZKKQDOMJVOVQQL-CAOOACKPSA-N	521.322	7.145	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(OCc2ccccc2)cc1	408873985	YFHUZFLDQPAXTG-XODNFHPESA-N	543.432	5.777	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3Cl)c(OCC)c2)cc1	408881594	NQXFSDIKVHEFHD-FYJGNVAPSA-N	523.416	6.705	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2OC)cc1	408886039	CZVVRJIBRROHKW-LDADJPATSA-N	554.340	5.073	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(Cl)c1	408886654	KZZDENJSBWPPOT-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408889558	FFRNYRDJGPZCDQ-LICLKQGHSA-N	579.221	6.731	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	408900878	YLYLPGGPFJHZHI-RPPGKUMJSA-N	502.448	6.425	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408926184	VUKLTLXNFQGQBR-VFCFBJKWSA-N	617.621	7.637	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cn(Cc3cccc(Cl)c3)c3ccccc23)c(OC)c1	408947129	ALAULWZFKKXSCQ-GNERFYITSA-N	630.101	5.072	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1	408947161	APMPQVMKZWXJCO-UIGQDENISA-N	671.534	5.310	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)c(F)c1	408968214	UTJAJCUAXODMFW-IPBVOBEMSA-N	643.169	5.389	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c2ccccc2)cc1	408979954	OWFKJVWYESAORE-SXFMDCDQSA-N	656.602	7.050	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(SCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1	408993902	XZWTUDCGXLGPMF-KCTSWOMUSA-N	657.749	6.039	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccccc1OCc1cccc(Cl)c1	408998078	ACLGHUMGPNSKDT-RLBGMPNZSA-N	512.009	5.931	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cccc(C)c2C)cc1	409026102	GGANLPGJUODYFT-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1OCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12	409030546	DVJJEGLPOMGFOR-DPNNOFEESA-N	662.325	7.612	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccccc1C#N	409034736	IFDXQTNZVIHKAS-XZYGTATASA-N	591.465	6.887	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	409071586	KJLAYMBONSCPDV-XNTDXEJSSA-N	580.229	5.664	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2O)cc(I)c1OCc1ccc2ccccc2c1	409085099	YJBNKZYDVSZDQO-MUFRIFMGSA-N	566.395	5.892	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Cl)cc1	409135052	PQUJYSDAQNMDBB-QFIPXVFZSA-N	513.775	5.614	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	409189196	FHKISRFYQMIGSJ-RPPGKUMJSA-N	517.763	5.152	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409234677	XBPDISRPPUYLJR-FXMZOFOKSA-N	589.086	6.929	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1	409254398	XBUFVBICHFUJRG-CTPANLQCSA-N	617.281	6.426	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)c(C)c1	409255169	ZIUFKAIDCQQTRU-LPYMAVHISA-N	532.438	6.246	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc3ccccc23)ccc1OCc1ccccc1	409320131	PFMQJGXGKAOGLN-OJYCWLPVSA-N	595.493	7.533	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1OC	409325136	XJLIVZUXPWGRHJ-RHANQZHGSA-N	588.442	5.830	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409359243	APHVPEXFVCZASE-NDENLUEZSA-N	560.229	7.096	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)ccc4OCC(=O)Nc4ccc(F)cc4)cc3)cs2)cc1	409363262	LAUYSTKGNYGVSX-QMRORBIVSA-N	658.553	7.545	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c1	409367645	GVSLTFYXNGZMRA-KKMKTNMSSA-N	676.676	5.909	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccc(Cl)cc1Cl	409371751	MYOWBAARZMMMKF-PXNMLYILSA-N	507.186	7.547	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2F)c1	409378623	QMUPECLXZIDAHX-LDADJPATSA-N	508.347	5.460	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Br	409379647	YYWCUXKJEHUHSI-CPNJWEJPSA-N	520.383	5.329	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409382838	RVZHNZUHDJYXMA-KOKCXWAISA-N	714.642	7.813	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(Br)cc1F	409386815	SHHXTNGVVPXJHI-OPEKNORGSA-N	515.364	5.883	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)c1	409394783	FUOKETCQQBGRSO-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1	409394919	HMTAAEAJBRIAHU-UHFFFAOYSA-N	807.664	8.610	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395372	MULAMRHBGHYLDE-UHFFFAOYSA-N	573.392	7.033	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)cccc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396381	OHERJDUBNYUXPJ-UHFFFAOYSA-N	656.135	7.676	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409398231	RVHDYWZMQLFYKN-UHFFFAOYSA-N	577.593	5.954	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OC(C)(C)C	409398746	GFVYVKXTGKDTAC-KYHGBAKBSA-N	594.506	6.978	50	40	KKGB	
COC(=O)COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401200	GUGWLCPBHDMPAT-OHUYPAJKSA-N	551.599	5.735	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(Cl)cc1	409402118	VILOLLDVRXJIOU-UHFFFAOYSA-N	584.072	7.271	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1O[C@H](C)C(=O)O	409402913	LFSRCKPUJZCLQJ-XVIDZLOXSA-N	624.488	6.043	50	40	KKGB	
C[C@@H](CCC(=O)NN=C1C(=O)Nc2ccc(Cl)cc21)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	1889246753	UKBJVLJEAXCAFE-MAYARNBJSA-N	570.174	5.519	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)s1	1762579	YPVADHQQDOELBJ-ZMOGYAJESA-N	512.458	5.309	50	40	KKGB	
CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	2310764	CIRUYKPCYDVCSP-VQTJNVASSA-N	504.395	5.333	50	40	KKGB	
Cc1cccc(OCCOc2ccc(Cl)cc2/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)c1	2554361	KCQWYCBAIQYUMV-OCSSWDANSA-N	564.067	5.211	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	2696283	IREKOTVOINKKMO-LGJNPRDNSA-N	571.844	5.501	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccc(Br)cc1	3087029	NNFTWYQATFRBPZ-KKMKTNMSSA-N	596.659	5.622	50	40	KKGB	
O=C(NNc1ccc(Br)cc1Br)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	3616037	SYOLLKDWERZYGE-UHFFFAOYSA-N	545.058	5.898	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1c(F)cccc1Cl	8451195	ZALPPKPJLANZFR-QFIPXVFZSA-N	539.032	5.432	50	40	KKGB	
CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCCN4CCOCC4)c(OC)c3)c3ccccc3n2)cc1	8454670	DEXCHGGSHQNSDD-PPFNPFNJSA-N	552.675	5.338	50	40	KKGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	15228899	WXTBHZADHSJOJD-RIYOOATHSA-N	520.265	6.067	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1OCc1ccc(Cl)c(Cl)c1	59292119	SVUKDKGGHOCQAQ-RCCKNPSSSA-N	503.385	7.280	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	59437038	VZFYNGUUIINAIU-KBKYJPHKSA-N	509.187	5.502	50	40	KKGB	
O=C(Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2)NNC(=S)Nc1ccccc1	59690495	QEBFEUMRSIGSBS-MEQDMEQOSA-N	557.166	5.233	50	40	KKGB	
CCOc1cc([C@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(I)c1OCC#N	97959972	DJIUNIKETXIJRI-BOCKYXSRSA-N	581.458	5.458	50	40	KKGB	
C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Br)o2)c1	97965354	DDRNFKNNTHIXHD-CCVNUDIWSA-N	553.240	6.301	50	40	KKGB	
Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1	97980797	SQIQLLNGXWYYGP-HNSNBQBZSA-N	563.683	6.029	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccccc1	100100193	YAHCPYWQGJPFFK-OKCVXOCRSA-N	552.925	7.566	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)c1	100124802	BTUKLAOULHMNFG-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100125832	XOOPZUPKOSOHDF-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	100129931	QUQHWPZSKDIENU-RGXNXFOYSA-N	563.123	5.440	50	40	KKGB	
N#CC1=C(N)OC2=C([C@@H]1c1cc(Br)ccc1F)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12	102066094	BWGGZTOWGGLLHB-JOCHJYFZSA-N	556.388	5.254	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	102276817	BIABGVGJZNKVBT-GVTWYCRYSA-N	558.934	5.158	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2Cl)N1	102808794	IZQJJLCJHCMWHR-RUZDIDTESA-N	581.525	7.218	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(F)cc1	103890474	NNRSRMJDJMDOKE-YVLHZVERSA-N	564.238	7.418	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342148	OASDPJNBARLECF-REOHCLBHSA-N	742.023	9.022	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	150438506	IXOUFGMIXATOMJ-OKBUYZRPSA-N	625.990	7.759	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	164696687	LTXPHBQCWLHLJO-STZFKDTASA-N	662.753	6.542	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCC[C@@H](I)CC(F)(F)F	169795363	UIXIIUBOQPSXAD-TXEJJXNPSA-N	558.126	7.619	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795460	VBFNNEMNXIYYSJ-QZTJIDSGSA-N	842.316	12.501	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(OCC)c2)cc1	408538974	SFTDXBMJLPFXBJ-MTDXEUNCSA-N	671.588	8.349	50	40	KKGB	
Cc1nc(-c2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Cl)c3)cc2)cs1	408551756	FVFMXDWZPSCTPW-FTCYSYDXSA-N	573.889	6.860	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1OCC(=O)Nc1ccc(F)cc1	408553224	MXLKNNDOFFPTMI-QGOAFFKASA-N	530.581	5.209	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(Cl)cc1Cl	408554245	QZCWMRQXZCHVDM-GIJQJNRQSA-N	678.379	7.933	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1	408565847	BJSSYIFMFMLCAK-WKULSOCRSA-N	564.392	5.871	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OCc1c(Cl)cccc1Cl	408612323	YDLKEZZELDYFMJ-OAHLLOKOSA-N	534.827	5.731	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408641616	KRXCOVOWCKZKEU-IMWYJMLKSA-N	772.938	8.331	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]21	408658994	VJQVGEQOMUNLAP-VGZQXCIPSA-N	551.829	5.567	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1Cl	408660415	LHWOHSCJEWZUOR-UHFFFAOYSA-N	530.065	5.817	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1-c1ccc2ccccc2c1	408724008	CEMSDGAOSKRXBU-GOJREDGKSA-N	536.635	7.344	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	408744601	MFXVOCNZRATPEP-GRSHGNNSSA-N	525.786	6.234	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408746457	SSXCERYIQURFRM-NVMNQCDNSA-N	571.656	6.861	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1cccc(Br)c1	408756496	SKRNWFPBPPOHAT-HAHDFKILSA-N	506.403	7.151	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(Br)c1OCc1cccc2ccccc12	408762069	CKRIIALJFPRJCP-HMAPJEAMSA-N	653.314	7.730	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408788458	KCXNDVBWKRRZAW-LFVJCYFKSA-N	618.325	7.915	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408792452	JZDPMVQFIYBUKZ-ZVHZXABRSA-N	652.372	8.858	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1OCc1ccc(Cl)cc1	408794155	HYZVLUAMYSQJPK-LPYMAVHISA-N	507.417	7.164	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccc(I)cc1	408797492	RTGNHCVATYPXPS-KGENOOAVSA-N	582.394	5.601	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2I)cc1	408798911	XGAUMCQZCVTVBP-VCHYOVAHSA-N	607.673	7.140	50	40	KKGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408822999	BZNNJWDBTCYBDT-KYHGBAKBSA-N	629.522	5.465	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408826735	CSDQFLULSUDFAN-JEPNHJGPSA-N	618.542	7.071	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408836307	PWHUPVZHYWGYJS-BUVRLJJBSA-N	696.823	8.967	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408841092	FOLRPLLFSUMPHP-MHDJOFBISA-N	677.920	7.461	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841315	FHQKRSUYZMTSHN-AABVJFSESA-N	743.852	8.917	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1	408841994	NCMFHWMOIJFLGX-SGWCAAJKSA-N	550.464	5.136	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1	408843886	SRPWKEZNFFDUCZ-XAZZYMPDSA-N	636.437	6.782	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4cccc([N+](=O)[O-])c4)cc3)cs2)cc1	408844009	OHASIMADZGTKQR-ATZGPIRCSA-N	642.535	7.876	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1cc2ccccc2o1	408849753	YPBLMTPKFSIYFF-FXMZOFOKSA-N	508.188	7.389	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cc2cc(Br)ccc2o1	408853040	YEJPEQVQMNPRNT-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)c(OC)c1	408872258	CACFXFWYPKCCTE-SRZZPIQSSA-N	584.410	5.119	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OC(=O)c1ccc(OC)cc1	408888045	WANLVVLHNBNVKM-LICLKQGHSA-N	600.809	6.183	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccccc1Cl	408888856	BWMREGFHRCRSSH-MWBNBJEGSA-N	630.023	8.074	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	408893707	GWOAUPJOXVYZPV-WOJGMQOQSA-N	536.338	5.439	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2Cl)c1	408898116	UQBTXOKLWHPILF-HIWRWHBISA-N	559.013	7.139	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)ccc1Br	408905078	SSQVMZGJCGGIQA-ZRGSRPPYSA-N	535.211	6.394	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccccc3Cl)cc2)c1C	408942035	FFVNXXSRFHCXBP-UMSFTDKQSA-N	686.234	6.212	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408942086	FNUIJAOSIGMYFQ-MUUNZHRXSA-N	672.001	5.567	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(I)cc2)c(OCC)c1	408943196	HFGWYCFKFRVOCK-SSEXGKCCSA-N	728.609	5.154	50	40	KKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)c1	408963994	BBAWMRYCPMHKEJ-XODNFHPESA-N	634.268	6.148	50	40	KKGB	
COc1ccccc1OCCOc1c(Br)cc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OC	408973477	SQPYMPKBZUVWTK-JFLMPSFJSA-N	533.806	5.341	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C(\C#N)C(N)=O)cc4[N+](=O)[O-])sc3c2)cc1	408993283	VKCXFEPQBCCXSR-LICLKQGHSA-N	515.576	5.309	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1	409000445	YGKVUFURBKONRN-VTNSRFBWSA-N	606.860	6.347	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(OCc2ccc(I)cc2)cc1	409002955	XMSBBIOPKRFKLD-YKQZZPSBSA-N	562.407	6.066	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	409016571	QIWTYMXGRRWAPT-FGKZGYDMSA-N	658.579	6.540	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Br)cc1	409020126	ZMBKENGFFYTXJE-YTBMSWETSA-N	529.262	5.204	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4c(OCc5ccc(Cl)cc5)ccc5ccccc45)cc3)cs2)cc1	409031575	HMIDNINGDXCOLS-HASSKWOGSA-N	603.147	9.012	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409077952	GPAXHVGVZCBPLG-LICLKQGHSA-N	522.901	6.202	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409089748	JVUFERCUPBWUTF-RQZCQDPDSA-N	590.352	7.340	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409125758	FDQLIVZQTCEXFE-VWLOTQADSA-N	605.360	6.718	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Br)cc1C	409160103	XNNHMSJLBLRGLU-VVEOGCPPSA-N	622.303	5.569	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1cccc2ccccc12	409181418	CFRWMLSDNDCHAY-TYRBNLMUSA-N	592.611	5.715	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1Cl	409199305	BXOWAIHPQJZOIT-XODNFHPESA-N	568.320	6.976	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409203132	WGZXDIAMALXCFE-GRSHGNNSSA-N	524.327	6.307	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1	409222873	DNGVHOYHKIFYNH-ROTLSHHCSA-N	536.607	5.848	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1cccc(F)c1	409229342	NQTJMDRKVYDFJU-KKMKTNMSSA-N	502.999	5.106	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1	409251346	PILIPUWJLZVMJK-WBRURWICSA-N	506.356	5.721	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C	409253210	WLEZZPRMTXJQSI-ODLFYWEKSA-N	549.381	5.537	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1C	409254106	DBCFHZJXCCWKKL-ZDLGFXPLSA-N	565.380	5.238	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl	409254647	ZVJWOGPSVDHOEL-LZYBPNLTSA-N	638.143	7.390	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)c1	409258741	ZYLGHPOSUYORJN-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Br	409261978	GLHCGBDJSRNKKT-VCHYOVAHSA-N	571.225	6.510	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1OCC	409309603	JPSZFMWOVFIKEV-MWLSYYOVSA-N	545.861	6.633	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1OCC	409313235	IGOSEXSVHNIHMN-DICXZTSXSA-N	542.932	5.900	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	409313879	DIQGIJGKWVXJRK-ZMGVVAQMSA-N	669.326	7.050	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccccc1Cl	409371725	GQMFYRCANQIQCA-VYYCAZPPSA-N	593.805	5.523	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1ccc(Cl)cc1Cl	409372018	DKCSSEHLMKJMSU-VWJSQJICSA-N	649.312	7.501	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc5ccccc5c4)c(Br)c3)[nH]c2c1	409374746	YIEKYGNLNZIAMD-UUYOSTAYSA-N	573.288	8.193	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1	409387935	YSWPFYBYROFKAZ-KVSWJAHQSA-N	523.401	6.883	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Br)cccc4c3-c3ccccc3)cc2OCC)cc1OCC	409396273	IWSYXDIFMROOFZ-UHFFFAOYSA-N	670.560	7.777	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397739	NKDBOFPGTBKFTF-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)o2)cc1	409406667	BXKCZNCMEUAXGD-YKQZZPSBSA-N	523.549	5.729	50	40	KKGB	
Cc1nc(SCC2=C(C(=O)OC(C)C)[C@H](c3ccccc3Cl)C(C#N)=C(N)O2)c(C#N)c(C)c1C	1421625	UNCAOCLOEGTSBT-JOCHJYFZSA-N	509.031	5.338	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1)c1cccc(Br)c1	3177648	IDXFYLXRMWSAON-RUZDIDTESA-N	526.392	5.440	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(COc3c(Br)cc(C)cc3Br)cc2)cc(OC)c1OC	3254248	JAUSWRAZQWFBLJ-XODNFHPESA-N	592.284	5.889	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	3990181	JYOQCYKHHYMIBJ-SANMLTNESA-N	515.591	5.248	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1Cl	4196292	QZEILALJAJWDRR-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1	28632452	AMPJRDZJNIVXOZ-HCOVDNQSSA-N	505.456	6.579	50	40	KKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccc(Br)cc1	34897842	BHNHNQNLWZTTQF-PDGQHHTCSA-N	508.328	5.491	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1ccccc1	35419657	XADSODWVDADYCH-STBIYBPSSA-N	503.396	5.883	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Br	36040337	IYRFTBFWIPQFBG-DTBYOGDJSA-N	508.254	5.772	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	97950403	UWJSONWAPOFTOD-HSZRJFAPSA-N	530.477	6.403	50	40	KKGB	
O=S(=O)(/N=C1\C(Br)=C(Br)/C(=N\S(=O)(=O)c2ccc(Cl)cc2)[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1	97983314	UVNNXZBWWIJGNO-SAQQSGSFSA-N	772.944	6.495	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)N2)cc1	98048647	WNLOEIMTIQAKNS-SANMLTNESA-N	645.059	6.835	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	100062202	CQJZSULLAVPRNW-RPPGKUMJSA-N	536.651	6.516	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100122766	VVAOHTSFCZEPLV-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1C	100124670	KZDBYDOEUGHUPQ-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100126872	CYZJJKAPXUYGPC-STBIYBPSSA-N	566.039	5.001	50	40	KKGB	
COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C1/C=C(c2ccccc2)SS1	100500925	XOYGDRLMLXVKAE-MRCUWXFGSA-N	535.515	6.374	50	40	KKGB	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	102753511	FRTGRUXYMUCSLR-SANMLTNESA-N	568.537	6.592	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2c(C)cc(C)cc2C)=C(C)N1	102808646	SAGRDABBQXAGGS-NDEPHWFRSA-N	554.716	6.782	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	103844215	XORHLQVPMNMUSW-UCQKPKSFSA-N	557.050	5.812	50	40	KKGB	
CCOc1ccc(/N=N\c2ccc3oc(=O)c(/C(C)=N\NC(=O)CC(=O)Nc4ccc(Cl)cc4)cc3c2)cc1	104292078	XDIFPRCWMHKNKS-RZISLKQVSA-N	545.983	6.130	50	40	KKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)OOC(=O)CCCCCCC/C=C\CCCCCCCC	104348881	BWBVNPNIHQQWIR-CLFAGFIQSA-N	562.920	12.063	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)cc(I)c1OCc1ccc(Cl)cc1Cl	105509581	XMZOEQYDQBQGPO-KBKYJPHKSA-N	571.198	5.655	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C#N)cc2)c(C(=O)OCC)c1C	109681682	DHPDMEQOCRUOJX-WSDLNYQXSA-N	577.058	6.233	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	150426901	MHAWIGYWHINEBK-WKULSOCRSA-N	646.266	6.700	50	40	KKGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	150469904	SXCSDYGCCBQGJL-UHIZKJEFSA-N	663.967	6.037	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795304	SGSBRPZTEMQATO-HTQZYQBOSA-N	602.032	7.329	50	40	KKGB	
COc1ccc(C(OC[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](CO)n2ccc(=O)[nH]c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1	197933428	DGDAHUFADFEQOP-ZQWAWDFXSA-N	662.856	5.460	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2	207047972	KTXHEIZRWNUOHW-UDWIEESQSA-N	514.379	5.404	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	209279784	YLRFJDJZHMTJNC-MOSHPQCFSA-N	511.405	6.915	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)ccc1OCc1ccccc1	408538846	CLIOTDCLMRYECO-MZFJOGFUSA-N	555.587	5.924	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)cc1	408539734	YJGQUDLPMNCUMG-YSMPRRRNSA-N	657.517	6.957	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC	408540091	MZETUFWSISJGMZ-RGXNXFOYSA-N	583.523	7.158	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccccc1C#N	408567531	FNIDJBPHMJAYKK-OCKHKDLRSA-N	517.358	6.378	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408641406	KKOOLMJTZPJQBI-IMWYJMLKSA-N	722.038	7.163	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408641614	KRXCOVOWCKZKEU-DUUJBTRBSA-N	772.938	8.331	50	40	KKGB	
O=C(COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)NNC(=O)c1ccccc1Cl	408644138	DHPIRLPGTVDHPI-UHFFFAOYSA-N	528.779	5.480	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408659604	WBNNJQSJLFTESK-FFFWSKEGSA-N	702.183	5.264	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1	408659721	PEANUTJZJYEOGU-LTFHSFQUSA-N	679.383	7.475	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408710884	UDOGCESZXBPKKO-LUOAPIJWSA-N	769.997	6.772	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1	408728847	VMAUEWLEMRQCIV-FDAWAROLSA-N	596.934	6.570	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408743484	GDANJWSMZBAIJZ-PDGQHHTCSA-N	512.201	6.336	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1cccc2ccccc12	408766885	UEOJJUUUHMTBHK-BUVRLJJBSA-N	541.445	7.434	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1)Nc1cccc(Cl)c1	408773678	IRRGCISINPMLAZ-FDAWAROLSA-N	530.049	6.414	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)ccc1OCc1ccc(Cl)cc1Cl	408790087	NJUARBHNFOIYGA-JCMHNJIXSA-N	538.475	7.363	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408798259	VJOPBDIQUWAFDU-KEBDBYFISA-N	536.382	6.107	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(I)cc1	408798670	WPADMAXDOPAXCU-LICLKQGHSA-N	560.775	5.783	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)cc1	408799521	ZMIUHUCXIIQYNX-CIAFOILYSA-N	554.282	7.207	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408813762	YLZOGISEBUZADS-MNOULKQQSA-N	584.308	6.974	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Br)c1	408817735	WYGOMPVMGUMRKA-WQLSENKSSA-N	538.648	7.155	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(Cl)cc1	408818056	MSUAGFACVGGOSY-WQRHYEAKSA-N	529.793	6.765	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408823121	DRULOADCFZJWDJ-NHFJDJAPSA-N	545.038	8.197	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408828907	WMIYSTFDSXVYBT-HZHRSRAPSA-N	618.871	7.714	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)c(C)c2)c(OC)cc1Cl	408834297	VPPVHYWZKDMXHP-KEBDBYFISA-N	511.405	6.752	50	40	KKGB	
COc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408834298	UGNJLLCJHNZZER-CNCDYAKUSA-N	649.940	5.728	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccccc1F	408842571	OSFBMNGQHMHGIW-HBHSWBPBSA-N	607.029	7.369	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408842775	KUFPGYQNVDBBIF-XAZZYMPDSA-N	589.437	6.940	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2F)c(Br)cc1OCc1ccc(Cl)cc1	408847491	NEUDLSNJILTYDY-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1	408849819	ZNBSGIGDXIJMSG-OJYCWLPVSA-N	598.928	8.212	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408852131	INXADVMGVYMUCY-XODNFHPESA-N	552.252	6.506	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408853775	RRWZADRHHNOIFN-PPDIBHTLSA-N	562.645	6.954	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc2ccccc2c1	408854902	BAGJSNPKUGPBNQ-BVMLUPFRSA-N	655.286	7.305	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1Cl	408858201	QNNMDENSVSFYHM-DBSPGSINSA-N	642.981	8.610	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(Br)cc1OCc1ccccc1	408858927	UKTHVMXJNBYGLO-LGJNPRDNSA-N	595.231	5.501	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1Cl	408868928	OGSRVOHAUKLAET-BCHBDCPOSA-N	589.644	6.603	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1	408869384	COKOTFBEPNXDIL-VCHYOVAHSA-N	531.328	6.601	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408870945	XKHTWGACNUKJLL-QNKGDIEWSA-N	603.697	5.027	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccncc1	408871438	YUYIPQYYSYUGMH-GATIEOLUSA-N	568.063	5.712	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408881494	LKSIFYVMKHYABA-OQLLNIDSSA-N	731.262	5.126	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccc(Br)cc1	408883126	RMRCCCQTROQUSY-YBFXNURJSA-N	522.355	5.799	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1cccc(I)c1	408883419	VDQRPXCHMJOHDW-GZTJUZNOSA-N	573.184	5.819	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OCc1ccccc1Cl	408883775	UVMSBIMPMTYWEK-UVHMKAGCSA-N	660.677	6.291	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1cccc(Cl)c1	408885601	CRGGVAIRRIVEAX-YBFXNURJSA-N	604.726	7.697	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1OCc1cccc2ccccc12	408887309	NNBJDHPMIMVRMD-LQKURTRISA-N	536.369	5.796	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408890610	WLEJGDIKWHEKFG-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1	408892434	BINWVLPINQRXSL-XODNFHPESA-N	530.433	6.355	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1	408894847	JHLHOBMNVFMHGB-UVHMKAGCSA-N	517.807	5.771	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1OCc1cccc2ccccc12	408898472	WCNJNYFCFAQMCH-PXLXIMEGSA-N	560.391	6.578	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c2ccccc2)cc1	408925221	NTUSWUNPZJWQEZ-RUMWWMSVSA-N	573.671	5.019	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c(OC)c1	408950790	HPISVRIYEQTGPK-ZBVWQCQISA-N	822.407	5.270	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(I)c2)c(OC)c1	408957544	UVPIBKCUPMOHLP-VOSMKULASA-N	858.855	5.857	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2I)c1	408982085	FNYZPOPTZURNCZ-GRSHGNNSSA-N	668.700	7.291	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1	408993123	UQORJAVRXQQSFE-XSFVSMFZSA-N	612.092	7.807	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1ccc(OCc2ccc(I)cc2)cc1	408997007	FXTYLIOFCDWDAM-YNFMAFFXSA-N	695.149	6.473	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(C)n1-c1ccc(C(C)(C)C)cc1	408999380	CPXVRHJOSURXND-FFWKWCQCSA-N	546.712	5.952	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(I)c1OCc1ccccc1	409060412	ZRWDUTJJIVPMPC-CCVNUDIWSA-N	655.274	5.436	50	40	KKGB	
Cc1[nH]nc2c1[C@@H](c1cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c1)C(C#N)=C(N)O2	409142285	XRXHYIUIWMFQPS-SFHVURJKSA-N	585.083	6.347	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cccc(Cl)c1C	409154855	KYAGHLSHXPWWGB-KNBZMSCYSA-N	689.721	5.675	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1)Nc1cccc(C(F)(F)F)c1	409155572	QHXLGUPZBGSHGR-KPGMTVGESA-N	550.493	5.332	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)CC1	409185437	LMGFJAJIOBKPQJ-FADJLKOXSA-N	569.105	6.014	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	409211166	MZKNPUSEGWKEBD-WQRHYEAKSA-N	514.173	6.763	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2ccc(Cl)cc2)cc1	409222757	FEQXVMBIIYDTST-JTLFNLOMSA-N	583.000	5.812	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409222878	FHMRTTFASWQQDW-UHFFFAOYSA-N	680.136	7.347	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)c1	409224272	JPXSMZYQLORNKL-UHFFFAOYSA-N	625.273	6.348	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409237336	WAXCXNGWJBZVKC-CVHFWEDTSA-N	503.986	5.459	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409239237	CPOKUNMNKTVHRU-IPBVOBEMSA-N	553.899	6.274	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OC	409311831	BODIXUHAVQGQNN-DICXZTSXSA-N	537.421	5.322	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)ccc1OCc1ccccc1	409317598	RATBHLVNVSDEJV-CAQPMQTCSA-N	599.492	6.503	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1c(Cl)cccc1Cl	409368146	UCPQPTBFEGRTNK-PPDIBHTLSA-N	589.726	5.751	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1ccccc1F	409371733	LNEWHBQPRXHCDA-SXGWCWSVSA-N	524.160	7.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409373729	TYKSMCOZXVVOFR-WCMJOSRZSA-N	532.980	5.942	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409380317	CEHUSPMYOCWKBZ-LICLKQGHSA-N	561.919	6.460	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409383054	UBJRDEUNHAOHHR-SXGWCWSVSA-N	514.340	5.704	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)ccc1OCc1ccccc1	409386422	LHEKYHUEPKHXKE-UCMJSZAQSA-N	553.615	5.454	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	409391230	ICMOPFIVJMGESG-CAQPMQTCSA-N	519.428	6.863	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl	409394419	AEZOKHZANCFCEW-UHFFFAOYSA-N	795.109	9.421	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409395436	NMUBUARMFQIXAA-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409398599	USVYEDFBGDIIIB-UHFFFAOYSA-N	556.391	6.720	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409399303	ZFLRZIMPDUTUSG-UHFFFAOYSA-N	561.638	6.788	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409402589	XBSVMIHVKJQTNF-LJUMEUDFSA-N	576.447	5.813	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409406978	YJDDLWLXSHJBRV-WBIBEUCMSA-N	611.098	7.009	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(C(=O)OCC)cc2)c1-c1ccccc1	1529544697	LZUMQHMJJMIWBK-FRCBKEKSSA-N	741.870	6.873	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1	1529547239	JTBNOBNUYOIUJQ-YMEQDBNJSA-N	681.609	5.230	50	40	KKGB	
O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)[C@@H]1CC1(c1ccccc1)c1ccccc1	1796958	QXUPJSGPXXNNFQ-XWTGAQIZSA-N	506.005	5.713	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1	1825300	YWBUYKNJJRLQLL-RWPZCVJISA-N	530.700	6.388	50	40	KKGB	
CC(=O)N(NC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)[C@H](c1ccc(C)cc1)c1ccccc1F	1921396	OSGIKHDMDINBBG-SSEXGKCCSA-N	510.609	5.656	50	40	KKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2	2322215	TXIXXGZNOVQFEN-OBGWFSINSA-N	519.579	6.298	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	2329113	GFUQBYFPLGYBAN-WTALZMIHSA-N	512.393	6.197	50	40	KKGB	
CCOP(=S)(OCC)Oc1nc(SCc2c(Cl)cccc2Cl)nc(-c2ccc(Cl)cc2)n1	2381168	CJVZNAZBRWMGPK-UHFFFAOYSA-N	550.857	7.467	50	40	KKGB	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)c1	9192731	ITKXQADJDRUZPP-OQKWZONESA-N	522.634	5.510	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1OC	12464051	VZQFJEOVNIPMLR-QRVIBDJDSA-N	509.078	5.134	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1	16688409	VLLYUGFXFUQIMM-RUMWWMSVSA-N	521.057	7.008	50	40	KKGB	
C=CCN(c1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1)S(=O)(=O)c1ccccc1	19937020	IKOZXGLPLICKBU-WEMUVCOSSA-N	519.626	6.138	50	40	KKGB	
Nc1c(C(=O)N/N=C\c2ccc3c(c2)OCO3)oc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c12	33349837	OPVQIYNRBUBALT-AQLQTECXSA-N	510.937	5.890	50	40	KKGB	
Cn1c(-c2ccc(/C=C/C=N\NC(=O)c3ccc(C(=O)N/N=C\C=C/c4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3)cc2)c[n+]2ccccc12	59364606	FDTRPVQXNHYJAQ-IGSQRKGYSA-P	684.804	6.033	50	40	KKGB	
C[C@H](C(=O)OCC(CO)(CBr)COC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1)c1ccc(-c2ccccc2)c(F)c1	95101070	SOWSPOXXVYKTPD-ZEQRLZLVSA-N	651.544	7.666	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1	97960707	YRNYFIBEDJBPPS-UYRXBGFRSA-N	603.254	6.577	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1	100336186	CRZKKNMOYGGLCA-JAIQZWGSSA-N	572.830	6.695	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	101556245	CTPFRYITKHHXKG-MUUNZHRXSA-N	544.076	5.829	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cc(Cl)ccc3OC)=C(C#N)[C@@H]2c2ccco2)cc1	102808237	VYVTVRPSYKRSNQ-HHHXNRCGSA-N	579.078	6.047	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1	102933462	SYFADNWJQUFACV-CPNJWEJPSA-N	522.355	5.881	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(OC)c1OCC(=O)O	103792555	VEXFOOQRTOCAKA-GUBAARJWSA-N	585.660	6.776	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c(C(=O)OCC)c1C	107716576	XUJKABVWQAXNMU-HYARGMPZSA-N	596.101	6.760	50	40	KKGB	
CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341785	KLIQZBJUGMPPDR-QGZVFWFLSA-N	984.445	15.212	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(C)cc2)cc1Br	150462920	ZRBCRTNECJRPFP-VTNSRFBWSA-N	643.991	6.173	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	150600483	MHLSGAYSFCJSFC-IHMSYIQPSA-N	656.527	6.492	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	162477966	JUQIHWQTEBFAAT-MWBNBJEGSA-N	717.038	6.361	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164740259	WSGXLKJUUMSQMA-WMZJFQQLSA-N	643.002	5.212	50	40	KKGB	
CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(C)n2)cc1	408537954	INGADEPEQQQFDD-QRQIAZFYSA-N	528.516	7.384	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539396	HBPWBFOMIBBUBG-WGOQTCKBSA-N	522.557	6.834	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCC	408551854	GPBPLDCHACEDHA-OQLLNIDSSA-N	547.418	5.446	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552114	OJYQSRSKODGSMB-ULTCEKQJSA-N	633.248	6.955	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408552939	LUWLDTCIKGJUND-DHDCSXOGSA-N	535.214	6.863	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408553337	OBEWRWAXUNVXAJ-PDGQHHTCSA-N	524.360	5.343	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1nc2ccccc2[nH]1	408554102	ZEBJHOBYFYIYNF-VGOFMYFVSA-N	532.214	7.258	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OCC)c1OCc1ccc(I)cc1	408569981	RIGFXUGPIOOSFV-BKUYFWCQSA-N	579.413	7.077	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccccc1[N+](=O)[O-]	408598436	AJFACNOWUXRBOL-NSKAYECMSA-N	696.066	6.454	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCc1ccccc1	408599772	ZKYNUWHJBGEMRX-JAIQZWGSSA-N	515.778	6.986	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(I)cc1	408605889	NHTZBDAFHZLEJG-WOJGMQOQSA-N	647.254	6.814	50	40	KKGB	
O=C(NNc1cc(Br)ccc1OCc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	408608249	OVKITMZYWARTCP-MRXNPFEDSA-N	532.797	5.317	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408608762	INODCAQAVZRIET-WKULSOCRSA-N	542.861	5.895	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408638159	CBOYLWPXPJPMBP-NLJKLAEJSA-N	714.065	6.806	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408649394	XYXFNMACJKUJQZ-XPGKHFPBSA-N	727.362	5.285	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3Cl)cc2Br)cc1	408746316	RSTPNZSMEMEBKE-WQRHYEAKSA-N	527.802	6.244	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1cccc(C)c1	408747198	KJLMLZGUAHEWON-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc2ccccc12	408747434	NWLDYQRDFORCLC-JCMHNJIXSA-N	513.391	6.736	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408750039	WPVBIIVGCOBSHP-STBIYBPSSA-N	567.461	5.841	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OCc1cccc2ccccc12	408752056	BNDVNNHDJRIYHX-JBHZFQRDSA-N	652.611	6.342	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccccc1	408758558	MMTNSERTJUOYFB-ODLFYWEKSA-N	556.254	6.735	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccccc1I	408764371	MMYBMHRIMFKEKY-PTNGSMBKSA-N	654.236	5.275	50	40	KKGB	
COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)ccc1OCc1ccc(I)cc1	408768833	KALQIZAFNHMDLV-XRBPWRCLSA-N	575.410	5.087	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1ccc(Br)cc1	408771590	HLYRNNFHCWWUJQ-YSURURNPSA-N	570.079	5.851	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408789297	IOYUCFHLHIZNOJ-DEDYPNTBSA-N	550.365	5.659	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408789723	RSOYMRSHYKNESX-YBFXNURJSA-N	511.361	6.215	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)c1	408793664	GAJXBAAZUFXTFE-VXLYETTFSA-N	666.151	7.558	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1c(C)ccc2ccccc12	408795387	CBPHLXYEFUHIOE-OEAKJJBVSA-N	636.917	8.238	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OCC	408828379	MRCBLIUSRMVYBN-FDAWAROLSA-N	563.598	5.239	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1	408836513	SATJOMWKGBFERF-PCLIKHOPSA-N	632.352	8.224	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(I)cc1	408841877	IJDWPSBMAQAUFC-ROPCREHHSA-N	680.490	7.181	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(Br)cc1	408844715	CVRJSRMLVNKHQE-LRIZEKIPSA-N	634.574	8.295	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	408844938	XFSXYHIAUQOSGM-HNSNBQBZSA-N	593.149	6.109	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Br)cc1	408852167	IYEUBXQLZKQUFO-QJOVZPHJSA-N	673.405	8.329	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1Cc1ccccc1Cl	408868409	QBAAGRPEAZBUCO-RGVLZGJSSA-N	556.831	6.707	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccccc1Cl	408877285	UEOAZMSOXRGVFM-IURWMYGYSA-N	621.930	6.829	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OCc1cccc2ccccc12	408888374	UXPLVXCRNBFAIU-HZHRSRAPSA-N	523.545	6.280	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2OC)cc1	408890055	NCLNBLKIKRJZQM-LDADJPATSA-N	600.263	6.302	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408892379	ZABQFNWWCSYLFC-LFIBNONCSA-N	526.730	5.776	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12	408914368	WMIKYLJAJDRSMK-IAEWTUJKSA-N	517.029	5.459	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(OCC)c2)c(OC)c1	408923676	JZOOHGCVIICKPJ-AHKFIOAWSA-N	720.577	5.027	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2C)c(OC)c1	408925930	UZCAYQZOPFIDJP-VXLYETTFSA-N	507.930	5.699	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1	408926752	YDCOUYAEYCUJJW-NNLKUIAGSA-N	651.773	8.035	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2O)cc(I)c1OCc1ccccc1Cl	408950885	HUMGNUBKWRWWSK-ROTLSHHCSA-N	536.753	5.002	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408964650	XMXDSXZWBQEHLH-PDDOKTDDSA-N	709.421	5.742	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OCC)c1OCc1ccc(I)cc1	408968138	UKGNYHSBNUAWAI-WCMJOSRZSA-N	583.401	5.772	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408998318	PXMVRHIKGPBMRL-FABQOPTDSA-N	590.463	6.936	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409022628	DJHTZQMDTUDTFP-LPEPFOFCSA-N	558.849	6.702	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	409025069	LEXIEFYKMXIGDI-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	409026888	DSPZWNNGWHFLLZ-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12)c1nc2ccccc2o1	409056052	KOFYPXRVDUGAJN-UDWIEESQSA-N	560.245	8.149	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409057071	TUWSERWODHNIRF-VULFUBBASA-N	522.479	5.057	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(C(=O)O)cc1	409070491	YMBDHMNUYSUOOW-LPYMAVHISA-N	513.506	5.155	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1	409074166	YJJZYRSNGRFNAY-LFIBNONCSA-N	551.340	5.781	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409079336	AUHQXPONZKDXOL-MUXKCCDJSA-N	583.253	6.269	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409143566	MSEHZTKRMKZRJN-MUFRIFMGSA-N	567.023	5.471	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1	409155885	RIBKQAVVYDPEIR-WCMJOSRZSA-N	568.482	7.049	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409164823	OHHZEAMEMMEXHC-AMVVHIIESA-N	648.885	5.066	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	409176731	WBVWHZSSFDNVLZ-NUEHVLEWSA-N	606.638	5.644	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccccc1	409222721	DRGHGNFRIXHQSU-UHFFFAOYSA-N	507.546	5.321	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409238311	WWJBZRNMGDZUGA-YBEGLDIGSA-N	562.317	6.170	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)ccc1OCc1ccccc1	409249429	IFZZALSEKDKGDE-HQDYHJHZSA-N	592.479	6.753	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)c(OCC(=O)Nc5ccc(C)c(C)c5)c(Cl)c4)cc3)cs2)cc1	409253983	CSNYRXUGSZGTAG-ADJDCTSUSA-N	658.611	8.567	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)ccc1OCc1ccccc1	409259245	YFACRJGFTOZDLI-APTWKGOFSA-N	558.034	6.099	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409269000	CQEAOOYUOGUETE-NHDPSOOVSA-N	596.909	6.990	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409272556	ZXRIGLRPHZWCKF-MHWRWJLKSA-N	605.791	5.655	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCCC)cc1OC	409314721	HCBFIFXDIGENKJ-CFRMEGHHSA-N	528.241	5.562	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCCC)cc1OCC	409322494	LNGMFYZKMZCILF-QFEZKATASA-N	540.252	5.728	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409324292	SAOINVFPQLVQBJ-LQNQUEJISA-N	540.016	5.318	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	409325091	WWNVCJPYRLUVTI-YKQZZPSBSA-N	509.002	6.045	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Cl)c1OCc1ccc(Cl)cc1	409366481	VGFUWBSWIHREEM-FDVSRXAVSA-N	515.393	5.435	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc2c(c1)OCO2	409370670	CBHLPLLBTNJSQI-CCVNUDIWSA-N	503.352	5.674	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409371832	QDUFRXZMBFGXSK-MFOYZWKCSA-N	573.318	5.429	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409373345	HIMUPVHTVSLCRF-MFOYZWKCSA-N	543.248	7.674	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2OC)cc1	409385018	GNJNULAEJVKULW-AEUUOICLSA-N	642.137	7.006	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1ccc(I)cc1	409389903	AXERDVOKTMPTPO-RWPZCVJISA-N	522.390	5.414	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409394765	FPGZYKNHIVHCSS-UHFFFAOYSA-N	763.792	9.414	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409395818	SCMFOCNBXHRYOC-UHFFFAOYSA-N	511.940	6.611	50	40	KKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409402616	KFTMGIVWAZHYSK-IZKGUHRSSA-N	565.026	6.769	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)o2)cc1	409405015	RSVHHFRBLKKGHX-HTVDVWKISA-N	712.384	8.587	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccccc4Cl)c3C)o2)cc1	409406346	BWAGSSRQXMPEDD-OHUYPAJKSA-N	541.051	7.091	50	40	KKGB	
CC1(C)CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1	504124366	ITFBYYCNYVFPKD-SUVSXGDXSA-N	541.736	6.743	50	40	KKGB	
CO[C@@]1(C)O[C@H]2O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O1	1083805668	KJOXQJMJZSWNTR-DFPPRZEMSA-N	572.815	6.810	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	1529548105	XTAKVZKETLGOQJ-RQQSEGDXSA-N	766.512	6.829	50	40	KKGB	
COC(=O)N[C](C(=O)N/C(Cc1ccccc1)=C(/O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C	1560408772	QHVSHUHAUJOZCN-JGCGQSQUSA-N	701.845	5.415	50	40	KKGB	
COc1c(C(C)(C)C)cc(-c2ccccc2[C@@H](CP(c2ccccc2)c2ccccc2)N[S@](=O)C(C)(C)C)cc1C(C)(C)C	1857795218	VXLTVDIYSIOQSB-PVUKSDKOSA-N	627.875	9.183	50	40	KKGB	
Cc1c(Br)cc(NCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1Br	1950211	VTMIEQNDMMECHI-LGJNPRDNSA-N	517.221	5.875	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C1\C(=O)N(CN2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2ccc(Br)cc21	2406677	QOFRCDRFTLFTNL-NFFSQJGMSA-N	523.475	5.096	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3Br)c2-c2ccccc2)cc1	2785336	CRHZXOKGQNGZCB-PPOKSSTKSA-N	564.483	7.736	50	40	KKGB	
CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	3767765	ZLTXHCUNWSWVSC-OVXKETGASA-N	565.457	5.630	50	40	KKGB	
CCOc1ccc(N2C(N)=C(C#N)[C@H](c3cc([N+](=O)[O-])ccc3Cl)C3=C2C[C@H](c2ccccc2)CC3=O)c([N+](=O)[O-])c1	8456024	LFWQREWZJLBDJI-JMQGSBJISA-N	586.004	6.254	50	40	KKGB	
C/C(=N/NC(=O)c1nn(Cc2ccc(Cl)cc2)cc1Br)c1ccc(Br)cc1	8780678	IUOIXSSXYRUAOL-FMCGGJTJSA-N	510.617	5.264	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C(=O)OC)c1C	9459772	PXXFEWKRVDHRIF-PTNGSMBKSA-N	513.597	5.137	50	40	KKGB	
Cc1ccc(NC(=S)NNC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2C)cc1	12584164	VTDIWGHAYQUJBV-UHFFFAOYSA-N	506.600	6.292	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1C	13923046	OGBGDOCKFZBSEV-STBIYBPSSA-N	518.411	5.900	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccc(C)cc1	14186114	NGSJSHOQOAKMBY-ZCTHSVRISA-N	511.647	5.155	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1	19926551	SZXCFHYORMCSAU-JFLMPSFJSA-N	520.438	5.122	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccc(Cl)cc1	20348544	NSRUAVCZZLTRFQ-RUZDIDTESA-N	522.070	6.062	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1ccc(F)cc1	97962883	ALSKBRFWQGXAJU-CPDSRJINSA-N	538.373	5.253	50	40	KKGB	
CC(/C=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)=C\c1ccccc1	97965356	MFBLGMBEFMASBY-PAOLMLCYSA-N	522.461	6.539	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1	98048756	LTQXMNFCWYSKOW-GDLZYMKVSA-N	554.672	5.670	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	100101218	KQZTVIZCNQGCOU-MHZLTWQESA-N	544.702	6.026	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	100126570	FDMYBQPGLPODJZ-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	100161072	VSHDFFGFCDBFDD-YVLHZVERSA-N	567.352	6.174	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(C)cc1	100227533	XNIMNDFEADJQLV-YDZHTSKRSA-N	552.412	5.801	50	40	KKGB	
COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1	100325968	FEIUJMZEUBCGAQ-IPBVOBEMSA-N	528.270	6.485	50	40	KKGB	
CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1	100990784	XFURYMABJNNPLQ-OBKVJGTNSA-N	526.239	5.745	50	40	KKGB	
C/C(=N\NC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1)c1cccc([N+](=O)[O-])c1	101389670	VCYXCJFIVIFQPZ-IBBHUPRXSA-N	550.522	6.230	50	40	KKGB	
C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](C(=O)O)N2	102713226	CNUOJWXPQWZPJF-DNJXAOBQSA-N	530.046	5.360	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342230	YAAPCTUSYWZIPC-UWTATZPHSA-N	842.037	10.293	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795400	XVBHZKDYILCHIB-ZIAGYGMSSA-N	786.208	10.941	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	207385942	UGHCVHMGQQQISP-MOSHPQCFSA-N	521.367	5.671	50	40	KKGB	
N#CC1=C(N)S[C@H](c2cccc(Br)c2)[C@](C#N)(C(N)=S)[C@H]1c1cccc(Br)c1	230295985	NSAOTWDYZLQQJG-SQGPQFPESA-N	534.302	5.273	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1I	408535229	YBOQYYCQGALLKO-KVSWJAHQSA-N	540.327	5.280	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccccc1	408539064	FBEKATZCUZNTIY-IDWIKUEFSA-N	565.069	7.353	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2O)c(C(=O)OCC)c1C	408546652	LGGLAUGABKIUMC-AWNIVKPZSA-N	585.270	5.359	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1	408580337	OOPUFMAEWPQOAY-RGVLZGJSSA-N	540.255	6.910	50	40	KKGB	
O=C(NNc1ccc(OCc2ccccc2Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408603323	GHUPPDVIIIYEBT-MRXNPFEDSA-N	504.801	5.722	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3c(Cl)cccc3Cl)CC2=O)cc1C	408605493	KKKZSSVKRGWJTK-QGZVFWFLSA-N	532.855	6.339	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCc1ccccc1Cl	408609481	JYBDWILVPIKSNR-VFLNYLIXSA-N	505.880	5.035	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408610340	SZXHDTKAARKMHN-LJQANCHMSA-N	542.463	6.030	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	408610653	OTQNPCJJIGWOEK-RWPZCVJISA-N	544.833	5.559	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408637720	AVVLIBVWBWUUFZ-RDGPPVDQSA-N	647.147	5.164	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408648578	WSAIGYDFSVFOMC-NGSHPTGOSA-N	730.322	5.457	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc(I)cc1	408711740	IKAOJMYLNUYHCP-KKMKTNMSSA-N	548.211	6.365	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1	408746479	SWGWDXDQUGENBX-YVLHZVERSA-N	607.217	6.326	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408753331	LZBHCYMFSXUSIN-DHDCSXOGSA-N	548.360	5.224	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1Br	408781381	CSHIJQVUKXOGTN-YVLHZVERSA-N	539.227	6.740	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408791266	VKAXXEWIVMHRDJ-DEDYPNTBSA-N	660.249	6.032	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408812664	NOZRQDNAXLMXDR-YBFXNURJSA-N	556.254	6.653	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	408825276	JKXVOXPNFSJMIW-KGENOOAVSA-N	614.334	7.524	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	408829279	PAXMFHFVHLGTTQ-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OCC	408831640	ZYGQKCCLVDTAFG-HZHRSRAPSA-N	505.014	6.961	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)c3c(C)nc4sccn34)o2)Cc2ccc(Cl)cc2Cl)cc1	408832149	RIWMPNOWUHSTPM-CPDSRJINSA-N	616.552	6.067	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408834941	WHEQBBLQBXIIRX-LPYMAVHISA-N	598.313	9.004	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1ccco1	408837937	AUFJVDCORWTFRN-MHDJOFBISA-N	622.486	7.435	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)Cc3ccccc3)cc2)cc1	408840509	ZAULDJOSLXWAAP-BIZUNTBRSA-N	570.443	5.922	50	40	KKGB	
CC/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(OC)c(OC)c1	408842565	QLQNMYQIAIQBAC-HFLXXRRDSA-N	503.624	5.022	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1	408862886	NIOHALZJENECJI-OIYVWTTASA-N	544.789	5.762	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408871413	ZLVLTHXOCNJGJQ-KEIPNQJHSA-N	606.144	6.226	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2cc(C)cc(C)c2)cc1OC	408878105	ZSUSAYRUYYEUNA-SEBMTOOBSA-N	637.758	6.398	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Br)c(OCC)c2)cc1	408882616	RFGGVQCCRAGJHU-DEDYPNTBSA-N	555.856	7.025	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Br	408890266	QNUTVENGOKRKTM-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1cc(C)cc(C)c1	408892564	CNVUDWDOLBELRA-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OS(=O)(=O)c1ccccc1	408895019	KDKJKVPMDQZUSM-MTDXEUNCSA-N	568.449	5.170	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408895156	MGUKUBUNMXTWDE-RQZCQDPDSA-N	591.245	7.187	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cccc(Br)c1	408897100	VQFVRAYONAMAEX-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(C)C	408969411	NGXHSOWEWLKUIU-WKHNNYMVSA-N	600.543	6.072	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1	408995351	BPACAXYBYYNNOU-MUFRIFMGSA-N	562.376	5.286	50	40	KKGB	
Cc1cccc(CN(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)S(=O)(=O)c2ccc(Cl)cc2)c1	409005710	KDROAWZULZBJKR-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409013829	WDJRNLUNJKWOSV-JRZNSJKLSA-N	601.747	7.027	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(Br)c4)c3C)cc2)S(C)(=O)=O)cc1	409025914	AHLMIWGHSYONMT-FDAWAROLSA-N	593.547	5.895	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccc(F)cc1	409038386	ORZBHASQSLPMQI-KVAAJVFYSA-N	587.076	7.698	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)c1C	409046199	JDADNAXPYOVEIX-VXLYETTFSA-N	558.245	7.092	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1Cl	409054832	VRYABHZUNCYMSI-XODNFHPESA-N	536.253	6.806	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)cc(Br)c1OCc1ccc(Cl)cc1Cl	409079992	HIDQHTJCTUZTSQ-NSKAYECMSA-N	569.195	5.721	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409115106	IKXVFTDBEWWJGJ-KVAAJVFYSA-N	700.557	5.582	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409118658	OXWOUTRUARFEMX-RWPZCVJISA-N	577.932	5.131	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	409186016	VCBKREXGICIPIX-RDRPBHBLSA-N	586.508	5.067	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	409200178	HHOFCVRKIXRRIN-AMVVHIIESA-N	712.778	7.524	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1ccc(Cl)cc1	409223548	IJHDCPJRSSUHTO-AVSYKEHUSA-N	582.059	6.460	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)c2)c1	409224584	MOFZKAMBQHUXKJ-UHFFFAOYSA-N	537.572	5.248	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1	409225326	MVRWRTFVGINOMS-WOJGMQOQSA-N	510.377	5.874	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409226390	NMBBNHBTMCSVLE-SXGWCWSVSA-N	592.343	6.179	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409248459	GQWCRUUGBDYMQP-WOJGMQOQSA-N	512.349	6.382	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	409252423	RUDOLUXHUZTMPZ-RRAHZORUSA-N	524.064	6.983	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1	409262346	GYFMFRREMPPCCY-GLYGWYKASA-N	512.393	5.084	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)c1	409268458	ZZRLEFIBMCOCQC-XKZIYDEJSA-N	532.438	6.246	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	409309282	DVMWJLPVYNHZLI-GXBUFBABSA-N	650.513	7.011	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccccc1F	409311122	DLGWSSLGPMTKHM-HQDYHJHZSA-N	607.476	6.917	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC	409328095	YYAGOLBOJHGVGV-NUJZUDFISA-N	637.858	5.142	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409365703	WBCJNZRWIFQWLF-BOPFTXTBSA-N	619.818	6.046	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)n1	409382857	WREOUPHAZJNBOD-CAOOACKPSA-N	549.650	6.505	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1cccc(F)c1	409391189	HWKTZSYOIZZRNI-ZDLGFXPLSA-N	534.166	6.836	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)cc1OCC	409394424	AGKAGKMMQQUEFU-UHFFFAOYSA-N	799.900	8.811	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409395501	OIYLTKVHIDIKOJ-UHFFFAOYSA-N	774.647	8.488	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409395720	QXVMEFHVTOBFRC-UHFFFAOYSA-N	631.324	7.651	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC(C)=O)c(OC)c4)c(OC)c3)[nH]c12	409397106	GGOAQSMMWULWNI-UHFFFAOYSA-N	605.647	6.323	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccccc1Cl	409398274	SCXWDHVOASJSQB-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409399211	YJPRLTSUYSDVTE-UHFFFAOYSA-N	691.376	7.750	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)o2)cc1	409400121	BMQSEJIHZLUWPU-QMRORBIVSA-N	633.488	7.824	50	40	KKGB	
CC(=O)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409403399	MPIMKBMBRDNRFT-CPDSRJINSA-N	584.854	6.371	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1O[C@H](C)CC	409403876	OJJZILPCNVYIBU-RUOBCELRSA-N	569.702	7.335	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(OC)c1	1529547972	TVTXCNALUCTOBI-MWKDUONYSA-N	685.572	5.061	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1cccc(Br)c1	2741953	JBTDNGHDZLXCRG-LXISSDBLSA-N	585.531	6.426	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)cc2)c(Br)c1	3233026	MOCIFUOZNCFSBN-AUEPDCJTSA-N	537.164	5.364	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C(/C)c1ccc(Br)cc1	8399035	HFJMHHUEXBGDRU-YSMPRRRNSA-N	533.883	5.125	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)NN=C3CCCCCCCCCCC3)cc2)S(C)(=O)=O)cc1C	8406677	UFXOZOPCVDSICX-UHFFFAOYSA-N	511.732	6.660	50	40	KKGB	
COc1ccccc1OCc1cccc(C(=O)N/N=C(/C)c2ccc(OCc3ccc(C(=O)O)o3)cc2)c1	8815643	QWZKRMVIUYTHRX-FSGOGVSDSA-N	514.534	5.298	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc(Cl)cc1Cl	20761112	HMJQRYUNGRBMAR-XODNFHPESA-N	515.238	6.831	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(F)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	32577030	GHLFIRKVDTVYGZ-MUXKCCDJSA-N	506.628	5.016	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2-c2ccccc2)cc1	97961013	OFRPLZSYKBYUHR-DUJXHPOHSA-N	619.721	7.374	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126199	GDEVEYBBCBGOSI-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1	101089295	JCFOHOPESRZEHY-UBXJNSBZSA-N	559.018	5.764	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(F)cc1	102230305	IHEICOGHKDEOTD-LICLKQGHSA-N	573.318	5.472	50	40	KKGB	
CCCCN(CCCC)S(=O)(=O)c1ccc2c(c1)C(=NNC(N)=O)c1cc(S(=O)(=O)N(CCCC)CCCC)ccc1-2	102415274	KQXZWHCLKSDHGQ-UHFFFAOYSA-N	619.854	5.270	50	40	KKGB	
C[C@H]1[C@H](c2ccccc2)N1P(I)(c1ccccc1)(c1ccccc1)c1ccccc1	104127949	KDYIGQMLDMMTBN-ZKJGBGOKSA-N	521.382	6.227	50	40	KKGB	
CC(C)=CC[PH](CCCCCC[PH](CC=C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	104214953	ZSZOMQBBDDIWCB-UHFFFAOYSA-N	594.804	9.281	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	150385584	NVWAYLSNUMCGKU-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	209605825	QKDVEOSVVRKIER-FDVSRXAVSA-N	646.266	6.700	50	40	KKGB	
COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@H]2CCC[C@H]2[C@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1C	211060483	GWUJDUKNOAFEOH-UEQQSRGXSA-N	638.813	9.294	50	40	KKGB	
O=C(Nc1nnc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@H]3Br)s1)c1cccc(C(F)(F)F)c1	255004037	KZQUGOZMDNOEQK-DSLXNQLJSA-N	569.472	5.938	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Cl)ccc1OCc1ccccc1	408539787	JRXAKPNRDINUPN-AFUMVMLFSA-N	573.476	8.014	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552930	SMKOOPGKNFZWCB-ULPWCQAASA-N	599.696	6.589	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	408570855	ZKARFYMWFYMRCV-WYMPLXKRSA-N	503.989	5.516	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408587114	QHIPJZGYXMJHMH-NVMNQCDNSA-N	548.220	7.706	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408645152	HMJFIOMRCYBDHF-HHSISDEYSA-N	673.185	5.409	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408646229	ILFSFPHFLIZIML-PTGATOOUSA-N	783.684	6.884	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1cccs1	408661568	XJAVEGCGXJZPCE-VNUXUXBQSA-N	635.161	5.073	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408676759	NFJAVGQGJHKBFP-WCMJOSRZSA-N	638.333	6.940	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1	408718222	CHXWKNNJVJCFQW-JFLMPSFJSA-N	508.372	5.089	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1	408743083	DMMVLDKUSHODOQ-GRSHGNNSSA-N	551.393	5.710	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)c1	408746100	XGMZANZADVVOTP-ZDLGFXPLSA-N	652.124	7.249	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(F)cc1	408746321	YJKLEWOXABSDHA-ODLFYWEKSA-N	542.348	5.872	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(I)c2)cc1	408747080	ZFAWTGMLQHZULO-PDGQHHTCSA-N	544.776	6.078	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Cl)c1	408748643	BMTWDTHTSFCETB-CAQPMQTCSA-N	519.428	6.267	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1	408749035	KJPLAOJQWMOXOQ-DHRITJCHSA-N	582.270	5.060	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1	408756252	PLSCVMIJZNZEQD-KGENOOAVSA-N	505.368	5.750	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(C)cc1	408760676	CWJPSVYLBMDOAI-UYRXBGFRSA-N	539.407	5.274	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408771694	AZQOMMLSWWQDBH-GRSHGNNSSA-N	528.244	6.375	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408788510	KNQZGBUBACMMLR-VCHYOVAHSA-N	573.774	6.286	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408791387	WXHVFWVCLJVNAT-VXLYETTFSA-N	515.824	7.342	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408792713	BNNIWSNAONNNFY-DJKKODMXSA-N	515.824	7.397	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408793015	CSALACXXUSNOFF-PCLIKHOPSA-N	573.476	8.096	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408798109	UWLLBEVWLSDTES-FYJGNVAPSA-N	565.420	5.524	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408798226	VEPTUVGPSNCEKL-FRKPEAEDSA-N	615.138	8.586	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408799345	YPXFLUDQIXUKIY-YBFXNURJSA-N	560.275	7.588	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408799350	YSPNZNYGOAVDPO-WSDLNYQXSA-N	734.215	9.064	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1cccc(Cl)c1	408803050	KSTRVTJRVIUECX-QGMBQPNBSA-N	593.248	7.040	50	40	KKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C	408809068	HFQGVZCRWAHEME-VQNDASPWSA-N	500.646	7.187	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408825098	AFHFPAPAYDEXCH-IMRQLAEWSA-N	553.684	6.450	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Br)cc(Br)c1OCc1ccccc1	408826786	DBBRMLKOZQGHDA-UVHMKAGCSA-N	578.326	6.183	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408828269	LKCJKBPLRQAFRW-FMFFXOCNSA-N	572.731	5.764	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408838354	DQYXCCDPDAMYDM-XJECJHNESA-N	601.103	8.006	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408840440	BHLFJXSNADIHBY-IRWBXMRWSA-N	768.454	9.329	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1cccc(NC(=O)c2ccccc2)c1	408843229	SDFPUUMTMWYQOJ-JBFMKSPFSA-N	651.188	7.450	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408844168	BHSGXSJUGUVPRB-QJOVZPHJSA-N	638.518	7.265	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(C)c1OCc1ccc(Cl)cc1Cl	408849150	VFWCYQPOKSDKAU-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408862525	ZSYLKNCUIIICBK-QNVXDBMFSA-N	725.876	7.727	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)ccc1OCc1ccccc1	408863684	PZVPVNWUKXWABJ-KEIPNQJHSA-N	519.645	5.987	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(Cc2ccccc2Br)ccc2ccccc12	408873559	RZYMSIHJFHHKNK-CJLVFECKSA-N	515.838	7.701	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408875668	LATWMFHHJOMJOZ-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Br)c(Br)c1	408878354	ACGXIJJNQRDDGT-UDWIEESQSA-N	510.229	6.657	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408878358	AWJXGPWUOITURZ-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	408879531	GUPYNCHKXRWQIA-HPNXWYHWSA-N	656.520	6.808	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1cccc2ccccc12	408887480	QZIAYYYHNMZVSP-CPNJWEJPSA-N	527.920	6.175	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1	408890222	PWRWSVDSUKFEHL-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1cccc2ccccc12	408904591	LWOBGWUITAGWJM-FJEPWZHXSA-N	574.387	6.608	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Br)cc1	408939605	BAPCVQFYLXOBPN-WJOKGBTCSA-N	707.647	5.650	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1F	408961419	CBXRTYIWQSMVTN-XKJRVUDJSA-N	525.296	5.959	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc2ccccc2c1	408963316	ZCNNQDOPXGINFP-WCMJOSRZSA-N	635.414	6.840	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc(C(F)(F)F)c1	408965970	YCUAKRCJBUTCFT-WXMAUWIXSA-N	625.066	7.880	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	408971063	HAMBKOAPEUAGRM-VOWJQMTESA-N	522.045	5.287	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc(I)c1OCc1ccc(Cl)cc1	408973671	OCMCZLLJTBJIGK-GESPGMLMSA-N	607.861	5.191	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	408989803	IXTNVTHZSHHLBQ-PDMJPFHGSA-N	644.134	7.234	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1	408994239	YKMUDFCCQSVBPR-XXKTWSNVSA-N	617.709	5.237	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	408998691	BSYWGAFUFHMUJP-ZOBAKAOSSA-N	563.610	5.729	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2Cl)Cc2ccc(Br)cc2)cc1	409011963	IEPHRMASDXJHJO-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1ccc(I)cc1	409022087	IXJXRKVHGIEPGN-BVMLUPFRSA-N	660.306	6.109	50	40	KKGB	
CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	409031671	HYBSBYNPIIDXFH-OCSSWDANSA-N	535.069	7.159	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(C#N)cc1	409048406	WLWNTJXQOFXBEE-XZYGTATASA-N	638.465	6.730	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1	409048946	VDHGLKLYKPTJPZ-VCHYOVAHSA-N	571.225	6.553	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)NC(=O)C[C@H]1c1cccs1	409123684	HKMCUAZAWGLBNK-LLVKDONJSA-N	516.364	5.240	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C	409152697	GACNZUXEVFQJSP-ROPCREHHSA-N	676.939	5.169	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(C(=O)O)cc4)c(OCC)c3)cc2c1	409188086	WWZHBRZLJOUKKL-MNDYBZJGSA-N	628.419	5.876	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)NC1CCCC1	409190155	LPJHHWIPUCNTSL-SXGWCWSVSA-N	522.212	5.895	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br)Nc1ccc(F)cc1	409195119	RKDBCUPPLFZJCQ-RPPGKUMJSA-N	504.743	5.023	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1I	409209429	GXDYIQRNZGFLDA-ZVBGSRNCSA-N	600.647	5.190	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(C)=O	409226748	SKQYXMPTQOMWJH-ACXHZZMFSA-N	575.961	5.102	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)NCCCc1ccccc1	409242292	QIVNEESZJCIJSP-MTJSOVHGSA-N	666.272	6.270	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2SSc2ccccc2NC(=O)c2ccc(OC)c(Br)c2)cc1Br	409265109	SHEDAFCDCCZSND-UHFFFAOYSA-N	674.436	8.533	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1OC	409301797	GKAQSDSYVLKLOW-CPDSRJINSA-N	594.340	6.506	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)NC(=O)[C@H]2C(=O)OC)cc1Cl	409306220	ZBUHGPMEMZWERV-SFTDATJTSA-N	646.869	5.630	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409317896	WNSOVDRNZRPKFJ-CNCDYAKUSA-N	687.409	6.971	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)ccc1OC	409318527	WESSAXDHSYYXCU-MUXKCCDJSA-N	592.284	5.970	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)cc1OC	409320274	ANTYJGIAVCBZSU-QDTIIGTASA-N	596.703	6.615	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)ccc1OCc1ccccc1	409323568	OJDRBLVXZZNIMG-FZPRHHONSA-N	565.453	6.933	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1cccc2ccccc12	409325479	YVTGQHSTBYVCMG-WKULSOCRSA-N	568.265	6.716	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OCC	409327870	XJBHOOHOSFGAMC-MBTHVWNTSA-N	658.898	5.282	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	409366840	ZFIRPOACRYYMLC-KKMKTNMSSA-N	645.666	5.690	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2OC)ccc1OCc1ccccc1	409369913	HLXWAXZKQPXXRX-FZKWRIDDSA-N	632.511	6.217	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371045	ABPCTKUKYRNVCK-GRSHGNNSSA-N	526.286	5.541	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409372104	FMRJSTUJQWNJKG-BCHBDCPOSA-N	571.642	6.589	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)c1	409395161	KMOGHYVLKQFZHX-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)c1	409395380	MYBIUMMVMTYSIV-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409396807	BKXVWHGVRKSSDW-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1	409403430	MWCOGANTHKVTFQ-UHFFFAOYSA-N	628.523	7.380	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1	409403831	OGDGSQRPSMGYBC-RODHXAHZSA-N	663.514	7.833	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)o2)cc1	409403932	OQFSKEURWAZLSX-HQDYHJHZSA-N	690.494	7.122	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1O[C@H](C)C(=O)O	409404688	QPRZMOAYQGVVBV-GYDRZMFUSA-N	657.461	5.495	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC(=O)Nc1ccc(Cl)cc1	409405751	VAOXZFWZIUXSDW-BOABNOFISA-N	681.189	7.828	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Br)c3)o2)cc1	409406492	WXDYFGKJHQGLRP-RODHXAHZSA-N	650.932	8.164	50	40	KKGB	
CN([C@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C	1857795134	OGGSROVWKWCEQW-KKMSLZIYSA-N	595.833	8.277	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	1067134	AFNARGLWOBDUBE-HHHXNRCGSA-N	528.703	6.380	50	40	KKGB	
Cc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c(C)n1-c1ccc(F)cc1	3234625	WQUTWQPYCZGIAF-QLQYKETESA-N	547.630	7.155	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Cl)cc1)N2	6445794	NCAUWHCQRGJPCQ-LVTPPWGZSA-N	515.418	6.985	50	40	KKGB	
COc1cc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)ccc1O	13941002	XBPCQQFQWDLDBY-OGLMXYFKSA-N	522.030	5.243	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccc(Cl)cc1	33772770	OBRPADMUSKZQNK-WGARJPEWSA-N	501.764	5.484	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl	59192782	MLVWYOKOSHAQGI-FLLGMRGPSA-N	611.098	5.945	50	40	KKGB	
COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2cccc3ccccc23)c1	59417199	HNEOFIIVKCQYMU-FJEPWZHXSA-N	509.440	6.332	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3Cl)c2C)cc1	59427429	FCZFWKOHVAZGQH-KBVAKVRCSA-N	517.029	6.096	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)cc1OC	59853283	YIWCPFOYASFTMW-FADJLKOXSA-N	609.704	5.782	50	40	KKGB	
O=C(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	97950181	WOYIFHMPPIEDLF-UHFFFAOYSA-N	508.978	5.620	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1	97960704	MUMIUAIOBLNXMM-SZXQPVLSSA-N	588.505	8.518	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)ccc1OCc1ccc(Cl)cc1	98045566	VREPLLZQHMHZGD-AJTFRIOCSA-N	548.039	5.185	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(I)c1	100065228	GZEFSIHCFRPVIJ-JVWAILMASA-N	616.308	5.642	50	40	KKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3cc(I)cc(I)c3OC(C)C)nc2c1	100087763	VQISQSIAOCAUKZ-VGOFMYFVSA-N	569.184	5.932	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(-c4ccccc4)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852220	RNHFSQATPICZDT-QHDYCIAZSA-N	559.739	7.450	50	40	KKGB	
CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528076	DUVMOWIYGIOIKQ-MRVPVSSYSA-N	608.167	8.525	50	40	KKGB	
Cc1cc(N/N=C/c2ccc(N(CCCl)CCCl)cc2)nc(N/N=C\c2ccc(N(CCCl)CCCl)cc2)n1	104385414	IKZNUVGTINPNJM-LFMVBXFPSA-N	610.421	6.245	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1	105586071	MESYSWODHQBISP-AJBULDERSA-N	543.645	5.172	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc([N+](=O)[O-])cc5)(c5ccccc54)[C@@H]3C2=O)cc1	112254996	PSDBJVRDEVCGPS-PRFPDIJGSA-N	614.658	5.279	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341796	RUVGQMKKVSGKLP-SFHVURJKSA-N	798.444	13.061	50	40	KKGB	
FC(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342168	UCDPIKGIZABTSH-REOHCLBHSA-N	642.009	7.752	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1	150383025	FYAJQOMDRFWIIU-QSMNKHRESA-N	642.568	7.980	50	40	KKGB	
CCN(CCCl)c1ccc(/C=C/c2ccc3c4ccc(/C=C/c5ccc(N(CC)CCCl)cc5C)[n+](C)c4ccc3[n+]2C)c(C)c1	150419096	MESYFVBZQCRGMO-UHFFFAOYSA-N	653.742	8.730	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCc1ccccc1Cl	216043103	DWQLAVFWPAAMBA-MUXKCCDJSA-N	562.835	5.842	50	40	KKGB	
O=C(Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2)NNC(=S)Nc1ccccc1	245229198	QEBFEUMRSIGSBS-UWEUENHESA-N	557.166	5.233	50	40	KKGB	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21)N1CCOCC1	245232183	QCEZKCHLIFIBQP-YWAOTASRSA-N	595.077	6.014	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2Br)ccc1OCc1ccccc1	408538361	LNQYEPSNIQQWLO-RODHXAHZSA-N	721.471	8.574	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(Br)cc1	408541772	HOTZJZCNWIXCAE-NVMNQCDNSA-N	633.236	5.885	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(C#N)c1C	408547185	UBIMITSILYLSJA-YVLHZVERSA-N	552.033	6.536	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cccc(OCC(=O)Nc5ccc(Cl)c(Cl)c5)c4)cc3)cs2)cc1	408552608	RMFUJJBRQLDLNO-QMRORBIVSA-N	630.557	7.950	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1Br)Nc1ccc(Cl)c(Cl)c1	408553356	VIZFNXHEVBOSEX-NNOOIMGWSA-N	668.091	7.319	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCC(=O)Nc1ccccc1	408566901	BKAXLIUVVNHXAW-YVLHZVERSA-N	535.373	5.945	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)CC2=O)cc1	408606038	LCIBTTKRMGOKON-GOSISDBHSA-N	544.435	5.476	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408641602	CSYQAGLXGHXRAO-ZBWQPJPKSA-N	533.839	5.262	50	40	KKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408691827	SKXKUUYEWCRHQN-GRSHGNNSSA-N	566.355	5.744	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)c1	408745647	OATZFJUYSNTQGZ-LSCVHKIXSA-N	694.263	6.148	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408746434	ZFGFFOYFTKWFTK-YVLHZVERSA-N	530.191	6.475	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)NCc1ccccc1	408747215	KOYKFHTYJGWAHP-GRSHGNNSSA-N	516.222	6.558	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408747932	VWMSLIHQRWUEKD-YVLHZVERSA-N	576.672	6.998	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)ccc1OCc1ccccc1	408751640	AWMIQDTXVFEIKC-UYRXBGFRSA-N	510.331	5.424	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(Br)cc1	408758571	MVTACXXQWOHTME-ZDLGFXPLSA-N	635.150	7.497	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408787728	FKUGKKHSGGEECX-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793949	HETSDELLUCXBKA-KOEQRZSOSA-N	539.429	7.153	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408794360	IVYBNIJDGMYWRZ-LFVJCYFKSA-N	531.008	6.378	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408796443	OFPAWPJOQQXICO-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408815091	UGIWJWGFGJJIKO-XLNRJJMWSA-N	514.651	5.053	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1	408820561	WZFLUENXBKAAPA-UWVJOHFNSA-N	694.263	5.435	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408826912	LGYFLMVHWIGVQP-OKCVXOCRSA-N	572.470	5.750	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc(C)cc1	408834520	WJTSPTSTKOSTBI-MTDXEUNCSA-N	518.613	7.016	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccccc3)cc2)cc(OC)c1OC	408838085	BZOTTZIGBDPCPH-DPNNOFEESA-N	632.467	5.710	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1	408839908	DEMGKINQNHBPTN-ALQBTCKLSA-N	635.142	5.329	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408841416	JYEYDRLUZMEQFS-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1cccc(C(=O)O)c1	408846836	RMMZVENLHPZRDR-KPGMTVGESA-N	570.074	7.077	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Br)cc1	408854631	AKMRJIITZMTSLS-MUXKCCDJSA-N	572.253	6.699	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1Cl	408855072	DCFAYUUPPXXRDM-NBCFERAOSA-N	569.514	5.608	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cccc(Cl)c2)cc1	408864724	ZJFFMVVIEUJJIJ-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)Cc2ccccc2)cc1OC	408866361	GZSQVFJYTTVVFB-FZPRHHONSA-N	629.566	5.759	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Br)ccc3ccccc23)cc1Cl	408868337	MBLMXRTYLWPTKQ-PXLXIMEGSA-N	515.838	7.701	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1Cc1cc(C)cc(C)c1	408869832	UKVCVCYZDMQVQZ-KEBDBYFISA-N	558.303	7.908	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1OC(=O)c1ccccc1	408890362	RVVIJTIHCLSRRV-QGOAFFKASA-N	524.314	5.065	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1Cl	408890496	URNRRQDCLPZIAI-VCHYOVAHSA-N	535.349	7.536	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)ccc1Br	408904144	FLPAQOJRRYDPSX-BCHBDCPOSA-N	675.013	7.780	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(Cl)cc1	408904910	QGYTXWMXCLESCA-ZMFRSBBQSA-N	502.796	6.154	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F	408921764	BVSROYNRWYUQSC-VCHYOVAHSA-N	570.371	6.028	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)c1	408925506	UIMIFYQFIISGOG-CLAOXVRQSA-N	750.430	6.072	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	408938866	AKAIBHNRPPRKQS-RUZDIDTESA-N	587.485	5.138	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408950445	KHLKBGQNBZQIHN-BKUYFWCQSA-N	534.841	6.429	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc2n1Cc1ccccc1Cl	408992091	RZOIWDRVHYAXRL-NQDGKPANSA-N	569.065	5.362	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409002959	QKAHLIIWIYMARF-MHDJOFBISA-N	641.305	7.000	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1	409006604	PXXPBDYCNGVSTO-ODRKGGDJSA-N	530.580	5.997	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(C(C)(C)C)cc1	409042087	BICUUVOSQSXQIS-ZXSNDDASSA-N	500.646	7.371	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Cl	409070469	YCDJPXZVMMMHTD-XNTDXEJSSA-N	507.782	5.960	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cc(Br)ccc1O	409092545	VIQUEPNKUYJEQH-NSKAYECMSA-N	695.064	5.846	50	40	KKGB	
CC(C)C[C@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409156168	SQZCBFDSEONOFC-ZKDYBNPGSA-N	608.906	6.445	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1cccc(Br)c1	409188024	WKGVWVDWZABFJJ-ZDLGFXPLSA-N	548.072	7.617	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1cccc(F)c1	409193716	LOMLLNNTVGBYPF-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	409219370	MASWDTKMXJKDAU-WOJGMQOQSA-N	524.802	5.974	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1	409224575	MNHDCSPARQXHEO-RUDTZHBPSA-N	513.775	5.494	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccc(Br)cc1	409229465	PJSOOPSGDFDUCO-KBKYJPHKSA-N	641.329	5.291	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	409243343	VTPJZQPGMBDTIA-SOSVVEOHSA-N	510.037	7.111	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409250571	MZUPSUNXYLYJNQ-DYIJOPRGSA-N	556.446	5.483	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409258336	WKMWBFYXYQIOOA-XDHOZWIPSA-N	568.855	6.373	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409259473	ZNZUBEJJARVGPN-LUOAPIJWSA-N	688.114	5.866	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409259515	AAMIFBQVHPWCEZ-GZTJUZNOSA-N	570.827	5.770	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	409261154	AQHIKCPLBIHBEG-NVNXTCNLSA-N	634.668	6.336	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409262399	IKJOXZVAFNAZEP-YBFXNURJSA-N	599.400	5.619	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br	409265412	IDTVZYWMRGGZAY-ZRGSRPPYSA-N	590.228	5.210	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)ccc1OCc1ccccc1	409310721	BMMURSWRLMKRAP-OHUYPAJKSA-N	549.454	7.314	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1OC	409312334	KNYZHEAOVXDHRM-ZMFRSBBQSA-N	544.904	5.129	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1OCC	409312889	OETQMHROBOUNRL-MWLSYYOVSA-N	545.861	6.633	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1OCC	409320452	BMBWMAQBBDQZIE-RHANQZHGSA-N	507.974	5.085	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccccc1	409368466	XDYNBJMXCDTFGG-UUYOSTAYSA-N	506.343	6.205	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409372535	DXANWPSBVPIRGL-ODLFYWEKSA-N	533.382	6.584	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCc1ccc(Cl)cc1Cl	409383974	SKLKCIIQPAGKAE-GIJQJNRQSA-N	639.367	8.842	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409384089	AIMYIHMDDNZQTG-WQRHYEAKSA-N	584.854	6.073	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)c1	409394446	AMRWOBZNYWZNCX-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396710	AIPGSJYNHHCPAM-UHFFFAOYSA-N	568.973	6.388	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cccc4c3-c3ccccc3Cl)cc2OC)c1	409396729	ANASLNPTXFLBBO-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(C)cc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409396978	DOERFFYVERXCJF-UHFFFAOYSA-N	591.620	6.069	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397831	OMNZTNWRQAUWHD-UHFFFAOYSA-N	607.588	7.999	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3)o2)cc1	409400051	BDFNFBAWVCUXQP-AEUUOICLSA-N	588.491	7.916	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1Oc1ccc([N+](=O)[O-])cn1	409400198	BZYGFTPNDMGBCZ-QMRORBIVSA-N	674.508	7.287	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)o2)cc1	409405252	SHAXMWXSZBFMBL-HTVDVWKISA-N	667.933	8.477	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1	2220844	IPUKQWDDESHUND-SJUMRLIPSA-N	502.039	6.276	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)cc1OC	4062660	BAENQVSEDQZCFU-MUFRIFMGSA-N	563.477	6.654	50	40	KKGB	
CC[C@H](Nc1cccc(Br)c1)C(=O)N/N=C\c1ccccc1OCc1ccc(Br)cc1	8398301	KYNDUKCXDXQFSU-CHVMBPBASA-N	545.275	6.131	50	40	KKGB	
COc1cc(OC)cc([C@@H]2C(C#N)=C(N)OC(CSc3nc4c(cc3C#N)CCCCC4)=C2C(=O)OC(C)C)c1	8451197	PTUMVTDHAWPWND-AREMUKBSSA-N	560.676	5.045	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3CC)=C(C#N)[C@H]2c2ccco2)cc1	12250166	FEIHMHSYBUWHML-NDEPHWFRSA-N	526.662	6.111	50	40	KKGB	
CC[C@H](C(=O)c1ccc(Br)cc1)[C@H]1[C@H](C(=O)NN=C2c3ccccc3-c3ccccc32)C(=O)OC1(C)C	98008026	QQYBXONNHLASCK-OWAUWMPXSA-N	559.460	5.775	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1	98048755	LTQXMNFCWYSKOW-LJAQVGFWSA-N	554.672	5.670	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(Br)c4)c3C)cc2)S(C)(=O)=O)cc1C	100119809	KGCNWMHHSWXYAP-KCSSXMTESA-N	607.574	6.204	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1	100129392	CLVIDKJYWDSAKS-LJUMEUDFSA-N	613.965	5.851	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	100176637	MPDKHALSFOYRHK-KPGMTVGESA-N	530.411	6.191	50	40	KKGB	
COc1ccc(CC(=O)N/N=C2\C(=O)N(CN(Cc3ccccc3)Cc3ccccc3)c3ccc(Br)cc32)cc1OC	100306617	DHGCIWZTSZPNOT-HIELXXDYSA-N	627.539	5.536	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)cc1	100346164	VOPLJHKLZNZXEV-MNBJERMJSA-N	609.546	5.206	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc4ccccc34)NC3=C2C(=O)CCC3)ccc1O	100836740	KATXMINTSTVMRP-MHZLTWQESA-N	511.603	5.355	50	40	KKGB	
O=C(N/N=C\c1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1)c1ccc(Br)cc1	101065622	XGTWTSMPIZVMQE-YKQZZPSBSA-N	543.373	5.651	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc1OC	101341790	XUZUELZOXVLTHQ-CAPFRKAQSA-N	533.675	7.749	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1	101666457	CFHVXIMJMZIXMC-OCSSWDANSA-N	540.889	6.044	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3OCC)C3=C(O)CCCC3=N2)cc1	102873492	YTSMWSPHELPBQA-SANMLTNESA-N	503.624	6.125	50	40	KKGB	
CN(C)N(P(N)(Cl)(c1ccccc1)c1ccccc1)P(N)(Cl)(c1ccccc1)c1ccccc1	104094936	OPUSJCLZQVTMFB-UHFFFAOYSA-N	531.408	5.059	50	40	KKGB	
CCCCCCCC[C@H](Br)[C@H](Br)CCCCCCCC(=O)N(CCCC)CCCC	104109937	XAYLSPSUENQNBV-LOSJGSFVSA-N	553.508	9.424	50	40	KKGB	
C[C@@]12CCC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)COc3ccc(N(CCCl)CCCl)cc3)CC[C@H]12	104118650	MMEUDKGOHJDRKZ-KDCNCXCGSA-N	565.582	5.782	50	40	KKGB	
C[n+]1c(/C=C\c2ccc(/C=N\NC(=O)c3ccc(C(=O)N/N=C/c4ccc(/C=C\c5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21	150423039	MBLBEBVYTSCMFS-WLOJVHLUSA-P	684.804	5.710	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	157866743	PUTCGGLWUZMHBQ-ZDLGFXPLSA-N	695.251	6.327	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br	408538416	MOXZKKIHXJSKBF-QGOAFFKASA-N	568.737	8.150	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2OC)ccc1OCc1ccccc1	408539919	ZYCZMTHMMXKRLQ-QQXSKIMKSA-N	579.609	6.706	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3cc(Br)c(OCc4ccccc4F)c(Br)c3)[nH]c2cc1C	408544635	WBWQUUNEIOJTTG-GIJQJNRQSA-N	555.245	7.487	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408547891	ANZXAPXOWJIHIR-FMCGGJTJSA-N	562.363	7.004	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550674	GGAVHBCLQUUUTD-VWDPFFEDSA-N	666.221	6.407	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408568320	IYIZFPPDLURMKP-IPPBACCNSA-N	607.979	6.698	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Cl)c3)CC2=O)cc1	408601430	AWYSYMMAILNIFP-SFHVURJKSA-N	514.409	5.467	50	40	KKGB	
O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)O[C@H](CCCl)C(=O)c1ccc(Cl)cc1	408666550	VCMOJBKFLZPGMH-KUBUVLAUSA-N	617.312	5.657	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	408672960	PQEMEIITEBONKI-VPUSJEBWSA-N	642.289	7.698	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	408711966	SSGBJSXRLGZENU-MZFJOGFUSA-N	561.476	6.672	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccccc1Cl	408726001	NXQIEBXLAFGLNL-CIAFOILYSA-N	572.830	6.146	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1)S(=O)(=O)c1ccccc1	408729232	YNOPZINTEMOTRH-UHFFFAOYSA-N	594.221	8.434	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744547	FXXVGLNNFZPCFB-SXGWCWSVSA-N	719.542	7.436	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)NCc1ccccc1	408747826	UHSLQIKDKLLCDG-OCKHKDLRSA-N	591.218	5.995	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc2ccccc2c1	408751632	ASVBHLVULCZVQX-WGOQTCKBSA-N	533.425	7.880	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2Br)cc1	408761630	ACMKNMDJUFVEPL-NVNXTCNLSA-N	645.156	7.140	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408764967	OGKZFCBUMQBABZ-SXGWCWSVSA-N	643.286	6.228	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408777946	MTOCIRIIEVYKAT-NDENLUEZSA-N	603.344	7.735	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(I)cc1	408782536	ICGGGCICACKITH-OKCVXOCRSA-N	649.860	6.008	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1C#N	408787662	DGMWRAHBKBKRSB-RGVLZGJSSA-N	583.813	6.340	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408792551	KSTWFFMGQIMBSI-VCHYOVAHSA-N	501.797	7.170	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br	408798730	WWDKEELZZMWURC-MKMNVTDBSA-N	556.638	5.661	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1cccc(C)c1	408798963	XLKFCAJAFRCVCG-WPWMEQJKSA-N	597.509	7.860	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(I)cc1	408799415	YZOSFZNQXWOZNL-WOJGMQOQSA-N	555.328	5.333	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Br)c1OCc1ccc(Br)cc1	408802214	YMVQJQWPSBJVTB-LNUOPCRJSA-N	576.329	6.791	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(I)c2)cc1	408807735	FAUWVLMWXPNACB-NDENLUEZSA-N	542.348	5.241	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408818137	NCWBIYHFNSXDDX-SCVJCBIPSA-N	604.538	6.921	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408818668	YJPVZUHBHUPBTO-GKVNEZTPSA-N	649.545	8.195	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408822448	BWAAWRGNJXSMPN-LGUFXXKBSA-N	579.483	8.850	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)NCc1ccccc1	408829329	NPCMZRYZVSRTHT-ULJHMMPZSA-N	546.048	5.547	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCc1ccc(Br)cc1	408834257	VNLKCLMGGOJZNQ-GIJQJNRQSA-N	650.751	7.406	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1	408836660	UCASRXFTCHGGJD-YBFXNURJSA-N	537.956	5.789	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1	408837926	ASOVZEXPZJLDRC-KVAAJVFYSA-N	618.498	7.452	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408838308	USNWMGFEOMJXAD-KVSWJAHQSA-N	568.320	6.727	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1Cl	408842154	MWZMWJFPLIDPHW-JLHYYAGUSA-N	504.757	6.706	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC	408858724	OSRFXWIOOAXNHJ-KBVAKVRCSA-N	646.560	5.002	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1Cc1ccccc1Cl	408869855	SBLMNMRQXJOFOT-WOJGMQOQSA-N	574.700	7.400	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	408870578	TWPWMJNHSLDUTN-WKULSOCRSA-N	564.491	5.196	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408875028	HSFABIFUHILMFN-PCLIKHOPSA-N	541.420	7.304	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2ccc(C)c(C)c2)cc1	408878841	CHORAZUEBVBPCY-OXALXDSDSA-N	612.752	5.214	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	408889658	IOGGUZSEFSKRHC-LGJNPRDNSA-N	556.463	5.529	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408891188	MRZDJEBOHYMXRM-OCSSWDANSA-N	502.954	5.884	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC(=O)c1ccccc1	408895437	KMPCIOUIQOWPJF-GZTJUZNOSA-N	560.231	6.919	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	408933559	BICGHBWQTSIGHQ-RQSOKRQSSA-N	571.209	5.750	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408958647	ZSPJZLFGXSKMGP-ILBQVMEMSA-N	846.300	6.668	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc(C)cc1	408961261	LWXWOKSTTIKAFT-CCVNUDIWSA-N	552.381	6.154	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C#N	408969013	FUZNTDIORXMBSY-HGYYVOHRSA-N	659.570	6.488	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1	408974537	ZOJDAKNGCHHKAP-CFWTXEOSSA-N	584.298	5.107	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1cccc(F)c1	408977076	CTTWUEXAJQOGBF-WJAYPVQZSA-N	525.580	5.425	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I	408985247	WAABYJOVANLXOI-NSIKDUERSA-N	650.638	5.345	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408986651	CSRWEDZNAPPBFX-LPYMAVHISA-N	555.889	8.207	50	40	KKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)COc2ccc(Br)cc2Br)cc1Cl	409013713	NPVIDBZYEKYJQR-MOQVIFSHSA-N	518.633	5.571	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1ccc(C)cc1	409015240	ZALBFGKRDQLXGF-XKJRVUDJSA-N	698.149	7.222	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cc2cc(Br)cc(I)c2o1	409019556	ZRHLQADPJLRNLI-VYVUJPJFSA-N	678.535	8.103	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)c([N+](=O)[O-])c1	409039736	RYEDMRCQCOKBMW-YDDOSXMHSA-N	625.468	6.177	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(I)c1OCc1ccc(Cl)cc1Cl	409041992	WSFKAZBTAGSEAR-KVSWJAHQSA-N	584.241	5.922	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1	409114828	LKCQKBIYBOXSLL-HQDYHJHZSA-N	630.513	7.706	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409138778	HWNKBRUNLAVJQT-NRFANRHFSA-N	550.236	6.158	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c2ccc(F)cc2)cc1OC	409139619	ONPQVSVZZHDCAG-FABQOPTDSA-N	642.105	5.430	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409177924	DVCJRAXQMCZJNG-VYVUJPJFSA-N	536.799	5.525	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NC3CCCC3)cc2Br)c1	409189259	OAXUSJIYBITJFV-ZDLGFXPLSA-N	518.249	6.065	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409189779	IRAPJIQYHAAVPI-BRJLIKDPSA-N	565.751	5.204	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409202697	SYTYMTZMRPXQKT-XKJRVUDJSA-N	649.765	7.472	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccccc1	409226695	RHORXPDKOKZVSG-UHFFFAOYSA-N	562.409	6.237	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1I	409241217	SDNWWOAFGUWAAZ-PDGQHHTCSA-N	598.222	5.117	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409244298	AUELOMDHONKXDK-UQEONJGVSA-N	535.471	7.484	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409251997	BACJXLQGGHHRDU-VCHYOVAHSA-N	542.394	6.403	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)c1	409256432	OQIBSLUCEBNAFE-NVJOKUIPSA-N	638.154	6.372	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)ccc1OCc1ccccc1	409273226	WFVAFOIYVYDYON-WBIBEUCMSA-N	636.532	7.151	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409302210	IAPCAXQWDJQRAZ-OHUYPAJKSA-N	673.969	6.620	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1OCC	409315801	JVWGZNORRFXXSR-QRQIAZFYSA-N	547.029	5.068	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC	409317563	VLGODYSPCZNIJK-MUXKCCDJSA-N	503.433	5.577	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OC	409318053	UQWPXTANDOXOID-MUXKCCDJSA-N	516.381	5.182	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1OC	409326973	PHRMXEBYNKIAOX-MUXKCCDJSA-N	576.285	6.270	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409372185	TVJKVFKNFVSPAP-UNOMPAQXSA-N	556.375	6.219	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)c1	409395341	MLSJKYXPUWMMMV-UHFFFAOYSA-N	726.219	8.114	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396517	VBRVLLHPIILNIF-UHFFFAOYSA-N	681.370	8.295	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397420	JQYRHFDVOOIQDK-UHFFFAOYSA-N	643.481	7.130	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397630	MDDTUDAJJYOWLS-UHFFFAOYSA-N	635.935	7.853	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1cccc(F)c1	409401197	GTXPSQGNRUVUGY-KOKCXWAISA-N	660.540	7.909	50	40	KKGB	
CCOC(=O)COc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409402222	JEQZOGWWWYABGV-KYHGBAKBSA-N	604.616	5.279	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409402285	JPQWKTMGDDSKLW-ACXHZZMFSA-N	582.882	7.011	50	40	KKGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409403496	NFLRMWBTWMFSOZ-FDVSRXAVSA-N	581.423	6.099	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccccc3)o2)cc1	409408618	KESQQACSZKITJD-APTWKGOFSA-N	578.581	6.157	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCc1ccccc1Cl	1529549386	XMPGDEPAHACJLE-LAXCASJBSA-N	627.550	5.457	50	40	KKGB	
BrCc1ccc(-c2nc(-c3ccc(CBr)cc3)nc(-c3ccc(CBr)cc3)n2)cc1	1848350115	IOJQCIAKNZPJAN-UHFFFAOYSA-N	588.141	7.557	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccc(Cl)cc1	2697523	BHJVQAAFSYNEKR-MZJWZYIUSA-N	509.056	5.222	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	3088465	AXZNBOJSAIHCLF-FDAWAROLSA-N	593.061	5.481	50	40	KKGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1)c1ccccc1Br	3115383	LXRMVQAGAQLFNS-GIQGSQORSA-N	539.429	6.125	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)C1C=C(c2ccc(Br)cc2)OC(c2ccc(Br)cc2)=C1	3145401	BDNPQNHZLUJXTJ-UHFFFAOYSA-N	592.267	8.007	50	40	KKGB	biogenic
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196229	FJKVAUVJYIWJAD-ATZGPIRCSA-N	614.323	6.730	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1NS(=O)(=O)c1cccs1	6147253	CRZSLOQVJDYYCH-WGOQTCKBSA-N	533.660	5.227	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1cccc2ccccc12	13614745	CPLUOYRXOOBCAF-WJTQWYFCSA-N	521.455	6.466	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)[C@@H](Cc2ccccc2C)c2ccccc2)cc1	16157909	QMMKMAVMENQWDK-GRDXZWITSA-N	512.631	5.548	50	40	KKGB	
CCOc1ccccc1/C=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1	31870563	ZPDZZAQTHIRXJM-FSGOGVSDSA-N	513.667	5.873	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl	33353967	PRGKSVYNUNGUMJ-SGIRGMQISA-N	656.933	6.708	50	40	KKGB	
CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1	38651506	CFDGOJVZCKAUOV-DEOSSOPVSA-N	505.368	5.674	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCCCCCCCC2)cc1	59444012	JACTXYJIJSUKLE-UHFFFAOYSA-N	527.731	5.706	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccccc1[N+](=O)[O-]	97939457	KZRDDAWHSIJMBR-ZMFRSBBQSA-N	527.393	5.392	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	97939493	DVFQQEVZWQVTKZ-RHANQZHGSA-N	528.638	5.691	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N/N=C/c1cc2ccccc2nc1Cl	97962729	YHHVYIXIXHUXDK-ODNPBWNPSA-N	577.471	7.953	50	40	KKGB	
COc1ccccc1C(=O)Nc1c(C(=O)N/N=C/c2cc(Br)ccc2O)sc2nc(C)cc(C)c12	98008439	ACTOLPFXFFOSKU-KKMKTNMSSA-N	553.438	5.406	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	100124219	JDRZJFLNYTUIBZ-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	100128912	JTVBNILHEQQCQC-OKCVXOCRSA-N	556.475	5.142	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303678	OJPNRFIEJYUVEG-FMFFXOCNSA-N	587.698	5.245	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852062	NWSVFFLMWQKFEX-ICUTVXMZSA-N	605.764	7.062	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	101558665	YRXNUVHMQPWRGM-HHHXNRCGSA-N	564.494	6.805	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(I)c1OCc1ccccc1C	102932999	NIXDXONMDOLNCW-YBFXNURJSA-N	592.355	6.752	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(C)c(C)c2)cc1	103895035	IDPRIONYHIKARV-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2cc(C)cc(C)c2)cc1	103902816	UIKQDYANQWDIRR-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342034	IOLXDWANIRDRGL-REOHCLBHSA-N	942.051	11.564	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccc(CN(Cc4ccccc4)S(=O)(=O)c4ccc(Cl)cc4)cc3)c3ccccc3n2)cc1	150415897	NXLROAOPPGERGR-UHFFFAOYSA-N	675.210	7.330	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCC[C@@H](I)CC(F)(F)F	169795318	JVCGYJHSVPVMOO-DTORHVGOSA-N	516.045	6.449	50	40	KKGB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@]2(C[C@@H](Br)Cc1ccccc1)[C@]1(C[C@H](Br)Cc2ccccc2)C(=O)[C@]2(C)CC[C@H]1C2(C)C	245239034	DSLHNLQYIWSSJN-MVRNQOEKSA-N	696.608	9.802	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OCc1ccccc1	408538597	AETZZGLIJIUPGW-OVVQPSECSA-N	506.558	7.216	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OCC	408539539	XDNZNNJNLZCUTQ-KQWNVCNZSA-N	527.503	7.750	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(F)cc1	408553306	NRTNQDRIWUXLTL-VCHYOVAHSA-N	613.452	6.376	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(Cl)c1	408555216	WLSDDODZHQKZIC-OHUIHDMLSA-N	544.744	6.447	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408654528	QTCXTYCVGIUVJQ-MCBCHBBLSA-N	551.829	5.401	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408726942	WTQOYBKPSYARLE-IUXPMGMMSA-N	638.245	7.030	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408745938	BBTBXOVSCFMDNX-KYHGBAKBSA-N	720.199	6.781	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408748359	CLNFSMWOGUUPSY-LGJNPRDNSA-N	653.545	5.228	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12	408754640	LAESYNCQUNLTMG-PDCOQUBPSA-N	699.611	6.184	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408762235	AHMRNGMZXJCLSM-CPNJWEJPSA-N	618.449	5.320	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408776063	TUWCVOLDAOGOFF-BKUYFWCQSA-N	552.368	5.676	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1ccccc1	408777914	LWDSLJHLQLGNLT-QDTIIGTASA-N	556.258	5.696	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408791136	UOWXXVUFDHJTKS-LZYBPNLTSA-N	766.542	7.278	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(C)c(C)c1	408794720	BFURHJJRPMLMNN-ZMOGYAJESA-N	580.466	7.048	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)c(C)c1	408798588	VVWYLHLCJAQZBZ-VXLYETTFSA-N	760.151	7.242	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(C)c(C)c1	408799710	HTPDOBJONLMMQS-UFFVCSGVSA-N	539.857	7.161	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccccc1F	408813175	PUXVNOFGXTYKEH-NDENLUEZSA-N	627.251	7.471	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccccc4)c(Cl)c3)cc2)cc1	408825387	JRJOUACWKHNYMX-YZSQISJMSA-N	509.005	7.352	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc(F)c3)cc2Br)cc1	408825940	SCYSBCULGGTWGN-JAIQZWGSSA-N	525.374	5.408	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(Br)cc2)cc1	408827668	FTKJAKPDVUWANB-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408827935	LDRSBFXSGMCHDR-RDRPBHBLSA-N	603.118	8.822	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2cc(Cl)ccc2C)cc1	408832511	XJADVXMWYVQFFC-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2I)c1	408841353	IINYHYQOOGFQBK-IIHBXENTSA-N	729.360	7.853	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408855712	CPYXQZKMRVMWMY-YQCHCMBFSA-N	568.699	5.600	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OS(=O)(=O)c1ccc(C)cc1	408885103	XLTHTFDPNPYTLO-CPNJWEJPSA-N	634.346	6.541	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1	408885447	ACKYGWFOWXPIDH-RPPGKUMJSA-N	516.431	6.065	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408886430	HHKHGPPSFJPWMT-RQZCQDPDSA-N	519.292	6.732	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl	408888678	YUVBUJNIRGRCCD-VIZOYTHASA-N	615.536	8.296	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)cc(C(C)(C)C)c1O	408891195	MVYFEBVKNXNDFN-FABQOPTDSA-N	555.546	7.956	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Br)cc1	408893137	FRYJBWNVTIUVNT-DEDYPNTBSA-N	584.264	6.513	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408896134	PFHHRSMJNIDOCD-OGLMXYFKSA-N	658.536	8.010	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408897157	WIUNSMPFCRGCRF-LDADJPATSA-N	566.238	7.674	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	408900523	VTGUSTGSKARYIE-LZYBPNLTSA-N	575.202	6.737	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c([N+](=O)[O-])c1	408900824	XSCPFIRMBJSTHZ-CXUHLZMHSA-N	562.387	5.532	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408942803	ROXBVXSVZQZHGC-FABQOPTDSA-N	626.562	6.231	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1	408951446	UBHWPLCVZUTBPX-GDLZYMKVSA-N	671.603	5.856	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccc(C)cc1	408953151	OWMLFWQUOQUXIQ-PKAZHMFMSA-N	505.618	6.058	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCc1ccccc1Cl	408954937	NTHWNVIIJONAAX-TXFJQYODSA-N	647.128	5.376	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408965331	KGDSCJLAHLQGLO-VFLNYLIXSA-N	554.918	5.314	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c(F)c1	408968275	VCYMTJWZSFXSDA-IPBVOBEMSA-N	610.075	6.328	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc(Br)c1	408970419	HPMASVYWAYPGIC-UKNSCQFZSA-N	529.262	5.204	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c2ccccc2)cc1	408978539	JAMAJPSEDQEUNX-BZCOGROQSA-N	779.438	6.343	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5)cc4s3)c([N+](=O)[O-])c2)cc1Cl	408988257	DBLDFWFIMCEPIB-FYJGNVAPSA-N	626.119	8.116	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cccc(I)c3)cc2I)cc1	409001573	WPKBHQYHKMOUIK-KBKYJPHKSA-N	752.084	5.542	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	409018344	URECCSDMMQMBAE-OGTVHZSVSA-N	561.422	5.610	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1	409019968	LDMCZOREQMZBMS-ZKYNYRTFSA-N	601.659	6.283	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409091350	STWLMHKTNHIBBC-OQLLNIDSSA-N	566.319	7.657	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	409146184	RZCVIRFJALTIKG-WCMJOSRZSA-N	681.383	6.351	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl	409152867	KELZJEFGDQRXDH-MHDJOFBISA-N	585.488	5.300	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)C(C)C)cc1	409218275	DYPHCEGRKOLIJA-NUJZUDFISA-N	528.392	5.580	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccccc4)c(OC)c3)c2)cc1	409219675	OYZVRONIOVPAGZ-CGCKZLLTSA-N	549.583	5.339	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c2)c1	409224376	JPSPDWCMKZODQO-UHFFFAOYSA-N	556.416	5.993	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(C(=O)O)c1	409229850	ALIVXXXQUIZTFG-GRSHGNNSSA-N	636.364	6.532	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1OCc1ccccc1Cl	409233661	HCDTZFOCQOYHLY-DIBXZPPDSA-N	515.053	6.702	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1	409235667	CTLSHHNLZFYEBS-IWEBCOIVSA-N	513.794	6.605	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccc(F)cc1	409242169	NETLTNYXNGPKCG-MUXKCCDJSA-N	503.343	5.398	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409242688	XPZWARHADLVSCG-JLPGSUDCSA-N	623.491	5.672	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)c(OCC(=O)Nc5ccccc5C)c(Br)c4)cc3)cs2)cc1	409255487	KYIXYUHLNFCIAJ-RODHXAHZSA-N	733.486	8.477	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2C)cc1	409255602	MJADREHIWJBKRL-MOSHPQCFSA-N	534.410	5.638	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)cc1C	409269044	DFQHHMJAGHTTMX-VCHYOVAHSA-N	617.725	7.045	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccccc4OCC(=O)Nc4ccc(Cl)cc4)cc3)cs2)cc1	409269207	HBDSJAPGVDEURS-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2Cl)cc1	409269404	IVTDHVGCFGFRHO-QGOAFFKASA-N	510.377	5.955	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409270930	SACMVWZILZNJMZ-YSYOEVFLSA-N	786.479	8.645	50	40	KKGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C)=C2C#N)cc1Cl	409316030	KIIOWSRGUZIJRA-OAHLLOKOSA-N	520.836	5.130	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1OC	409372898	SGNQMAFYVVIRTO-NUJZUDFISA-N	629.360	5.504	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	409374995	CSJAXOUKGXDRQP-KULFSUQXSA-N	721.033	7.768	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(Br)cc1	409385307	JFQSUWGJQXXFGY-KKMKTNMSSA-N	666.291	6.528	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)cc1	409394643	DEHMCLIXJSWDHY-UHFFFAOYSA-N	756.245	8.123	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409395183	KTBNXBMNOLMESZ-UHFFFAOYSA-N	669.732	8.136	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4ccc5c(c4)OCO5)c(I)c3)o2)cc1	409400130	BOKAQFWVUWTPNC-HTVDVWKISA-N	815.402	7.547	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4)c4ccccc34)o2)cc1	409400510	DNJZECZWBRXQAQ-IDWIKUEFSA-N	556.666	7.341	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409403210	MDVKWIFDVWNVNZ-VHFSBPNMSA-N	656.095	6.918	50	40	KKGB	
FC(F)(F)[C@H](Br)COP(OC[C@@H](Br)C(F)(F)F)OC[C@@H](Br)C(F)(F)F	1083812457	DAGQJRFNRBCFAT-HSUXUTPPSA-N	606.836	6.241	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)c1	1778080	BPUCEEQMWSQXKI-RWPZCVJISA-N	522.030	5.156	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)ccc3F)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1885709	GLTQTVOFMNEALG-WCMJOSRZSA-N	580.527	6.684	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OCc4ccccc4)c3)nc3ccccc3c2=O)cc1	1897227	PJWGQLQCRXOHPI-BIZUNTBRSA-N	550.640	5.216	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	2277155	NPUHFBXGQDRZKS-DEDYPNTBSA-N	523.452	7.023	50	40	KKGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1Cl	2309782	UDHBEMMWYHNWMS-PMACEKPBSA-N	504.395	5.252	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1c(Cl)cccc1Cl	2705819	YRPIYPLYSBSFGP-KKMKTNMSSA-N	562.276	5.697	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	2945977	BJQXNSRSRZIRPW-IPBVOBEMSA-N	572.670	6.526	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccccc1Br	3102501	FJOPURJVWUWDKI-KKMKTNMSSA-N	596.659	5.622	50	40	KKGB	
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1	4179226	HRYPILXPBHYOQT-WKOLOUIMSA-N	541.239	5.914	50	40	KKGB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	6200013	ZCCSNSYOSRAWJG-HZHRSRAPSA-N	593.536	7.364	50	40	KKGB	
CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)N/N=C\c2ccco2)c(Br)c1	12362581	MFFAGUOIHSLLPQ-MYKKPKGFSA-N	514.258	6.048	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	13527943	BEJDTQFDIKXBNE-LDADJPATSA-N	506.484	6.062	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1cccc(Cl)c1	16804977	PSQCRKDGHVWNAH-MZJWZYIUSA-N	509.056	5.222	50	40	KKGB	
CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccc3ccccc3c2)c2ccccc21	46084989	ZOAJINCDQMTLAP-NMSHJFGGSA-N	521.617	5.855	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1	59857546	ZEJOXIFIWYKHQF-QNKGDIEWSA-N	551.668	6.046	50	40	KKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1	97961714	ZPHMKAKUOCCSQK-OPLXADLCSA-N	553.453	6.028	50	40	KKGB	
O=C(N/N=C/C(Br)=C\c1ccccc1)c1ccc(N/N=C/C(Br)=C/c2ccccc2)cc1	97980816	MGXLIYUMFUEWQF-RHPQZDDJSA-N	552.270	6.672	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C)ccc3C)NC(C)=C2C(=O)Nc2ccccc2)cc1	97999444	XDPQWJGEHSSULW-SSEXGKCCSA-N	552.700	6.409	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3c(C)cccc3CC)=C(C)N2)cc1	98048899	VZXQIODLOUPPFW-NDEPHWFRSA-N	540.689	6.419	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(Br)cc1	100063376	XTTVJUIVDRVFET-WGOQTCKBSA-N	534.863	5.223	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl	100122136	LHAVQMOHNJYZMW-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1OC	100853166	NXDFWGIMECBKGT-MNBJERMJSA-N	543.693	5.800	50	40	KKGB	
Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)OC(=O)[C@H]23)cc1	101025685	OJACJWCOYYNTTI-XCKBAEDBSA-N	510.589	6.002	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccc(Cl)cc1)N2	101147838	NCAUWHCQRGJPCQ-KAVIJBJXSA-N	515.418	6.985	50	40	KKGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1ccc(OCc3ccccc3Cl)c(OC)c1)C(C#N)=C(N)O2	101444328	RJGUNLUWLZBIIM-MUUNZHRXSA-N	563.098	5.348	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1C	103900985	BIVCQKJCEQKGLM-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1ccc(NC(=O)CC(=O)N/N=C(/C)c2cc3cc(/N=N\c4ccccc4Cl)ccc3oc2=O)cc1	104290456	JOMLHMWSUULDLS-VEGUYYCRSA-N	531.956	5.739	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)[C@H](c3ccc(F)cc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)[C@@H]2c1ccc(F)cc1	150410773	OSBNGANCHOLRCB-KYJUHHDHSA-N	654.808	8.177	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	150490622	CMQOERPONMTRSZ-KPGMTVGESA-N	644.537	5.972	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cc(Cl)cc(Cl)c2)cc1	162448335	CAXAGLUDDHOUAK-ROPCREHHSA-N	638.404	7.362	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(I)cc1	164703734	XYGOKPWRSLITHM-JCMHNJIXSA-N	705.334	5.739	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540917	WXZKKEORDUOXNJ-GXBUFBABSA-N	603.513	6.707	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)[nH]c2cc1C	408541924	FWCQNGLONUHOAA-GIJQJNRQSA-N	571.700	8.001	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)c(C(=O)OCC)c1C	408546414	JBIJKUOOWXIJGS-RIYZIHGNSA-N	591.425	6.604	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc2ccccc2c1	408547964	BCCOFAAGMLFOFT-JJFYIABZSA-N	647.681	8.346	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1cccc(C(=O)O)c1	408569966	RGWDTTNLSQMBCM-NVMNQCDNSA-N	536.357	6.205	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408646196	TXAUGTIZSGGHNU-NCYKPQTJSA-N	743.257	6.436	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408655241	GQJOUGZDRMVMBU-MWIANEHASA-N	673.185	5.687	50	40	KKGB	
O=C1[C@H]2[C@H](C(=O)N1CC(=O)N(c1ccccc1)c1ccc3ccccc3c1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408672547	NSMBIJIWEOCWFB-HITKPJKISA-N	582.292	5.282	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408727018	XSBBHHOBPWYDFC-JMIUGGIZSA-N	574.302	7.896	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)ccc1I	408746206	CFGWDTAVEQJZPI-LUOAPIJWSA-N	662.091	6.307	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1I	408746578	FJJNEXABIVRMRJ-IPBVOBEMSA-N	664.121	6.721	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1[N+](=O)[O-]	408751940	AODCERCKUAWYGP-CCVNUDIWSA-N	583.236	6.616	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408794865	JJRDJNNBZRHBRN-LZYBPNLTSA-N	522.215	7.433	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795467	LGVUPTJGODHKET-VIZOYTHASA-N	599.081	7.782	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc2ccccc2c1	408799226	YOUVQXIJHDCHPP-CVKSISIWSA-N	511.021	7.633	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408806799	BUIRNUCKFSQEGZ-PPDIBHTLSA-N	593.190	6.282	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408829408	NXIUFKFHXDSKAY-DEDYPNTBSA-N	645.291	6.752	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(Br)cc4)cc3)cc2)cc1	408833995	KTMHJIPIKFXXNK-NLRVBDNBSA-N	553.456	7.461	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12	408834560	WMUTXZQWVNBVSD-CVKSISIWSA-N	643.954	9.512	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1	408839546	UHORONXFFAOTES-ODNPBWNPSA-N	642.133	7.506	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408840277	ADYHPURCFIIBFN-IRWBXMRWSA-N	716.872	9.628	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(Br)cc1OCc1ccc(F)cc1	408847059	MDTVFCRKHIRMED-YDZHTSKRSA-N	545.408	7.265	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1	408857395	MJUARGNWERAKOG-MNDYBZJGSA-N	611.290	6.205	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)Nc1ccc(F)cc1	408862976	OAJDBJDSGPGDGC-JHGCKGDJSA-N	582.657	5.381	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(C)cc2C)cc1	408864345	UKROHCJWALOLFH-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3Cl)c(OC)c2)cc1	408870124	VBQJQDZAKZCUPR-UDWIEESQSA-N	600.840	6.266	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Cc1ccccc1Br	408878826	CDCUQFXEGUFXEX-LICLKQGHSA-N	544.218	6.496	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc(I)c1	408882297	OKIYDPKBBJFOGX-WOJGMQOQSA-N	514.750	6.069	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408888719	ZOZHARJNXNGAJE-LDADJPATSA-N	604.422	5.017	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2)cc1	408896486	RKUIVLWOUWKZJW-OQKWZONESA-N	511.559	5.112	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1C	408921537	IPLLXOBHUONKES-AMVVHIIESA-N	537.991	5.630	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1	408925908	UVJHHFSUMZCSOO-IZZDOVSWSA-N	503.254	5.624	50	40	KKGB	
C=CCOc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408972708	QUPLLDYPFGPAPY-YOZSFDKUSA-N	536.456	5.015	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc2n1Cc1ccccc1	409013022	LZGZWKBPGSOXTQ-IPPBACCNSA-N	612.265	6.875	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409023824	RDFNGJASNAFJPI-ACXHZZMFSA-N	532.980	6.255	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2cccc(C)c2C)cc1	409025529	WQRQUYJVGWEYGN-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	409038955	PYDXHKKOTZXQIB-MUFRIFMGSA-N	521.042	6.768	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	409044285	BNUCZRGCOWFKHP-YBFXNURJSA-N	570.237	6.123	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409044395	BUOKPFXBCQIKRS-YBFXNURJSA-N	524.404	6.264	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12	409046599	RSKMEDFTVDYLOS-VIEDFXLDSA-N	580.471	5.889	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccccc1Cl	409047831	NHZYCSOTUFDAGQ-HQDYHJHZSA-N	556.449	7.560	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1ccc(Br)cc1	409073296	GTLPHSQAGNRYQR-BUVRLJJBSA-N	531.450	6.928	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)c1C	409077432	DTBNJZAKUVXZSS-LZYBPNLTSA-N	639.222	8.093	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409077474	FMZVVPNSFCPVHY-RIYZIHGNSA-N	559.298	7.117	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)NCc1ccccc1	409086705	WJLNWBSQIKLKAF-LZYBPNLTSA-N	513.293	5.825	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409148969	VELNMVQULCMLLX-VWLOTQADSA-N	560.909	6.608	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)cc2c1	409186384	BGKZFBGIEFJNKM-FDVSRXAVSA-N	582.407	6.244	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4F)c(I)c3)cc2c1	409187598	SHMQIYSENYDJBH-DBFSUHOCSA-N	637.243	6.681	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1cc(Br)cc(Br)c1O	409188426	ZCIBKCKBFIHMRR-NSKAYECMSA-N	661.970	6.785	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409193079	HTHWTAFUUBFHMS-KVSWJAHQSA-N	512.220	7.042	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409217631	DVHHLCAAWCKUGK-GZTJUZNOSA-N	528.367	6.094	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409219174	KCVPXWZORYUATA-DMPRRNAJSA-N	643.450	6.001	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1	409220716	DVJZELVDFLHHJH-WCEBZYJUSA-N	525.830	6.474	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1cccc(C)c1	409233479	SJPCSLMDLYBTRN-UVHMKAGCSA-N	590.487	5.227	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)cc1Cl	409249873	IYSGRDQQVJZIOB-MFOYZWKCSA-N	569.799	5.882	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)c1	409252911	VHKINRUWQDBCFN-WOJGMQOQSA-N	569.253	6.083	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409266928	LSNANENPKBEKFY-NUJZUDFISA-N	605.860	5.742	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1OCC	409310091	QEXPMYNIDPKKCW-NUJZUDFISA-N	505.373	6.273	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1OCC	409314075	QHTWXDMNXNCIAO-UHBFCERESA-N	557.416	5.903	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC	409322345	KBTSFEZRKZIIFW-RHANQZHGSA-N	539.426	5.764	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c1	409362942	KNLADBZKERRSAX-QDTIIGTASA-N	703.156	6.547	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccccc2Br)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409368670	GZSNVTXVTIVICV-MBTHVWNTSA-N	542.499	5.024	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc(OC)c1OC	409394789	FVWXYNKCKONMRL-UHFFFAOYSA-N	662.924	7.260	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccccc1	409396334	XTDNYFVWVGNIAX-UHFFFAOYSA-N	538.401	6.581	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397216	HMEFBHXWEOWTFO-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc2c(c1)OCO2	409402649	KJVZDWXKLFSGOF-AEVGBRMKSA-N	733.559	7.341	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1	1529547108	ITGMATCDSWQEOF-MKEMXLLOSA-N	734.442	5.815	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	1529547163	JFQPQBQQSPBJJL-MKEMXLLOSA-N	750.897	6.329	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nnc2-c2ccc(Cl)cc2)cc1	1875344	JWKIORNWOUZMIM-IBBHUPRXSA-N	560.001	6.248	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)ccc1O	1876218	FATXGKNATUSLHQ-FDAWAROLSA-N	559.692	5.587	50	40	KKGB	
Cc1ccc(NCc2nnc(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)n2-c2ccccc2)cc1	2096934	VJKDYHROHVVLRR-KBVAKVRCSA-N	522.634	5.289	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)ccc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2696094	MGTDPNSLPMLNIU-OKCVXOCRSA-N	594.535	5.951	50	40	KKGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c1	3201243	MFLYFLAKHTUCFF-GZZLJNBRSA-N	550.684	6.092	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)c1	6015247	QIAXTLOSSRRGFR-VWLOTQADSA-N	516.648	5.463	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Cl)cc1)N2	6445799	WUFJXFLQFQGKDW-LVTPPWGZSA-N	550.489	5.934	50	40	KKGB	
COc1ccc(C(=O)N/N=C(/C)c2ccc(O[C@H]3OCCO[C@@H]3Oc3ccc(/C(C)=N/NC(=O)c4ccc(OC)cc4)cc3)cc2)cc1	96022846	BMCQBEXQNOHVID-XMRYCHLFSA-N	652.704	5.169	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@H]1c1ccc(Cl)cc1	97951890	FLFPNTWKNXCFMO-HHHXNRCGSA-N	548.064	5.751	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1/C=C(/C#N)C(=O)Nc1ccccc1Cl	97981426	WBNXDZRBOVPWSO-SDXDJHTJSA-N	533.813	6.935	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1cccc(Br)c1	100859742	LNADIWNRFXXYMH-DICXZTSXSA-N	541.862	5.378	50	40	KKGB	
Cc1ccc2c(c1)/C(=N\NC(=O)c1c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n13)C(=O)N2C	101031028	MZOKUXXMMVATLB-OZMGXUMRSA-N	538.611	5.423	50	40	KKGB	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc([N+](=O)[O-])cc1)N2	102454478	WZBLEGNQVBQJFL-ZPHQVYNISA-N	581.094	7.024	50	40	KKGB	
CC1(C)CC2=NC(SCC(=O)Nc3cccc(Cl)c3)=C(C#N)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1	102580867	KLBPHZNXPWIEKO-HSZRJFAPSA-N	512.462	7.271	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(SC(F)F)cc2)cc1)C(=O)Nc1nc2ccccc2s1	102954672	SHZTTXFNMLEKGY-GHRIWEEISA-N	536.585	6.174	50	40	KKGB	
CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341299	WDEMRQCEWKUIHS-SSDOTTSWSA-N	794.168	10.676	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)cc1	164739077	VNVDBZVXSKQLCD-MFOYZWKCSA-N	689.118	7.636	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)ccc1I	208214447	QWYLNOXCJCOKMU-UXIIITNFSA-N	505.400	5.094	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)cc2OC)ccc1OCc1ccccc1	408539345	GWJZIODYBUEPQD-FZSDHLTPSA-N	646.740	7.603	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)cc2OC)ccc1OCc1ccccc1	408540023	LVFQZMSHCUWOKC-WBIBEUCMSA-N	578.587	7.035	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC	408541061	XOTJSJKDJZCEQQ-VQNDASPWSA-N	611.577	7.939	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408544013	UIHNFYRTQGHILM-UWVJOHFNSA-N	581.220	5.906	50	40	KKGB	
COc1c(I)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1I	408548998	PBCQTCGAVKUMCA-IUXPMGMMSA-N	537.138	6.122	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550427	DWNSLBCRKPUWTO-OVCLIPMQSA-N	656.691	6.823	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550556	FGBLFTVAYGXUAX-RQZCQDPDSA-N	580.693	7.890	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(F)cc1	408552937	SOBXWFGZJINXKA-VGOFMYFVSA-N	553.204	7.002	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(Cl)cc1	408555157	VXCRNXJLAUZVAL-YBFXNURJSA-N	643.934	7.280	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408641982	LTORVYXDYMGIOJ-BJESRGMDSA-N	816.124	7.137	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408642431	DVJVZVCUSXXATP-GKHGQUPGSA-N	818.129	7.537	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408643200	FUDDXYYVBMXBLF-ONOFCDDISA-N	657.186	5.708	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408664013	YNRWGJKDMPQHBK-ULAMTYHHSA-N	531.823	5.038	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1	408673240	QPHJMWDYSRVWDS-NGEJOHNYSA-N	596.404	6.828	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1cccc(F)c1	408676201	GXLVPABMLRPMBC-OCSSWDANSA-N	587.433	5.772	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccc(I)cc1	408711963	SNUBOEIITFBHGD-LGJNPRDNSA-N	605.217	5.663	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1	408743606	HBXIISAVKODDJF-ZDLGFXPLSA-N	607.673	7.140	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1cccc(C)c1	408745696	OIMMCUYXJBYWEJ-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c1	408746983	XPBPURDLVYIPON-QJOMJCCJSA-N	508.603	7.008	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCc1cccc2ccccc12	408747810	UCKQQNRMWIWSEV-OCSSWDANSA-N	580.422	6.195	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(I)c1OCc1ccccc1	408760874	AMCFBHHNYJYQOX-DEDYPNTBSA-N	554.384	5.823	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408789408	PXINUBMZXCNABX-CXUHLZMHSA-N	748.096	6.331	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408790017	QCAGIWSYBWRQTO-STBIYBPSSA-N	568.415	5.512	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(I)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408791648	AFOCDYIGLLWWIV-UKTHLTGXSA-N	509.130	6.404	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc2ccccc2c1	408791789	CMNILGWYSYVAQL-MFKUBSTISA-N	588.445	7.276	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408793728	QBRNZIDVLJRJNA-YBFXNURJSA-N	712.709	6.851	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408793963	QZFCJOWVKIFAKR-UDWIEESQSA-N	661.290	6.364	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)c(C)c1	408796544	PFTKZMPXPURVIS-UDWIEESQSA-N	542.804	6.686	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccc(F)cc1	408797382	RFWBUVCYGYNLME-UDWIEESQSA-N	553.384	5.898	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I	408797816	TUMZBKJMDDAYCU-CXUHLZMHSA-N	535.179	5.228	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408799518	ZLSSCPPMEGNRFC-LZYBPNLTSA-N	522.215	7.433	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(C)c(C)c1	408815365	QDDQYVNXSIELHS-WSDLNYQXSA-N	552.412	6.350	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(C)c(C)c4)c(Br)c3)cc2)cc1	408822770	MAWLVVHSCNOGQQ-OGLMXYFKSA-N	581.510	8.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408825007	IRSKEUHPYQEPKN-BUVRLJJBSA-N	652.372	8.858	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccc(C)cc1	408827947	IBMLWPZDLUESOV-UZWMFBFFSA-N	586.670	5.390	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(I)cc5)c(I)c4)cc3)cs2)cc1	408839248	PLIJXFIMKBDWFY-KVAAJVFYSA-N	770.434	8.414	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(Sc2ccccc2)o1	408840016	AGGHVKYWFTXWQA-UVHMKAGCSA-N	502.543	6.343	50	40	KKGB	
O=C(NNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408840097	XOBISUYNGLHZPK-UHFFFAOYSA-N	585.450	6.658	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5ccc(Br)cc5)c(Cl)c4)cc3)cs2)cc1	408846879	RPDZKVVBIAZIAX-QNVXDBMFSA-N	666.428	9.274	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408848889	WWYZZIIKCIDZID-ORBVJSQLSA-N	686.607	7.564	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408874878	DSSISSCLFQBBDA-JEPNHJGPSA-N	620.171	6.589	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)o1	408882338	MOBZLSQSTOTHKC-YSURURNPSA-N	620.612	5.794	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408884578	UPAYOOPAMFRVGU-PPDIBHTLSA-N	522.226	6.416	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	408886761	LYPBPEDPAVVHAL-VCHYOVAHSA-N	655.288	7.981	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Cl)cc1	408887763	TVFKFORGNFEZFD-MHWRWJLKSA-N	501.753	6.420	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)c([N+](=O)[O-])c1	408889580	FNQNHUPOVIJMLK-WOJGMQOQSA-N	508.328	5.491	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)cc1Cl	408925539	UPRHTLLRUKAWGE-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2I)c1	408926718	XRHDCZSIUIMIMI-VXLYETTFSA-N	664.237	6.027	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl	408943509	HRGVXIFWUNFWCF-MUUNZHRXSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c(OC)c1	408957692	VMHNVRRVKMTLNH-PDQWDMBESA-N	659.498	5.440	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccccc1F	408957778	VWTYYQSXRWDINE-QKRNDYIXSA-N	674.726	5.261	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)cc2I)cc1	408964186	BQYXFVXAJCBNCQ-KVSWJAHQSA-N	639.206	5.558	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	408969990	YHALAHKKEYJBMG-YYUDNWSGSA-N	590.507	6.218	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408973350	YNVNLNKADQGPBQ-JKYDDCPPSA-N	689.423	7.533	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1Cl	408983641	MZTRZCZEIWVAEV-ODLFYWEKSA-N	508.836	7.812	50	40	KKGB	
C=CCn1c(C)c(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c2ccccc21	409001069	GKLQPXGAVSENDG-QNBFMKIVSA-N	514.651	5.004	50	40	KKGB	
N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409008762	GHIOZFYONGUMRO-VWJSQJICSA-N	650.270	7.168	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1cccc(Cl)c1	409034399	NSCPQTPTCUTUOG-DPNNOFEESA-N	569.086	7.559	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409057476	PCTLEAWQMHNLTD-PNQUVVCRSA-N	724.164	6.743	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409071177	ILJYTZYPKMJSFP-HZHRSRAPSA-N	551.470	7.644	50	40	KKGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409077501	FSSLHIPAYBQJGC-WJDWOHSUSA-N	506.889	5.672	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	409115211	JKYMVHPRBPADFP-FDAWAROLSA-N	659.933	5.869	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Br	409119122	POXYMKBBVLJSBE-KKMKTNMSSA-N	573.271	5.236	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)c2C)cc1	409124760	CLIVLZAHRMJCKN-NDZAJKAJSA-N	514.651	5.300	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409139442	NNUDWIMITPXBCV-ALQBTCKLSA-N	634.755	5.091	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1ccccc1C#N	409186735	HEINTYNYNPFUEA-CAQPMQTCSA-N	509.562	5.783	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)NC1CCCC1	409191439	HLVHMTMEJSIDCZ-SXGWCWSVSA-N	632.667	6.094	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccc(C)cc1	409223971	JOYARPXFAVJVDL-UHFFFAOYSA-N	590.463	6.936	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c1	409225526	PGXNQUYBDOKJPD-CCUYQKNOSA-N	583.000	6.192	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409225572	PTKQESLAMHUGIC-WOJGMQOQSA-N	585.373	5.311	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409258348	SUJKZPHXGISRDL-GRSHGNNSSA-N	568.855	6.291	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)c(OCC(=O)Nc5ccccc5)c(Cl)c4)cc3)cs2)cc1	409260989	ZKHYHPRAZNLJIV-QMRORBIVSA-N	630.557	7.950	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)c1	409264327	DOWNMKACPTWZKP-ZMFRSBBQSA-N	545.231	5.301	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)c1C	409268699	XVKJMRIXOQRKRA-VXLYETTFSA-N	585.252	6.818	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OCC	409300703	AFKFLIHVRUZHKW-MWLSYYOVSA-N	570.440	5.037	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	409311021	XUVJKARAGCGQBY-DLCNMLRHSA-N	628.350	8.077	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)cc1OC	409325047	WGWSRGSYOLAESW-QDTIIGTASA-N	606.267	5.660	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409327913	XYPDZRMIRAVLIR-RODHXAHZSA-N	688.453	7.919	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1O)c1ccc(Cl)cc1	409345689	MZGNVHRDJTZICD-WZUFQYTHSA-N	507.496	5.319	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)[nH]c2c1	409374209	KUISCOYBZQDYGU-MFOYZWKCSA-N	541.218	7.179	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccccc1F	409374593	UNIFLXZNNSBNBQ-ODLFYWEKSA-N	506.375	6.815	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409381101	DZBRCLRAYFGLMF-IPBVOBEMSA-N	586.111	6.660	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2I)cc1	409384936	GTLUVINEZRRVAW-RPPGKUMJSA-N	601.378	5.455	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2Cl)cc1	409387459	WRROMYOUPWYNGC-LUOAPIJWSA-N	544.372	6.157	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397974	PVNAUDKQDWXGTN-UHFFFAOYSA-N	614.054	6.506	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409399996	AUDDRNQWJWLPHT-ACXHZZMFSA-N	627.333	7.120	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409405945	VLOJIZVDKOCMRM-AEVGBRMKSA-N	721.992	8.332	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4ccc(C(=O)O)cc4)c4ccccc34)o2)cc1	409407085	YVAMCIRXZIOACO-WBIBEUCMSA-N	586.648	6.731	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCc1ccc(Br)cc1	1529548919	QDJOFWHDMIFUJQ-LNZKYNOCSA-N	793.478	5.526	50	40	KKGB	
CC1(C)c2cccc([C@H](N[S@](=O)C(C)(C)C)c3ccc4ccccc4c3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21	1857795044	INPFKBHUCNWXCW-OUDQIDCQSA-N	653.828	9.171	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1cccc3ccccc13)=C(C#N)[C@H]2c1ccc(Cl)cc1	2310450	CTHNJUALIHMHEU-HHHXNRCGSA-N	528.077	6.930	50	40	KKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)COc2c(Br)cc(OC)cc2Br)cc1	3115985	PGKFCTHZAXJFHQ-AFUMVMLFSA-N	541.284	5.376	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1	13174069	WUXFUKGEEVNAAH-XMMPIXPASA-N	507.999	5.178	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1OCc1ccccc1	13894728	FWJJNDWSDGJGLI-UXHLAJHPSA-N	517.423	6.273	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12	30738565	ACDRDZDWSKVKSC-SOBZRGIBSA-N	520.629	6.619	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1	59652691	JBFODDXYMDTULL-GUBAARJWSA-N	624.162	7.387	50	40	KKGB	
COc1cc(N(C[C@@H](C)Br)C[C@@H](C)Br)ccc1/N=N/c1ccccc1C(=O)O	95848290	WUBLXGHQQPESHV-SVWFUCTISA-N	513.230	6.182	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)c(OC)c2)cc1	97958550	HINICXPJIUGMRY-XMFVSIJWSA-N	631.154	6.397	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl	97959213	MBEHCKMOBZLHRB-XSYXJYRBSA-N	597.071	5.555	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(I)cc2)=C(C#N)[C@H]1c1ccccc1	97999831	OFDANFZQOXZRFM-HHHXNRCGSA-N	636.515	6.006	50	40	KKGB	
COc1cc([C@H]2CC(=O)N3CN(c4cc(Cl)cc(Cl)c4)CSC3=C2C#N)ccc1OCc1ccccc1	98048430	XSOWPIBSXQBRFZ-HSZRJFAPSA-N	552.483	6.800	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	100062777	MZGDOMBOEYXDGE-PPDIBHTLSA-N	615.547	6.899	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	100336133	APDYTCJAKKRFMQ-OCKHKDLRSA-N	560.275	7.506	50	40	KKGB	
COc1cc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)ccc1O	100858717	AKTRVZLCDLMOCV-JVWAILMASA-N	552.454	5.044	50	40	KKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1	100879150	RUALARPDTKAMNO-CJLVFECKSA-N	542.532	8.326	50	40	KKGB	
CCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1	103016246	QBPLFEYVFBVKKU-INDMIFKZSA-N	529.269	5.240	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1cccc(Cl)c1Cl	103891049	MORRNWSFCJNFRX-YBEGLDIGSA-N	520.185	7.020	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(F)cc2)cc1	103902769	RGOUSTOWNAYYLI-KBVAKVRCSA-N	536.604	5.026	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccccc1O	150364269	WUPFGMLUCSEHBI-MUXKCCDJSA-N	648.238	6.098	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	216061643	HJOZELPPDJPOBI-KBVAKVRCSA-N	596.319	7.497	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1cccc(C(=O)O)c1	408545067	YXDQWCBNMYLHJF-JMIUGGIZSA-N	612.376	5.211	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408555854	YRDJLMUSQPRTLW-NVNXTCNLSA-N	545.766	6.118	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1	408579732	JVGVXCWGZMPDAL-WOJGMQOQSA-N	544.776	6.035	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408580186	MWNBNSJYXOJRFE-AWNIVKPZSA-N	635.163	8.390	50	40	KKGB	
CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	408636602	AXJSGITYBAHKLU-REWPJTCUSA-N	534.436	5.464	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(C)cc1	408676656	LWJGBFCYXWLDEC-UXHLAJHPSA-N	583.470	5.941	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408689540	YLEAJRCHGVXWKT-JNYDFHNISA-N	635.567	5.982	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408724678	GSNAJCNTJFERGC-FJCNKBRKSA-N	589.155	7.374	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1Br	408743728	XSUIVECSGJZEMA-DHDCSXOGSA-N	506.194	5.721	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)NCc1ccccc1	408747790	SYJVUKHEYZFNAK-NDENLUEZSA-N	573.228	5.856	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccccc1F	408751479	ZWJQQTYSJDDRBS-KCSSXMTESA-N	610.423	5.404	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2Br)cc1	408761165	CNDRWNROKJWDIY-NVMNQCDNSA-N	560.673	7.298	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408763194	RPYFDADDIUZCCN-UUYOSTAYSA-N	547.836	7.389	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)Nc1ccccc1Cl	408774562	WLCNVBXPZUGXEZ-KCSSXMTESA-N	544.076	6.555	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1cccc(C)c1	408791640	ABZSOOIFDVDUAZ-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccccc1Cl	408793116	NLROGDANFDPDGE-UDWIEESQSA-N	525.388	6.303	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1C#N	408794302	RWXCKRPBGBYIDG-CIAFOILYSA-N	532.394	5.853	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)cc1	408797604	SCSJUVNXWVPNGE-LPYMAVHISA-N	530.378	5.622	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1C	408822615	CKVLILUTEJPXAJ-WGOQTCKBSA-N	601.928	8.423	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408832917	QYBXBZOWMXHVAQ-NDZAJKAJSA-N	603.118	8.904	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl	408833930	XFSHVILVZRCFMZ-XKJRVUDJSA-N	561.413	5.336	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408841676	GPJGLJGWMZOQGO-AABVJFSESA-N	667.368	8.206	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccccc1	408841802	LPMKOTFSXUGRNL-ROPCREHHSA-N	633.490	7.339	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(OCC)c1OCc1ccccc1C#N	408845112	OMKQBLUKXZCAEG-WVKHYPTHSA-N	627.770	8.204	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408846214	RETDMJJZGVLJRS-KPGMTVGESA-N	611.279	6.991	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408856205	JMEGMDVRUANNNU-WNFQYIGGSA-N	530.998	5.493	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408857325	FXRSEVIWXXELPZ-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1	408861680	FJROUXGGPFRULO-FABQOPTDSA-N	655.560	5.674	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Br)C(=O)Nc1ccc(O)cc1	408877087	PQIDTBZLYIVGLS-LDADJPATSA-N	512.201	6.054	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408880430	IZWCVUAJGTXLPU-MWBNBJEGSA-N	685.040	6.961	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OS(=O)(=O)c1ccccc1	408883221	SAAXHQBTECVWIN-LGJNPRDNSA-N	572.264	5.686	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1Cl	408897194	QORCNCSSQBCKAW-VCHYOVAHSA-N	603.800	6.295	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccccc1C	408899141	NNQIHTTUWWSJJZ-UDWIEESQSA-N	535.394	5.979	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12	408938855	AJJOWVCEUVAHQJ-YTTGMZPUSA-N	687.616	6.066	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)c(OC)c1	408950859	HSSMRSCSDYZPIO-VOSMKULASA-N	675.953	5.955	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409026159	HPNSJXMWIWZKRC-JFLMPSFJSA-N	504.439	5.462	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl	409028985	WHANTJWIJQTJOD-ZPOUEADKSA-N	599.540	6.498	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	409044938	DNTWZSALMJCAPV-RGVLZGJSSA-N	540.255	6.953	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1nc2ccccc2o1	409046647	KWJLBZRNXXUGNV-CXUHLZMHSA-N	500.179	7.540	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1nc2ccccc2[nH]1	409078076	HNXKEWKJNXWLHV-NTUHNPAUSA-N	519.266	7.653	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409111325	IAJGPOSNIXMYQQ-FDAWAROLSA-N	568.482	6.127	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCc1cccc(Cl)c1	409123669	HZWADVCPHCVUMV-FMFFXOCNSA-N	592.117	6.215	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1	409131829	OZYNAQKVCZJXDV-ALQBTCKLSA-N	642.561	6.325	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccccc1F	409140265	QSSUWEVSRQPCTE-HSZRJFAPSA-N	558.347	5.332	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	409185668	OIRZYVYUKNQRRH-ATZGPIRCSA-N	660.949	6.175	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409223394	FGJYWFQUBDPARE-LNADQZHESA-N	726.765	7.408	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409234711	XNGCXDVKRAHZLT-ZDLGFXPLSA-N	590.352	6.899	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409250801	NZVDTZOKOXAGHG-LZAZYHHXSA-N	613.427	5.631	50	40	KKGB	
O=C(COc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1)Nc1ccccc1	409255002	GQHKHDYJEXGBFW-DPNNOFEESA-N	582.085	6.989	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409256049	JNZVJUYTXQKWOO-VCHYOVAHSA-N	633.845	6.354	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409257009	RAXFEDLHRVYYCV-NUJZUDFISA-N	530.408	5.491	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409327835	WYBHIUJXAVSZSS-AQLQTECXSA-N	581.931	6.629	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)ccc1OCc1ccccc1Cl	409352836	DZNZJHQZJHSEFP-UVHMKAGCSA-N	502.796	5.252	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	409359692	BSZOGBPJCDSTMP-FJEPWZHXSA-N	522.830	6.397	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409370590	BIYOTZGGVNBBGX-UKWGHVSLSA-N	528.233	7.669	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCC	409383737	DGXOHOXSONVUQJ-NTEUORMPSA-N	508.406	6.355	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409396969	DLNGVXKWQUSWLV-UHFFFAOYSA-N	620.862	7.382	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409397056	FRIINTSTZIQLNH-UHFFFAOYSA-N	596.392	8.144	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)o2)cc1	409399877	ABQWUMHJKDSDSN-RODHXAHZSA-N	667.387	8.678	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)Nc1ccc(Cl)cc1	409400809	FNJUELAAUNNVAA-XFDYYPNTSA-N	667.162	7.438	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	939474	PYCYCMFERVIEKM-SFQUDFHCSA-N	508.372	6.441	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccc5ccccc5c4)c3C)sc3c2CCCC3)cc1	2156314	RGPUMUHLEVZCEX-JEPNHJGPSA-N	560.723	7.512	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)sc(C(=O)OC)c1C	2372578	YNYGQNJICWDBIP-UVTDQMKNSA-N	532.441	5.882	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1	3178723	PPJIZBGKOGJZFX-KBVAKVRCSA-N	505.401	6.915	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c1Br	4017833	XVOACKVDXBJCEZ-HCBMXOAHSA-N	641.980	6.403	50	40	KKGB	
C/C(=N\NC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1	8427070	RRXOHQOBYJERMY-NXEFEZKASA-N	556.662	7.578	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(Cl)cc1Cl	13562921	KKDQJKNVFFUJQC-FDVSRXAVSA-N	517.869	6.677	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccccc3[N+](=O)[O-])n2-c2ccc(C)cc2)cc1	13898664	AXTAXUYQNAQXOX-HOMFSZAXSA-N	512.595	5.367	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1ccccc1OCCOCCOc1ccccc1P(=O)(c1ccccc1)c1ccccc1	33355237	ZBDFWKXHTSOGJD-UHFFFAOYSA-N	658.671	6.440	50	40	KKGB	
CC1=CC(C)(C)N(C(=O)[C@H](C)Cl)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21	34776445	NTBKBSLYGXTUGC-VWLOTQADSA-N	506.089	8.225	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc2ccccc12	97960969	COAYHUAHHGWEKB-UHBFCERESA-N	529.390	6.700	50	40	KKGB	
CCOc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1O	97965360	IUPFULCNKZJKBM-MUXKCCDJSA-N	542.448	5.588	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126346	KQTKEVIHVKBJCM-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1	100351105	VFOCPTXMGWLELM-GOJREDGKSA-N	606.748	6.571	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	101057798	SHSQFHPWBHSAOA-MSXFZWOLSA-N	547.159	5.103	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OC(=O)c1ccc(OC)cc1	102933075	PPJUVMNYTQFOEX-LICLKQGHSA-N	556.358	6.074	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	102935053	VACHKHUPROVDCR-CPNJWEJPSA-N	518.356	7.179	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)cc2)cc1	103898650	CRVOMLDHRFTPDY-KCSSXMTESA-N	544.076	6.722	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(C)c(Cl)c2)cc1	103900593	NDAANDMHARSUML-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	103902153	XRIXPKAZAMMZEB-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
Cn1/c(=N/[P+](Cl)(/N=c2/sc3ccccc3n2C)/N=c2/sc3ccccc3n2C)sc2ccccc21	104246487	DSJJMBSVFYVACI-XDBAAARLSA-N	556.102	6.365	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(/N=C/C=C\c1ccccc1)c1nnc(-c2ccccc2)c(-c2ccccc2)n1	104290002	CMZPQMALKOQRAD-XLRMIKHNSA-N	571.553	6.368	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c(C(=O)OCC)c1C	105661860	ZTSOMQXIAFGOOI-UYRXBGFRSA-N	564.641	6.188	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C3/C[C@@H](c4ccccc4)Oc4ccccc43)c3ccccc3n2)cc(OC)c1OC	108618559	QEAXNRRMKFEIGC-QVTROWAGSA-N	559.622	6.586	50	40	KKGB	
CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341596	GNKFBQOEWVFNSR-ZDUSSCGKSA-N	678.302	10.475	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342053	ROKXDQRFGNORJL-UWTATZPHSA-N	792.030	9.658	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	162392752	POTNEYPSDNMNRK-BCOWRPMWSA-N	673.113	5.961	50	40	KKGB	
O=C(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F	164493384	VOAMXAGBQIGIEI-UJAMLAJJSA-N	996.120	10.868	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	216043362	HOTLKZHMNHKWAC-VYYCAZPPSA-N	573.387	5.097	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCc1cccc2ccccc12	216045172	AUEOFSHAYRTMAS-CAQPMQTCSA-N	592.477	6.732	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)OC)cc3)cc2)ccc1OCc1ccccc1	408537690	GWCWIOHSCVQMNI-USHMODERSA-N	562.622	6.576	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)ccc1OCc1ccccc1	408538339	LGKOHVPQSMGQTA-JFLMPSFJSA-N	601.530	8.713	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccccc3C(F)(F)F)cc2OCC)ccc1OCc1ccccc1	408540702	VGUFQOLTPMSMMO-GZOMZLSJSA-N	671.510	8.187	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550273	CGSRHUINSQWZQI-OVCLIPMQSA-N	619.246	6.565	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1cccc(Cl)c1Cl	408566965	BXQOHPRLUJSZCB-UVHMKAGCSA-N	520.507	6.409	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)c2ccc(Br)cc2)cc1	408580829	RWVLPALSFFFISV-LDADJPATSA-N	533.241	6.352	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1	408612175	XVFGRHDZOWJXIB-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408649120	XNHQKPWAAOJIEA-YSFYHYPLSA-N	719.364	5.038	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408652560	PBQXTWBSTCYUKA-HLFFMGMJSA-N	643.954	7.123	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccccc1Cl	408712059	XRFYEHFYMKPSPM-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	408744270	JXTGYZKYDVUBKY-QRVIBDJDSA-N	576.288	7.798	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408748183	ZPJWPFSSHMHDKA-BJUCDSOZSA-N	574.291	7.265	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)[nH]c2cc1C	408782065	GTWVNOYEKZSYSC-JAIQZWGSSA-N	549.368	6.126	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(F)cc1	408785799	ZMDBQGVRHXBNRG-WQRHYEAKSA-N	542.304	5.253	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408787513	BCPGMBHHOSLENZ-REZTVBANSA-N	536.242	7.742	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408787843	GXEVVFQNPJPJBJ-OEAKJJBVSA-N	636.315	8.054	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408788141	BIBFTCXPPYLSNK-UDWIEESQSA-N	708.290	6.206	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	408795015	JVZDJSHZAISVEC-YZSQISJMSA-N	553.456	7.461	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccccc1C#N	408798227	VIPLFUWAGZURMQ-ZVHZXABRSA-N	508.534	5.718	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1OC	408822051	AFVWZRWHFZGRMW-VQWGYEAZSA-N	799.755	6.644	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408823713	FZDBKXYNGWJETQ-DEDYPNTBSA-N	600.307	7.134	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408826848	KZSNMLGGZHLLDP-HZHRSRAPSA-N	697.221	8.678	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408827479	JTFZIKGCALVZMQ-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408839311	QMJZFLJCWBUXLL-OKCVXOCRSA-N	579.520	7.186	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839369	RFHJAZUEXPTYBQ-VTNSRFBWSA-N	584.057	7.458	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408840884	CUHNEPLDUXADNZ-FJEPWZHXSA-N	597.922	7.307	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c3ccccc32)c1	408845281	VRBHDQBNLFDVMT-ROPCREHHSA-N	547.606	6.910	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)cc1	408848108	PAGFFXQRNZIBIJ-LRIZEKIPSA-N	654.683	8.233	50	40	KKGB	
Cc1c(Br)c(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(Br)cc1	408853908	ZPJNQDGDZCYLBB-WJDWOHSUSA-N	524.178	7.702	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c2ccc(C)cc2)cc1	408857554	KQRMELLHEGWNFS-XZYGTATASA-N	701.039	6.743	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1cccc(Cl)c1	408858576	UCJZNLIKWMBEKM-RQZCQDPDSA-N	562.766	6.217	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1Cc1ccccc1Br	408879756	DAHRCRGSSUOFII-GIJQJNRQSA-N	621.700	7.161	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(C)cc2)c(OC)c1	408886984	NHMWHNFROMWBTP-VXLYETTFSA-N	599.381	5.650	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408887863	ULGZVKZJCPPJEU-IURWMYGYSA-N	634.434	6.848	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Br	408889049	BCILVDZKLKEHPY-VCHYOVAHSA-N	556.800	6.534	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cccc(Br)c1	408890934	IPPADZXOHLUIOR-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(Br)c1	408893784	HPWQMKBVHGJAKS-XYOKQWHBSA-N	565.605	6.887	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cc(C)cc(C)c1	408897514	XLTMOYWOZCBNNZ-KEBDBYFISA-N	574.302	7.896	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408899167	NTBAEZBNVDEZMF-RQZCQDPDSA-N	681.224	5.937	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc(C)c2)c(I)c1	408940385	CFPNXQUSIRUKPF-GDLZYMKVSA-N	698.583	5.064	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408944173	IQAKXXSOWUDEPU-HHHXNRCGSA-N	832.342	6.825	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c(OC)c1	408956919	RULKJFIQHYIDBF-FKZKYSLJSA-N	869.407	5.112	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc(I)cc1	408967763	RZDRTDGABFVPCY-KVSWJAHQSA-N	608.205	5.416	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCCOCCOc2ccccc2C)cc1	408971831	QSYCCJCWUBWZRC-HAVVHWLPSA-N	535.438	6.086	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccc(Br)cc2)cc1	408972210	NMBFDJBGOXGMAM-NBVRZTHBSA-N	538.354	5.369	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1)c1ccccc1	408981244	VNQMVBWOQZBFTJ-YKDKEXQMSA-N	524.017	5.645	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(C(=O)O)cc1	408985727	YEFNQTLLNUZQND-RGVLZGJSSA-N	569.839	6.633	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(C)c1	408997983	PONAAFXFWKXZNK-BIZUNTBRSA-N	566.570	5.537	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)Cc2ccc(Cl)c(Cl)c2)cc1	409007399	WFHDKTQTWPVSEM-DPNNOFEESA-N	596.536	6.222	50	40	KKGB	
Cc1c(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c2ccccc2n1Cc1ccc(Br)cc1	409017996	OSKSQEAOHCUHSN-NUJZUDFISA-N	520.814	6.924	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1ccccc1C#N	409020332	OAYMXICIRXIVMS-PNQUVVCRSA-N	756.132	6.628	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409024138	XFGHHCVFCCKXCB-YNFMAFFXSA-N	635.817	6.010	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409027381	BTOBXYKOKCLXGZ-FMFFXOCNSA-N	571.699	5.545	50	40	KKGB	
Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)cc4)c4c(C)cccc34)c2c1	409034947	OMLDVPDKRWNOMZ-GZOMZLSJSA-N	591.542	8.901	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccccc1Cl	409037273	MOAJJQWCWATLTG-FABQOPTDSA-N	647.900	7.511	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409049021	PUVQBCUEYYVBIA-GZTJUZNOSA-N	571.346	5.002	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)c(C)c1	409049485	XCEPECQVFYCDEJ-VXLYETTFSA-N	558.245	7.092	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCc1cccc2ccccc12	409066258	KRCXQRUYKOCGIU-MTDXEUNCSA-N	502.614	7.318	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc(Br)c1OCc1ccccc1	409126270	NMGWVGKUPGXOKA-FJEPWZHXSA-N	544.405	5.300	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Cl)cc1Cl	409132420	OLQIUHCBKMNXSL-QHCPKHFHSA-N	562.247	6.657	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)c(C)c3)c2)cc1	409166882	GKXAYYBTPFNMPL-OCSSWDANSA-N	581.467	5.043	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409179840	NWFLCNLLCNVAJM-BRJLIKDPSA-N	563.202	5.471	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409179956	QZGDVIZRMBVQNQ-AMVVHIIESA-N	564.307	7.043	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)cc2c1	409186752	HKTDSHFQRVHYPS-CPDSRJINSA-N	506.389	6.905	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c2)cc1	409227180	SZXCGCMNLKFZPA-UHFFFAOYSA-N	606.860	6.347	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl	409270560	QVRFKTCAGJWVST-APSNUPSMSA-N	638.143	7.390	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1OC	409313222	OXGWKLQIZMQAAW-VYYCAZPPSA-N	626.323	5.459	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2Cl)NC(=O)C[C@@H]1c1cccc(Br)c1	409320170	ADHYRUNXMNVHTR-CYBMUJFWSA-N	511.228	5.466	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1OC	409327646	VNPJELGSAQHYJM-NTFVMDSBSA-N	540.414	5.028	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccccc1Cl	409360381	FBNPLELVNIPOCK-OCKHKDLRSA-N	559.787	6.715	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409362524	HJQSRQNPVNHEJN-MNDYBZJGSA-N	564.307	6.989	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1cccc2ccccc12	409371835	QKTRHGDKPAOHMQ-BKUYFWCQSA-N	535.356	7.235	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)N1CCCC1	409372824	RJHULVZXLDUQNT-LICLKQGHSA-N	584.195	5.004	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1	409373697	SVFRMPSCXVFCDA-KCSSXMTESA-N	586.429	6.949	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccccc1Cl	409389976	BIXKVGQEXZXYDX-APTWKGOFSA-N	624.906	7.205	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396383	OJNQZYIPKNNZKY-UHFFFAOYSA-N	670.516	6.913	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)cc1	409396605	ZHPPQVZTKJUCDP-UHFFFAOYSA-N	662.924	7.260	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccccc1	409396660	ZUPXNOQDCCWHNV-UHFFFAOYSA-N	696.193	8.106	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397582	LLIQINFZVQYMGG-UHFFFAOYSA-N	647.323	7.352	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(C)cc1	409405668	ULKRNJFKGVHNBU-CLHYIUPASA-N	612.126	7.970	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccc(Cl)cc3)o2)cc1	409409402	OSKWWRVYURBHJU-QSIIKIROSA-N	639.064	7.210	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Cl)cc1Cl	1529548940	QOCKATMNZYDYBN-BAAQWRSWSA-N	711.668	6.585	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	1067155	YYAKWLWFCSRHHT-RUZDIDTESA-N	569.539	7.070	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/C=C/c1ccccc1	1772038	KCGHYHJZKJHLRO-MPCPQKGKSA-N	518.440	5.604	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1	1888872	MJCLMQTWDGGGEI-GFPZRUSRSA-N	526.420	5.875	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c(OC)c1	2211510	DHVGSRQFSAPETR-VWLOTQADSA-N	538.069	5.794	50	40	KKGB	
Cc1cccc(C)c1Oc1ccc(NC(=O)CCC(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)cc1	8451495	NKJSYYPXHZZWFS-DEOSSOPVSA-N	511.977	6.377	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1Cc1cccc(C#N)c1	9879459	SNHZVOJXAFMXAJ-RWPZCVJISA-N	518.358	5.238	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(I)c(C)c2)c1C	16162439	DZAKLHHNNVKEQJ-STZFKDTASA-N	509.391	6.115	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1	59485121	GMLRSFFRQZYMIY-JAIQZWGSSA-N	515.778	6.905	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	59646173	YWCVQAXSJYUGLF-UHFFFAOYSA-N	548.547	6.421	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	59652499	PCLBEORYEMILQB-IBBHUPRXSA-N	561.969	5.563	50	40	KKGB	
Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)nc2ccccc21	97947299	IFGIZIDZZLCRNT-BWAHOGKJSA-N	525.587	7.208	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1Cl	97951278	AOXQEZXNZCYVBK-AREMUKBSSA-N	536.484	7.270	50	40	KKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1	97961715	ZPHMKAKUOCCSQK-CLSXKXNXSA-N	553.453	6.028	50	40	KKGB	
O=C(C[C@H]1Sc2ccccc2NC1=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	97981045	NVVKRMAAQCNYQY-FEYQCKCBSA-N	527.524	5.119	50	40	KKGB	
COc1ccc(N2C(N)=C(C#N)[C@H](c3cc(CSc4nc5ccccc5s4)cs3)C3=C2CCCC3=O)cc1	98008232	CJKAZCHLQJRPDN-AREMUKBSSA-N	556.738	6.963	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1	100090683	NPUAJULSFIOFPY-BIZUNTBRSA-N	566.045	6.414	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccccc2C)cc1	100123206	XWXPMRDOWZEFDD-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)ccc3C)o2)cc1	100139405	GMVXLXKMDGGRSQ-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
COc1c(Br)c([C@H]2ON=C(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)[C@@H]2C)c(Br)c2c1OCO2	100237723	VAGIKPSHXOMLKQ-IHGWPFCDSA-N	595.288	5.460	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	100239868	PZEPTRSJYMLPSA-BIZUNTBRSA-N	611.189	6.214	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	100351189	ABQDKSGMIZOYRD-HPNXWYHWSA-N	627.166	6.916	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2ccc(C)cc2)cc1	100380060	RSOUVUZEQDPFPN-FDAWAROLSA-N	625.614	6.233	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1	100852087	CAOMIZQKGALHSF-QNKGDIEWSA-N	570.763	6.329	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc(Cl)c(Cl)c1	100852546	DTEQHHVOUBVUHM-WCMJOSRZSA-N	571.555	6.574	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c4ccccc4cc4ccccc34)n2C2CCCCC2)cc1	100858936	KHBCWCXPEVLLHP-FMFFXOCNSA-N	533.701	7.308	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc(OC)c1OC	100921309	OBBCAHXYYIPHHD-WCMJOSRZSA-N	612.477	5.443	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N/N=C/c2ccc(Br)cc2)cc1	101732373	NXBWGTWZLAALMH-OVRWREGLSA-N	564.440	5.125	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc(Cl)cc1Cl)=C(C#N)[C@H]2c1ccc(Cl)cc1	102086101	YFGAOHCBGZZEPO-HSZRJFAPSA-N	546.907	7.084	50	40	KKGB	
CC1CCN(c2oc(/C=C/c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1	102617958	LMTCUDNVBKRXDG-GHVJWSGMSA-N	529.644	6.701	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	102807561	RAPXOIWPEBFXBY-NDEPHWFRSA-N	591.564	7.625	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	112255473	XZXKWVDTQITJRW-LMMISBPPSA-N	604.504	5.735	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795299	UCJXUPDPHXBZJM-BQBZGAKWSA-N	988.061	12.022	50	40	KKGB	
CC(C)(C)[C@@H]1N=C(c2ccccc2P(c2ccccc2)c2ccccc2)OC1(c1ccccc1)c1ccccc1	202246989	DTAFKIBAGPGWHR-DHUJRADRSA-N	539.659	7.580	50	40	KKGB	
N#Cc1ccc([C@H](Cl)[C@H](Cl)c2ccc([C@@H](Cl)[C@@H](Cl)c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	226333647	SPXGECHQSXUQAE-LWSSLDFYSA-N	564.212	7.766	50	40	KKGB	
C[C@H](CCC(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253617032	JBHLEOSHZKKTQZ-VNXDONTASA-N	693.521	6.391	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OCC	408538815	CBGYALIJKIKNCS-PKAZHMFMSA-N	509.872	7.004	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2)ccc1OCc1ccccc1	408540311	PWBLCFFLHBKHBZ-ONUIUJJFSA-N	539.031	7.442	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1	408542154	HENVPONRPTZJGR-VXLYETTFSA-N	522.830	7.247	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(Br)cc1	408543601	PESJJCWBZOONAB-GRSHGNNSSA-N	600.263	6.433	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(Cl)cc1	408548058	CMIVWIXVOPZWHH-FMCGGJTJSA-N	504.811	7.907	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550437	FCXGGNABMXAGBW-CHHVJCJISA-N	667.243	6.078	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12	408567943	HAQXSENPGIVDEC-WKULSOCRSA-N	505.640	5.836	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408579629	IVFRVXUHDVOCMD-FRKPEAEDSA-N	627.693	7.650	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl	408599702	YTCILLPDRWCNNM-KKMKTNMSSA-N	567.223	6.406	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408606926	BCNBUFRBOXCGHY-LUOAPIJWSA-N	511.192	5.968	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3c(F)cccc3Cl)CC2=O)cc1	408610315	SSENXBKXSJHYLO-MRXNPFEDSA-N	502.373	5.516	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408646771	UKVWKLDLDBVMPH-UEXGIBASSA-N	521.828	5.406	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21	408663204	YHDOCZKCWDWDLV-VGZQXCIPSA-N	568.284	6.082	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408676061	DFMJGCNHBILWPV-HNSNBQBZSA-N	552.502	7.064	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(F)cc1	408676608	LHZBJFMYISGCJJ-MUFRIFMGSA-N	573.406	5.382	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1	408745355	MCYOPKDKJDVTDU-GRSHGNNSSA-N	614.237	6.059	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1	408745510	NCCWGZONXTVWGY-ZDLGFXPLSA-N	501.797	7.170	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2I)cc1	408751199	XQBWKUURUYPFQM-DXJNIWACSA-N	576.434	5.565	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Br)c1	408755953	SOHYBJPFEHOHQK-PXNMLYILSA-N	719.542	7.436	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccccc1I	408758649	OMSUUZYITQFCOX-XFXZXTDPSA-N	564.133	5.768	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br	408763724	QMCFXUVZTYEBAV-XNTDXEJSSA-N	607.236	5.433	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2Cl)cc1	408764068	RMKWMQKMJGUDOE-NVMNQCDNSA-N	516.222	7.189	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1	408765405	PJNHXGGDLUWCTP-VVEOGCPPSA-N	524.326	5.723	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	408767836	POSPFSFWOVGNGQ-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408782654	YAQZBJBQZXHZHU-JJKYIXSRSA-N	505.684	5.645	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(I)c2)cc1C	408790187	UVGKKQBIMTXDNQ-OVCLIPMQSA-N	536.167	5.119	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408792538	ASXACJINEBWNID-DEDYPNTBSA-N	506.356	6.044	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408797615	SRFBYMZZSKPQFM-SRZZPIQSSA-N	535.394	5.897	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408798733	WTORSLWYGUOWIE-WGOQTCKBSA-N	627.491	7.250	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	408828520	MTPWROGYSUYOJX-VFCFBJKWSA-N	559.065	8.505	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408830688	SNDHSSKVQNSECZ-HZQMBONKSA-N	749.311	6.025	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408835876	ZOWRQYPXQIPFOF-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408841094	FOOATNNZFDTTQP-XJECJHNESA-N	662.555	8.510	50	40	KKGB	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408842071	IIDQVDHKSHGAHI-UHFFFAOYSA-N	597.705	6.951	50	40	KKGB	
N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1	408842683	PNVKMNUKQSEOAB-VWJSQJICSA-N	535.551	6.049	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	408843314	SRYCYHJWQDXOPU-LUOAPIJWSA-N	562.306	5.624	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2cccc(F)c2)cc1	408845662	QWDGSDOOKKJPBA-XAZZYMPDSA-N	528.531	6.316	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	408846818	ZDCKIHDXBNVXDW-XAZZYMPDSA-N	528.531	6.316	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1ccco1	408849359	ZUHVAUNUJOYBJX-VTNSRFBWSA-N	588.041	6.782	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OC(C)=O	408853468	UDMCLUPNLKPCIO-LQNQUEJISA-N	546.421	5.913	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1Cc1cc(C)cc(C)c1	408874192	ZVCPHVWNUYYULU-ZMOGYAJESA-N	564.467	7.060	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2OC)cc1	408888442	ZWRKDZHUCYBQBE-WOJGMQOQSA-N	613.364	5.290	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OS(=O)(=O)c1ccc(C)cc1	408892644	CJAGSHIGCCQWRR-CXUHLZMHSA-N	562.387	5.532	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	408921125	DSSCYNFRSNLIAN-IPPBACCNSA-N	584.909	5.541	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OCc1ccccc1C	408924916	PMULRKKGAMSTDQ-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1ccc(Br)cc1	408946721	ZNOUDYMKURGEIL-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(OCC)c1	408954847	ZULXVMSSHJAZRO-WJOKGBTCSA-N	753.672	5.489	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1cccc2ccccc12	408991345	QFUDETJDHXCCQQ-ASYZDWHGSA-N	577.641	5.138	50	40	KKGB	
CC(C)(C)c1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)cc(C(C)(C)C)c1O	409011656	HATGGTHQHUMQFG-ZRGSRPPYSA-N	540.296	6.041	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC	409043943	NEIGKZUVICHQMC-UXHLAJHPSA-N	577.422	6.234	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409064445	DKLDRGRQESJMGS-WOJGMQOQSA-N	622.868	5.883	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078167	GUZHFICAKFNNCF-VCHYOVAHSA-N	590.352	6.790	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1	409082207	RQGRYHWBBUYPSB-OVCLIPMQSA-N	536.293	7.567	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409084993	NNPRWRWPBKUVSE-VCHYOVAHSA-N	614.352	5.522	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409109789	LLPYESCUDWBHIU-KCSSXMTESA-N	607.088	5.790	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(F)cc2)cc1OC	409125935	AJAHEMIEEKRAIN-MHDJOFBISA-N	633.529	5.903	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	409131150	JYJGMYFFIHMGHI-KVAAJVFYSA-N	644.508	5.828	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409148968	VELNMVQULCMLLX-RUZDIDTESA-N	560.909	6.608	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OCC)c2)cc1	409170294	UGYPLFVNFIOENW-ATZGPIRCSA-N	706.965	5.937	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccccc1	409190034	UZYYFTRAXCEWDH-UNOMPAQXSA-N	516.379	5.235	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)nnc1-c1ccco1	409195871	WRPDKHBKLJZKID-BRJLIKDPSA-N	531.381	5.688	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409217777	BOKZGWKTLCXYOP-UHFFFAOYSA-N	679.243	7.059	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	409219651	SSZXWMMFQGANKN-LFIBNONCSA-N	528.765	5.805	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccco3)cc2)cc(OC)c1OC	409225595	PXYNAVLGBYMXGP-ACXHZZMFSA-N	577.977	5.194	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)ccc1OC(=O)c1ccc(Br)cc1	409228082	ZVNIQDHALJYOOI-UHFFFAOYSA-N	674.504	6.017	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br)Nc1ccc(Cl)cc1	409263072	LLJJWNJHTRSKHM-BCHBDCPOSA-N	644.545	6.409	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409264436	FRXVYZDCFKDIPY-ODLFYWEKSA-N	538.387	5.652	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1C	409266803	LDMPWRQQACEFQW-UDWIEESQSA-N	506.356	6.056	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1OCc1ccccc1	409301471	FXMNMJXNYXHEKB-MJXLXAJKSA-N	691.349	7.537	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1OC	409310049	PPPIPAVFLGBVJN-QDTIIGTASA-N	580.248	6.101	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)ccc1OCc1ccccc1	409317828	WEMIVELUUJCZHN-DLCNMLRHSA-N	681.381	6.889	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1OCC	409320401	DBKBHPOSHLMVDS-QRQIAZFYSA-N	573.465	5.253	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1OC	409331123	CRLUUAADOLIFJN-QDTIIGTASA-N	507.801	6.397	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc2ccccc2c1	409371740	LWGQWFTVEOGPKO-UCQKPKSFSA-N	549.383	7.625	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cccc(F)c1	409394290	YDJUAONBXTVIMH-NVMNQCDNSA-N	581.166	6.678	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394541	BWKURYYKODVUCT-UHFFFAOYSA-N	578.455	8.278	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)c(-c3ccccc3Cl)c2c1	409395266	LTZMSJISRCFWNW-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409395553	OZSPXZRRODPUON-UHFFFAOYSA-N	709.924	7.102	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396350	NAZWBMBAFZMVLS-UHFFFAOYSA-N	612.480	6.988	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397360	IZPOJBKEYXKYIR-UHFFFAOYSA-N	572.448	7.524	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397734	NIIDZSBUYNUMOJ-UHFFFAOYSA-N	555.993	6.928	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409400693	FBJPIFJHDJCLQE-NTFVMDSBSA-N	502.527	5.337	50	40	KKGB	
CC1(C)CC[C@]2(C(=O)O)CCC3=C([C@@H](CCl)C[C@@H]4[C@]3(C)CC[C@H]3[C@@]4(C)C[C@H](O)[C@@H](O)[C@@]3(C)C(=O)O)[C@@H]2C1	1529051456	CWHJIJJSDGEHNS-HGMSEDHKSA-N	537.137	5.488	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(OCc2ccc(C(=O)OCC)cc2)c(Br)c1	1529549421	YMMBNERKDQVWRF-ITAPYZMZSA-N	709.619	5.090	50	40	KKGB	
CC(C)[C@@H]1N=C(c2ccccc2P(c2ccccc2)c2ccccc2)OC1(c1ccccc1)c1ccccc1	1988182119	RRGPMBMUVBEOEQ-UMSFTDKQSA-N	525.632	7.190	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl	1000433	SCBCIHRPCAAMLU-NRFANRHFSA-N	502.398	5.933	50	40	KKGB	
COc1ccc(-c2csc(N(NC(=O)Nc3ccc(Cl)cc3)C(=O)Nc3ccc(C)cc3)n2)cc1	1415263	ONNBBFPFWSVEPQ-UHFFFAOYSA-N	508.003	6.556	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CC[C@H](C)C2	1831834	BYMQSYQYLZIXNE-YEQVNJDRSA-N	529.445	7.162	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1	1888247	WIAUFTLDPSQHOL-FYAMCCBRSA-N	532.463	6.131	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)cc(Cl)c1O	3085587	BAWSEQVQIBHNGJ-QPJQQBGISA-N	585.474	5.261	50	40	KKGB	
CC1CCC(=NNC(=O)c2ccc(O[C@@H]3OCCO[C@H]3Oc3ccc(C(=O)NN=C4CCC(C)CC4)cc3)cc2)CC1	6461782	JNZFCHIRCSBKHL-RNJNWXNPSA-N	576.694	5.435	50	40	KKGB	
O=C(CSc1ccccc1C(=O)NN(c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2	13097010	ALKFMBUGYNFHOE-UHFFFAOYSA-N	511.691	6.347	50	40	KKGB	
COc1ccccc1NCc1nnc(S[C@H](C)C(=O)N/N=C(\C)c2ccc(F)cc2)n1-c1ccccc1	13882042	HUPKJNNYKSULDO-UNIYSIPVSA-N	518.618	5.048	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1c(O)ccc2ccccc12	16712330	DNLBTICGFKWZTQ-FDVSRXAVSA-N	501.011	5.839	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccccc1	19926352	IOWVCKSLIGOPPQ-UHFFFAOYSA-N	513.704	5.976	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(F)cc1	33385710	QVTQUBUKIGYADW-YVLHZVERSA-N	504.867	6.631	50	40	KKGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	97959984	XXSGLZFOQVGLJO-QFIPXVFZSA-N	582.278	6.378	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(Cl)cc1	97960914	FHQIWTMSEPYFJO-ATZGPIRCSA-N	530.974	6.758	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCC)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	97999546	UKDKAHOWOUQQGB-SSEXGKCCSA-N	568.699	6.191	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(Br)c2)N1	98000110	PNXDSAOMUNXHDQ-AREMUKBSSA-N	559.489	6.156	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1	98023326	SDRFIKPJSDSKJS-RHKOWXKBSA-N	624.162	7.387	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)c1	100124134	BBEXRORBEKHUHQ-FABQOPTDSA-N	582.648	6.075	50	40	KKGB	
O=C1OC(=O)[C@@H]2[C@H]1[C@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1	100179852	WNUANDQWZMRUQR-FLLYCIPJSA-N	551.425	6.692	50	40	KKGB	
COc1cccc(/C(C)=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c1	100858852	YJWNIHAEEUXQKJ-UXHLAJHPSA-N	532.691	5.276	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccccc3Cl)nnc2-c2ccc(Cl)cc2)cc1	100868531	INTMBTYRCWCFNT-RHANQZHGSA-N	540.476	6.272	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(/C#N)C(=O)Nc3cccc(OCC)c3)c2-c2ccccc2)cc1	101697342	YWDYZAGBGFFCCS-SWKFRHMKSA-N	581.672	7.932	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889489	BWXANRLEXHKTJL-CHHVJCJISA-N	581.637	7.442	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	103901153	LNFUQXDEGFJSLP-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1	104402998	TZZFTYQPMUTJFB-RWPZCVJISA-N	578.834	6.085	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	150385619	YXKMHVORJOGHFX-AABVJFSESA-N	623.484	6.765	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1Cl	408542922	LTJDUIIZEPDIIB-JAIQZWGSSA-N	559.787	6.685	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408544912	YOKYKCJPGDYVLV-JCMHNJIXSA-N	538.585	6.397	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(C(=O)OCC)c1C	408545947	AJFNCWPJWFGEFI-SFQUDFHCSA-N	536.562	5.605	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccccc1Cl	408567011	CENUSYAECROIOH-FJEPWZHXSA-N	669.006	6.930	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(Br)cc1	408567233	CQRWPGJFRKBGIO-IPPBACCNSA-N	699.430	6.649	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccc(F)cc1	408568772	KVLLCOKCXXIHRG-FJEPWZHXSA-N	605.551	6.574	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)c1ccc(Br)cc1	408581692	YXIUYEBXRWJYMG-WOJGMQOQSA-N	503.621	7.508	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(Cl)c(Cl)c1	408585104	ACFIXGGFHJCUCU-IUXPMGMMSA-N	632.066	7.846	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccccc1[N+](=O)[O-]	408599621	XRPUYOOPCLLRFZ-OPEKNORGSA-N	661.621	5.800	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2	408608893	XIRUPMSJZRLGHL-FYJGNVAPSA-N	524.577	5.431	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408643098	ORVOLDAQMJPETF-NSEXGNSCSA-N	535.855	5.652	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2cccs2)cc1	408643603	GGZVVUBCXPMHAS-LDPLSIHXSA-N	755.268	6.292	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408649344	XTZZDADKHBHCQW-LWSSLDFYSA-N	751.255	6.683	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408657124	UCCPTXBCEMTETG-HPPKPSBPSA-N	675.176	5.495	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408725810	KTZTXWXROIGOJL-LGJNPRDNSA-N	550.780	5.305	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	408727536	QHXXUVGLYCZPGD-UCMJSZAQSA-N	592.117	6.048	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl	408730722	UONYJDKNYULDDC-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744384	FFXXNPWXGVTOFM-SXGWCWSVSA-N	611.636	6.971	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	408745290	QVFGVIMSPRFSFJ-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)ccc1I	408747695	RPKZKEWICQHHRE-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OC(C)=O	408752986	KJFBXXVIIILXGO-ZSOIEALJSA-N	508.166	5.081	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccc(Cl)cc1	408755618	OWSKROVBOVFHOM-BKUYFWCQSA-N	537.841	6.964	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2I)cc1	408762487	LBLOEEJYUFYFNU-NVMNQCDNSA-N	699.124	7.091	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Br)c1	408766259	SYFXAUZFBNOGQT-UUASQNMZSA-N	753.987	8.090	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc2ccccc2c1	408766353	UPJCEBUQVMKXGG-DEDYPNTBSA-N	578.400	5.824	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1	408791546	YLKVWTQAIIGEBN-PCLIKHOPSA-N	527.020	7.415	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408792835	LPEHCPOGCVZVCT-LZYBPNLTSA-N	685.643	6.582	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1	408793862	QPSJAVKKGQVTED-CAOOACKPSA-N	686.569	7.903	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1Cl	408793957	HGZXASKZXVEBFK-XDHOZWIPSA-N	511.803	6.626	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)c(C)c1	408795066	UPFSKCVTRFNNDJ-ZMOGYAJESA-N	501.413	7.888	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1	408796025	OARZESSYLKXTCE-HYARGMPZSA-N	517.810	7.380	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccccc1F	408806942	BQAXFPPUUCMMID-MTJSOVHGSA-N	586.401	5.640	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408815966	JZQVCQUYYNDVRW-JAIQZWGSSA-N	507.930	5.068	50	40	KKGB	
COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1	408819744	RQIKPKZGGOWHQY-OHUYPAJKSA-N	570.715	6.133	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	408824950	BQRYAVWAJTUQCL-WEMUVCOSSA-N	556.644	5.038	50	40	KKGB	
CC(C)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1	408828010	NCTRGUDUKLZXFH-CAQPMQTCSA-N	593.105	5.536	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408839717	VRCUTPXAOPRBBJ-YRJKAGBCSA-N	746.810	8.768	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408858740	LOGNBFLDHRXZSF-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccccc2)cc1	408865037	AFFLGFDRYUBGPY-UZWMFBFFSA-N	586.670	5.643	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c2ccc(C)cc2)cc1	408865216	CBAWIVKIQCIHPS-QXUDOOCXSA-N	666.594	6.089	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(Cl)cc1Cl	408865935	CRGLCCUNEQIJGE-NCAUGAEKSA-N	635.965	7.624	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)ccc1OCc1cccc(Cl)c1	408867091	JVNVRBNCXKNKTK-DPNNOFEESA-N	543.088	7.271	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Br	408882227	OBDDCQDFKKVMDX-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408885518	BHUYYZCJEFURJK-LFVJCYFKSA-N	618.325	7.915	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OC(=O)c1cccc2ccccc12	408885634	DELNVQJRLUOMQJ-XSFVSMFZSA-N	585.410	6.464	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OCc1ccccc1	408894611	JUYSJTPNNCOPGE-XDHOZWIPSA-N	558.803	6.468	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1c(Cl)cccc1Cl	408894936	LDTCAAANAUZMIR-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1	408907839	PDXFPZAPZIAEMK-AXMMYCDFSA-N	525.605	5.235	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(F)cc1	408921646	BRKGZFPPFDCLHS-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1cc(Br)c(O)c(Br)c1	408938191	RYDSEKRHUDBFAN-KIBLKLHPSA-N	531.126	5.491	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1	408950166	RQKRPQFSVAOHRI-MUUNZHRXSA-N	757.576	5.342	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408966344	LXKGMJNJHOAUAN-RQXXSLPSSA-N	613.743	6.630	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408971784	LBXLOWKWHKOKGI-XSJVISIOSA-N	554.474	5.607	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc(F)cc1	408986391	CBNOTPCNSIROCE-UCQKPKSFSA-N	504.989	7.039	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)OCc1ccccc1	408990180	JTBJHKXOCLQCQG-DGKXXXJHSA-N	720.793	6.319	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1	408993670	XBTNOSCNBAMCFY-FNQZQSCWSA-N	560.658	5.472	50	40	KKGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc1ccc(Cl)cc1Cl	409019899	XWHOQJNBPCSSEV-NRXPLXKSSA-N	520.457	5.398	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409068777	VLKYOVCOSHQLFM-XSFVSMFZSA-N	510.999	5.669	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409076242	AFOPSXWBINXTMG-WOJGMQOQSA-N	622.868	5.883	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Br)cc1	409131936	ZEQFUIFXWRAZEI-HSZRJFAPSA-N	634.312	5.761	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(F)cc1	409145433	QCXWFCXZULMZGJ-QFIPXVFZSA-N	513.363	5.381	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)cc2c1	409186339	APJRDELERYEZFH-FDVSRXAVSA-N	584.410	6.096	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409232236	PHBMMCKWUNFTAV-FXMZOFOKSA-N	544.635	6.820	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccccc1Cl	409236015	RCSLHJGNVMCRHJ-WKIKZPBSSA-N	505.771	5.522	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409243637	ZHCWWMDPTSNAIZ-ACXHZZMFSA-N	515.412	6.532	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1	409248085	JVUKTYIKAWSBSR-QLTNSANVSA-N	539.857	6.865	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1	409262610	GCQRNIYQEKVIGW-ZGLHNQSKSA-N	526.420	5.474	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409263137	AJARRXOZSCXSJC-ODFOOFNCSA-N	591.289	5.847	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)c1C	409263622	NDHOZJAYXOJEGF-ODLFYWEKSA-N	504.930	5.428	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409271958	WSTZKSANERDGDW-BKUYFWCQSA-N	562.420	5.416	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)ccc1OCc1ccccc1	409317666	RPOYBDXXDOLJAL-BJUCDSOZSA-N	579.436	6.622	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409319193	BVEQDJPATCFZKK-FDVSRXAVSA-N	608.860	6.094	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	409336251	REIPGUVXWMLCNP-YKQZZPSBSA-N	600.453	5.996	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	409367452	ACWJYFYJWSTARB-RPPGKUMJSA-N	600.278	5.005	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1c(O)ccc2ccccc12	409368578	CNRYCCLXSQIKLO-FDVSRXAVSA-N	586.895	5.303	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409373166	NRWBNNGAYZLQSH-RWPZCVJISA-N	581.366	5.704	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409395044	JFCAATLPHSJDTL-UHFFFAOYSA-N	730.921	8.279	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)c1	409395238	LJYKMOUQEDSFOJ-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)cc(OC)c1OC	409395475	NZVLZGVXWYIVSO-UHFFFAOYSA-N	617.580	6.863	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)cc(OC)c1OC	409395494	OGWNPIVDXNIWLM-UHFFFAOYSA-N	754.375	7.211	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409395768	RMNOGZAMWLQCPY-UHFFFAOYSA-N	600.900	7.851	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccccc1	409395787	RTVHSRJSMAVXSI-UHFFFAOYSA-N	664.297	7.185	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)cc(OC)c1OC	409395846	SKJHXJDKYBFQRK-UHFFFAOYSA-N	692.950	7.268	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397300	ILCFSFVEFPBXPC-UHFFFAOYSA-N	719.532	6.847	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1O	409398332	CWRWMQHPXFAMIT-MUXKCCDJSA-N	538.398	5.507	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)O	409399993	ATYCLPQMQAEFMJ-BVMLUPFRSA-N	610.461	5.655	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1cccc([N+](=O)[O-])c1	409404632	QMKBAHVUMSYBQQ-KMUKQRDJSA-N	653.648	6.824	50	40	KKGB	
CCOc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409404655	QOIVVVAEIBTOIS-BVMLUPFRSA-N	600.897	6.853	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1	1529547651	NNGIHOLPMSXYHA-GQZAJMAYSA-N	734.616	5.908	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	1531386440	XBSGDODOWCYBHW-XVIDZLOXSA-N	624.488	5.741	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1	1790194	PZXGELVBTPGRRK-JSIHEXFSSA-N	540.389	5.792	50	40	KKGB	
Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1	1790656	LOOQDFPMLDPKQA-YMGIJWJESA-N	508.430	6.367	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1COc1ccccc1Cl	2189039	QULDRXLYLWZBTM-NDEPHWFRSA-N	590.905	6.995	50	40	KKGB	
N#CC(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)=C1Nc2ccccc2N1	3300521	AXYKLFKFFSJMOK-CCEZHUSRSA-N	527.540	5.684	50	40	KKGB	
O=C(Oc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1)c1ccc(Cl)cc1Cl	4178519	BIWHUKNORLSMJV-JIYJMNMHSA-N	588.079	5.495	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)sc2c1CC[C@@H](C)C2	6167130	MGUKFYCYCXLKNF-QHQNOQBJSA-N	602.540	6.526	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OC)cc3)cc2)sc2c1CC[C@H](C)C2	6167180	CYPYSVIJHKYKHR-VLYYVPBWSA-N	563.676	5.228	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	14134540	CMPAJYUNFCBZCT-RPPGKUMJSA-N	501.764	5.103	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CCSc3ccc(Cl)cc3)c2C)c1	20243913	YUZVSOKAJCMRIN-MZJWZYIUSA-N	518.908	6.759	50	40	KKGB	
O=C(NNC(=O)c1ccccc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)cc1	95671338	KKYPTPMUPMVQQN-UHFFFAOYSA-N	626.291	6.976	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Cl	97940194	JCJRWPFIRBNJLQ-JOCHJYFZSA-N	535.050	5.752	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCCCN2C(=O)N(c3cccc(Cl)c3)[C@H](N(O)C(=O)Nc3cccc(Cl)c3)C2(C)C)cc1OC	97966432	GCZZGJRXSBZXHU-VIVICKJKSA-N	671.582	6.601	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1	98001462	OGPGJWJKBWSODZ-KLXPKKFFSA-N	647.529	5.303	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccc(I)cc1	100063117	ACDRMCSXAQJADF-ZMOGYAJESA-N	536.211	5.154	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1Cl)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	100849091	BLFXGIMTHXWAFI-VYUMYAIBSA-N	528.848	6.712	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccccc2Br)C(=O)N1c1ccc(Br)cc1	100990585	KKUWBEAGQLJQED-HVBJHMBASA-N	597.332	5.954	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	103888489	JKPWKYOWIDKDFR-MTJSOVHGSA-N	556.287	7.918	50	40	KKGB	
FC(F)(F)C(F)(F)/C(=N/Nc1ccccc1)SS/C(=N/Nc1ccccc1)C(F)(F)C(F)(F)F	104045995	YFKHUYJUZBVUFB-ONYWOVPASA-N	538.436	7.614	50	40	KKGB	
CCOC(=O)[C@H](NNc1ccccc1)[C@H](c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104106192	OTIHHGPAHAOXBD-NOCHOARKSA-N	546.651	6.003	50	40	KKGB	
CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341364	QJFYSXWOWXICFL-VIFPVBQESA-N	672.201	9.550	50	40	KKGB	
COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3OCc3ccccc3Cl)c2)cc1Cl	150417000	SPJCAZMXVMUKHS-UHFFFAOYSA-N	644.533	5.490	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12	150420294	SFXAPZWCKBVPNY-CDGMIDMGSA-N	636.020	5.052	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(OCC)c2)cc1	216066659	ZUGZNHYUQUUILN-OCSSWDANSA-N	536.426	5.851	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)ccc1OCc1ccccc1	408537037	BXZIHNXCHFBJRB-DICXZTSXSA-N	601.530	8.713	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	408538284	KITUQHXYKLIHSJ-JLPGSUDCSA-N	603.900	7.815	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(C)cc3)cc2Br)ccc1OCc1ccccc1	408540025	LXFKZARIMAICCP-FZPRHHONSA-N	638.356	7.451	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C#N)c1C	408546732	OFVSLGYOJQWTJN-YBFXNURJSA-N	562.478	7.133	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(C#N)c1C	408547183	TZCIVFVORYMVNR-UDWIEESQSA-N	549.446	6.165	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)c1ccc2ccccc2c1	408550267	FIXWIQZYUGLSEB-XKZIYDEJSA-N	501.355	6.823	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408609192	JPZXZMSSSVMAKH-RCMPGLAHSA-N	545.261	5.098	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408638636	CWHGSOABLLZLOD-LAKFJOCUSA-N	535.855	5.652	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408640089	HGCCKOAKTIZMLG-UYYRZJCPSA-N	610.730	5.199	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408650213	ZXALQDIBJDTJHM-NLJKLAEJSA-N	697.610	6.292	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408677773	UTSYTZHPFSHRGA-UZWMFBFFSA-N	518.057	6.410	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	408710793	KTLNTMMAEPNQQL-UVHMKAGCSA-N	541.243	5.987	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	408710904	VTKWFZYXQSMXDH-LSHDLFTRSA-N	523.137	5.152	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408744591	GDWDXUWSZHAJBB-PXNMLYILSA-N	522.215	7.433	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408745297	QYIDVLJODFAGBS-NVMNQCDNSA-N	501.797	7.089	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc2ccccc2c1	408747802	TYCDYOUDSTXOOS-XKZIYDEJSA-N	639.287	7.340	50	40	KKGB	
O=C(N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(O)(c1ccccc1)c1ccccc1	408749149	DUJPKSSGXWUKBY-QHDYCIAZSA-N	509.609	6.229	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)Nc1cccc(I)c1	408762412	BBGMJVDEWBMSGE-MHWRWJLKSA-N	592.220	6.161	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408764445	IRYXCENMUVQTQF-IUXPMGMMSA-N	672.144	7.884	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccc(Br)cc1	408788545	KZNNYDWDOKSHAX-QGOAFFKASA-N	535.239	6.760	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)c2ccc(C)c(Cl)c2)cc1	408789158	JZMQRNQTSKCPNX-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I	408790799	YWWLTFLRWOGIGD-LZYBPNLTSA-N	583.220	5.158	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1cccc2ccccc12	408793128	NNCXNLNODHJVNK-ZVHZXABRSA-N	588.445	7.195	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Br)cc1	408809011	HGBRDFYTSUXTRR-ICUTVXMZSA-N	608.536	7.957	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccc(Br)cc1	408818347	NUZGBNDMUKDICT-STZFKDTASA-N	521.386	6.450	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408818510	VTMHTGRZPYIIKT-PCLIKHOPSA-N	525.048	7.887	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408825968	BSYOQJSTLJFIQF-XHPQRKPJSA-N	574.102	5.898	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408826448	DHNGSOAMIRZPLT-FMFFXOCNSA-N	555.700	5.845	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OC	408838351	DQHAAJVFCQVITB-XODNFHPESA-N	527.433	6.642	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408840186	YHGLHYGPHVOATR-WCMJOSRZSA-N	567.498	7.588	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1cccc2ccccc12	408844365	NTFHSOYJFKCGPV-LALXJTNGSA-N	691.651	9.519	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1	408844497	JOKWQYXHSTVLGR-MUXKCCDJSA-N	572.253	6.699	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408848246	UZAIGTSVXMTMPZ-XAZZYMPDSA-N	577.449	7.583	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4ccc(Br)cc4)c3C)sc3c2CCCC3)cc1	408856370	HUFUHWGBKWCVKK-QJOMJCCJSA-N	613.581	7.903	50	40	KKGB	
COC(=O)COc1cccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408856399	GUYWFXMBTSJIPR-HNSNBQBZSA-N	606.100	5.360	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(=O)(=O)c1ccccc1	408859265	RSLKHJPIOPXNNH-DPNNOFEESA-N	672.985	6.044	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1	408859809	ZSSJVUSIERZHNZ-CLHYIUPASA-N	579.487	7.974	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)c1	408863287	MWBYZNIRTIMUIL-OKCVXOCRSA-N	556.471	6.216	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408874238	ZMORAOMJBHCGCF-CAQPMQTCSA-N	655.571	5.228	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1	408885098	XJQVWNSVRWITAJ-LDADJPATSA-N	587.211	6.127	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Br)C(=O)Nc1ccccc1F	408887149	OJNYJYBXLHJPMW-GZTJUZNOSA-N	530.191	6.475	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1cc(C)cc(C)c1	408887301	NLOQXBZXNITXCN-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)c1cccc2ccccc12	408889193	FKMJVFNUFDVXBX-JFLMPSFJSA-N	588.277	5.896	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	408891246	NKDGRCHEBHZXNA-WOJGMQOQSA-N	516.222	7.189	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccc(I)cc1	408892293	AKAMNNLIPDCAAQ-QGOAFFKASA-N	514.750	6.069	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccccc1F	408894047	IMFICCZFEGNGKW-RQZCQDPDSA-N	653.140	7.555	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	408949617	RJISOQDUJGMQOL-HHHXNRCGSA-N	661.995	6.111	50	40	KKGB	
CC(C)Oc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1	408971482	GGNZPCVPQATRMY-YMAAWBSISA-N	542.463	5.426	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408977410	DEYHFHCRELIBQV-XSCOCXMISA-N	598.656	5.887	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccccc1C#N	408979316	MLOUAFKPAJJLCI-SQEWQKIUSA-N	596.709	5.404	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1	408994237	YKMUDFCCQSVBPR-NLJIGSGBSA-N	617.709	5.237	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)cc1	409001095	GSBJSHRNFMBEMF-JEPNHJGPSA-N	627.650	5.355	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc2cc(Br)cc(I)c2o1	409015221	AXFQCUTVTKLARU-PGGKNCGUSA-N	614.577	6.385	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1ccccc1	409017969	GSMQFPNOJSYHPY-VFLNYLIXSA-N	698.149	7.304	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1I	409021499	KLKACKNDECNRCS-OPVMPGTRSA-N	652.610	5.001	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	409027290	FWLVSIZBJIMQIM-YQCHCMBFSA-N	568.699	5.600	50	40	KKGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2cccc(Br)c2)cc1OCC	409062956	DNDSXSKUFPLPBH-UUYOSTAYSA-N	531.188	5.005	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	409063789	NIFQMOBPNJZGQJ-LDADJPATSA-N	538.423	5.864	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCc1ccccc1F	409075304	QOEUCKQOYDAKRN-HZHRSRAPSA-N	500.526	5.474	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409079273	FEYJKBRLIQITHD-RIYZIHGNSA-N	512.837	5.642	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1ccccc1C#N	409186466	CIXQQKWWJNPUPY-APTWKGOFSA-N	523.589	6.173	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2I)cc1	409213134	SPJHZUHJOMAVJZ-LGJNPRDNSA-N	550.849	6.074	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409218548	FUMZKSILQKZQGA-FWTOYLLKSA-N	647.471	6.935	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccc(C)cc1	409220401	YTTKASBWEJNXAO-UHFFFAOYSA-N	600.469	6.392	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1	409225426	QPZKEANCXSJNNQ-WOJGMQOQSA-N	513.903	6.230	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409249992	KUBWPUVWCLRTAE-GRSHGNNSSA-N	568.855	6.291	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)c1C	409254019	HJNKWEWQPJVNAT-UNOMPAQXSA-N	538.829	6.283	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c1	409256682	NCWFEEKWKSMCDR-GIJQJNRQSA-N	528.823	6.827	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409260166	LWNNURYZJJEYSO-YBFXNURJSA-N	552.400	5.777	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)c(C)c1	409267846	WPINRKUWROOCDV-NVJOKUIPSA-N	638.154	6.372	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccccc1C	409267970	YJGUAUQQDCFSMQ-ZDLGFXPLSA-N	554.828	5.983	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409321175	DVYJQMZQHBFRNF-RODHXAHZSA-N	735.453	7.761	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(N(C)C)cc2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409369615	ROYUVZKBQXVOMH-MNDYBZJGSA-N	561.535	5.326	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(F)cc1	409371673	JULCHCQNQJMQBR-GRSHGNNSSA-N	544.320	6.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409386636	QUYHVNCUFUBXGI-XKJRVUDJSA-N	623.312	7.620	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)cc1	409395137	KHJFNSWSAFUZTB-UHFFFAOYSA-N	655.763	8.849	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)c1	409395729	RAXYDANNGJAQRW-UHFFFAOYSA-N	645.351	7.960	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396916	CYFYXOZXZKXHRJ-UHFFFAOYSA-N	618.473	7.151	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409397312	INJWLRLYHTXBIJ-UHFFFAOYSA-N	614.054	6.506	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4cc(Cl)ccc4OC)c(OC)c3)[nH]c12	409398642	UYUKXSAYPINGFR-UHFFFAOYSA-N	582.056	7.051	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)cc1	409398962	XCNZDPFJECIFTE-UHFFFAOYSA-N	551.046	6.846	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)O	409401141	GOEITADZGZBWDA-CPDSRJINSA-N	596.434	5.265	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4ccccc4)c4ccccc34)o2)cc1	409401680	IANUPJNYBLDVKC-OJYCWLPVSA-N	542.639	7.033	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409402681	KNMOSLAFULIMQP-NUJZUDFISA-N	601.295	6.564	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409405417	TZRHHDKURAMSNQ-GXBUFBABSA-N	533.628	6.917	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1	1529548242	ZMOZMVICXPJTHT-UUTVKSQHSA-N	763.452	5.518	50	40	KKGB	
COc1cc(Br)c([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC	1082008	PGLQIJCDAXDIOU-IZHWHUGBSA-N	513.819	6.005	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	2054992	VMRMXLSQHMRHLT-WKULSOCRSA-N	512.393	5.961	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)n2)cc1	2082680	WEXDFIMZGLYWCW-ATZGPIRCSA-N	562.621	6.778	50	40	KKGB	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3c(C)cc(C)cc3C)n2-c2ccccc2)cc(OC)c1OC	2096652	RTBCXPNGQAQKMO-OKCVXOCRSA-N	545.665	5.128	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	6073846	IHFQDNXQXWDGJI-BIUWRGFISA-N	539.013	6.500	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1	12250210	OHPISMRHXVTJDY-SANMLTNESA-N	502.039	6.617	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)cc1Cl	12251057	RLJJZDFJVOKOJA-DEOSSOPVSA-N	502.039	6.447	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5Cl)cc4)CC(=O)N3C2)cc1	12251087	XETUKPIIURBBOX-DEOSSOPVSA-N	502.039	6.447	50	40	KKGB	
CC[C@H]1CCc2sc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4oc3=O)cc2C1	13129222	IFUWALWMUYDWSQ-LVGRRZFUSA-N	522.630	5.986	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1	20207166	ROAGQMFUUCZIJG-JBASAIQMSA-N	526.102	6.012	50	40	KKGB	
COc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1	40486414	YFYAQBIFYJUFGE-DEOSSOPVSA-N	526.058	5.758	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(Br)c1OCc1ccccc1	40912381	CXVYJORHUAHQQK-LGJNPRDNSA-N	503.780	5.219	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(I)cc1	59856233	HHOCGXBWTJMEAG-MWAVMZGNSA-N	609.489	5.841	50	40	KKGB	
COc1ccc(NC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	97959008	YPRSOTYSHMIING-RPPGKUMJSA-N	523.214	6.499	50	40	KKGB	
N#CC(C(=O)c1ccc(Oc2ccc(C(=O)C(C#N)=C3Nc4ccccc4N3)cc2)cc1)=C1Nc2ccccc2N1	97961273	PJUKLMNGYMYHCP-UHFFFAOYSA-N	536.551	6.390	50	40	KKGB	
CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	97965823	BILOWWYBPKIEHP-FYJGNVAPSA-N	553.080	7.225	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)c2C)c1	100081441	XNRQJEBNALUUNR-FMFFXOCNSA-N	556.732	6.180	50	40	KKGB	
COc1ccccc1NC(=O)[C@@]12CC[C@](C(Br)Br)([C@H]1Br)C2(C)C	100848615	NZJGUASGNASYCH-CSMYWGQOSA-N	510.064	5.320	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC	100921210	PCAPBVCMUCQCBJ-KVSWJAHQSA-N	582.234	5.765	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	101553009	OYZGKVHMPVYKDJ-NDEPHWFRSA-N	578.521	7.113	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1	102569002	HKANXKFNBHQPAN-NDEPHWFRSA-N	529.706	7.315	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	102808652	HQIVUARAXMEJNC-NDEPHWFRSA-N	572.090	6.005	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1OC	103901364	VMDAHPHNCJMCMP-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
ClC1=C(Cl)[C@@]2(Cl)C[C@@]1(Cl)[C@@]1(Cl)C(Cl)(Cl)C(Cl)(Cl)[C@@H](Cl)[C@@]12Cl	104202301	ZMRXZSLKCSISDN-OUHXRIGLSA-N	513.117	6.972	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1)S(=O)(=O)c1ccccc1	104707990	ZCOULJWLIUXRHZ-UHFFFAOYSA-N	566.167	7.366	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	104973876	AIAIFYBPWDAXRP-LZYBPNLTSA-N	570.192	7.899	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](Cl)CCl	150340998	YXHYILYUUIAIFW-REOHCLBHSA-N	617.020	8.113	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1C(F)(F)F	150385839	AYTGZYCIWOPHBP-KMUKQRDJSA-N	661.544	6.259	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	150481160	AQXGIBVHJCYVKK-FDALDRLYSA-N	725.676	6.319	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	162500689	MWCPGZXGDIDAPJ-ZSNJKBEMSA-N	629.060	6.347	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Br)cc1	164746612	ATGRLNJOMHYSPA-YVLHZVERSA-N	625.144	8.042	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	209587283	JTVCWOIEQHBPHP-WKIKZPBSSA-N	566.677	6.607	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c(C)c1	216041449	ZJHUFCBOHMOIFZ-ACXHZZMFSA-N	674.320	6.938	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	216061774	MWCZNGKMYHXJNG-CCVNUDIWSA-N	674.704	6.681	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]4[C@@]34C=C[C@@]2(C1)[C@H]1C(=O)OC(=O)[C@@H]14	257348130	BPXYDBBZMNFAEY-WVDOTYGTSA-N	536.753	6.907	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	408538394	MEWFAYAKIWGTEK-XMHGGMMESA-N	501.421	6.448	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)OC)cc3)cc2OC)ccc1OCc1ccccc1	408538699	PGWQZOBIMGUAJJ-YUMHPJSZSA-N	671.544	7.347	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551636	LQZQXXAQTLDPAU-SXGWCWSVSA-N	579.267	7.262	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408570406	UOXYBRCCORKDBD-FDAWAROLSA-N	604.779	7.161	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCc1ccccc1	408599672	YHSGOJWUTNKDPO-GRSHGNNSSA-N	501.751	6.596	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408604913	JDFFIKMDAAJMDJ-KRWDZBQOSA-N	518.828	6.030	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1Cl	408735060	NJNCIYLZGPYTOD-LPYMAVHISA-N	531.837	7.689	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1	408745430	SCNUFDGUWXRZRY-NDENLUEZSA-N	551.393	5.679	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745987	PUGQTVNNTOOCFG-YVLHZVERSA-N	512.747	6.135	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccccc1	408767541	YJASCCUUTGEDQF-WQRHYEAKSA-N	589.227	6.187	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1C#N	408792126	IGKVUXQRTRDKHL-KEBDBYFISA-N	547.365	5.752	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(Cl)cc3)cc2Br)cc1	408794878	KKFWSXLJHNFUJJ-FYJGNVAPSA-N	583.866	6.803	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1	408798773	XDHYDKHWBUIZRV-FYJGNVAPSA-N	505.368	5.669	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(C)c(C)c3)ccc3ccccc23)cc1	408809484	ODAXFRJSEJCQQD-NLRVBDNBSA-N	504.586	6.758	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408810523	JMFBKMWZNWFVOO-DXWMJBAASA-N	653.006	7.657	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(F)cc1	408821362	GPQIZJFQEJHVDS-WGOQTCKBSA-N	615.499	7.999	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408828591	IBDUORSVTMYHMU-FMFFXOCNSA-N	608.116	5.672	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCC#N)c(Br)c4)cc3)cs2)cc1	408838390	FAKHKYTZGUQYGT-AMVVHIIESA-N	625.346	7.053	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)c(Br)cc1OCc1ccccc1Cl	408844016	BLDUNFNZFDBMKX-KGENOOAVSA-N	567.911	7.923	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(OC)c1OCc1ccccc1C#N	408847368	VIPGROAIAUWMSB-CHSHITCJSA-N	634.161	8.159	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1	408849316	ZGQBFCKSTLSIHF-CLHYIUPASA-N	762.389	7.877	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408852769	WGYWTQWCYAWISZ-FTBWOGGGSA-N	593.061	5.284	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Cl)cc1	408856534	KFWWPHKNFNQCFH-QJOVZPHJSA-N	568.504	8.411	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1Cc1cccc(F)c1	408866613	HJVMEZUUPUYPPK-KEBDBYFISA-N	540.376	6.192	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1OC	408876542	LZTYEVTUPNCTEE-UCMJSZAQSA-N	609.148	5.148	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccccc1	408876915	OTSCQABNQFVONB-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408884541	XMTUKIOQRAIQFL-RCCKNPSSSA-N	541.401	6.766	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OCc1ccccc1Cl	408885524	BIWHENSHVSFTDB-XODNFHPESA-N	530.433	6.355	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OCc1c(Cl)cccc1Cl	408887783	UDPYXXLGOOJCLA-VGOFMYFVSA-N	567.212	7.342	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408891152	MHYGARFQZUATBM-UZWMFBFFSA-N	579.074	5.201	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1ccccc1Cl	408892491	ZWPPVRNZZSHTSU-HYARGMPZSA-N	517.412	7.670	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ccc(I)cc1	408898040	JSWIYQHCRAQCOD-XMHGGMMESA-N	503.343	5.840	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408904236	GXDOWMAJRGCXEO-BVMLUPFRSA-N	568.413	7.118	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1cccc(C)c1	408922867	HBJBSKRZSMAOLD-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408923517	JCBZEBVJWGMYEL-GZTJUZNOSA-N	512.747	6.135	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408948280	FGOZNOBRPNKTQQ-OYKKKHCWSA-N	540.450	7.473	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(Br)cc1	408950154	RQCWPPYZKMWWGX-MHZLTWQESA-N	795.348	6.438	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408996584	IXIJWISGPANWGI-KVAAJVFYSA-N	610.881	7.281	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409004553	ALMLZUAZXFVZNN-ZHSUKTGHSA-N	660.407	6.424	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccccc2)cc(OC)c1OC	409005668	JHEWDVMXEQIQMP-PYAHQWHASA-N	580.593	5.314	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1ccc(Br)cc1	409019675	VNHGAQHTXIXFOY-BVMLUPFRSA-N	568.855	6.158	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccccc2)cc1	409027707	PHXZPTZCIFDKIK-RUMWWMSVSA-N	541.673	5.482	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccccc1	409043234	YLFORJXCKQIZCR-ALQBTCKLSA-N	627.564	8.058	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1	409044866	CXOSEKHYHGQOCN-LICLKQGHSA-N	546.646	6.990	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(Cl)cc5Cl)(c5ccccc54)[C@H]3C2=O)cc1Cl	409046559	RNVSDBDTMYXJQL-OIMDPVIQSA-N	614.916	6.922	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409064771	FKIBQGOWHHHFBH-LFVJCYFKSA-N	512.562	5.645	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409071959	QYWRKYAHXNQIEK-FOWTUZBSSA-N	547.814	5.424	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OS(=O)(=O)c1ccccc1	409075960	ZKBBQPHUULFMHZ-SFQUDFHCSA-N	524.396	5.556	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(Br)cc1	409123309	GBPNEYFZZKXVMF-QFIPXVFZSA-N	560.242	5.614	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409126685	MNZZQZFJHIOIHY-AREMUKBSSA-N	522.045	5.310	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F	409134301	NSWJJDGBTSZIHQ-MHZLTWQESA-N	519.617	5.186	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)cc1	409163636	VIVGQDLCIYYAME-AABVJFSESA-N	665.463	5.762	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)cc2c1	409185081	RQOGJAVBYXDSFH-NUJZUDFISA-N	513.377	6.490	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)c1ccc(Cl)cc1	409190671	PEJJFZMFEXTAHZ-BRJLIKDPSA-N	616.624	5.892	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCc1ccc2c(c1)OCO2	409198442	GAFXTWVWBRSSGU-DJKKODMXSA-N	570.237	5.743	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc(OC)c1OC	409223619	IXNAIYFTOWLNPS-UHFFFAOYSA-N	779.360	7.492	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc2ccccc12	409230535	FGKIXADPIILZRO-MTJSOVHGSA-N	581.388	7.754	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409247659	FJOORIRKJLNLDE-XKZIYDEJSA-N	588.329	7.390	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	409270371	DWPRLWQTIUYVHR-MHWRWJLKSA-N	573.216	5.914	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OC	409301394	FFRQAPIAWQMEFM-MBTHVWNTSA-N	609.882	5.216	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409309027	AEEHALBSUNUDDY-AAPHRLRXSA-N	586.350	7.274	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCc1ccc(Cl)cc1	409312948	OMACESMONQXSMC-HQDYHJHZSA-N	579.480	7.323	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1OC	409315248	USCYTUSIELLSML-NTFVMDSBSA-N	574.415	5.440	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409323056	MTYXZOJXHXZFCF-MBTHVWNTSA-N	572.958	5.909	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409323780	QKRUQTHQUQQMIU-CPDSRJINSA-N	551.854	6.796	50	40	KKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3ccc(Br)cc3)o2)ccc1Cl	409342312	BDXKWDKLYKUINM-RPPGKUMJSA-N	504.768	5.101	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1ccc(F)cc1	409381504	USZDJUZKZDVQFP-LFIBNONCSA-N	512.310	5.290	50	40	KKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1ccc(I)cc1	409383992	UEGPRAGMVUGJIZ-XDHOZWIPSA-N	513.429	6.965	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409385494	KXKCIUAERVVNPH-NSKAYECMSA-N	595.313	5.727	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409395004	IRTGRBFNRYWCEI-UHFFFAOYSA-N	645.351	7.960	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395569	PDMCEDSUIGWHMU-UHFFFAOYSA-N	765.629	9.211	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)c1	409395845	SKGCINNFQOYIPF-UHFFFAOYSA-N	699.758	8.144	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409398692	VEYKGOIZLDTADI-UHFFFAOYSA-N	618.487	7.742	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)N1CCOCC1	409402231	JGKGOIKTSWTONS-IDWIKUEFSA-N	626.710	5.005	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1	2341198	NSXCUERQBOGZAF-LQKURTRISA-N	534.483	6.063	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1	6906503	PQUSDUWAEFHGIA-PNQUVVCRSA-N	600.775	6.310	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	8384178	LEGADZXQKKKUPB-XHLNEMQHSA-N	507.656	5.037	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1cccc(Cl)c1)=C(C#N)[C@@H]2c1ccc(Cl)cc1	9075829	VHCWWFZAOKNEIF-QHCPKHFHSA-N	512.462	6.430	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9763203	SURRQAOTIPBHHY-NDZAJKAJSA-N	529.666	5.579	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccc2ccccc12	16157666	QSZNUBKWOSMYMN-OKCVXOCRSA-N	507.373	6.528	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	59856655	ZPIKDYNSBHMFEO-KCSSXMTESA-N	562.478	6.645	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1Br	59886651	TVQDASQPNPZELS-AMVVHIIESA-N	617.875	5.533	50	40	KKGB	
COc1ccc(C(=O)N/N=C(/C)c2ccc(O[C@H]3OCCO[C@H]3Oc3ccc(/C(C)=N/NC(=O)c4ccc(OC)cc4)cc3)cc2)cc1	96022847	BMCQBEXQNOHVID-LPYNYBIOSA-N	652.704	5.169	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1	98000126	HKRPTJADGANSGY-AREMUKBSSA-N	565.120	6.425	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(=O)OCc3ccccc3)=C(C)N2)c([N+](=O)[O-])c1	98048725	OSILNZCXZUCLPT-MUUNZHRXSA-N	605.072	6.068	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(F)c3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048749	YMGJKTNAGCICCL-HHHXNRCGSA-N	544.608	5.246	50	40	KKGB	
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC[C@@H]1O[C@H](C(F)(F)F)CO[C@H]1C(F)(F)F	100061742	RZEXCUSSDZJJHD-LYFYHCNISA-N	562.216	6.107	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccccc1	100122798	XTKVJGHMGVBCPB-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1cccc(Cl)c1	100853841	HHPKTDDHQQXXBN-WKIKZPBSSA-N	516.841	6.137	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1cccc2ccccc12	101037781	CZQDQCXHNDMXKI-MUFRIFMGSA-N	543.450	5.487	50	40	KKGB	
COc1ccc(C(=O)NNC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CCC3)cc1	103104460	BFJPXYNEOSGKQL-FXBPSFAMSA-N	556.018	5.392	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	105171118	ZTQNQFYGTXLYSO-LICLKQGHSA-N	557.198	6.244	50	40	KKGB	
CC(CI)(CI)CC#CCC(C)(CI)CI	150384966	JFCCZMWVXDFBEG-UHFFFAOYSA-N	669.892	5.523	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccc(Cl)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	150386720	NEKDYBIULBABJX-MJXLXAJKSA-N	647.968	5.706	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	150481265	NARBAAQCJAZNKG-SEBMTOOBSA-N	705.258	5.974	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Br)cc1	164706041	VZRLXIHFAAKFDT-KQWNVCNZSA-N	672.361	6.287	50	40	KKGB	
Cc1cc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)c(C)cc1Br	226385252	NMRCQAZVYBNJKU-GHVQHHFXSA-N	619.192	5.343	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc2n1Cc1ccc(Br)cc1	408541052	BDOICSZKTGYAIV-ZHZULCJRSA-N	514.379	6.004	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(C#N)c1C	408546037	DAKQSWQSIAXIDY-VXLYETTFSA-N	539.440	6.709	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c(C(=O)OCC)c1C	408546462	JSWUOJIMYVVUNZ-OEAKJJBVSA-N	532.662	6.153	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408566507	AGOYMZYDICQWAH-APSNUPSMSA-N	523.318	6.024	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408578725	ALRLEGNVVLXKRU-VXLYETTFSA-N	543.211	6.562	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1Cl	408589553	LWJJXGPGZGFJNH-OPEKNORGSA-N	567.621	6.116	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cccc(Cl)c1	408598425	AEXHQHBPWCXGNI-ZDLGFXPLSA-N	503.621	7.508	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1	408602289	CSHZULVMDIPOJR-KRWDZBQOSA-N	514.409	5.467	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	408615546	QLYLXEDRXFQAQD-XODNFHPESA-N	520.800	5.713	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408643952	QJNJWWMNQRTFKZ-RVDAZCDBSA-N	663.165	5.639	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408650075	ZICSTNBAJYVYRO-NDBXHCKUSA-N	719.770	6.203	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408676492	JHKVOEPDWONZON-FADJLKOXSA-N	520.721	6.926	50	40	KKGB	
CC(C)C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408691256	ZBSNQCLJZRZAAI-GFCCVEGCSA-N	654.128	5.078	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)cc2-c2ccc3ccccc3c2)cc1	408727145	UYZBHQFVLKHMOD-SEBMTOOBSA-N	571.080	7.997	50	40	KKGB	
O=C(COc1ccc2ccccc2n1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	408737566	DKNYPQBCTNZJEU-CCVNUDIWSA-N	508.347	5.245	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744940	IJYRBDINJLLUCP-YVLHZVERSA-N	640.646	6.674	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)NCc1ccccc1	408745826	AJNYHYCANWOGDJ-GRSHGNNSSA-N	665.225	5.606	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CN5CCc6ccccc6C5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751334	DXEUJIJZZIACDA-CQCVUDJWSA-N	582.748	7.234	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1	408753515	AKJDHHISRLQLQM-FBTAJRKFSA-N	622.585	6.333	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(I)cc1	408765498	XVZPJYNWLYCFLS-XFXZXTDPSA-N	519.682	5.658	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c(C)c1	408776694	PSOMIUIACYDHED-BKUYFWCQSA-N	509.391	6.170	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(I)cc1	408793606	FOKXDWDKKKCBFK-RQZCQDPDSA-N	623.672	6.840	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1cccc(C)c1	408797428	RPLWNBFAZHDZCP-OEAKJJBVSA-N	519.439	6.843	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408798150	UUTPFRZHQXLBPC-OEAKJJBVSA-N	606.314	7.888	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1cccc(Cl)c1	408808361	FSVBWJHBURLEAU-CAOOACKPSA-N	532.221	6.889	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1cc2ccccc2o1	408818948	ZCMPISKWECKGGS-PPDIBHTLSA-N	748.096	6.590	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408820457	XVRDRRRODMUPQW-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408831193	QGAHINHRYCNCAP-YBFXNURJSA-N	588.285	7.454	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408841461	JEARZWKYXYKFEM-AMVVHIIESA-N	555.538	6.086	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5cccc(Cl)c5)c4C)cc3)cs2)cc1	408841674	GOKUGHKTZIUBKK-VTNSRFBWSA-N	540.092	7.687	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(C)cc1	408849084	UZVKTVHVPUONDM-QDTIIGTASA-N	572.253	6.618	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC(=O)O	408857357	UKYDBCUOVWBHJW-UHBFCERESA-N	609.420	5.293	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Br)cc1	408865960	DYXXPOZFIFUTRE-NBCFERAOSA-N	613.965	5.717	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c(OC)c1	408870622	WGRIOENGEREWMO-KEBDBYFISA-N	586.280	6.031	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1	408876215	KAAURFVVLLJUNZ-BYNJWEBRSA-N	544.073	5.100	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc(Br)c1OCc1ccc(C)cc1	408884718	ZAWDDIVGHHFTJL-ATZGPIRCSA-N	587.539	7.298	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408893599	HCZLCYXLEZLBLR-DPWJMMOYSA-N	760.330	7.453	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)cc2Br)cc1	408904550	LGPCDWRRBQSOPX-WKIKZPBSSA-N	574.273	6.002	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408912570	QZNGELRORWEFBO-QXUDOOCXSA-N	572.061	5.451	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccccc1F	408922136	DKAAUELOWNBHEG-WOJGMQOQSA-N	539.357	5.810	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccccc1	408940763	CYEBPUBLFIXZFF-JGCGQSQUSA-N	642.778	5.278	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	408941833	QOTJCJLBQKCOCK-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408953003	LFPGPVIXSHHVTD-MZJWZYIUSA-N	689.129	6.320	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408953103	WVCBPUFTOIUBTE-MHZLTWQESA-N	855.449	5.268	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2Br)c1	408953841	QBAMMWSKQWTMJV-UCQKPKSFSA-N	514.423	6.084	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC	408971939	MLMVPDQICCRTJX-CYISTXKASA-N	651.385	6.198	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408973127	ZAZNXULONJJZRX-HKZWDWHVSA-N	709.498	8.455	50	40	KKGB	
O=C(N/N=C/c1cccc(Br)c1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	408974294	YPFMCSPIUWWJHO-YABZZONLSA-N	508.441	5.030	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408996346	DDQMQPYZKLHDLU-MDVINBTASA-N	669.119	7.818	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	408997259	DKQRYZHWWPALSM-PDCOQUBPSA-N	680.543	5.473	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2I)cc1	408998427	ULGSXMCCAIEUQR-WKULSOCRSA-N	691.263	5.728	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCc1ccc(F)cc1	409009071	UMJGNGCVBGABNS-PNQUVVCRSA-N	716.139	7.443	50	40	KKGB	
Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)cc4Cl)c4c(C)cccc34)c2c1	409040824	YUFCPVNRKDGOIZ-CVUIAOGPSA-N	625.987	9.554	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409042165	WLMCCRLYMIWBDC-KCSSXMTESA-N	583.511	7.659	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	409123950	JIIPVFZACCLCHO-KEIPNQJHSA-N	675.548	6.369	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccc(Cl)cc1Cl	409128659	GCXKAIGVXDZFAR-HSZRJFAPSA-N	609.247	6.499	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1	409163162	MRCFJRPEGSLRIV-KBVAKVRCSA-N	611.493	5.051	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409217173	ADSVSDIISLOUNO-QDNOZUHTSA-N	578.581	5.629	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(C)=O)cc2)cc1OCC	409226776	WVRCJMVYPVTACH-MWLSYYOVSA-N	523.973	5.079	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409256542	LYGQYEHIZFXQFD-WKIKZPBSSA-N	622.803	5.033	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1	409258676	YQHOPUKKRWTYLN-NVMNQCDNSA-N	572.832	6.305	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)ccc1OCc1ccccc1	409315762	WEGWFIUMRCIJAN-MZFJOGFUSA-N	559.460	6.770	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1OC	409315854	WJOIRLHWULQKGI-ZRGSRPPYSA-N	593.228	5.480	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409331076	DNWVKBFVROLLCI-LQNQUEJISA-N	572.530	5.655	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2c(O)ccc3ccccc23)Cc2ccc(Cl)cc2)c(C)c1	409371334	HNZACCHMXNWFIU-ACXHZZMFSA-N	550.080	5.465	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(OCc3ccccc3F)cc2)c1C	409372718	HMNHBXVTOZFMKH-ALQBTCKLSA-N	521.592	6.738	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(F)cc1	409387972	ZHYVHPPDHMHCQU-XODNFHPESA-N	572.412	6.453	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396846	BWLSOSGEWCDIAH-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397025	FFINCMRXDZQXFF-UHFFFAOYSA-N	547.611	6.534	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409399185	YFWMEZZHKAHVPE-UHFFFAOYSA-N	663.899	7.475	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409399241	YQWWALWPDPPJNI-UHFFFAOYSA-N	535.575	6.664	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409402355	JVYQQNFGKRFBJS-NFUYZNGSSA-N	703.384	6.504	50	40	KKGB	
COC(=O)COc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409403075	LTXQCNBXURXXAC-BVMLUPFRSA-N	657.461	5.195	50	40	KKGB	
CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(OC)cc1	1816038	XUVJNXWDWREIBB-ZCTHSVRISA-N	543.693	5.882	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)nc3sc4c(c3c2=O)CCCC4)cc1	1880861	FQZAHGOVZIVEQZ-VTNSRFBWSA-N	582.755	5.679	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1	2349700	OFHQNBHUEXMOKC-NDZAJKAJSA-N	512.683	5.540	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1	2621044	CQOBIJPSUPDQGS-FMFFXOCNSA-N	547.636	5.892	50	40	KKGB	
O=C(c1ccccc1OCc1ccccc1)[C@@H](Br)[C@@H](Br)c1ccc(Cl)c(Cl)c1	3129282	LSRGURPJYDJEJE-SFTDATJTSA-N	543.082	7.655	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1Cl)N2	4045290	ZBICCFULFLDWCM-ZHYCKYNOSA-N	515.418	6.985	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)c1	19948968	PEZPQNGITDXEIO-UZWMFBFFSA-N	521.642	5.955	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2cc(C)cc(C)c2)cc1OC	20232088	XOORTPSREGATQA-UHFFFAOYSA-N	529.703	5.224	50	40	KKGB	
C[C@]12CC[C@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O	42490732	ADFOJJHRTBFFOF-JSSYZSAGSA-N	520.390	5.299	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)c1	58927409	UWXTYICATCHUSQ-KBVAKVRCSA-N	502.083	7.421	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccc(C)cc2)cc1Br	59856872	MSMVTMRDOQXQBZ-UVHMKAGCSA-N	585.307	5.419	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2-c2ccccc2)c(OC)c1	97966732	XDEISDWNUQEYDA-OGLMXYFKSA-N	566.481	5.347	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100124142	ODVHQUDHMVTHDA-ATZGPIRCSA-N	589.039	6.112	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343551	NMJSDGFJOGSTCG-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	100475192	ODJCIRRWUHYJFK-LICLKQGHSA-N	546.299	6.501	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O	101500513	OUOYWOVKMDYWSO-PTJRPKGKSA-N	532.738	5.661	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C(C#N)[C@H]2c2ccco2)cc1	102808278	HEJXPUXEUORQRM-NDEPHWFRSA-N	542.661	6.002	50	40	KKGB	
CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341175	FRIRVWCSPOADIF-BYPYZUCNSA-N	702.080	8.870	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342112	AWLCINIGAGVNCB-REOHCLBHSA-N	742.023	9.022	50	40	KKGB	
O=C(c1cc(C(=O)N(CCCl)CCCl)c(C(=O)N(CCCl)CCCl)cc1C(=O)N(CCCl)CCCl)N(CCCl)CCCl	150368013	ISBSCKBIYXFYJH-UHFFFAOYSA-N	750.206	5.366	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538821	CCUPQTZALSVUQR-CAQPMQTCSA-N	575.459	6.388	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2I)cc1	408542446	JMXLAYRBUWHABE-JAIQZWGSSA-N	538.341	5.423	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543142	PLECAOXHQFYDPX-HAHDFKILSA-N	564.469	6.753	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	408580151	AMKJKTZBIYIWGL-CPNJWEJPSA-N	514.397	5.688	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408613118	ZIXUYSKUJPCAEA-MRXNPFEDSA-N	534.827	5.731	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408677927	WAQYSFUKYPUPMZ-LQKURTRISA-N	600.413	5.151	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	408718106	JQYJPXGZAIULNI-RPPGKUMJSA-N	506.183	6.047	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408728577	OYSFCBMKKLHTQA-UVHMKAGCSA-N	522.226	6.036	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408745076	PFDLHQKQRJYWKD-UYRXBGFRSA-N	511.803	6.626	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	408746882	XFQWIOARJROFKU-IUXPMGMMSA-N	625.144	8.042	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408752202	CCHUCJLCCIONIX-YVLHZVERSA-N	593.646	6.832	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408752697	JLBRVASCAAMKHA-SOFYXZRVSA-N	546.204	6.609	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1)c1ccccc1	408774959	ZBJWPHPGLCALCP-VKINUSACSA-N	546.671	5.265	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	408782737	IYVFOTRMQPOECL-RWPZCVJISA-N	528.417	5.198	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408794309	HZQBLNWMRRYBKU-KEBDBYFISA-N	574.302	7.896	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1C	408796718	PRGQIAWVLFOYAQ-QGMBQPNBSA-N	703.145	7.944	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408802726	GPTGRANSHYSWHR-BUVRLJJBSA-N	602.472	7.449	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Br)cc2)cc1	408807270	GTPLMGFOJBIDQD-KGENOOAVSA-N	535.394	5.759	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccc(Br)cc1	408808527	JGOQYAUGQZYJPW-DEDYPNTBSA-N	525.830	6.934	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)c1	408837344	CREIIXDZGFESKL-JWGURIENSA-N	562.047	5.878	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccccc2Cl)cc1	408838510	XGBSEINUQIJZCK-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408840470	BLLKCXMSRCEXFN-FJEPWZHXSA-N	593.503	6.330	50	40	KKGB	
COc1c(Br)cc(Cl)cc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1	408840723	FEXSLEBRKGPXSA-JQAMDZJQSA-N	547.784	6.023	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(N)=O	408843763	ACUVJVSHAIQXEG-GDNBJRDFSA-N	524.813	5.023	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408844155	CGYNDNDDEVQWHE-MWLSYYOVSA-N	539.504	6.213	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2I)cc1	408845982	QDVYBDYJLMWPHX-XJECJHNESA-N	737.461	8.881	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408846783	ZAACNYDEIDXCKH-KQWNVCNZSA-N	624.546	7.230	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408849412	YIICDCITVVRZLW-AABVJFSESA-N	711.819	8.315	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cccc(Br)c2)cc1	408858152	MXNWITMQYMBQLK-LQKURTRISA-N	597.447	5.271	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408860274	XQPHXBFGDHHIJS-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1Cc1cccc(F)c1	408870879	XGESWETUSQVBMO-SRZZPIQSSA-N	507.403	6.740	50	40	KKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Cl)c1	408875011	HKYFYKVADKUTFD-OGLMXYFKSA-N	507.033	7.672	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccc(F)cc1	408879835	FQFKMIAHAGMXON-MWBNBJEGSA-N	613.568	7.559	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408887696	SMVXTMVXMLUDPI-YBFXNURJSA-N	600.447	5.686	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1c(Cl)cccc1Cl	408889332	CPVNZNIDQFAUGP-OVCLIPMQSA-N	581.239	7.732	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1OCc1ccc(Cl)c(Cl)c1	408894835	JEVQJLBZRYDJCP-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	408901013	ZFVGYLTWBIENQE-CPNJWEJPSA-N	618.449	5.320	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccccc1C#N	408911178	ZBHHQFNPCYTKKL-QDTIIGTASA-N	527.806	6.026	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408926831	YRQOKGKYYRTLML-GZTJUZNOSA-N	638.418	5.748	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408940383	CFLPJYASPNBMRZ-NDEPHWFRSA-N	736.472	6.229	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408960983	KTIKKFRTZXXCKS-RPPGKUMJSA-N	569.324	5.363	50	40	KKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4C#N)c(Br)c3)oc12	408971095	LYVADADTXRVQJQ-CCVNUDIWSA-N	504.340	5.418	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1ccccc1	408978402	ZLKMVZPIJYIEJS-QPCJEUAISA-N	532.422	5.545	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(Br)cc1	408982086	FODONXYLCHTOSP-BKUYFWCQSA-N	600.738	8.027	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408993661	WZSNYVSEZHFSBJ-OUBUCNEISA-N	603.510	6.016	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1C	409001813	KUJVYQXZHRNXNS-UCMJSZAQSA-N	621.601	5.857	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1	409014068	LXJGUALFJXQGJF-QULOMXMFSA-N	645.562	7.089	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)ccc1OCC(=O)Nc1ccccc1OC	409020065	LTIYFMHMAQAHQJ-XODNFHPESA-N	621.282	5.106	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl	409028824	UIULQZHQIHRXQB-ZPOUEADKSA-N	599.540	6.498	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OCc1ccccc1Cl	409037781	NQZLXASSWKTNIQ-JFLMPSFJSA-N	548.808	5.615	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)c1C	409080830	NVNJJARIVRQNPO-LZYBPNLTSA-N	616.222	6.983	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409122109	ZENYYDAZGKHUOJ-ATZGPIRCSA-N	638.146	5.935	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409147293	WECPOVNUAXLGHP-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)NC1CCCC1	409191404	GPNCSPTZHMUAPE-SXGWCWSVSA-N	541.216	6.143	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1	409207952	DGUCLJUWPNVFPX-KKMKTNMSSA-N	554.293	6.586	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)CSc2ccc(Cl)cc2)cc1Br	409208658	DNCLXJVFFMISOL-YVNNLAQVSA-N	518.658	5.672	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccco2)cc1	409223189	FRNKMIDGIXFCEL-BVMLUPFRSA-N	566.448	5.442	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409227039	OKAYSEPFEKZIML-CTPANLQCSA-N	525.830	6.474	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccc(F)cc1	409253444	UOEXZKVCKFLUSZ-KKMKTNMSSA-N	594.450	5.057	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409256888	MRDMGCKMWVJLSG-LPYMAVHISA-N	609.464	6.178	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1C	409259641	BVGGVTCTXDOWAS-AEUUOICLSA-N	654.590	7.714	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409261354	APEFSSKIQBFWTJ-VCHYOVAHSA-N	540.403	5.969	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409265152	NZYYTQNDYLVKJS-CDLBOOTPSA-N	780.088	8.609	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1	409311478	GOPDCXNPOKQPLF-RBUKOAKNSA-N	556.265	5.436	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)ccc1OCc1ccccc1	409318968	ZBTXBMVUCLQKLB-MZFJOGFUSA-N	515.009	6.661	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)ccc1OCc1ccccc1	409318994	ZMRJSPHIQDKHEE-APTWKGOFSA-N	573.487	7.078	50	40	KKGB	
COc1cccc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1OCc1ccc(C(=O)O)cc1	409336299	NGVQZPKJMHCABC-FZKWRIDDSA-N	553.659	6.596	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	409364802	PLNVYUWXLMMJIL-LJUMEUDFSA-N	563.448	5.900	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1	409366002	XGAXVPVPUBZJDU-LDADJPATSA-N	615.399	5.401	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1Cl)Nc1ccccc1F	409382758	OPHZNSQVPMPRHY-VPUKRXIYSA-N	623.660	6.532	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccccc1F	409385293	JAUVBUNYINSVFD-XODNFHPESA-N	572.412	6.453	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396112	AXRFGLUKQCJIRZ-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)c1	409396588	ZENVFXOIULQKAM-UHFFFAOYSA-N	679.796	8.613	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(OC)c4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409398187	RQIWRLRRJGHGHQ-UHFFFAOYSA-N	598.055	6.887	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409398705	VHVMRACKGHFMAD-UHFFFAOYSA-N	600.444	7.118	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Br)cc4)c4ccccc34)o2)cc1	409403222	MEHXHZUOGBEKJI-CLHYIUPASA-N	635.562	8.104	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409404180	PDONPTLYJNYNCD-AQLQTECXSA-N	570.429	5.889	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCC(=O)Nc3ccc(Cl)cc3)o2)cc1	409406483	WWVBSHJKYNVOLU-CLHYIUPASA-N	640.140	6.767	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	1529544913	SRIPJVGCFLYXKK-RZNGARSMSA-N	657.576	5.466	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Cl)cc1Br	648674	QVVMSVOGFACXMN-QHCPKHFHSA-N	543.845	6.141	50	40	KKGB	
C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4cc(Br)ccc4OCc4ccccc4)c(=O)c23)C1	1783484	ZHKCEWWCUMUOOQ-XHUAFICTSA-N	565.493	5.075	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1	2553625	FMKADRYKUQBVAP-GZTJUZNOSA-N	548.384	6.626	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Br)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1	2888285	WIKUGQIWBDTKHF-CKVBZJJFSA-N	522.424	5.093	50	40	KKGB	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)Nc1sccc1OCc1cccc(C(F)(F)F)c1	3118817	XHKQUQJUNQJJJN-UHFFFAOYSA-N	510.847	6.562	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C/c3cccc(Oc4ccc(Cl)cc4)c3)cc2)cc1	3230379	GRWHJWAVKIWQTR-ZCTHSVRISA-N	548.064	6.025	50	40	KKGB	
CCOc1ccc(C2=C(/C=N/NC(=O)CSc3nc4ccccc4s3)[C@H](c3ccccc3)c3ccccc3O2)cc1	8399777	VMWYKFQKHTYJJI-FMLCXWAVSA-N	577.731	7.525	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccccc1	12411511	CAPYDMCGKZVORQ-FMFFXOCNSA-N	530.665	6.547	50	40	KKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1C	12543061	FHLZKKCSFFIYNV-HYARGMPZSA-N	509.553	5.857	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(N/N=C/c2c(OC)ccc3ccccc23)cc1	12571395	VORWUJZFXCZFDK-CRDPYYQKSA-N	502.574	6.220	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	20059308	OMWWRBNQSTWDQT-AJBULDERSA-N	507.615	5.723	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)c2C)c1	20243879	KLVSYEGZOGFBQX-MUFRIFMGSA-N	523.475	5.070	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc(Cl)cc1)=C(C#N)[C@@H]2c1ccc(Cl)cc1	40486434	OQUBDJAAEOKWKE-QHCPKHFHSA-N	512.462	6.430	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1	58919321	CIHTXKVQDTVBCE-CVKSISIWSA-N	502.061	5.024	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)s1	59222168	HQWDDHYMLGPJKD-IPPBACCNSA-N	538.004	5.163	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	97961016	VUCNCEDGZMCUQQ-DPNNOFEESA-N	619.313	6.048	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(F)c1	97972271	UPYPCUULVQCZQY-PXNMLYILSA-N	550.211	7.028	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(OCC(=O)N2CCCC2)cc1	97980787	UMERHQQCMZEFMU-AJBULDERSA-N	544.702	5.744	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl	100120568	PMBOZSCDKUTGCJ-IBBHUPRXSA-N	542.919	8.111	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)c(OC)c3)c2C)sc2c1CCCC2	100209971	QGRFPXPDGUBSJW-CCVNUDIWSA-N	605.498	5.588	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)Nc1cc(Cl)ccc1Cl	100394947	LEPONHGAQRNSAC-VRINRKRESA-N	581.132	5.270	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	100405802	AXWOWDWKHILZBE-FABQOPTDSA-N	602.034	6.283	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)[C@@H](O)c1ccccc1	100451231	IUXZTFYAXUTQET-RULLNRLDSA-N	559.651	5.939	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1Cl	100952472	DVYVWGXGYSJXFG-HNSNBQBZSA-N	572.086	6.309	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc(I)c1	103889195	COJXSYYEHOAGHM-YBEGLDIGSA-N	536.200	6.551	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\N2CCN(/N=C\c3ccc(N(CCCl)CCCl)cc3)CC2)cc1	104084562	YVQPPPUFCBWGDQ-RYJWMXFHSA-N	572.412	5.240	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI	150341199	ROBJGVIBSNEVQR-UHFFFAOYSA-N	724.033	8.727	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342058	SIHZPGOQCOBOCL-UWTATZPHSA-N	892.044	10.928	50	40	KKGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(Sc3ccc(/C=N/NC(=O)COc4ccc(OC)cc4Br)o3)o2)c(Br)c1	150348358	CBNDMOSHOMGBIY-GCFMLEDASA-N	736.395	5.624	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	150367651	DWOYSZCYVRLJCA-QXUDOOCXSA-N	639.561	5.395	50	40	KKGB	
CCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCC	150382826	WKUXMFOLNOEMHL-HQMDNVNISA-N	736.799	11.267	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795446	SCLYFRLPUGODHK-IRXDYDNUSA-N	828.289	12.111	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408541112	DUJQODYRFYPJPQ-GRSHGNNSSA-N	547.232	7.496	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc3ccccc23)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552871	LHIHMSHDDDUDBB-AQLQTECXSA-N	601.284	6.699	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc2ccccc2c1	408553829	PTERPBSMSASHTI-ZVHZXABRSA-N	612.549	7.938	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl	408565958	COYDOVCCCYVOFK-BVMLUPFRSA-N	572.286	7.651	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408581931	ZZBNSYUSFGWPLT-CXUHLZMHSA-N	567.745	8.285	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(Br)cc1	408599459	VDRUIHJTJGCTCW-WKULSOCRSA-N	574.313	6.861	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1C	408601483	BBXRXJHIENMSTN-XKJRVUDJSA-N	547.826	5.370	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1c(Cl)cccc1Cl	408601909	CGDKZVDTAORZII-KRWDZBQOSA-N	514.409	5.467	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)c1	408639213	WLNLTCIJQSFLJF-CUNXSJBXSA-N	552.042	6.826	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1	408644345	QZORTAHWIVUIBF-FZDBZEDMSA-N	635.111	5.295	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21	408655338	RONKJOMGKLSNAU-OUWXYEHJSA-N	533.839	5.428	50	40	KKGB	
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1	408681246	HMCCNPJHVRDFQE-DJQNJWNESA-N	557.750	5.121	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(Br)c(Cl)c1	408688526	QQTHYMXWUIKGNX-DJDHSFSDSA-N	588.669	5.012	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408689715	YXHICNDXEWTYGD-NCOADZHNSA-N	623.556	6.126	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c1	408745146	KEYYZKXMOWNCIM-ODLFYWEKSA-N	541.829	6.634	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OCC	408752630	FQBZQBCQLYYMMX-OCSSWDANSA-N	594.534	6.472	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1Cl	408754523	NTOKNEKQNDXXCH-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1	408760729	FBNDHVUGRIXNNQ-LGJNPRDNSA-N	561.230	5.002	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408766801	RYKMFHHCTHCESX-IPPBACCNSA-N	585.398	5.245	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)c1	408777172	WCDGTQYXKZDFGB-UUYOSTAYSA-N	516.395	6.233	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Br)cc1Br	408784542	UMKNSOPXTAQYIO-WQRHYEAKSA-N	548.275	6.155	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	408788678	LZMZCNRDLVVPEH-XDHOZWIPSA-N	570.237	6.123	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408791804	CSOLDVPWMXXVNQ-MFKUBSTISA-N	660.464	6.702	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1C	408794917	UCPKGZQKCFEWGH-QGMBQPNBSA-N	703.145	7.944	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408797049	QUWBCKVEGVHFHL-GIJQJNRQSA-N	507.886	5.080	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1	408817275	VRTYDWSSDBSJIE-OCKHKDLRSA-N	576.274	6.575	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4ccc(F)cc4)cc3)cs2)cc1	408839818	WNMQNGMWQRVUKN-KVAAJVFYSA-N	615.528	8.107	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)cc1	408845229	PRCHFIBLFLYWQU-QNVXDBMFSA-N	710.879	9.383	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1cc2cc(Br)ccc2o1	408845429	MVZRKDZYNLTEJU-VROXFSQNSA-N	522.580	6.635	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408849614	ZNXXWRMSVRUXFD-WCMJOSRZSA-N	656.933	6.986	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408853581	PWOKDOTZPWWWIN-VYYCAZPPSA-N	538.354	5.845	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	408871987	ITCIYCPSOJJISU-LZYBPNLTSA-N	525.741	7.790	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2Br)cc1	408876492	LOEZGUNFSJQNDV-FYJGNVAPSA-N	505.368	5.381	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCc1ccccc1	408877410	VSWYCPIDGVKLRE-PYUQNASOSA-N	518.395	5.155	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)c2C)cc1C	408877783	YMXBDRKRUKGCTD-FADJLKOXSA-N	533.720	5.793	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408882365	OUXPXYCAYHVTMF-JJKQSNDFSA-N	664.460	6.857	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1	408890606	WIZQLAIGGYGYTR-CPNJWEJPSA-N	525.388	6.303	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OCc1ccc(Cl)cc1Cl	408890731	YGLJBAJSTJOFAF-CXUHLZMHSA-N	522.215	7.433	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br	408897416	WTRCLZMVOYMHLC-WUXMJOGZSA-N	541.583	5.884	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408904268	HICJBHCACHVSLE-WKIKZPBSSA-N	561.820	6.452	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	408907138	LFFWVLXRSFFQOZ-KBVAKVRCSA-N	567.033	5.551	50	40	KKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408940843	VHCTUTNHBBYTHN-BRPDVVIDSA-N	510.593	7.543	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)c(OC)c1	408950303	GUHXXBAICBCHIA-KJPNIZKVSA-N	665.541	5.065	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc(Br)cc2)cc1Br	408953656	XSGFHQJJRAFUCZ-GDLZYMKVSA-N	746.478	5.684	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1cccc(C)c1	408979308	MJWGGGBQQQROHH-BJNWWJADSA-N	521.617	5.594	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccc(I)cc1	408988277	HNBVZJIONHAQBN-HYARGMPZSA-N	598.868	7.115	50	40	KKGB	
COc1cccc(CC(=O)N/N=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)c1	409002406	UMDJSEKFIWRKIY-ULPWCQAASA-N	631.148	6.807	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c3ccccc32)c1	409010639	CXJFNDRVMZDZMU-KCLRBLMTSA-N	584.633	5.418	50	40	KKGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1Cl	409014556	QDJCCORQEGZFOP-FAJRRQPCSA-N	504.606	5.512	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409015979	TUZRBLAEXNOEOG-PQKVGRGHSA-N	617.746	6.863	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	409033372	FBEKYPQRRYYCST-OKCVXOCRSA-N	579.520	7.186	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409034055	GYEOMOKDYKAIPR-KCSSXMTESA-N	539.060	7.550	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)ccc4OCc4ccc(Cl)cc4Cl)cc3)cs2)cc1	409044539	GVQRIKAYAMWPKA-QNVXDBMFSA-N	621.977	9.165	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(F)cc1	409049479	RBSQXKYXLFZBFP-HNSNBQBZSA-N	505.549	6.392	50	40	KKGB	
CC(C)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br	409059650	WDMPRERIWBVEAU-VGOFMYFVSA-N	512.629	6.445	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc2ccc(C)cc2nc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409119309	RXGCFGILFFIYNY-AMVVHIIESA-N	616.483	5.421	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12	409181409	CMOLRWNIBDOMAW-JTBXPPDNSA-N	611.701	6.889	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)Nc1ccc(Cl)cc1	409190010	PSXGIFDAHLCWJJ-BOPFTXTBSA-N	546.646	6.990	50	40	KKGB	
N#C[C@H](C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1	409206262	SEUZWSOQYOLTPW-SODVTCOWSA-N	527.216	5.548	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409217380	BXPNPQBHIYMIML-CIAFOILYSA-N	595.437	5.788	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)ccc1OC(=O)c1ccc(Br)cc1	409217713	AGHFDQNTTVSTDR-UHFFFAOYSA-N	616.468	6.092	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1cccc(C)c1	409217959	GGYQSQMVRRECKS-UHFFFAOYSA-N	600.469	6.392	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccc2ccccc2c1	409223563	GEYBKZROGDLHMB-IPPBACCNSA-N	565.493	5.839	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409225973	RWTHTVSBVVTUKK-MHWRWJLKSA-N	514.340	5.704	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Cl)cc2Cl)cc1	409225991	RCGXLCAYLNJUTM-NUJZUDFISA-N	557.390	5.869	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cccc1[N+](=O)[O-]	409226525	UNAOXVHWNSVLGH-KYHGBAKBSA-N	586.988	5.801	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)c2)ccc1OC(C)=O	409226549	ULLLBPLYBZGGIK-UHFFFAOYSA-N	723.374	6.689	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	409226831	XHCNCHNCJLTJBS-NLCHZTQKSA-N	666.519	5.052	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409261682	AGZUXDRAAWBGEZ-MUXKCCDJSA-N	569.412	5.154	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	409264250	OBFTVVUYZXGVER-MHWRWJLKSA-N	534.321	6.575	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1	409265007	MDZYGSKFAWFYEJ-FYJGNVAPSA-N	625.463	5.879	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409267352	UBNHGEFKZXZZCJ-SXGWCWSVSA-N	632.798	5.425	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OC	409311361	ZMSQGWISOFHFDT-LQNQUEJISA-N	584.467	5.427	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OCC	409313920	REIKAMVJAZPMCI-UHBFCERESA-N	540.016	5.236	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)cc2Cl)C2CCCCC2)c(C)c1	409368705	IUWVIIXERHWXNV-VYYCAZPPSA-N	510.487	5.392	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4Cl)c(I)c3)[nH]c2c1	409373342	HEQLCGVSNRMJIF-WQRHYEAKSA-N	525.777	6.773	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1	409375528	MCUNABHGLUZIGZ-ZMFRSBBQSA-N	561.230	5.002	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3Cl)c2c1	409394666	DJNDXMQEFCHJKO-UHFFFAOYSA-N	771.846	8.031	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(OC)c(OC)c(OC)c3)[nH]c12	409395556	PAGTZOKFNIZUBD-UHFFFAOYSA-N	769.874	8.585	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409396790	BEMBKFBXKMWZNN-UHFFFAOYSA-N	636.919	8.186	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4ccccc4Cl)c4ccccc34)o2)cc1	409400662	DXUUXKDGIZWILO-WBIBEUCMSA-N	577.084	7.686	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1	1082831	HJAHUOAHUUDBQE-KBVAKVRCSA-N	553.059	5.617	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	2670811	VDJIDRHSBNBYHI-OVCLIPMQSA-N	559.818	7.408	50	40	KKGB	
O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccccc1OCc1cccc(Br)c1	3167034	HNCIRDCQWIDPDD-FDAWAROLSA-N	545.433	6.136	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	3232212	OAVPJGMGWRGZAE-HMMYKYKNSA-N	555.384	6.154	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(Cl)c(Cl)c1Cl	12643880	OTQGNDCNOGKXLE-AOKJGSDRSA-N	510.849	5.969	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc(Cl)c(Cl)c1	97959593	IIGUAEPCSRJAMG-FOKLQQMPSA-N	517.916	6.423	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc2ccccc12	97960690	HBPFSPNVEDJYFD-UDWIEESQSA-N	629.281	7.884	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	97962930	LWVGQPZTCYUHEZ-LFIBNONCSA-N	516.178	6.521	50	40	KKGB	
CCCCC(CCCC)=NNC(=O)CNc1c(Br)cc(Br)cc1Br	98001564	ASUJPXNMQKMYBF-UHFFFAOYSA-N	526.111	6.239	50	40	KKGB	
COc1cccc([C@H]2C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CC(C)(C)C3)c1	98006082	ZFTFLWXKAIBIPJ-QHCPKHFHSA-N	597.688	6.799	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(I)cc1	100063746	KGKFUNZMYQCXHI-MWAVMZGNSA-N	551.472	5.900	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1C	100130105	NFENFFJUPOHNEG-QXPFVDMISA-N	542.705	5.095	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100239840	RKRGPNKQTDXFSU-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1Cl	100336182	HKTSOBJTPZWIAB-JAIQZWGSSA-N	572.830	6.695	50	40	KKGB	
Cc1c(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)c2ccccc2n1Cc1ccccc1	101484101	ZTJQYGDJWUTCQF-MZJWZYIUSA-N	521.371	5.198	50	40	KKGB	
CCCCCCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	102970626	OAGOYZQVIDOAEK-DARPEHSRSA-N	514.682	8.847	50	40	KKGB	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	102995329	LKLTVXXPPZSMPL-UHFFFAOYSA-N	554.864	5.737	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Br)cc1	103884224	KOSUVQZMLRFHGQ-KQWNVCNZSA-N	625.361	6.445	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccccc1O	150364155	WXWULLZEXFZLAA-KALUYTGESA-N	667.068	6.251	50	40	KKGB	
C/C(=N/NC(=O)[C@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1)c1ccc(F)cc1	150391677	OBOPRPVDHANKTK-QMMNGIHHSA-N	628.515	5.953	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCc1ccccc1Cl	150427533	BWUMDFOIXBJQGS-MUXKCCDJSA-N	627.704	6.378	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1Cl	150469210	UMPNDDIJNXDWDL-CNCDYAKUSA-N	649.940	5.728	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	162478400	XOWYCCQKHVMBKU-KVAAJVFYSA-N	674.976	6.483	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCC[C@H](I)CC(F)(F)C(F)(F)F	169795323	RJZVSTZWRRNYFZ-IUCAKERBSA-N	616.059	7.720	50	40	KKGB	
CSC(=S)O[C@@H]1C[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C	195506608	KRWSBTMVAZGCMH-QRVBRYPASA-N	559.790	5.421	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)ccc1I	260567613	MBOFEESJKBZPJK-MWQSPYHUSA-N	533.454	5.873	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538288	KJXBOEOLNKXBSC-QRQIAZFYSA-N	548.639	7.024	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC	408540400	RGYBGWSXDSGPRW-SNCSUOKWSA-N	532.681	7.176	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1	408541639	HARMFICGBOJHQM-MTJSOVHGSA-N	525.342	6.031	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1cccc(F)c1	408569443	NOVGPBVCXXYCDA-FJEPWZHXSA-N	561.100	6.465	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1I	408589592	MAKPCQNPXDQGRI-JVWAILMASA-N	513.423	5.689	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3c(Cl)cccc3Cl)CC2=O)cc1C	408605492	KKKZSSVKRGWJTK-KRWDZBQOSA-N	532.855	6.339	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1	408605666	MTTDXSKOSWFDTK-XQNSMLJCSA-N	537.620	5.107	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408640772	ISBWQIZEETUMNE-YCAMKHIRSA-N	781.679	6.484	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408643774	PYDLKHKETNDMDQ-PIDWITHXSA-N	631.148	5.544	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408658124	UXYYXJAZRDUIFH-PTGATOOUSA-N	794.236	6.139	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3OC)c2-c2ccccc2)cc1	408740280	AVMOTPRKYOCPJE-PPFNPFNJSA-N	515.613	6.983	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc2ccccc2c1	408753012	GVTYOOZCWDYUJS-MYYYXRDXSA-N	602.326	8.218	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1I	408755309	JMSQOXGXKNYPOX-STZFKDTASA-N	609.261	7.332	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OCc1ccccc1	408757395	ZKWVOSCAHWWBLR-ALQBTCKLSA-N	642.578	7.262	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCc1ccccc1Cl	408787905	ARFJWWUHECWVCH-ULPWCQAASA-N	588.751	6.315	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(C)cc1	408789217	ONGZFZIMQMOZNT-SRZZPIQSSA-N	539.857	7.243	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)ccc1I	408790944	SBPRWZSQJNICOD-WYMPLXKRSA-N	536.211	5.534	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408791354	WKNFKHWNSQJXTD-LZYBPNLTSA-N	625.542	7.752	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1	408793143	DGHLJPWVQGKGAB-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1C#N	408795201	KNZIUMISRBZTOR-QGMBQPNBSA-N	512.780	6.652	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408795349	LOLJGQQRRFYXNO-GIDUJCDVSA-N	648.111	8.038	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc2ccccc2c1	408811613	ADTGYDSTOORJKZ-UHBFCERESA-N	576.390	6.542	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2	408812189	CLYOZSOSYNQIHS-FBHDLOMBSA-N	565.420	5.387	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1	408836305	PWARZLGKWCUNKV-VQWGYEAZSA-N	796.755	6.586	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408838524	XLDVSTJQPYWGPV-BIZUNTBRSA-N	623.087	5.572	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(Br)cc1	408838991	LJHLBIGLODHNLE-XZYGTATASA-N	641.591	8.366	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2cc(Br)ccc2o1	408857831	WUWKSBWWAPXSMX-AQLQTECXSA-N	612.705	8.107	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2c(c1)OCO2	408858018	RCNAVIDUQPMBDM-GKVNEZTPSA-N	569.661	7.253	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408858905	QUAJWFXZIGZODD-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2cc(Cl)ccc2C)cc1	408867258	LAKDNZZPEWOJMP-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3Br)c(OC)c2)cc1	408870993	WPKJSBVGECAYEQ-YBFXNURJSA-N	631.264	5.985	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408875948	ICWGXHKVFJASDZ-AATKOCIRSA-N	793.873	8.670	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1c(Cl)cccc1Cl	408883136	RPYBACAZZKTTJM-OVCLIPMQSA-N	615.536	8.296	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408885019	WQVMHPDFWMLZLS-XDHOZWIPSA-N	561.819	7.029	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OS(=O)(=O)c2ccc(C)cc2)c1	408890052	NCAVDOOWTJPYAU-LDADJPATSA-N	516.497	5.336	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(=O)c3cccc4ccccc34)c(OC)c2)cc1	408899226	OFPJFLWNAANWKR-PXLXIMEGSA-N	599.437	6.552	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904680	NAGCWBQOHUTGHJ-BCHBDCPOSA-N	591.187	6.348	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1	408905017	RYZHVIWMOVWRQH-QXUDOOCXSA-N	560.997	7.883	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)ccc1Br	408905570	ZIPIIALWRAQYEL-ZMFRSBBQSA-N	560.246	5.693	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OCc1ccc(F)cc1	408921483	AZHYDFIRXICJST-LZYBPNLTSA-N	505.760	6.919	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2C)c(OC)c1	408921986	DCCBCUBBYYJFSB-UVHMKAGCSA-N	517.807	5.771	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1	408952005	UWEYSAMRTMUWDS-YTTGMZPUSA-N	608.720	5.304	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)c(OC)c1	408957377	UGBHUBCLUQABJX-OQMZEJBMSA-N	713.557	5.295	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1O	408972203	NHPSRBDMHWAOSJ-XLJKEPJDSA-N	579.278	5.107	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)c1	408997891	OZOVIJMWCPGSNM-VTNSRFBWSA-N	590.861	6.646	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Br)cc3)cc2)c1	409013790	VPLCHJUAXQYLMP-SVGYCHNTSA-N	702.561	7.612	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409022696	PPHYWISKKFJRBP-KYMQWJLESA-N	629.665	7.349	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(C)cc1	409039390	QVCWCOASBOOTGS-FZKWRIDDSA-N	536.031	7.215	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409087792	HRDUPTZELRZSLZ-LICLKQGHSA-N	545.901	7.312	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c2ccccc2)cc1OC	409110583	FFTXLBSFHUBCQZ-FABQOPTDSA-N	703.011	6.053	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1cccc(Cl)c1	409157108	UHHPYHOAQUBWIG-VFLNYLIXSA-N	563.825	5.152	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1	409185754	POEGVBJNAHDMGB-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12	409220238	ZVBJFEHIWGQJND-LMTOVYBFSA-N	596.086	6.389	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c2)cc1OCC	409222358	CODIRPFSQLDBOI-UHFFFAOYSA-N	674.504	6.211	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409242677	SDDWYERSMQYXID-DBFSUHOCSA-N	509.792	6.456	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	409243269	RKMZFTCDSMOGTR-XKZIYDEJSA-N	551.521	6.865	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)c(C)c1	409248004	FQBHCVTXZBGACF-NVMNQCDNSA-N	539.375	6.082	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409254108	HSRLMRZPFUPIJP-BOPFTXTBSA-N	636.273	6.560	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2C)c1	409255489	LADLAASNBSOILI-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409258085	RHKZZHAKEKUVBN-MBTHVWNTSA-N	524.415	5.246	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1C	409264790	QHFSYPXUCYJDSC-FBNOCWMFSA-N	510.421	5.692	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OCC	409333895	KFKJIIMHBLISTF-LJUMEUDFSA-N	645.494	5.577	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	409364178	NICRKKZPRADXQX-DHRITJCHSA-N	502.206	5.863	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409374556	SVZKNWALPDFBAJ-MTJSOVHGSA-N	504.417	7.558	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Br)c2)c1C	409377187	FMECRNJJEUEMMK-UNOMPAQXSA-N	522.374	5.768	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396314	LBBPHGMVDFZXHC-UHFFFAOYSA-N	623.990	8.028	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397479	KIAFFUVFKXFOHA-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398878	WAJQYRLPOMNUAW-UHFFFAOYSA-N	632.500	7.541	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409398921	WMXHNSCTLZOYEE-UHFFFAOYSA-N	547.611	6.534	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409403773	NWQIQFHOHUNBBI-NFUYZNGSSA-N	658.933	6.395	50	40	KKGB	
COc1ccc([C@H](c2cc(OC)c(OC)cc2P(c2ccccc2)c2ccccc2)N(C)[S@](=O)C(C)(C)C)cc1	1857795247	XZIIIQZBOIATGK-SFLJLTPASA-N	575.711	5.954	50	40	KKGB	
C[C@@H](Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	1785376	HBWFTLAJEDVSJM-KFELAIKBSA-N	546.693	5.193	50	40	KKGB	
O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccc(C(F)(F)F)cc1	1901541	CUUJPWSTNPQHNR-PGGKNCGUSA-N	502.996	5.745	50	40	KKGB	
N#CC(C#N)=C1c2cc(S(=O)(=O)Oc3ccccc3)ccc2-c2ccc(S(=O)(=O)Oc3ccccc3)cc21	2293321	RVVAYOPAIOSBJB-UHFFFAOYSA-N	540.578	5.051	50	40	KKGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3c(C)nn(-c4ccc(F)cc4)c3Cl)cc2)c1	3239144	XTBVYCXMTWMSQF-KPGMTVGESA-N	519.020	6.748	50	40	KKGB	
Cc1c(/C=N\NC(=O)[C@@H](NC(=O)Cc2cccs2)C(C)C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	8451669	JVVXPNPRHQEFJJ-YSYVJNGDSA-N	555.531	6.200	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(F)c1	9323124	FNZSEEGUXQIXIR-VYVUJPJFSA-N	511.167	6.654	50	40	KKGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)CC1	59401561	WQPBPKUMLFLDLL-UHFFFAOYSA-N	510.487	5.897	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	59646674	TXNUECLQWUUDSU-BIZUNTBRSA-N	623.087	5.572	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl	59856747	ZKUFOVOYNPFNAY-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
O=C(N/N=C1\C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccc(Br)cc21)c1ccc(Cl)cc1	97966610	OSLUSLGCYPJVKE-DBKQXNKTSA-N	552.860	5.163	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1	100091236	OUEHNTNLGMMOPM-GZZLJNBRSA-N	560.119	6.782	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)c(C)c1	100100074	CXNMDMMWIQEKFY-FABQOPTDSA-N	569.547	6.796	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)cc1	100129730	CODUXRDHJXLHDJ-RGXNXFOYSA-N	607.574	5.549	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292964	JMJPXJWDWRNIRK-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3C)c2C)Cc2ccccc2)cc1OC	100303950	ZVZJEJQCMHKLOF-APTWKGOFSA-N	588.730	5.069	50	40	KKGB	
Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(CCCl)CCCl)cc3)n2)cc1C	100500203	JYAZYMUFZWWKPR-UHFFFAOYSA-N	512.484	5.148	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	100853287	QRSJYDHCDAYBFQ-MUFRIFMGSA-N	544.895	6.835	50	40	KKGB	
C/C(=N/OCC(=O)N/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3)c1ccc(Br)cc1	100924736	VWPDKTDOCZIWGZ-DSYCADLMSA-N	563.246	5.433	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(Br)cc2)cc1	100989389	NSQYQGBAHIFWQK-HVBJHMBASA-N	587.326	7.129	50	40	KKGB	
Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O	100990682	AMPKMCWIQPESNG-IEQIIXMPSA-N	546.490	5.543	50	40	KKGB	
COc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1	102135716	DHJDHNVEPNKHMY-AFAVFJNCSA-N	510.064	5.320	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	102807142	NFXAOSCRJXDZCZ-MUUNZHRXSA-N	543.092	6.663	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	102808180	WQCLKHOAMGTOLQ-XMMPIXPASA-N	607.441	7.312	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cc(Cl)ccc2Cl)N1	102808823	ZREKQMSFJQZRGX-AREMUKBSSA-N	583.928	7.353	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1ccccc1F	102809938	TVVUUQGNOFSBHO-MHZLTWQESA-N	573.606	5.449	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1c(Cl)cccc1Cl)[C@@H]2Br	102944031	FRIJSEMWBJNKIY-RLCCDNCMSA-N	548.928	6.618	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	103888522	XFMHLXPXZXGETL-HMAPJEAMSA-N	532.394	6.519	50	40	KKGB	
CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341427	KUIUUXDICKSUQR-SNVBAGLBSA-N	736.235	10.575	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	198317948	RWLAMELHGOIOEM-ODNPBWNPSA-N	646.087	6.682	50	40	KKGB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@]2(CC[C@H](Br)c1ccccc1)[C@]1(CC[C@H](Br)c2ccccc2)C(=O)[C@]2(C)CC[C@H]1C2(C)C	245240195	OTDWURFYQOPABZ-QPUDKACXSA-N	696.608	10.842	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408568512	KBCLUCZWKPATDF-FJEPWZHXSA-N	561.100	6.465	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccc(Br)cc1	408579375	GLPQUZNOPLWASC-WOJGMQOQSA-N	548.072	7.617	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	408583635	VXNZDIJEOWWLIR-DEDYPNTBSA-N	507.384	5.938	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	408599369	TWAYUJCMHHTGSO-FDAWAROLSA-N	515.451	7.243	50	40	KKGB	
O=C(NNc1cc(Br)ccc1OCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408606522	MFTZWVLIJHKRCC-QGZVFWFLSA-N	514.807	5.178	50	40	KKGB	
COc1ccccc1Oc1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	408636575	AMJZQMDGDNOLGG-CLOONOSVSA-N	525.960	5.403	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408639544	FVEBHRJZUOZFPE-ODAXIHTASA-N	782.225	6.283	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccccc1	408676749	NBKCPVANKQPTAC-OGLMXYFKSA-N	508.416	5.401	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1	408725710	NBFSMZUVIGFTLB-MOSHPQCFSA-N	602.856	6.867	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408726960	XABRHVGVWGWBDR-NDENLUEZSA-N	536.382	6.189	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc2c(c1)OCO2	408727648	VDRZGEVKYCWPHM-OXUBWTJQSA-N	695.078	6.274	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OCc1cccc(Cl)c1	408730119	NPFONNBYYOLQGT-HNSNBQBZSA-N	656.986	6.426	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1	408738473	YPJHQTKNBGDSLZ-WYMPLXKRSA-N	505.210	5.148	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408742597	BHKPLWSJLRIWRM-YVLHZVERSA-N	685.097	6.783	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408743504	GGRJBOJFXBWOIX-NVMNQCDNSA-N	593.248	7.040	50	40	KKGB	
O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408743737	USUPUYYHLZGQII-UZWMFBFFSA-N	536.429	7.043	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)cc1	408755832	WJOOJBSLUMVTJU-XIOXGIFKSA-N	543.689	5.571	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408766689	FAQRYAYBGXKNQP-GRSHGNNSSA-N	560.275	7.588	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c(C)c1	408787612	CPUDYXZSIHMUNS-VXLYETTFSA-N	619.151	7.716	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(O)cc1	408790335	VSICDQJYMNEMCH-CXUHLZMHSA-N	518.194	6.586	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1cccc2ccccc12	408790683	XQHHMFFFDOTOLX-HZHRSRAPSA-N	527.418	7.126	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2I)cc1	408792480	KERANEQGYAYZLF-LPYMAVHISA-N	522.386	6.341	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)c1C	408793464	FAFAYNFJWUHKFO-YDZHTSKRSA-N	637.315	7.948	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2I)c1	408796547	PFJITIDJZZXETI-SRZZPIQSSA-N	648.282	6.946	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(I)cc1	408818849	QUTDIRJMMDMXFV-YVLHZVERSA-N	562.766	6.217	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408819777	RVDQXHMUTTZILS-ZRGSRPPYSA-N	573.197	6.209	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408823406	FCTADTMOYPZZQC-OEAKJJBVSA-N	695.897	7.565	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408826495	GSVXUVNKLXXMDJ-KCSSXMTESA-N	623.087	5.490	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc(Br)cc1	408830260	PAPWPICYUVXQFS-KOEQRZSOSA-N	662.378	8.314	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Br	408836353	QIZDPGCWMJCLOV-XDHOZWIPSA-N	558.259	7.445	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc2ccccc2c1	408840911	GGUCTBSMUSUKQK-YSYOEVFLSA-N	639.099	8.383	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408841656	GHTOUNVLQHFUKS-AABVJFSESA-N	622.917	8.097	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408842488	PQPLGQSEOFCPQX-KEGTUQKMSA-N	747.111	8.466	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408847325	UZMURJAKSMYYNG-KULFSUQXSA-N	696.454	9.365	50	40	KKGB	
COC(=O)COc1cc(Br)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408848138	QAMYDDJGXUSLGA-LJUMEUDFSA-N	576.447	5.540	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1	408853099	YOFOUPADUZVDPK-PNHGISFSSA-N	675.630	10.104	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1Cc1ccccc1F	408874792	AVECDQMUGVYZQY-GIJQJNRQSA-N	513.794	6.695	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2OC)cc1	408886673	LFEHACYBMMFXAG-MHWRWJLKSA-N	576.230	6.538	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C	408886750	LTFAPVMIIFTLET-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccccc1	408887870	RTIGLOIFDNAKEJ-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408888546	WXNGQWDIUXTBAW-WOJGMQOQSA-N	555.812	6.275	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Br)c2)cc(C(C)(C)C)c1O	408889305	BPACKSMWVZFURL-FDALDRLYSA-N	629.595	8.205	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OS(=O)(=O)c1ccccc1	408890399	SMCSAGXYAYZTRA-OGLMXYFKSA-N	600.434	5.375	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2cccc3ccccc23)c(Br)c1	408892002	XBDIUFFSKMENCQ-CPNJWEJPSA-N	669.167	8.201	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(I)c1OCc1ccc(C)cc1	408897810	UDEKFUZCMQHJLP-UVHMKAGCSA-N	587.439	5.571	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc2ccccc2c1	408904459	JUHGGAWDSZMVSF-MNDYBZJGSA-N	621.387	6.450	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1ccccc1Cl	408904497	KJMMJSSFQLAPJW-QDTIIGTASA-N	595.719	7.307	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2Br)cc1	408925514	RTLFSXBCXZXTAQ-RIYZIHGNSA-N	627.256	5.986	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C)cc2)c(OCC)c1	408947018	NKAWBQSBNBQAHX-SSEXGKCCSA-N	742.636	5.462	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408949513	FPRIXVBYPWPFBP-ILBQVMEMSA-N	799.300	6.826	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)c(OC)c1	408950255	GSRNXGUDASHTAJ-LNZKYNOCSA-N	730.410	5.519	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1Cl	408954709	ZOCFTCCJOXIMFT-MUUNZHRXSA-N	672.001	5.567	50	40	KKGB	
CCCCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408968966	DSBDJJUJUFRKQU-MBQZLDDGSA-N	665.412	6.589	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12	408969593	QMBABWHRCZBWRZ-GBTNTVNESA-N	650.603	7.573	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408971692	JMQPOMAYSBELFX-IJRAPWFDSA-N	659.397	7.524	50	40	KKGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCOc1ccc(Cl)cc1Cl	409015937	PTSCKSUZZQLJGJ-DPGRRRKKSA-N	554.474	5.595	50	40	KKGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1	409021059	XJJMAELMOJITFL-QJOVZPHJSA-N	597.712	5.718	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccccc1Cl	409031538	HEPARODUMBYHCC-MWBNBJEGSA-N	617.558	8.602	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	409038170	DTSBYPNKZFNSMP-FJEPWZHXSA-N	646.938	7.373	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(C)C)c1C	409048051	QSOVHZDYBBDCJB-CAOOACKPSA-N	506.238	6.409	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1	409066147	KBTVVMXDNKSUKM-CAOOACKPSA-N	501.753	6.470	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)OCO3	409097965	OZGMPSGPBDSNOI-JOCHJYFZSA-N	684.655	6.075	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1	409133504	MSMLIYFRMDLZTG-FDAWAROLSA-N	568.482	6.127	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409135210	VQLICQNXKZRUTR-VWLOTQADSA-N	551.474	5.827	50	40	KKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	409136256	SCFVWNMXZOOLCS-KVSWJAHQSA-N	536.868	6.048	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409180982	XDRJGGHOZQLJFV-MUFRIFMGSA-N	548.393	5.791	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1	409221968	BYZMDPLDQWWFMV-UHFFFAOYSA-N	669.757	7.409	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409226235	QAKANLZWXBXCJD-ATRNALAASA-N	658.421	5.901	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1cccc2ccccc12	409232586	RLUJBQZSUFQAHQ-SZJFIWSWSA-N	555.472	7.364	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409261194	AUULMGJSYGICEO-QORIIEMTSA-N	516.812	5.729	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409262967	JSUOXEYMVLCYPL-CDLBOOTPSA-N	688.637	8.657	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1	409265273	UGJABEOEDHDCCS-FYJGNVAPSA-N	578.463	6.036	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409268234	ZYIDTNMPUKURSW-YBEGLDIGSA-N	555.772	5.574	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OC	409309546	IWUGCDBPQXBXOR-BVMLUPFRSA-N	618.912	5.998	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OCC	409310350	ANGKYRNPIPXFCC-RHANQZHGSA-N	509.990	5.309	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)ccc1OC	409313966	PZGDGIPQHOTROQ-MUXKCCDJSA-N	547.833	5.861	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1OCC	409314479	KQUUILAQOXKTLB-UHBFCERESA-N	531.436	6.532	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409315688	KHVDNGODXZQACU-MZFJOGFUSA-N	623.525	6.267	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	409318214	XRZSIRHSYBQOBV-DLCNMLRHSA-N	681.381	6.889	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409318915	YMXVPXLSALLQIF-OHUYPAJKSA-N	636.486	6.539	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409319409	FRWYZCCQMVVYMH-NTFVMDSBSA-N	595.899	5.822	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	409352156	WNVIWMDOAPMIJI-ZDLGFXPLSA-N	580.647	7.359	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409365220	TWNPJKRXDGLUOF-PDGQHHTCSA-N	523.948	5.450	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409386631	QULKXIVQYRGWFD-MUFRIFMGSA-N	560.588	6.188	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394770	FRKBYWABGXECGJ-UHFFFAOYSA-N	652.288	7.796	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(C)=O	409395638	QCXSGPGDGOWXIS-UHFFFAOYSA-N	735.385	7.286	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409396085	WFNCNPUPMWDPOX-UHFFFAOYSA-N	756.791	7.922	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396508	USFIDJYYGZRRRS-UHFFFAOYSA-N	596.083	7.496	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409396917	CYSIQOLMZRFJGU-UHFFFAOYSA-N	629.454	6.740	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)o2)cc1	409409658	PTDGGTYDTJCWMI-LDNCBKFXSA-N	762.411	8.082	50	40	KKGB	
C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](OC(=O)c3ccco3)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl	504703310	MJDGUHJEIVTMQZ-UHKKFDFFSA-N	615.506	6.327	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccc(Br)cc1	1529548286	BXSMAKRJNCKXIG-JKYKOXDNSA-N	842.348	6.280	50	40	KKGB	
CN([C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)c1cccc2ccccc12)[S@](=O)C(C)(C)C	1857795264	ZAOBJUBMZVUTAS-VRLMBGIESA-N	535.693	7.081	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccc(C)o1	1240415	DSKHBSFRKUDDGU-SANMLTNESA-N	583.497	6.610	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@H]1c1ccccc1F	8809573	URQRZQUBKZGDSW-XMMPIXPASA-N	518.614	5.169	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)c2C)c(C)c1	58915385	JZRNKCXTNAYSCF-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1	98000101	CRRGROXDEQQSKW-PMERELPUSA-N	567.667	5.924	50	40	KKGB	
O=C(Nc1nnc(S[C@H]2C[C@@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)s1)c1cccc(C(F)(F)F)c1	100406452	KZQUGOZMDNOEQK-LULLPPNCSA-N	569.472	5.938	50	40	KKGB	
CC1(C)CC2=NC(SCC(=O)c3ccccc3)=C(C#N)[C@H](c3ccc(Br)cc3)C2=C(O)C1	102564980	NCBQRUABAYXSEX-QHCPKHFHSA-N	507.453	6.971	50	40	KKGB	
CC1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@@H]1[C@H](Cl)[C@]1(Cl)C(=O)N(c2ccc(Cl)cc2Cl)N=C1C	103210641	LKVYETOLTJCHBV-WFXMLNOXSA-N	567.087	6.647	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1	103878689	KQYTWJUJRZVSSF-PNHGISFSSA-N	631.179	9.995	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882857	XWHYWDZRSYDBAH-BKUYFWCQSA-N	599.298	6.185	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC#N	103890575	VMVVSEPOMHAADG-JYRVWZFOSA-N	542.160	5.445	50	40	KKGB	
CCCCCCCC/C=C/CCCCCCCCOC(=O)Cc1ccc(N(CCCl)CCCl)cc1	104151427	AEXGSEOADJOPRF-MDZDMXLPSA-N	526.633	9.094	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC(=O)CI)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C	118936174	MZAQLTZIAVJPPY-ACJZQGMZSA-N	554.597	8.064	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	150382311	QXPDFEFTSXMMBM-LZYBPNLTSA-N	715.669	6.591	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	150427410	JBMFCAOAJQZCIQ-PPDIBHTLSA-N	709.547	6.584	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1I	150427432	FQYGKEHOGDHLSM-YVNNLAQVSA-N	627.058	5.138	50	40	KKGB	
O=S(=O)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O[C@@H](Br)CCCBr)c(Br)c1	150437977	FKHCRYAXTUMUMS-CQSZACIVSA-N	779.759	7.550	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)cc2)cc1	162429821	WTQWVMFDRJVEJT-JRZNSJKLSA-N	697.213	6.834	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795370	AHNRFAHKCHDMPD-VXGBXAGGSA-N	758.154	10.160	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408539937	KROQPIMMPBGCOB-ZXSNDDASSA-N	538.644	6.714	50	40	KKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1	408540731	VNXMLQMPVXYWEO-NVMPUMLXSA-N	537.100	7.821	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c(C(=O)OCC)c1C	408547178	TWRIUJFVSNJWFK-PXLXIMEGSA-N	517.603	5.708	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1cccc2ccccc12	408567607	FVCLDBHRUCZNBZ-KYHGBAKBSA-N	623.594	7.198	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408639220	FDSSKOYLFPPXDE-KIHHCIJBSA-N	719.770	6.203	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408641518	CNVJUYXPRKBONH-HBMCJLEFSA-N	519.812	5.182	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408642842	FHWIWUYUXLWKAL-HLFFMGMJSA-N	638.051	5.864	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408688661	WLIMODLAEGKPTN-TVFCKZIOSA-N	633.562	5.582	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1ccc(C#N)cc1	408710880	TZNSGYFGOPDSCM-IPPBACCNSA-N	587.268	5.833	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2I)cc1	408745925	AWVVBZCEGFDMAG-NHDPSOOVSA-N	587.255	6.165	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	408745977	PRMHAIFTPQZYRY-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCc1ccccc1	408747705	RSSUCSWRCGGJAG-GRSHGNNSSA-N	560.673	6.667	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl	408750865	SQPXADOBTVPYHP-KCSSXMTESA-N	535.427	5.967	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl	408759368	CWWFPCNWWRRIMX-PXNMLYILSA-N	581.091	7.643	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)c1	408766618	VXVPJXCDFPHEEK-XMHGGMMESA-N	567.383	5.253	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1cccc(C)c1	408788994	NSWUVCCDXMOGJM-RGVLZGJSSA-N	525.830	6.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408789935	STDHFKQPKGYTNH-OEAKJJBVSA-N	606.314	7.888	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1	408792999	NCAUNXXHWLWBET-YBFXNURJSA-N	617.237	5.965	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(C(=O)O)cc1	408793677	FWVPYJMGWHPULF-SRZZPIQSSA-N	535.394	5.897	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408794265	RTVNVISHRYPFRZ-WOJGMQOQSA-N	527.802	6.331	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1	408798048	ULRVMZLLIPXDKH-UDWIEESQSA-N	508.933	5.789	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(C)c(C)c1	408800929	SBGQDIOTLGFEBK-CIAFOILYSA-N	586.857	7.085	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc(F)cc1	408821896	AFIHEBKUSVYOKN-OVVQPSECSA-N	536.603	7.237	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2ccc(Cl)cc2C)cc1	408825595	BBKJVYJWWJMISL-ZKZIKLGPSA-N	633.170	5.559	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2cccc(C)c2)cc1	408827223	ICWBNSLVROZJAX-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408840244	CUUWARIBKOTJNW-JJKQSNDFSA-N	620.009	6.748	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1cccc2ccccc12	408844198	OVIHMLGSQXSKMM-OEPDXVHDSA-N	745.042	9.316	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1	408851279	XDFVYTMQWZVIBH-VULFUBBASA-N	547.247	6.345	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc2c(c1)OCO2	408852634	MHKZCINYZFRTJH-PPDIBHTLSA-N	570.339	5.118	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408858883	QPFAUVMDSFBNFA-IPBVOBEMSA-N	588.738	7.239	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccc(Cl)cc2)cc1	408860014	QRVJZRLHMMRDJM-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccccc2)c(OC)c1	408867325	KKLFYOFCDKSHDJ-KEIPNQJHSA-N	621.115	5.345	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccc(C)c(Cl)c2)cc1	408868219	NEFPUYMULJXDLN-VTNSRFBWSA-N	567.086	5.849	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408868507	PDAOQVSWTUSNAK-HNSNBQBZSA-N	547.486	6.335	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408885906	GQKWJNMQUXIPEW-WOJGMQOQSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1Cl	408887229	MYPGNCXEJJYLCE-VCHYOVAHSA-N	633.826	6.385	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(F)c1	408888126	XCDPBHWPNSGDOB-GIJQJNRQSA-N	563.345	7.130	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccccc1C#N	408891116	LROZZTJCDZMSKC-HBHSWBPBSA-N	644.473	6.820	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(Br)cc1	408893078	FCBLBBNWNNRORS-XDHOZWIPSA-N	603.254	6.577	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OCc1c(Cl)cccc1Cl	408896394	NHUNYXAMZPHVRL-GZTJUZNOSA-N	501.797	7.089	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408896490	NVWHMNBVSYFVOH-GIJQJNRQSA-N	665.225	6.237	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1C	408897907	JIQAABDCOYJONB-XODNFHPESA-N	536.253	6.806	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408898065	KCCBYEHRDRBGJB-LICLKQGHSA-N	556.358	6.074	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OCc1c(Cl)cccc1Cl	408899198	NZMYUGBIGQMUFU-KKMKTNMSSA-N	516.406	5.965	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1cc(C)cc(C)c1	408900567	WEEGPDKUARYKRV-FSJBWODESA-N	519.439	6.816	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c(OC)c1	408923066	IXNVZRNFFMANKC-MOEPSENCSA-N	730.410	5.519	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c([N+](=O)[O-])c1	408925187	QKRPBEKFNMRYJY-XSFVSMFZSA-N	513.937	6.535	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408936947	GJXCEKJUXANQII-SFNZXDEDSA-N	607.492	7.007	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408936993	GLHSKBUMYCBHKE-GLJXUZQSSA-N	669.551	7.534	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	408938979	HUWNIVDDSSAMHM-ICUTVXMZSA-N	572.665	6.551	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)c(OC)c1	408947029	ABHPVXBXSHNCNU-WHNQQBDFSA-N	874.470	6.357	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408948733	DLCFLXIAUKKVAJ-KVNFINCSSA-N	730.956	5.318	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1cccc(C(F)(F)F)c1	408962051	GAVUYKIMJALDTI-IBBHUPRXSA-N	527.340	6.964	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1	408964474	RNJQZMCVGSZTIL-XJPFLQATSA-N	609.466	6.115	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408968873	CJFSZNCFEZVJKE-CYISTXKASA-N	651.385	6.198	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1	408970662	JWLYKHCMXNEZDT-JRLKUCENSA-N	713.456	7.379	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408971448	ONJZFDXIGUVHGD-YWNCOAFESA-N	669.403	6.980	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1cccc2ccccc12	408973529	TUKKWHFXPWUZCM-VIVICKJKSA-N	567.686	5.796	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408973561	YWEWZVAMDDYZMX-LHDZSEQTSA-N	556.490	5.941	50	40	KKGB	
COc1ccc(COc2ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)cc2)cc1	408979014	KUWQSHYBYJNFEM-GQCRFCPSSA-N	557.672	5.143	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1Cl	408986530	MQDSHHGUNOFKBB-MOSHPQCFSA-N	518.842	7.268	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)c1ccccc1	409004009	WCDBQHDBVFXNLU-GBBLVPQKSA-N	578.880	6.562	50	40	KKGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl	409007586	YAYGAZRFVXGGHU-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc(Cl)ccc2o1	409014025	DNAWXLOVMWVKSY-AQLQTECXSA-N	706.705	7.792	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409016611	QTSFPPHOTDPBLT-FSJPTQJLSA-N	593.555	6.673	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	409036954	RYUCIVOBZFTZTH-MUFRIFMGSA-N	547.478	6.953	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1	409046062	IEOQPTCZNNAGFK-VCHYOVAHSA-N	544.218	6.784	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(CC)cc3)c(OCC)c2)cc1	409157409	VJRPFHSPLMQRQJ-HNSNBQBZSA-N	686.547	5.538	50	40	KKGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	409167391	IMUXFXMKIURSPL-WKULSOCRSA-N	563.279	6.594	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)cc2c1	409187136	MOPPBVXRKBWMNC-LQNQUEJISA-N	509.518	6.236	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	409200670	JNTMZJJDYBVAHJ-WKULSOCRSA-N	539.882	7.077	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409225086	OLRUOHCNSKYBAE-UHFFFAOYSA-N	620.540	6.248	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409228488	ZCUHJMGEVFTFBP-MTJSOVHGSA-N	574.302	6.999	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409256579	PJXISFXUDNYQRS-WOJGMQOQSA-N	536.382	5.035	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1C	409267727	XHUZOHNNXPUGSZ-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1OC	409309368	GEFRXUXWPXFXHN-ACXHZZMFSA-N	612.318	7.115	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1OCC	409314155	DYZWUSSJQDUDFN-YUMHPJSZSA-N	561.454	5.087	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1OCC	409319783	LTICHFAKNVBYOR-MNDYBZJGSA-N	667.192	7.281	50	40	KKGB	
C#CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1	409319941	NYBAZAQBVQGZDA-MWLSYYOVSA-N	586.280	5.965	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)cc2c1	409337271	SYOZRQANLGAXAK-FTCYSYDXSA-N	641.143	8.006	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409371756	NGMLONUZLYYJRW-OCKHKDLRSA-N	571.327	6.149	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(Br)cc1	409373719	TURGOBKCQTVCOG-WCMJOSRZSA-N	612.318	7.115	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409374161	ZJYHZFUCYOVFKN-FABQOPTDSA-N	563.481	7.625	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(I)cc1	409374754	YMAALWLTQXOGRK-MOSHPQCFSA-N	535.385	6.518	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	409381397	FVPUONQFNQMODH-AEUUOICLSA-N	670.589	7.415	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OCc1ccc(Br)cc1	409390356	COSKGPLALXFEOP-ZDLGFXPLSA-N	583.280	7.138	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409398215	RSRQATFPHKVCKD-UHFFFAOYSA-N	602.430	6.862	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)Nc1ccccc1F	409402660	KLOLKYRLERENHY-GZOMZLSJSA-N	703.565	7.348	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409407830	IIRYIFJZVHVTAP-KMUKQRDJSA-N	582.056	7.211	50	40	KKGB	
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@H]2OC	504321956	KASDHRXLYQOAKZ-VEHMJINTSA-N	810.466	5.719	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1	1529547107	ISSGOUZFEQNSKV-XINRNAFCSA-N	828.442	5.499	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1OC	2768260	HSXZYIVALOBWQN-OQKWZONESA-N	512.997	5.476	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(CSc2nc3ccccc3s2)cc1	3240669	BPUTWWDFMADSSV-OCSSWDANSA-N	551.722	7.267	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1Cl	8400434	GRKPQQJYQSCPIH-HHHXNRCGSA-N	608.945	7.062	50	40	KKGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1	8997430	LIXOWXXIBOIXEJ-PLRJNAJWSA-N	502.684	6.484	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccs3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9763738	ICIQXCQBLNCLMV-MTDXEUNCSA-N	519.696	5.934	50	40	KKGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O	13573642	SICVFQLILXMWQU-QHCPKHFHSA-N	500.967	5.868	50	40	KKGB	
O=C(Cc1ccccc1)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2[N+](=O)[O-])c1	14920250	YBZJXIKZCRXXAO-NDZAJKAJSA-N	508.534	5.119	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccccc1Br	20761040	ZYCXUJYOUGYBCS-FDAWAROLSA-N	509.403	7.098	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1	58913738	BADHSVNUCZWJPU-OCSSWDANSA-N	500.986	5.415	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	59647210	KXYKOEPHDVTRQD-IPPBACCNSA-N	608.942	5.223	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	59856195	YLVJWLCYIOHSDJ-UXHLAJHPSA-N	538.456	6.153	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	59885707	UMGNBCZOMOAKSG-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	97951257	YKAWDUNNVDFXTM-RUZDIDTESA-N	506.071	6.339	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1	97960703	RDAYXGPBXKJLFT-HAHDFKILSA-N	604.444	6.976	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(-c4ccccc4)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	97968909	RGQJMFANOAYACC-APTWKGOFSA-N	564.736	6.544	50	40	KKGB	
CCc1cccc(CC)c1-n1c(SCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)nnc1-c1ccc(OC)cc1	97980904	OESMHIXOPHDABQ-BBUXEPKYSA-N	653.780	7.037	50	40	KKGB	
Cc1ccc(CN2c3ccccc3C3=C([C@H](c4ccccc4Br)C(C#N)=C(N)O3)S2(=O)=O)cc1	100032544	PBMZIEUUVFUCIJ-HSZRJFAPSA-N	534.435	5.284	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Br)cc1	100120068	KIHGPLMNFKYPAI-UXHLAJHPSA-N	579.520	5.587	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	100126537	CJOFASXLBXPQIH-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100952578	DLHQCAPZLSQUHH-DHDCSXOGSA-N	571.315	6.141	50	40	KKGB	
CC(=O)Nc1sc(/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)nc1-c1ccc(C)cc1	102862938	JDKLOZDMIVZVNP-UYRXBGFRSA-N	504.409	7.164	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1	103866873	CWNJYBHZFYVWCU-MZJWZYIUSA-N	528.859	7.018	50	40	KKGB	
O=P(CN1CCC(CCCC2CCN(CP(=O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1	104159511	ARNNYXPDGRCANQ-UHFFFAOYSA-N	638.773	7.524	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H]2O[C@@H]2[C@@]2(C)[C@H]3C[C@H]3O[C@@]4(OC[C@@H](C)C[C@H]4Br)[C@@H](C)[C@@H]32)C1	123213454	IRGXIYGEVPSGHA-WZQVIDPRSA-N	551.562	5.725	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(I)c1OCc1ccc(Cl)cc1Cl	150345871	BSHJKGWNEVPXCP-VWDPFFEDSA-N	692.301	5.318	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(C(=O)O)cc1	408542545	KBJQCCUJYHKBOK-ODLFYWEKSA-N	526.286	5.541	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(C(=O)OCC)c1C	408546314	GJMVQWCDGPLEEZ-SFQUDFHCSA-N	545.535	6.408	50	40	KKGB	
C[C@H](C(=O)O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408647218	BIXFENVCQMHTDE-FCQOYDRMSA-N	631.339	6.045	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccccc1Cl	408650471	FRMMYRDUHMPFAI-LXNDPQCUSA-N	610.925	5.255	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1	408661549	XIAFALDYXCHRJB-NLFFAJNJSA-N	526.416	6.217	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408676479	JEGSZVLLSBGIAR-FJEPWZHXSA-N	532.855	6.599	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(Br)cc1Cl	408689774	SPNVZDJTGKYVAE-ZYGGUILKSA-N	588.669	5.012	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1cccc(Br)c1	408719690	PECFRVRLMQHWCA-UYKHCAHWSA-N	576.450	5.416	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408725095	FAKNMMHZDHKKSO-LUOAPIJWSA-N	561.230	5.082	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)Nc3ccccc3)c2-c2ccccc2)cc1	408741098	GQUYJIPEEZZHNH-GZZLJNBRSA-N	500.602	7.366	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)cc1	408757625	AYNHEQOVPREZKK-JJIBRWJFSA-N	526.570	5.330	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408767526	YEABPPZCSLLGKH-UNOMPAQXSA-N	522.355	5.881	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2ccc(C)c(Cl)c2)cc1	408771713	BLINVUNSDWAVEX-BIZUNTBRSA-N	576.074	5.522	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc2c(c1)OCO2	408774833	QULVDEKDUQDMAY-HMAPJEAMSA-N	576.447	5.021	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3ccc(Br)cc3)c2C)ccc1I	408775487	HMNSUOYQEORHDN-UNOMPAQXSA-N	517.208	6.834	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(CCSc2ccc(Cl)cc2)c2ccccc12	408777594	CVOFTPSNTJJQEV-RGEXLXHISA-N	506.458	7.595	50	40	KKGB	
Cc1c(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	408785154	ZDEJIHYCKVORKV-FADJLKOXSA-N	603.704	5.136	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c(C)c1	408807168	OJJJFMSXLPAFEC-HYARGMPZSA-N	501.413	7.888	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1	408808272	FGWGZKOVHMWXHZ-ZXSNDDASSA-N	500.646	7.241	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2Br)cc1C	408809211	NLMXXJICLAPSIS-CIAFOILYSA-N	509.831	7.152	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc2c(c1)OCO2	408812187	CLNJYZMGCLBNOZ-IUXPMGMMSA-N	572.330	5.292	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OC(C)C	408824646	ITBBYLCCBSJNNU-UDWIEESQSA-N	602.856	6.865	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccccc1	408827416	CXCWCXRDURUSOG-KOEQRZSOSA-N	525.004	7.052	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OCc2cccc(Cl)c2)c1	408833530	SXCKEOPVQKXGDC-YZSQISJMSA-N	539.031	7.361	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC#N	408838430	FHCFNTKSNKCUQX-WCMJOSRZSA-N	546.052	6.581	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408838656	ZBFMAPQVYBHVTF-XICOUIIWSA-N	620.171	6.787	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NNC(=O)c4sc5cc([N+](=O)[O-])ccc5c4Cl)cc3)sc2c1	408840730	DKOYUJDDDPQBSJ-UHFFFAOYSA-N	599.477	6.967	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc(C)c1OCc1ccc(Br)cc1	408855328	LUDQNXYAOJNJDW-LUOAPIJWSA-N	611.128	6.639	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	408860364	TXQOYWTXQAHGMT-UJEJHLKSSA-N	576.502	5.275	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1	408869681	TUWNLGWOWWDHQQ-WSDLNYQXSA-N	580.422	5.840	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc(Br)c1OCc1ccc(Br)cc1	408870489	FJKJZKHZRHQFAZ-QFDQHJFZSA-N	731.250	7.310	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2ccc(C)cc2)cc1	408876400	OILWCNCHJMZLDU-BANFAUBCSA-N	630.792	5.319	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1Cc1ccccc1F	408876766	NNIRVSHSAFXREE-WOJGMQOQSA-N	605.245	6.728	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	408878582	ASBXOSYWKATNDM-MHWRWJLKSA-N	501.753	6.420	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3Br)c(OC)c2)cc1	408880604	KEKNLKHGLCOODQ-UDWIEESQSA-N	509.831	6.810	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1Cl	408891184	MRPOWSJCKBYCLJ-VCHYOVAHSA-N	588.785	5.776	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(I)cc1	408892369	ASBIIGWSQXCNSG-XMHGGMMESA-N	623.244	6.972	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408895120	MBRIMSZDPSJAAI-XSFVSMFZSA-N	575.846	7.419	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	408895659	VFWIVDZYWWWKIU-UXHLAJHPSA-N	598.150	5.300	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc(C(C)(C)C)c1O	408921832	CIPKCFHSECGNIT-BKATUZMVSA-N	586.776	8.956	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c(OC)c1	408957784	VXNIWXMPOWEEKY-GQQDTJLESA-N	671.585	5.135	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC	408961527	CRIMGDBGQLMRCB-BRJLIKDPSA-N	518.273	5.037	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1c(C)cc(C)cc1C	408971489	GHDXKCKQFVVJKG-XUVZMNCFSA-N	628.597	6.955	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408977016	CBXWPSIRAAVICZ-NLLYSOFASA-N	640.589	6.840	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c2ccccc2)cc1	408979556	MUPPYYZBVWEQIR-VQRDECFVSA-N	590.749	6.630	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)c2ccccc2)cc1	408979637	NNRDYPZISVONJT-FZEGLUMNSA-N	552.656	5.006	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccccc1	408992544	SIKHPRFIYKNFFA-FSLBVTOFSA-N	639.715	6.169	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N	408994446	GBJRGTTUVUMCRV-UMXXPQORSA-N	545.384	5.078	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2)c(I)c1)c1cc2cc(Cl)ccc2o1	409022338	KNHSBNNTYLFPFP-ZMFRSBBQSA-N	530.749	6.034	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409032417	JJWPOSNQQZVMBD-ATZGPIRCSA-N	601.501	7.798	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409040242	SQDALRFYKHKZTQ-CAQPMQTCSA-N	628.426	6.758	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409047087	MVCINCLDNLUVQB-CAOOACKPSA-N	532.163	6.902	50	40	KKGB	
COC(=O)COc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409049715	ZSOKTHWIQGNQQG-NUJZUDFISA-N	691.263	5.427	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409064204	CDDXOJRRKXNPEW-MHWRWJLKSA-N	521.809	6.269	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCc1cccc2ccccc12	409069983	KFMNVSNFTAREPT-VUTHCHCSSA-N	516.641	7.709	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409111926	AJBJFFVPPFYSEX-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C)cc1	409127874	HYHXNWJGEPPZEU-MUUNZHRXSA-N	515.654	5.355	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(Cl)cc1	409129502	GIRGWFLSZKOHFC-JOCHJYFZSA-N	515.791	5.505	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1	409217355	BRFJQDMUKGSBER-UHFFFAOYSA-N	556.416	5.993	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc(OC)c1OC	409222115	BGNNHGRQQNGPFR-UHFFFAOYSA-N	725.390	6.781	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccccc1Cl	409252859	UGFJUESEQOKLJY-WQRHYEAKSA-N	601.828	5.825	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409269414	JACGEYHJAHKOIM-OVCLIPMQSA-N	568.766	7.229	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)ccc1OC	409306315	ZKXBXHYKUJKIJF-QDTIIGTASA-N	641.154	6.724	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1OCC	409310521	AQGWQECTTRMMIH-FDVSRXAVSA-N	635.309	6.650	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)cc1OC	409313863	RCFWKYBCYQXQKX-MUXKCCDJSA-N	576.285	6.270	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1OC	409317981	TXNDECSAIYHECJ-KYMQWJLESA-N	647.198	6.712	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OCC	409320483	BKDHJJCACDAQRL-LJUMEUDFSA-N	587.898	6.808	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nn(CCO)c(/N=C/c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3)c2C#N)c(OCc2ccc(Cl)cc2)c1	409337272	SEESGIYYJUYRDZ-MHYDTIRASA-N	790.796	9.719	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	409359302	BHDHJXZAHSEQQV-KVSWJAHQSA-N	584.241	5.748	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(Cl)cc1Cl	409371253	DOUGIUMFJGTCNP-MFOYZWKCSA-N	568.213	7.779	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(F)c1	409372042	QZDLNFZOINBCCO-OCKHKDLRSA-N	544.320	6.380	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	409372747	IMFUFNWADROUGQ-AMVVHIIESA-N	586.255	6.855	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)cc1	409380732	CGFBIFATHJUARV-UYRXBGFRSA-N	520.383	5.329	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)cc1	409395866	SPAGTSPUBSMMLC-UHFFFAOYSA-N	568.427	6.589	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)cc1	409396048	VSXCHFCTJVEHSP-UHFFFAOYSA-N	791.665	8.909	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)cc1	409396458	YNDSSPGOPWJNQG-UHFFFAOYSA-N	600.900	7.851	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396460	RSZDSQDPESJXTG-UHFFFAOYSA-N	734.987	7.575	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396558	WRXGSRNUHCPPBU-UHFFFAOYSA-N	659.480	6.830	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3ccc(Br)cc3)o2)cc1	409403455	MZTNFVSXJVDLJS-RODHXAHZSA-N	711.838	8.787	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc(F)c4)c([N+](=O)[O-])c3)o2)cc1	409403470	NCHMYMMGFKALQJ-QMRORBIVSA-N	661.484	7.419	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4cccc(C(=O)O)c4)ccc4ccccc34)o2)cc1	409404746	QVLASLRVKSTROU-GLJXUZQSSA-N	613.670	7.460	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409407090	YVJVHHTZFODENG-KWQVAVEISA-N	655.151	7.408	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc2ccccc12	1531386408	HMHVZYVVSTWINU-BIKKEBSBSA-N	599.687	7.771	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	1102295	NPRVLEQKYOHZCN-HHHXNRCGSA-N	528.703	6.380	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cn1)C(n1cccc1)=C(C#N)[C@H]2c1ccsc1	1432884	SICNYGCMODWBND-JOCHJYFZSA-N	505.441	6.346	50	40	KKGB	
CC1(C)Cc2c(c(-c3ccccc3)nc3oc(C(=O)c4ccc(Br)cc4)c(NC(=O)CCl)c23)CO1	1877226	OCTFZKRCRLIYIB-UHFFFAOYSA-N	553.840	6.517	50	40	KKGB	
Cc1ccccc1NCc1nnc(SCC(=O)N/N=C/c2cccc3ccccc23)n1-c1ccccc1	2097887	FVZZHOAJZPXTTA-FDAWAROLSA-N	506.635	5.583	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1COc1ccc(C(C)(C)C)cc1	2574783	TXZYYGHNTRSNFN-AREMUKBSSA-N	508.574	5.896	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)n2-c2ccc(Cl)cc2)cc1	2696068	VUUQUSMBLASPGW-UVHMKAGCSA-N	557.419	5.400	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C(F)(F)F	3231329	ZPINXXZFTYQOCR-GHRIWEEISA-N	515.285	6.233	50	40	KKGB	
O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccc(SSc2ccc(NC(=S)NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1	4017891	SFCDHIXRKXHQFS-OGBZJDJUSA-N	662.834	7.817	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCCOc1ccc(C)cc1	4207643	ZGPMHHLDFBCADG-WPWMEQJKSA-N	512.404	5.770	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	4667730	CAHKIBRGYIZGPF-GDLZYMKVSA-N	554.672	5.800	50	40	KKGB	
C[C@]12CC[C@@H](OC(=O)Cc3ccc(N(CCCl)CCCl)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12	5389773	JMZJBCNHUJOLER-BXPATTORSA-N	563.610	6.336	50	40	KKGB	
C[C@@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Br)/C(=C/c2ccccc2Br)C1	8783235	WSRKTDJYRJVWBN-HSUCCHLMSA-N	512.245	6.787	50	40	KKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1C	12542559	LQVUCWJUEZDXGI-HZHRSRAPSA-N	512.635	6.189	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1	59473423	MFOIGYPRKXAFGV-FDAWAROLSA-N	517.050	6.984	50	40	KKGB	
BrCCc1cc(Br)c(Br)c(Br)c1Br	71623916	WQAFQGLCCQTGAT-UHFFFAOYSA-N	500.648	5.674	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	97966840	QQTHLTUWGNOHLT-XDHOZWIPSA-N	567.048	5.593	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](CCSC)C(=O)NN(c2ccccc2)c2ccccc2)cc1	97984712	UUODSTQNSUZDPU-GDLZYMKVSA-N	568.699	5.669	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(Cl)cc2Cl)cc1	98002520	SUTBUTKZRIQICO-ZSNJKBEMSA-N	632.569	7.380	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	98048511	UBAQJSOEDAHXNG-DEOSSOPVSA-N	640.993	7.677	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100123087	MIPIQEPXRJEGBH-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(Br)cc1	100176662	AIOCGPMOQFNTAF-OKCVXOCRSA-N	527.422	5.475	50	40	KKGB	
C=CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)Cn1c2ccccc2c(=O)c2ccccc21	100534837	CNYCAAYRYGODGX-CCVNUDIWSA-N	569.253	5.395	50	40	KKGB	
N#C/C(=C\Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1	100748282	HHYPXGOVLGJNMS-NBVRZTHBSA-N	520.839	7.434	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1	100989433	ZXUGSNWEWQWCGG-CKVBZJJFSA-N	538.854	6.167	50	40	KKGB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1	101006735	HSGYBKLXQPXFRQ-OOAXWGSJSA-N	589.739	5.497	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	101700769	PIQOMFLXCUYLLJ-PXNMLYILSA-N	532.767	6.688	50	40	KKGB	
O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1	101749273	PAHMOZCQGFRHGX-NVJOKUIPSA-N	548.271	6.679	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)N1	102160755	RZWQGAKQOFCTJX-AREMUKBSSA-N	583.035	7.065	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3ccc(Br)cc3[C@@H]2[C@H]1Cl	102975216	GRCLJBJEWJBFNF-DHMZULSFSA-N	533.850	7.535	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	103528627	RYSYRRQASMLQKN-LJQANCHMSA-N	512.429	9.639	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(I)cc1	103890889	MLNKTAUCHFQSII-MOSHPQCFSA-N	619.286	7.460	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3sc4c(c3c2=O)CCCC4)cc1	103991840	QPOCGISWOTZPOM-MWBNBJEGSA-N	616.853	7.177	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(Cl)c(Cl)c1	104402159	DNOBCGYVVOTGTG-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(C#N)c1C	105460596	URSVGHDXSFRAKO-UDWIEESQSA-N	528.033	6.480	50	40	KKGB	
Cc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	150384297	CXIZFAWUDNHDLZ-CNCDYAKUSA-N	633.941	6.028	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	150644007	BCTFWKSWWSPZNN-WKULSOCRSA-N	691.263	6.229	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1C#N)c1ccc(C(=O)O)cc1	408541199	BZRLMOXDZHMGFG-UKWGHVSLSA-N	632.195	6.109	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1cccc(C)c1	408542513	JWZUKXHQRWDNBW-NHDPSOOVSA-N	525.342	5.950	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1cccc2ccccc12	408581245	HVPRVFCMHKFYOT-ZVHZXABRSA-N	544.445	7.661	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)c1ccc(Cl)cc1Cl	408581666	YOCLXPGYVDUBRQ-XCVCLJGOSA-N	505.977	6.046	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408599487	VNWZWOOQTFWHCJ-RWPZCVJISA-N	540.414	6.006	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408711734	IACHGFBNWXQCMK-MUXKCCDJSA-N	580.704	6.536	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1ccccc1I	408712092	ZDMGLAWMXJLAOU-FSJBWODESA-N	569.184	5.067	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744950	IQVKHURHRIPJFH-SXGWCWSVSA-N	675.091	7.327	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)ccc1I	408747260	LFVHDQPAULYZAD-GATIEOLUSA-N	542.204	5.778	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1	408752565	BQWHGODZECLRBD-PDGQHHTCSA-N	508.361	5.759	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccccc1Br	408759896	NQKAOLPSDFSDRD-KGENOOAVSA-N	533.403	5.916	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I	408788461	DEKFZTHUJVOOFU-VGOFMYFVSA-N	604.613	5.968	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(I)c1OCc1ccc(Br)cc1	408801427	ARAIPYJEVDHHAJ-UGPDPKQLSA-N	609.302	6.243	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(C)c(C)c1	408803970	BIJGQWZIDLTBDM-DJKKODMXSA-N	560.275	7.506	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(Br)cc1OCc1ccccc1C#N	408812632	MEUNGKMESTVWDP-YDZHTSKRSA-N	516.395	5.174	50	40	KKGB	
CC(C)C(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408821633	JPUTYWCQUMYKFN-LGJNPRDNSA-N	508.427	5.084	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	408821885	ADNCKZVSZZFKCW-WSDLNYQXSA-N	717.241	9.231	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2cccc(Cl)c2C)cc1	408824781	AJGNCLZPJPRGBZ-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)Cc2ccccc2)cc1OC	408824878	BKMMBQZFJFBYAC-NNLKUIAGSA-N	751.283	5.683	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408826591	HIMKMAYNVPCXFX-BKATUZMVSA-N	776.337	5.975	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408827925	HXSAPJPSCZYSPI-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408832705	IJJHOSDGERMOJK-BWAHOGKJSA-N	531.678	5.643	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408840012	AEOWGNNLKZYHRW-VVEOGCPPSA-N	585.469	6.185	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1	408840056	AQGJVYWNDJFJDT-KVSWJAHQSA-N	536.988	6.996	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2ccccc2o1	408845615	HXQOQIYLYJXLSY-PPDIBHTLSA-N	656.645	6.638	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408845694	YUGXVAQMJGCZQR-STKMKYKTSA-N	549.652	5.764	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5cccc6ccccc56)c(Cl)c4)cc3)cs2)cc1	408848864	WOHMJYVEODXKLO-OEPDXVHDSA-N	637.592	9.665	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(C)cc1	408848961	XJOUEPJUBPEEDG-VYYCAZPPSA-N	540.357	5.697	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1cccc(NC(=O)c2ccccc2)c1	408860923	IPDQIOPTFGKTSU-AVLPFNLUSA-N	544.699	6.548	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2cc(Cl)ccc2C)cc1	408862662	HICPANPYEQGEFL-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408864120	WRHSCIWGADEGOS-BIZUNTBRSA-N	622.541	5.691	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408864198	XHTCQRGDLXJLOC-YQCHCMBFSA-N	568.699	5.600	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1cccc(F)c1	408871875	YQIWZUUNHJNJHK-UFFVCSGVSA-N	524.976	5.697	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC(=O)c3ccccc3)c(OC)c2)cc1	408879880	FVZWIRBOELQKDQ-DEDYPNTBSA-N	596.377	5.241	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1	408880052	GSMXKAPDDNWWAC-QGOAFFKASA-N	502.439	5.018	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc(I)c1	408880735	IKHHYIWKMWHPAP-HMMYKYKNSA-N	544.348	6.209	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408885357	ZWDJGCBONSPRNQ-DHRITJCHSA-N	559.329	5.229	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1Br	408886374	GNLWYZHETQELKT-GIJQJNRQSA-N	637.699	7.149	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)c(Cl)c1	408886995	KSLMPXRTWZNNLM-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCc1ccc(Br)cc1	408891775	VEKDODRGNAMTTN-LDADJPATSA-N	542.227	6.345	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1Cl	408893139	FVKDRKNENKNVNP-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc(C(C)(C)C)c1O	408895377	MPJUJMPLVDAWTA-XJECJHNESA-N	589.991	8.609	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12	408941637	DZRIGCRAHJIHHU-SSEXGKCCSA-N	616.143	5.228	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)c(OC)c1	408947033	ABHPVXBXSHNCNU-WLCOTJRJSA-N	874.470	6.357	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccccc1	408947854	BLFFLTVZDYITEW-JWDUHEDXSA-N	656.736	5.122	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408964043	MOKRLIJLYFILDP-FGFDZSENSA-N	633.532	5.656	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccccc1C#N	408966672	MXSJIMGJKZBZEM-AMVVHIIESA-N	521.346	5.073	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4cccc(C)c4)cc3[N+](=O)[O-])sc2c1	408989727	IQWMEUCBRYGGSH-LDADJPATSA-N	516.604	6.609	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cc1Cl	408991716	OYUGLAXBIBGRSL-MHWRWJLKSA-N	506.996	6.863	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1sc2c(c1C#N)CCCC2	409001032	ZYGBBSDNTMYZEQ-KVSWJAHQSA-N	501.439	5.742	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409030581	DXXQQMBLCGGNPI-HQDYHJHZSA-N	566.013	6.605	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409044966	DYJCSMCPFNISTA-WOJGMQOQSA-N	538.373	5.468	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1ccc(F)cc1	409051890	OBONYJGLQZADOD-XODNFHPESA-N	566.798	6.134	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409053964	FCOPKXSWSRVJLE-VCHYOVAHSA-N	571.225	6.553	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	409061542	FGBMYSSGOJCMBE-MZJWZYIUSA-N	536.506	5.365	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1	409090684	NGRKCBCNWKKZFB-RIYZIHGNSA-N	641.194	7.485	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409117370	LMEVNBQMIMCVJZ-HPNXWYHWSA-N	628.150	6.817	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	409129950	LLLJCBHTOHXNCM-XJECJHNESA-N	661.007	7.197	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1	409130424	HUAIBNDAKIXKIO-MWAVMZGNSA-N	526.102	5.990	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	409157335	IROJIESGOGCMCZ-WCMJOSRZSA-N	587.460	5.287	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4cccc([N+](=O)[O-])c4)(c4ccccc43)[C@@H]2C1=O	409179794	TWSOONALUGUXMK-PKXDCDSOSA-N	591.023	5.523	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccccc1	409183583	DONNTFOJGAZDQZ-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1cccc2ccccc12	409191518	YBVHRXRGZYJPOM-OKCVXOCRSA-N	537.841	6.997	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1ccc([N+](=O)[O-])cc1	409217036	NLIQRCVJTMXXAA-HMAPJEAMSA-N	532.337	6.996	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409253005	VOQQGLDFCHXGAS-UUYOSTAYSA-N	609.464	6.097	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409255118	HFBZPTHXKUZCSJ-XKZIYDEJSA-N	653.473	5.657	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)cc1Cl	409262795	HIJKDUSFZFNQOW-JAIQZWGSSA-N	552.856	6.591	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OCC	409302586	JMOWMKWVKQPUSL-ZMGVVAQMSA-N	588.488	6.279	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409316811	MLXKXZPUWIKYDB-VXKWHMMOSA-N	562.475	5.119	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2)cc1OC	409321395	HKJKJVWRWIGDTR-NUJZUDFISA-N	619.310	5.709	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)ccc1OC	409321897	HRJUCCLXANJSTJ-QDTIIGTASA-N	580.248	6.101	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCc3ccc4ccccc4c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409322771	KZKAZXIXKKYOMP-DHIUTWEWSA-N	541.456	6.216	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1OCC	409326492	KYNCBISNRUAQIZ-MWLSYYOVSA-N	545.861	6.633	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	409367743	KFAFPELAHNNNDH-MOSHPQCFSA-N	526.330	6.241	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(Oc2ccccc2)c1	409371596	IMRIPQKFIXMHQU-KYHGBAKBSA-N	647.378	6.889	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1C#N)c1cccc([N+](=O)[O-])c1	409371700	KONPDRJETIBBKX-UWVJOHFNSA-N	633.183	6.319	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409373703	ZLIXTEAOVDHIHG-MUXKCCDJSA-N	599.334	5.496	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2OC)cc1	409377467	IJYBSEMNDZJNMN-LICLKQGHSA-N	559.928	5.939	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(I)c1OCc1cccc2ccccc12	409381254	SNMQBPDKRDGVGF-KBVAKVRCSA-N	579.438	5.984	50	40	KKGB	
COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c3ccccc32)o1	409392999	OOPLDBZFMATHSR-VBKFSLOCSA-N	504.340	5.377	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409394971	IHFKXGQLAHSLOK-UHFFFAOYSA-N	669.790	9.158	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409396193	WZJWTKASKMOYNP-UHFFFAOYSA-N	685.294	8.362	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409396323	XRFQEVQUWKHYDX-UHFFFAOYSA-N	675.288	8.906	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409397208	HKDBAXBYPRTRKE-UHFFFAOYSA-N	613.457	7.014	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCC(=O)Nc3cccc(F)c3)o2)cc1	409405259	SKBHIDPENRLUEC-KMUKQRDJSA-N	580.616	6.187	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)o2)cc1	409405646	UFESIMSOAQFNFU-AEVGBRMKSA-N	702.403	8.006	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1ccc2c(c1)OCO2	409405685	UNLOURWGCLPHGP-XFDYYPNTSA-N	647.728	7.465	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O	409406681	CAOFLYNSNHUHPP-HRJHUVGCSA-N	516.513	5.473	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409406972	YHYRYJOKZWGLOL-AQLQTECXSA-N	614.880	5.998	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Br	1529546100	CTKGUIWVFVHERA-GGMOOUJYSA-N	736.472	6.229	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1c(Cl)cccc1Cl	1783826	NJKMJYLMUKMFER-CWXWVLSBSA-N	599.540	6.189	50	40	KKGB	
COc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)ccc1OCc1ccccc1	2309613	VGZFJAXKMYQQFD-JOCHJYFZSA-N	534.037	5.638	50	40	KKGB	
Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccc(N(CCCl)CCCl)cc2C)cc1	4809292	USERMUBPPYDXTB-MTDXEUNCSA-N	504.483	6.139	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(F)cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136366	CIRAHYIPODMSEK-QNBQWMASSA-N	529.977	6.689	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	9404389	LNOMEYYICDATDC-XGICHPGQSA-N	507.163	6.013	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccc(OCC)cc1	20064479	QHIXXDPPQIOLCS-HHHXNRCGSA-N	517.651	5.499	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)OCc3ccccc3)=C(C)N2)cc1	20150310	MBSJJDOENMOSGD-AREMUKBSSA-N	515.591	5.099	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(CC(C)(C)CC3=O)N2)c1	20347715	KCCULDLZRQJTBB-DEOSSOPVSA-N	502.596	5.340	50	40	KKGB	
Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NNC(=S)N[C@@H](C)c4ccccc4)cc3N2)cc1C	36011662	MFMMVYFJDMMCDN-LDQXTDLNSA-N	516.593	5.030	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	58916704	SKCGWPQWZKIWBK-PBSQBQITSA-N	502.083	6.940	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	95682073	ZDRHSXVFEQIXGS-REOHCLBHSA-N	592.002	7.117	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2nc(-c3ccc(Cl)cc3)cs2)C1	97945302	SUEICVCBNJAYRV-UZLBHIALSA-N	521.397	5.379	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	97964184	YMFYAGRLAKCOKH-FLLGMRGPSA-N	655.549	6.054	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccc(N2CCOCC2)c(F)c1	97981201	IODDDBYMIWBWQL-KVQDIILNSA-N	600.716	5.207	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	100118696	BIGBVBRIFGBTTQ-UXHLAJHPSA-N	535.069	5.478	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Br)cc1	100119341	ZGAJFKQJYJPGQB-KBVAKVRCSA-N	613.965	6.240	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)cc2)S(C)(=O)=O)cc1C	100119851	WPJYWWBUAODWJG-ATZGPIRCSA-N	597.568	6.748	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100224515	WSSXQHAMTJRCJU-JCMHNJIXSA-N	614.045	7.197	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1Cl	100336224	XDFGTRCYEKWCKL-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1	100837048	OFIALDMDUKNJGY-IDJUBOEBSA-N	546.048	5.890	50	40	KKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1	100991993	GVQUKYMBCYYBEL-XMHGGMMESA-N	529.599	6.774	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1	101661218	XMGYJOYJJWWHIB-KBKYJPHKSA-N	571.052	6.502	50	40	KKGB	
CCCCc1ccc(C(=O)[C@@H](Br)CC[C@H](Br)C(=O)c2ccc(CCCC)cc2)cc1	103166814	LEYPJICSKLOKFJ-ZEQRLZLVSA-N	536.348	7.745	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1C#N	103843474	RGBHEBOWPCYAIF-FMCGGJTJSA-N	555.432	5.656	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OP(=O)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	118923692	IBWCMFBZOKGJGP-RLYASZRJSA-N	586.841	10.342	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2c(I)cc(/C=C(\C#N)c3nnc(NC(=O)c4ccccc4)s3)cc2OC)cc1	150520229	JYQDZUKIPOFASM-NCELDCMTSA-N	724.621	7.885	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	162395393	JLDFHWMUSKCMET-IZYHBKOJSA-N	665.134	5.841	50	40	KKGB	
FC(F)(F)C[C@H](I)CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	169795466	PIVOJTGCVXEFSI-RTBURBONSA-N	656.315	10.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539359	VWPPQCUIQQYZMT-MFKUBSTISA-N	603.502	8.104	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551832	MSSNBRQMJUONNT-AIMOZCANSA-N	729.473	9.347	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1Br	408579941	LRSHSKHMTRTZPK-RIYZIHGNSA-N	500.028	6.827	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408607160	NBVYTVBNMWZNFG-FQEVSTJZSA-N	542.463	6.084	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1cc(C(F)(F)F)ccc1Cl	408686197	MUIKTEDBPHOTQE-MVJTYMMSSA-N	577.770	5.269	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1	408710556	GGEVMCDRXADZMT-LGJNPRDNSA-N	548.231	5.572	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1cccc(Br)c1	408719687	PECFRVRLMQHWCA-GNUBZPRISA-N	576.450	5.416	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccccc1Cl	408726945	WIGPTSPRWRDYSI-YVLHZVERSA-N	513.775	5.941	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1	408746120	XKQPZAGFGWTQNX-NVMNQCDNSA-N	591.218	6.626	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408750320	ZZGRDESWPQKMGK-RDRPBHBLSA-N	629.476	5.321	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(Cl)cc1	408760169	SUVYPHIQWZFLMD-ZDLGFXPLSA-N	637.699	7.230	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccc(C)cc1	408767829	PKGKQEJBDWNOAJ-UHFFFAOYSA-N	548.149	6.629	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(I)c1OCc1ccccc1Cl	408773281	JSYSSGOPCLGZKE-JAIQZWGSSA-N	602.856	6.865	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408788093	AZUXOOKITLYBMB-OMCISZLKSA-N	723.563	8.289	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408793258	DPOFWUPMLGXPEI-CAOOACKPSA-N	605.670	7.206	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1C	408799443	ZDWSUDWRQSNTDS-VXLYETTFSA-N	679.252	6.546	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	408812734	XFBFVCVXWVLBAA-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1C	408819284	PTYHJBGKXNUISL-MYYYXRDXSA-N	570.722	7.295	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408824670	HCQLVXFXLFGHFP-BUVRLJJBSA-N	709.924	7.955	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408828977	KBZNZMWYPNWWCE-FABQOPTDSA-N	646.980	6.970	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1cccc(C)c1	408830427	OHETXMDTXXSMKK-JVWAILMASA-N	597.509	7.778	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccccc1	408836107	ZEWLGOLNFTUVTB-YDZHTSKRSA-N	685.345	8.310	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408840486	CACOUVGXMQWZFD-CHSHITCJSA-N	677.624	9.129	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(C)c(Cl)c2)cc1	408840972	HUYLTVVZUFBLCM-VTNSRFBWSA-N	627.992	6.472	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(Br)cc1OCc1ccccc1Cl	408844124	CCKKRXCWCBIJRC-IPBVOBEMSA-N	661.572	7.075	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1ccccc1	408849782	YZOFXCHLIRNCBH-WYMPLXKRSA-N	505.210	5.148	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1	408850437	AEHPSZDTQWVLCZ-IPHFVPNQSA-N	578.510	7.867	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2ccccc2o1	408859735	YPKYSMKVTFWQJU-PPDIBHTLSA-N	565.194	6.687	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccccc1C	408879996	GMAAGMPLPKXAOV-MZJWZYIUSA-N	593.259	6.104	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408883898	XCJFAHKISONXSI-XNTDXEJSSA-N	518.334	5.215	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408904103	DUUXMVVWEQPUEQ-ULPWCQAASA-N	630.164	7.960	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I	408947402	CJCZCXCLVSKGDH-YVLHZVERSA-N	623.232	5.208	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1C#N	408951111	LIFDABJJUZHCII-CFRMEGHHSA-N	569.459	6.046	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(OC)c1	408952658	WKEPMULUBNMTCM-YTTGMZPUSA-N	717.642	6.075	50	40	KKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	408955539	YIKHRFXLALHGJQ-SKBUGYKVSA-N	524.209	5.908	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1Cl	408983602	GTNPAMKSFUTNLN-ZDLGFXPLSA-N	526.774	6.444	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(C)cc1	408984880	UBBIYIKFKIOCBS-NHDPSOOVSA-N	539.857	7.243	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1Cl	408986815	NFIFACXONQJSMG-NVMNQCDNSA-N	560.673	7.298	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409032163	LAJUDYIQXRAMEX-UHBFCERESA-N	562.420	5.379	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409034629	IDZDAQVODNONAP-QLQYKETESA-N	525.583	7.537	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1	409047114	NCPJETDVSRIOJZ-LICLKQGHSA-N	587.224	6.253	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409071685	KYTFEGYVYDOHBT-LFIBNONCSA-N	547.814	5.424	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1	409074867	NIZNIVKMIGHIMG-XNTDXEJSSA-N	580.229	5.664	50	40	KKGB	
Cc1ccc(COc2c(Br)cc([C@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2Br)cc1	409137971	XNPOXYUTYUIYFK-JOCHJYFZSA-N	542.227	6.023	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(I)c1OCc1ccccc1Cl	409145949	QXPMEGGFPYVEFI-RWPZCVJISA-N	578.834	5.624	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409175084	PQISICIHUZYRHI-VFLNYLIXSA-N	592.277	5.425	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cc(C)cc(C)c2)cc1	409183382	BNEYSEUHANZFJF-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409215395	XVGXXBRPQPWKKX-UVHMKAGCSA-N	609.873	5.213	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409217743	AYBSAPWBCHVFRO-KGTZUASHSA-N	623.578	5.537	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409223657	HMPOGUGYBAMSSJ-ZMGVVAQMSA-N	566.828	6.882	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1	409254975	GNBYEIIEYOCGRN-ODLFYWEKSA-N	627.289	5.870	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)cc1Cl	409268143	QMEWFMUCFWHORF-LZYBPNLTSA-N	638.143	7.390	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)ccc1OC	409309247	DJOPKCUYRJUGLP-CPDSRJINSA-N	604.885	5.608	50	40	KKGB	
CCCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1	409309748	LYKLLNDOQAILAL-MWLSYYOVSA-N	590.312	6.742	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1OC	409314533	GOZZLKDJXYYCIT-ZMFRSBBQSA-N	548.231	5.572	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1OC	409316776	QXIYTRJPEZVMNU-NTFVMDSBSA-N	509.400	5.674	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OCC	409319269	CRSOUULCTHLOKR-ACXHZZMFSA-N	558.462	6.271	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	409321699	HAFGGBNSLKMPNK-DBFSUHOCSA-N	546.407	5.109	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3F)NC(=O)[C@H]2C(=O)OC)cc1Cl	409326182	HWQQBIITOXHFOW-PMACEKPBSA-N	631.307	5.403	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1	409328059	YNSDSJFQKCNBGY-PMACEKPBSA-N	632.842	5.240	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	409352510	ZJHWOMXMTIOPFX-KKMKTNMSSA-N	551.666	6.006	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409371610	FGZPICWNGGCCLU-BCHBDCPOSA-N	710.093	6.383	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409374417	PBGBPAJUQXWYIQ-NDENLUEZSA-N	500.986	6.314	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1	409388927	YCVUFIXUTXIURD-GZTJUZNOSA-N	574.353	6.040	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409395358	MQOQUKWBFKQRQC-UHFFFAOYSA-N	695.795	8.395	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409395497	OHZDQQJFVSCWFL-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)cc1OCC	409396049	VTEHXECXRUYXAQ-UHFFFAOYSA-N	660.952	8.031	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409396527	YVBZUYJQAGWNTO-UHFFFAOYSA-N	764.814	7.802	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409399151	YASQOMPMSARRGM-UHFFFAOYSA-N	630.837	8.797	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)OC(C)C	409404683	QPHZZJNZHGCBDG-UHFFFAOYSA-N	559.619	5.369	50	40	KKGB	
CN1C(=O)/C(=N\NC(=O)c2c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n23)c2ccccc21	2247580	QFJWQPONTFJOHO-BFYITVNDSA-N	524.584	5.115	50	40	KKGB	
N#C/C(C(=O)N1CCCCCC1)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	2366946	RRFHAMTYWUFDND-MDVMQCDRSA-N	500.451	5.822	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1OC	2706583	ARBAEYYJQKWBLR-LQKURTRISA-N	566.481	5.347	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)Cc1ccc(N(CCCl)CCCl)cc1	4824076	BXXZIBGWNLYILD-DQUDHZTESA-N	546.579	6.957	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136365	QWYTWCUOTIWUPQ-QNBQWMASSA-N	590.883	7.313	50	40	KKGB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	6445848	VIKSXUJRLQLIDG-RNBKDOAQSA-N	516.406	7.195	50	40	KKGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	8843122	IXDWRVRTLHPHEG-DHRITJCHSA-N	514.401	5.320	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(SCc2ccc(Br)cc2)N1	12633561	RXGIAKSKJQYECP-UHFFFAOYSA-N	508.485	6.884	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1	13174300	NIYLKQCYWJKTLI-VWLOTQADSA-N	506.071	7.180	50	40	KKGB	
Cc1ccccc1N1C(=O)[C@@H](Cc2c(Cl)cccc2Cl)S/C1=C(C#N)\C(O)=N\c1ccccc1	13749147	WDIVLBRZDYIKGQ-UEKTYDJUSA-N	508.430	7.016	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2cc(Cl)cc(Cl)c2)cc1	19926467	DXJNYHBEPYUTOK-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2c(C)cccc2C)=C(C)N1	20347587	WLICSHPQZZHSCW-HHHXNRCGSA-N	526.662	6.165	50	40	KKGB	
COc1ccc(/C=C2\C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)/C(C#N)=C(\C)N)cc1	25424241	WILCZCMGHLBOOA-PMPATKSBSA-N	523.633	5.875	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)c(C(=O)OCC)c1C	35128864	CXUCGCYACXBHGB-DEDYPNTBSA-N	519.575	5.591	50	40	KKGB	
CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1Cl	38650365	FALLLOXLUQOUFO-HSZRJFAPSA-N	511.361	5.838	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	58913129	DITVNHWHLUCOBC-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl	59224839	WTSVXCDQISNHKE-MTJSOVHGSA-N	511.405	6.203	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1C#N	59333034	LPDORACNWGVXNG-IWIPYMOSSA-N	512.997	5.055	50	40	KKGB	
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(c3cccc(C)c3)C(=O)C(C#N)=C2C)cc1C	97946794	BJSQUUDFZKDYJQ-VUTHCHCSSA-N	540.623	6.518	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1	97951259	QPFKAEOIDPYECC-DEOSSOPVSA-N	508.043	5.786	50	40	KKGB	
COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cccc(NC(=O)c3ccc(C)s3)c2)c2ccccc2n1	97965669	MTANPXUGERJCSH-QXUDOOCXSA-N	534.641	6.687	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048753	NXYUZHNJICXNKP-HHHXNRCGSA-N	544.608	5.246	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3Br)c2C)cc1	100100562	NXJXCJVUNPXGRC-RPPGKUMJSA-N	549.332	6.311	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1cccc(Br)c1	100120442	XKZJLNRAMJGZGD-KEIPNQJHSA-N	584.562	5.938	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc3ccccc23)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	100225405	NONOVALVRIDYCD-ACXHZZMFSA-N	523.467	6.722	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccc(C)cc2)cc1	100242918	JPNNZZVZCZQYPZ-BIZUNTBRSA-N	562.667	5.286	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccc(C)cc2)cc1Br	100285929	HRIMATXDMRVIIC-KCSSXMTESA-N	623.573	5.828	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292956	KVCUGCJWESLCOO-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(I)c1OCc1ccc(Cl)cc1Cl	100335885	PDFZMCIQPXYINK-RQZCQDPDSA-N	585.269	6.541	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1	100859070	OXQLRGKZJQCBFK-LQKURTRISA-N	526.449	5.882	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1	100990703	FGWRCDKDVOVDRJ-GFPZRUSRSA-N	541.982	6.101	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	101000256	GZJNMBYLFPXQQA-NDEPHWFRSA-N	587.101	6.223	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	102933801	OYHAXGIFEBKDGM-WQRHYEAKSA-N	527.802	6.244	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1cccc(F)c1	103754220	DPQVMLJOHBHLOU-IPPBACCNSA-N	542.573	5.744	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)/C=C/c1ccccc1	105627072	KANLIDAOHKYKKQ-JFAZSCFDSA-N	533.584	5.720	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	107780287	KRZZASBPZHKBAN-RPPGKUMJSA-N	500.363	6.459	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342178	PINWXWYSLKAQHS-UWTATZPHSA-N	792.030	9.658	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	164734070	PDWQDFNOBOTLKT-NVNXTCNLSA-N	662.536	8.139	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)c2ccc(C)cc2)cc1Br	211029967	YDAWXRCDKUCNLQ-WPWMEQJKSA-N	564.889	5.155	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552911	SFUJZNLOBXUICA-RQZCQDPDSA-N	580.693	7.890	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	408579558	HUYGUCUQTHVDJR-RQZCQDPDSA-N	501.797	7.046	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	408581637	YFENJXYMOZLCCS-WOJGMQOQSA-N	514.173	6.763	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1[N+](=O)[O-]	408599542	VZUMLSPMZBTFEY-OPEKNORGSA-N	523.170	6.007	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	408610904	OXIBBNGVJVTCGK-KNBZMSCYSA-N	528.289	5.819	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408639223	FDSSKOYLFPPXDE-YCAMKHIRSA-N	719.770	6.203	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408660847	XAZBLABEWOLMQQ-CPIJNGAXSA-N	691.631	6.009	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)cc2)cc1	408672857	XPXXLNXYXUYRIX-UHFFFAOYSA-N	552.027	5.153	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1cccc(F)c1	408676143	GCBBFMARGZOTKC-MUFRIFMGSA-N	573.406	5.382	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408712007	VLNVGFGCEANGOM-LUOAPIJWSA-N	634.095	6.712	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	408730155	OAOKCWJEYQNHAV-FMFFXOCNSA-N	636.568	6.081	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1	408745551	NTOIZRJMFOSIMX-ZDLGFXPLSA-N	512.349	6.425	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1cccc(C)c1	408746755	GQRXFOHIARDKNF-ODLFYWEKSA-N	556.254	6.653	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)ccc1I	408748094	YHYYGZKFPJZYGC-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1ccccc1Br	408760291	WFEFUJISLRMVCK-DTQAZKPQSA-N	526.184	5.976	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1C	408793810	GQVHAMOBLFTEAU-VXLYETTFSA-N	585.252	6.861	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(I)c2)cc1	408809800	JHDATRUUVIDGSS-NDENLUEZSA-N	542.348	5.241	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1	408821292	FTWVDOWMHOZZBP-OYKKKHCWSA-N	557.444	6.422	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408830056	LGTFQLYQAQZQNJ-VTNSRFBWSA-N	583.085	5.549	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(F)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408832224	RREMOSTUNXEOTO-CNCDYAKUSA-N	617.486	5.514	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccccc1	408837113	YXVXSQXSZHTFAB-PCLIKHOPSA-N	664.927	8.047	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccccc1C#N	408838605	GTZQTPCGGWWLQS-KULFSUQXSA-N	672.992	8.193	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccc(Cl)cc1Cl	408866425	FUGMBODHHKTJQU-OAFDYIQSSA-N	645.340	6.723	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc2ccccc12	408871782	ZYPVJGSLFZPVAO-CIAFOILYSA-N	536.937	7.645	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	408872875	KMZQVLMCVYDGRY-HWIUFGAZSA-N	572.731	5.103	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	408886874	JOGBCLAHJNUPQE-IRWBXMRWSA-N	629.491	8.637	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1cccc(Cl)c1	408886931	KDZDEDSKFCTWHO-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OCc1ccc(Cl)cc1	408889093	DOKUNQLUTRLYGT-LICLKQGHSA-N	670.672	6.682	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OC(=O)c1ccccc1	408893178	FXALRMSZPSYUIF-CXUHLZMHSA-N	512.305	5.675	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408893899	GSVMUEGEOSEASP-JAVXJAORSA-N	702.380	8.645	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(OC)c1	408900284	URMUNQSWXMUWPW-CIAFOILYSA-N	635.414	6.494	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(OC)c1	408923716	KSRBVWQVAJFCMW-MOEPSENCSA-N	685.959	5.410	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408925169	QHNAXFWOWWQJPY-LZYBPNLTSA-N	621.669	6.906	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408948758	GIUKMQOVDSPUSY-JMIUGGIZSA-N	535.387	6.228	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccc(Cl)cc2)c(OC)c1	408957168	SPHGHKXBRPBKKR-VOSMKULASA-N	811.855	6.015	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408970281	FGXFQCXBJFZWFF-DPQNAYNPSA-N	586.516	5.826	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)cc1C	408988335	DFLNMVUSICBYJY-UNYAEPIKSA-N	637.743	7.198	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1	409003139	RFLJNBXMOFEXCZ-MUFRIFMGSA-N	546.377	5.586	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1I	409015724	DLJXGVOTVQGOJK-QDTIIGTASA-N	555.759	5.905	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(Br)cc1	409034288	NLYIVRPDGDXOPI-FDAWAROLSA-N	523.434	6.836	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Cl)cc1	409045203	IAKFOWKIKNCUQU-DLCNMLRHSA-N	570.432	7.250	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cc([N+](=O)[O-])ccc1O	409046818	MNNFEAJXJQXERF-KIBLKLHPSA-N	677.620	5.506	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	409048708	USKAGXHXLYWOTL-CXUHLZMHSA-N	621.263	5.742	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)c(Cl)c1	409051628	BRUGEGQGULAQQN-LUOAPIJWSA-N	573.645	6.903	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409063688	DQLQEZCNRMXEKP-MHWRWJLKSA-N	505.335	5.742	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1	409143205	ZOFXLVQDQFKSPS-QHCPKHFHSA-N	542.861	5.810	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409147018	VWPRWSOJAPKVGC-LGJNPRDNSA-N	532.778	5.291	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc2c(c1)COC2	409148554	QMDCQHIGFFFUSA-JMVWUNFCSA-N	525.786	5.515	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409164071	CDFRKMHLONCCJN-AMVVHIIESA-N	557.434	5.115	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C(F)(F)F)cc2)cc1	409166030	CDNHTRPPFWJWMK-PUHLOBNQSA-N	619.438	5.375	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409174364	TWGVAAFUNXHLSK-BRJLIKDPSA-N	563.202	5.471	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccco1	409218549	FUORTAGKQICKNS-UHFFFAOYSA-N	517.925	5.177	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409223724	IFYMLXVCAXUZQE-NGOKJVHISA-N	603.418	6.537	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409234281	KBXOKAPMEKMCTG-ODLFYWEKSA-N	602.407	6.738	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409269739	MHWKOAHDEGICTI-KOKCXWAISA-N	654.192	8.004	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccccc1	409306322	ZNCXXYNGTZXBMX-APTWKGOFSA-N	589.486	6.778	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC	409317095	OROLSGGRWUEOCO-DICXZTSXSA-N	587.383	6.009	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409326789	OFOIXOYAVWNTJO-NHCUHLMSSA-N	568.866	5.155	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409333139	IXBNLCWZJQWOTA-NHCUHLMSSA-N	582.893	5.464	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1F	409370298	OJGCXFZNIZKFMW-YVLHZVERSA-N	583.370	5.458	50	40	KKGB	
O=C(NNC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409381743	JKEISDVNPYHOQK-IZZNHLLZSA-N	698.899	5.196	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409383673	ZKXBRUBXGRPDFJ-KKMKTNMSSA-N	513.263	5.707	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccccc1	409394868	GWQUOJOVGRFMFJ-UHFFFAOYSA-N	556.391	6.720	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)c(-c3ccccc3)c2c1	409397889	PEGZSWUGJDHUPE-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(C)cc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409399186	YGXDRWJRFWCGQM-UHFFFAOYSA-N	626.109	7.586	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccccc4F)c([N+](=O)[O-])c3)o2)cc1	409407100	YXVGIARRLCGNNF-RODHXAHZSA-N	704.509	6.857	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1	1529547889	QYOOESBSCWFBHZ-FAUQODKRSA-N	716.010	5.295	50	40	KKGB	
CN([C@@H](c1ccc2ccccc2c1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)[S@](=O)C(C)(C)C	1857795070	KFGARSGGJZRQOI-JNERXHHJSA-N	667.855	9.513	50	40	KKGB	
CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)c(-c2ccccc2)c1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)c(-c2ccccc2)c1	2362803313	YLBXMVSXNPJTJX-UHFFFAOYSA-N	672.689	9.552	50	40	KKGB	
COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc(C(=O)OC)c1	2200353	PMTYEEYNOARMKY-RGEXLXHISA-N	537.553	5.619	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3sccc3C)nc3sc4c(c3c2=O)CCCC4)cc1	2223821	PTRCYCDXEBDYOZ-LGJNPRDNSA-N	508.694	5.247	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(F)cc1	2301446	VNRHUOFDRVPFCE-LZYBPNLTSA-N	507.186	7.547	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cc1OC	3332487	PVKDBNCMFVYEPC-XMHGGMMESA-N	501.539	6.247	50	40	KKGB	
CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CCCCBr)c2ccccc12	4045141	DBMSSSXFRDYCAD-UHFFFAOYSA-N	518.495	8.203	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@H](c3ccc(F)cc3)Nc3ccc(Br)cc3[C@@H]2[C@@H]1Cl	6445828	GRCLJBJEWJBFNF-RNBKDOAQSA-N	533.850	7.535	50	40	KKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1	9432053	ZHTCIXWHLMNKHK-LTGZKZEYSA-N	523.054	7.360	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc4ccccc4c3)nnc2-c2ccccc2)cc1	9477886	ATCSNNRQLKIAAL-COEJQBHMSA-N	507.619	5.729	50	40	KKGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1	13940184	MUUGDJAFKBBZOO-PTGBLXJZSA-N	503.624	5.829	50	40	KKGB	
COc1ccc(C(=O)C/C(=N/N(C(=O)c2ccc(OC)cc2)c2ccccc2)c2ccc(OC)cc2)cc1	16978191	XLPDYOYXIKASSU-OVXWJCGASA-N	508.574	6.037	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1	19826122	HTDWDOUPOZDFPB-OGLMXYFKSA-N	510.450	6.182	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)N1CCN(c2ccccc2)CC1	59333380	KNJXDIKNLWPNTK-JWGURIENSA-N	520.402	5.423	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Cl)[C@@H](Cl)c2cccc([C@H](Cl)[C@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	68563516	QGMPHGMLCHYYHU-MYGLTJDJSA-N	604.186	7.839	50	40	KKGB	
CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4o3)c3cc(Br)ccc32)C1	97940063	KDBOCECLKIZFHX-INCYBUHBSA-N	596.551	5.408	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)c1	100100150	SXPHOVMOGUDEQQ-KPGMTVGESA-N	580.979	8.183	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1	100239998	DFWXZIQBXDGDSN-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1OCCSc1ccc(Cl)cc1	100314882	ULJOLZANUMSFTC-STBIYBPSSA-N	582.107	5.316	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1	100846814	JFBCYRLSCMHAGK-VYUMYAIBSA-N	528.848	6.712	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C\c1ccccc1OCc1ccccc1	103248515	UYPWDSVTMJIPKH-OWKXQNKPSA-N	561.111	5.940	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Br)cc1	103755051	AWSVHNAVTKCRML-JAIQZWGSSA-N	617.281	6.804	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(I)c1OCc1ccccc1Cl	109043667	HWPPLPWZOZUUCG-ZMFRSBBQSA-N	550.780	5.392	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	150351985	QVRVCHZLVYHEMR-IQURXNKESA-N	684.634	5.264	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795303	SGSBRPZTEMQATO-OCAPTIKFSA-N	602.032	7.329	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccccc1)N2	245232557	XLQGIDCCNPDMRP-NCIBMYPZSA-N	516.044	5.281	50	40	KKGB	
CCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1)OO	299817257	PJEDIANARLMFBK-UMEVXXDVSA-N	681.099	13.221	50	40	KKGB	in-vitro
O=C(COc1ccccc1)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408529014	ZKUJVTURHYOBER-RPPGKUMJSA-N	646.650	5.657	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OCC)c3)cc2OCC)ccc1OCc1ccccc1	408539851	KCIDHAYWGYZSSU-WJPIIEFQSA-N	709.239	9.037	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2Br)c1	408551973	QGPDJABNUMJTGH-UDWIEESQSA-N	532.463	6.694	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)cc1Cl	408579973	MCSVBUNGDKJCSG-NTEUORMPSA-N	543.653	7.241	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	408582472	OGVORUDCROKWPQ-FYJGNVAPSA-N	521.411	6.247	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(F)cccc1Cl	408612393	VFHZTEBLVUTIJI-FJEPWZHXSA-N	511.981	5.280	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408637608	AUMRFSXEXZZKGT-BDTNDASRSA-N	533.839	5.572	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)c1	408639214	WLNLTCIJQSFLJF-WXVAWEFUSA-N	552.042	6.826	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	408672961	PQEMEIITEBONKI-XNMGPUDCSA-N	642.289	7.698	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408710794	KWTOYWXVPYMHON-IPBVOBEMSA-N	572.670	6.769	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)cc1	408742501	ANGFTEMEVCSOLB-BWAHOGKJSA-N	509.581	6.757	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408744431	FQNUQHRMNARQNM-XKZIYDEJSA-N	517.810	7.380	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745979	PSHVXIWNUPBOMV-SXGWCWSVSA-N	536.640	7.534	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1cccc2ccccc12	408755332	UDCXYPHBGIFKFT-HMAPJEAMSA-N	653.314	7.730	50	40	KKGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc(I)c1	408756484	VPDKZVLVLMQBGC-KGENOOAVSA-N	580.403	5.758	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(I)c1OCc1cccc2ccccc12	408762739	LBYIRAPMDPYHHH-BKUYFWCQSA-N	686.287	7.182	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408766448	QUMPMDKREMFXLH-IUXPMGMMSA-N	590.655	6.688	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408788715	MFFNJTCOXBCAEM-MFKUBSTISA-N	613.464	6.860	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1F	408789202	OMCWMRKSYHANBA-UDWIEESQSA-N	556.375	6.262	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1cccc(F)c1	408790082	NFXLALISDUYKJH-VCHYOVAHSA-N	558.347	5.659	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408798236	VKQGGGANGWRUFV-LFYBBSHMSA-N	671.056	5.690	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(C)c(C)c1	408805319	GFIBESGMLXYLBT-FSJBWODESA-N	566.439	6.658	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408808591	MQAJJHCOKREEQG-RGVLZGJSSA-N	525.388	6.303	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408831910	HROQVVFYOWSAQD-OVVQPSECSA-N	637.961	9.268	50	40	KKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c2ccccc21	408838728	HORBKCGVAHNHKO-IZYHBKOJSA-N	587.108	7.846	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408838741	ZYZAFQUHDXGOED-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	408841892	IMWXJESFUFBCBY-KKMKTNMSSA-N	515.473	5.767	50	40	KKGB	
COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408844255	NCEQLPVPSGYOLA-AMVVHIIESA-N	609.502	5.949	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(F)cc1	408845012	PYLNANOBDKITFG-IZYHBKOJSA-N	659.581	8.505	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(Br)cc1	408845758	ROFZOHDRNZWIPX-HBHSWBPBSA-N	712.386	8.101	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1	408846944	OHBAZLHXGCTYDC-FXMZOFOKSA-N	597.090	7.608	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408848422	WEGVWGGNNJKILB-XJECJHNESA-N	721.973	7.860	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)S(=O)(=O)c1ccccc1	408863024	KCHZWALUWMGCDZ-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1Cc1ccccc1Cl	408865676	DQEQFOKVINGEMJ-CIAFOILYSA-N	570.858	7.097	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408879110	CLUXQSWTJUAPFM-XNTDXEJSSA-N	731.262	5.126	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1ccc(Cl)cc1Cl	408883026	PZWZNIRAGVXULL-AWQFTUOYSA-N	620.327	6.974	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2)cc1	408887886	UQDZUQNOHWKMLP-IBBHUPRXSA-N	524.568	6.486	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OCc1ccccc1	408890920	IKPKZBNTZBKQFM-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408891850	CUIZVJZNYKTSBF-WOJGMQOQSA-N	571.995	5.277	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OC(=O)c1ccccc1	408895672	NUFJMMKWIXIDAK-OGLMXYFKSA-N	518.367	5.232	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408896535	RRZFEHOECHXYAV-BHGWPJFGSA-N	505.270	5.375	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc2ccccc2c1	408904157	FPRATNYFVPFVKN-ACXHZZMFSA-N	543.963	6.889	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408968311	VGAIJYBZSVQMCW-PNQUVVCRSA-N	568.321	5.397	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408971497	GLXBGONRXHHZHP-RUVDFQCNSA-N	526.464	5.762	50	40	KKGB	
CC(C)COc1ccc(Cl)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408972480	UJLBVSSTLKJTOL-VUVRKBHTSA-N	556.918	6.130	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cccc(Br)c1	408995329	MIHNWWQLZFZUCQ-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)c1	409010393	DQOCZXKMVOCNKC-RPPGKUMJSA-N	576.232	6.280	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccc(C)cc1	409035943	KPZPQWZOEYDDLR-XZYGTATASA-N	641.591	8.366	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)c1	409056063	KPBFKLRNBGJJKT-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12	409064846	QENUXGMOAPEYAN-PUHLOBNQSA-N	551.965	5.833	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1	409067879	DLXGVJPBANZZJL-SFQUDFHCSA-N	575.824	5.202	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(F)cc2)cc1OC	409111933	AKXRCGHHGYHDHI-UHFFFAOYSA-N	547.693	5.815	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409118560	ODNSXXKIOHDYQL-UZWMFBFFSA-N	592.073	5.304	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1ccc(C)cc1	409186435	BZOJRGBAMWGOBQ-MZFJOGFUSA-N	512.606	6.610	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc(I)cc1	409190736	VTFIKGMLAAQLHR-YVLHZVERSA-N	628.248	5.449	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409217829	BZVRHFHKRAEGNK-UHFFFAOYSA-N	745.178	7.118	50	40	KKGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC	409219302	LBHODXGMMCIOMB-OHUYPAJKSA-N	612.595	5.164	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccccc1Cl	409234228	JGFYOEOCDSWZSF-KBKYJPHKSA-N	505.427	5.230	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(I)c2)n1	409239714	DIDXUUPLCWLXRV-OPEKNORGSA-N	566.852	5.173	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409243835	UYDYAMCJSMYFPQ-OBLBUWMUSA-N	560.275	7.128	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)c(C)c1	409252882	UJJAPHUKFNLWQX-NVMNQCDNSA-N	528.823	6.827	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)ccc1OCc1ccccc1	409255526	LSCYEZSTFAYPCT-UCMJSZAQSA-N	537.616	5.754	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409255551	LZHSLBMDYOXOCG-ODQASSKESA-N	725.452	8.413	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)ccc1OCc1ccccc1	409262034	CBIRGNPLGRKSBK-FZKWRIDDSA-N	572.061	6.408	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409262844	KEICQOJEFRDUNN-GZTJUZNOSA-N	587.801	5.516	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Br)c2)[C@@H](C(=O)OC)C(=O)N1	409336378	RXSXBVVAEMYZLJ-FCHUYYIVSA-N	651.377	5.201	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409371662	JLLNXBMXFFGYPE-KQWNVCNZSA-N	501.399	7.639	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)c1	409394718	FBNWJFZHAIBHPO-UHFFFAOYSA-N	734.659	9.612	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccccc1	409395973	URUDWDUVFJLWMW-UHFFFAOYSA-N	669.732	8.136	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409396405	YDBAHZIOXJPBQI-UHFFFAOYSA-N	689.360	7.634	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409400200	BZYQQDFBSJZKRB-ADJDCTSUSA-N	744.413	8.529	50	40	KKGB	
COc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409400259	CIJIIJSLZLATDO-FDVSRXAVSA-N	552.425	5.810	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	1529544413	CZTZKZWOOOUYIE-OOGQYTPFSA-N	810.452	5.360	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccccc1	1067148	BSKRFAOAFBOTKT-LJAQVGFWSA-N	538.673	6.019	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)c1	8811103	LFTRVNRTUMIMPY-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
Cc1cc(C)c(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCCC2)c(Br)c1	9190706	ICAZEJJEQQGMMK-LQKURTRISA-N	524.463	5.079	50	40	KKGB	
CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br	12137084	KALHDTKDGPYRMR-GOSISDBHSA-N	513.432	5.790	50	40	KKGB	
C/C(=N/NC(=O)[C@H](C)Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(F)cc1	13882008	WQJSOYDVILXFGC-YCPIRWLTSA-N	523.037	5.693	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCc2ccccc2Cl)N1	20347840	KTLSFMRBGVSFSM-AREMUKBSSA-N	521.469	7.366	50	40	KKGB	
O=C(CCCCCCCCCCC(=O)N/N=C\c1ccc2c(c1)CCC2)N/N=C\c1ccc2c(c1)CCC2	33378797	BMBXCYQILKFNFZ-DQWRGTGXSA-N	514.714	6.165	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)c2C)c(C)c1	58915411	PDTMWSGWOMYLBF-NDZAJKAJSA-N	514.651	5.300	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc(OC)cc1	97944389	ZORSERDOGQJVCH-RGXNXFOYSA-N	537.572	5.329	50	40	KKGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1ccc(Br)cc1	97944472	INZBLDRXMNTSMB-OVKKOYPGSA-N	527.492	5.168	50	40	KKGB	
N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O	97946880	CFDDSKDTLOUYFC-PKIWBCANSA-N	553.423	5.170	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(OC)c(OC)c3)n2-c2ccc(Cl)cc2)cc1	97959532	JYERYUCUUJRCGX-RHANQZHGSA-N	552.056	5.246	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	97964214	QFPAWPUYMFULER-BRXTVMOCSA-N	591.620	5.263	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122379	UNYBIISYMISHQJ-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C\c3ccc(Oc4ccccc4C#N)cc3)c2=O)=C(C#N)[C@H]1c1ccc(Oc2ccccc2C#N)cc1	100297021	BDCHCTAGRPHBDK-UGPZJXAXSA-N	616.662	5.189	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(Cl)cc1Cl	100895236	VDKKWPJLJKNJDC-MBTHVWNTSA-N	530.868	6.527	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	101074470	BOEVNNMVPUBBAR-NZCCEVMUSA-N	521.708	7.184	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)OCC)=C(c3ccccc3)N2)cc1	101305207	VYWATVMDMVWKPO-GDLZYMKVSA-N	586.157	7.451	50	40	KKGB	
COc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1OCc1ccc(Cl)c(Cl)c1	101666110	VOMGJBFHVMFHMN-WCMJOSRZSA-N	571.461	5.852	50	40	KKGB	
CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528200	ZERJLZPYXTYCKD-JTQLQIEISA-N	536.207	8.034	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	103528702	TVVFWKJSCOFXHK-OAQYLSRUSA-N	540.483	10.419	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(F)cc2)N=C2CCCC(O)=C2[C@H]1c1cccc(Cl)c1Cl	104102125	AJUAJVGIXNFBCU-NRFANRHFSA-N	502.398	6.774	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccccc1	104704106	YGIFDFLGVRWILR-PPOKSSTKSA-N	605.116	5.727	50	40	KKGB	
O=C(CSc1cccc2ccccc12)N/N=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1	108881183	FMBWLNZDBHFRFT-FDVSRXAVSA-N	523.427	6.563	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H](Br)[C@H](Br)[C@@]21C	123289925	PHKGSDJTFGIGIZ-BQTMCWJDSA-N	590.437	6.913	50	40	KKGB	
Cc1c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)ccc(Br)c1Cl	150401537	JBPMOWFLFUBGDW-LNKWTTPSSA-N	673.627	5.739	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1	150494938	BXSPKLUXBYEVFI-FDALDRLYSA-N	661.611	7.569	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408537648	GQVKCKDVGHHDEC-PMHDSTOGSA-N	763.714	9.645	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OCC)c2)c(C(=O)OCC)c1C	408546036	CZCSWDLEVXRMNS-YZSQISJMSA-N	611.716	7.260	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccccc1C#N	408547990	BKJGPHZVPKHRGL-ROTLSHHCSA-N	542.376	6.968	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	408555884	ZJLQFAWVBWJLPW-CXUHLZMHSA-N	547.192	6.746	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	408566959	BXAZKFSBFSHEEJ-PNQUVVCRSA-N	602.392	7.887	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408568596	KPHLBXPINGCLMX-HMAPJEAMSA-N	541.424	7.515	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408580516	CDIBARAGMIUMRX-RGVLZGJSSA-N	602.856	6.742	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1	408610538	NVXGFRMINDEOAE-FJEPWZHXSA-N	532.399	5.979	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1OCc1c(Cl)cccc1Cl	408611393	WBYLFQKSJBAOHI-INIZCTEOSA-N	500.382	5.077	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1	408612410	YIPBNQKMAZTHLL-SFHVURJKSA-N	514.409	5.467	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408675759	ABQNYYGDAKENTF-MWLSYYOVSA-N	589.861	5.896	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(I)c1OCc1ccc(Cl)cc1	408725280	GSJSCRYOOIPGRK-MZJWZYIUSA-N	564.807	5.695	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408738412	XBTBFWRMDHEJKO-FDAWAROLSA-N	533.397	5.553	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc2ccccc12	408742266	OAWCDWYUPJCRFV-ZSTTVQMRSA-N	706.640	10.079	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408747273	LLYCASSESTXPGT-OJYCWLPVSA-N	691.363	7.172	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408768279	DRCOTMYLRSGPIZ-HMAPJEAMSA-N	615.355	6.989	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408790959	ZRWULQAXNOGJHG-VUTHCHCSSA-N	589.091	8.596	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1C	408795019	JWGLHAPFAKAMPR-KEBDBYFISA-N	584.264	6.651	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Cl)c1	408795915	NQWFYMQDGMLAGN-LICLKQGHSA-N	532.740	6.208	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1cccc(C)c1	408799594	ZOEIKQLSOMAMAB-UDWIEESQSA-N	572.830	6.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Br)c1OCc1ccc(Br)cc1	408802220	YMVQJQWPSBJVTB-UURSIYQISA-N	576.329	6.791	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1C	408807228	CMUQNGCEYQTEIX-MOHJPFBDSA-N	534.685	7.141	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408849486	ZELQLHGGJNTDBD-LALXJTNGSA-N	691.651	9.519	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Br)cc1	408851789	OAROYYZNDZREHU-MUXKCCDJSA-N	572.253	6.699	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2	408858948	UVIDLYWBBJNDIY-GLJXUZQSSA-N	648.557	8.015	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1Cc1cccc(F)c1	408872982	QFCBCWTWDYUANU-VXLYETTFSA-N	574.821	6.927	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccc(Br)cc1	408881669	LOSDFBLVQBTTFJ-FYJGNVAPSA-N	539.857	7.188	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Br)cc1	408881844	MTLRVYPNFYNGEV-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408885966	CBDKGULKKIJZDB-FYJGNVAPSA-N	616.477	5.929	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408891250	NLFCDVOARAWLIA-FDAWAROLSA-N	505.401	5.959	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3cccc4ccccc34)c2)c([N+](=O)[O-])c1	408894665	IPAKRXFXOXODDD-HYARGMPZSA-N	509.518	5.890	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(OC)c2)cc1	408897859	ZYBODTBGKNNGGU-KGENOOAVSA-N	535.394	5.759	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(I)c2)ccc1Br	408904593	LXKOFKYOEPDJQD-ZRGSRPPYSA-N	582.211	6.236	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c(OC)c1	408925527	UNEWNLGKXFLVPB-MOEPSENCSA-N	685.959	5.410	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408948732	DLCFLXIAUKKVAJ-IRWRTZFPSA-N	730.956	5.318	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)c(OC)c1	408949203	DZMIICKOJXEPID-CJPARAFHSA-N	760.557	5.137	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccc(N(CC)CC)cc2OCc2ccc(Cl)cc2Cl)c(OC)c1	408951819	JDYDLUYFPGTPNL-SFDGNUHUSA-N	712.631	6.147	50	40	KKGB	
CCc1cc(C)cc(OCCOc2c(Br)cc(/C=N/NC(=O)NC3CCCCC3)cc2OC)c1	408972049	OYCAHUAMAQLXRQ-OGLMXYFKSA-N	532.479	5.752	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Br)cc1	408985083	VAICMDZVEDLTFZ-NVMNQCDNSA-N	546.248	7.198	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1Cl	408986490	MGKYMEOVHRDXMK-LSCVHKIXSA-N	604.682	6.996	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)cc2)cc1	408997990	PMMDBSFWGCXFGQ-QNGOZBTKSA-N	508.359	5.978	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408999700	SBLLAUHAEGJXFM-GESPGMLMSA-N	655.985	8.177	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCC(=O)N1CCOCC1	409009667	BDSLENRYQCEKIJ-JBFMKSPFSA-N	628.729	6.212	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409015202	OGGQGQVAAMZPJS-NXHIWYDXSA-N	585.315	7.009	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)cc2)S(C)(=O)=O)cc1	409027182	BPKNZPUJBQELMI-VTNSRFBWSA-N	583.541	6.439	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12	409032549	CLUJBDIBHBHGJC-IHELAITMSA-N	613.677	8.699	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409033754	LNHFDLRTBXLPLP-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(O)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409040598	SXKNPUVJZULJPY-ZMFRSBBQSA-N	619.200	5.581	50	40	KKGB	
N#Cc1ccccc1COc1ccc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409042155	BPHRCKJHJUJYLX-ALQBTCKLSA-N	516.988	6.770	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(Cl)cc1	409047311	MEYHGFJTSZYGDD-GXBUFBABSA-N	536.031	7.297	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409070720	ZBJZEORHEBFMKU-XMHGGMMESA-N	505.983	5.785	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409087756	HOCLHCSDCMLAGS-CPNJWEJPSA-N	512.478	6.628	50	40	KKGB	
Cc1cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2)ccc1Br	409170739	XNKDKVZIJZSISW-KVSWJAHQSA-N	578.250	5.171	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1ccc(Cl)cc1	409196276	YJINAWZTRIKVBR-BRJLIKDPSA-N	508.718	5.427	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409222423	CWHCEHQYVJBEJC-WOJGMQOQSA-N	510.377	5.874	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409252049	ROGYGBXZESHATC-QDTIIGTASA-N	656.702	5.887	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409261531	CUBDBAXNEQVHCG-YDZHTSKRSA-N	609.464	5.548	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409263267	LYSYTWSURRWQMJ-CIAFOILYSA-N	503.986	5.837	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(C)cc1	409309408	GRJYAJMNZHUJFE-MBTHVWNTSA-N	527.415	5.516	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccccc1	409310399	UOKDLGCCEUALRL-FZPRHHONSA-N	548.998	6.418	50	40	KKGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)c(C)c3)=C2C#N)cc1	409311920	CXRSWYTUWFSTKI-QGZVFWFLSA-N	502.459	5.190	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)ccc1OCc1ccccc1	409319429	GAXGXIMMFKCANV-ZXSNDDASSA-N	516.597	6.770	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OCC	409319715	KTOKOVMEIDHMCY-UHBFCERESA-N	531.436	6.532	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1OC	409322935	YRXMTMQZWFESGL-MUXKCCDJSA-N	503.433	5.577	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OCC	409324436	SVMGOTLUTQCNQV-ZMGVVAQMSA-N	586.472	6.055	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OC	409330412	AFPJPOYJDWDZGW-MWLSYYOVSA-N	670.909	5.448	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	409368055	MFWHXRGVLIHSLL-RPPGKUMJSA-N	600.278	5.005	50	40	KKGB	
COc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1	409372484	YIYXZOTZEQEYCC-GIJQJNRQSA-N	546.748	6.505	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	409373249	PEZUJQYLWXDWSG-AMVVHIIESA-N	558.259	7.261	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccccc1OC	409376577	ZQRHMNJSKDJTFH-LDADJPATSA-N	584.854	6.073	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc2ccccc2c1	409387503	WVNCRCOQHCGFLR-WCMJOSRZSA-N	560.031	7.358	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl	409396278	XLQRRMBDXLYEDM-UHFFFAOYSA-N	705.314	8.915	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)[nH]c12	409396706	AHFSXCPCRCAULK-UHFFFAOYSA-N	543.963	6.082	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)c1	409397335	IURYPVJKOLIZKB-UHFFFAOYSA-N	507.521	5.966	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409407022	YNGMQHKSNPHXBN-FIBXFRIOSA-N	658.582	8.653	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3ccccc3)o2)cc1	409407410	ZQNKXTRHOYGCAY-APTWKGOFSA-N	564.598	6.517	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccc(Cl)cc1Cl	1529548408	FTZPSVGUZIRHRV-VOSMKULASA-N	736.472	6.229	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(OCC)c1	1529548624	KDASUUITTUBXPG-CCJFGTSDSA-N	778.669	6.307	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	1870697	AVSWQYUQSCTRAF-LRXXLLMYSA-N	559.713	7.282	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	1888149	NEADWSBCPRCFNL-YDYXIROLSA-N	508.430	6.367	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1cccc2ccccc12	2128747	PAYQQYTYOSNIFT-MHZLTWQESA-N	557.400	6.137	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3cccs3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3666904	KYIGLNRXPXYVGO-OAQYLSRUSA-N	507.681	5.806	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(F)cc1	9259334	JPPAUTCBHUZKNC-CCVNUDIWSA-N	511.347	6.076	50	40	KKGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc(OCc3cccc4ccccc34)cc2)[nH]n1	9375339	IUSDAYSJLVVOAZ-HNSNBQBZSA-N	512.569	6.432	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(-c2ccccc2)cc1	19861222	WGTKOSZKGJNZCB-ZXVVBBHZSA-N	504.706	6.438	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	20240677	FUOJYGBYAOICFW-XBQJKBNESA-N	511.669	7.212	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	97964229	SPSWAVWFDZDSAB-PCFYVVMJSA-N	553.062	5.906	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(Cl)cc2C)cc1	100122505	KZTXLXNMXCXYAD-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2ccccc2F)cc1	100123996	SPJZSCAIMHNIKB-KBVAKVRCSA-N	597.510	5.650	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1	100129128	SBUYDVIDXRGNQC-LJUMEUDFSA-N	613.965	5.851	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	100135444	PGJWOXHXVQGJJM-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc3)o2)cc1	100211282	GGFQYJPBYQBFAL-ZCTHSVRISA-N	559.644	5.086	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	100336465	YQVWNXUTJIZYTD-YVLHZVERSA-N	576.672	6.998	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	100340115	FASPSDUNQYXJRB-MUFRIFMGSA-N	539.963	5.103	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(Cl)cc2)cc1	100894269	OBQMMONYEOCTFS-JVWAILMASA-N	537.001	5.137	50	40	KKGB	
FC(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341990	LFZCPGNWKQNURF-REOHCLBHSA-N	792.030	9.658	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)c1cc(Br)ccc1O	150420686	AGVGNLGJXRZPPC-MVSQUAMGSA-N	661.339	6.428	50	40	KKGB	
CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)CCN2C(=O)/C(=C\C(C)=C\c3ccccc3)SC2=S)C1=O)=C\c1ccccc1	150452326	IDXMOOJKKMNWFE-BXFHNJCWSA-N	676.911	6.000	50	40	KKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	408537821	HKKSADIWYAYVHL-HWIUFGAZSA-N	561.151	8.710	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(C)cc3)cc2OCC)ccc1OCc1ccccc1	408540331	QECUWMQQIBQGHG-OJYCWLPVSA-N	617.540	7.477	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(Br)cc1	408547947	AYBPMDKQLZFMRM-FMCGGJTJSA-N	596.262	7.859	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551379	KNLNGKDWCKZSCN-RQZCQDPDSA-N	579.221	6.688	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408568023	ROLSUWRZBRUMMS-CHHVJCJISA-N	606.087	7.633	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1C	408568460	UVIGTUHFBOFOPX-XKJRVUDJSA-N	693.150	7.091	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408652106	OJOMYZZJJXWZES-RNLQGSBTSA-N	643.159	5.320	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1cccc(I)c1	408675758	ABMRJEDHFLJDPL-WGOQTCKBSA-N	512.395	5.063	50	40	KKGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OCC	408726398	SMZCMMWCVIRLCK-WQRHYEAKSA-N	504.368	5.641	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)cc(I)c3OCC(Br)(Br)C(Br)Br)[nH]c2c1	408729176	ABPUWMCBTOVRLD-XGICHPGQSA-N	884.768	8.126	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)c1	408746269	RHHNFFMEAVNBBP-MTJSOVHGSA-N	568.411	6.132	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747859	UUOGHKRYZKXZIX-LJUMEUDFSA-N	594.849	5.976	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc2c(c1)OCO2	408752381	DYZXEGZUZWBUQM-LSCVHKIXSA-N	555.812	6.355	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1	408760450	YVDIBRFBRWGTJG-RVDMUPIBSA-N	510.300	5.340	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408761517	FMIYUTKFQUQPLF-RPPGKUMJSA-N	522.182	5.748	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2ccc(C(C)C)cc2)cc1	408787922	AXYMBIPQFPIXJW-UXHLAJHPSA-N	515.635	5.323	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC	408792529	KOHSMJXFBSEWCK-VGOFMYFVSA-N	589.213	5.484	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1C	408792788	COQLIJKAMGKZAS-VXLYETTFSA-N	577.249	7.340	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408794204	IIDHURTXCQDLTN-VIZOYTHASA-N	662.536	8.139	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc2ccccc2c1	408794589	JTAOYWPYPRBXIT-AFUMVMLFSA-N	588.445	7.195	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(I)cc1	408795549	VRCWEMNRBLYPJS-LICLKQGHSA-N	605.226	5.893	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	408799087	YBNHUJMHWZHWGG-OEAKJJBVSA-N	728.324	7.350	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408801392	AMHNZWPFWFCRSG-RQZCQDPDSA-N	670.672	6.682	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccccc1F	408808394	GDYJYTSNURYNHG-SXGWCWSVSA-N	567.185	6.862	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(I)cc1	408816453	TXIFRPLWIXAYLR-QJOVZPHJSA-N	720.405	8.171	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccc(Br)cc1	408818763	QNRRWPJKBQSJOV-MTJSOVHGSA-N	647.307	6.263	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccccc1F	408819285	RDKZTFWMWIUBEX-SXGWCWSVSA-N	595.181	6.457	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(C(=O)O)cc1	408820286	WNDDHLHSHSCYHV-NVJOKUIPSA-N	649.235	5.850	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1cccc(C)c1	408826396	JGSMFDKQDOYBJK-MFKUBSTISA-N	573.476	8.014	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC	408832805	RLXKSXGMTZOTRX-KGENOOAVSA-N	565.851	6.638	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408835471	XOCZPSVIGJOQTP-CVKSISIWSA-N	598.055	7.659	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1	408838197	CRJUHQUQUXWBOY-MSEDBIDCSA-N	602.872	6.738	50	40	KKGB	
N#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408838394	FCPJGNFQCFMNRF-VVEOGCPPSA-N	556.862	7.180	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(I)cc1	408840385	BBGMDKSNJKJRJR-IZYHBKOJSA-N	723.036	8.862	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5ccc(Br)cc5)c(Br)c4)cc3)cs2)cc1	408840495	CCGVQNFOZRVTNY-QNVXDBMFSA-N	710.879	9.383	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5ccc(F)cc5)c(I)c4)cc3)cs2)cc1	408845948	PYVMWAAELFASNF-QNVXDBMFSA-N	788.424	8.553	50	40	KKGB	
N#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408846821	SHIPTVQFDGZVCM-AQHIEDMUSA-N	603.008	5.229	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccc(C)c(Cl)c2)cc1	408860497	WXPBFJKMSDSBLJ-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408860883	HFZDNMURIOGXJT-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	408888409	ZPOQUBPZAMXXAV-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OS(=O)(=O)c1ccccc1	408890001	MKEKTVASPOHRHT-AFUMVMLFSA-N	582.270	5.142	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408907888	PXLGRMDGLLANRQ-BKZXGXTDSA-N	574.475	5.989	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2Br)cc1	408925495	RQBWPIQJPRXPKJ-LDADJPATSA-N	588.867	5.683	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408940249	OJTJEQVRNBSCOJ-ZCTHSVRISA-N	570.111	5.401	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)c(OC)c1	408952108	JWZRFNIKQPREFH-FXOQEBJASA-N	651.116	5.046	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1C#N	408952505	OAAOIHOUEUEEJQ-FMCGGJTJSA-N	510.981	5.546	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c(OC)c1	408955816	PJMPBQFLCQDMRK-LGKFVODTSA-N	615.731	5.120	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]12	408957200	SSXVUQFKNBRYGL-BQWZHWPFSA-N	576.052	5.624	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1	408969668	RTABSFFXWBSEEU-FCMSKLJNSA-N	669.005	7.270	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)c2ccccc2)cc1	408978298	HWCPRYKKJMXJQL-WTAXBKJTSA-N	564.711	6.116	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2C)sc2c1CCCC2	408980724	SQTXOISSXIDLCB-TZDJODNLSA-N	596.753	6.223	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409001438	INTGIQLAWGRYFT-VTNSRFBWSA-N	562.409	6.237	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409001485	IRDBMJCKJIBVIQ-VIVICKJKSA-N	776.491	6.900	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1cccnc1	409014254	WTTWUPGPQWJNEW-KIBLKLHPSA-N	563.193	5.366	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1Br	409022739	RLNLPCHLTRALQQ-AQLQTECXSA-N	549.812	5.630	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	409026187	IJGLYVMUYXQAQM-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409032257	MDWUMWABEOCBSV-MBTHVWNTSA-N	600.254	6.432	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409038645	AKGSPYXJIDPHPP-VCHYOVAHSA-N	565.380	5.238	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1	409067782	PWRGDCLMLGTAKJ-SFQUDFHCSA-N	531.815	5.724	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409081113	JRUOWAIIUQNYLT-DEDYPNTBSA-N	514.494	5.887	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccccc1Cl	409144076	DNAYLRYEHSZBPX-JOCHJYFZSA-N	513.775	5.614	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(F)cc1	409163839	YOFILVHVSMSXHK-MUFRIFMGSA-N	542.405	5.435	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc(C)cc1	409183325	AYLRYGIAUWJRFA-IBBHUPRXSA-N	606.915	6.569	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	409186238	ZHAVRVNCRDZNNV-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409219469	MZQMFACDSHKMCA-LDADJPATSA-N	584.854	6.073	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409223023	FXYAYLJGNHUFPH-UHFFFAOYSA-N	690.175	7.754	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)c(I)c1)c1ccccc1	409241383	SFLVPNYZJWIDLI-CTPANLQCSA-N	526.349	5.794	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409248873	HOEYRDMKIQXPJR-XDHOZWIPSA-N	597.409	5.267	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409264468	LLOYOSLPJNTQIB-MUXKCCDJSA-N	569.412	5.154	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OCC	409332692	HSLBHOKAAYFGDC-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OCC	409336728	UIDDUUYPGSTNBW-CAQPMQTCSA-N	659.521	5.967	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(I)cc1	409367607	FZKZDFFNANICKD-ZDLGFXPLSA-N	689.072	7.144	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	409373686	SOIXKJPTALCZAF-WKULSOCRSA-N	580.378	5.494	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)Sc1nc2ccccc2s1	409383879	NCSAZSLFPPZLJK-LICLKQGHSA-N	652.320	7.741	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1cccc(F)c1	409387922	YMIBRFCZUSFQIP-XODNFHPESA-N	527.961	6.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409392070	NRXRYLOMXSHFID-FJEPWZHXSA-N	610.408	5.502	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)c1	409394431	AHVRMPBFUIGWBR-UHFFFAOYSA-N	649.314	7.791	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409394443	ALQLSSCEFRMSBI-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)cc1	409394986	ILIRQGARHMSBIL-UHFFFAOYSA-N	599.428	6.731	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)[nH]c12	409395542	OWWWJOSWVIRNDX-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409399239	YQFHEJIYULGFPT-UHFFFAOYSA-N	551.574	6.364	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)o2)cc1	409400132	BOQUSQZRQNMAJO-DLCNMLRHSA-N	644.040	7.079	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccccc1C#N	409400996	FWRALDWUDODGRU-PQKVGRGHSA-N	614.702	7.218	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(N)=O)c(Br)c3)o2)cc1	409402788	LABOPSZOCHPJER-AAPHRLRXSA-N	644.320	5.419	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(C(=O)O)cc3)o2)cc1	409403410	MQENIWBOICEXRI-QMRORBIVSA-N	643.052	6.869	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3cccc([N+](=O)[O-])c3)o2)cc1	409404301	PSEUXLJHJCYXCI-QMRORBIVSA-N	677.939	7.933	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1O[C@H](C)C(=O)OC	409405678	UMTWYRZVTLMNGU-CPJHJSKFSA-N	638.515	6.132	50	40	KKGB	
C#CCOc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	409406117	WAVPOANNSPFKEZ-UHFFFAOYSA-N	531.996	5.704	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1	1667948	VOSLVQQLSFMNOP-KBVAKVRCSA-N	528.936	8.474	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c[nH]c4ccccc34)n2-c2cccc(C(F)(F)F)c2)cc1	2754321	SSKPZKWHELDKOT-VWJSQJICSA-N	550.566	5.685	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	12250871	VLAYWDINCHEJGG-MHZLTWQESA-N	512.610	5.841	50	40	KKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1	12273782	NXVJIBDAJQLPPG-IYQUHZLLSA-N	516.066	6.748	50	40	KKGB	
N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@H]1c1c(F)cccc1Cl	12428376	ADIZIXNFWRZOJB-LJQANCHMSA-N	506.006	5.303	50	40	KKGB	
CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1	36636082	HKIPKXKFNNXLHO-ZHZULCJRSA-N	510.457	6.611	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)cc1	58914968	CBHITVQHUDSGLO-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)CCCCC)CC[C@]4(C)[C@H]3CC[C@]12C	70698290	UYCWFCMOPJKMKJ-VDDCNPIRSA-N	533.281	10.416	50	40	KKGB	biogenic
CCOC(=O)C1=C(c2ccccc2)NC(SCSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)OCC)=C(c3ccccc3)N2)=C(C#N)[C@@H]1c1ccccc1Cl	98045719	KFTZEBZDTAILEQ-PXLJZGITSA-N	805.809	9.910	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	100082369	HRFXLOVAKBLPKP-FJEPWZHXSA-N	537.991	5.828	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3[nH]nc(C)c3-c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC	100128566	ILDPNGZSBGCWML-AREMUKBSSA-N	544.055	5.997	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	100343568	OZHCKJSESBRYKO-CAQPMQTCSA-N	611.120	5.119	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccncc1	100434508	FEPQUYCDGNQFNY-RGXNXFOYSA-N	530.613	5.914	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C\c3cc(Br)c(O)c(OC)c3)nnc2-c2ccc(Cl)cc2)cc1	100852023	AKXLINOSTJTSFO-NUJZUDFISA-N	616.925	5.706	50	40	KKGB	
N#C/C(=C/Nc1ccc(Sc2ncc(C(F)(F)F)cc2Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	100946538	VEQZZORUHDQAIJ-PDGQHHTCSA-N	530.380	6.809	50	40	KKGB	
CCOC(=O)C(CC12C[C@H]3C[C@H](CC1(C)C3)C2)(CC12C[C@@H]3C[C@H](CC1(CBr)C3)C2)C(=O)OCC	101219416	ZCNRWLAUYHYCSK-BEBCBBKISA-N	535.563	6.687	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	102808178	WQCLKHOAMGTOLQ-DEOSSOPVSA-N	607.441	7.312	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2Cl)N1	102810087	MRTCYIIWORONSZ-AREMUKBSSA-N	533.028	6.186	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc2ccccc12	102933451	NQAQFUUEFJYLEQ-CPNJWEJPSA-N	572.371	6.284	50	40	KKGB	
COc1ccc(Nc2nnc(SCC(=O)NNC(=O)c3c(NC(=O)c4cccs4)sc4c3CCCC4)s2)cc1	102935856	OIIYITLDNYMTSE-UHFFFAOYSA-N	600.773	5.098	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(C)cc1	103890051	YISNXFKKDLHCPU-ZDLGFXPLSA-N	546.248	7.198	50	40	KKGB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NNC(=O)C(c2ccccc2)c2ccccc2)cc1	103921928	KSTQHAWOAGZFHX-HFTWOUSFSA-N	534.591	5.312	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1Br	150353441	FRJZJRNFLDKWBG-HPILPKMVSA-N	697.221	7.650	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C\c2cc3c(cc2Br)OCO3)cc1	150386541	OZCOMLIMBHRGES-ZMGVVAQMSA-N	640.943	6.299	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccccc1Cl	150425554	YYROWMKPXQXKRR-VCHYOVAHSA-N	629.907	6.890	50	40	KKGB	
ClP1(N2CCCCC2)=NP(Cl)(N2CCCCC2)=NP(Cl)(N2CCCCC2)=NP(Cl)(N2CCCCC2)=N1	150482902	UORVZEFMWVQVNO-UHFFFAOYSA-N	658.304	10.684	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(Br)cc2/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	207189530	WZMXPBSDJFCKAJ-ZRGSRPPYSA-N	538.310	5.145	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408567614	FVPMHZHCMPRMHY-CCVNUDIWSA-N	574.080	5.844	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408570165	SHUCFTASNDPNLA-ZDLGFXPLSA-N	596.400	6.095	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OCC)c1OCc1cccc2ccccc12	408570538	WMMFIRGZLRDOPX-XYGWBWBKSA-N	503.577	7.626	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCc3c(Cl)cccc3Cl)CC2=O)cc1	408606885	MNFUECBZTKIYHV-GOSISDBHSA-N	528.436	5.640	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408639549	FXTXBBGTHLRCNZ-FXJWEYNDSA-N	631.148	5.544	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCc4ccc(Br)cc4)cc3)nn2-c2ccccc2)cc1	408725325	OAAVIZMFJAFFJC-FMFFXOCNSA-N	565.471	6.953	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cccc(Br)c1	408731950	NPQFRDZLMQNCDO-QXPFVDMISA-N	520.430	7.338	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)ccc1I	408747786	SYBOUOPOBMYXQF-RPPGKUMJSA-N	738.101	5.852	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(Br)c1OCc1cccc2ccccc12	408751599	AHZPWPYYUBQUSL-BKUYFWCQSA-N	639.287	7.340	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(OC)c2)cc1	408775381	GXHLUGFDBQOKPU-STZFKDTASA-N	538.385	5.987	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)c1C	408784580	VDMZJKWTTOZVMT-MTJSOVHGSA-N	552.368	5.731	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408792176	JBPWZNBTGIXQIH-WOJGMQOQSA-N	590.699	7.388	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408792348	AWLPBTQMKUYGHO-VCHYOVAHSA-N	603.800	6.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(C)c(C)c1	408797178	BOGJXZKEHQRCFT-ZMOGYAJESA-N	533.466	7.206	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCC(=O)O	408798183	VCRADTYDQYFASS-YBFXNURJSA-N	537.366	5.046	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc2ccccc12	408799024	XTKDGUCRPFLUCG-LPYMAVHISA-N	527.964	6.925	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1	408803239	MUPLWATWGDBFAO-HAVVHWLPSA-N	510.977	6.795	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1cccc(F)c1	408806588	AHZFFAWGRMUAAH-MYYYXRDXSA-N	500.570	5.764	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2ccc(Cl)c(Cl)c2)c1	408812865	PSZIILHBPBPAPB-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccc(I)c(O)c2)c1Cl	408815272	QVDFORLGLNBDAW-KIBLKLHPSA-N	588.185	5.581	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408837919	AQWBRHKVLWITBO-AABVJFSESA-N	682.946	8.294	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838238	CXTJZIBJDONYGY-VTNSRFBWSA-N	584.057	7.458	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408846175	QXYLMAURYNBZLP-JBZNKQRISA-N	695.204	10.004	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408849107	USOYQVQUBVBPTA-WBIBEUCMSA-N	724.824	8.816	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(Br)cc1	408852456	LBANAIFWZZXNOD-MNDYBZJGSA-N	598.291	7.038	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2cc(C)ccc2C)cc1	408864671	ZBSQYCZNNPXNJV-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c1	408874388	AWIPMIUGNJONCV-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c2cc(Cl)ccc2OC)cc1OC	408885434	ZWKUUXYPHYRSNP-KULFSUQXSA-N	767.482	6.715	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)cc1	408887271	NIBXXECXPATFQG-XDHOZWIPSA-N	505.914	5.720	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408892996	DOLXNAYEBISIMB-HMMYKYKNSA-N	501.355	6.866	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1	408896518	ROVAFPPETSQJRM-XSFVSMFZSA-N	525.424	5.633	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccc(Cl)cc1	408899095	ZAJLMEQNTUKMTH-RQZCQDPDSA-N	669.595	8.069	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922925	HOWRHFFCPNHGIY-GZTJUZNOSA-N	651.866	5.225	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccc(F)cc1	408926606	XDNVWUJKZWSIQI-VXLYETTFSA-N	554.372	6.328	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1	408954418	ZFGZDDUFECXUGV-GDLZYMKVSA-N	682.155	5.111	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408988399	DIMQGMRPMWNFQF-LSCVHKIXSA-N	698.682	6.681	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1C#N	408991866	RHBSTQXQKYFMJX-QRVIBDJDSA-N	546.852	7.136	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2I)c(C)n1-c1sc2c(c1C#N)CCCC2	409002673	WCBDLJBPEJLQNZ-UVHMKAGCSA-N	558.445	5.040	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1	409004912	GAQGQRLVWYRRAV-VMWSCHNCSA-N	569.411	6.051	50	40	KKGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)ccc1Cl	409038347	OKTLYEAWTIMRCH-KBVAKVRCSA-N	509.949	6.366	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409046486	KWICLYNMUKPCDV-VZUCSPMQSA-N	504.100	5.785	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1	409057504	GTUZOAUQMZHFAE-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409084084	PCNPZXQGGCCXEW-VGOFMYFVSA-N	573.743	6.265	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccccc1Cl	409097167	FYGJIEUXNBUSDJ-QHCPKHFHSA-N	541.785	5.637	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)cc2)cc1	409111488	CZJYMKMTVCFQNX-UXHLAJHPSA-N	579.520	5.754	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C2=C1CCCC2=O	409130959	OOSOODQLZRDYEZ-QFIPXVFZSA-N	533.253	6.065	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C2=C1CCCC2=O	409135599	RKVRFQIIJWOHOE-OAQYLSRUSA-N	612.149	6.827	50	40	KKGB	
Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(I)c1)C(C#N)=C(N)O2	409141709	WLOUWBQGBHJYRA-IBGZPJMESA-N	553.187	5.427	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccc(Cl)cc1Cl	409144924	LSSOGCUEKOZQHQ-YPXUMCKCSA-N	650.094	6.418	50	40	KKGB	
CC(C)C[C@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2cccc(C(=O)OC(C)C)c2)o1	409163026	KVPMJHMTWGTRMT-UKKBHZCMSA-N	616.542	6.659	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1	409175107	QAEPIBFLTWJOTE-MPRHAZATSA-N	709.246	5.732	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)cc2c1	409189089	IFXBAZAPEOQUJY-NUJZUDFISA-N	588.373	5.927	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccco1	409218587	GLBPNBMCKOIEIK-UHFFFAOYSA-N	531.952	5.567	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409235074	AVFUXAQBALZDEV-BRLDDBHUSA-N	507.949	5.290	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(I)cc2)c(I)c1	409235407	PKODKNFWZDJIGR-ZMFRSBBQSA-N	614.196	5.307	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(F)cc1	409241258	SLSVNCBTJCEFOF-HMAPJEAMSA-N	523.402	5.832	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409249975	KNXWSTNBTLBIFO-FPJJECCMSA-N	586.857	6.707	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)c1	409257488	RRRWGUZHIPTMOE-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)cc1	409264359	FARLQQLZWYNFFE-ODLFYWEKSA-N	613.306	6.400	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl	409264659	QVDJZUKMIRYHIM-MFOYZWKCSA-N	514.796	6.518	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)c1	409272508	ZHRRIVSCFDEVEP-WKIKZPBSSA-N	575.257	5.310	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409300967	BMSWHEIFRKNHMN-MBTHVWNTSA-N	664.409	5.860	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)ccc1OC	409314492	RODONGMMBCLRLV-MBTHVWNTSA-N	527.961	5.397	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2OCc2ccccc2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409367930	OJHSBPWDLLIDAB-AEUUOICLSA-N	624.590	6.839	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1Cl	409371179	CKWHSCBWGUSMLI-IDUWFGFVSA-N	581.193	7.158	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1	409372581	LZCAWICLBAKWBY-MXAYSNPKSA-N	549.752	5.125	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1C	409373191	OHWMTISYPLMYPO-ALQBTCKLSA-N	538.047	7.252	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1	409373256	PJPXZOKBTUXYLW-YSMPRRRNSA-N	512.360	5.028	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409373604	RDVIWLPGKDHGIO-ZRGSRPPYSA-N	581.648	6.045	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409374528	RWBJQTLZGPBSQE-ODLFYWEKSA-N	531.410	6.033	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	409381046	DGGDWSOHUQGPMV-AEUUOICLSA-N	670.589	7.415	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409384218	CHDFSUCMSXSBST-LSCVHKIXSA-N	504.801	6.330	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccco1	409395158	KLXUEWWEVMQKPV-UHFFFAOYSA-N	578.422	7.327	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396427	QAKGUNSHUWEHEP-UHFFFAOYSA-N	636.919	8.186	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409396878	CJELMOLVPYGLQQ-UHFFFAOYSA-N	593.636	6.161	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409397585	LNCVJNGOAFQEHA-UHFFFAOYSA-N	598.055	6.887	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409402059	VCCIGWRSVBNZFL-VHFSBPNMSA-N	628.081	6.969	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409406854	XRKRNGIGQFIIIG-AEVGBRMKSA-N	734.445	7.881	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccccc1Cl	1529548426	GBXIVNGOMRLQPO-GHUOZWDFSA-N	633.170	5.533	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccccc1	1529548897	PHSMJKQBLNLWFW-PUUODXJESA-N	716.452	5.676	50	40	KKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1cc2c(cc1Br)OCO2	718461	XPQOMELYOAUPAG-MRXNPFEDSA-N	506.143	5.093	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	1769430	XANSEXQENLKLAK-XSFVSMFZSA-N	527.558	6.614	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	1825962	XXLNLLKZOUJPSZ-BHGWPJFGSA-N	530.056	5.788	50	40	KKGB	
Cc1cccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OCc2ccccc2Cl)c1	2178018	HWUNROUATRIYFL-AREMUKBSSA-N	561.867	6.702	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1	3102327	FJUCICWWBNYPOF-RPPGKUMJSA-N	522.182	5.504	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)n1-c1ccccc1	8396434	PNBIOBMWKLHOQV-QHCPKHFHSA-N	690.067	7.814	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12	8396644	LXLQDYXTQSLHLI-ZSNJKBEMSA-N	649.574	7.066	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1	8426894	PRMWPOHWRRRITB-ZBXWGFIZSA-N	503.312	5.018	50	40	KKGB	
CCCCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)C(C)(C)C)c3)c3ccccc3n2)c1	8454710	RGDPOJDURVPVNC-HPNXWYHWSA-N	536.676	7.219	50	40	KKGB	
COc1ccc(CN2CCCN(Cc3ccc(OC)c(OC)c3)C2c2ccc(N(CCCl)CCCl)cc2C)cc1OC	19325257	LWUABZCBMQSTCU-UHFFFAOYSA-N	616.630	6.720	50	40	KKGB	
O=c1c2c3c(sc2[n+]2c(n1-c1ccccc1)SC[C@@H](Br)[C@@H]2c1ccccc1)CCCC3	54362770	JPUSDFVRBWLVJH-KNQAVFIVSA-N	510.502	5.677	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(C)cc2)cc1	59884284	BLYMIIZSEAQNAB-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(OC)c(COc2cccc3cccnc23)c1	97965795	FIUKGEUYZAGTHW-FYJGNVAPSA-N	541.629	6.340	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1ccccc1OCOc1ccccc1P(=O)(c1ccccc1)c1ccccc1	98002710	SYDIDZQRHJHLRR-UHFFFAOYSA-N	600.591	6.381	50	40	KKGB	
N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1cc(Cn2cnc3ccccc32)cs1	98008125	IOPJLZWHNLMTNE-AREMUKBSSA-N	522.590	5.359	50	40	KKGB	
COc1cc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)ccc1OCc1ccccc1	98048432	XCWWCIXJWCHJRY-HSZRJFAPSA-N	562.489	6.256	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C#N)[C@@H]1c1ccco1	98048594	OOVISWBMYAZVGF-AREMUKBSSA-N	615.077	7.529	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1ccc(Br)cc1	100038205	NOXUJOOYIZEUKZ-KBVAKVRCSA-N	610.302	6.676	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	100227698	QPFZGZDBFKEEDU-NDENLUEZSA-N	526.330	6.241	50	40	KKGB	
CCOC(=O)C(CC12C[C@@H]3C[C@H](CC1(C)C3)C2)(CC12C[C@@H]3C[C@H](CC1(CBr)C3)C2)C(=O)OCC	101219413	ZCNRWLAUYHYCSK-FVMJDWSPSA-N	535.563	6.687	50	40	KKGB	
CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528120	QXPNCZZAWFIOCO-VIFPVBQESA-N	572.187	8.279	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccc(Cl)cc1Cl	103844950	NXOBBJONILDQDN-MYYYXRDXSA-N	574.508	7.447	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103901856	UZMSHMHXIGSBEY-XKJRVUDJSA-N	582.347	7.035	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1cccc(I)c1	104580866	DAQBQWIIPTUCJS-BRJLIKDPSA-N	539.156	5.581	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4cccc(Cl)c4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699039	YMFNPEPZGQSVPV-RGMHEACTSA-N	560.119	6.727	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CCCl)sc2c1[C@]1(C)CC[C@H]3c4ccc(OC)cc4CC[C@H]3[C@@H]1C2	108236036	LYQYBPJEQKARMN-GNKDASKISA-N	502.076	6.071	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	109355118	QSSPISQPEKWEKL-GATIEOLUSA-N	567.621	6.116	50	40	KKGB	
CCCCC[C@@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)CCCCCCCC(=O)c1ccc2ccccc2c1O	150365598	OMRVMXGALBOWHY-POTDNYQPSA-N	726.226	10.483	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	150385255	SGSWSVBHSAFUNF-FADJLKOXSA-N	641.591	7.016	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2OC)ccc1OCc1ccccc1	408537166	CIOTTXMZGBTORJ-MFKUBSTISA-N	587.047	7.590	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	408539663	JEDSPYVLWWHCAQ-VHFSBPNMSA-N	627.457	7.789	50	40	KKGB	
CCOc1c(I)cc(I)cc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1	408543255	NRGCEXKUQZAESN-VGOFMYFVSA-N	569.184	5.852	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc(OCC)c1OCc1ccccc1Cl	408546646	LBOPSWOQIZQFBD-OYKKKHCWSA-N	589.113	7.183	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550620	FTJPIKHGKMLVHY-ULTCEKQJSA-N	588.797	6.846	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408567979	HITPHLRVCLSVCM-FJEPWZHXSA-N	630.586	5.791	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)Sc1nc2ccccc2[nH]1	408599281	RTIDEKSULSYHSR-RQZCQDPDSA-N	586.265	7.232	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408608264	OVSOTHCCFUJZQX-QGZVFWFLSA-N	548.854	6.121	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	408609664	KYASCHMAELUUPG-RWPZCVJISA-N	500.382	5.450	50	40	KKGB	
O=C(NNc1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408610432	UHHZHWDGSQPJRA-HNNXBMFYSA-N	504.801	5.722	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccccc2)cc1	408640631	BBXQLNWBIFAXMM-PTGATOOUSA-N	714.794	5.577	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408725598	LCCWOLWYNHIHBU-MFOYZWKCSA-N	580.693	7.933	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)c2-c2ccccc2)cc1	408740402	BQOSNJOMCWMMFI-JEPNHJGPSA-N	659.378	8.205	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c1	408746880	XEQYWPGLDWVENT-NVMNQCDNSA-N	512.349	6.425	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1C	408788170	IUYTXZWEISGHBL-DJKKODMXSA-N	585.252	6.861	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccccc1F	408791422	XKONLCBNZYLFQO-UDWIEESQSA-N	509.375	6.420	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408795313	LMEVDGUKFLMCQY-QGMBQPNBSA-N	594.720	8.241	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c1C	408796219	XLISBEPLSORIPL-RGVLZGJSSA-N	553.356	5.941	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(C)c1	408797871	UDDVAAZCSYMULB-VXLYETTFSA-N	522.355	5.799	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(F)cc1	408797894	UGNIMHBMLVVNJH-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408803483	PPDNNKIHVXLLOA-QXGPWOGGSA-N	503.440	6.783	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408816683	UKPBNHREEVKLJZ-DBSPGSINSA-N	652.545	7.655	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1cccc2ccccc12	408824605	ILQHRDMDQFQJPA-WPWMEQJKSA-N	745.411	8.919	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408830007	QTJHJODKIIQMLH-KULFSUQXSA-N	719.485	7.690	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839457	SODYBQQKUXVWMK-QQMJPZKZSA-N	676.840	10.164	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(Br)cc1OCc1ccccc1Cl	408844670	DXTWPODWAPPWCW-KKMKTNMSSA-N	629.676	6.154	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408845138	OVZPZNKEXJZUDP-KULFSUQXSA-N	652.003	9.256	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5C#N)c(I)c4)cc3)cs2)cc1	408848281	VNYQWJSNVICJEP-MWBNBJEGSA-N	669.548	7.681	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc2c(c1)OCO2)C(=O)NCCc1c[nH]c2ccccc12	408849501	WFMKXNNCLAJBOW-MTJSOVHGSA-N	544.405	5.504	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408852380	SYYARBWIXGGSGL-AQLQTECXSA-N	588.285	7.582	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1C#N	408855859	FYTWMQKERAAYKR-FDVSRXAVSA-N	518.367	5.809	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408860460	WCEMTVTXEBNKRL-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408861906	VLXSBMSPMJYXCU-QXUDOOCXSA-N	638.142	5.681	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OCc1ccc(Cl)cc1	408879103	FMJDYZDJNHBFAM-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1Cc1ccccc1Br	408880176	GIUBQBIIIKZTIA-WOJGMQOQSA-N	605.245	6.728	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OC(=O)c1ccccc1	408886701	IISZCMPAPYWLMG-GZTJUZNOSA-N	603.210	5.827	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccc(Cl)cc1Cl	408891772	VECCKLDLJKRLOG-GIJQJNRQSA-N	512.349	6.343	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408901068	ZVMRYUCUBAVRHM-VZUCSPMQSA-N	529.572	5.718	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(Br)cc1	408903851	AIQRKBIVCHKOSC-VYYCAZPPSA-N	561.274	6.653	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408923357	IBRMDHUDYLWTBC-CXUHLZMHSA-N	639.311	6.036	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)c(OC)c1	408923708	KPJUMRVTYSQSSM-OQMZEJBMSA-N	730.012	5.809	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(F)cc1	408926453	YBNBUWSQSNRERV-KVSWJAHQSA-N	540.216	6.637	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccccc1	408933594	BLUYOJARSYWSKS-QHDYCIAZSA-N	558.638	6.243	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(OC)c1	408946320	MFQRWKAXPGXMBH-MUUNZHRXSA-N	749.027	5.417	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408949252	FEFOHTSYKWBVFI-ZTCVVROCSA-N	693.161	6.514	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408973009	XEHGGIHEXFWLPL-IJRAPWFDSA-N	703.848	7.633	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1C#N	408973149	ZFZBUYJEUHKHEY-GXUAFRLYSA-N	737.422	6.506	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccc(Cl)cc5)cc4s3)c([N+](=O)[O-])c2)cc1C	408992113	QMEZEUZOCUNCPR-HYARGMPZSA-N	640.146	8.424	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCC(=O)Nc1ccc(C)cc1	409008367	WOPWANCVPNQLMI-FZKWRIDDSA-N	562.626	5.030	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1cccc(Cl)c1	409012300	QFRPBGAKUSYWAY-JFLMPSFJSA-N	524.857	5.031	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(Br)c(Cl)c1	409013265	UAQAFWMNKLNPDJ-YPXUMCKCSA-N	675.546	7.387	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1cccc2ccccc12	409046334	JZAAOCJEWCOXCE-HASSKWOGSA-N	710.597	8.663	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1	409123877	FIUUFNFQCSACQN-MHZLTWQESA-N	536.072	5.700	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c1	409142823	GECRMYCGWBXNRG-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1C	409152984	GXABVLIOGRQTON-ROPCREHHSA-N	629.939	5.327	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OCC)c2)cc1	409154357	GXZLEVCMZZKUDV-VTNSRFBWSA-N	625.520	5.360	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)o1	409156530	OQDNPURFCGXHKV-YIMMMDCSSA-N	589.476	6.310	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409209886	GPKWEAWVWXKRQG-LUOAPIJWSA-N	741.614	7.133	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409222731	DVEAMNKZPMUQFV-XDHOZWIPSA-N	615.855	6.215	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1I	409228065	SXWLLXXOAOIHHJ-QPEQYQDCSA-N	624.138	6.025	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)NCCCc1ccccc1	409248220	GWLDNYHGRVRALO-QQXSKIMKSA-N	515.440	7.382	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409252118	SRKNNUTZPRJJQP-YDZHTSKRSA-N	576.491	6.645	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(Br)c2)c1	409253972	CKYUYBVZVYWPMC-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)c1	409254265	IDTNOZIRWZSQMG-ZMFRSBBQSA-N	561.230	5.002	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)cc1Cl	409254775	FWFNSMJNSOIDOT-FXMZOFOKSA-N	614.121	6.608	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409256046	NPBRFTTVXAOQQP-AEUUOICLSA-N	622.505	6.761	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409269733	MFEOQOQRMSYPBJ-JAIQZWGSSA-N	629.882	6.523	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc(C(=O)O)cc1	409311885	CHUABTJIOMYQKB-CAQPMQTCSA-N	540.572	5.324	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409319073	ZSQUGOIETGTSMP-AEUUOICLSA-N	713.956	6.712	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)ccc1OCc1ccccc1	409323064	MMGSAHFGDKAHBC-MNBJERMJSA-N	500.982	6.271	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1OC	409327674	VYQZPHXIAOULMH-FDVSRXAVSA-N	515.444	5.743	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409363122	JQLMVRHMTQNTNI-YBEGLDIGSA-N	514.340	5.704	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409365686	RMNNSTUFDYAHIQ-VYYCAZPPSA-N	526.387	5.255	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1Br	409367840	HZHOIWHCEVWFLL-LGJNPRDNSA-N	513.189	5.426	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=C(/C#N)c2ccc(C#N)cc2)cc1I	409367941	OSRKSJNPCPKUHI-APSNUPSMSA-N	540.142	5.619	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409368194	OZZOMQGACYQWSA-ZDLGFXPLSA-N	638.199	6.456	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409369010	WYZYNVSYKJHUMY-KVSWJAHQSA-N	612.251	5.908	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409371614	XMUGMEQQZQZMEC-IUXPMGMMSA-N	662.092	7.854	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409394850	GRIBSNRMAFMWIA-UHFFFAOYSA-N	829.554	10.074	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409395678	QODGDXYQWSDAAX-UHFFFAOYSA-N	596.437	6.618	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)c1	409396213	XCOVJHHIIZKOTC-UHFFFAOYSA-N	593.437	6.461	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397187	HFPNMVBBJLELIN-UHFFFAOYSA-N	628.081	6.814	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)Nc1cccc(F)c1	409400514	DNSSYLXPFZWTCT-CVUIAOGPSA-N	782.461	8.110	50	40	KKGB	
Cc1ccc(COc2ccc(-n3c(C)cc(/C=N\NC(=O)c4ccc(COc5ccc(-n6c(C)ccc6C)cc5)o4)c3C)cc2)cc1	409407392	ZOUCBSLQJVGBSA-LMOHNTGSSA-N	626.757	8.325	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)Nc1cccc(F)c1	409407407	ZPRLKDUKBFZAMS-AEVGBRMKSA-N	689.538	6.958	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	1529548636	KMJPQXKQPVFHCX-GOAUDOFWSA-N	751.443	6.128	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1cccc2ccccc12	1825901	IWEOJXIYKNVURS-STBIYBPSSA-N	542.462	6.092	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C\c3ccc(OCc4ccccc4)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)cc1	2594721	FDEIFTLCDWDBER-ZCBBPJEWSA-N	594.696	5.019	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	2670133	JFJHKYCGQRSQMA-KOEQRZSOSA-N	522.626	7.025	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1)c1ccc(-c2ccccc2)cc1	8449599	COFYODXRFUTJEH-KEQUZKIMSA-N	637.324	5.676	50	40	KKGB	
C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1	8917316	XMSJDFZXNVSHJD-DEOSSOPVSA-N	503.352	5.451	50	40	KKGB	
Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nc3ccccc32)cc1	13662024	KXSYCLRZQAYEJN-BIZUNTBRSA-N	520.658	6.214	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(F)cc1	16185140	ZAYFJNKTRXPBCF-WOJGMQOQSA-N	518.894	7.021	50	40	KKGB	
CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O	16741535	HEUNEABXWFMPCN-RIRGPFDCSA-N	520.633	5.954	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c(C)c1	20243696	KESWWIPEYWMJMI-RPPGKUMJSA-N	504.881	6.369	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	20348680	UDGFPAYBONAUQJ-MUUNZHRXSA-N	526.637	6.149	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C#N)cc3)c(OCC)c2)cc1	20764922	TZPOUEZZNDQRJY-MUFRIFMGSA-N	522.399	5.461	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1C	28217218	MQWRMRBAGATHBL-FADJLKOXSA-N	533.720	5.793	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cccc2ccccc12	30738257	UQEWULBMXGMRAL-RHANQZHGSA-N	517.379	5.984	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1	33399893	OVNHWCSLTCKMTI-RPPGKUMJSA-N	500.363	6.459	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	59224842	UFQTXFCUTJVQFF-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cccc(Cl)c2)cc1	59856470	JUSPTPUTYNFVSO-NDZAJKAJSA-N	534.037	5.508	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)NCCc1c[nH]c2ccccc12	97960739	OURMINFUNSPSKA-LFIBNONCSA-N	526.843	6.594	50	40	KKGB	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3ccc(COc4ccc([N+](=O)[O-])cc4)o3)C3=C2CCCC3=O)s1	98007266	XPNWOLJREPTWBF-QFIPXVFZSA-N	564.649	5.424	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(Br)cc1	100120483	CZPHJVYDMYIJFJ-KEIPNQJHSA-N	584.562	5.938	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1OC	100306096	RTXRQSQUOFSIAU-BIZUNTBRSA-N	578.090	5.825	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1OCc1cccc2ccccc12	100313498	OKGRYQACSXMLJQ-FYJGNVAPSA-N	547.489	6.900	50	40	KKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3cc(Br)cc(Br)c3OCc3ccccc3F)nc2c1	103786224	UYIXMZZJYDBCRL-RQZCQDPDSA-N	541.218	7.179	50	40	KKGB	
CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341340	KXNZHYYOSMZKIM-MRVPVSSYSA-N	858.202	11.701	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1	164060169	QWUNEZUOTHSEGU-XZYGTATASA-N	632.069	6.000	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c(C)c1	216040675	LERUUEDSWBUHHU-QDTIIGTASA-N	609.156	6.863	50	40	KKGB	
COc1cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1	408538430	MTIUOPYYWOCOII-TURZUDJPSA-N	518.613	7.016	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1ccc2ccccc2c1	408547987	BJXPDNTXHHEPHQ-JJFYIABZSA-N	739.132	8.297	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408611633	RIDLHESGCXTAKK-CCVNUDIWSA-N	500.382	5.232	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408642432	DVJVZVCUSXXATP-JCKQNYJESA-N	818.129	7.537	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408643578	GFXHWNAXMQYAGA-ZTTYKKJNSA-N	804.242	5.595	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408659477	VWJVZWWJYRVSHC-SAIKNWJPSA-N	659.158	5.020	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1	408725158	JOSQQHYNLYCUDT-NDENLUEZSA-N	524.358	5.733	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC(=O)c1sc2ccccc2c1Cl	408733204	GEVPBEBZHJHNHE-RWPZCVJISA-N	508.983	5.945	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Br)cc1	408735902	ZCGZWVAYDFZFGE-XDHOZWIPSA-N	511.803	6.544	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2-c2ccccc2)cc1	408741700	KRCYCAXFCFQSON-NHFJDJAPSA-N	544.054	8.409	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1Br	408742713	BUTUDCUTXSFWJX-GDNBJRDFSA-N	504.178	5.168	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F	408744574	GBQHHXSNXYMUEP-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408744909	IBVTXXVQWQBFTE-XKZIYDEJSA-N	547.836	7.389	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)cc1	408744910	NZODWWXLLRSGTA-BKUYFWCQSA-N	521.411	6.290	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1I	408745903	AUHKNKRVPUGURF-OPEKNORGSA-N	542.204	5.778	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc(F)c2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408750690	QKURWJBWHXHVJS-MNBJERMJSA-N	580.397	5.396	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)C(C)C)cc1	408756048	SZEXDKKHBQAFBC-HQYUJTHISA-N	701.459	5.049	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408760226	UTJSDECMWQNTSS-GDNBJRDFSA-N	548.360	5.224	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Br)c1	408761616	HFPCEUQDDMHYQY-LSCVHKIXSA-N	663.107	6.813	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccc(C)cc2)cc1	408773210	UBQRHILJIAPSJJ-VULFUBBASA-N	522.479	5.369	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408776165	MVSXPRMXMVZWCK-UHFFFAOYSA-N	501.958	5.299	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1cccc(F)c1	408790380	VWIXIIIAXNGKDS-FYJGNVAPSA-N	523.402	6.674	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)c1C	408791698	BBYXYCRUJZGPGX-CIAFOILYSA-N	505.368	5.889	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1C	408792644	BPXWHDVVBQINPS-UFFVCSGVSA-N	565.265	6.825	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccccc1Cl	408798252	VJCPZQBKPUMWCI-CXUHLZMHSA-N	658.636	6.813	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)cc1	408798296	VPDOPYCUWGDWJO-UDWIEESQSA-N	614.290	6.522	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408803565	QOUBMEBZWWGNHT-HYARGMPZSA-N	575.890	8.088	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1	408805203	JNJUODUYELWVHR-PXLXIMEGSA-N	545.422	7.448	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1F	408812831	NYOQZWBDYOJASF-YVLHZVERSA-N	577.191	6.317	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)Cc2cccc3ccccc23)c1Cl	408816595	JVWFLHOUAQVWSR-WKULSOCRSA-N	510.377	6.353	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OC(C)C	408817937	WSMXWNMGLIFAHH-WOJGMQOQSA-N	504.368	5.585	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccc(I)cc1	408818085	MUQLQRYORGWEOL-STZFKDTASA-N	568.386	6.292	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)cc1	408821365	GPZSCIBRVLJKDA-QJOVZPHJSA-N	657.406	8.629	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1	408826087	SQZQYOGJVPKKCO-LPEPFOFCSA-N	654.359	6.373	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCc2ccc(C)cc2)c1	408832000	QSEUXHNWBNGPIZ-YZSQISJMSA-N	539.031	7.361	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	408844982	XKKABWUKZGWKMZ-SEBMTOOBSA-N	669.159	7.295	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(Br)cc1OCc1ccccc1Cl	408848677	RUZAYTOWXDPZLL-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	408855985	FLSHOUZDJJXXKG-KULFSUQXSA-N	751.483	7.015	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1	408859125	SYAQBMOVUSXXDG-WBIBEUCMSA-N	680.373	8.707	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2ccccc2c1	408859970	WIEDLQFPRFXDDV-BZFSWPTRSA-N	579.700	8.348	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3cccc(F)c3)c(OC)c2)cc1	408873352	PSPDHEUUXKKXMM-VXLYETTFSA-N	570.358	5.362	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)cc2)cc1	408874412	BEEKWLPQDOIVBH-FMFFXOCNSA-N	555.700	5.921	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408883188	UBIZSURIKORRFM-GIDUJCDVSA-N	626.088	7.551	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1c(Cl)cccc1Cl	408893249	LMJPFZAAIJAJCT-LFIBNONCSA-N	532.221	6.889	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Br)c(OCC)c2)cc1	408900821	XRDHCJLQEFUKES-FYJGNVAPSA-N	583.866	6.803	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922163	DQDMWZOQLDCOOV-MUFRIFMGSA-N	596.459	5.101	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1cccc2ccccc12	408945551	KZZUDIRFDMMXJE-PSXMRANNSA-N	692.838	6.431	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)c(I)c1	408952069	VGCHHFPEHOLEAR-JGCGQSQUSA-N	734.616	5.908	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408953216	LTVZKPWEINDALK-GMRZWGOISA-N	701.733	5.030	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(C)cc1	408963381	NSXLWXHBSILESV-VFLNYLIXSA-N	521.333	6.128	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	408971462	OVCACVPJXALVJI-BIQXANFGSA-N	624.952	6.871	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1cc(I)c(OCCOc2cc(C)cc(CC)c2)c(OC)c1	408971909	LUBLSBNKEIRJEN-YBFXNURJSA-N	535.378	5.099	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(F)cc1	408982681	YPFXOVYDZMSXNQ-RBVAJZFBSA-N	575.662	5.282	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(C)cc1	408984879	UAQWUOPOOTYXEZ-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc2ccccc12	408985729	YEIMNQFQQKJZCA-QRVIBDJDSA-N	531.439	7.978	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)n4nc(C)cc4C)cc3[N+](=O)[O-])sc2c1	408992012	PXZAZZYOHKDCII-LICLKQGHSA-N	505.581	5.815	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)/C=C/c1ccccc1	408997288	MMYSCUQHUZCWEC-VNKXEZHHSA-N	602.474	7.027	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2	409002355	NJDVJOVUCNBBPD-MIMCIKNBSA-N	551.599	5.014	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409005191	DKTZEWFBTYYENU-YNFMAFFXSA-N	637.756	6.662	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	409012530	IPWRSCSMTFCUSM-SRAHWNQUSA-N	588.488	5.879	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1ccc(F)cc1	409016312	TUVAEGDRYGJLTH-PNQUVVCRSA-N	671.688	7.334	50	40	KKGB	
O=C(N/N=C/c1cccc(Br)c1)c1cc2cc(Br)cc(I)c2o1	409017055	DWTQTVXDBZMLRZ-DNTJNYDQSA-N	547.972	5.326	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	409026493	QQXZSCNPEWKILB-KCSSXMTESA-N	611.507	5.357	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(C)C)c(C)c1	409042319	MHFGEUQZNSTDLL-CAOOACKPSA-N	506.238	6.409	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)ccc1OC(=O)c1ccco1	409060122	SYLVGOXFKHXFMB-MUFRIFMGSA-N	549.377	5.613	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OS(=O)(=O)c1ccccc1	409072977	UKQUOLVFVZAQQI-CPNJWEJPSA-N	588.423	5.312	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409129142	IWDPXYLESFEMSV-DEOSSOPVSA-N	544.454	6.094	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(CC)cc3)c(OCC)c2)cc1	409163830	YLABYOUDRBMFTL-KCSSXMTESA-N	672.520	5.147	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)c1C	409222636	CSLSNVZKHOJLMH-VCHYOVAHSA-N	528.823	6.827	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1	409227354	ZOFPSJWCKXBTBG-KYHGBAKBSA-N	562.409	6.237	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409233016	UEFUUCQTYCNGAJ-PXNMLYILSA-N	580.744	7.154	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1	409233080	JTUBRRBRLJEBRB-CTPANLQCSA-N	509.375	5.960	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br	409236293	DHIGBUHSZKYIOB-QDTIIGTASA-N	500.755	5.385	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409237855	JZEOSSDHKWXGLI-NHDPSOOVSA-N	724.258	8.192	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1	409250598	NCVSZIBZFUFDKI-VCHYOVAHSA-N	647.751	7.135	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409252332	DEOFRFQQVOISGU-OJYCWLPVSA-N	605.720	7.042	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409257682	UFAPUSUAYVAUCS-QRVIBDJDSA-N	532.040	6.536	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)cc1Cl	409262337	GVPAVUJJBKPQTL-LZYBPNLTSA-N	621.688	6.876	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409265506	VHMQUDDRDIJUIH-VCHYOVAHSA-N	586.845	6.512	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1)C(=O)Nc1ccc(Cl)cc1	409277102	ZABIAVFLODGBEV-FOWTUZBSSA-N	526.927	7.106	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)cc1OCC	409312708	GZYMZFVRKLGFIP-FDVSRXAVSA-N	619.310	5.790	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1OCC	409313741	PKJGOARMKJMDSF-MBTHVWNTSA-N	576.285	6.352	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	409315944	OZWJWCXLJAAGOY-UCMJSZAQSA-N	700.551	6.199	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc(Br)cc1	409368380	SRDNHKCKSFUCRP-KBKYJPHKSA-N	695.520	6.655	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCC	409372236	MFFWSVXZBYQXNO-DHDCSXOGSA-N	545.158	5.757	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCc1ccccc1Cl	409375569	MPARIFJGAYZPRU-VXLYETTFSA-N	514.807	6.141	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1F	409378679	RLZXWYGBDVMLBS-HQDYHJHZSA-N	595.656	6.483	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)cc1OCC	409394437	AIGHQPWTSOTFHU-UHFFFAOYSA-N	689.006	8.594	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409395892	SXDWMRUCPZKXEY-UHFFFAOYSA-N	651.300	7.616	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409396191	WZFGQEYTYMQAKJ-UHFFFAOYSA-N	669.732	8.136	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397184	HFIKKPGFCZKJOI-UHFFFAOYSA-N	597.627	7.099	50	40	KKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409406157	WCEBPJVWILGTGN-ZDSCIVGOSA-N	611.480	6.812	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409407452	ZVBVYDGRLKZKRX-OVIUPEKJSA-N	652.542	6.522	50	40	KKGB	
O=C(CCl)N(NC(=O)C(O)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)c1ccccc1	1809396	GVPPZYVLUYZSOQ-UHFFFAOYSA-N	530.852	5.263	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)CNc2ccc3ccccc3c2)c1	3090295	CAXQRJGAXIHARC-IBBHUPRXSA-N	595.291	6.455	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(C)oc2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	3307822	GQTKUHUXKLGMFN-VFLNYLIXSA-N	503.477	5.095	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccc(Br)cc1	6177782	DLOIJITVIDEEPQ-KCSSXMTESA-N	541.493	6.179	50	40	KKGB	
CC[C@@H](Oc1cccc(Br)c1)C(=O)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1	8384929	OLJIKHZFTMBSOI-WVVPCBRLSA-N	503.400	5.610	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	12250872	VLAYWDINCHEJGG-HHHXNRCGSA-N	512.610	5.841	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1)NCc1ccccc1	28214746	AVIUGNVKMCLGQV-UZWMFBFFSA-N	509.631	5.438	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	58913130	GRYPYPZYTBUJPQ-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)Nc1ccccc1	59646388	QGSDQKCJJJQWGS-HSASTMCKSA-N	564.667	5.242	50	40	KKGB	
CCOc1ccc(/N=N/c2ccc3oc(=O)c(/C(C)=N\NC(=O)CC(=O)Nc4ccc(Cl)cc4)cc3c2)cc1	73311753	XDIFPRCWMHKNKS-BYXKRZHOSA-N	545.983	6.130	50	40	KKGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1	97960468	UEKQIDHCDMSTAN-KKMKTNMSSA-N	625.111	6.031	50	40	KKGB	
O=C(N/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O)c1cc(Br)c(O)c(Br)c1	97965791	BHQNHMZPTKZFBK-RREIPUBJSA-N	534.975	5.094	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc([C@@H]3C(C#N)=C(N)N(c4nnc(SC(C)C)s4)C4=C3C(=O)CCC4)o2)cc1	98007236	GZZSEZHEJKTLMZ-QHCPKHFHSA-N	561.689	5.780	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1cccc(C#N)c1	100063496	HFSKEALXXDRKOS-WKULSOCRSA-N	571.269	5.754	50	40	KKGB	
COc1cc(/C=C2\S/C(=N\c3ccc(SC#N)cc3)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1C	101602198	CDKGCDUCBZHUJL-QRVIBDJDSA-N	609.527	6.248	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1ccccc1)/N=N/c1ccc([N+](=O)[O-])cc1	104315767	GQHXMIUCYRPUHP-RTTLUNEESA-N	508.542	5.412	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	106032330	WWRAAPZGUBJJSJ-FABQOPTDSA-N	538.648	5.339	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl	107784004	CXISNBKISGBIHO-ZMFRSBBQSA-N	579.778	5.594	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408552022	GWULGHFNAHSFGI-OVCLIPMQSA-N	568.766	7.229	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1cccc(C(=O)O)c1	408570718	XUGZGGKNUWAPSK-IPPBACCNSA-N	664.543	5.585	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408643882	QFAXJSQIWMOTBC-VCOUNFBDSA-N	533.839	5.572	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccccc1C#N	408676069	DMDWODHGDLKONS-FDAWAROLSA-N	547.453	5.663	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408735954	ZWWMHHSPBGPFSZ-VCHYOVAHSA-N	654.673	6.982	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cccc(Br)c1	408740745	MDLZFAQLDXOOMM-BRJLIKDPSA-N	506.169	5.694	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(F)cc1	408746879	XCYMFVJXSJCHLU-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(F)cc1	408747432	NVJMYAFZBDZPFU-YVLHZVERSA-N	607.217	6.326	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2Br)c1	408748143	ZBXZGOVEXDBWGD-NHDPSOOVSA-N	540.255	6.322	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc(I)c1	408750001	WAUXFWFINGFCOJ-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1)NC[C@H]1CCCO1	408773479	QWJYCLDFYPWLAH-CCWCOGDNSA-N	538.069	5.070	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)c(OC)c2)c1	408775687	RIASTVLHJFGPTE-ZDLGFXPLSA-N	572.253	6.353	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(Br)cc1	408779741	JKUMXCIQZCSKNL-YVLHZVERSA-N	607.217	6.326	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(I)cc1	408780877	MMPQCIZFBPOBIJ-YBEGLDIGSA-N	536.200	6.551	50	40	KKGB	
N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl	408783137	KLUOYFGOEOBABY-LGMDPLHJSA-N	526.876	7.939	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)cc1	408786287	OKEQLODJIZFZIJ-HKWRFOASSA-N	503.624	5.765	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3Cl)cc2Br)cc1	408787573	BZAKAMMHDYSMNS-YBFXNURJSA-N	555.812	6.022	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)cc1	408791246	VFJYTQOYFPFEBE-FYJGNVAPSA-N	502.368	5.844	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccc(Br)cc1	408803676	RYQWBTJXLJPQLQ-XQNSMLJCSA-N	505.412	5.693	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1	408808088	DCLRQDXOYYLFDM-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)cc1	408819972	SFJFQGSVJXCZJX-UUYOSTAYSA-N	521.411	5.577	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1	408822705	BSOIPNKVXLPGQG-FJEPWZHXSA-N	576.889	6.395	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCc1c(C)ccc2ccccc12	408823962	HBBMQVNOVZAONO-OEAKJJBVSA-N	557.046	7.342	50	40	KKGB	
Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(CN(Cc4ccc(Cl)cc4)S(=O)(=O)c4ccc(Cl)cc4)o3)n2c1	408826206	BSZCLJJOVOUAEC-CNCDYAKUSA-N	610.523	6.006	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408831505	POXUKHOBLCBVIR-SBWWSWLISA-N	744.892	5.380	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408839975	BWXJAGUEGPOEJU-ALQBTCKLSA-N	650.595	6.308	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1	408863412	MOGHNOUCSIQBBC-FADJLKOXSA-N	593.705	6.081	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408871010	WYNLHYFDJCNMCP-HASSKWOGSA-N	753.075	5.834	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3C)o2)Cc2ccc(Cl)cc2Cl)cc1	408873162	NWAIXAMLWKGNRM-UHIZKJEFSA-N	647.968	6.337	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(I)c1OCc1ccccc1Cl	408880985	JSCKWMFZURDUQU-MZJWZYIUSA-N	564.807	5.695	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OC	408895878	OITRVAGYFJREGB-NTUHNPAUSA-N	620.079	6.078	50	40	KKGB	
O=C(COc1ccccc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1)Nc1ccc(F)cc1	408941730	KDFISOIPJDOKEA-WKIKZPBSSA-N	510.319	5.116	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(C(C)C)cc2)c1C	408945852	LSRHSFUOJKKJIV-SSEXGKCCSA-N	587.746	5.103	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408954795	ZRQPAOXIHJMMDG-HKBQPEDESA-N	766.512	6.829	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408958356	YAUYDNNDJIZPFT-NAWMDJKCSA-N	846.300	6.668	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1ccc2ncccc2c1	408965529	IHPJEXUPCCVCKG-KKMKTNMSSA-N	542.231	5.637	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408973397	YULIDTPVPFFGCK-RYDQESHSSA-N	583.310	5.216	50	40	KKGB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2C)cc1	408980165	PQVMMMFNJXFWNP-IQZHWODWSA-N	564.686	6.063	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl	409000417	YCYWZVJVPWKKQI-OHUYPAJKSA-N	617.986	6.438	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br	409019168	PRDNEJPCDWTDTP-OPVMPGTRSA-N	558.610	5.317	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1	409025637	VIVQKPLCVWNENV-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)ccc4OCc4cccc(F)c4)cc3)cs2)cc1	409043468	FKTKDQSZUCFVQU-KVAAJVFYSA-N	571.077	7.998	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1	409046165	IYHXXNXTJYSGEI-WOJGMQOQSA-N	634.302	5.620	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409070815	GYLRDQJZMWTSAH-VCHYOVAHSA-N	504.340	5.675	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)c1ccccc1	409071464	RMILJSKQEBLHKL-MHWRWJLKSA-N	553.659	6.697	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(CC)cc1	409156109	RQXRKGYGTSDYPJ-FJEPWZHXSA-N	557.434	5.061	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	409183971	HFRSDTVXWVYDLU-FJEPWZHXSA-N	622.969	5.730	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)cc2c1	409187401	PZYRPNQHPBQEKV-MUXKCCDJSA-N	523.929	5.745	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1cccc(C)c1	409187989	DYDHJNCJDPEDRW-NDENLUEZSA-N	530.406	5.543	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl	409212630	RBEKFJCLMIWQGC-KKMKTNMSSA-N	509.842	6.477	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(Br)cc3)cc2)cc1	409224366	JLUBYVSLAFSELA-LJUMEUDFSA-N	601.413	5.901	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)c1	409226120	SFXRPKBPKXBROD-LICLKQGHSA-N	514.796	6.518	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(I)cc1	409229458	PHVRGSYBYFULRJ-CTPANLQCSA-N	572.830	6.317	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409245716	YCKMGRCMCMANOK-DBFSUHOCSA-N	554.243	6.566	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1C	409264425	FRDOWYXGUCYALY-XKZIYDEJSA-N	518.013	6.227	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1	409269645	LBTBNORDOMTWSD-MTJSOVHGSA-N	592.446	5.424	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1OCC	409314712	GXDJERXNYCRFLB-UHBFCERESA-N	604.416	5.745	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccccc1	409320145	PHJDRSIGAKMWBW-FZPRHHONSA-N	593.449	6.527	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1OCC	409321911	HVBLKFHDZIGKAW-MBTHVWNTSA-N	515.379	5.729	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccs2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409370215	NBNAAICFTMLPMK-ZRGSRPPYSA-N	524.495	5.321	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409371660	JJODQTHTQFHAHP-NVMNQCDNSA-N	548.220	7.706	50	40	KKGB	
COc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1	409373677	XXHFSVMFDDITDT-QHDYCIAZSA-N	599.753	5.583	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409380212	KMPNNDYNSRUWOV-WJDWOHSUSA-N	528.765	5.805	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)c1	409394763	FOSPNKMUACHOEV-UHFFFAOYSA-N	706.778	7.877	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc(Br)cc1	409395980	UUFFIPFZDGPACZ-UHFFFAOYSA-N	714.183	8.245	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Br)cccc4c3-c3ccccc3Cl)cc2OC)c1	409398328	SNWVSGWNBYXHFG-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409398798	VXGWVUZRUJNCEV-UHFFFAOYSA-N	541.966	6.619	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409399279	YVKJEENKOMWSLO-UHFFFAOYSA-N	605.388	6.024	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)cc1OCC	409399322	ZMFHIKFJDISEAH-UHFFFAOYSA-N	707.952	7.873	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409403516	NGZVXBFVGWOKST-ZBLBMXTLSA-N	618.643	5.667	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	1529548042	WHRZNGOFMHGDQA-MKEMXLLOSA-N	734.442	5.815	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	1529548478	HHQXZMFFFJVFRF-JYALLGCPSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccccc1F	1529548908	PQUYWUMPUOMSQJ-AYSITGFNSA-N	828.442	5.499	50	40	KKGB	
CN([C@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)C(C)(C)C)[S@](=O)C(C)(C)C	1857795143	OPZNKILVSCIGHA-VJKWZVKUSA-N	597.805	8.358	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(OC)c(OC)c3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	1059993	QNJBDVCWCMUQRI-RUZDIDTESA-N	561.704	5.762	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)nnc2-c2ccc(Cl)cc2)cc1	1829516	WFRWMPAASKMATM-OCSSWDANSA-N	534.085	6.352	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1	1888960	JDUHCUFRBGUNBH-HEQFHQOESA-N	540.447	5.918	50	40	KKGB	
COc1cc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	2080008	DJQXVTIJYFNVGK-LWMHEAGWSA-N	520.582	5.067	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCc1ccc(Br)cc1	6166561	ASQJAFHYFQWJDG-ROPCREHHSA-N	617.525	5.934	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)cc2)sc2c1CC[C@@H](C)C2	6167146	RPYYLORNWIGCKF-CNTAWXSCSA-N	589.758	6.517	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1ccc(Br)s1	8454691	FYNYWYOKSLOLMR-MUFRIFMGSA-N	506.469	7.177	50	40	KKGB	
CCOc1ccc(N2C(N)=C(C#N)[C@H](c3cc([N+](=O)[O-])ccc3Cl)C3=C2C[C@@H](c2ccccc2)CC3=O)c([N+](=O)[O-])c1	8456021	LFWQREWZJLBDJI-WRHNGFHOSA-N	586.004	6.254	50	40	KKGB	
CCOC(=O)c1cc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)ccc1Cl	9187391	MPRAVGPTHLFADU-QGOAFFKASA-N	500.942	5.475	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3Cl)c2C)cc1C	20243659	WSTBHEBERQGNAC-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	20348552	FLPBOJJEXNOYIR-XMMPIXPASA-N	510.015	5.146	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)cc1	20764576	ROVDZXBJDMWWMX-MFKUBSTISA-N	500.336	5.033	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1	97968700	SREWUJWEBUFOSB-IEQIIXMPSA-N	562.489	5.243	50	40	KKGB	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	97980812	GZAVHUATNXBHSM-ZCTHSVRISA-N	530.097	6.491	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)ccc1OCc1ccc(Cl)cc1	98045565	VREPLLZQHMHZGD-AMGIVPHBSA-N	548.039	5.185	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1C#N	100063483	FCPKEUBNGQRSDA-WKULSOCRSA-N	571.269	5.754	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	100194958	AEYCVVKQGYIGGD-HNSNBQBZSA-N	615.325	7.806	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccc(Cl)cc1	100866986	MNPCQABTMBDGFJ-JVWAILMASA-N	540.874	5.983	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1	100988431	GUKCINIYVVROFO-ZYGWBPEKSA-N	563.293	7.365	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@@H]1c1ccccc1Cl	101304969	WMKZPBHBROMMSB-MHZLTWQESA-N	558.103	6.671	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	101556271	WPAGYAXENGRYII-GDLZYMKVSA-N	558.103	6.768	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1cccc(Cl)c1Cl)=C(C#N)[C@H]2c1ccc(Cl)cc1	102084423	QHFKZZFHFVBUIH-JOCHJYFZSA-N	546.907	7.084	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1	102512524	SQLDJEWGBKYRDB-YFVWJHKLSA-N	548.010	5.936	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	102810064	OQVDZFQXKOCUML-NDEPHWFRSA-N	575.090	6.064	50	40	KKGB	
CCN(CC)CCOc1ccc2c(c1)C(=NNC(=O)c1cc(OC)c(OC)c(OC)c1)c1cc(OCCN(CC)CC)ccc1-2	103424723	BGTRAFJLGXKTBK-UHFFFAOYSA-N	618.775	5.316	50	40	KKGB	
CC(C)(C)c1cc(/C=N\NC(=O)COCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O	104166737	ROGWIXPAQUYWFL-YNXSKVROSA-N	594.797	5.905	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	112255485	XTRIWOOMKGYUSX-AFMWYRBHSA-N	543.598	5.111	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	150427552	PHPRKPVUGUNQJB-DBFSUHOCSA-N	662.149	7.031	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	162476585	VIQQNEZZAWMCSI-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCC[C@H]2[C@@H](C)P(C(C)(C)C)C(C)(C)C)cc1C	202309439	MUYKQLVEXOTWSJ-QUFBTCJSSA-N	542.725	9.006	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2OC)ccc1OCc1ccccc1	408536981	BTMLVKLCALUYHE-IMRQLAEWSA-N	564.638	6.806	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)ccc1OCc1ccccc1	408538201	KCCMHZBCDKFHIO-YDZHTSKRSA-N	575.448	7.411	50	40	KKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC	408539023	DOKCZDUVRQKDGS-YQYKVWLJSA-N	504.627	6.396	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccccc1	408539837	JZDDTOCWNMCAAT-ZXVVBBHZSA-N	540.457	8.070	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	408539958	KXYAOQPYJVKZMV-PCLIKHOPSA-N	571.427	7.588	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540046	MFDHMVIIDIGPKX-HQDYHJHZSA-N	623.931	7.432	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550608	FOSUGWAWBMDXNF-KYHGBAKBSA-N	550.442	6.256	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551249	MRRDSKCIJZOGAC-CIAFOILYSA-N	647.392	8.301	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)c1nc2ccccc2o1	408553608	ONWPMFSDVSZNOO-OQLLNIDSSA-N	543.204	6.979	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408610630	OPTHGHFHIQFZHA-XKJRVUDJSA-N	510.299	5.680	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1OCc1ccc(F)cc1	408678419	YVTPYRUOKYSIQD-UZWMFBFFSA-N	501.602	5.896	50	40	KKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)c1C	408746498	DTCZEBRDENMZLY-AFUMVMLFSA-N	501.368	5.034	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)c1	408746537	ZWGCXKNUGMWADK-ZDLGFXPLSA-N	560.673	7.298	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)NCc1ccccc1	408748075	XYYKGUWBBYQNJN-NDENLUEZSA-N	528.777	5.747	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)c1	408762960	MDYWXKOROOKXOA-BUVRLJJBSA-N	571.471	7.524	50	40	KKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	408775267	FTKPFTVZXCDGCA-UYRXBGFRSA-N	507.804	7.925	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408778011	OEUOTJFKZDMMOE-ZDLGFXPLSA-N	622.290	6.797	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Br)cc1Br	408778758	YMYYLLAKMZLIMV-NVMNQCDNSA-N	590.699	7.307	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408789920	SPIVONASCSBHPS-VXLYETTFSA-N	559.833	6.957	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I	408790972	SFZJLKOWFQFUKM-CXUHLZMHSA-N	582.179	5.070	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408794300	IQTLHXVNJLTHPJ-CXUHLZMHSA-N	701.096	6.489	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc2ccccc2c1	408794477	JHIURVKXKRIUFO-WSDLNYQXSA-N	594.836	7.231	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(O)cc1	408797343	RGJVTDWSBMPILS-CXUHLZMHSA-N	518.194	6.586	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccccc1C#N	408798172	UYVAFUZTTGBRHF-WSDLNYQXSA-N	607.404	5.473	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408800698	QSDAOIRGGPDDAG-BUVRLJJBSA-N	646.481	7.063	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408809732	HSQVNYOXBAQOEC-GIJQJNRQSA-N	531.823	7.097	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408815240	UTJUESITBKCODR-OCKHKDLRSA-N	623.274	6.418	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(C)c(C)c1	408818476	YCPHQZJMQHIJRZ-DJKKODMXSA-N	515.824	7.397	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408822449	BWNKPJNFQUZNAG-BUVRLJJBSA-N	754.375	8.064	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCc1ccc(Cl)cc1	408824161	HGNDJRIRTYIHOF-GIJQJNRQSA-N	606.300	7.296	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408830399	PKRKKKWLFAUUAV-WPWMEQJKSA-N	667.987	9.276	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408837351	CTKSPCXACGOSNA-MWBNBJEGSA-N	685.040	6.961	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408837631	KEGYHVRYHDGGIB-JJKQSNDFSA-N	577.934	6.032	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)c1ccc(Br)cc1	408841694	GTPSRYNISSBVCO-HNSNBQBZSA-N	616.468	6.092	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408844363	NSFXWCLBUYDGIF-ODQASSKESA-N	723.457	9.421	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408851757	NOXTYPDRFCZKLY-WKIKZPBSSA-N	523.339	5.245	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(I)cc1	408852225	DTIHQAJJNAKRJB-DBSPGSINSA-N	734.432	8.561	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	408858849	QIBJRJCZIANBEH-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408861212	AABIBHPQBILMOV-VJZBGCAWSA-N	517.782	5.993	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(OC)c2)cc1	408868934	QAEKXWZUOBIHBQ-HYARGMPZSA-N	519.395	5.771	50	40	KKGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1c(Br)cc(C)cc1Br	408887771	UAGQKUBIWUOECH-NBVRZTHBSA-N	520.265	7.025	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccc(F)cc1	408925325	QZXHHLCLDCDPSX-VCHYOVAHSA-N	621.244	6.716	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c(OC)c1	408950249	GRXIEZMJZRXDGK-RZNGARSMSA-N	641.508	5.301	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1cccc(F)c1	408951242	IDWJGMDPLWCABJ-QKRNDYIXSA-N	674.726	5.261	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	408953746	XZPYLODTBDHZTH-MUUNZHRXSA-N	741.462	5.547	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(Br)cc1	408977052	CNPAOXCOYZMYLZ-RBVAJZFBSA-N	636.568	5.905	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1cccc(C)c1	408993391	WKNACIXJDOUKQE-MYYYXRDXSA-N	501.026	7.209	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)c([N+](=O)[O-])c2)cc1Cl	408994251	YNEHAJBMDUSECE-XDHOZWIPSA-N	652.113	7.664	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409005160	CTWUJNYPPVCSNE-UUYOSTAYSA-N	655.387	7.407	50	40	KKGB	
CCCOc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	409011465	FLSSKLAFNIRSFI-YOZSFDKUSA-N	538.472	5.239	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1cccc(Cl)c1	409034793	OLBSOWHAACFEGG-FABQOPTDSA-N	647.900	7.511	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(F)(F)F	409064578	DJSFGSANENLCBE-VFLNYLIXSA-N	544.382	5.353	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)c1nc2ccccc2[nH]1	409074807	RVVLSAIVUHJUKH-XNTDXEJSSA-N	559.239	5.920	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409079916	CFTHYXZEKQOGRV-LICLKQGHSA-N	522.901	6.202	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1	409154020	JPQQAFNHPQICPO-VTNSRFBWSA-N	672.520	5.202	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1	409156781	TWIJSUDAVLRAOG-IURWMYGYSA-N	546.933	5.082	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	409171536	DECGJKWBYFOMQZ-XAZZYMPDSA-N	699.329	5.502	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccccc4)cc3Br)cc2c1	409186350	ATXYJAPOSOFBBS-MBTHVWNTSA-N	523.383	5.946	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4Cl)c(OCC)c3)cc2c1	409187391	PWONKIGJEMKFDM-MNDYBZJGSA-N	527.404	6.880	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c2)c1	409224825	MXZKHCPZTKTHHN-UHFFFAOYSA-N	572.415	5.693	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409225512	PBKPRFPHHSDXCK-VCHYOVAHSA-N	510.377	5.874	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409248411	KDWHAKWZAFQBQW-QLTNSANVSA-N	550.409	6.119	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	409265397	USTZOPBLOQQCBJ-XDHOZWIPSA-N	538.829	6.283	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	409266650	KQMOOGRRRKMVLI-LDADJPATSA-N	508.347	5.460	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409305259	UKBQHGMENRYUPU-AQLQTECXSA-N	673.382	6.580	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)ccc1OC	409309997	OZGLCGNBIJLXPJ-VYYCAZPPSA-N	626.323	5.459	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1OC	409317359	PETTZURMCBLHDZ-RGXNXFOYSA-N	510.590	6.155	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2F)cc1OCC	409326282	JHKVNMIUFXMDSG-MWLSYYOVSA-N	529.406	6.119	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OCC	409336336	RPFSVCOVYBRTNW-UHBFCERESA-N	542.419	5.738	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409356036	DQUDCUCVAPVQSC-VPUKRXIYSA-N	571.686	6.559	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cc(Cl)ccc3OC)c(-c3ccccc3)c2c1	409396714	AJPSXLYYWATRSC-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cccc4c3-c3ccccc3)cc2OC)c1	409397041	FMBONONMMUUHHI-UHFFFAOYSA-N	533.584	6.144	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(I)cccc4c3-c3ccccc3)cc2OC)c1	409397181	HELIRXQFXKQFPE-UHFFFAOYSA-N	645.453	6.440	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)c1	409397260	IANQAVCTHNHSSS-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3Oc3ccc([N+](=O)[O-])cn3)o2)cc1	409400378	COSLBQXTJHCBSY-BJUCDSOZSA-N	630.455	6.888	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409402018	IWSBBLNCUCLGKQ-BVMLUPFRSA-N	595.008	5.534	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCC(=O)OC(C)C)o2)cc1	409403818	ODZXRDQHVLSJKC-CNCDYAKUSA-N	653.486	6.031	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409404266	PQCAIAXHZXUFBV-NMQPEJGJSA-N	608.489	6.123	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1	1529547892	QYPUZUZYQSPIJL-YMEQDBNJSA-N	637.158	5.121	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12	1529549413	YIGKUXJAQHMQQX-NPBPKHCLSA-N	677.610	6.611	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O)c1ccccc1Cl	1531387102	CTILUKBAJQUDPH-OCSSWDANSA-N	524.920	5.727	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	1769531	HGFMXDIOWBNPTI-QGOAFFKASA-N	547.976	6.959	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	3103007	TWVOJQXIKPTCKN-FJEPWZHXSA-N	581.264	6.146	50	40	KKGB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(=O)c1ccc(CSc2nncn2C)cc1	3225269	WXTKWNGHRUMMOU-IPBVOBEMSA-N	533.967	5.038	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(C)cc3)cc2)sc2c1CC[C@H](C)C2	6167507	OIRZFEVIMQKAAJ-GXKUFFTJSA-N	547.677	5.528	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\C=C\c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	12466196	XGONPDWJPQJZDW-SSTMMHSMSA-N	509.679	6.448	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	32522835	MBPATHKYVFLPGJ-RPPGKUMJSA-N	502.448	6.425	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	33353260	KKQTUOMXPWVPRC-FZSDHLTPSA-N	651.564	8.192	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	97951922	BMRJTCDRNDPYBT-XMMPIXPASA-N	522.989	5.779	50	40	KKGB	
CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2Cl)c2ccccc12	97965819	XWJMPTPRFWWPRT-WOJGMQOQSA-N	522.001	6.654	50	40	KKGB	
CCc1cc(C(=O)Nc2ccc(/C(C)=N\NC(=O)C3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)cc2)cs1	97965874	GXCJXYIFHABMSN-YQYKVWLJSA-N	566.749	5.121	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3c(C)nn(-c4ccccc4)c3C)nc3sc4c(c3c2=O)CCCC4)cc1	97968531	FQZAHGOVZIVEQZ-KYHGBAKBSA-N	582.755	5.679	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(F)c2)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	98003588	RMNFFWGTLGOWOY-MHZLTWQESA-N	576.491	6.847	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)c2C)cc1C	100123830	WRKACPZILDAELL-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1ccccc1N(C(=O)[C@@H](Br)CBr)[C@@H](C#N)c1ccccc1OCc1ccccc1	100151496	QYVIONDQMAYCGZ-GMAHTHKFSA-N	542.271	6.330	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	100336742	QFRKCNRYTHMVFZ-ZDLGFXPLSA-N	536.196	7.250	50	40	KKGB	
COc1ccc(Br)cc1/C=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3	100852472	AFXRZCKERWODQU-NUJZUDFISA-N	597.560	5.648	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1	100990647	NXWIXJIESNDKCI-GHIWRQRASA-N	542.842	5.438	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	101714073	JCIYEWZKVQCWMB-BKUYFWCQSA-N	545.393	5.683	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)cc1	102495916	YLHQVSQACHCGJH-UMSFTDKQSA-N	590.789	9.229	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528635	UVOURMHJFSFSRW-LJQANCHMSA-N	562.436	10.275	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)cc1	103845314	ROJDMIWAWGAZCN-VBKFSLOCSA-N	529.232	6.173	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@H](Br)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1	138832564	DZSQSWJRXRUNRM-VPUSJEBWSA-N	573.399	6.392	50	40	KKGB	
CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341216	HCCHHYJWMYMSJG-YFKPBYRVSA-N	766.114	9.896	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341802	DMVTXXYKJORHEJ-GOSISDBHSA-N	898.458	14.332	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342174	BFPXNJSBGCFJMB-UWTATZPHSA-N	742.023	9.022	50	40	KKGB	
Cc1ccccc1NC(=O)[C@H]1[C@H](c2ccccc2I)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N[C@@]1(C)O	150407186	VGFWJBMPRZJZRL-GEBXHLAXSA-N	717.427	6.119	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1	150507673	QTRSCGRAIGSGSD-OPMVSEGRSA-N	676.040	7.505	50	40	KKGB	
C[Si](C)(CCCNC(=S)Nc1ccc(Cl)cc1)O[Si](C)(C)CCCNC(=S)Nc1ccc(Cl)cc1	195902490	AMCUANLPNSPDBF-UHFFFAOYSA-N	587.791	7.473	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OCC)ccc1OCc1ccccc1	408539731	JPKZFALDKDMQAN-OGLMXYFKSA-N	597.111	8.150	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(F)cc1	408551659	FCVZMVOASFPNRX-OQLLNIDSSA-N	563.210	6.458	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552512	QKFIPHOOYAXXMN-ACXHZZMFSA-N	536.415	5.866	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(I)cc1	408567059	COMHKWOJMGMDAL-IPPBACCNSA-N	654.979	6.540	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccccc1Cl	408567591	FTLGTWLLXYJYDY-IPPBACCNSA-N	654.979	6.540	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1I	408598689	ILOUYRGBCKVRTP-NTUHNPAUSA-N	587.224	6.216	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1Cl	408599120	OVYDPKNNVAPXEU-LICLKQGHSA-N	526.843	7.223	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Cl)cc1Cl	408642808	FGALARMSKCQUEJ-IOGQTDPRSA-N	698.022	6.318	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1OCc1ccc(Cl)cc1	408727041	WZVONPNKKCGNGH-BRJLIKDPSA-N	538.769	5.588	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)c1	408727233	VHKUPVPBQLFFIA-RUMWWMSVSA-N	502.574	5.987	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C\c1cocc1-c1cccc([N+](=O)[O-])c1	408738325	RNADZMMENWYSHV-NPIWLJDASA-N	524.577	5.278	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408743476	ALCLCWXHVDXPFU-CHHVJCJISA-N	571.085	8.187	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)c1	408744672	GKJUZMUKCVXIEL-ODLFYWEKSA-N	588.829	6.477	50	40	KKGB	
N#C/C(=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	408758701	PJMPCMLWVUNGIR-PYCFMQQDSA-N	502.957	7.411	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccc(C(C)C)cc2)cc1	408772223	FJSCTAFRTULSMV-RWPZCVJISA-N	518.466	5.771	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc2c(c1)OCO2	408780547	DGTRTFOTTIFGSF-IMRQLAEWSA-N	551.643	5.377	50	40	KKGB	
COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)cc1OC	408785999	DNAJJZWGOBWEDH-UHFFFAOYSA-N	529.703	5.676	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2I)c1	408787736	FNPGTEHVAOEZCH-MFKUBSTISA-N	679.352	8.066	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408793923	QWYMWSSVZHZBOD-VXLYETTFSA-N	515.824	7.342	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(O)cc1	408798610	WFCSVAKGFLGGDT-GZTJUZNOSA-N	528.200	6.042	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2I)cc1	408818120	XYBRGAUYPCOPAF-ZMFRSBBQSA-N	540.313	5.079	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc(C)c(C)c1	408824032	PCRKMVZYXXGVRA-MTDXEUNCSA-N	611.536	8.168	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408832087	PWJSZUKYYRUNRV-ZMOGYAJESA-N	699.372	8.619	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)cc1	408838803	IOSCZOGIIWUTOX-VTNSRFBWSA-N	556.091	7.387	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)c1cc2cc(Br)ccc2o1	408843282	DBOKAZGOIKGISL-MNDYBZJGSA-N	625.260	7.296	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl	408860543	XYLRZICEGCGRMM-KVAAJVFYSA-N	674.976	6.483	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1	408872443	NKLFZZCBJRWTCY-ALQBTCKLSA-N	625.534	5.034	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1c(C)cc(C)cc1C	408876644	MUCCSULWUIIRTB-VKZMAOFBSA-N	570.111	5.156	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408881691	ODDJLLLGIMNQBH-GZTJUZNOSA-N	500.935	5.110	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccccc1Br	408893711	GXHSULLYYQNDQE-PXLXIMEGSA-N	505.412	6.535	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408898174	VKUNNNMOCUGNJF-OVCLIPMQSA-N	516.724	6.320	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1C	408921787	BZCIWCGIHIQWPJ-FYJGNVAPSA-N	538.385	6.123	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	408922116	DHEKGSLKCYFQDS-LDADJPATSA-N	582.421	6.677	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(C#N)cc2)ccc2ccccc12	408938693	AAHMVVHKDNREJI-MGBGTMOVSA-N	633.730	5.175	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408968590	ABUSHHOMAFUHFO-MFKUBSTISA-N	532.416	5.080	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1	409004931	GFSMYAMBUVIQMB-RJJFLPMKSA-N	593.850	7.249	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1C	409018460	HLDKXIGMEJSBEZ-CCVNUDIWSA-N	500.382	5.482	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(C#N)cc1	409033405	FDBZJDVILIPXKB-ZSNJKBEMSA-N	652.492	7.120	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)cc1	409046771	LZESFRMLLPZZRL-MHWRWJLKSA-N	592.265	5.539	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c(Cl)c1	409051043	HEAJDCNSWVZZDK-LUOAPIJWSA-N	554.641	6.655	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1	409060957	AOBUCIWNOZIPTG-XODNFHPESA-N	570.882	5.005	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409064440	DKLCUCJMDHDWOJ-OQLLNIDSSA-N	630.236	6.544	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)NCc1ccccc1	409077774	GSPMUHMQJGNCOF-LZYBPNLTSA-N	536.293	6.936	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1)OCO3	409097819	NPHCHVVKSQFBQL-QHCPKHFHSA-N	511.759	5.628	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccc(Br)cc1	409102461	AAOKBNGYHWXOPS-DEOSSOPVSA-N	586.236	5.746	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(I)c1OCc1ccccc1Cl	409135810	ZZKGLYVIGMAMKZ-FQEVSTJZSA-N	562.795	5.172	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Br)cc1	409140544	IVZNBANQSOCYOE-XKJRVUDJSA-N	652.283	5.322	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1C	409157729	VQVUELKRFXUQOY-IPPBACCNSA-N	571.859	5.080	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OCC	409187825	URXOBVSNQGJJLA-QFEZKATASA-N	534.350	5.164	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409219315	LEASWMOMHALSSU-FZWLWCIESA-N	613.970	5.791	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)ccc1OC(=O)c1ccc(OC)cc1	409225118	PBGSOCPEDXUIAD-UHFFFAOYSA-N	567.598	5.338	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2Br)c1	409236875	GMOZJEHRVIMJBQ-AIRTYWKNSA-N	554.282	6.883	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409256153	ODMIXIRKLSFMSR-LPYMAVHISA-N	548.437	5.397	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409259664	CDXCWOJOAWOECC-GZOMZLSJSA-N	668.219	8.312	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)NCc1ccccc1	409263911	IOCDYCIMUCZSGK-RGVLZGJSSA-N	583.280	5.761	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409266699	QVDIYXKWAUWSRV-PPDIBHTLSA-N	551.224	5.546	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OCC	409302184	HVOLMXGKORJWHS-MNDYBZJGSA-N	543.403	5.998	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409305681	WNWLBKSORPQOFC-BVMLUPFRSA-N	578.880	6.616	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)ccc1OCc1ccccc1	409323163	ODPWWVGHFSHOGV-FZPRHHONSA-N	609.904	7.042	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OCc1ccc(Cl)cc1	409360872	FZVCTYVYQAIXQE-DHRITJCHSA-N	543.936	6.117	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409371813	PDGOWPTUMPSYLZ-ZDLGFXPLSA-N	540.345	5.977	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	409387577	XBBUKNRRQUPIFR-WCMJOSRZSA-N	559.047	7.213	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1cccc(C(=O)O)c1	409391667	JITAHZXFJIDOBJ-OCKHKDLRSA-N	529.305	5.780	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccccc1Cl	409392083	KSCIVYDYUNUMGY-GRSHGNNSSA-N	533.768	7.126	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3Cl)c2c1	409395631	QBWMPZGTKXVWIN-UHFFFAOYSA-N	692.950	7.268	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1cccc2ccccc12	409398027	BAUYOOPESYZCPN-BIKKEBSBSA-N	599.687	7.771	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12	409398967	XEIBPNLMUXDCAL-UHFFFAOYSA-N	518.960	6.343	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC#N	409399218	IKEWTIBUYVYZKL-ACXHZZMFSA-N	532.984	5.594	50	40	KKGB	
CC1(C)CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	504124369	ITFBYYCNYVFPKD-UXMBUWNZSA-N	541.736	6.743	50	40	KKGB	
COc1cc(OC)c(-c2c(OC)cc(OC)cc2P(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)c(P(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)c1	575629748	ITFRFVKFGZCSKA-UHFFFAOYSA-N	810.996	10.605	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(OCC)c1	1529548225	BHHNNPOMEMKXIX-IZQZZFRNSA-N	807.505	5.916	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc(OCc2ccccc2)cc1	1826498	ODEZIAOZLHBRMG-MZJWZYIUSA-N	541.123	6.305	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	1889333	QDHDHTBXPKOEAF-HSZRJFAPSA-N	532.449	5.251	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)c(OC)c1	2097270	QNISXXMQFJGKPS-GDVZAJFZSA-N	566.687	5.681	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)NNC(=S)Nc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1	2700063	POMCQEJDPXKEEE-UHFFFAOYSA-N	539.086	5.096	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	3080028	HPZAFMMRMRKXBI-BZNSLHSRSA-N	577.706	5.767	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1CSc1ccccn1	8396590	XDHJYGIKZIBBQV-XZYGTATASA-N	656.790	5.898	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	12360198	FQVVKVKYIBWZET-VULFUBBASA-N	512.201	6.318	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1	13174068	WUXFUKGEEVNAAH-DEOSSOPVSA-N	507.999	5.178	50	40	KKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)C(C)(C)C)c3)c3ccccc3n2)cc1	20176987	ARVBCFWINDOZIO-QXUDOOCXSA-N	508.622	6.439	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)cc1	20243680	BKUJRRNCLYWAGE-BRJLIKDPSA-N	515.433	5.457	50	40	KKGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	59646697	BRGSEDLYUQESEG-NDZAJKAJSA-N	538.585	5.247	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	97950408	DOSNQZHTXQJXSX-RUZDIDTESA-N	548.462	6.301	50	40	KKGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)c1O	97957728	OZPGTNPJDIVWIZ-CFFXDDOMSA-N	650.755	5.566	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1cccc2ccccc12	97960811	MWXYTLFGWXQHRT-ATZGPIRCSA-N	525.992	6.158	50	40	KKGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(NC(=O)Nc3ccc(Cl)cc3)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1	98002768	NYZNEOZCCYZRFQ-OXTYCOSGSA-N	544.486	7.722	50	40	KKGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21	98008282	ZEYWAIRYMMBSJX-SSEXGKCCSA-N	524.983	5.971	50	40	KKGB	
Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C/c3cc(Br)cc([N+](=O)[O-])c3O)n2-c2ccccc2)cc1	98045827	LKEXNMVIKDYWSF-UDRPCTDCSA-N	610.494	5.195	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	100047171	KIMOYNXWRBHBEA-MWPHWLQBSA-N	575.496	7.021	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100129556	CTNATUBUTVSERB-YKQZZPSBSA-N	535.069	5.089	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	100287636	WIZYNIUJOGGSEW-TWKHWXDSSA-N	587.098	5.621	50	40	KKGB	
CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)C1	100867844	HXHZSCWMALNHDO-JZDTXSGRSA-N	540.178	6.099	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1	100904057	UCVBISFKEZDKNY-FOWTUZBSSA-N	521.360	5.656	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1	101510092	IDWDXHQLOMJDRU-AHKZPQOWSA-N	589.601	7.721	50	40	KKGB	
COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC)cc2)cc1	102916423	BPDKIEKWCSVVBW-CELDESRBSA-N	548.599	6.342	50	40	KKGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	102995658	YSDFRUFZRKJHQW-UHFFFAOYSA-N	548.421	5.190	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	103889643	MQPMUEIMQHETFE-ODLFYWEKSA-N	542.249	8.578	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccccc1F	103890948	SVGLSAYIVZJVAA-STZFKDTASA-N	525.407	7.384	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1	104580524	VQXQEGAMNMPLOC-RPPGKUMJSA-N	516.431	6.065	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)c1	150479228	GURUFFSWFFSKAR-XJECJHNESA-N	737.456	6.706	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	253497748	IDKDEJKAOLGAAX-OZMVWAATSA-N	604.619	6.173	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)cc1	408529413	JMZGDFOABWPPQJ-CCVNUDIWSA-N	522.390	5.165	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC	408538642	AYHIOYXVZYNENQ-VQNDASPWSA-N	567.126	7.830	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccccc1	408538682	PATSZGNRVACXAH-LLJCYPMUSA-N	709.655	9.791	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408566990	CCIYULVGBHIBOX-XODNFHPESA-N	578.499	6.488	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	408580417	PKNPWHNQFCTLJT-MHWRWJLKSA-N	539.234	6.596	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408672232	MMPGTMJBZLIAII-VXAPCQRLSA-N	574.313	5.346	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1OC	408725403	FVFHARIXJCQBAH-FMFFXOCNSA-N	587.698	5.245	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408726130	PUTVFTYZAIWQIN-JMIUGGIZSA-N	621.302	7.738	50	40	KKGB	
O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2	408727700	GDXOKTVVKUPFKZ-QMRORBIVSA-N	509.531	7.296	50	40	KKGB	
CC(C)(C)N(C=C(Cl)Cl)C(=O)N/N=C(\COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Br)cc1	408734533	YKOKPODDECKHRA-ROMHNNFLSA-N	633.458	8.787	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(I)c1OCc1ccccc1Cl	408741956	SYSFAUBVGKATPJ-VWJSQJICSA-N	648.328	7.357	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)ccc1I	408748033	XGZRHBGPCPVJLA-LUOAPIJWSA-N	725.546	6.663	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408751238	YCQVXLPPTKMXIG-KYHGBAKBSA-N	722.748	6.514	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccc2ccccc2c1	408760180	TWLYOPXVEGCUOY-PKAZHMFMSA-N	567.483	7.854	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)[nH]c2cc1C	408783133	LFJFSBBYUBFCTK-MBTHVWNTSA-N	500.690	8.119	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408788062	AOWZOOAPXBNANS-CIAFOILYSA-N	535.394	5.979	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl	408788789	HBUIZHSNHZBYLW-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408791752	BYIYEOPWNBTRHW-YBFXNURJSA-N	619.151	7.661	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408793734	QCBAUPJRMPVFAU-RQZCQDPDSA-N	559.747	5.977	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	408794301	IQTRUJPSADURDD-LPYMAVHISA-N	670.288	7.482	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)sc2c1CCCC2	408809446	RONXJTDWTHGLCV-LKZQPVPRSA-N	501.652	5.996	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1Cl	408819334	RHACRXLKWYQTGZ-OPEKNORGSA-N	537.381	5.657	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccc(C)cc1	408825607	BCCLTPFQVOTBBX-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl	408830506	NACLXMBCECAKSJ-KNBZMSCYSA-N	595.858	5.989	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408839207	OTNKULFOSAGIMR-VWJSQJICSA-N	657.974	7.074	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1Cl	408842936	LZISGFPIUFWGJV-KULFSUQXSA-N	652.003	9.256	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408842960	KUMDWBQZHFJCDR-KULFSUQXSA-N	755.872	8.714	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccccc1	408846580	TXYXKMHHFUQUKO-KPGMTVGESA-N	554.594	6.576	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1OC	408870253	UDIOEASMDQYGQL-LQKURTRISA-N	592.899	5.022	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3F)c(OC)c2)cc1	408878017	YVQLXRQGPSVDTO-YBFXNURJSA-N	523.358	5.520	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Br)C(=O)Nc1ccc(OCc2ccccc2)cc1	408880763	ISLNDNBZJJRLPP-XIEYBQDHSA-N	539.429	7.153	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(=O)c1ccccc1	408885088	ZYUGVLYUCLEOCG-CXUHLZMHSA-N	546.204	6.529	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OC(=O)c2ccccc2)c(OC)c1	408888181	XQYRERXUBZGFLK-LICLKQGHSA-N	552.337	5.139	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OS(=O)(=O)c1ccccc1	408889290	CDLXOLPFDUYQRY-LFIBNONCSA-N	503.363	5.315	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408889388	FWLFSKNRUDUGDJ-MWBNBJEGSA-N	585.572	7.965	50	40	KKGB	
Cc1c(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1	408895895	WISKMNLQZXURHU-WCMJOSRZSA-N	576.000	5.199	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904574	LQFMGDAMBUWYFD-BCHBDCPOSA-N	610.191	6.595	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccc(Br)cc1	408913602	QWFNNKZHWWRDBC-LGJNPRDNSA-N	503.780	5.219	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408913950	WFZKFIPACAVONN-PPOKSSTKSA-N	565.626	5.687	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cc(C(F)(F)F)ccc1Cl	408921972	MTFHZTYURKOANX-MHDJOFBISA-N	590.023	6.007	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	408923935	LGUPWESRTMLYCV-XMHGGMMESA-N	570.976	7.134	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2Br)cc1	408924997	PXVDNXSBPRAXBE-FOWTUZBSSA-N	592.265	5.534	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1	408933986	CCMMOHVGAYXDPP-CAQPMQTCSA-N	590.930	8.377	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)c(OC)c1	408949205	DZMIICKOJXEPID-OQMZEJBMSA-N	760.557	5.137	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c(OC)c1	408950589	HBWUJHSRQHQYQS-ZBVWQCQISA-N	730.956	5.318	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccccc1	408950717	HLMFEMPFPMUUFR-WGARJPEWSA-N	579.232	5.795	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408960309	DOZQIMWRRUYJMQ-RPPGKUMJSA-N	559.291	5.428	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408964335	GFRGYMROELWOQZ-VTNSRFBWSA-N	533.544	5.963	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCc1ccccc1Cl	408964504	SIDCAVPAKBQTCM-IPPBACCNSA-N	557.828	6.599	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCCOc2ccc(C3CCCCC3)cc2)c(Cl)c1)Nc1ccccc1	408970511	AQHNGPOHUBHLHW-ZCTHSVRISA-N	526.464	7.655	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc2ccccc12	408970753	DESYMVOYEFRVSJ-RDPUGCRBSA-N	534.443	5.792	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc2ccccc12	408983393	LVNKVZGIRVAHKQ-UUYOSTAYSA-N	517.412	7.588	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccccc1	408998909	SNFKSICFYSYVFB-UZWMFBFFSA-N	537.572	5.329	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2c(Br)cc(Br)c3cccnc23)ccc1OCC(=O)Nc1ccc(C)cc1	409013961	OEAVYMHJNOTGQI-HIWRWHBISA-N	656.331	5.623	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1cc2cc(Cl)ccc2o1	409021533	MDYAGQMGLTZSPG-AQLQTECXSA-N	523.803	7.889	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409024557	DTGCDXNDVPUBOB-FMFFXOCNSA-N	604.729	5.164	50	40	KKGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409027353	CTXRISVBHDZSHH-OKCVXOCRSA-N	592.501	5.060	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1)c1ccccc1	409047682	PSRXARXBEHYTCJ-VCHYOVAHSA-N	503.621	7.508	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409084985	YQDZSIGVHVPQFQ-KGENOOAVSA-N	551.521	7.387	50	40	KKGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409089694	OVJCSZIPBAJQLU-LSFURLLWSA-N	547.574	5.616	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C2=C1CCCC2=O	409131903	PNNVZUMCXFQCRM-OAQYLSRUSA-N	561.249	5.660	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	409180240	QJSBHRDJDXXZPE-HIILVWPSSA-N	659.758	6.547	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409223601	IUTLPIRMBLXNDS-UDWIEESQSA-N	534.410	5.638	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	409224314	KEIQYMYENGXKPE-YWFOEXFCSA-N	591.023	5.144	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C	409259572	AURROMQPONNGBC-NVMNQCDNSA-N	628.277	6.300	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409265281	RSXSPFNBMDAYAW-YDZHTSKRSA-N	562.464	5.706	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)ccc1OCc1ccccc1	409268232	ZXLHDQXYPPBLKU-VHFSBPNMSA-N	709.435	7.588	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409268353	ZEJNBVNCJUUMPM-WBIBEUCMSA-N	640.165	7.696	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)o2)cc1	409403386	MNIVNOJYDZMHTE-AEUUOICLSA-N	588.491	7.916	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCC(=O)OC(C)C)c3)o2)cc1	409406532	XAQNDEKPOISQMC-LJUMEUDFSA-N	529.593	5.360	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(C(=O)OCC)cc2)c(I)c1	1529548859	OQDRICSWHVFBAH-ZXFVVSEZSA-N	882.515	5.537	50	40	KKGB	
COc1cc(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccccc1	1531386410	IMEGLTSVHFUQCS-WBIBEUCMSA-N	627.097	6.710	50	40	KKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2	2372548	SUBDYAISTZSWAC-OBGWFSINSA-N	519.579	6.298	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OS(=O)(=O)c1ccccc1	2801626	VCLATLUMMKOSSE-LFIBNONCSA-N	536.915	5.681	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(Br)cc1	4196322	BMMMQOZBKNAWSC-RQZCQDPDSA-N	576.672	6.998	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@@]43C)[C@@H]1CCC2=O	4825250	XMEZZNCIZQQXCV-AXOMYGEFSA-N	546.579	6.957	50	40	KKGB	
C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1	8396833	OLVNJOQQHSOOLU-LJUMEUDFSA-N	591.535	5.660	50	40	KKGB	
CC[C@@H]1CCc2sc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4oc3=O)cc2C1	13129221	IFUWALWMUYDWSQ-HMNPYCRMSA-N	522.630	5.986	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	20028895	HDWRJSJJDBZROA-RUZDIDTESA-N	524.086	6.368	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1	97961926	NETDJTFDJTZMAV-PGGKNCGUSA-N	601.045	5.461	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C(C)/C=C/c1ccccc1	97965351	BROYUTUZQKOFRJ-NHXXUNPDSA-N	586.503	5.367	50	40	KKGB	
CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(Br)c(O)c(OCC)c4)CC(=O)N3C2)cc1	98048417	PEIGCQLOOWPMNQ-GOSISDBHSA-N	530.444	5.172	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100075434	CLQAKMHWMGGABT-GRSHGNNSSA-N	560.275	7.588	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100123861	HWKJLJIPVMYFSS-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)cc1	100239751	DYOOWZSBMQKZSW-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc(Br)c1O	100328858	DSRPODHLQXVMTJ-QDTIIGTASA-N	586.899	5.615	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	100343660	DCWRNCFMTRCCQD-APTWKGOFSA-N	604.729	5.082	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	100379404	CTBGUZZMCVBGDM-FDAWAROLSA-N	593.061	5.557	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Br)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852180	LBEMJSUKCRCAEH-LQNQUEJISA-N	562.537	6.545	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1	100954075	XUZZTYWEMAEZFN-XPQDGABRSA-N	541.051	6.367	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1c(Cl)cccc1Cl	102933277	UILLBLOGXOABKK-MHWRWJLKSA-N	528.348	6.131	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709379	PCEMAGPIUBOERM-YMFOOSGCSA-N	527.690	6.304	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	105511505	UQDCOHQOYUOYBQ-KBVAKVRCSA-N	581.541	5.312	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1C	108992220	ZMUHKQKKBUFGFZ-XODNFHPESA-N	609.156	6.863	50	40	KKGB	
CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341264	YCQXWJFLQNIBIN-ZCFIWIBFSA-N	880.155	11.556	50	40	KKGB	
O=C(CCCC(=O)N/N=C/c1cc(Br)cc(Br)c1)N/N=C/c1cc(Br)cc(Br)c1	150375573	NWXONASPZVESSY-JTZQCBLNSA-N	651.979	5.507	50	40	KKGB	
C=C(C)[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@@H]1SSc1nc2ccccc2s1	150392083	XIWJNWWOPFNDHF-PSUXHBTPSA-N	681.861	7.046	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(OC)c(OC)c3)o2)cc1	150410349	DYWCWWPVYNGNEO-DPNNOFEESA-N	656.113	5.148	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc([N+](=O)[O-])cc1	150537874	JVSIHXIIRWMYJQ-OPEKNORGSA-N	661.621	5.800	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408538876	CWKLGPSVVBSQMB-MTDXEUNCSA-N	584.510	8.469	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)Cc3cccc4ccccc34)cc2Br)ccc1OCc1ccccc1	408539938	KRUKLSXTWMHMAN-GLJXUZQSSA-N	702.443	8.614	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccc(C)cc1	408540800	BUWHOWRVHURGDH-JMIUGGIZSA-N	521.367	5.589	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(C)cc1	408543244	OIIFKYJKRPSEID-NHDPSOOVSA-N	535.394	5.979	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408555912	ZZAQZGBLVDYFOL-GIJQJNRQSA-N	586.928	7.982	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408566423	GHKBXAJMRPZRAS-RAWMCFOBSA-N	600.196	5.858	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccccc1F	408570253	TVWDSSVCDVYFEX-FJEPWZHXSA-N	605.551	6.574	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccccc1Cl	408598795	JTCPLDSXNNSKEU-BRJLIKDPSA-N	565.751	5.204	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCc1ccccc1	408599776	ZNAKPXAOUSZGLF-XDHOZWIPSA-N	553.425	6.802	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408616131	WKAJVEDWPDVZAA-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408643208	FURCKQJINPXRTK-HJHUVBBBSA-N	739.200	5.824	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O	408644423	RCUDBPMNQMIPIS-LQYAQLHQSA-N	557.861	5.284	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408644957	RZVLMEGLKZUOGG-XFIWCOJDSA-N	553.845	5.791	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408649638	YSALTKXERQTFRF-DUUJBTRBSA-N	772.938	8.331	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408726444	SUSRCCQYGLNSTD-QSTZLLJYSA-N	614.265	5.751	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2c(O)c([N+](=O)[O-])cc4ccccc24)c1)CCCC3	408732920	UNPKIJYKVYVXOB-MNDYBZJGSA-N	553.600	5.165	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408743526	AUJBCVIJKNWSDB-YVLHZVERSA-N	542.773	6.144	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	408744374	FEEVKQKOABCTKZ-JCMHNJIXSA-N	513.391	6.736	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)cc2)cc1	408744996	OPWVVHBQZKSQLX-HKWRFOASSA-N	524.358	5.815	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1ccc(Br)cc1	408746033	WQMZUEQHXQORCU-AQTBWJFISA-N	559.201	6.178	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408747330	MHYYSDRKQOLKGM-HMAPJEAMSA-N	595.324	8.288	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408770804	AVMWIRVCTIPXJZ-ZDLGFXPLSA-N	628.379	6.461	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1	408778144	BSASRJDAXVJSBK-BOPFTXTBSA-N	597.378	6.401	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2cccc(C(F)(F)F)c2)cc1	408780787	KKZLBGWMYYEMEF-WCMJOSRZSA-N	541.551	5.218	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1c(Cl)cccc1Cl	408785719	YMISPJFWKZUMAJ-WQRHYEAKSA-N	560.275	7.588	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408787682	DNNHPPDGUAGYGB-WOJGMQOQSA-N	590.699	7.388	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1cccc2ccccc12	408787891	HIKGADHQYDDWDG-MFKUBSTISA-N	555.472	7.743	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1F	408790443	WFYSSTJJMRNHGK-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408790554	QAWXWCDVVAFYBR-LFVJCYFKSA-N	620.874	7.648	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc2ccccc2c1	408790755	YHVBXLIWQBOPMD-OEAKJJBVSA-N	590.417	6.673	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795033	KUTVZMSIOGYTDF-WSDLNYQXSA-N	598.313	9.004	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1	408795476	VMTLYRYDJOIABP-YBFXNURJSA-N	713.151	7.345	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)sc2c1CCCC2	408815502	HWLPZITZIIBUKI-JCMHNJIXSA-N	517.651	5.443	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2cccc(Cl)c2C)cc1	408829557	JZXPJCIWNUDLMM-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	408831475	OASUTNBDOMVELT-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408835711	XUMYICAUAQGUDV-JJIBRWJFSA-N	529.423	7.697	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408838071	RDNSKWJZWALIEX-IRWBXMRWSA-N	760.321	8.304	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1ccc(N(C)C)cc1	408839584	UOGVQFTXUCGHQB-DPNNOFEESA-N	569.134	7.445	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	408840023	WZCIQIPOIVHBCK-KVAAJVFYSA-N	631.983	8.621	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408840341	ASVBOXLINWVGTK-YSYOEVFLSA-N	666.030	9.564	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1cccc(C)c1	408840573	ZJDKBMCREVIOFI-MWBNBJEGSA-N	597.140	8.175	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(C)(=O)=O	408859182	MRGXDXRGOQMDGQ-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)cc2)CC1	408861042	LNBLMLQNANSPBU-HPNXWYHWSA-N	612.130	5.452	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(Br)cc2)cc1	408870647	WIHSYEOCFSHGTK-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c(OC)c1	408873104	MXUSMILEXVJFLQ-ZVHZXABRSA-N	557.444	6.422	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc(C(C)(C)C)c1O	408880138	FZRNREPSRLQAAH-HNSNBQBZSA-N	521.101	7.303	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(Br)c1OCc1ccc(Br)cc1	408910842	LJEHHMACKIHYBI-IPPBACCNSA-N	590.312	6.335	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(OCC)c1	408944690	JJVJCLAPKYFWGK-GDLZYMKVSA-N	725.618	5.010	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(OCC)c1	408944701	JKHYSAPTMLHZIQ-GDLZYMKVSA-N	760.505	6.074	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1	408951437	UASCYDSJHMFARE-NDEPHWFRSA-N	655.546	5.052	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)c(OC)c1	408952443	KIBOTWGBQAUIPJ-PDQWDMBESA-N	795.400	5.501	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1cccc(C)c1	408969622	QWYSNZSQPJUYBM-QWKCNVQFSA-N	545.680	5.341	50	40	KKGB	
O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408974664	GJQQMBRLNUXWKJ-XODNFHPESA-N	536.448	5.215	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408977042	CJBNLBYIFZJCFZ-RZWSOBKFSA-N	518.592	5.840	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(I)c1OCc1ccc(Br)cc1	408999959	DHJPLUJBYDEDJJ-KCTSWOMUSA-N	888.360	6.676	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409009076	UTLXHJKNRFAODQ-HASSKWOGSA-N	660.609	6.862	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12	409030711	FIUKFKMPWFLUTI-OHUYPAJKSA-N	615.325	7.770	50	40	KKGB	
Cc1ccc2c(c1)c(/C=N/NC(=O)CSc1cccc3ccccc13)c(C)n2Cc1ccc(Cl)cc1	409031680	HZLJXXUXSLSTFW-VTNSRFBWSA-N	512.078	7.355	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409035297	RZABRJBTDAMTFJ-KCSSXMTESA-N	539.060	7.550	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1	409087197	BBZFNIVRYIXCRN-GZTJUZNOSA-N	667.378	7.354	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	409148480	YZATYKWGLXIFOY-HXUWFJFHSA-N	669.213	5.198	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1C	409160059	SHGZNWCGZZRNMJ-VVEOGCPPSA-N	577.852	5.460	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409190077	VTGAHZZFOIKHSY-KQWNVCNZSA-N	518.455	6.401	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)c1ccc([N+](=O)[O-])cc1	409199849	FGQIOYVRBUHJEH-JAIQZWGSSA-N	507.287	5.714	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1	409218301	HWDKIGHIZLHKJU-MNDYBZJGSA-N	542.419	5.970	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Br)cc1	409223129	GPKRXXBCKUCUQM-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409225470	QBGHULMLPFIKAX-FTAAKWODSA-N	592.608	5.937	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)ccc1OC(=O)c1cccc(C)c1	409226557	UOSAJTLYAYYYCY-UHFFFAOYSA-N	551.599	5.638	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1	409262545	FTUFEBWMPYAWOH-JAIQZWGSSA-N	508.405	6.482	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)ccc1OCc1ccccc1	409305785	XJDJEBGEQWZHJR-NKHVPTTDSA-N	715.826	7.542	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409318322	UTYFCXLHELBNKW-NHCUHLMSSA-N	562.475	5.119	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCc3ccc4ccccc4c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409322772	KZKAZXIXKKYOMP-GOTSBHOMSA-N	541.456	6.216	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1	409331781	HUMLCCLUNAKLPM-SFHVURJKSA-N	502.409	5.170	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409354603	IOPALHQMXJTXSC-IPBVOBEMSA-N	525.205	6.036	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409371661	FWWCFJNJIJJUBF-ZRGSRPPYSA-N	675.648	5.729	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1I	409372565	ZWZILXLATGHCJR-AUWJEWJLSA-N	558.113	5.433	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(F)c1	409373313	UAWLTLQHEINQOI-PPDIBHTLSA-N	573.271	5.236	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1Cl	409383820	JKEFBPVTTLFQJJ-LICLKQGHSA-N	543.895	7.957	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395822	SDDYWHGGCNCHEJ-UHFFFAOYSA-N	675.288	8.906	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409399014	XJGGXFXCUGDBAX-UHFFFAOYSA-N	572.448	7.524	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1	409399087	XSAOTELGRRXYAG-UHFFFAOYSA-N	511.965	6.681	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(Br)cc1	409399192	IHYKMRJQMMWUMP-VHFSBPNMSA-N	707.419	8.143	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)o2)cc1	409409039	LYUXVZTUXPLCKE-QIQJLBBBSA-N	683.515	7.320	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(N(CC)CC)cc1OCc1ccc(Cl)c(Cl)c1	1529548874	ZATHTIBJHKVXSZ-GCUJPOOZSA-N	698.673	6.304	50	40	KKGB	
Cc1ccc(C(=O)NNC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)n2)cc1	1415682	AJORTGSWTYDHHB-UHFFFAOYSA-N	521.524	5.551	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccccc1Cl	3086977	RJEMYHMVKDBDRQ-KKMKTNMSSA-N	552.208	5.513	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1COc1ccc(C(C)(C)C)cc1	8766948	TXZYYGHNTRSNFN-SANMLTNESA-N	508.574	5.896	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1Cl	12546914	FVJQECCDYVHVBY-GZTJUZNOSA-N	513.337	5.398	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3I)c2C)cc1	20197710	LIKBOYDOXGZYIR-MFKUBSTISA-N	501.368	5.251	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	20348688	LWTLGQPRHVZMFE-MUUNZHRXSA-N	526.637	6.149	50	40	KKGB	
O=C(CSCc1ccc(Br)cc1)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1	21965072	XCYVDWNJRNTQDG-FOKLQQMPSA-N	501.431	5.453	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1OC	33894386	VXXADYOYLSEVTB-QRQIAZFYSA-N	522.030	5.237	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc5ccccc5c4)c32)ccc1OCc1ccc(C(N)=O)cc1	59547261	OIJALYOZSBLQLD-MUUNZHRXSA-N	557.610	5.525	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(F)cc2)cc1	59647293	NLINGKWAQHNYGF-BIZUNTBRSA-N	525.605	5.786	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OC)c1OCc1ccc(Br)cc1	97960857	ZJSIOFJHOGLRLZ-FJEPWZHXSA-N	522.374	5.540	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	98048487	MDHWONJAQJJWTA-RUZDIDTESA-N	541.658	5.904	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1Br	100130662	GOBZZKDFPIFIRF-OKCVXOCRSA-N	530.491	6.810	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1cccc(Br)c1	100130672	SWKKEMMSWDOVJK-OKCVXOCRSA-N	530.491	6.810	50	40	KKGB	
COc1cc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(Br)cc3)n2-c2ccccc2)cc(OC)c1OC	100318017	MGOASKFOCURTHV-RHANQZHGSA-N	596.507	5.355	50	40	KKGB	
CC(/C=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)=C\c1ccccc1	100858835	QDTWKBDACSDOAS-JEDMWPFNSA-N	528.703	5.932	50	40	KKGB	
Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)nc2ccccc21	101174832	GUDSLLNFEFWKMX-CLCOLTQESA-N	548.672	5.665	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2)cc1	101566122	PUBKJDNWBCZGLM-GDLZYMKVSA-N	556.087	6.720	50	40	KKGB	
CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	102069726	KCDKIKPDHLMOAY-FAOGAKCWSA-N	577.917	8.117	50	40	KKGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	102979822	DDEVXVWMEGGRSB-RIHQVDFKSA-N	516.988	6.236	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	103890909	KSNOEGKZPUOMSD-MOSHPQCFSA-N	538.387	6.763	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1cccc2ccccc12	103890979	SIDXVRCGPLRUTI-UQQQWYQISA-N	557.477	8.398	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Cl)c3Cl)C3=C(O)CCCC3=N2)c1	104126508	IZCCSHHZFNWDRZ-JOCHJYFZSA-N	514.434	6.643	50	40	KKGB	
C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341143	RMLPULXLJZBQLW-VKHMYHEASA-N	688.053	8.480	50	40	KKGB	
O=C(NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150384399	SVFQCTQHQXKTPX-UHFFFAOYSA-N	924.158	9.153	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCC[C@H](I)CC(F)(F)F	169795335	SBBQQLOPFDGEIK-UWVGGRQHSA-N	530.072	6.839	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccccc1	207156156	QUFOBIIFQMUWHJ-OJSPLJLUSA-N	540.255	6.575	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	209605863	ZDDOKJAIYMDLEM-ZRGSRPPYSA-N	675.102	6.310	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	408537834	HLSKYWFTEKEQIV-LDADJPATSA-N	513.387	8.297	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1	408555120	VRBUELJEDBEODV-VCHYOVAHSA-N	514.796	5.888	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Cl)cc1Cl	408646901	JBJCVUXGRGDAJZ-KVVVQYPXSA-N	698.022	6.318	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408744314	DWKDRRLHAHKUMT-YVLHZVERSA-N	576.672	6.998	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744317	DWMKWMXTGIXESZ-SXGWCWSVSA-N	719.542	7.436	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408745669	ODVOEWSOBPXHNI-JCMHNJIXSA-N	507.417	7.245	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C	408773860	TZMWCBLUZUTTGY-ITYLOYPMSA-N	554.488	7.544	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)c1	408786922	XTWCVKWKAARWQJ-NDENLUEZSA-N	617.281	6.966	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1	408788386	CQNKMVQXQWIVTO-LPYMAVHISA-N	552.412	6.431	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)cc2)c1C	408796629	BBNFPDPWPOANEF-GZTJUZNOSA-N	531.781	5.906	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1)c1ccccc1	408801690	WYBWKVSDRRXNSE-ALDSOSFCSA-N	504.384	5.251	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1c(C)ccc2ccccc12	408805006	IJKPDNLEOFBVDI-HYARGMPZSA-N	531.439	7.978	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1cccc(Cl)c1	408806039	AGOPDTPDLDTICL-VXLYETTFSA-N	511.803	6.544	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccccc1Cl	408808414	GNENWIPFRIIZAU-WQRHYEAKSA-N	576.793	6.607	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c1Cl	408811437	LHPXFEUBHXBVFE-VWJSQJICSA-N	599.540	7.618	50	40	KKGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(C)(=O)=O)cc1	408824918	BJSNJJLDAWOCJG-ZNIRGWDNSA-N	659.386	5.657	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCc1cccc(Cl)c1	408835846	ZMDRLXQUJHRDAQ-VXLYETTFSA-N	527.404	6.534	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408841570	LKQDXROMUKWQHR-JZNDDVEWSA-N	533.875	6.321	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(F)cc1	408847230	UITFLRSIIHREPS-IIHBXENTSA-N	593.002	6.978	50	40	KKGB	
N#Cc1ccccc1COc1ccc(Br)cc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	408849524	WUYIVHYTDKYEAN-QDTIIGTASA-N	553.210	6.172	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2c(Br)c(C)n(-c3ccccc3)c2C)ccc1Br	408856879	LUSNBENIUMDSDO-MSXFZWOLSA-N	504.226	6.083	50	40	KKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1C	408857255	FOWKDRSAWBZATN-XZZBMYDMSA-N	533.481	5.013	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408858868	QLESEGNEOBKZND-XICOUIIWSA-N	639.561	6.298	50	40	KKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Br)c1	408868408	OLSDYEHHLOXIMA-OGLMXYFKSA-N	551.484	7.781	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1	408869434	RTMLLUFTXHTVJA-VFCFBJKWSA-N	542.499	5.504	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408871942	ZXEKXPUMZZZXDC-GOJREDGKSA-N	610.135	7.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(C)c(C)c1	408873923	XGOWBPHJWGIJMA-SRZZPIQSSA-N	573.409	7.608	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccccc1Br	408887273	PDMTZPHMFHOONP-VXLYETTFSA-N	651.726	7.539	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1	408889578	FMTQXSNXHILDGV-YDZHTSKRSA-N	563.448	6.376	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408898718	MNKONTSSRGGTFF-UDWIEESQSA-N	510.999	5.587	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccc(Cl)cc1	408898763	MWQDCSJLMYXZEK-GIDUJCDVSA-N	658.663	7.293	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OCC)c1OCc1ccc2ccccc2c1	408904056	DAAZJJIWGXJEMA-APTWKGOFSA-N	572.503	7.773	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)cc2Br)c1	408904286	HLMOMNQEMWLPST-PPDIBHTLSA-N	610.144	7.326	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1cccc(Cl)c1	408940310	CCOVNCNHNAVCOX-HHHXNRCGSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1C#N	408944547	IYNLAJZFUOHBOR-NDEPHWFRSA-N	652.560	5.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)c(OCC)c1	408945434	KRWOCNPQDGPTAV-PMERELPUSA-N	681.609	5.312	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408946818	BELTYWKHQVFRBU-MTJSOVHGSA-N	592.393	5.526	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(OC)c1	408953674	XSQKFZPRRMRWPA-YTTGMZPUSA-N	673.191	5.966	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	408966011	YPRVZPBSHZRNKI-VFLNYLIXSA-N	502.290	5.682	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969769	UFBYCZGVPVGGSO-SFSOYJNDSA-N	637.358	5.808	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	408971605	JZZRXIIXBZWDRL-RWRYAUHPSA-N	608.497	6.357	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408980312	QMNMHANBPMVUJO-AJCQQECZSA-N	506.389	6.265	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)cc1Cl	408985430	WVIGBUGIAKOXEM-QRVIBDJDSA-N	564.900	8.487	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1	409002238	MMSNXIUVXYFPRR-FHLCGDIUSA-N	594.465	6.484	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccccc1C(=O)O	409013923	ONFMQBSSLPVEKG-KBKYJPHKSA-N	606.214	5.670	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409033568	FQCOTRTYMTVNPM-RHANQZHGSA-N	516.395	6.002	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409037324	MZNUNBAYMFRLKQ-NNLKUIAGSA-N	629.558	8.415	50	40	KKGB	
Cc1ccc2cc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	409133138	ZQVNJPXAVHVYQS-RWPZCVJISA-N	618.884	5.147	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409135764	ZWHGZIXEMICDKG-SEBMTOOBSA-N	669.756	5.799	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)ccc1OC(C)=O	409222147	BQWCOAVHIYFMRC-YWIXHUCLSA-N	622.590	5.164	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1	409227090	XLDHWLPIVVTKKI-KGENOOAVSA-N	625.463	5.960	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409251584	PUCYRXQFEBLZNT-NUJZUDFISA-N	514.409	5.790	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409255582	HVCZAAPQQGOXDI-MHWRWJLKSA-N	578.772	6.684	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)c1	409267139	SXSCCEJZYIMHPU-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OC	409309293	FBWNBDIPCZBFDR-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OCC	409309729	LUISRESCHBOSHY-CPDSRJINSA-N	596.305	6.905	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccc(Cl)cc1	409312380	KTQDHJQOLRALBI-MUXKCCDJSA-N	594.833	5.703	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)ccc1OCc1ccccc1	409319815	MFWKXJJYGBHYRZ-MNBJERMJSA-N	500.982	6.271	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)ccc1OCc1ccccc1	409320470	BDVJOSZRBXPSQU-KYHGBAKBSA-N	563.423	6.519	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409325100	WYVIGJBEMFPKBD-PMACEKPBSA-N	525.841	5.717	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1	409360320	DTYKRWQTHNEVMX-MUXKCCDJSA-N	562.835	5.842	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(I)cc1	409372609	MKGJZQWZFWGIAY-VYYCAZPPSA-N	638.256	5.632	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(I)cc1	409390544	FDKNOMKIQKRVCT-RDRPBHBLSA-N	533.413	5.981	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409395093	JVJXBXYEIFLXSM-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1	409395204	KYLIGAWQMHTQHS-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409395247	LMMZABXZFDMVHM-UHFFFAOYSA-N	583.000	6.778	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409395828	SEDRFUGIGNLGKJ-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397004	DWXVNOMRKTYVBF-UHFFFAOYSA-N	610.856	7.926	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1O[C@@H](C)C(=O)O	409398284	COEFVWVPLYOICL-CZEFVEKGSA-N	610.461	5.653	50	40	KKGB	
CC(=O)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1[N+](=O)[O-]	409401592	HPWIXWCYTSNZPG-NUJZUDFISA-N	595.406	5.626	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409403421	MSNYOTDQVDFUEP-LIZYOPNSSA-N	638.515	6.132	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)ccc1I	409406240	AZAXSLIBZJKFNI-HQDYHJHZSA-N	646.529	7.351	50	40	KKGB	
CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	504217072	LHOVNDTUHPWXBU-HEVIKAOCSA-N	715.968	6.644	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)c(OCc2ccc(C#N)cc2)c(OCC)c1	1529548322	CNAOCYFJYUXHHI-PNPVWECISA-N	662.168	5.074	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(C#N)cc2)c(OCC)c1	1529548563	JBSGBNKNQCHCLL-SQTRLNBISA-N	753.619	5.026	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1	1857795038	ICLDONXQGZEXEU-CZNWIGJESA-N	593.713	6.671	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1	1829619	VFXSPZKHXOCVCC-JFLMPSFJSA-N	508.072	5.860	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)c(C)c1	3143033	VOXLTVPBWQDSBQ-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2)cc1	3664548	LASAPOPOHXYBDE-NDZAJKAJSA-N	518.038	5.808	50	40	KKGB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)cc1	3991859	VSSMMWAITSILRC-LDADJPATSA-N	500.407	5.957	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12	4065314	QWYICJZTWFMRDQ-XODNFHPESA-N	517.611	5.271	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccc(C(=O)O)cc1)=N\NC(=O)c1ccccc1	5580239	CXRMBSIXGHDRIL-HDDKTPPPSA-N	507.554	5.202	50	40	KKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1	9909708	IFIWCPXUCXOBEZ-WOJGMQOQSA-N	519.976	7.131	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	30738498	ZESMHPARGCRFBX-GHOWJBLDSA-N	529.593	5.764	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)c1	35189646	QYTUQSWWXWGXSG-MWLSYYOVSA-N	519.395	5.962	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	96933937	UHTZTMIVKGRCEH-HHHXNRCGSA-N	529.065	6.355	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(N)=C(C#N)[C@H]2c1ccsc1	98006095	WWUNRVLCPZEZRF-HXUWFJFHSA-N	573.691	6.852	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2c(Br)cc(Cl)cc2Br)=C(C#N)[C@H]1c1ccc(Cl)cc1	98048690	HZNVXFWFZODYAW-OAQYLSRUSA-N	630.189	7.175	50	40	KKGB	
Cc1cc(Cn2ccc(C(F)(F)F)n2)c(C)c([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c1	100250955	OZPRFYNVQNQCBH-HHHXNRCGSA-N	563.599	6.647	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C)cc3)=C(C#N)[C@@H]2c2ccco2)c1	102808054	XMKLRXGCIXUPJY-HHHXNRCGSA-N	544.633	5.312	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1	102965021	MDOLVVKXYKWUOJ-MBTHVWNTSA-N	575.319	6.636	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528711	JKOZYASQOQCHRV-OAQYLSRUSA-N	590.490	11.055	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)NCCc1c[nH]c2ccccc12	103842273	PSAMEUQIYOINOO-XKZIYDEJSA-N	544.405	5.473	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OCc1ccc(Cl)cc1Cl	112264752	QIUZKSAZGXBLFU-YSURURNPSA-N	545.160	5.543	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342069	BWWOVQKGELBFFI-REOHCLBHSA-N	692.016	8.387	50	40	KKGB	
COc1ccc2nccc(C(=O)CC[C@@H]3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)C[C@H]3[C@H](CBr)CCBr)c2c1	150378856	UQWTXUVZLPAUIV-BNIKKZEQSA-N	661.391	6.689	50	40	KKGB	
CC(C)C[C@H]1N=C(NN=C(CCl)CCl)O[P@@]1(=O)NCCCCCCN[P@]1(=O)OC(NN=C(CCl)CCl)=N[C@H]1CC(C)C	150420326	FYIAEBHMNQKKSA-QWHQJJFBSA-N	712.428	6.475	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164697809	UABGIGWKRBSJIU-BKUYFWCQSA-N	646.298	6.028	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(S(=O)(=O)N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)cc3)ccc21	245284710	UESNQLGQILSVFC-UAUPOTSESA-N	556.732	6.168	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408537468	FKLQVMSVEDJZFQ-IYVXLEGESA-N	733.290	9.845	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	408539533	XCDYUBRBAKGXCR-LDADJPATSA-N	539.392	7.371	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408667629	BTLABFJEPATAGY-UJOPUZHASA-N	562.302	5.490	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1)c1ccccc1	408728232	XNFSNBKMSVWEOL-PPOKSSTKSA-N	563.679	6.149	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408746117	RBESVMQNGMORNG-MFOYZWKCSA-N	587.224	6.253	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)c1	408746656	UZROIUNIZWRDAX-ZDLGFXPLSA-N	593.248	7.121	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccc(I)c1	408747068	YXVGBIXPPWTIQJ-BOPFTXTBSA-N	501.755	5.898	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc(C(C)(C)C)c1O	408762775	LERQHKZIVYMDIP-HNSNBQBZSA-N	579.535	7.052	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Br)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408784357	RYAGLNAIQBDNLJ-OVVQPSECSA-N	576.538	5.305	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408784973	DVCVTUPCYGJBET-WQRHYEAKSA-N	587.345	5.862	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(I)cc1	408785771	ZAQUYPJPEPSCHN-FSJBWODESA-N	522.184	5.225	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408789627	QMQIQXFXMLNEIA-WOJGMQOQSA-N	589.227	6.187	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl	408793064	CYYNJZODCCFYKE-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br	408793556	PKGJJBAACOBYNF-LZYBPNLTSA-N	536.220	5.316	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1	408797896	UGRJXJMAWXMBSV-GZTJUZNOSA-N	591.097	7.099	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408798169	UZFWXLIKUHDAFJ-UDWIEESQSA-N	536.382	6.189	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)c1nc2ccccc2[nH]1	408815845	SOGMIBIWDUNXTC-LICLKQGHSA-N	509.201	6.731	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408824448	QGDFQEFDMJHFII-HZQMBONKSA-N	733.312	6.325	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	408826391	DGCSULWMQGMTLQ-WKULSOCRSA-N	564.491	5.196	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408834794	VKUVGCCSHHHBDR-XSFVSMFZSA-N	521.798	6.239	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1c(C)ccc2ccccc12	408835341	YMXMOUGOUAAHPG-WPWMEQJKSA-N	623.536	9.167	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	408845020	DVHZUVABHAUNNP-CIAFOILYSA-N	570.281	6.413	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(C)cc1	408849426	YKFDLFPUHYSXPZ-MWBNBJEGSA-N	657.104	7.405	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408849446	YQSCDUTWLXVJOY-YLYVUXRMSA-N	745.866	9.258	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1	408865328	CDDGDOMLGMFXAN-KBKYJPHKSA-N	517.394	5.360	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Cl)c1OCc1cccc2ccccc12	408888649	YHLLWGHESJNNCT-LPYMAVHISA-N	557.990	6.933	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)o1	408888972	DCGQYKZDVJCKNP-UKTHLTGXSA-N	515.263	5.014	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OCc1ccccc1Cl	408891257	NPRAIBGHKJNWQD-MUFRIFMGSA-N	585.829	6.087	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408903898	AZOQJYATTSSJCZ-QDTIIGTASA-N	560.832	6.242	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OC(C)C	408904351	IEJSAHLDBYICOR-KSEXSDGBSA-N	513.230	5.862	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1	408908939	FGKQRTSXTTZONH-RDRPBHBLSA-N	502.412	5.243	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1OCc1ccc(Br)cc1	408922918	HOHPMXIKSBZEJZ-CXUHLZMHSA-N	577.218	6.797	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)n1-c1cccc(Cl)c1	408922939	HRXFZTHSJSEOQR-KCSSXMTESA-N	508.106	7.131	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)cc(I)c2OCc2ccccc2)c(OC)c1	408924935	QTDJRLDHKXEHEF-MWKDUONYSA-N	824.410	5.204	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408949120	QMCMYPGAXQTWDC-NDEPHWFRSA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408964646	XMXDSXZWBQEHLH-DSDAOZLQSA-N	709.421	5.742	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)c(F)c1	408966528	MBEYTUWLHPZYER-XKJRVUDJSA-N	511.738	5.328	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408972998	RGWHNLMFFNAXGI-DCUKZYAVSA-N	663.396	6.365	50	40	KKGB	
Cc1c(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)sc2ncnc(N)c12	408973695	PBADYGWHHNEVNC-HIUVJMHLSA-N	575.286	5.450	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1F	408983137	KVFZZHKHMHNTPM-GRSHGNNSSA-N	590.820	6.916	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	408985199	JXYPJGILBOAVIA-MFOYZWKCSA-N	686.569	7.903	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(C)cc1	409003177	RKILIWIKASCKID-FABQOPTDSA-N	590.463	6.936	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409006118	MGOMTQLYIJRAQG-RUMWWMSVSA-N	562.091	5.303	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)C2CCCCC2)cc1	409007535	XQOPIAXVROZPIN-TWKHWXDSSA-N	519.667	5.048	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409070385	FWADVQZBZUGUEU-CJLVFECKSA-N	537.037	6.089	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1cccc2ccccc12	409148137	XKSXMGBNLQJXIP-AREMUKBSSA-N	592.433	6.237	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccccc1	409149685	NGYVZXYHONFHKG-BRJLIKDPSA-N	581.204	5.111	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(Br)c(C)c2)c(OCC)c1	409156270	RPHCHJZEKJYHIM-IBBHUPRXSA-N	676.362	5.424	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409160734	INJPTIKUJWMXCO-FYFIDXDESA-N	533.422	5.764	50	40	KKGB	
CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409162866	IVFJOUZIYGJNBK-LHLJXMCQSA-N	550.826	5.900	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	409174281	QQMHYLKTCCOOFW-MUFRIFMGSA-N	535.385	5.586	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)cc2c1	409185072	RJGLCCGDSAGSBP-QDTIIGTASA-N	617.250	6.608	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	409208349	FJCNXLLEGCSIFF-KBKYJPHKSA-N	613.715	6.595	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c2)cc(OC)c1OC	409224298	JVYBPHZQUBLUEQ-UHFFFAOYSA-N	701.357	7.017	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409248986	GFHVAMRPHDYBCV-XKZIYDEJSA-N	562.022	5.705	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)ccc1OCc1ccccc1	409253211	ARUDKFWRXARVEK-AEUUOICLSA-N	622.505	6.761	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409254394	DDLAKIRDVSTARO-AEUUOICLSA-N	670.589	7.415	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409255880	JEVZBDYNDOETMW-GRSHGNNSSA-N	615.855	6.133	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	409257375	SINLAKSZBTTYIO-NVNXTCNLSA-N	535.214	6.863	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)c(C)c1	409261294	CMTVLHVCEUCZKK-NVJOKUIPSA-N	638.154	6.372	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl	409264553	MCXNQOAVRAKZQP-PPDIBHTLSA-N	535.225	5.846	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1C	409266102	JPRVNOBSOCHBIA-SRZZPIQSSA-N	597.307	6.069	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409268536	VGPGSJDWAOQYSY-MUXKCCDJSA-N	589.284	5.700	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409362512	HBJZKUNDKQCEJT-AEVGBRMKSA-N	702.606	7.944	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409366842	ZHIRUOAJWQANML-OPEKNORGSA-N	564.354	6.380	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1	409367529	DKAIJVUCKBYAGR-BVMLUPFRSA-N	580.548	5.944	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409385595	LURRDUTVYMUFSF-BCHBDCPOSA-N	609.340	5.787	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395047	JFPJTUZKUYNMKO-UHFFFAOYSA-N	764.641	9.032	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)cc1	409395599	PPGIYALHMNCPTM-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395755	RIJWPWDGUMNAGY-UHFFFAOYSA-N	607.837	7.686	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396543	WEULQCVBOMUPLM-UHFFFAOYSA-N	662.526	7.549	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409398099	QLRKSQPSSRPIGQ-UHFFFAOYSA-N	641.338	8.830	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)OC(C)C)c(Br)c3)o2)cc1	409403463	NBDVMVDITAQXAA-UHIZKJEFSA-N	687.385	6.885	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccccc1Cl	409404260	PPUODYIOVOXBID-KOKCXWAISA-N	632.544	8.315	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3Oc3ccc([N+](=O)[O-])cn3)o2)cc1	409405342	SXCVPVQWZVQBKW-UHIZKJEFSA-N	675.452	6.796	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCC(=O)O)o2)cc1	409407019	YNCQCXCLUBEJIX-DBFSUHOCSA-N	611.405	5.164	50	40	KKGB	
CCOc1cc2c(cc1C=NNC(=O)c1ccc(COc3ccc(-n4c(C)ccc4C)cc3)o1)OCO2	409408727	LCKSSWCJCRYMMF-UHFFFAOYSA-N	501.539	5.157	50	40	KKGB	
O=C(OC(=O)C(F)(F)[C@@](F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)[C@@](F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F	885164020	BHMVWXMCQRLOHB-YUMQZZPRSA-N	910.127	10.485	50	40	KKGB	
O=C(CC[C@](F)(Cl)C(F)(F)Br)OC(=O)CC[C@](F)(Cl)C(F)(F)Br	885164136	KXPLHILFZWAZLT-HTQZYQBOSA-N	520.873	5.401	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	1102420	WZFSYLPICMWQJX-AREMUKBSSA-N	533.053	6.256	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	1250119	MWGQQEXFYLPDMJ-SANMLTNESA-N	514.676	6.072	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1771785	OPIBFXNGGGGVBE-STBIYBPSSA-N	528.638	5.691	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1	1790509	SJCASVRFBODCGU-UZEPBSNMSA-N	502.039	5.434	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccc(Br)cc1	2726769	AALAHIWFYFBGID-UYRXBGFRSA-N	504.815	6.960	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)cc1	3113387	NZHTYGVMXJYKPX-KKMKTNMSSA-N	564.205	5.407	50	40	KKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)cc1	3166560	HDMBHLXITSGFMZ-DHRITJCHSA-N	590.154	6.130	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)ccc1OS(=O)(=O)c1cc(C)ccc1C	3334394	NWRGXCJEEGROIO-UXHLAJHPSA-N	531.634	5.251	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)c2ccc(C3CCCCC3)cc2)N1	6444294	OSBXETDSGHMSPZ-WJOKGBTCSA-N	567.780	8.055	50	40	KKGB	
COc1cc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)ccc1OCc1ccccc1	9693531	CBORAHSMEMDMLM-QHCPKHFHSA-N	501.583	5.633	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	20233494	OFYMVWVRCUVYNB-LQKURTRISA-N	514.047	5.010	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)c(C)c1	20243759	NCQZAYYLDAMMBV-WFMQBCDOSA-N	518.908	6.758	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(O)c(O)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	30750336	NNMMZXXOSXFWKH-MWLSYYOVSA-N	515.639	5.194	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl	58913470	VWWGSVHPCWOBAZ-OKCVXOCRSA-N	521.404	6.282	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccc(F)cc1	58979951	ORTDTSXXZXBULL-MUFRIFMGSA-N	503.555	5.491	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCC(=O)O	59336464	QNXRNDVNPVNXRN-SDQBBNPISA-N	514.159	5.164	50	40	KKGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	59473247	PQJOTOOEDABLOZ-UXHLAJHPSA-N	522.070	5.788	50	40	KKGB	
FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI	95681730	TWQMZHBMFUUHQN-UHFFFAOYSA-N	524.005	6.186	50	40	KKGB	in-vitro
CCCCCCCCCCN(CCCCCCCCCC)C(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N	95681964	BPISZRYQUYGHHJ-UHFFFAOYSA-N	686.810	9.964	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NC[C@@H]1CCCO1	97946463	FWYUTOVAEYRSSH-SIHJWBFKSA-N	573.480	6.627	50	40	KKGB	
N#C/C(=C(/S)NC(=O)c1ccc(Cl)cc1Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97984553	PEPXKPHDBJDEQP-SGEDCAFJSA-O	534.428	6.340	50	40	KKGB	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3sc(Cl)cc3Cl)C3=C2CC(C)(C)CC3=O)s1	98007262	VMHQWKHOLXTJOT-OAHLLOKOSA-N	526.540	6.348	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(=O)(=O)c1ccccc1	100289583	URZLUHZWFGUMBA-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1	100401115	TXLDKZPVDZIHBT-UHBFCERESA-N	585.469	5.066	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1	100858684	DIZMHDNSHCGJDG-MZJWZYIUSA-N	601.324	5.710	50	40	KKGB	
CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528393	IRSDMNZIPGHHFT-CYBMUJFWSA-N	528.281	8.569	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccccc2)cc1	103898992	ADWSJQVCCSXSGE-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(Br)c2)S(=O)(=O)c2ccc(Br)cc2)cc1	105585883	GRKFKRXMULCCOM-WPWMEQJKSA-N	609.340	5.346	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	150364226	MXSXOLOZPLLKME-KVAAJVFYSA-N	674.976	6.483	50	40	KKGB	
Oc1ccc(Cl)cc1C1N(Cc2ccc(N(CCCl)CCCl)cc2Cl)CCCN1Cc1ccc(N(CCCl)CCCl)cc1Cl	150374445	KWUFFUOKKWTAGW-UHFFFAOYSA-N	741.846	9.327	50	40	KKGB	
Cc1noc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N/c4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)c(O)c4cccc(NC(=O)C(Cl)Cl)c34)cc2)c1C	150398576	CLWFVZOMHLWLGS-YGJLQQOCSA-N	826.701	8.930	50	40	KKGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2	159253350	SYYJGEMJZYLOOB-BKNYSILLSA-N	729.649	6.055	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164737533	YGOFUHRBMUZDDY-YBEGLDIGSA-N	628.091	7.485	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc(I)cc1	216048859	WYEFJKWQOSCIAR-WKULSOCRSA-N	621.313	6.341	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1	408538146	JURHFWYKYIFSRL-VEILYXNESA-N	567.085	8.059	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408541463	ZPOBOMYXYQFNMH-APTWKGOFSA-N	573.487	7.078	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)c(C(=O)OCC)c1C	408547138	RSOYWSYXLYVFKX-HYARGMPZSA-N	596.101	6.760	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)c1	408551374	KMOZXGFJLQLHPB-LZYBPNLTSA-N	638.143	7.390	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554711	TYULLFDWGBIPPO-MFOYZWKCSA-N	544.822	6.527	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(C)cc1	408566505	AGJLLOIGXAGRPB-WKULSOCRSA-N	587.561	6.353	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCc1ccc(Br)cc1	408589130	KQWTVYNTQDHVGU-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408609955	MFLXMRRJCVSKHG-LGJNPRDNSA-N	500.780	5.079	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1	408612618	WEWNFEODZODYFI-LUOAPIJWSA-N	539.188	5.563	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408637519	ABXSVILKGJNACR-GAGZULNGSA-N	610.730	5.199	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)cc2)c1	408665571	FXEAAOHDIWLJRC-UHFFFAOYSA-N	596.478	5.396	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)c1ccc(I)cc1	408711872	OMZFACOIVDSUET-BRJLIKDPSA-N	569.624	6.050	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408732451	RRHSQAUSMKYYAA-BVMLUPFRSA-N	529.021	6.003	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c1	408744362	FCPDLQIEDCVDKM-NVMNQCDNSA-N	695.251	6.327	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408745538	NNYINOJLOONIEG-ZDLGFXPLSA-N	588.785	5.776	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408761202	CJCODASWHDGUFH-IPPBACCNSA-N	630.395	5.235	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccccc1F	408766899	WPGCTSDQFZGPOI-ZDLGFXPLSA-N	574.244	6.874	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1ccccc1	408767460	XWWACKCRSOAMPR-DPNNOFEESA-N	631.470	5.887	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1	408773375	IIVDMWCDRBEPER-KQWNVCNZSA-N	579.438	5.135	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2I)c1	408793436	FLZUJSGCLPPOOE-XDHOZWIPSA-N	510.331	5.430	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c1C	408797338	QXMDZSXKJSGILC-QGMBQPNBSA-N	656.145	8.102	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1	408798726	WUKXUFCRYGISEX-NBVRZTHBSA-N	506.356	5.021	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2c(C)ccc3ccccc23)cc1	408807088	ODHKSSOCWHZOIO-HZHRSRAPSA-N	510.977	6.713	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)NCCc1ccccc1	408810376	ITWQGVGUQLUJBS-FYJGNVAPSA-N	540.255	6.056	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408821294	FUENOZTZRMSVFE-DJKKODMXSA-N	515.824	7.397	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccc(C)cc1	408824926	BLNPSRIKFPBZSO-HPNXWYHWSA-N	607.732	6.390	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408832808	RMUJPQOHKOKAPH-HYARGMPZSA-N	642.764	9.113	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408846789	RICNGAXNPIKEEQ-AABVJFSESA-N	652.401	8.966	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408863420	MOVIXHDTJNMFOZ-MPRHAZATSA-N	635.360	7.508	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408872115	KSXPEKHMEHDZFQ-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1Cc1ccccc1Br	408880871	IVZXWQCFARJYJF-WOJGMQOQSA-N	511.803	6.343	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408883063	SWWZUSNZAMFGIE-QNVXDBMFSA-N	637.511	7.074	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	408884155	XAHPRQMYUJYMQC-JJROPDTMSA-N	608.536	5.928	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408884345	UCTPLBJTBDZSIP-AUGOTPMTSA-N	619.743	6.824	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	408886425	HCPVSUFVGPDGKV-RCCKNPSSSA-N	527.374	6.376	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccccc1Cl	408887880	UNRYOSVSOJDOQZ-VCHYOVAHSA-N	546.248	7.198	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OC(=O)c1ccccc1	408888056	WEQYBBFTAQZVCI-CXUHLZMHSA-N	512.305	5.675	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408889739	GOIDONRSWQJBNV-LICLKQGHSA-N	580.693	7.933	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1cc(C)cc(C)c1	408900612	WUDQFMMRYLBQJQ-WSDLNYQXSA-N	552.412	6.350	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408905114	TWJIZIWDDXWINX-ZRGSRPPYSA-N	616.324	5.205	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(I)cc1	408945158	KHSZKRXXIAZNLI-MUUNZHRXSA-N	763.452	5.518	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408956702	ZLQIDKFMFMGITF-MUXKCCDJSA-N	536.382	5.294	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408965815	MHNMLJGVPZCQJB-KVSWJAHQSA-N	585.342	5.033	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1	408969882	WFNRSXKXWBWDLQ-SKLCVJKWSA-N	644.994	6.449	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408999384	CQALMRRVADTBAJ-PNEXRJAKSA-N	610.925	7.246	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	409000358	VVEBDKTVXDPYAJ-FUGGPRTCSA-N	633.511	5.638	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1	409002575	VEXVFIGWGWHGBV-UHFFFAOYSA-N	530.097	6.731	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccc2ccccc2c1	409009086	VLRIAAFRCKVODC-KPGMTVGESA-N	669.313	7.695	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	409011970	GWTCYUNBHVFYKE-KXACJBKOSA-N	524.665	5.366	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	409022599	CERHKXLZOQAPRB-YNFMAFFXSA-N	606.247	6.254	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1	409022946	IRTXNSICTQYBRF-YNFMAFFXSA-N	650.698	6.363	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409041741	JLVLWVJENCUZAU-SAEPALGJSA-N	623.565	9.357	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409064302	CMZULTCTSYQCTP-PCLIKHOPSA-N	511.578	6.464	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	409075695	TZMZUADKGLGDNV-VXLYETTFSA-N	636.364	6.532	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)cc2c1	409187043	LHNIKXLDSCINLU-FDVSRXAVSA-N	629.407	6.086	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc5ccccc5c4)c(I)c3)cc2c1	409187793	UJMFTAZOGYSPOV-ZMGVVAQMSA-N	669.313	7.695	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1OCC	409220118	ULOKIBJNCDYJBG-FOCQUZQLSA-N	690.978	7.535	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2cccc(C(F)(F)F)c2)cc1	409223192	FTRRCULBZUVCJS-HQDYHJHZSA-N	590.514	5.778	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409227505	YZZWEZQVWJQUAB-MHWRWJLKSA-N	578.772	6.684	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1	409228006	ZCOCBOSFYSAWEQ-UHFFFAOYSA-N	704.202	8.062	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)cc1C	409262631	IKWOKDNKWOEVKB-NVJOKUIPSA-N	638.154	6.372	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)c1	409267442	UULWCYLKPFIAPD-ODQASSKESA-N	665.002	8.604	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OC)ccc1OCc1ccccc1	409312086	JVZQNZQBCVGTFU-ZMFRSBBQSA-N	548.231	5.572	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)ccc1OC	409320730	COAYQAIVWSMQBL-MUXKCCDJSA-N	639.284	5.813	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1	409331712	HOWLIWOUKOYKJE-HMAPJEAMSA-N	518.838	8.298	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1OCC	409335954	QMROLTMVXWINKS-UHBFCERESA-N	604.416	5.745	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c1	409368771	LKZFALYLUUKYJT-IPBVOBEMSA-N	708.121	6.504	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1c(O)ccc2ccccc12	409371339	HODLVZYKUYNPPU-CPDSRJINSA-N	621.340	5.956	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1ccccc1F	409371796	OODIJVWPQOZPOW-SXGWCWSVSA-N	613.062	7.598	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCC(=O)Nc1ccccc1	409373772	UZBUMLYEFCDHNV-KBVAKVRCSA-N	576.447	5.791	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)ccc4OCC(=O)Nc4ccccc4F)cc3)cs2)cc1	409382267	MKOOTCBPJWAOFT-QMRORBIVSA-N	658.553	7.545	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)cc1	409394613	CUANTNFJTISWJU-UHFFFAOYSA-N	655.763	8.849	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409394804	GBZNONXYTCWYAQ-UHFFFAOYSA-N	640.843	8.253	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccco1	409394860	GUSJQUCMGGQBDK-UHFFFAOYSA-N	597.252	7.480	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)cc1OCC	409395392	NCPOLXIARZBKDJ-UHFFFAOYSA-N	669.576	7.444	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)[nH]c12	409395975	UTBZCAANMVYVHQ-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409396759	AVWFJYGFPNLAFP-UHFFFAOYSA-N	696.971	8.203	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409397837	ONOJFBJSZXGNBI-UHFFFAOYSA-N	558.594	6.097	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409398502	UAYWZTQFZIHHCN-UHFFFAOYSA-N	580.084	7.795	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409403249	MHVXKCRCEFPOAE-CAQPMQTCSA-N	592.490	6.756	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1	409403900	OKNQOGOLLBGMCC-AEUUOICLSA-N	673.520	7.288	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409404752	QWSMEKBEIZNWOU-NMQPEJGJSA-N	655.489	5.965	50	40	KKGB	
Cc1ccccc1NC(=O)Cn1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409405696	URMFDVDYWBESJK-CLHYIUPASA-N	599.691	6.932	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1	1529546326	FCSSSEGGBAPTJQ-GOLUFGCVSA-N	773.606	5.062	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	1529547661	NTWZWIALKZCJEJ-AHKFIOAWSA-N	860.512	6.513	50	40	KKGB	
CCCN1C(=O)/C(=N/NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(OC)ccc21	3283007	IAJTYGQSOJDVGV-GKPLWNPISA-N	543.421	5.564	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196235	LERRKPXGQGENKJ-HIUVJMHLSA-N	681.990	7.338	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1ccc(Cl)cc1	8875128	XYNFGKLVMXFPFC-AMVVHIIESA-N	510.377	5.658	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCc2ccccc2Cl)N1	9369655	XHKLVYNIFSGBPH-VWLOTQADSA-N	506.458	7.261	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@@H]1c1ccco1	20136783	XQIOGJYFSISKNU-RUZDIDTESA-N	513.619	5.665	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(C)C)cc3)cc2)S(C)(=O)=O)cc1C	20232537	ZZYYRWFRJOIWBZ-STBIYBPSSA-N	507.656	5.068	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2[N+](=O)[O-])cc1	58993041	ZOFZZBQTKDFTCG-NMWGTECJSA-N	533.584	8.023	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@@H]1c1ccco1	97950476	UDHURXYSUHYDSH-HHHXNRCGSA-N	528.634	5.612	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1	97965754	XATVOJXYPWBABT-VQWGYEAZSA-N	609.557	8.912	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2I)cc1C	98001709	QSEPFDZGMFGOOG-KVSWJAHQSA-N	686.138	6.181	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccc(F)cc12	98007207	LJAIRVWDKFMYDH-AREMUKBSSA-N	598.607	5.399	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccccc1F)c1ccccc12	98008200	KOMKYWIKBVPXJG-XIFFEERXSA-N	620.482	6.489	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100033199	BASXSEJLSPNZJS-IGPZKQPZSA-N	546.283	6.037	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	100240648	HMKMHACLQJRECD-NDZAJKAJSA-N	572.083	5.048	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303091	MHJMXJQBODJYIU-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(OCc4ccccc4)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852083	MTUYULWYLPENNU-SEBMTOOBSA-N	635.790	7.070	50	40	KKGB	
CC(=O)N/C(=C(\S)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102109211	UUIZBKDBTGTOSI-DQSJHHFOSA-O	521.067	6.619	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	102808764	ALAQBSLFNRZCFG-MUUNZHRXSA-N	557.119	6.972	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	105475582	HDKZIXJXYSJLEH-UVHMKAGCSA-N	533.806	5.471	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	112264743	LRYGXPDETAZGJU-MZJWZYIUSA-N	573.387	5.097	50	40	KKGB	
ClCCN(CCCl)Cc1cc(CN(CCCl)CCCl)c(CN(CCCl)CCCl)cc1CN(CCCl)CCCl	150368017	ZHFJLEXNJNXYRM-UHFFFAOYSA-N	694.274	6.805	50	40	KKGB	
C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	170151595	USBJDBWAPKNPCK-MOUTVQLLSA-N	615.270	7.570	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408530201	LNZHIEGZGJIYLV-PNQUVVCRSA-N	585.218	6.372	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543395	QUTNWZLTJDIINE-NVMPUMLXSA-N	536.632	5.455	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1	408582984	QKBVCPLPTPLKTJ-LDADJPATSA-N	547.370	5.140	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2	408605576	MHKGVARNPANMMZ-BRJLIKDPSA-N	524.665	6.106	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1	408608754	PPGPXOFHHJNVOF-INIZCTEOSA-N	500.382	5.077	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc(I)cc1	408711928	QYEUNFCOFHGHNF-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccccc1	408731396	MCIWTJZUCSYCOP-GNUBZPRISA-N	576.450	5.416	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(OC)c3)c2-c2ccccc2)cc1	408739426	BUMBJQZWTMPVKG-QCFMCPCVSA-N	543.623	6.761	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1	408744665	MMBPKPNCUNNEET-JAIQZWGSSA-N	581.264	6.607	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)c1	408745360	MFKZBHVCDAERER-ODLFYWEKSA-N	633.280	6.586	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCC#N	408753107	LKVJOTKDRRCANW-ZSOIEALJSA-N	505.166	5.058	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccccc1I	408758463	KKFWJROHDPNLSY-JWGURIENSA-N	530.365	6.569	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cccc2ccccc12	408760965	BGEIYJHQLDICDR-JAIQZWGSSA-N	629.281	7.884	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)ccc1OCc1c(Cl)cccc1Cl	408784065	QZHDBDHLXSCZQE-PGMHBOJBSA-N	538.475	7.363	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cccc(C)c1	408787726	FJYAFSGFADNWCP-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	408796178	DUGRAKDLDKQDNW-VEJKBTLKSA-N	522.237	5.621	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(I)cc1	408814269	SJZNZAQPQSSBOP-WKIKZPBSSA-N	605.226	6.151	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408823079	CJFJENAWENFSRA-OEAKJJBVSA-N	648.897	7.723	50	40	KKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408823327	NUCMDTHWQKSYKS-XDHOZWIPSA-N	515.824	7.560	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408831278	PCGARIYOQWCSEG-PLRJNAJWSA-N	620.127	5.607	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408831864	VSSYMCKRYOJIRZ-FMFFXOCNSA-N	608.116	5.672	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)c3c(C)nc4cc(C)ccn34)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408832803	RKJFREKCUICIHH-CAQPMQTCSA-N	569.687	5.316	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839112	NEDCAAKMTUKFQH-MHDJOFBISA-N	618.502	8.112	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)cc3)cs2)cc1	408839375	RHXVQKFERVSVQL-KCSSXMTESA-N	563.639	7.113	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408841735	KIZZKAACJPCFEB-VTNSRFBWSA-N	583.085	5.549	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)n1-c1ccc(I)cc1	408849147	YAGYLGOEFOBVAD-IPBVOBEMSA-N	656.333	6.210	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408851242	WRYQVKPKZUENLR-HMAPJEAMSA-N	527.455	7.052	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccccc1Cl	408852080	HWSLADOGLZZFQV-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1	408876291	NRVKPKCGSKNMQH-LDADJPATSA-N	530.647	7.001	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OC(=O)c1ccc(C)cc1	408880254	GYCQEYMXTGKSJF-JFLMPSFJSA-N	511.372	5.148	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl	408886795	MCUXEDCBALUAOB-OVCLIPMQSA-N	506.172	7.065	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408887475	OSNJNJVKVCCBAG-GIDUJCDVSA-N	611.663	7.451	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2cccc3ccccc23)cc1	408892028	XKLWKGVLTCDVBB-XIEYBQDHSA-N	506.558	6.150	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2OC)cc1	408892665	DIRFCZMNWWGWNO-LICLKQGHSA-N	680.236	5.678	50	40	KKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	408908723	CWDZWZDVCMTKSR-OQIQZUQJSA-N	511.416	5.021	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OCc1ccc(F)cc1	408925538	UOWOQIAUDHIUJU-RPPGKUMJSA-N	630.195	5.386	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408967614	RGMQHXFKHVTJQR-VPUKRXIYSA-N	506.748	6.009	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	408971464	OVCACVPJXALVJI-VHNYRUABSA-N	624.952	6.871	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl	408974372	YKVMUIKPPAKTMD-ZIWBGFMGSA-N	553.273	5.945	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1Br	408980493	RJLLGMSYXQPHSR-ZCGOLBPFSA-N	635.378	5.645	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1cccc2ccccc12	408980642	RXCQUSVKUNDPEA-NNFGGYLISA-N	571.677	6.829	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	408985244	VZELIGREQJBEHW-MTJSOVHGSA-N	600.738	8.027	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408988559	RGQYEVNRRCGRPZ-APSNUPSMSA-N	629.563	8.605	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	408992519	SGAQURBGZNTSQA-XSFVSMFZSA-N	612.092	7.807	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	409003726	ULCPWRHIEJWSQU-OCSSWDANSA-N	587.386	5.593	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	409011317	HBZMYOZEUUQIQE-WQPSUOTESA-N	734.161	7.220	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)Cc2ccc(Cl)cc2Cl)cc1	409072757	SIMNNDVNRRSWRF-DPNNOFEESA-N	596.536	6.222	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	409162999	KLOPXSJUOBCHSR-VVEOGCPPSA-N	557.434	5.034	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	409185567	MPMRXZTUWNXTTJ-ODNPBWNPSA-N	699.067	7.468	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409217695	AAYSGZOGZXKQOA-UHFFFAOYSA-N	735.172	7.662	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccccc2)c1	409219885	RHJHVCANWJPNDB-UHFFFAOYSA-N	532.350	5.278	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cccc(C(F)(F)F)c2)cc1	409222351	CJOBFCHFMYWIKO-AQLQTECXSA-N	531.918	5.936	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1C#N	409251415	QDSCDRYZNFEXEA-OMMIQNFISA-N	516.395	5.693	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409269624	KVFZWAQNIQPJJV-YDZHTSKRSA-N	532.040	6.536	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	409361514	CXDMNILSHDOVQE-UYRXBGFRSA-N	505.315	6.267	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(I)cc1	409371717	GNCZMXXONYWTIR-ZMFRSBBQSA-N	671.229	5.084	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCC(=O)Nc1ccccc1	409374604	UTJYJWCWOPMSOH-UNOMPAQXSA-N	578.410	5.956	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1F	409378183	NDGFBYBJRIQKSN-AEUUOICLSA-N	609.683	6.791	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(Cl)cc1	409384505	CYMZNSPSYPAXCJ-KKMKTNMSSA-N	574.840	6.577	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)cc1	409394459	ARXXYFLJQHPMDN-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409396347	XWHAUCUGEBJNHW-UHFFFAOYSA-N	685.745	8.269	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(Br)cc1Br	409404205	PILHHBJAVXJXOQ-FRKGHFGRSA-N	847.342	9.137	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1O	409405739	VACSGYPOGFBTAS-FDVSRXAVSA-N	599.425	5.739	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)Nc1ccc(C)cc1	409406953	YGELHYJRSIZKPC-PQKVGRGHSA-N	646.744	7.093	50	40	KKGB	
CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409407366	ZMXBEWBVZZKHRP-MNDYBZJGSA-N	570.871	6.845	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1	1790762	ROCFEKBJOUIQPN-JSIHEXFSSA-N	556.844	6.307	50	40	KKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1	2553471	OYVLLIIWZGDLQX-LZYBPNLTSA-N	504.826	6.805	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)c(OC)c1OC	2591629	IBWKWALNUZFTLI-WKULSOCRSA-N	552.056	5.164	50	40	KKGB	
O=C(N/N=C/c1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1cccc(Br)c1	3081597	ICBXOKZXZYARLR-JFLMPSFJSA-N	518.323	5.494	50	40	KKGB	
N=C(CSSCC(=N)NCCCCCSC12CC3CC(CC(C3)C1)C2)NCCCCCSC12CC3CC(CC(C3)C1)C2	5217804	OKRVHMGGALTHCH-UHFFFAOYSA-N	651.134	9.246	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccccc2)N1	6015264	YQGGXRRXXUFFGA-AREMUKBSSA-N	534.468	6.944	50	40	KKGB	
Cc1cccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)c1	12251092	GDDDWKPUKJXUPH-RUZDIDTESA-N	502.039	6.447	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccccc2)cc1	13661219	DVLOEBYJHOSBNV-DGHLUIFDSA-N	511.647	5.097	50	40	KKGB	
CC/C(=C(/CC)c1ccc(O[P@@](=O)(Cl)N(CCCl)CCCl)cc1)c1ccc(O[P@](=O)(Cl)N(CCCl)CCCl)cc1	49882026	ANUQECSMIFBKSJ-VOMSNXTASA-N	713.234	10.428	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)c1	58915014	LDLOKVGGDBMMNT-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
FC(F)(F)c1cccc(-c2cccc(C(F)(F)F)c2P(c2ccccc2)c2ccccc2)c1P(c1ccccc1)c1ccccc1	95612006	FKDRPXOQWVCQKC-UHFFFAOYSA-N	658.562	8.908	50	40	KKGB	
N#CN1C[C@@H](CI)[C@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1	95707816	WQEMREJSEOLXRY-RNFRBKRXSA-N	568.115	5.579	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F	100081401	FHYAOSVFLRXJGD-BIZUNTBRSA-N	546.668	5.702	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125459	AAMZXHPRIPIOOK-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C\c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1	100430786	OUUBUUGHAIXKGW-NVMPUMLXSA-N	543.652	6.448	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)c1nc2ccccc2c(=O)[nH]1	100920151	ODKILIYHCBIRIH-JJIBRWJFSA-N	539.570	6.558	50	40	KKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1	100956778	VQISTNWAYBRWSF-LLDNVPTHSA-N	530.093	7.056	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1	102571652	RXYVYSACHBNDFE-VWLOTQADSA-N	520.098	7.488	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(COc3ccc(F)cc3F)c2)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1	102571756	FFIQLZGBFWDJHP-NKPAUYHWSA-N	612.102	6.331	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2Cl)N1	102808757	FWPIYKRTNAKYLF-SANMLTNESA-N	583.928	7.353	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103889725	AXPKIBBAOAFZCD-MOSHPQCFSA-N	599.255	7.876	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1	103889999	HCIINXORJDNUII-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Br)cc1	104953932	LDEAABFZMTWPBV-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H](Br)[C@H](Br)[C@@]21C	123289688	PHKGSDJTFGIGIZ-IYUJAXPGSA-N	590.437	6.913	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CC[C@@H](I)CC(F)(F)C(F)(F)F	169795267	IAHCIAMYHXGSCW-OLQVQODUSA-N	573.978	6.549	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539519	IEJQJDKTXLYDBR-MYYYXRDXSA-N	555.030	7.061	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC	408539600	ILXSNGWQCZWRCH-ONUIUJJFSA-N	520.424	6.259	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408554649	SNENQWUHHOQIDS-YVLHZVERSA-N	603.256	6.106	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408642212	DSUVSUMIOUKCLQ-UNQVOBTMSA-N	673.185	5.409	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1ccc(C#N)cc1	408710802	LITIZGRQNXLMPJ-IPPBACCNSA-N	542.817	5.724	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408748665	BPUACFHDUVZSGV-MNBJERMJSA-N	641.303	6.019	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CSCc5ccccc5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751400	MIFHEHUVDXQUPF-BWUBYPRSSA-N	573.762	8.109	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(C)cc1	408761171	BZLNBCRNDBSTJZ-GRSHGNNSSA-N	556.254	6.653	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccc(C)cc1	408772815	FXUCWYSZLAZVGN-FMFFXOCNSA-N	551.668	5.964	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408788071	ARXJQJNXCFFPSV-OEAKJJBVSA-N	655.319	8.302	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2)c1Cl	408820196	ULTXLDLTYMUMLK-GXDHUFHOSA-N	563.235	7.123	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCc1cccc([N+](=O)[O-])c1	408823657	OFWARLBHZVNNIX-VXLYETTFSA-N	537.956	5.789	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)cc2)cc1	408832694	IHEOGZBYFGILAR-ZVHZXABRSA-N	577.895	8.659	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408838496	FTPRYXPXFMARJN-FABQOPTDSA-N	628.110	7.857	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408839638	UXAGEXHLGWTLSU-YLYVUXRMSA-N	686.448	9.909	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408849073	XVTWHRXEMQVHFI-OKCVXOCRSA-N	622.488	6.251	50	40	KKGB	
COc1cc(OC)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408851220	AHYGTEPHVSNCSJ-RHANQZHGSA-N	518.411	5.996	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)o2)cc1	408853920	ZWGQEDVMHPLQLC-JWGURIENSA-N	564.038	6.317	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408860824	FYECWBMNBQUGKP-FMFFXOCNSA-N	595.508	5.981	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	408861738	CMSBOZSHBZPNSW-FMFFXOCNSA-N	571.699	5.545	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@@]43C)c3ccccc32)cc1	408874949	GMHIAELTRWWPKF-NXKNOQKLSA-N	543.667	5.474	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408875840	LUEQWHWXWYQRMJ-KCSSXMTESA-N	595.121	5.419	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1cc(Br)ccc1O	408875927	HXHVJSNYTAEHPZ-SMJXFFILSA-N	671.345	5.884	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1	408882076	PDNRDEKRZHQPIK-BCHBDCPOSA-N	589.644	6.603	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OC(=O)c1ccc(OC)cc1	408885066	WYGSZEGVQKDEJI-WOJGMQOQSA-N	596.390	5.538	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccccc1	408886206	FGFQYDRYVHRUFF-CAOOACKPSA-N	638.245	7.030	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OCc1ccc(Br)cc1	408887856	UKVFYLXKHXJTAE-LGJNPRDNSA-N	542.480	5.889	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Br)cc1	408892647	DGAAVIGUDSRDAU-WOJGMQOQSA-N	545.842	6.033	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1	408893788	HQJZAEVXNCEGAB-VCHYOVAHSA-N	538.354	5.499	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1	408913554	VLMDZNYOSFREOX-FMFFXOCNSA-N	649.485	5.094	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1OCc1ccc(Cl)cc1Cl	408923536	JJGSWPWSPSZQPF-MWBNBJEGSA-N	585.572	7.965	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)c1OCc1ccc(Br)cc1	408925307	QYJJLFJPTNMDEP-CPNJWEJPSA-N	511.803	6.544	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C)cc2)c(I)c1	408953838	YIUZVOZOMYUCSN-MUUNZHRXSA-N	824.479	5.668	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(C)c2)c(OCC)c1	408954167	YQORNZABBJQTBO-SSEXGKCCSA-N	651.185	5.511	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408964478	HDQWMNDHUKXDPK-LUOAPIJWSA-N	546.736	6.239	50	40	KKGB	
CCCCCOc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408971963	MYJPOWMMUZSPBG-XJQADQMNSA-N	566.526	6.020	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409030992	GCPJWPFVZIBJJS-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	409044416	BYXXULGNKPHXSX-RGVLZGJSSA-N	518.356	7.179	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1nc2ccccc2o1	409048536	RRDLAHAJALEVHO-UDWIEESQSA-N	560.245	8.149	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccccc1	409048883	ULLQIXYKIJGMHE-LICLKQGHSA-N	540.801	5.674	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409138968	KOHGDKKRIPXKAQ-RUZDIDTESA-N	537.016	5.210	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)C2=C1CC(C)(C)CC2=O	409141458	HZRQIIPFQDLCCL-RUZDIDTESA-N	652.360	6.560	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409157896	WTHJBMHHVLGFON-HIWRWHBISA-N	683.330	5.089	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409184547	LTOSDNOURNREFR-LJUMEUDFSA-N	594.303	6.987	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)c2C)cc1	409186360	AWFGNNHUFKJFFE-BRJLIKDPSA-N	535.236	5.487	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409217494	CNEMALYCVWERID-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccccc2)c1	409220448	ZTZFLFXMNZIILQ-UHFFFAOYSA-N	685.756	7.109	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409220469	ACLWRQUNERLENT-MFOYZWKCSA-N	576.325	6.509	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409222907	DQXRWYMGYGEVRB-UHFFFAOYSA-N	724.620	8.407	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1	409224961	OKWGVFICFUUXNY-MEWGGAFXSA-N	548.555	5.538	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409226360	NCYPHZXHNIABBJ-NVMNQCDNSA-N	545.311	6.291	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1	409234129	MCCWCFOGWLFREB-VFOSSOBBSA-N	505.412	6.130	50	40	KKGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C2C#N)cc1Cl	409315558	JEAZOAGBYKSIEG-CYBMUJFWSA-N	530.355	5.731	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OC	409316016	XDCIYBQLVZYZKT-FDVSRXAVSA-N	618.424	5.138	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1OCC	409321685	UTTVODGBRVGPIE-LJUMEUDFSA-N	526.992	6.184	50	40	KKGB	
CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC	409330465	AOTJNYMGMAXBTK-RHANQZHGSA-N	541.442	5.988	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409366277	ZOWISWVCWOICKN-NTFVMDSBSA-N	540.414	5.590	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Br)cc1	409371807	OWTVPMRLGCYNFF-GRSHGNNSSA-N	605.226	7.004	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1	409372051	RFUOOYJQSZFZMF-NVMNQCDNSA-N	544.199	6.772	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409373565	QNPIGEZOXKOGII-BCHBDCPOSA-N	616.093	6.698	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCc1ccc(Br)cc1	409383876	MYZAMEACSFWTTG-YBFXNURJSA-N	649.373	8.298	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1I	409390900	GERISDPMDCFTTB-RDRPBHBLSA-N	533.413	5.981	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394567	CFWAGZVWJABWKG-UHFFFAOYSA-N	573.392	7.033	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)cc1	409395500	OINSDXMTGNTIDM-UHFFFAOYSA-N	633.873	7.384	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OCC)c(OCC)c4)c(OCC)c3)c(-c3ccccc3)c2c1	409396139	CSQDEOPDSXCPRA-UHFFFAOYSA-N	635.717	7.413	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397164	GZPWFMFGZYZKKA-UHFFFAOYSA-N	545.639	7.142	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cc(C)cc4c3-c3ccccc3)cc2OC)c1	409397866	OWLRMDSMOSYBOO-UHFFFAOYSA-N	547.611	6.452	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)o2)cc1	409400203	CAHLQLISDBNMRP-RODHXAHZSA-N	667.387	8.678	50	40	KKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409406056	VWZWGKTZLLFUBD-KRTSHMNHSA-N	530.581	6.116	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCC(=O)N3CCOCC3)o2)cc1	409407758	HIOLXCPSNOXANZ-DLCNMLRHSA-N	669.960	5.684	50	40	KKGB	
C[C@H](CCC(=O)N/N=C/c1ccc(F)cc1)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	2033240066	LYGIRJHOSGMNLO-LPKIODDDSA-N	512.710	5.683	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)cc1	2214814	LHOGWDWDAZIPRF-ZCTHSVRISA-N	520.614	5.304	50	40	KKGB	
COc1cc([C@@H]2CC(=O)NC(SCc3cccc4ccccc34)=C2C#N)ccc1OCc1ccccc1	2294358	PLSOBVGSVZXNCD-SANMLTNESA-N	506.627	6.699	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Br)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2605502	FRXABMYSTLTJAA-OCSSWDANSA-N	578.536	6.245	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)S(=O)(=O)c1ccc(Cl)cc1	2645316	ITVKXOZFQOALLV-OEAKJJBVSA-N	513.962	5.637	50	40	KKGB	
COc1cccc([C@@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CC(C)(C)C3)c1OC	3669590	KPWWRSHOXPVWIR-HSZRJFAPSA-N	528.678	5.735	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1OCC	8384192	PHWJSGKSPJZOIZ-RDRPBHBLSA-N	544.073	5.258	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	8426396	VPRSOPJUGOXLRT-WYHVTCEASA-N	654.413	9.280	50	40	KKGB	
O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)CC1)c1ccc(Cl)cc1Cl	8450220	QYYBFLDRMWTSJU-DJEKQEBSSA-N	636.164	5.056	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Cl)cc1	8456187	UXYHRWAKRKZOAQ-GDLZYMKVSA-N	619.505	7.430	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(SC)cc1	8809594	BZNQZNVSGFGUKX-QFIPXVFZSA-N	506.653	5.018	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1	8812899	NKXHAKHPWDHGKK-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1OCCOc1cc(C)ccc1C(C)C	8838208	UWKSJBWIONVBND-JFLMPSFJSA-N	528.700	5.377	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccccc3Cl)n2-c2ccc(C)cc2)cc1	9019686	STHCZMDHKVNQQG-VEILYXNESA-N	506.031	5.537	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	13055503	KTLDGRMNGIVNHA-SANMLTNESA-N	514.607	5.385	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc([N+](=O)[O-])cc1	13617303	OJFYKNIDIPFJDR-BUVRLJJBSA-N	509.638	5.524	50	40	KKGB	
COc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C(\C)c3ccc(C)cc3)n2-c2ccccc2)cc1	13882069	UTHMXDZPSZZEKO-JZBVQRJASA-N	514.655	5.217	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	59335679	TZHHXVKFWCDOPO-HMAPJEAMSA-N	521.842	7.264	50	40	KKGB	
CCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	59474764	TXKFAPPFBSGKMP-VULFUBBASA-N	504.593	5.481	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C\c2ccc(OC(C)C)cc2)cc1	97944345	RJBGYHGTIGYYNO-UCMJSZAQSA-N	576.118	6.595	50	40	KKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)c4ccc(OC)c(OC)c4)c3)c3cc(C)ccc3n2)cc1	97965840	DZXITZYXDGTNFT-JRZNSJKLSA-N	602.691	7.032	50	40	KKGB	
O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc(COc2ccccc2-c2ccccc2)cc1	97980848	LWOHLHGICDLHFE-QCFMCPCVSA-N	574.706	6.657	50	40	KKGB	
C[C@@H]1Cc2ccccc2N1P(=Nc1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccc(Br)cc1	97983123	PTKXUVMDAHITOM-LJQANCHMSA-N	645.173	8.824	50	40	KKGB	
O=C1c2ccccc2O[P@](=O)(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1c1ccccc1	98007317	CROGZCUQLPKTDT-KXQOOQHDSA-N	534.492	7.012	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1	100130078	ZVYRDBPJHFXTQJ-MZFJOGFUSA-N	627.992	5.894	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)Nc1ccccc1Cl	100405868	TWVGRAGQROVJCS-PNQUVVCRSA-N	553.324	5.119	50	40	KKGB	
CCCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	100557595	HBXJPCOGFXIIIE-AOWGFEFVSA-N	541.280	5.235	50	40	KKGB	
CCCCCCCCCCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)OCC)cc2)o1	100668331	YTGGDKPURAQLRO-XLVZBRSZSA-N	535.725	9.055	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(Br)cc1	100852647	VQEAQCITUDPQOA-MWLSYYOVSA-N	567.534	5.721	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1	100903787	GCUZYDFIIDHKHT-BMRADRMJSA-N	531.366	5.194	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(I)c1OCc1ccc(F)cc1	102933023	KORCZBHKNCBTHU-LICLKQGHSA-N	596.318	6.582	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	103795802	SURSAWBNXYULBT-FOKLQQMPSA-N	555.166	5.137	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C(=O)O)cc1	103889901	HVGGKLCLUQKASF-MFOYZWKCSA-N	576.230	6.587	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	103902625	WUHJIGPRICVAEK-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)OCCCCCC)c1ccc(N(CCCl)CCCl)cc1	104138040	DUGYAKYCSBLOOI-PGUFJCEWSA-N	655.836	10.903	50	40	KKGB	
CC[C@H](Cl)COP(=O)(OC[C@H](Cl)CC)C(C(C)C)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161355	IZHBVGQTGCJVOX-BFRUVIAXSA-N	580.294	8.491	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCc1ccccc1Cl	104401997	YCACJJBMWINRJX-UVHMKAGCSA-N	613.677	6.449	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)cc1Cl	105227082	BRNBQHXYXHXZBE-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342312	YLVXGUNGKZSSIL-UWTATZPHSA-N	892.044	10.928	50	40	KKGB	
CSC(=S)O[C@@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C	195506613	KRWSBTMVAZGCMH-GUDVDZBRSA-N	559.790	5.421	50	40	KKGB	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O	196727748	XOHRAGVYVNTJQV-PMFUCWTESA-N	600.788	5.194	50	40	KKGB	in-vitro
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Cl)cc1)N2	229978008	VXGPQPGYHSWFFF-MZGZKICPSA-N	513.446	7.489	50	40	KKGB	
CCOc1ccc([C@@H]2[C@H](C(=C(C#N)C#N)C3CC3)[C@H]3c4ccccc4C=CN3[C@H]2C(=O)c2ccccc2)c(OCC)c1	239433035	XCYIDOKEMFZAQO-AOJHZZQJSA-N	555.678	7.230	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2OCC)ccc1OCc1ccccc1	408538759	QICJVQVSYSBCHT-PKAZHMFMSA-N	613.110	7.850	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2OCC)ccc1OCc1ccccc1	408539058	FAAKYPKGDSGGGA-FZKWRIDDSA-N	604.059	6.968	50	40	KKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	408539509	WSYJGWPIVSDZJX-GTWSWNCMSA-N	528.678	7.285	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(OCC)c2)cc1	408540706	VGZCDFZUMTZSON-LRIZEKIPSA-N	659.621	8.511	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(I)c1)c1ccc2ccccc2c1	408552810	VPWBWJMQBQZELJ-IDUWFGFVSA-N	534.147	5.734	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1cccc(F)c1	408567513	FKVJQVVGXBDQOE-IPPBACCNSA-N	547.073	6.074	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408581799	ZKYBIWXIFJWNAO-VGOFMYFVSA-N	626.190	7.670	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC	408582739	PSRZVCUCRCVNMH-VXLYETTFSA-N	572.355	5.868	50	40	KKGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1	408608093	VBRLDMQUQRKKTN-FQEVSTJZSA-N	502.427	5.507	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3c(Cl)cccc3Cl)CC2=O)cc1	408610895	UZJUTPHLZBCVMF-MRXNPFEDSA-N	548.854	6.121	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1	408659716	PEANUTJZJYEOGU-JUZVMKTGSA-N	679.383	7.475	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1	408724628	GIAHTCBWJHAQJH-UNOMPAQXSA-N	540.357	5.433	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408733501	YPFZYFFWXFMLHO-MNDYBZJGSA-N	539.573	5.258	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)Nc1ccccc1	408741416	ISIVBHCPOKIVCY-LHLOQNFPSA-N	544.452	8.119	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccccc1	408741812	LICOAGVSZFIXJJ-WQRHYEAKSA-N	525.302	5.324	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)NCc1ccccc1	408746195	CBXUMIQQYBETIQ-GRSHGNNSSA-N	607.673	6.509	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)cc1	408746862	WWOZABNEXXWDJD-NDENLUEZSA-N	507.384	5.899	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(I)c2)c1	408747074	YZJJWNCGCQENKX-UNOMPAQXSA-N	558.803	6.468	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1	408748455	AMHJOWMUCRVFPG-XICOUIIWSA-N	551.042	6.467	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408755913	NTWXCERUPWRXTD-GRSHGNNSSA-N	621.156	8.372	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1cccc(I)c1	408760093	RLWAZBZLISQPBG-ZMOGYAJESA-N	549.162	5.037	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408760247	VJPCUEJSCVVLMU-PXNMLYILSA-N	609.087	7.238	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1cccc(Br)c1	408760688	DDOVOIYUZAMHJW-YVLHZVERSA-N	525.233	7.305	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccc(Br)cc1	408766726	FNUVMSUCEWUUFT-BKUYFWCQSA-N	521.411	6.370	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408784712	WOIQTSIUXDPABR-UHFFFAOYSA-N	586.120	7.639	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	408786231	HKGWAJOOICWONL-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1cccc2ccccc12	408787844	GXOWPZVJKCXQRV-MTDXEUNCSA-N	666.515	8.157	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC	408790238	OCZZADFGSHVGNH-LZYBPNLTSA-N	521.795	5.297	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408795794	MPSXWYOIOVWPEF-FRKPEAEDSA-N	662.138	8.428	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408799002	XQQKTPRQNDBJHA-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1cccc(Cl)c1	408800961	QMARPGHNDFNPFX-VCHYOVAHSA-N	544.776	6.078	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408806145	AAAMOHISMIURAP-SGFZWYBVSA-N	613.714	7.621	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccccc1	408830011	NMMZEGJRJUMPGA-BUVRLJJBSA-N	559.449	7.706	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	408833150	VVFKBNNVSCFPRL-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccccc1	408833668	UKWJFPWQWFFLMO-ZVHZXABRSA-N	699.372	8.700	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)cc1Cl	408834138	ULWYDOQWGRGBPT-SRZZPIQSSA-N	563.437	7.297	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Br)cc5)c(Cl)c4)cc3)cs2)cc1	408837885	ALLRVVKSNQFDMW-KVAAJVFYSA-N	631.983	8.621	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc(OC)c1OC	408838402	FGKHNZSDWQHPRR-YLYVUXRMSA-N	757.446	8.232	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408842004	HRXWWAVJZAPWBF-KULFSUQXSA-N	661.567	8.300	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1	408842330	JBCFPQLXOMJTTN-XJECJHNESA-N	676.976	7.870	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408842915	KLXLOJCHMKDKLX-AABVJFSESA-N	667.368	8.206	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1ccc(OC)cc1	408843483	NDYFOLFKVHHFEA-FMFFXOCNSA-N	551.599	5.638	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(I)c2)cc1	408844994	JJZAIFGTTGWLPX-OJYCWLPVSA-N	645.928	8.054	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1	408846223	XWUPGDFOHQPXNS-XAZZYMPDSA-N	554.550	5.876	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC	408851662	LVOWEYRKWRTPRF-MSXFZWOLSA-N	520.177	5.132	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(C)c1OCc1ccc(Br)cc1	408853310	QZGACLKTWMNOKW-KBVAKVRCSA-N	530.466	6.816	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408866176	GGYYCVXGMFZXIG-VCHYOVAHSA-N	519.748	7.258	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408874251	ZOLKWKHOIIQILI-RGVLZGJSSA-N	529.851	7.733	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)c1OCc1ccccc1Cl	408886151	IKFAPZZAKUBSMK-LDADJPATSA-N	590.699	7.307	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	408888095	WTSCTUGLKRUNBO-CPNJWEJPSA-N	571.449	5.478	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OC(=O)c1cccc2ccccc12	408888791	ASUSPMCHSYSGSF-WCMJOSRZSA-N	604.482	6.604	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1cccc2ccccc12	408896517	OAGLDCWNFKGJGA-OEAKJJBVSA-N	541.991	7.233	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408896561	RZLPHERMTAAVSP-FYJGNVAPSA-N	569.477	6.086	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1c(Cl)cccc1Cl	408901017	ZHRZQJPCOPDQMK-MHWRWJLKSA-N	536.640	7.534	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1cccc2ccccc12	408905577	ZMLYXWQOCRVJLO-MNDYBZJGSA-N	644.307	7.259	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1O[C@H](C)CC	408912353	QMCHAJSVVSRTCX-YPKLGXIKSA-N	525.443	5.411	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OCc1ccccc1C	408926736	XXPVBNGGIBHLGH-UDWIEESQSA-N	572.830	6.776	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1Cl	408939721	BINDQJMZAXBGQM-HHHXNRCGSA-N	844.897	6.013	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc3ccccc3c2)c1C	408948579	PNNFKRNTHREQBX-WJOKGBTCSA-N	595.725	5.132	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408948971	RTXTWQNHJSUFRF-CPDSRJINSA-N	676.305	6.288	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1	408949489	RBZFVILISKAIRU-JGCGQSQUSA-N	673.191	5.966	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408965510	HXNXIEUPTGDZPV-VWJSQJICSA-N	526.395	6.474	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	408971463	OVCACVPJXALVJI-KOPMUBDUSA-N	624.952	6.871	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408986108	ZOVNUDMVJDFHKG-LSCVHKIXSA-N	594.720	8.241	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408990894	OULAYDDYPVLXAK-MTJSOVHGSA-N	566.839	7.172	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409002015	LOOXNCDUFDOONI-MKWJPVCQSA-N	738.431	6.226	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1O	409018419	UYYQLYHZHVTSKZ-DBESNCCHSA-N	550.483	5.275	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(C(=O)O)cc1	409066699	MAZMEJRRGXBWSR-YBFXNURJSA-N	565.367	5.908	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCc1cccc2ccccc12	409069273	IGRZDVGDMSOTGE-TURZUDJPSA-N	502.614	7.400	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1	409083262	UYNCWXFKFUAMGW-RIYZIHGNSA-N	552.292	7.267	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409111269	BWJMNFZCCJHHRI-PPOKSSTKSA-N	589.117	6.021	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	409115032	GOVGGKYKJOZJPF-QLQYKETESA-N	625.678	5.675	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2ccc3c(c2)COC3)cc1	409132687	QVBWMEFYQVEFAV-UHFFFAOYSA-N	558.226	5.533	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccccc3C#N)cc2c1	409183426	CMBBMQHUHLEJPI-FDVSRXAVSA-N	518.367	5.809	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4cccc(F)c4)c(OCC)c3)cc2c1	409188507	CKLKDIQEABWTGX-MNDYBZJGSA-N	602.400	6.317	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12	409220064	XVHMUHFGJODWFI-KUVPTRFSSA-N	591.023	5.144	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccc(C)cc1	409220346	XMOFGOJRLJBXOR-UHFFFAOYSA-N	586.044	6.291	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	409221927	BRCQVVQCAYSDBY-PYZBDMLHSA-N	583.000	5.812	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c1	409227388	ZVAFARVVLORCMQ-QFVWXVPDSA-N	593.552	5.446	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)cc1	409227648	ZWFNRZCBDGELFP-WOJGMQOQSA-N	535.354	5.229	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)[C@@H](O)c1ccccc1	409247438	CGDPTQQCCZZJLT-HTHFWCIQSA-N	597.101	5.737	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	409249178	GRSRGMTYQYICQM-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)c1	409256466	OSZUZMGRTRSUET-SRZZPIQSSA-N	597.307	6.069	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2C)cc1	409259421	ZBLZQCAANYPHON-ODLFYWEKSA-N	613.306	6.400	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409260315	OMSOPFLTYUCPMW-LPYMAVHISA-N	503.986	5.288	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409263863	CLVCVNPNXVMZLK-XKZIYDEJSA-N	562.464	6.336	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409265656	NHJHCWMDXSOXNB-VYYCAZPPSA-N	577.806	5.125	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409272791	SJVQDAXQXILTIR-CXUHLZMHSA-N	502.741	6.637	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)ccc1OCc1ccccc1	409305339	VSTHAIBGTNVZSP-KYHGBAKBSA-N	624.329	7.142	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)ccc1OCc1ccccc1	409310315	AAAZLZMDJYERQI-OHUYPAJKSA-N	549.454	7.314	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1OCC	409314086	QJQCWAIBYZGERD-UHBFCERESA-N	514.981	6.018	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1OCC	409325118	WTVIKIYGISNUMQ-MWLSYYOVSA-N	555.425	5.678	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OCC	409326459	KJAOTPNGCZNKRF-YNFMAFFXSA-N	645.175	7.659	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409336688	UCCAOBDMTGDYGF-ACXHZZMFSA-N	651.426	6.418	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409360027	CZDPFKLLPCNWSY-VFLNYLIXSA-N	551.268	6.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409365721	WOJWKGNBIWGEHD-GZTJUZNOSA-N	601.372	5.098	50	40	KKGB	
O=C(NNC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1ccc(NC(=O)c2ccccc2)cc1	409369944	HZCDGZFYWSMRRB-UIOOFZCWSA-N	731.558	5.273	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)[nH]c2c1	409374290	LNJMWMARFFYKSF-MFOYZWKCSA-N	541.218	7.179	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c(O)c1	409393722	ZJNNPCHAMZKNIG-KBKYJPHKSA-N	662.649	5.606	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)c1	409395511	ONSBXAKZLIRDGE-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409395807	RZGZQYWODLUZJV-UHFFFAOYSA-N	765.083	9.412	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1	409397374	JFBFRHUJRXSVHA-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)[nH]c12	409398913	WKIBUSKTXSDXOL-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409399203	YHTUAVAOVBLYON-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(Cl)c3)o2)cc1	409399878	ACFYMCOSRSSODP-RODHXAHZSA-N	632.500	7.614	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccccc1Cl	409406945	YFEWHOAHPRKURO-KOKCXWAISA-N	723.995	8.266	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409409675	PXICBOVLYGRTAS-KMUKQRDJSA-N	582.056	7.211	50	40	KKGB	
CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@]2(CCc4cccc(NCc5ccccn5)c42)CC3)cc(C(C)(C)C)c1	642772132	NVZSJGBGNHNBSQ-NLXJDERGSA-N	735.053	11.820	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccccc3C)n2-c2ccccc2)c1O	2098103	DWCXZFUDJKSISZ-RXXZHPLBSA-N	595.523	5.295	50	40	KKGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)nc2ccccc2c1=O	2239570	QSPCXGPGAJZEQJ-HNSNBQBZSA-N	528.637	6.243	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	2670858	MSERHQSQEVYJNN-RVDMUPIBSA-N	514.821	7.500	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)cc(OC)c1OC	8457183	NJBXXGKZLRILCC-IBBHUPRXSA-N	672.549	5.061	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)c1nc2ccccc2c(=O)[nH]1	9424164	NBXRCBVSVSKFBD-XIEYBQDHSA-N	521.580	6.419	50	40	KKGB	
O=C(/C(=C1/SS/C(=C(/C(=O)c2ccccc2)c2ccccc2)S1)c1ccccc1)c1ccccc1	16954345	WGSSHGZTWZDQDU-XDHTVYJESA-N	508.689	8.618	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1	20198069	VZLNLXHHTOGCBM-UXHLAJHPSA-N	517.423	6.734	50	40	KKGB	
COc1c(Cl)cc(C=NNC(=O)N/N=C/c2cc(Cl)c(OC)c(OC(C)C)c2)cc1OC(C)C	22632971	JUCCMOFWBGGBCE-CNLZOUSYSA-N	511.406	5.252	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2C)cc(Br)c1OCc1ccccc1	28217643	OLVVVQYCEBNAJN-MZJWZYIUSA-N	513.457	5.729	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccc(Cl)c(Cl)c1	33096973	ZAYRILUWVMCFDM-PPDIBHTLSA-N	503.842	6.287	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2OC(C)C)nc2ccccc12)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	97965859	YMJSPEBHYWUHAU-HAPYPFFUSA-N	669.609	8.948	50	40	KKGB	
C/C(=N\NC(=O)CCCN1C(=O)N(c2ccc(Cl)cc2)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C)c1ccc(Br)cc1	97966468	SSQCBFHECSRNII-MWFRGOOESA-N	690.426	7.347	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	100062905	BUKQOCDIDHMMMI-MUXKCCDJSA-N	536.253	6.426	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl	100118599	IEOXKDALDQEOQF-UXHLAJHPSA-N	535.069	5.478	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(Cl)cc2C)cc1	100122445	NHUOBZPLINCLLJ-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl	100128002	ZGPPWAUROSJAMO-WKULSOCRSA-N	543.476	5.470	50	40	KKGB	
COc1ccc(CCCc2nnc(SCC(=O)N/N=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])o2)c(C)c1	100298953	DKXYNNITALEJOM-KBVAKVRCSA-N	605.673	5.300	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/C=C\c1ccccc1[N+](=O)[O-]	100858334	LRUINMSPSRBDQX-QYKZBDJOSA-N	553.431	6.057	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1F	100859759	YZDRKSOQVUWSNX-KKMKTNMSSA-N	545.825	5.127	50	40	KKGB	
N#C/C(=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)c1nc2ccccc2s1	100942641	VWJVENAYNKSQQJ-NCELDCMTSA-N	525.637	6.575	50	40	KKGB	
Cc1nn(CCC#N)c2c1[P@@](=Nc1ccc(F)cc1)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2	102919315	KBEUFUYBTCBSDT-VXESPCHTSA-N	548.606	7.083	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=C(\C#N)c3nnc(NC(=O)c4ccccc4)s3)cc2OCC)cc1	103026939	XBMNRPJZDVEKBT-HPNDGRJYSA-N	612.752	7.670	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1	103610633	ILPSFRLNAWOZAV-WKULSOCRSA-N	550.439	5.039	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	103876901	RPIAWKXAUCIMMB-FMFFXOCNSA-N	551.488	7.387	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)cc1	104403050	SBSPYDZLIYDFRX-JFLMPSFJSA-N	523.374	5.457	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	105508901	UWKZARCDUSLNKU-WKULSOCRSA-N	550.280	6.817	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\NC(=O)Cc5c[nH]c6ccccc56)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1	118923060	CEUHHNMGEVILPT-ZTYWUKAASA-N	563.742	7.371	50	40	KKGB	
CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341348	DRWRSLLCOIBHAK-QMMMGPOBSA-N	1008.220	13.607	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341789	FGVKMAOLVWSRSP-SFHVURJKSA-N	648.423	11.155	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccc(Cl)cc3)o2)cc1	150386722	HFHINMMUOGZYSC-MJXLXAJKSA-N	647.968	5.706	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(C)cc2)cc1Br	150462908	XRNSCDPDAIGSAU-MHDJOFBISA-N	678.436	6.826	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc(I)c1OCCOc1ccc(C(C)(C)C)cc1	150479077	MZRGZJDOCJUXGQ-HNSNBQBZSA-N	713.598	5.852	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(OC)c2)cc1	408537736	HBVQLKKTIHDIJS-WPWMEQJKSA-N	613.110	7.850	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCc1ccccc1	408568847	XAVQRYJBACKGCP-UXHLAJHPSA-N	564.423	6.115	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1	408568942	XONQHVLOEZBSFD-UXHLAJHPSA-N	523.471	6.417	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(F)cc1	408580348	ORNHFZPMKDSEQP-VCHYOVAHSA-N	517.192	7.002	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1OC	408580772	DXCBFMPIJQQBFH-YBFXNURJSA-N	591.423	5.457	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1C	408606379	LSHFYQMEYLYFLQ-SFHVURJKSA-N	541.435	5.124	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408607803	OJOMHKQALINEMQ-MRXNPFEDSA-N	518.372	5.216	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408659078	VMTAXRPZZPEQDU-HLFFMGMJSA-N	643.954	7.123	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)cc2)c1	408671699	UCVWQQOVZWBVJD-UHFFFAOYSA-N	610.505	5.786	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1ccc(C)cc1	408710560	HCEQFFOFZWAEMP-RWPZCVJISA-N	527.415	5.516	50	40	KKGB	
CCCCCN(CCCCC)C(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)N(CCCCC)CCCCC)cc2)cc1	408720584	VZFGHOUHSTUTFR-UHFFFAOYSA-N	653.113	8.873	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408740321	BBNANTCTVCYYRH-DHDCSXOGSA-N	539.298	5.612	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)c1	408745283	LDMMIFRQAHJPOP-XKZIYDEJSA-N	561.863	7.779	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408778648	JMGGLKDIXFOWHL-PXNMLYILSA-N	597.211	6.870	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c2cc(Cl)ccc2OC)cc1OC	408781068	RBZYUMSERBEXOJ-ZCTHSVRISA-N	588.126	5.399	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408785233	VCMNXOHUTYYFSD-BKUYFWCQSA-N	601.328	6.599	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1cccc(F)c1	408788532	KULLHOSOPUGDQY-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1	408791404	XEYJCGCCIKVGAR-OEAKJJBVSA-N	518.997	6.349	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1I	408791409	XGBHQMAVQJHURR-MHWRWJLKSA-N	581.204	5.341	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)c1C	408791771	CDZWWVKJQQWYOB-VXLYETTFSA-N	605.245	6.934	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792712	CBKVLGTVBYIHQH-XIEYBQDHSA-N	562.467	7.577	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408794403	IZTNMSOSHNPKIJ-LZYBPNLTSA-N	705.117	7.336	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408794770	JEOZQVIHSVZZNM-LZYBPNLTSA-N	730.094	6.691	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408824164	PVQIHNPPDYXPQT-ZVHZXABRSA-N	754.375	8.064	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc4ccccc34)o2)cc1	408833954	KPSPTDOBQCOFEV-AEUUOICLSA-N	649.556	6.528	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1cccc(C)c1	408835063	WTDNNYHWJXLHQJ-WGOQTCKBSA-N	587.503	8.404	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2I)cc1	408838549	FZITXDDZQLXXGO-XJECJHNESA-N	784.461	8.723	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408839020	LSBXSJGSBJXREV-ODNPBWNPSA-N	691.003	7.880	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408839451	SKUFVLSLWHNVGV-IZYHBKOJSA-N	685.600	8.064	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408845696	YUZDPMMUZTWTCH-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1	408851699	MTPMAPJQPUOPAT-NVJOKUIPSA-N	621.123	7.372	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408858190	QJZZKEXXIFDZSO-QJOVZPHJSA-N	594.067	7.156	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)ccc1OCc1ccccc1	408865482	CRCNNJMKDQPYRO-QNKGDIEWSA-N	603.766	6.040	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cc(C)cc(C)c1	408878703	BKVHOJMFPSUENA-KEBDBYFISA-N	536.382	6.107	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OCc1ccccc1	408883233	SBLMTYHQVOWKCF-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408884476	UOXSKGKMDQVDFJ-FMFFXOCNSA-N	555.700	5.845	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1	408884498	UQDQABNFYLDVSB-ULPWCQAASA-N	607.832	5.213	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OC(=O)c1ccc(Cl)cc1	408886086	HXHZTDZVWWJKKD-MZJWZYIUSA-N	531.790	5.493	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1Br	408888676	YTXQSVWXAUQISL-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1c(Cl)cccc1Cl	408892817	DBOQHNDJCZZTQD-XODNFHPESA-N	530.433	6.355	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2cc(Cl)cc(Cl)c2)cc1	408893318	MBMCEXCDMIUQNN-FJEPWZHXSA-N	590.920	5.795	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408893627	GIGAVDHPTZCESK-GIDUJCDVSA-N	622.215	6.706	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OCc1ccccc1	408898913	YJBWMUUHGPBIFP-XDHOZWIPSA-N	556.254	6.653	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2Br)c1	408924838	OURUBVZTZBXORM-GIJQJNRQSA-N	652.124	7.249	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(I)c1	408942575	GFTXQYPEZICZDQ-MHZLTWQESA-N	828.442	5.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C(=O)OCC)cc2)c(OCC)c1	408950726	SHMJNUBSFQOCNL-HKBQPEDESA-N	800.672	5.331	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c(OC)c1	408954960	NXRDXOVZMZJJIB-KEGCFKOLSA-N	691.568	6.454	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1	408957818	WIYAYKVOSWRHEX-XESRJCMYSA-N	687.149	5.810	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408962550	TUFVLRMFYARDEL-AMVVHIIESA-N	554.386	6.728	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12	408969591	QMBABWHRCZBWRZ-APGNXCHESA-N	650.603	7.573	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccccc1Cl	408989762	LXRPKSJVGBJYIO-UCQKPKSFSA-N	521.444	7.554	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408998304	UGKANYMFATZRLP-DHDCSXOGSA-N	690.013	8.414	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409010316	CAHPEOLUMPLUKY-JBZNKQRISA-N	644.816	7.742	50	40	KKGB	
CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	409018253	UCSKJABRZBXVGM-JHDYRUHQSA-N	502.398	5.313	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)cc2)S(C)(=O)=O)cc1	409026621	UQSNXVCGBKUZFC-UZWMFBFFSA-N	521.642	6.032	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1cccc2ccccc12	409047877	VBYQTTHIYRCHPA-FDALDRLYSA-N	616.515	8.169	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2Cl)Cc2c(Cl)cccc2Cl)cc1	409056811	IYGBQRTZOJUNBV-KVSWJAHQSA-N	559.302	5.950	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)cc1	409063893	ANSBKFSBULPMTM-GZTJUZNOSA-N	576.266	5.833	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409069570	VZGHCTYTTNHSSW-LPYMAVHISA-N	551.426	6.642	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(Br)cc1	409070728	OROFLLYVYLTRAT-HYARGMPZSA-N	585.420	7.720	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409086631	AAJPOGXKCDFJRL-XDHOZWIPSA-N	525.483	6.967	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1c(F)cccc1Cl	409143038	TWVUUJYNTPBCGB-KKMKTNMSSA-N	573.271	5.236	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	409164048	BTCFPTRCSJRNGV-WKULSOCRSA-N	518.828	6.485	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409238162	LWFIFPVHBSGNFG-PXNMLYILSA-N	753.094	7.802	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br)Nc1ccc(Cl)cc1	409251209	OWTSXMUXEYWWFP-DLCNMLRHSA-N	660.981	7.751	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409257135	QXCCMNIXBLXHBV-PPDIBHTLSA-N	598.224	5.388	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)c1	409257217	PCIUCLZDXAQZJM-MFOYZWKCSA-N	603.698	6.737	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccc(Br)cc4)cc3)CC2=O)cc1C	409258636	UZXJLLDVVVLBGW-HRMYGOSUSA-N	520.427	5.148	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OC	409320957	FZTYKTDVSMXHES-NUJZUDFISA-N	519.812	6.563	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409321476	HUPRQNCHGCVOLA-KMUKQRDJSA-N	602.087	6.416	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409325503	ZFNSVYHMSJMYFQ-FDVSRXAVSA-N	651.295	5.979	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409363259	KZXODNQTOLWRQG-WQRHYEAKSA-N	538.373	5.468	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c1	409363437	LVERGORDALBDBR-QDTIIGTASA-N	564.705	6.754	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1	409364702	OULHRCOKLXTUOK-UVHMKAGCSA-N	502.796	5.252	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(N(C)C)cc2c1-c1ccccc1Cl	409394496	BDNBKVLTBBBDND-UHFFFAOYSA-N	759.282	8.724	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(-c3ccccc3)c2c1	409397447	KAMQPFUKVVJBRS-UHFFFAOYSA-N	592.608	6.524	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397670	MPBXJALRZQNONZ-UHFFFAOYSA-N	663.899	7.475	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397966	PUXPAENSGUUZEU-UHFFFAOYSA-N	603.418	7.042	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C(F)(F)F)cccc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409397982	PXNKMUGJRBPTND-UHFFFAOYSA-N	680.035	7.433	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC#N	409402305	JRWBQPHHDRBITK-CNCDYAKUSA-N	611.880	6.357	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409404778	QYJHKRZTHYPRBJ-PQKVGRGHSA-N	626.713	7.509	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1cccc2ccccc12	1529548693	LTOHBUMAKBGHEG-FQOUXIKBSA-N	678.811	6.041	50	40	KKGB	
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O	1888977	NXRWWIODDATPCQ-UHFFFAOYSA-N	509.547	5.143	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	2671162	UKOYPYZKVJCDBR-QGOAFFKASA-N	592.427	7.068	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1	3079720	KJIYYXOKYVVAQR-RUMWWMSVSA-N	555.656	5.375	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1Br	3115434	WRSJMXWDIALJAE-FMDHHVHLSA-N	569.455	6.133	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(SC)cc3)C3=C2CCCC3=O)sc2c1CCCCC2	3666726	YQKHPOROJOVSFJ-DEOSSOPVSA-N	533.719	6.220	50	40	KKGB	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	4174431	YLBUNEVLWJEHOD-BTVDGINQSA-N	569.334	5.731	50	40	KKGB	
O=C(Cc1ccccc1)NN(Cn1c(=S)sc2ccccc21)Cn1c(=S)sc2ccccc21	5486489	NDWBZZCXUWMPTA-UHFFFAOYSA-N	508.719	6.369	50	40	KKGB	
CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O	16741536	HEUNEABXWFMPCN-FIOJILPZSA-N	520.633	5.954	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1F	20348434	RNOQZICPWGSEDT-VWLOTQADSA-N	505.615	5.548	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	25765725	SXBXYSUCOAURJD-UHFFFAOYSA-N	500.668	6.177	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	59886040	ACVXMTFAWWEKIS-QXUDOOCXSA-N	622.143	5.980	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccc(C)o1	97951823	ITOUXMDNDYEADO-SANMLTNESA-N	549.052	5.957	50	40	KKGB	
Cc1sc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1Cn1cnc2ccccc21	98008227	CRPJXFGUDXCTLE-HHHXNRCGSA-N	536.617	5.668	50	40	KKGB	
O=C(CCCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	98045797	BQYMPXCNHBNKDR-FGGILOIWSA-N	604.751	7.176	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1	100400055	KPLBRPAJSDPNCT-BVMLUPFRSA-N	619.914	5.720	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C(F)(F)F)C3=C(O)CCCC3=N2)c(C)c1	100703130	JBXPFSRZNAWPHT-DEOSSOPVSA-N	511.569	6.964	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)ccc1OCc1ccccc1	100973819	PCJCKWHDNYWJGJ-XZYGTATASA-N	624.788	6.464	50	40	KKGB	
CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528209	UOAVDNYZEXTDOI-JTQLQIEISA-N	586.214	8.670	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(I)cc1	103796517	SHHULENODYQFNH-BRJLIKDPSA-N	562.205	5.971	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br	103889412	OLOCKYUKUXSJCV-WZUFQYTHSA-N	563.029	5.616	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1Cl	103891044	LKEQXXLPIFHODC-YBEGLDIGSA-N	581.091	7.643	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1	103895855	IEIBPNJCNMDJER-DPNNOFEESA-N	612.535	6.235	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1cccc([N+](=O)[O-])c1)N2	104246724	IZYGMLSUEPIQQQ-NCIBMYPZSA-N	525.970	6.240	50	40	KKGB	
CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341409	LUUYUJHWTUHFEU-VIFPVBQESA-N	972.243	13.362	50	40	KKGB	
CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341775	IOCKQMRFWRKEEK-KRWDZBQOSA-N	834.424	13.306	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	150376984	CIYGHFARJXCXKK-UCMJSZAQSA-N	650.599	5.199	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	150440302	HMPXLEALBPTRPT-VYVUJPJFSA-N	806.007	6.948	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(Br)cc2)cc1	162393629	WACCOGZTUDWJAS-DPNNOFEESA-N	669.985	5.774	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)C[C@H](I)CC(F)(F)C(F)(F)F	169795249	WGMZHQVWYXCKQY-SYDPRGILSA-N	559.951	6.159	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(=O)C[C@H](C)CC)CC[C@]4(C)[C@H]3CC[C@]12C	217205525	VKBCMZKYIQGGGT-GZYJVYQCSA-N	644.617	10.635	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(OCc3ccccc3)c(OC)c2)cc1	408539577	XRIZUNACQBVESQ-NLRVBDNBSA-N	613.508	7.560	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551223	JMNBSFHVVWUHOV-CXUHLZMHSA-N	586.273	7.113	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551270	MSKJHNIGJHGNMZ-RQZCQDPDSA-N	631.777	7.802	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1	408582752	PXPRTSGJLXCTCB-YBFXNURJSA-N	531.777	6.605	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	408605778	NDRYUQGIBKUMKY-HHHXNRCGSA-N	538.629	5.359	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408606923	BCGIMMCBZWNWDZ-CCVNUDIWSA-N	500.382	5.368	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O	408645995	SUXDTKRULOPEKT-OAQYLSRUSA-N	533.770	5.666	50	40	KKGB	
O=C(COC(=O)CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)NNC(=O)c1ccccc1Cl	408663523	ABWWWUAGEIEGBH-UHFFFAOYSA-N	564.809	5.162	50	40	KKGB	
Cc1ccc(NC(=O)c2ccc([Si](C)(C)O[Si](C)(C)c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)cc2)cc1C	408719922	HNSQTVBJURWZGE-UHFFFAOYSA-N	580.877	6.966	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1	408755914	PWSJFOWGOWHUDR-LGJNPRDNSA-N	511.028	5.210	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OCc1ccccc1	408758735	QBGOVRXDVMIQDL-FLANDWEYSA-N	602.551	5.188	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(F)cc1	408761817	BRGLLWZGAWRAHN-ZDLGFXPLSA-N	621.244	6.716	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccc(I)cc1	408774720	CPTXKSBPJQYTCO-MFOYZWKCSA-N	616.237	5.305	50	40	KKGB	
C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1cccc(I)c1	408788980	GVFUKEWYWUAMBG-YYYGAUAXSA-N	555.441	5.219	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408790346	VTDIMDPIWYDBOE-LICLKQGHSA-N	549.195	6.723	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408792474	KDLHOKUTBXVRQE-BUVRLJJBSA-N	512.993	7.025	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(F)cc1	408795197	KNSRTHZWQVEPAW-NLRVBDNBSA-N	522.576	6.928	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408798166	UXPNYLVOPDIYGY-VXLYETTFSA-N	570.237	6.343	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC	408821695	AFDUQOQZGZKPAP-OVCLIPMQSA-N	521.795	5.629	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(Cl)c(C(F)(F)F)c1	408825617	DZFLLLGIOLBBSS-VVEOGCPPSA-N	574.408	5.508	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1cccc(C)c1	408840338	AROQZUNGLOSMMZ-BBDASIIWSA-N	547.611	6.029	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408848731	YBPSICULLICGEV-IPPBACCNSA-N	661.363	7.392	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408852675	MODWBGIOWGGFLZ-XODNFHPESA-N	551.268	7.198	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408853584	PXVNXIPWAABFCJ-BIKKEBSBSA-N	638.993	8.940	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408857737	MBTANEAQLZQPFH-OEPDXVHDSA-N	787.520	6.487	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1	408859078	VXPIQJORQUVDMN-VXLYETTFSA-N	547.674	7.907	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1cccc(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408867099	JIICGOCHBCIJQF-WOJGMQOQSA-N	503.293	6.743	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1	408872030	JHBBMBJDAUREAE-ZXTCRCEHSA-N	702.660	8.439	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2OC)cc1	408882659	RRADNECVVPIZMH-XDHOZWIPSA-N	568.367	5.382	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(Br)c1	408887462	OOKMUYWQGDSSNG-FOWTUZBSSA-N	621.263	5.742	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1ccccc1	408888145	SSUJHVUPPMRXDU-WOJGMQOQSA-N	566.364	5.529	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408892025	XJHYPNHXPPAZGO-XDHOZWIPSA-N	540.981	5.059	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccccc1Br	408895363	MNRRZGXYLLACGK-WOJGMQOQSA-N	527.802	6.331	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c(C)n1-c1ccc(Br)cc1	408922886	HJVYGFRBFSQOBL-GZTJUZNOSA-N	546.206	6.007	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408946774	PVCONNLXXMCXOG-CPDSRJINSA-N	629.305	6.446	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408946916	MZSCGWXAWHZEPR-WJOKGBTCSA-N	697.641	6.195	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408952493	NZHXIXLVCRWAQD-JAIQZWGSSA-N	624.289	6.446	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408962347	HQDOHEJWQAQABM-XKJRVUDJSA-N	506.864	5.409	50	40	KKGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408977534	WNCPHGCJAQUTBY-HCNMGLPWSA-N	559.417	5.129	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(Br)cc1	408997526	HANWQVGMZGDQCX-UYRXBGFRSA-N	516.176	6.697	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)o1	409035121	IVNQTTWCYBXEAX-GKZOUCHWSA-N	570.432	5.861	50	40	KKGB	
C#CCOc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)cc1OC	409041485	AHAKYAFNXRCUDP-STBIYBPSSA-N	514.379	5.449	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	409058054	QVIRKAIUUMWTIY-WOJGMQOQSA-N	535.354	5.229	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1	409085461	ZIHBIHDDYHMKOW-VGOFMYFVSA-N	590.140	6.793	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409088129	DKCRLWDLLJJUJN-PMNVOCJDSA-N	639.333	6.962	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	409144020	NBTVMPQWXSDTII-OCSSWDANSA-N	646.938	5.698	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409166230	CSXUWRPWGAZDMP-KBVAKVRCSA-N	595.494	5.351	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)Cc3ccc(C)c(C)c3)c3ccccc32)cc1	409180071	WFKWNBKRXATFMG-IQKYOFROSA-N	553.662	5.507	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OCC)c3)cc2c1	409186367	BADZARAVGDPKOX-MNDYBZJGSA-N	618.855	6.831	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(C)c4)c(Br)c3)cc2c1	409187813	UOZDOXYEDOXNBD-NUJZUDFISA-N	541.829	6.899	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	409220028	SSQATBWOBFBCAT-XXKYAXTBSA-N	534.956	5.225	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c2)ccc1OC(C)=O	409227415	YKMJYFJZESGUMO-UHFFFAOYSA-N	664.896	6.272	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc(F)c1	409235278	AZJRNDNWZWEKBO-ZDLGFXPLSA-N	563.345	7.130	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OCC)c2)ccc1OCc1ccccc1	409262228	GCQJHZMUPCYCNU-CLHYIUPASA-N	630.141	7.115	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409311820	IMCQUYRULHXMSG-UXHICEINSA-N	603.311	5.809	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1OCC	409312680	GKTWPIXBZASQQS-MWLSYYOVSA-N	588.296	6.518	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)ccc1OCc1ccccc1	409317613	RETIYWIHQNNZBZ-FZPRHHONSA-N	549.454	7.232	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OCC)c2)ccc1OC	409323492	PFCVOXFHXLJJLX-NTFVMDSBSA-N	574.415	5.440	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)ccc1OC	409325577	ZGMKECQQVWHPBE-MUXKCCDJSA-N	547.833	5.861	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OC	409330990	CBDAZKRDAUUFPO-MBTHVWNTSA-N	567.447	5.331	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409374690	WSEDGXPQIIYBPS-GRSHGNNSSA-N	518.367	5.984	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2Cl)c1	409387584	XBLFMCRGAIGAAX-KKMKTNMSSA-N	514.390	6.768	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)c1	409395687	QQKIIBWOXHEIRT-UHFFFAOYSA-N	697.383	8.505	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398312	SMDOKTYLMUWMJH-UHFFFAOYSA-N	658.505	6.615	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)o2)cc1	409403781	NZVLZQGBZJRMGY-AEUUOICLSA-N	632.942	8.025	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409405764	VCMWACRJOJAKSF-GYJUCFALSA-N	671.488	5.584	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(I)c1	1529547100	ISIJETHSAPBPSS-JYALLGCPSA-N	719.001	5.409	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccc(-c2csc(Cc3ccccc3)n2)c(Cl)c1	1699707	PDLMBZSEVCFYAX-KCSSXMTESA-N	542.963	8.397	50	40	KKGB	
Cc1cc(OCC(=O)N/N=C2/C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)c(C(C)C)cc1Cl	1875497	XVPXFVMBNYUYAB-QCWLDUFUSA-N	561.908	5.224	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	2670840	CVHPOPUDVMYQHN-MHWRWJLKSA-N	525.373	6.755	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1OC	3259063	XPKYGLQSTMKGAB-DPNNOFEESA-N	578.698	6.020	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc([N+](=O)[O-])c1OCc1ccccc1	6906533	CXGUDLUPRSSVBM-SUGRXFNRSA-N	621.650	5.652	50	40	KKGB	
CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccccc1OCC	9089551	ZJJMOFVESMLUBK-PKTZIBPZSA-N	507.612	5.042	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c(OCCC)c1	14361358	OZYOOYHMDCNJIH-RDRPBHBLSA-N	519.692	6.930	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1	20158787	KPVUZQZNMQCGGB-DPNNOFEESA-N	508.965	6.555	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	20233136	KWHRQJVSOUIWET-JVWAILMASA-N	520.438	5.128	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)cc1	97965296	LEESCSLTUFJTNC-LUOAPIJWSA-N	619.192	6.923	50	40	KKGB	
CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1	98050463	XOSWUIPYHKIQSZ-UWHLTILDSA-N	557.323	6.159	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)c(OC)c3)nnc2-c2ccccc2)cc1	100858989	OMYRMDRVBAXSJC-FMFFXOCNSA-N	579.682	5.773	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	101749231	PZVJVJQROASRJF-ROTLSHHCSA-N	555.297	5.577	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	103902657	NLSXBBWILPYJBT-QNKGDIEWSA-N	571.699	5.627	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(C)cc1	104402225	VKYIZRJDQZMPQN-MZJWZYIUSA-N	546.259	6.262	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	105436998	LJNBCNQJAXYDQB-RUMWWMSVSA-N	561.063	5.328	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc(C)c1	139523165	VEZSJLCYCVARAD-CIAFOILYSA-N	535.394	5.979	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2C)C1c1cccc(F)c1	150371911	ZJJNIWFEXNZLAF-UHFFFAOYSA-N	668.556	8.417	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccco1	150440167	YPLBNYZTHZVNFR-PGGKNCGUSA-N	641.030	6.139	50	40	KKGB	
CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)CCN2C(=O)/C(=C\C(C)=C\c3ccccc3)SC2=S)C1=O)=C\c1ccccc1	150447578	NOBISWISGIIOBY-UNZAXZITSA-N	648.857	5.219	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	197824483	NUJFMDBKISBOSN-ZSNJKBEMSA-N	629.060	6.347	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2OC)ccc1OCc1ccccc1	408540225	OUGBSPCEMUHMSA-APTWKGOFSA-N	589.486	6.778	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408542955	MGCMRNKSYDFKET-IUXPMGMMSA-N	668.200	5.858	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408551090	AYYPQGPEURSLBK-YBEGLDIGSA-N	511.321	5.465	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408551097	BCHVJAVMTNTFAO-YVLHZVERSA-N	514.796	6.518	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408552572	QYNILQMZXSDRHM-WOJGMQOQSA-N	633.326	7.116	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553029	UQAMMYKDPHNTDG-OVCLIPMQSA-N	640.236	6.309	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1	408606818	QLCXLHFRXFDZEJ-HSZRJFAPSA-N	537.428	6.339	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	408664008	YNRWGJKDMPQHBK-OPXVNJCFSA-N	531.823	5.038	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408673592	UAPWEZAYPGBSCV-MHORFTMASA-N	554.666	5.327	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)ccc1I	408746941	IFWJKDNWFHLQOZ-RPPGKUMJSA-N	646.650	5.901	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)ccc1I	408748123	YTXAZHMBFRCUPE-UVHMKAGCSA-N	564.807	5.613	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OCc1cccc2ccccc12	408752060	BNDVNNHDJRIYHX-JRODBUQKSA-N	652.611	6.342	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(I)c1OCc1cccc2ccccc12	408753655	KCWZMOARPFRIAD-OEAKJJBVSA-N	604.444	6.976	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccc(Br)cc1	408776885	SBMHXSNNNDJMMA-UNOMPAQXSA-N	585.296	6.411	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408788053	ALLTWOJDVNIWAQ-SRZZPIQSSA-N	505.958	6.388	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccccc1F	408789582	KHQKHDJNJWPVKT-PCLIKHOPSA-N	648.472	7.533	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1	408789783	LJCZVESGSDENED-DEDYPNTBSA-N	539.813	6.404	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1cccc(F)c1	408792091	HSBPVWWEKSUUIH-VCHYOVAHSA-N	529.793	6.765	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408792865	CUJLHCFSXYDQIQ-WOJGMQOQSA-N	512.349	6.425	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798631	WKXFYDHEWGVORJ-REZTVBANSA-N	653.101	7.357	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2c(C)ccc3ccccc23)c1C	408805060	CVRQJZWEKIKWFS-BUVRLJJBSA-N	525.446	7.652	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408817720	UKJYELVYARULSH-BUVRLJJBSA-N	529.423	7.697	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408818025	MOZRUYYZHFLCIE-LSCVHKIXSA-N	719.144	7.014	50	40	KKGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408830786	OSFPKNIRZVRNCH-LTGZKZEYSA-N	513.391	6.736	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)NCc3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408835116	MLUYWQCDNNWISM-JLPGSUDCSA-N	594.520	6.509	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	408838306	URUHTEKDBNMFAX-GZZLJNBRSA-N	571.699	6.034	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1	408840172	CEXHPWHQMYCKFY-KMUKQRDJSA-N	599.474	8.011	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1cccc(C)c1	408847932	VXIGOOKVWXOZHB-ZHSUKTGHSA-N	680.490	7.099	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(I)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408859965	WGVZVCFSXDALGV-FDAWAROLSA-N	636.287	7.535	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(C)cc1	408860138	YHUCZNXBUDMAOT-QDTIIGTASA-N	527.802	6.509	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408861844	BFUPDYUZFFNZEP-OCSSWDANSA-N	600.535	5.293	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1cccc2ccccc12	408863474	SDAMUMZXNHPQMG-AABVJFSESA-N	637.545	7.329	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)c(OC)c1	408871339	ZFPWBHTZBAFSQG-CIAFOILYSA-N	507.384	5.269	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1c(Cl)cccc1Cl	408880344	JLECFPBRQPNRRW-DEDYPNTBSA-N	552.255	8.034	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccccc1	408887322	NPQHMONAKFSWKR-XNTDXEJSSA-N	509.272	5.603	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OC(=O)c1ccc(OC)cc1	408892117	BETQLYATLGJOFO-YBFXNURJSA-N	580.391	5.838	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OCc1ccccc1	408892306	YNBUZBCNDHLKAE-VCHYOVAHSA-N	682.150	7.258	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccc2ccccc12	408893768	HLVZCILPSCPHLL-OKCVXOCRSA-N	507.373	6.528	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408894799	IWCSMMHJCUJUKJ-LICLKQGHSA-N	579.221	6.731	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OC(=O)c1ccccc1	408897134	VZTLAAWNXYUJHZ-MHWRWJLKSA-N	593.204	6.371	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccc(Br)cc2)c(OC)c1	408949557	FRDQATQCZPAZDH-VVYBVRPNSA-N	764.855	6.173	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c2C)sc2c1CCCC2	408977471	DPBWPARETKKMBF-UWZNAYGFSA-N	646.835	6.080	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c2ccccc2)cc1	408980864	TYLBGTQIKHTQBA-BQBNFOSNSA-N	550.684	5.558	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408983929	ONCGYOJYYYKIKY-ZDLGFXPLSA-N	512.349	6.343	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1	409003567	STVUZFJYTUJIDH-VOWJQMTESA-N	538.044	5.479	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1cccc(F)c1	409009763	BTSKSUKAXRHFTQ-VPUKRXIYSA-N	657.661	6.944	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4Cl)c3C)cc2)S(C)(=O)=O)cc1	409026886	DNFWOTDTZLVEAQ-FDAWAROLSA-N	549.096	5.786	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409036719	LTJHYIHBMVNRPO-LQKURTRISA-N	562.835	6.005	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409045716	HGCHNWBJJWECJT-FYJGNVAPSA-N	548.437	6.028	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1	409047971	QFAPHKHJUDXQSW-GIDUJCDVSA-N	615.536	8.296	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409048161	QTGAFXICJJLSBH-LZYBPNLTSA-N	509.286	7.276	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409074640	UHFSNECDRGBFDJ-FOWTUZBSSA-N	503.363	5.315	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cccc(Cl)c1	409077030	CQUKRNLYMIEQDC-NUJZUDFISA-N	666.684	7.045	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)Cc2ccccc2Cl)cc1	409111833	DBQZHUSLWCTOHI-ZCTHSVRISA-N	548.064	5.782	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409115739	GZBCUPHXMYFWAQ-NLCQWKJPSA-N	633.170	5.559	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1O	409127424	CPLIISDJMGYLBH-CCVNUDIWSA-N	594.915	5.169	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)cc2)cc1	409133302	SALGOGSGYQCYHV-KBVAKVRCSA-N	569.514	6.298	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(F)cc2)cc1OC	409137568	YGQCWCXXUJYZBV-DPNNOFEESA-N	592.693	5.213	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409143304	LRGIAZLBMWIPST-HXUWFJFHSA-N	703.112	6.052	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Br)cc1	409219064	IOPPDSUYYVSSDC-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)cc1	409227437	YPEMOCNKPVSSLG-WOJGMQOQSA-N	569.253	6.083	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccccc1Cl	409239635	HTNZHZDJIFFZEP-KKMKTNMSSA-N	519.454	5.620	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)NCc1ccccc1	409265494	VGEHOGMDEUEQIC-XDHOZWIPSA-N	524.802	5.343	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(Br)c2)cc1	409266936	ZDYCRFCXMHSTCV-ODLFYWEKSA-N	583.280	6.392	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1OC	409318279	UQTQFMQJOKJWDZ-NUJZUDFISA-N	566.279	6.896	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1	409320115	PBSLYZVUDYFIMW-XZOQPEGZSA-N	537.435	5.282	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCc1ccccc1Cl	409364067	MYUWLQCSRCJZKX-MUXKCCDJSA-N	562.835	5.842	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(I)c3)[nH]c2c1	409374458	QBDFLFNKJCDWNW-MFOYZWKCSA-N	560.222	7.426	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409388834	WMMZMQRVCSYCPL-VXLYETTFSA-N	572.359	5.238	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396882	CKGNBSKMZKKJKE-UHFFFAOYSA-N	667.343	7.905	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409397006	DXOYHKXUVJQTIU-UHFFFAOYSA-N	622.892	7.795	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)[nH]c12	409397123	GNNKHOCCGPMHMW-UHFFFAOYSA-N	536.031	7.342	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397708	NCBMGESXPZOUFF-UHFFFAOYSA-N	568.029	6.797	50	40	KKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409406152	WCEBPJVWILGTGN-KWMKVIAQSA-N	611.480	6.812	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	1529548273	ZRQPAOXIHJMMDG-AHKFIOAWSA-N	766.512	6.829	50	40	KKGB	
O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1	2096691	KFFOVPVLXISNBS-UZWMFBFFSA-N	534.645	5.914	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)COc2ccc(Br)c3ccccc23)cc(C(C)(C)C)c1O	3079299	KTVOPJMLFWNZIQ-WKULSOCRSA-N	511.460	6.432	50	40	KKGB	
O=C(CCl)Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Br)cc2)cs1	3764180	QCECPTHAGGRDTM-UHFFFAOYSA-N	508.228	6.256	50	40	KKGB	
N#CC1=C(S)N(c2ccccc2)[C@H](c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)NC1=O	6148149	BACXTHSTYOVRFN-SSEXGKCCSA-N	525.637	6.506	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	6190611	QNDTVWLZAOCTEX-NLBMTHMHSA-N	569.705	6.842	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1ccc(Cl)cc1	8811005	QSKNOKRMZMHZMM-CCVNUDIWSA-N	503.382	5.752	50	40	KKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1	9076282	ONQDQCVABYAXLX-VOUPIIBTSA-N	516.066	6.748	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1cccc(Cl)c1	9204668	JYZJAOCEKZQPPT-JFLMPSFJSA-N	501.808	5.773	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)n2-c2ccc(Cl)cc2)cc1	9211008	CTGYDOQIZKMZPN-VULFUBBASA-N	506.975	5.047	50	40	KKGB	
CN1/C(=C\C=N\NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)C(C)(C)c2ccccc21	25423592	BCGDZCQUOIPTPP-ARHBNYHBSA-N	500.602	6.027	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccco1	58980000	LLCUSUMNDTVJSK-WKULSOCRSA-N	508.361	6.182	50	40	KKGB	
Cc1nn(CCC#N)c2c1[P@](=Nc1ccc(I)cc1)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2	97983948	YEHMGENHDZLQDN-QEBMZUDTSA-N	656.512	7.549	50	40	KKGB	
ClP(Cc1cn(-c2ccccc2)nc1-c1ccc2c3c(cccc13)CC2)(c1ccccc1)(c1ccccc1)c1ccccc1	97984673	LTZPBYMPPDMGRC-UHFFFAOYSA-N	607.137	8.975	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)N1	98048643	XBVCRNWKSCEDDL-VWLOTQADSA-N	632.020	6.875	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc(C)cc1	100063487	OSBUBJALGXUHGT-RWPZCVJISA-N	560.286	6.191	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	102810037	FJOSWURYOQQILX-DEOSSOPVSA-N	538.551	6.005	50	40	KKGB	
O=P(OC[C@H](Br)CBr)(OC[C@H](Br)CBr)OC[C@@H](Cl)CCl	103654460	RAYIMXZLSRHMTK-HLTSFMKQSA-N	608.711	5.307	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(I)cc3)ccc3ccccc23)cc1	104403302	CNHRWCPEWAPJST-STBIYBPSSA-N	550.396	6.186	50	40	KKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](Br)C(=O)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@@]21C	118923882	YNWYOSBEGUAVTN-UXKGMCKHSA-N	525.524	5.719	50	40	KKGB	
O=C(Nc1cccc2c(O)c(/N=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc(/N=N\c3ccc(S(=O)(=O)Nc4nccs4)cc3)c12)C(Cl)Cl	150391128	AKLRZBQCBHTKED-WVCCOWEBSA-N	802.729	8.633	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795259	FPXGOPDJPGZONE-RFZPGFLSSA-N	859.993	9.971	50	40	KKGB	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(=O)OC	205476572	LACUDBFJBSQZIP-KCBNVHKVSA-N	514.867	9.166	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br	408540169	OAPCMQBVDODGPG-CFRMEGHHSA-N	561.112	6.697	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408544094	UPWPOHOTOSTOLM-ZDLGFXPLSA-N	525.330	5.377	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552869	LFZARZFZSBIDJQ-MFOYZWKCSA-N	589.273	6.636	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(F)cc1	408570911	ZMSRYQWGDFLHAI-MFOYZWKCSA-N	557.338	6.488	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(F)cc1	408578780	AVFZLUWVKKQXDB-LZYBPNLTSA-N	507.186	7.547	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(I)cc1	408590928	RKZOGHDHVYQZPH-FSJBWODESA-N	522.184	5.225	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N2C(=N1)SC(C#N)=C2N	408607718	ULYVMANOQMPTFC-FQEVSTJZSA-N	502.518	5.694	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1	408726092	OYCPULQYWNBTNP-JAIQZWGSSA-N	525.830	6.853	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)c(I)c1	408742876	CJTBTSHSRBXBJH-ODLFYWEKSA-N	512.322	5.863	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1	408744371	KTUTWTSVIWFFON-WQRHYEAKSA-N	546.248	7.279	50	40	KKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)Nc1ccc(Br)cc1	408745828	VUXCSMNSMZDPHW-XFFZJAGNSA-N	507.127	6.470	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCc1ccccc1	408748272	BBKWUBUKOLKHPJ-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408771472	IFXRMDVKMZWTAM-HAHDFKILSA-N	548.481	6.737	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccccc1C#N	408793488	FNAXVIINZKRSED-YDZHTSKRSA-N	530.422	6.407	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCC(=O)Nc1ccccc1	408799839	LVEYDYLPKROPRU-CPNJWEJPSA-N	505.958	5.310	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1cccc(Cl)c1	408804389	FICPMDLCTXYIRB-RQZCQDPDSA-N	532.221	6.889	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Br)c2)cc1	408805252	FKFHFYICOTUJPC-HZHRSRAPSA-N	555.428	6.822	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(OC)c2)cc1	408815791	UZYFQIOEGXYKGM-BKUYFWCQSA-N	554.384	5.111	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408826533	JRVZGBTUPIUWIM-AFUMVMLFSA-N	666.399	9.167	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCC	408827727	MNGXDRIEDDJNNI-DEDYPNTBSA-N	602.856	6.867	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC	408831986	QNZFKALPHQNJLW-KGENOOAVSA-N	612.851	6.480	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1C	408834044	UHDGGZBGLCLBQE-ZTKZIYFRSA-N	617.543	8.923	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2I)cc1	408838442	FKOVEZQCYIWHBE-FABQOPTDSA-N	658.565	8.118	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408841106	FPRRUOBPUXOYQO-IBBHUPRXSA-N	579.078	6.230	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)cc(C)c1OCc1ccc(Cl)cc1Cl	408850157	HCJQBWDTONIWCB-KKMKTNMSSA-N	506.227	6.716	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Br)cc1	408853425	SDMLRKMOHJUSQA-WKIKZPBSSA-N	605.226	6.151	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1	408855176	CZSVJCTWJPVPRJ-IBTHDSTKSA-N	525.652	7.524	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408861333	QNVVMAKDBBVSTM-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1	408861719	BYCYGBFYMVDVDC-KCSSXMTESA-N	667.538	5.599	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc2)cc1	408862263	DVWXUDIECXTFOJ-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408862736	HRLUVDMPTBJHPE-OKCVXOCRSA-N	572.521	5.219	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Br)c(Br)c1	408874050	XWYTXRIZAMISES-YBFXNURJSA-N	544.674	7.310	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Cc1ccccc1Br	408879992	ICDVMTSQYPTSPZ-RQZCQDPDSA-N	516.222	6.901	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2cc(C)cc(C)c2)cc1	408883013	PYQBVJPWJVZJGF-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1Br	408883609	UCQQPZVLHCXSGU-LSHDLFTRSA-N	525.222	5.160	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1	408885262	YSAOZKAUTZDROP-BVMLUPFRSA-N	664.365	5.829	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1	408892464	ZSLAOUCZJWVSMW-UDWIEESQSA-N	521.367	5.671	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCc1ccccc1Cl	408897020	PTNFXYNGZCEFGT-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408905320	XDUBQUPBMSQCMV-MWLSYYOVSA-N	567.440	6.528	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1	408923765	JTRPQHCUQXKABG-NNLKUIAGSA-N	635.705	7.567	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)c(OC)c1	408957612	VGVBZQDJZBVKEV-NZCLOCIUSA-N	738.867	6.015	50	40	KKGB	
COc1cc(Br)c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969599	QMRPTPCUUBWKTF-UVQKAKQTSA-N	623.331	5.418	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	408970548	BEZUKGSDUCHYEM-PFFBDVMVSA-N	584.887	6.552	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1C#N	408973147	ZFZBUYJEUHKHEY-AWMDICQRSA-N	737.422	6.506	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408974403	YTQNZXOBHCJSBZ-DVAMMYLFSA-N	645.392	6.159	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1Cl	408988831	RRYLXUPNXITYND-IUXPMGMMSA-N	686.569	7.903	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4cccc(Cl)c4)cc3[N+](=O)[O-])sc2c1	408989504	HYWRZZFUXXZCLL-MHWRWJLKSA-N	537.022	6.953	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408996399	DKFOWCUPJZEQDK-RPPGKUMJSA-N	640.215	5.245	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(I)c1OCc1ccc(Br)cc1	409000835	YTPINJZKYVAFGC-CIJDEGAQSA-N	874.333	6.286	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)cc1	409009011	BCRMFHCRUUQORD-ZIGIQDIVSA-N	575.621	5.883	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1ccc(F)cc1	409012703	LEJLXDWEGCMYAT-PNQUVVCRSA-N	763.139	7.285	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc(OC)c1OC	409020610	RAOIIXGDGUSXCD-ZJEFOEFXSA-N	689.677	6.160	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1	409024519	CIALSVOIOATEFH-RDRPBHBLSA-N	521.042	5.093	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1cccc(Cl)c1	409035289	PJUWRKKCDXIGMS-XZYGTATASA-N	614.927	8.059	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OC	409035628	QLIDQWBGAXUKLY-LQKURTRISA-N	504.384	5.836	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1)c1cc(-c2ccccc2)nc2ccccc12	409039566	RIOYAXAZAFFQQB-MZFJOGFUSA-N	536.429	7.007	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409082751	NAJCKLJNMJRVQF-VGOFMYFVSA-N	562.844	6.522	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1	409143387	DVUSILHHZJRQNO-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1ccccc1Cl	409172655	FDFVAUGRLVRDQA-AMVVHIIESA-N	648.885	5.066	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccccc2C(F)(F)F)c(OCC)c1	409175014	XVQHWUHBAHJMCT-ROPCREHHSA-N	698.436	5.214	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1ccccc1	409223708	HYKFXWMKBFGCMF-UHFFFAOYSA-N	597.624	5.347	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409250415	LIHFYDKDGPTFTK-KOKCXWAISA-N	654.192	8.004	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)c1C	409253927	VZNBEXDNKSVADA-NVJOKUIPSA-N	549.252	6.154	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	409254835	FZUQNUUCAIOLAV-YBEGLDIGSA-N	500.769	6.210	50	40	KKGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C2C#N)cc1	409322089	KIOCYFPLFJHSSI-INIZCTEOSA-N	509.937	5.468	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12	409358952	HYYPFZFDHIADOP-LQNQUEJISA-N	564.423	6.033	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2)cc1C	409380435	NBAYIKRUVCZCOY-MOSHPQCFSA-N	504.384	5.629	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I	409383723	COGFXGXWLFEWEN-DICXZTSXSA-N	640.259	5.069	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409395077	JNFHBFKMPLQJOT-UHFFFAOYSA-N	745.346	8.379	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409395697	QTLOXCYEWXKKCH-UHFFFAOYSA-N	738.820	7.791	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)cc(OC)c1OC	409395857	SNIJHHYPZMMYTP-UHFFFAOYSA-N	737.401	7.377	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccco1	409396951	DHJPSDNDMJDPGR-UHFFFAOYSA-N	518.356	6.718	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397601	LSVDSVBCMZBVJV-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409401829	IGQUYTIDAHTFHQ-NMQPEJGJSA-N	604.616	5.277	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1cccc(Cl)c1	1529549414	YIMISKSZNKCBNU-CKRMDNAKSA-N	702.027	5.575	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1COc1ccc([N+](=O)[O-])cc1	667398	FHMIUHRJIUEXLA-NDEPHWFRSA-N	522.561	5.487	50	40	KKGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)c1OCc1ccc(F)cc1	985864	SZRXBRHVLICJMV-SANMLTNESA-N	524.596	6.220	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667559	HCTDGWAQECLJNX-XMMPIXPASA-N	560.676	6.043	50	40	KKGB	
O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(SSc2ccc(NC(=S)NC(=O)/C=C/c3ccccc3)cc2)cc1	4017890	ZKXMHSPYCHILJH-XHQRYOPUSA-N	626.854	7.539	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)cc1	4062703	AZZSJVXAJYOUNX-HNSNBQBZSA-N	529.625	6.768	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@@H](c1ccccc1F)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	8426414	XQHJBDJTSLYBOM-IGAVQHHTSA-N	593.507	8.657	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C45CC6CC(CC(C6)C4)C5)c32)ccc1OCc1ccc(Cl)c(Cl)c1	8442080	YLCHUTLETZNRFB-STENCPGBSA-N	577.512	6.990	50	40	KKGB	
COc1cc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)ccc1O	8984021	JUAJRYFCKJJJEJ-JVWAILMASA-N	514.051	5.450	50	40	KKGB	
CCOc1cc(C(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc(OCC)c1OCC	12657538	XKHDKAMDZYZWKU-UHFFFAOYSA-N	529.593	5.085	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1COc1ccccc1	13027799	ZQHGOLBRVFQBLI-MTDXEUNCSA-N	506.671	8.510	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2ccccc2Cl)cc1	20059133	PCRYRWXHNFWGDA-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCc1ccco1	97946319	AXNQOSFOMWUVFO-JJIBRWJFSA-N	535.003	6.588	50	40	KKGB	
Cc1ccc(Cn2c(SCC(=O)N/N=C\c3cc(Br)cc(Br)c3O)nc3ccccc32)cc1	101485542	ZMDQORJZNNPHRJ-PPDIBHTLSA-N	588.325	5.866	50	40	KKGB	
CCc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(\C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1	102420213	ZPIJJBDUBDGOHB-FWNOPPMYSA-N	608.163	7.796	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)N1	102808308	QBQSWESQZNCCNY-HKBQPEDESA-N	623.134	7.179	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	104402960	SCRBWCSPZUWPLB-MZJWZYIUSA-N	564.807	5.695	50	40	KKGB	
O=C(N/C(=C(/Cl)c1ccc(F)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	105969490	PHGWIRSCZBBJGB-FPODKLOTSA-O	536.994	7.115	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1	112264507	HDFMCODKHFOZBS-JFLMPSFJSA-N	528.390	5.188	50	40	KKGB	
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](OC(=O)c3ccco3)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl	118912478	MJDGUHJEIVTMQZ-VYYCQGSCSA-N	615.506	6.327	50	40	KKGB	in-vitro
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C	118931370	SPJCRMJCFSJKDE-YTHHPMJBSA-N	644.812	10.466	50	40	KKGB	
CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341782	WLVQYMOVZKXLJA-QGZVFWFLSA-N	934.438	14.577	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2C)C1c1ccc(N(CCCl)CCCl)cc1F	150373935	HTASBAGIHGBFGR-UHFFFAOYSA-N	808.569	9.701	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCCCCCCCC	150382810	HVQZYCXYFLFKKQ-QSMBJQKESA-N	905.123	15.948	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	150433516	IVGBVXMUDUURHX-BIZUNTBRSA-N	655.640	6.323	50	40	KKGB	
N#CC1=C(SCc2ccccc2)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@H]1c1ccc(F)cc1	252444338	GSYBXRCOUJWYKK-AWRGLXIESA-N	518.557	5.993	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2OC)ccc1OCc1ccccc1	408537859	HPSCJKFILJDNKG-JFLMPSFJSA-N	583.084	7.678	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408538824	CERHZDRCGMIXLL-PKAZHMFMSA-N	583.084	7.841	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1OCC	408538958	RZXUJRRUFGHISX-NTFVMDSBSA-N	544.515	7.003	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(Br)c2)cc1	408539447	HTIKZNABNZHFLV-QJOVZPHJSA-N	680.437	8.485	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)N3CCCCC3)cc2)c(OC)c1	408541667	FCHDBQPSSDPCPV-DIBXZPPDSA-N	523.633	6.008	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1)Nc1ccc(Cl)c(Cl)c1	408551531	DRDSQZLVSPZDBV-ULPWCQAASA-N	510.299	5.794	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408579011	CIMGXERKWRINJM-VCHYOVAHSA-N	502.876	7.831	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1	408606728	ALRRXOUFDBARBI-RWPZCVJISA-N	500.382	5.450	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408610558	OEDKKXNAFPKLCA-XODNFHPESA-N	520.800	5.713	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408610873	OUTNFGNMSOAGIB-WKULSOCRSA-N	528.392	5.235	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(Cl)c1OCc1ccccc1Cl	408612356	YGNFZQQKPWBFIF-GOSISDBHSA-N	514.409	5.386	50	40	KKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(F)cccc3Cl)c(Br)c2)c1	408612676	WTANJFMPTLEOKO-KKMKTNMSSA-N	518.770	5.218	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)cc1	408648643	KALGHSYRFIMNLH-NKKDEYRYSA-N	739.373	5.140	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1cccc2ccccc12	408725373	HPGJILCZSRQWQV-IPPBACCNSA-N	584.264	6.422	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408726830	VSAZISCBHXEUBG-ZDLGFXPLSA-N	576.274	7.288	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408748009	WZSWPXZIPQAHOR-ONUIUJJFSA-N	540.461	6.659	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl	408752197	GIMHLHNBXNHPGL-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc2ccccc2c1	408765620	WTPVUZIOMTWOGX-QRVIBDJDSA-N	606.314	7.888	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1	408777973	NHLXVEZWEDRTES-ZCTHSVRISA-N	562.047	5.213	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408787467	ANHMDOVWNAKWGL-CAOOACKPSA-N	689.118	7.636	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)c1C	408788602	DUXCLRSKGVXSDX-UDWIEESQSA-N	587.255	6.795	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408790818	REUVCWJMCRAQCN-YBFXNURJSA-N	560.275	7.588	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Cl	408795758	NBCLFHSQFVDRBN-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408796659	PMQKNJBFMJLWLV-OEAKJJBVSA-N	561.863	7.779	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(O)cc1	408797964	UPYYPCYOSREQGR-CXUHLZMHSA-N	609.645	6.537	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(O)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798761	XBQJVNRAQXBLLM-YCRREMRBSA-N	537.966	5.612	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408799536	ZOCRZHSAQYWUQD-CAOOACKPSA-N	595.118	7.952	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408804770	BHAHMGVUAFDFHS-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(O)(c1ccccc1)c1ccccc1	408819369	RPEDXOSIEPXECJ-DPNNOFEESA-N	528.439	6.383	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(C)(=O)=O	408838511	XGVVQBWGFPYWML-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC	408839413	RUCQZHPBCPBQRN-HNSNBQBZSA-N	567.598	5.256	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc(OC)c1OC	408840820	BXEKIQJOKHDHQW-ALQBTCKLSA-N	646.494	5.639	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccccc1Cl	408844327	NJZXXRGSJFLRHS-XJECJHNESA-N	662.009	8.630	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)c(Br)cc1OCc1ccc(Cl)cc1	408846344	JTQLDXMOWDMNSS-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(Br)cc1OCc1ccccc1Cl	408854378	DLOASDPESRUXBT-KBVAKVRCSA-N	551.868	6.926	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OC	408861657	FCTFJAMWEJITGC-UVHMKAGCSA-N	601.306	5.119	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408862471	ZHOXIHLEMIYZJQ-FABQOPTDSA-N	639.561	5.973	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3cccc(F)c3)c(OCC)c2)cc1	408865355	DCJDXDYRVXZRRP-UDWIEESQSA-N	570.402	6.364	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408865385	DEMHFJOIAFISFP-LFVJCYFKSA-N	511.419	7.289	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1Cc1ccccc1F	408873834	WDUFKRBQZMIPMT-XDHOZWIPSA-N	556.375	5.974	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1	408875094	CWIRZLWPRWUGIP-CPDSRJINSA-N	532.394	5.472	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1Br	408879577	FIIDQRDWASHZJN-VXLYETTFSA-N	604.726	7.697	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1cccc(I)c1	408890824	ZTJFMUSFDBZCTE-FOKLQQMPSA-N	611.146	5.426	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1OCc1ccc(Cl)c(Cl)c1	408892054	AIJCUDZREYAELM-KCSSXMTESA-N	535.427	5.967	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OC(=O)c1cccc2ccccc12	408897554	YBYJODUMYGAKLQ-SEBMTOOBSA-N	580.725	7.451	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408898786	XOCCYYXXNUDCSG-PONZDJLKSA-N	643.902	8.146	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408900138	SWYFOPGLBZEUMT-UVHMKAGCSA-N	541.840	5.886	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c(C)c1	408906404	BHRUPZFWQYSPSZ-MUFRIFMGSA-N	513.407	5.957	50	40	KKGB	
Cc1ccc(Sc2oc(/C=N\NC(=O)COc3ccc(Br)cc3Br)cc2Br)cc1	408912731	RTXPLDHUICRVJU-VROXFSQNSA-N	603.130	6.556	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)c(OC)c1	408947633	BEHBUXWRNDMBJG-WHNQQBDFSA-N	736.019	6.563	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	408957993	WVOFSALOJWWGOA-JFLMPSFJSA-N	548.808	5.615	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(F)c1	408964928	UAOUXZSBUBSWGM-XKJRVUDJSA-N	525.296	5.959	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408972135	SMXXGFACYOTHPE-QDSMSZDISA-N	682.435	7.948	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408973157	ZGVACSBPTZMIHP-QRECDSSUSA-N	584.500	5.602	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1Cl	408981853	CJLFOVCHLFHNER-UWVJOHFNSA-N	585.683	7.170	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1cccc(C)c1	408981895	DMPOSCSLIWIFHN-JAIQZWGSSA-N	572.830	6.695	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1	408996753	JVBIZELGGWKJCJ-KCSSXMTESA-N	586.442	6.002	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)cc1	408997242	MFQLNIBTYTYETP-HNSNBQBZSA-N	556.018	6.283	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	409001785	KKYZQUPEJKSOIL-OCSSWDANSA-N	542.935	5.484	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1	409012871	LGLOIOZNYGGLLD-ALXLYEBLSA-N	653.691	6.858	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1C	409013408	NGOAEMMHQUTNLC-KBKYJPHKSA-N	637.228	5.888	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc2c(c1)OCO2	409013472	KMFUALKSJYYCHG-CVGDWTJOSA-N	623.706	5.266	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409025998	DBKOQNXEPLPMDZ-HNSNBQBZSA-N	625.147	5.509	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409039555	GZSXWGRSBKWJJG-FJEPWZHXSA-N	566.839	6.024	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)c1	409057830	LJZAZFIJWZKQIM-MUFRIFMGSA-N	546.476	5.208	50	40	KKGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1OCC	409063307	KGGWVYLVHRKESK-WJDWOHSUSA-N	506.340	5.033	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409076931	CLVDOGLOCGKEKL-OVCLIPMQSA-N	611.270	6.991	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409120173	SDECUJWSPJTATH-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409123873	IMNOTRUOKSHLRP-VWLOTQADSA-N	540.491	6.264	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccccc1	409141932	OSASOCDZWPUZSW-KCSSXMTESA-N	626.960	6.023	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	409165173	UGCXZVXVIFPUIT-MUFRIFMGSA-N	514.409	5.840	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc34)cc2c1	409188538	ZZLNOQZIIOYANZ-LJUMEUDFSA-N	543.417	7.090	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c2)c1	409224886	LEZNPYIDYKZJAZ-UHFFFAOYSA-N	704.202	8.062	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409233418	SBZWUPSRXMNOLG-WCIBSUBMSA-N	503.658	5.130	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1	409267541	NMCPHNUZGLTLIT-IVMLMAQVSA-N	510.421	5.638	50	40	KKGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3Br)=C2C#N)cc1Cl	409310013	PCHXDQSULREGGX-AWEZNQCLSA-N	520.836	5.130	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1OCC	409312223	KGDVQYARPOJYGK-MNDYBZJGSA-N	624.757	7.395	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)ccc1OC	409315226	URFLOZHGADVEAU-MXAYSNPKSA-N	559.329	5.229	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OCC	409316873	RJBBKEAWNLUWPD-FDVSRXAVSA-N	618.424	5.138	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409356603	HWAWRDPSTJQCNH-KKMKTNMSSA-N	596.117	6.115	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccs1	409369272	JLIWSAIQBXHOSG-MYKKPKGFSA-N	561.310	5.159	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc2ccccc2c1	409371800	ORAXVLLXSSPSGN-FMCGGJTJSA-N	562.363	7.004	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCc1ccccc1Cl	409372782	NIQVOYOZBQIDFZ-ODLFYWEKSA-N	641.674	7.591	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409373357	HSZPLKOUUGESGN-MTJSOVHGSA-N	504.417	7.558	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)cc2Br)cc1	409373885	IQVFJBXRIUMTOU-UNOMPAQXSA-N	501.384	6.024	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409374206	ZSOBVLWWAKJZSB-IURWMYGYSA-N	637.155	8.023	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409396580	ZDQDAQNELXSZBU-UHFFFAOYSA-N	721.749	7.776	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1OCC	409397032	FHAIFXFXHIPTQK-UHFFFAOYSA-N	626.507	7.378	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409398675	VDKBIKXUYMYOCW-UHFFFAOYSA-N	533.540	5.555	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409399327	ZNBQPLCHZVCIET-UHFFFAOYSA-N	620.027	8.197	50	40	KKGB	
CC(C)[Si]1(C(C)C)OC[C@@H]2OC(n3ccc(O)nc3=O)=C(OC(=O)c3ccccc3)[C@@H]2O[Si](C(C)C)(C(C)C)O1	1081070661	LXZOPNOKKKUTCF-LADGPHEKSA-N	588.806	5.287	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	1529544627	KLMNMDICXGJKRM-AMLSOKQWSA-N	587.485	5.138	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	2670832	NCRWKLKGSJYGHS-NTEUORMPSA-N	549.266	8.153	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc3ccccc13)N2	6074199	HATBGVIBXSBWJO-UYVIBWFJSA-N	529.061	7.989	50	40	KKGB	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12	13095946	VRQSWPAPRNPQON-IBBHUPRXSA-N	515.404	5.921	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1O	14134764	HSAFRPZTZXYXGU-WYMPLXKRSA-N	504.178	5.260	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc(C(=O)O)c1	14152051	BWFNIAAIKAXRIR-RGVLZGJSSA-N	513.575	5.330	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(=O)c1ccccc1	15932263	MKDOXTDCPADCOF-GZTJUZNOSA-N	500.860	6.132	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccccc1Cl	20348478	FQBNTOQLHLSZFZ-XMMPIXPASA-N	510.015	5.146	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	58916546	BBWPYGXNKUKYCY-WPWMEQJKSA-N	520.438	5.128	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H](N[C@@H](C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1	59100885	MSZYQWCTAUZISV-ROJLCIKYSA-N	589.534	7.191	50	40	KKGB	
Cn1c(-c2ccc(/C=C\C=N/NC(=O)c3ccc(C(=O)N/N=C\C=C/c4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3)cc2)c[n+]2ccccc12	59364603	FDTRPVQXNHYJAQ-WFTUDPONSA-P	684.804	6.033	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(F)cc1	59887730	RFOONJNQIQRMDD-WKULSOCRSA-N	527.927	5.234	50	40	KKGB	
CCOP(=O)(COc1ccccc1P(=O)(c1ccccc1)c1ccccc1)COc1ccccc1P(=O)(c1ccccc1)c1ccccc1	95100917	SSYSDWBYBZHFHN-UHFFFAOYSA-N	706.652	7.653	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C(C(=O)Nc3ccccc3OC)=C(C)N2)c1	97951841	BNYSKLPQOXDONW-MHZLTWQESA-N	544.633	5.312	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCCOc1ccc(C(C)(C)C)cc1	97964050	NJCLLSPJLAKQAC-OQKWZONESA-N	533.466	7.059	50	40	KKGB	
O=C(N/N=C\c1c(Br)cc(Br)c(O)c1Br)[C@@H]1COc2cc3ccccc3cc2O1	97965311	YUOHEYBHGWEJSF-CTDCPWBUSA-N	585.046	5.123	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](CCSC)C(=O)NN(c2ccccc2)c2ccccc2)cc1	97984711	UUODSTQNSUZDPU-LJAQVGFWSA-N	568.699	5.669	50	40	KKGB	
Cc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2OC(=O)c2ccc(Cl)cc2Cl)c1	100032647	CGVIGQDFKGPFND-PUHLOBNQSA-N	616.284	7.811	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122257	NDSQHNMZVUVUBP-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100124292	CRKDAVJNGICMNL-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1Cl	100328764	XBJBJIAPWATWIB-KKMKTNMSSA-N	576.925	6.542	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(C)cc2)cc1	100380128	QLASUOIRWRMMDG-FDAWAROLSA-N	581.163	6.123	50	40	KKGB	
Cc1ccc(-c2cc(C(F)(F)F)nc(SSc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3)n2)cc1	100413617	OVBPMRSKADJUEP-UHFFFAOYSA-N	538.542	8.054	50	40	KKGB	
COc1ccc(NC(=O)[C@@]23CC[C@](C(Br)Br)([C@H]2Br)C3(C)C)cc1	100848670	DHJDHNVEPNKHMY-CSMYWGQOSA-N	510.064	5.320	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccc(Br)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	101422533	AWBOUEBYGZNAMJ-DXJNIWACSA-N	592.563	6.635	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)N=C3CC(C)(C)CC(O)=C32)cc1	102574005	XKZMMHGRJAAYMJ-VWLOTQADSA-N	522.070	6.934	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccc(C)c(C)c2)cc1	103897955	ZBCHTKXXQJDVCG-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1ccc(/N=N/C(=N\NC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)cc1	104315630	ONCUOZNYVVTBQD-QEEVISEHSA-N	528.016	6.172	50	40	KKGB	
O=C(N/N=C/c1ccccc1)c1sc(C(=O)N/N=C/c2ccccc2)c(-c2ccccc2)c1-c1ccccc1	104823597	GWXGXFRIIIIFOE-WXGDAXOSSA-N	528.637	6.610	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795314	UDQMGDBQRRMELO-YUMQZZPRSA-N	902.074	11.141	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccccc3C(F)(F)F)cc2)ccc1OCc1ccccc1	408540242	OZYYCUVHYBNGSB-KMUKQRDJSA-N	548.561	7.026	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551648	LSWUAKUTTGBIJD-ADJDCTSUSA-N	695.028	8.694	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551855	MYWAAUQAFHTJHJ-YVLHZVERSA-N	555.374	5.863	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552889	SAEYOKBWYVMVAC-NVJOKUIPSA-N	565.797	5.735	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	408567436	NIAJPVDFNGVWEK-UZWMFBFFSA-N	508.622	6.660	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12	408569878	QTXUJXBQURPPHD-MUFRIFMGSA-N	530.675	5.288	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408578719	AKWNCXYJVKDLMQ-YBFXNURJSA-N	513.775	7.053	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc(Cl)cc1	408598693	IOIBZFWIRLQEGH-OKCVXOCRSA-N	590.889	6.984	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1	408645551	SLEXOLYWNJTGTG-NCOADZHNSA-N	617.121	5.156	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(I)cc1	408743797	BSKLEVLLIXGFAY-YVLHZVERSA-N	623.672	6.840	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)ccc1I	408747689	ROUWTXCPINFVIW-LUOAPIJWSA-N	599.208	5.648	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)ccc1I	408747961	WGJVCWAXYWSCOB-MUFRIFMGSA-N	566.395	5.805	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1	408747993	WSHCCBVHQKUHOR-FADJLKOXSA-N	555.074	6.432	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1	408757350	YTFWXPHNDOXTHI-GZTJUZNOSA-N	606.292	5.842	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408779594	ZEVWSANIGZJHNC-ZDLGFXPLSA-N	622.290	6.797	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1	408783658	PRIYHVSLZABAEE-JCMHNJIXSA-N	534.454	6.429	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408788652	LXBLDQYAWFXSOQ-CAOOACKPSA-N	550.667	7.842	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(C)c1	408789512	JURJQYNRAQFGHU-DIBXZPPDSA-N	556.504	6.321	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(F)cc1	408793679	GBQYWKGUAMVMAK-PCLIKHOPSA-N	601.472	7.691	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795161	KIOCHWNBGFZDNQ-LHHJGKSTSA-N	649.981	8.950	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(Br)cc1	408796789	PYABHNLWAFDFPM-NLRVBDNBSA-N	583.482	7.551	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c1	408797737	TUFWDQUKIUWLEY-VXLYETTFSA-N	619.151	7.716	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408811267	ARSCISXPNGZZLB-OYKKKHCWSA-N	513.550	5.143	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1Cl	408821451	HNIHQORKWIJYHJ-KYMQWJLESA-N	573.311	6.127	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c(OC)cc1Cl	408821756	AOYIXOAYDLEPDE-GIJQJNRQSA-N	513.377	6.144	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)cc2Br)c1	408837032	YBGMMPLFKPMUDG-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1cccc(F)c1	408838891	JTXUSQAOXHZFRE-XJECJHNESA-N	645.554	8.115	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408840817	BVLZXKUXQILSFS-PTEHHBOZSA-N	746.264	8.969	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841215	DEGPSZDFJHHCNJ-PTEHHBOZSA-N	825.297	9.413	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3cccc(C)c3)cc2)cc1	408842973	KWPFYDYQDXNPGQ-KCSSXMTESA-N	586.442	6.002	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)ccc4OC(=O)c4ccc(Cl)cc4)cc3)sc2c1	408848405	WCSYFRBNUBVJQN-QNVXDBMFSA-N	681.395	8.514	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	408858424	SBQFDJFODLHFCH-KQWNVCNZSA-N	576.074	6.187	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1	408860084	RRVAWXKPVKODJO-LGJNPRDNSA-N	571.280	5.110	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(Cl)cc2)cc1	408863783	QANYHOCGODVBNR-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1Cc1ccccc1Br	408866053	DFXFLLMVJZINSC-RQZCQDPDSA-N	656.145	7.896	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1Cc1ccccc1F	408866141	FVYISAUMRUZDKL-FYJGNVAPSA-N	507.403	6.686	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cc([N+](=O)[O-])ccc1O	408867518	KGLCMVTVKVVKHI-MYKKPKGFSA-N	504.724	5.059	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408876979	SEDUERGRZPKGPQ-KYMQWJLESA-N	591.116	7.804	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	408880904	JIWZWSKOQCSDTE-LICLKQGHSA-N	530.205	6.829	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1Br	408882212	OAJBIISMTKSPMD-YBFXNURJSA-N	604.726	7.697	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c(Br)c1	408884186	XYJDEVHBVYODPN-SFQUDFHCSA-N	574.656	6.938	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	408886661	HYXLGLPBGNFMDR-VCHYOVAHSA-N	512.349	6.343	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408888252	XYIUDSVCUGMXFG-RIYZIHGNSA-N	593.357	5.132	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)c(Br)c1	408896039	OYPZKSOSADWYSC-LFIBNONCSA-N	621.263	5.742	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408897733	STLDOMLEJBUXSE-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1ccc(Cl)cc1	408922878	HGVBTPYRSDKHOG-SGWCAAJKSA-N	607.069	8.382	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)c1OCc1ccc(Cl)cc1Cl	408924813	OOEMKPYHOOQEGI-LICLKQGHSA-N	625.144	7.960	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C#N)cc2)c(I)c1	408947096	NRDCMQBOQGKSTC-MUUNZHRXSA-N	788.462	5.389	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N\NC(=O)c4ccc(Cl)cc4)(c4ccccc43)[C@@H]2C1=O	408947881	BNMAXIBNYFECHJ-YVYDTRPDSA-N	607.022	5.223	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)c(OC)c1	408957152	SKVNNHPBRHPVCS-PDQWDMBESA-N	903.306	5.966	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408966383	LHSJVQGEFFOTBS-JBBSTVMTSA-N	520.289	5.260	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(I)c1OCc1ccccc1	408970889	ADXKDCJSZCCFQH-VURDCNJBSA-N	643.522	5.247	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408972134	SMXXGFACYOTHPE-NJTNCAHKSA-N	682.435	7.948	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	409000137	DVRSPLMVFMXFEB-YQHALXOCSA-N	626.562	6.449	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1OCC	409005745	KUEAFDWWJPVNDX-LQKURTRISA-N	506.430	5.183	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1ccccc1OCc1ccccc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028293	LEAMFSLZULAXQF-WSEOLZFASA-N	543.645	5.363	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409047939	NUFVAQHUODUQIL-ATZGPIRCSA-N	617.956	8.313	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409058113	RIPLLPVFIRLHMS-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409130923	OIGQSDKIQBVPBY-FQEVSTJZSA-N	599.106	6.912	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)[C@H](O)c1ccccc1	409141312	NBQLXZRWCJUMBV-KSRKCLLLSA-N	691.101	5.421	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409171104	ZBLHUNWZSOGEDS-IURWMYGYSA-N	591.879	5.769	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1ccc(C)cc1	409222773	CNJKCBUUZZWKGG-UHFFFAOYSA-N	597.624	5.265	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccccc1	409224183	JSFOTXIWVYQOKC-UHFFFAOYSA-N	576.436	6.628	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1cccc2ccccc12	409235210	BLCLVVCWRNCMDD-UQEONJGVSA-N	541.445	6.974	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409246156	FUKYPTXMVILHJL-BYINCCNUSA-N	529.851	7.409	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1	409248428	KGMWBZMNQAEFHF-IWEBCOIVSA-N	619.151	7.337	50	40	KKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)cc2)cc1	409251596	UXWKLUSDHVJZFE-WYMPLXKRSA-N	520.246	6.141	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409257366	SHYOYBMARHJBIO-UDWIEESQSA-N	615.855	5.584	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccccc2)c1C	409267633	WQHAOBHUQWCWSC-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1	409271034	JNOKYGIPPVAMEJ-ODLFYWEKSA-N	583.280	6.392	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)c1	409273343	XLDFOMNCELXSPB-ODLFYWEKSA-N	583.280	6.392	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)ccc1OCc1ccccc1	409309119	BTIVTLRPCOZVGX-HQDYHJHZSA-N	654.476	6.760	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409310330	AHGKXWOEIANPJM-ACXHZZMFSA-N	616.896	5.856	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OCC	409310598	VYQJDWOJGXZBQA-BVMLUPFRSA-N	657.332	7.137	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	409312792	NNUOTYLYBHEFRV-GXBUFBABSA-N	603.513	7.168	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409325578	ZHHSGSVUEKDTFQ-MBTHVWNTSA-N	570.942	5.685	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409363092	JLHZGAGFMWKKCH-VHFSBPNMSA-N	644.128	7.526	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409374218	KZJDIBPJZXUEGV-WOJGMQOQSA-N	566.355	6.118	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cccc(F)c1	409393369	QPKOKDCSHCLWLB-SOFYXZRVSA-N	511.605	8.192	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397129	GPTFBYYFSSEJRJ-UHFFFAOYSA-N	626.507	7.296	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409398168	RLDGNXVBAFPXKZ-UHFFFAOYSA-N	572.448	7.524	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409398237	RWEAGNJZQCHJFK-UHFFFAOYSA-N	556.449	7.687	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409398509	UBVFUXNYTPOBEZ-UHFFFAOYSA-N	582.454	6.979	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OC(C)=O	409406504	WYQWWTGTUUXGCQ-CNCDYAKUSA-N	628.907	6.770	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(C)cc1	409406514	WZSPLIJOMWCVJR-WBIBEUCMSA-N	651.676	6.273	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccccc3C#N)o2)cc1	409407104	YYGUHJBHTZYYPU-WBIBEUCMSA-N	623.507	7.243	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	1529548861	ORRZPSZNOQRBAS-QLGGRFKNSA-N	808.449	5.426	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(C(F)(F)F)cc1	1759895	RFYOKVZHEVBSME-KKMKTNMSSA-N	518.611	6.245	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3cccc(Cl)c3)cc2)sc(C)c1C	1785580	OZIHSJYOIMVMHX-KXVDBBMMSA-N	528.030	5.365	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1cccs1	1822258	AYPRBODAGXDRAY-RUZDIDTESA-N	534.638	5.602	50	40	KKGB	
N#CC1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	2761082	PPVKSQBGHPOHQD-QLXKLKPCSA-N	565.844	7.253	50	40	KKGB	
Cc1c(Cl)cccc1N/C(SCC(=O)Nc1ccccc1OC(F)F)=C(/C#N)c1nc2ccccc2s1	3271058	YZXURJTYAZAJQA-LFVJCYFKSA-N	557.047	7.536	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2c(Cl)c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1	6088408	XPKMRWRGTPYKCW-LQKURTRISA-N	520.035	6.273	50	40	KKGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1cccc(Br)c1	8451211	KEDNMTNKCDWJDL-QFIPXVFZSA-N	551.466	5.012	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(I)cc1)c1ccc(F)cc1	8812305	QXIKJDPNJVGQLL-BRJLIKDPSA-N	508.718	5.427	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2sc(N)c(C#N)c2C)ccc1OCc1ccc(Cl)cc1Cl	16689116	WXIQSPFVUVFGSW-IPBVOBEMSA-N	503.411	5.559	50	40	KKGB	
COc1cc(OC)c(OC)cc1/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl	19826008	CEAITNBSLRVVPD-MUXKCCDJSA-N	525.030	5.006	50	40	KKGB	
CC/C(=N/NC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc(C2CCCCC2)cc1	22860130	QVAUNDDJZZVIGL-BBTNWVSFSA-N	524.108	8.709	50	40	KKGB	
N#C/C(C(=O)N1CCCCCC1)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	33762251	RRFHAMTYWUFDND-XKCZREFCSA-N	500.451	5.822	50	40	KKGB	
C/C(=N/NC(=O)c1cccc(N/N=C(/C)c2ccc(Cl)c(Cl)c2)c1)c1ccc(Cl)c(Cl)c1	34746615	MZIDBLOOXSPDPL-DRNSWBLSSA-N	508.236	7.290	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	58917442	GFBTXEHNRPGRDA-CXEVKQCWSA-N	516.110	7.329	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	59383060	VSCZKZHFYIHFOZ-MTDXEUNCSA-N	514.047	5.173	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)c1nc(O)c2ccccc2n1	97947247	SDKFLBXWBSZHKG-ULJHMMPZSA-N	556.025	7.485	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3c(C)cc(C)cc3C)=C(C)N2)cc1	98048491	RPOLUXYLKJBBCO-MUUNZHRXSA-N	540.689	6.474	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(Cl)cc3Cl)=C(C)N2)sc2c1CCCC2	98048628	IUWZZWDSGQHWBG-AREMUKBSSA-N	671.628	7.410	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Br)cc1	100197659	PEVSVMYOYHGIPT-FDAWAROLSA-N	559.416	5.113	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1Cl	100226557	ADGIORMPMSSQRU-MTJSOVHGSA-N	586.857	7.085	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(C)cc1	100336354	WJXVGWDPAHLZJR-MTJSOVHGSA-N	538.385	6.041	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	100393166	TXSUIEYGLZEWAE-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C(C#N)[C@H]2c2ccco2)cc1	102760948	UBYIMKZFSDQVQM-SANMLTNESA-N	611.507	6.470	50	40	KKGB	
CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528526	WJFKIUGCSHLGRF-INIZCTEOSA-N	570.362	9.740	50	40	KKGB	
COc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc(Cl)cc4)(c4ccccc43)[C@@H]2C1=O	103597880	GNPQUIKKVFFHKK-KUAZKQCOSA-N	576.052	5.244	50	40	KKGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	103899277	DSZLHQUOPHRZHG-PPOKSSTKSA-N	589.117	6.156	50	40	KKGB	
C[C@@H]1[C@H](c2ccccc2)N1P(I)(c1ccccc1)(c1ccccc1)c1ccccc1	104127945	KDYIGQMLDMMTBN-PZAOWTEXSA-N	521.382	6.227	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3Br)o2)c(C(=O)OCC)c1C	106416672	ZAQXYTWKHWYWME-SFQUDFHCSA-N	570.461	6.460	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](Br)CBr	150341056	AKGKRBPGTSVAEO-REOHCLBHSA-N	805.936	9.695	50	40	KKGB	
CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341231	WADOWYSMEPNVPE-RXMQYKEDSA-N	916.135	11.801	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)S(=O)(=O)c1ccccc1	150383999	FVZIMZJREGNIQB-SEBMTOOBSA-N	669.159	7.295	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Br)cc1	408527434	FSDHWVDXEXWEQX-JJKQSNDFSA-N	676.271	6.612	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408533308	RXCGQOGVTLZCIU-CCVNUDIWSA-N	588.402	5.048	50	40	KKGB	
COc1cc(COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2)ccc1OCc1ccccc1	408538869	QVKKYDWQIWVRDV-LMOHNTGSSA-N	654.792	8.793	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550829	HMQPDLQQTMTHJY-ADJDCTSUSA-N	786.479	8.645	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408552387	SNZXUFJTLSCTJC-CAOOACKPSA-N	617.352	7.701	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1	408581894	ZTDDRMLQTKNQBG-VXLYETTFSA-N	517.648	7.817	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccccc1	408583386	UFBCGHHTOWFYFP-DEDYPNTBSA-N	554.384	5.780	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408641938	LMAIMJVDLDWOPP-BWZHCXAASA-N	645.175	5.934	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408643831	GMVHKDSXSIIQPX-OPYAIIAOSA-N	554.257	5.836	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408666965	ARVMZFQNFIKICF-YVSFHVDLSA-N	570.665	5.027	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)cc1)CCCC3	408731018	IGUQHNRXAANQQW-KVSWJAHQSA-N	710.335	5.313	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408745292	QWKXHJHOZFOKFE-GRSHGNNSSA-N	522.355	5.799	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1	408745457	MLVWKBNKMBABLI-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)ccc1OCc1cccc2ccccc12	408755522	ODSAPXUWLXWFDO-KQWNVCNZSA-N	574.418	6.968	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Br)cc2)cc1	408761818	LTSWZTNWNCVOQK-NBVRZTHBSA-N	506.356	5.021	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1	408784156	SUXZDGPJGGOKNV-UUASQNMZSA-N	543.174	5.203	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408788502	KLNGEJUBARWRKR-KEBDBYFISA-N	574.302	7.896	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(I)cc1	408792525	KNQMUOIBWDYLDU-VCHYOVAHSA-N	637.699	7.230	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408794260	RSLZACGRBYCTDJ-UDWIEESQSA-N	580.391	5.667	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408798273	VPPBMEWXHRSVNV-GIDUJCDVSA-N	626.088	7.551	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1	408799414	YZHULENYRHCNEQ-DEDYPNTBSA-N	566.408	6.279	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccccc1F	408800172	NJUOZXZDBOVXFP-HMMYKYKNSA-N	501.355	6.866	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1ccccc1F	408812677	PGDVBQNDKZIDMM-APSNUPSMSA-N	668.200	5.888	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408834992	XPMFVHOWVVXQQG-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccc(OC)cc1	408839194	OPFBSZLBVKHXQH-HNSNBQBZSA-N	572.017	5.983	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408843409	MHSSCUXLQNKVAZ-WHQPAHRZSA-N	831.223	8.693	50	40	KKGB	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)ccc1Br	408852555	UAFBWOZPMMNGLI-FYJGNVAPSA-N	509.831	7.152	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408875494	JGJVOIJZVKPWTI-FRKPEAEDSA-N	600.218	7.908	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1Br	408884826	YKMZVBMJOXIXFO-RQZCQDPDSA-N	576.672	6.998	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	408885633	DDNSMMDMFFFUCN-GZTJUZNOSA-N	511.759	5.876	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1cc(C)cc(C)c1	408886789	MBMIULTWUBIJRF-UFFVCSGVSA-N	586.857	7.003	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc12	408890817	ZRTDIRZIKFJOFU-RGVLZGJSSA-N	592.833	7.297	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OS(=O)(=O)c1ccccc1	408894597	JSGUBCQTBSKVNT-CPNJWEJPSA-N	588.423	5.312	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408901049	ZNXRQQFPDIOCNJ-RQZCQDPDSA-N	601.797	6.442	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1ccc(I)cc1	408904460	JULPKTRJUMOYIP-PPDIBHTLSA-N	673.143	6.868	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1OCc1ccc(Cl)cc1Cl	408923915	LEYZJHVCVNJCPW-MHWRWJLKSA-N	522.215	7.433	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408926271	WQLCFXLKBFSICE-UDWIEESQSA-N	554.024	5.237	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1	408944860	JTBNOBNUYOIUJQ-GDLZYMKVSA-N	681.609	5.230	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccc(Cl)cc1	408954583	RTEPUQNNGFFNBG-XYGWBWBKSA-N	526.036	6.403	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408957047	ZWAJCVSZSFDERB-XKZIYDEJSA-N	589.446	6.082	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCCOCCOc2ccc(C)cc2)cc1	408971519	HMVXPPYQBQRVSO-HAVVHWLPSA-N	535.438	6.086	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	408972038	OPKABXWSAWWRRK-WSAUHSMZSA-N	629.338	6.661	50	40	KKGB	
Cc1cc(C)c(COc2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)c(C)c1	408973170	ZMAHCEAJUXBZKZ-UELAUOCLSA-N	598.571	6.946	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408973880	WCPDGMXJDGFSCO-POPVJJPVSA-N	615.352	5.778	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCC#N	408982637	IQRJESYKJLCLTA-NVNXTCNLSA-N	521.742	5.100	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408985165	VYYLSUCXUXOHOZ-NVMNQCDNSA-N	556.800	6.452	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)cc1Cl	408985725	YEBFBMBNQXCRPG-FMQZQXMHSA-N	515.780	6.809	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C\c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C	408996983	FTTDBUNZTDEPDS-WKIKZPBSSA-N	511.445	5.441	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccccc1Cl	409013521	KPTSOAHREIWFAX-OFKWINQQSA-N	723.097	8.390	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCc1ccccc1C#N	409015138	YTKCBJPGCJYBEF-IURWMYGYSA-N	723.159	7.176	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1ccccc1	409021891	DKICDXYQFAHXFM-WKIKZPBSSA-N	560.775	6.042	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1C	409026272	KQMOMNSIMBRCAW-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12	409032229	LUODDUHNJPYGMQ-ZZOWMUITSA-N	561.641	5.735	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12)C(=O)Nc1ccccc1Cl	409047506	MUYAFDWNPRZUCF-UDWIEESQSA-N	596.706	8.143	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	409055652	ABODRBQPTXIOAR-UXHLAJHPSA-N	558.100	5.177	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1	409079381	AZUXGMIHOHLKKP-RIYZIHGNSA-N	509.818	5.403	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)Nc1cccc(Cl)c1Cl	409160383	WRSYQTDXDCONNW-IPBVOBEMSA-N	582.213	5.001	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)c(Cl)c1	409165739	BDOKCHJJJGGSMU-IBBHUPRXSA-N	562.881	6.802	50	40	KKGB	
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)o1	409191570	ZHZIPCACYNENJT-LUOAPIJWSA-N	509.773	6.001	50	40	KKGB	
N#C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1	409206261	SEUZWSOQYOLTPW-RXJBCPCZSA-N	527.216	5.548	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409255339	YULIDGKTARDZGN-PKIWBCANSA-N	566.427	5.789	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409271503	LRRMQZXOIQWIML-NUJZUDFISA-N	603.311	6.009	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)ccc1OCc1ccccc1	409313474	PZPZHJAMHMUFOD-IPHFVPNQSA-N	546.623	6.779	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1OCC	409322632	LBAYTRZNMOODLY-LQNQUEJISA-N	602.469	6.139	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC	409325239	YDWTYZGMIMBIAB-FDVSRXAVSA-N	571.424	5.296	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	409325418	YNJNSBNLXIRCLQ-MNDYBZJGSA-N	586.870	5.766	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCc1cccc2ccccc12	409366618	XDIOKOXGEVVTGU-JJFYIABZSA-N	514.375	6.983	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)Cc2c(Cl)cccc2Cl)cc1	409367822	LVFGIXPIWAFJMS-KKMKTNMSSA-N	569.854	5.205	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409368268	QRBZDFVZDTVZPY-ULPWCQAASA-N	597.908	5.821	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Br)c1OCc1ccc(Br)cc1	409384149	BLRSNTDLWPEDSR-CCVNUDIWSA-N	567.322	5.562	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccccc1Cl	409396200	XAQFMBGCVNUERD-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3cccc(C(=O)O)c3)o2)cc1	409401822	IFOLTHSCZKYFKW-FZKWRIDDSA-N	563.610	6.307	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(O[C@@H](C)C(=O)O)ccc4ccccc34)o2)cc1	409405370	TUGBUWHORUEQJD-ZBLBMXTLSA-N	551.599	6.035	50	40	KKGB	
O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F	885164239	YBSBLHUYFLCKNY-UHFFFAOYSA-N	742.097	7.397	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	1102302	NPCRNGLFDVHFCR-VWLOTQADSA-N	535.094	6.417	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(Br)c2)N1	1267768	VKEMRCKWHCWBKR-DEOSSOPVSA-N	565.518	6.217	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	2888269	RZLSUHJYYASERO-IDJUBOEBSA-N	536.484	6.087	50	40	KKGB	
Cc1ccccc1NCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2	3117126	IVALOQHVWIRLGE-IPBVOBEMSA-N	589.240	5.030	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1	3143029	AVJQYIMLXHKXHM-VUTHCHCSSA-N	564.461	5.587	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1	8860876	GTYQINCSYNGLFL-OCSSWDANSA-N	505.615	6.547	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5Cl)cc4)CC(=O)N3C2)cc1	12251086	XETUKPIIURBBOX-XMMPIXPASA-N	502.039	6.447	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cccc(C)c2)cc1	59856409	PHOPBIDKILPNLO-ZCTHSVRISA-N	532.065	6.116	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1	97951903	JMWUHCQFJVYRFR-DEOSSOPVSA-N	546.476	5.559	50	40	KKGB	
CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C(/CNC(=O)c2ccccc2Br)c2ccccc2)C1	97962776	GAPUBADJNGRSLI-TXBHVNISSA-N	583.571	5.689	50	40	KKGB	
CCCCCCCCCCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1	98000394	URXHIXWGQQSWIG-UHFFFAOYSA-N	559.589	8.384	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)cc1	98001559	DRZJIETWBWQEFE-ATZGPIRCSA-N	644.404	7.674	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1Cl	100119988	JKVJDFLQLHXXOZ-UXHLAJHPSA-N	535.069	5.478	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1C	100125701	APLRQQFIDIIAIF-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	100184116	PYCYXNLKWXJLRP-QNKGDIEWSA-N	576.118	6.597	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	100221094	RTLIDQQRNLDYFM-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Cl)cc1	100227803	LJQKCAOWCJNUHU-MTJSOVHGSA-N	586.857	7.085	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)Cc2ccccc2)cc1OC	100303997	GCQLOVCIYBILNE-FZPRHHONSA-N	629.566	5.759	50	40	KKGB	
O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C/c1cc(Br)ccc1O	100459548	RKCNMBUIZUAYBM-LGJNPRDNSA-N	587.297	5.407	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl	102384414	BVSJRABPQOHRBJ-WJOKGBTCSA-N	606.147	7.834	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc2Cl)cc1	103895808	ZEKQQGVLOWTPDJ-FJEPWZHXSA-N	576.889	6.561	50	40	KKGB	
C[C@]12C=CC(=O)NC[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)COc3ccc(N(CCCl)CCCl)cc3)CC[C@@H]12	104118631	XACVDPCGRAMKST-VMXPHWOQSA-N	577.593	5.806	50	40	KKGB	
CC(C)(C)C1CCC(=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1	105530149	AAWUMDGCVLUVAH-UHFFFAOYSA-N	534.520	5.349	50	40	KKGB	
CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341257	GWXUVXCPNCBQHP-ZCFIWIBFSA-N	780.141	10.286	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342165	PCIQRGCRWHZTLC-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	150490567	UJSPYJZLMSMFAY-KBVAKVRCSA-N	654.543	5.427	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1	162480880	MJIDAZFXHKKASK-XAZZYMPDSA-N	628.467	5.280	50	40	KKGB	
FC(F)(F)CC[Si](CCC(F)(F)F)(CCC(F)(F)F)O[Si](CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)F	195529851	UPJWUXUZJYRZHY-UHFFFAOYSA-N	654.525	10.608	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1	408539126	TXEZEAYULPZSQF-OYKKKHCWSA-N	633.926	7.823	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1Br	408539922	KOHSLPZNYIBIJH-GZTJUZNOSA-N	542.109	7.997	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccccc1	408555300	WWRFTRYPDCPCCZ-LICLKQGHSA-N	502.195	6.838	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	408566947	BTDWNOBIQFANMD-CCVNUDIWSA-N	533.502	6.580	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408568263	SGWLYYTYZWVNRS-UUASQNMZSA-N	547.211	7.423	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408650230	LZEZPJHNHKGXAL-UEXGIBASSA-N	519.812	5.182	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)Nc1ccc(Br)cc1	408745876	WBWJQTXJEAHWQP-LHLOQNFPSA-N	544.452	8.119	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)ccc1I	408746701	FVIKGZSKIOEFQK-KBKYJPHKSA-N	644.647	5.967	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc(C(=O)O)cc3)cc2Br)ccc1I	408746952	IJUBHFRUYKZMOL-KKMKTNMSSA-N	639.240	5.112	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408757829	CTPVIPBJBJNQAN-LGMDPLHJSA-N	572.393	5.069	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408758903	UKFWSQSWWWPNLQ-NHDPSOOVSA-N	552.255	8.034	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408759002	WIEYEJQQKNPKLT-GZTJUZNOSA-N	657.313	6.619	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1	408791169	VCVOPTPJUQEYMK-VCHYOVAHSA-N	638.218	6.468	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCc1ccc(Cl)cc1	408793320	DUEVOMGDASXPPO-HZHRSRAPSA-N	516.981	5.988	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1C	408793762	GKWVQFPGQNXPLQ-VXLYETTFSA-N	605.245	6.934	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCC#N	408794896	JMWSFBSMTBHWJD-DEDYPNTBSA-N	518.367	5.485	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408799409	YYVHJSKIBRTMMJ-RQZCQDPDSA-N	536.242	7.824	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)c(C)c1	408799659	ZWFBTIDEISNAQF-CIAFOILYSA-N	505.368	5.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(Cl)c1	408810796	MVPMWUAZOIIUSB-GIJQJNRQSA-N	603.800	6.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408821825	KOLRMZLHQFVFOS-GIJQJNRQSA-N	572.401	6.442	50	40	KKGB	
CCOc1cc(OCC)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408843686	GZTRBFBXZRTYBJ-KSEXSDGBSA-N	510.182	5.519	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1	408849349	WELFOASIHUIFDA-FDAWAROLSA-N	569.415	7.147	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(I)cc1	408850455	AHYSDVZNMISDLM-ACXHZZMFSA-N	659.318	7.270	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1	408856755	LHEFJFFGMWEODY-XLNRJJMWSA-N	538.069	5.680	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408859670	YYEUWQLDEGTUDF-PQKVGRGHSA-N	740.439	9.316	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408865643	DEUMZYHQSDTPFO-FMFFXOCNSA-N	595.508	5.981	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1	408871939	ZVQAFABRVKPUKN-TWKHWXDSSA-N	546.520	6.357	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1	408877476	RUVPNRUBXGDOBV-ZMOGYAJESA-N	587.470	6.430	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1	408883195	UCQHADBRPRCFFV-GZTJUZNOSA-N	576.266	5.833	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccccc1C	408889124	DWWPCTZSBAQVJE-SRZZPIQSSA-N	550.409	6.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OS(=O)(=O)c1ccccc1	408892303	YNBFXISZJRWXDB-QGOAFFKASA-N	527.396	5.161	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408898429	LFCBCZUSVGLJPP-YBFXNURJSA-N	545.444	6.322	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1Br	408900242	UJAUHJXQSBYJTK-VCHYOVAHSA-N	624.251	7.754	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl	408925802	TXBSZMRUGRZEPY-XQNSMLJCSA-N	523.419	8.424	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408949041	QHBHWLHMDHWKID-MUUNZHRXSA-N	706.446	6.220	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408950313	JEAIQCSAJQNKAS-UUYOSTAYSA-N	529.980	5.373	50	40	KKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1C	408962250	XRDSCBAIFQYOIJ-XODNFHPESA-N	604.286	6.842	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	408969654	RPIXNOXTFHDZPK-IIJFPOFSSA-N	584.503	6.945	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc(Br)c1	408970418	HPMASVYWAYPGIC-PWJBJKBWSA-N	529.262	5.204	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1	408973596	UOMIXOCAZXUNBL-YDLUIVLGSA-N	601.487	5.929	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(F)cc1	408986339	BVRRTKZIOBUXMC-BKUYFWCQSA-N	539.832	7.403	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1	409006577	PMCJSBVUZAOXCE-RGBTZMRASA-N	550.998	6.342	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc2cc(Br)cc(I)c2o1	409016250	QOOYMQUFGYGOHH-YCPBAFNGSA-N	604.025	7.131	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1ccc(C)cc1	409021296	AGQQOJRXURRVSQ-MNDYBZJGSA-N	534.410	5.422	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(C)cc2)cc1	409049850	YEJJGOGTKDEYQP-LDADJPATSA-N	531.417	6.014	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Cl)cc1	409129008	LOSQIHNBTGJNII-AREMUKBSSA-N	661.968	6.305	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409165819	AJDMGIYKAVORSX-VPUKRXIYSA-N	584.243	5.415	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3cccc4ccccc34)cccc2[N+](=O)[O-])cc1OCC	409218387	INFGKLQKJKKKOB-YKQZZPSBSA-N	527.533	5.529	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)c1	409250408	LBSCDQVLPYVGDZ-SRZZPIQSSA-N	508.405	5.851	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409260464	QOWAZQPKXZZBFC-WBIBEUCMSA-N	640.165	7.696	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OCC	409314109	FDTSIZUMPMIKHR-LJUMEUDFSA-N	543.447	6.699	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1OCC	409317357	PETGYRDECKQESZ-MBTHVWNTSA-N	515.379	5.729	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1	409320114	PBSLYZVUDYFIMW-PKTZIBPZSA-N	537.435	5.282	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)NC(=O)C[C@@H]1c1ccc(Cl)cc1	409324493	ULFXEBRQEFFGRM-CQSZACIVSA-N	500.329	5.723	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1OC	409326682	NBYVKTPBXZMOBX-MNBJERMJSA-N	500.982	6.410	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccccc1Cl	409371312	IBMPPBFVYACGFG-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(OCc3ccccc3)cc2)c1C	409373576	QTMXODCIBMTJDC-FMFFXOCNSA-N	503.602	6.599	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409374530	RYCVONGVJAYCKB-YVLHZVERSA-N	535.373	5.863	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCc1cccc2ccccc12	409391216	HZOCNNJUQPOQFL-FABQOPTDSA-N	568.471	6.905	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395921	UAORKCGEIXAESH-UHFFFAOYSA-N	755.803	7.742	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396146	CXVZOWMUQWWTPZ-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396389	OXWMOTFEPJLZCJ-UHFFFAOYSA-N	654.119	7.366	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(F)cc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409398178	RNWALIUUFYVDBB-UHFFFAOYSA-N	595.583	5.900	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(F)c4)c([N+](=O)[O-])c3)o2)cc1	409401167	GQLWMLHQLZJWGJ-QMRORBIVSA-N	617.033	7.310	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	939414	KBSUIWRLYIZRAP-GZTJUZNOSA-N	524.827	6.955	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	2188794	PEIDLAIKXUIJFD-QHCPKHFHSA-N	519.642	5.884	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)[nH]n1	2376598	GEVGZMHXOKKFAC-UVHMKAGCSA-N	525.790	5.541	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1	2739821	YMCQJCXQVWPKFS-LXISSDBLSA-N	585.531	6.426	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@@H](c3ccccc3Cl)Nc3c(Cl)cc(Cl)cc3[C@H]2[C@H]1Cl	8425543	MFHGWWLWCZKEAZ-KLQMWJPWSA-N	540.299	8.594	50	40	KKGB	
O=P(/C=C/c1ccc(/C=C/P(=O)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)c1ccccc1	8426871	GDDMSQNYNOLQOO-NBHCHVEOSA-N	530.544	7.656	50	40	KKGB	
N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1	8917323	AGPBYEIFTMMMJD-NDEPHWFRSA-N	508.961	6.356	50	40	KKGB	
O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)[C@H]1CC1(c1ccccc1)c1ccccc1	13775455	QXUPJSGPXXNNFQ-CWOMPOODSA-N	506.005	5.713	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	20347543	HJOSLNBZVHVYDJ-NDEPHWFRSA-N	508.647	5.956	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)c2C)cc1	28217210	YMWJSBFALNRWPJ-PPOKSSTKSA-N	519.693	5.484	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]12	34651264	QQPIYUDJYPYGNB-HWFRFQLBSA-N	503.605	7.180	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N/N=C/c1ccc([N+](=O)[O-])o1	53319231	MKDMUIWBUDOVSK-OKCVXOCRSA-N	526.936	6.253	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1	59101479	IOEDZIOWOUCHBU-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1c(Br)cc(Br)c(O)c1Br	97965307	FMHBNAYHYCVJFE-AUEPDCJTSA-N	541.037	5.526	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1	98001563	KGTFAZCFAXOXBY-XICOUIIWSA-N	607.460	6.734	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(N)=C(C#N)[C@]21C(=O)Nc2ccc(F)cc21	98007281	NWLXVYXDALNFFA-NDEPHWFRSA-N	593.109	5.670	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccccc1F)c1ccccc12	98008174	GSXREXREBCJWIG-UMSFTDKQSA-N	585.595	6.240	50	40	KKGB	
Cc1cc(C)c(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)c(C)c1	98048475	MRWBJDAYZUWYAT-AREMUKBSSA-N	530.093	7.064	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cccc(Br)c1	100049399	YBMCLACAJQTXFC-ALQBTCKLSA-N	600.469	5.075	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	100126835	LPYKJXCXBCROJI-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
Cc1cc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c(C)cc1Br	100395014	NMRCQAZVYBNJKU-KFYQUUCGSA-N	619.192	5.343	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)c1nc2ccccc2s1	101112348	UDLWYTKVUXEMEG-XLNRJJMWSA-N	537.670	5.998	50	40	KKGB	
CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C(O)CCCC3=N2)cc1	102509172	CYAVHFDFIBSHBJ-RUZDIDTESA-N	501.564	5.259	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)cc1	103878369	VBROZNBKWFFDHW-UVHMKAGCSA-N	560.775	6.042	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H](CCI)[C@@](C)(CCI)[C@@H]3CC[C@]12C	104131311	KXOSGSAMSSIDCR-AVAVJUCHSA-N	626.489	9.574	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)cc1Cl	105437515	QVHCRLCBUTWDLZ-XICOUIIWSA-N	598.124	6.726	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(I)cc1	106040297	XKIMEPPUKRWDIP-PDGQHHTCSA-N	552.441	6.056	50	40	KKGB	
CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341622	XRVCKYINKSJAQM-CYBMUJFWSA-N	878.330	13.016	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	150427414	DFQYBBGRGRMDAM-FXMZOFOKSA-N	743.992	7.237	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1Cl	150624771	UPKJRJKJUKJHKE-KPGMTVGESA-N	633.313	7.422	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(C(=O)O)cc1	164746236	PYUABUUGHUVIAJ-ZDLGFXPLSA-N	637.257	6.820	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795253	NJOKJQXODICYMG-RFZPGFLSSA-N	659.965	7.430	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1	408555330	XAPGUVYPVOIFNH-LICLKQGHSA-N	502.195	6.838	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1	408578800	BALNWIAXZRUGBI-LICLKQGHSA-N	567.686	7.005	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408579977	MEXHQHPRGAGGJG-LZYBPNLTSA-N	523.641	8.061	50	40	KKGB	
O=C(NNc1ccc(OCc2ccccc2Cl)c(Br)c1)[C@@H]1CC(=O)N(c2ccccc2)C1	408606055	LEXDMOJMSQSBKR-QGZVFWFLSA-N	514.807	5.178	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C	408611653	RKWUHTUSLWKCTA-IURWMYGYSA-N	546.933	5.082	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1	408612060	UGDIBVWJAOTAJR-MUFRIFMGSA-N	514.409	5.840	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408642006	LWVBNDPDEHCHBW-BDXSIMOUSA-N	617.121	5.156	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408643568	PTIYXZYUTZWNPH-NCYKPQTJSA-N	727.189	5.968	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	408643988	GQRSPRHRDOTENF-OPYAIIAOSA-N	539.818	5.545	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408678346	XJTSMFMJBPARFC-FMFFXOCNSA-N	527.068	6.691	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408681652	IABJPIYVTHNZOS-XVMGYKCHSA-N	635.567	5.982	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OC(C)C)c(I)c1	408710777	JZEGNQDGBAFDAD-LSFURLLWSA-N	643.057	5.218	50	40	KKGB	
Cc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)c1	408718035	CYWCGLPTGHFXCW-RPPGKUMJSA-N	506.183	6.047	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408724636	CTMUXXBJRFBYCN-BKUYFWCQSA-N	550.409	6.443	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2-c2ccccc2)cc1	408740194	AKVNTNBXNBVGLZ-JBFMKSPFSA-N	578.716	8.381	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408745485	SQPBVBKMOOSNKY-UNOMPAQXSA-N	522.355	5.881	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(I)cc1	408750048	KBUWDQGEODQLAB-UZWMFBFFSA-N	606.460	5.655	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(Br)c1OCC	408765754	XQQIWMWRZKASTE-ZROIWOOFSA-N	541.183	5.397	50	40	KKGB	
COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@@H]3C#N)c2C)sc2c1CCCC2	408773528	RFDZJTGSGJKRCG-SNVLIAKBSA-N	524.650	5.029	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1c(Cl)cccc1Cl	408774350	CEQCCUZHYQKKDR-WQRHYEAKSA-N	607.275	7.430	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1C	408777892	LFCIRIKDGRIMTG-MTJSOVHGSA-N	552.368	5.731	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc2c(c1)OCO2	408790902	UHGKXVRPJNTTOL-HAHDFKILSA-N	590.474	5.411	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1	408795851	NILBWKDAGCXYCW-DEDYPNTBSA-N	539.401	6.510	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC#N	408819821	SAUCPCNPRAVXRA-MNBJERMJSA-N	543.421	5.890	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408821345	GLFCNVVHBMQGLE-OEAKJJBVSA-N	638.345	8.468	50	40	KKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408834107	UJRAWGZOTPNTEE-CPNJWEJPSA-N	556.254	6.735	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(O)c(Br)c4)cc3)cs2)cc1	408839340	QWKPTXWFEJCTIO-KKMKTNMSSA-N	586.309	6.857	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408840295	AJJOHVAMVLRSAU-YLYVUXRMSA-N	745.866	9.258	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2cc(Cl)ccc2OC)cc1OC	408844888	XAEOUIKPFMMUQP-FABQOPTDSA-N	658.560	5.944	50	40	KKGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c1	408844991	DTTLHHAXPMBMFZ-UCMJSZAQSA-N	517.585	6.572	50	40	KKGB	
CCOc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408847183	PRUQINJAOWWMTL-LQNQUEJISA-N	675.308	6.825	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(F)cc1	408849328	ZKUJETOGWKADOM-LGJNPRDNSA-N	516.323	5.238	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)ccc1Br	408851260	WYYFCZDOYGWXQS-GATIEOLUSA-N	583.122	6.846	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408863802	ULPQHXKEKXGSIT-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(C(C)C)cc2)cc1	408868236	OONKONVVDLZLHC-JEPNHJGPSA-N	633.170	6.135	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1Cc1ccccc1F	408876364	OUWCNWALXCORPA-VXLYETTFSA-N	574.821	6.927	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)n1-c1ccc(Br)cc1	408877620	WIDXFYCIFVJAON-IPBVOBEMSA-N	609.333	6.368	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1Cc1cccc(F)c1	408879202	BFCRBQAGHBBSNM-RGVLZGJSSA-N	537.385	5.910	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1F	408881872	MVOHRVLJRICDOC-WKULSOCRSA-N	507.359	6.093	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408882185	LOFAKFHQUUGZML-IZYHBKOJSA-N	659.086	6.030	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(C)(=O)=O)cc1OC	408883661	QQJMQCHAOLYXSK-VVEOGCPPSA-N	675.385	5.277	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1Br	408888851	BUVDBUNUICTZDC-LICLKQGHSA-N	621.123	7.107	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc(C(C)(C)C)c1O	408889773	HAOVCYRAYBVABL-FABQOPTDSA-N	555.546	7.956	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408896138	PFXJZALAXYALQH-LZYBPNLTSA-N	621.669	6.906	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1cc(C)cc(C)c1	408897654	SJNHVKLYLMZRGY-ZMOGYAJESA-N	580.466	7.048	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc(C(C)(C)C)c1O	408898150	VCWHUVJRBUAXFH-XJECJHNESA-N	678.893	8.828	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1Br	408898735	MSCMRVUQRBKKCQ-VZUCSPMQSA-N	607.922	6.599	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1cccc(F)c1	408899846	RAXSRNTWKRFBHU-RQZCQDPDSA-N	546.311	5.703	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)c(OC)c1	408947137	ALZLUKJTOHFAFB-BUMGRRTCSA-N	701.574	5.910	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)c(OC)c1	408954906	NQPLLKBGSKKZOI-UIGQDENISA-N	807.436	5.370	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408969175	IPDCJVDJIDXTLE-GWSWIJHGSA-N	703.848	7.633	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1	408990705	LLOCGZZVIWYMDH-RCCKNPSSSA-N	577.647	7.154	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)c1ccccc1	409004008	WCDBQHDBVFXNLU-DQTSHQJUSA-N	578.880	6.562	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccccc1C	409009042	RXJTXJBRWPEIMF-MMFILIDRSA-N	634.736	7.910	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccc(Cl)cc2)cc(OCC)c1OCc1ccccc1Cl	409011169	DZCHHLXXHMTXMB-ONACOOQHSA-N	660.598	6.956	50	40	KKGB	
COc1cc(Br)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	409020130	ZMDRTROONVINGH-FAAXFWDVSA-N	589.314	5.222	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	409025851	YKGIWSCCKIWRJL-ZPOUEADKSA-N	599.540	6.498	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409040887	VBASUGDDCLQVRA-FADJLKOXSA-N	507.593	7.398	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)cc1	409048638	TYMKWHIPOCXUSH-LDADJPATSA-N	620.319	6.232	50	40	KKGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409063228	JCNSCPHVONBONX-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(F)cc1	409103303	GKXHCSSBLDRKLY-QHCPKHFHSA-N	525.330	5.123	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409120539	ZTRIWKZNVYTCDK-KPGMTVGESA-N	628.082	5.457	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccccc1C#N	409130558	IEOWCJLDMNUEST-MHZLTWQESA-N	652.533	5.523	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4C)c3C)cc2)cc1	409141079	UCDWREQHROWGDU-NDZAJKAJSA-N	514.651	5.300	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409146886	LQHYCLVNBSYDHY-STBIYBPSSA-N	544.073	5.100	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1OCC	409220018	XMBSSJLRMFRCQZ-FZKWRIDDSA-N	631.041	6.281	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccc(Cl)cc1	409235600	PFTROITZWNRWSC-KKMKTNMSSA-N	563.905	5.729	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1C#N	409243928	ZBPPALJXSQYOQT-JMIUGGIZSA-N	525.914	6.754	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccccc1Cl	409317601	QNHBWHIZMJEUCX-MUXKCCDJSA-N	503.382	5.752	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OCC	409319202	BXWHNONWPPNWTQ-LJUMEUDFSA-N	643.478	5.353	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)[C@H](C(=O)OC)C(=O)N1	409319256	COXSCCPGWOKTGV-RTWAWAEBSA-N	621.351	5.192	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)ccc1OCc1ccccc1	409319769	LMXXWVVUZLNJLA-CAQPMQTCSA-N	599.492	6.503	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(C(=O)O)c1	409372049	REDQVUGORCFUTA-OCKHKDLRSA-N	509.312	5.707	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409373081	LCZMKPJWTNIYLB-IBBHUPRXSA-N	580.410	5.540	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc2ccccc2c1	409373413	RUVRXJFVOAAUDV-MWLSYYOVSA-N	503.942	5.682	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCC(=O)Nc1ccccc1	409385306	JEXBMBGKRXOGFA-CCVNUDIWSA-N	597.447	5.752	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccccc1	409394863	GVHWVJUFXRSMOX-UHFFFAOYSA-N	730.638	8.759	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409395425	NKFZBNVYBDVKRA-UHFFFAOYSA-N	582.410	6.309	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409396392	YCIQSPDVPDEENE-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396534	VZHFQDSFXKFAOA-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396618	ZFHDBLWSQIGCCV-UHFFFAOYSA-N	676.125	7.957	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(C)cc2c1-c1ccccc1	409397521	KSNBAGZPCDGIEL-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397902	PHMFWZPDUIWIGX-UHFFFAOYSA-N	661.350	7.742	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccc(F)cc3)o2)cc1	409401556	HNABEFBZJDBCLJ-FZKWRIDDSA-N	537.591	6.748	50	40	KKGB	
CCOC(=O)COc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409403236	MFIXCNRWCWBBEC-UHIZKJEFSA-N	658.933	6.396	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409405911	VGJQMUKEXIZWNU-UKFZFBQRSA-N	673.358	6.495	50	40	KKGB	
COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@@H](C)CCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2	1777699041	ZMOVORWFEGTIJA-PGIUERSLSA-N	967.557	5.062	50	40	KKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCN(Cc4ccccc4)CC3)N=C3CCCC(O)=C32)cc1	1275771	HMRYRIRHEDSYPG-MUUNZHRXSA-N	512.679	5.342	50	40	KKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CCCC2	1805804	IWCRXXQLKGSYAE-JLHYYAGUSA-N	534.943	6.891	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)ccc1OC(=O)c1ccccc1Cl	2052906	ZTNQYNSFBOONMO-CCVNUDIWSA-N	501.366	5.449	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(Cl)cc1	4196354	KLYVEFWMWSZUJB-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)N3CCOCC3)c2-c2ccccc2)cc1	19877242	HGKOQERFPPOGJQ-SZXQPVLSSA-N	503.602	5.976	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccccc2)N1	20347857	WVTZPIMLDBGUFF-MHZLTWQESA-N	515.034	6.395	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1	59201938	VIMDWXMEPIHVKL-HMAPJEAMSA-N	505.412	6.589	50	40	KKGB	
O=C(CCC(=O)Nc1ccccc1C(F)(F)F)N/N=C1C(=N\NC(=O)CCC(=O)Nc2ccccc2C(F)(F)F)\[C@H](c2ccc3c(c2)OCO3)Oc2ccccc2\1	95549384	BAZWYQPBNWINRE-NXNKMOOVSA-N	796.681	6.717	50	40	KKGB	
O=S(=O)(/N=C1\C(Cl)=C(Cl)/C(=N/S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cl)[C@@H]1Cl)c1ccc(Cl)cc1	97957685	HTQGXAAIKZRHNG-XDWMQNLLSA-N	595.140	5.871	50	40	KKGB	
Cc1ccc(OCCOCCOc2ccccc2/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)s2)cc1	97968480	AASQRVGXVKMPSB-CLCOLTQESA-N	526.618	5.637	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(COc4ccc(Br)cc4)o3)o2)cc1	97968905	TWTLDZQFSGZOJJ-RWPZCVJISA-N	537.366	5.822	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3nc4ccccc4s3)=C(C)N2)c1	98048548	HCYQQMBKTGQGOI-RUZDIDTESA-N	557.657	5.604	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccccc2C)cc1	100123223	UYAZMWGBFSFAAX-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C1\C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccc(Br)cc21	101101603	QOFRCDRFTLFTNL-PWTALVQJSA-N	523.475	5.096	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I	101717453	QBGYALACYXHORV-AUWJEWJLSA-N	604.613	5.968	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	102810023	VHBRGVAAXXCEJS-GDLZYMKVSA-N	554.691	6.766	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OC)c(Br)c1	102988709	ODGOTKQKBYLFMA-WQRHYEAKSA-N	525.424	6.217	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889432	IOVAXLKAUKEQLO-SXGWCWSVSA-N	536.640	7.534	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)S(=O)(=O)c2ccccc2)cc1	103899185	MSTBXAVWJCIQRO-KEIPNQJHSA-N	622.143	6.062	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1ccc(Br)cc1	105115928	QJLMLIMGMOVGLP-GZTJUZNOSA-N	542.773	6.144	50	40	KKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc21	208462892	SBFTVMRGPSQYRT-KIBLKLHPSA-N	541.671	5.966	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1cccc(Br)c1	211040167	RHZJAXHHKISBGI-WGOQTCKBSA-N	534.863	5.223	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408527087	KMJFLFPDQTXVLM-KKMKTNMSSA-N	585.225	5.715	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	408566677	IIWYKDQEUQCHBK-MUFRIFMGSA-N	652.314	6.465	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1c(F)cccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408602717	FJVUATLXSUQSIQ-CQSZACIVSA-N	522.791	5.861	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)cc1Cl	408603299	GFIYCKWWHRHUKM-IBGZPJMESA-N	528.436	5.694	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1	408611623	REZPUGVNZJVDBW-XODNFHPESA-N	520.800	5.713	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CC2=O)cc1	408612769	YQHRVMUAXIQQKV-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(Oc2ccccc2)cc1	408680127	DFJVLTPSPIKLIP-NGSHPTGOSA-N	567.425	5.389	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408724680	GSNAJCNTJFERGC-PTAJPZQNSA-N	589.155	7.374	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408725627	MWBKVXVXXFJORD-UNOMPAQXSA-N	599.381	5.731	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)Nc1ccc2ccccc2c1	408751850	CUJZZHQQMVYJKI-PXLXIMEGSA-N	526.390	6.165	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408769602	WOXBUWWZKIITNV-JCMHNJIXSA-N	593.478	6.727	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408776161	URACLTQAYTYMNI-QPEQYQDCSA-N	556.711	7.912	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408788614	LPKYJVUKFHBZMK-YBFXNURJSA-N	668.700	7.236	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408788916	GLIKTEJUSFUYBX-WSDLNYQXSA-N	781.215	8.906	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1cccc(C)c1	408794322	IUNJTCXWSMDDOQ-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408795437	MHPLSMRECISEBP-UDWIEESQSA-N	535.350	5.059	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)cc2)c1	408798196	VEKSJLNRGXRLMZ-KGENOOAVSA-N	508.359	6.033	50	40	KKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408805969	DENMSTSTGZRPJQ-UYZQIFHOSA-N	676.336	7.230	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408813737	YKMUWGVEYPGPIR-KGENOOAVSA-N	531.837	7.689	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1	408814352	GWVPXHLFJSZLCV-QRQIAZFYSA-N	516.601	5.777	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2)cc1	408831949	HWWHXENDXKRANN-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1	408839956	DPQLKLTYBRMACN-ALQBTCKLSA-N	625.534	5.034	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1	408840404	BEJVKVNMCIXURM-QNVXDBMFSA-N	697.394	8.215	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408841565	JVCXHKOZOURKBE-RPUDKEGQSA-N	602.469	7.908	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	408844769	UUZQLXGKQJYKGA-RVDKCFQWSA-N	705.327	8.089	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1C	408846190	PFNQKSSYETUYPA-JCMHNJIXSA-N	628.965	7.793	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408852234	FBQORQRFNXXBSD-UNOMPAQXSA-N	527.493	5.051	50	40	KKGB	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408853901	ZKBUUKPKKTXWCW-STZFKDTASA-N	512.031	5.003	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc2ccccc2c1	408855585	GOSANKLMFDGUSZ-ZMGVVAQMSA-N	622.313	7.853	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1	408860605	ZXIPZRXRFWKUCG-DPNNOFEESA-N	612.535	6.235	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408863459	SAEUNAPNABOPNC-XKJRVUDJSA-N	694.229	6.022	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1ccccc1Cl	408875535	JUQFURHDWCZCIC-KXJVLWGQSA-N	552.840	5.809	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1ccccc1	408878553	AKVUADNTHQQHIG-YBFXNURJSA-N	552.381	5.889	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N\NC(=O)c5ccc(Cl)cc5Cl)(c5ccccc54)[C@H]3C2=O)cc1	408881218	IMTBKXRWVMUESZ-NAMQKWHYSA-N	580.471	6.268	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc(C(C)(C)C)c1O	408900316	VBWHYKDTYPMTSZ-FDAWAROLSA-N	562.623	6.679	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OCC	408904853	PNPAHIRTYMQXAY-FMCGGJTJSA-N	509.198	5.086	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OS(=O)(=O)c1ccc(OC)cc1	408921364	ANMGNWOUQNSDCV-NBVRZTHBSA-N	557.422	5.170	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)c(OCC)c1	408945436	KRWOCNPQDGPTAV-SSEXGKCCSA-N	681.609	5.312	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)c(OC)c1	408947121	AJVYKYYEASQTHG-FAQSDZBQSA-N	685.959	5.410	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(Br)c1OCc1cccc2ccccc12	408954131	NAZZSPPNAZZYAI-LQNQUEJISA-N	517.423	6.652	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408955434	ORJCVVYBHSTSKH-MXAYSNPKSA-N	565.205	5.405	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cccc(C(F)(F)F)c1	408963113	MRQXSTZTQOSJBG-IPBVOBEMSA-N	512.271	6.263	50	40	KKGB	
COc1cccc(OCCOc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)c1	408969153	IDDCCDCYAQZMDW-CPNJWEJPSA-N	523.383	5.470	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408970283	FGXFQCXBJFZWFF-QRECDSSUSA-N	586.516	5.826	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408981812	CQYVXWNXYSJDCG-JMIUGGIZSA-N	590.732	8.571	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccccc2)cc1	409002658	OYMPFNFXPMGUJD-GQCRFCPSSA-N	521.642	5.861	50	40	KKGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1	409013901	OJOPINNUUSFIDS-LITAXMHPSA-N	541.183	5.741	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1ccc(O)cc1	409023054	GJLZHZCNVNRMMJ-LICLKQGHSA-N	528.200	6.042	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Br)c1OCc1ccccc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409038241	FASMATSLOALLMT-KVAAJVFYSA-N	605.319	8.314	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	409053957	FBBLTKAFUAKPLN-BRJLIKDPSA-N	502.752	5.662	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OCc1ccc(Cl)cc1Cl	409055068	ICLYEFYWVISFGH-NSKAYECMSA-N	616.195	5.563	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)c1nc2ccccc2o1	409071703	HYMSMCQXYHBXSA-RVDMUPIBSA-N	515.772	6.076	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409080711	MJBHTZIYZBQOBV-IPBVOBEMSA-N	664.121	6.808	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409089296	ZYFBGVJROGRJEY-DEDYPNTBSA-N	537.494	6.997	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1)Nc1ccc(Cl)cc1Cl	409166589	FIUFPLGJJLEOIS-IPBVOBEMSA-N	554.217	5.407	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	409185032	PXOFTUFBWAFSOW-RQRWGXNHSA-N	689.112	6.039	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1C#N)C(=O)NC1CCCC1	409193249	HWNJGKVQCMNDDB-NVMNQCDNSA-N	623.232	5.312	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Cl)cc1	409209910	ICZLILADSCSMFA-ODLFYWEKSA-N	513.775	7.053	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)n1	409228651	CCWLPVIZDICUQP-NSKAYECMSA-N	692.748	5.777	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(I)cc1/C=N\NC(=O)Cc1ccc(F)cc1	409237834	XMFHEXMOTDODHR-QDTIIGTASA-N	639.206	5.178	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Cl)cc1Cl	409248982	IAKMYKVCBUZUSD-NVMNQCDNSA-N	528.823	6.827	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409260898	YFYUZXSJRBBZAZ-NUJZUDFISA-N	650.311	5.851	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1OCC	409312912	NBROGXKMWVLXJS-MWLSYYOVSA-N	527.390	5.895	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1OCC	409325514	ZJQGDESJUDANFH-RHANQZHGSA-N	541.442	5.988	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	409382533	SMYMITPWLOQVQW-LDADJPATSA-N	508.328	5.448	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Br)cc1	409402656	KKRZVGBFEOWIGZ-WBIBEUCMSA-N	655.549	7.118	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(Br)cc3)o2)cc1	409406295	BJQKRNDWINCHHE-HQDYHJHZSA-N	657.477	6.920	50	40	KKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409406610	XGLMEMMJFYKDEG-BIKKEBSBSA-N	583.688	8.071	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(Br)cc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409406859	DIYGVJHUHZFJQG-HHGZQQQNSA-N	642.934	6.776	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)c(I)c3)o2)cc1	409407007	YMKLGTHEVREETN-AEUUOICLSA-N	663.487	7.353	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12	1529547923	RPWFSVFMIVUWSZ-BNWCFHQTSA-N	616.143	5.228	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	1529548011	VJBWJXFFZNWBGB-JYALLGCPSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	1529549160	TZSDTEQSWHODGJ-DBXYLJAYSA-N	797.499	6.461	50	40	KKGB	
COc1cc(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC(C)=O	1531386428	SNMNJLDQEWSBRV-MNDYBZJGSA-N	580.435	5.726	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)sc2c1CCCC2	1785179	ATPBGMAQVJSVBT-QUQJVCFCSA-N	588.513	6.280	50	40	KKGB	
O=[N+]([O-])c1ccc(OP(=O)(c2ccccc2)c2ccccc2)c(CP(=O)(c2ccccc2)c2ccccc2)c1	1845539	OUTJZCGCXYVNAZ-UHFFFAOYSA-N	553.491	6.417	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	1870177	WLFMZIXIJGWRNQ-GPSDDGMOSA-N	502.527	5.107	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Br)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1900441	VDIHUHOUHQKCHI-OCSSWDANSA-N	562.537	6.545	50	40	KKGB	
N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1	2408714	YCSADTQVYXATCG-SFQUDFHCSA-N	532.792	5.785	50	40	KKGB	
O=C(N/N=C/c1cccc(O)c1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1	3765370	FERUEHRYMUVWQK-VFLNYLIXSA-N	507.497	5.637	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)c1	8426162	QPWNCYHOIVAURW-VZQSUIEHSA-N	516.406	7.195	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1cccc2ccccc12	8843242	PNAKWFZGKMTDRO-STKMKYKTSA-N	500.554	5.445	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	13597434	XPLYRNXFDKVZMT-OWJYGESUSA-N	508.430	6.367	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	19940131	CIUBYZXLVSUZEU-VWLOTQADSA-N	500.649	5.763	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2CN(c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1	35682046	ROBZDLAGDCCYLH-DEOSSOPVSA-N	513.881	7.371	50	40	KKGB	
CC(C)COC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1	40476993	IQNMYUPVUSFZBQ-QNGOZBTKSA-N	521.598	6.859	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	59856658	GUUSAULWPRGGIQ-OGLMXYFKSA-N	533.481	5.185	50	40	KKGB	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	98001664	CKBYNNXNRNCWGA-KBKYJPHKSA-N	611.630	5.522	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	98048666	QOUBWZZRARWNHT-RUZDIDTESA-N	587.023	6.967	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1	100063226	RJDMYLRWFUDLAS-AFUMVMLFSA-N	549.206	5.326	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1cc(Cl)ccc1Cl	100120417	VQSVCUDUBWSEQS-JEPNHJGPSA-N	574.556	6.483	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	100123776	KPCKLYWRLLPJRN-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc(Br)c1O	100328743	NAKUVAKOLWDZFB-PPDIBHTLSA-N	559.873	5.457	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	100332266	OXBSGEPNXVKLJK-KBVAKVRCSA-N	626.091	5.019	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1	100351131	FGOBYZRTFMUXJJ-HPNXWYHWSA-N	627.166	6.916	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	100397017	SDFRSQOWTINFSZ-SEBMTOOBSA-N	557.053	7.542	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)ccc1OCc1ccccc1	100879146	LJERQWQDCKZGQT-SRZZPIQSSA-N	550.467	7.174	50	40	KKGB	
FC(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341918	RVQKUPGEVJIACQ-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1	150467373	WHXSQQAHFXGDPO-KCSSXMTESA-N	626.960	6.579	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(I)c1OCc1cccc2ccccc12	150477520	KLKFNPGVFCQAAO-CIAFOILYSA-N	698.311	7.638	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164738440	LZWNOJOBWHCTOB-NVNXTCNLSA-N	753.987	8.090	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c(C)c1	216040729	WUNSNIVOMXXERD-QDTIIGTASA-N	564.705	6.754	50	40	KKGB	
Cc1cc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)c(C)cc1Br	226385245	NMRCQAZVYBNJKU-GKVPRHBBSA-N	619.192	5.343	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br	408537181	CNIULLOCEITRKV-ZHZULCJRSA-N	548.319	7.805	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc2ccccc2c1	408549583	VEWSCYFLKKOESX-YVNNLAQVSA-N	564.233	7.916	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N2C(=N1)SC(C#N)=C2N	408606109	OBMMIULKYIHCLG-QFIPXVFZSA-N	532.969	5.532	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccc([N+](=O)[O-])cc1	408723347	SDIPQJMALRSXEW-VBQLZTBCSA-N	576.996	5.215	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408726579	TWEQCQFAQPJDFQ-NDENLUEZSA-N	583.382	6.031	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccccc1Cl	408743135	DWBCPQSVWVONOJ-YVLHZVERSA-N	623.672	6.840	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)c1	408745272	QTCDRUCHSPKSNH-ZDLGFXPLSA-N	544.218	6.784	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408755567	VQWZYGKQXBUXQW-SXGWCWSVSA-N	596.286	6.386	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1cccc(Br)c1	408760837	AGCYCBGCQKQSBJ-SOFYXZRVSA-N	682.106	6.670	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1)Nc1ccccc1Cl	408776110	UFRDBSXDHDCWSG-FDAWAROLSA-N	530.049	6.414	50	40	KKGB	
COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I	408790528	PZGVPWNPSMZQAF-IZZDOVSWSA-N	564.548	5.103	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)c1	408792653	BTKGKNCILZSOPR-VXLYETTFSA-N	577.249	7.340	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792878	LYKZWRRDHYBLFF-VCHYOVAHSA-N	586.236	5.800	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccccc1Cl	408793356	ONHACJANYSLBAW-WOJGMQOQSA-N	637.699	7.230	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(Br)cc1	408794357	ICPFNVWHHQHHEY-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1C#N	408796893	ZMHGYZCYWODQGA-VXLYETTFSA-N	522.786	6.107	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1cccc2ccccc12	408796983	QNQYTQDOMFOFMS-HYARGMPZSA-N	543.417	6.831	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	408809904	SOZYRIRPJTYXDF-CPNJWEJPSA-N	534.841	6.968	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408820398	VUGOFYNOCAJGCN-QRQIAZFYSA-N	567.483	7.142	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)cc1	408820664	XXNBYYNNPAMOPF-NHDPSOOVSA-N	525.830	6.222	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	408826437	GQOCBQSECOTCDQ-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(Br)cc1	408834958	WIDSNTRHVIMFRY-BUVRLJJBSA-N	652.372	8.858	50	40	KKGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408835784	ZGTHRKONSGLKGL-CAQPMQTCSA-N	609.104	5.120	50	40	KKGB	
O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408839552	UIBRLJMYCNCYHM-AWNIVKPZSA-N	554.853	6.044	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5ccc6ccccc6c5)c(Cl)c4)cc3)cs2)cc1	408840081	AWIWWVIPFTWKMO-OEPDXVHDSA-N	637.592	9.665	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1	408840538	ZEBLEUOUCHNQNC-ZCTHSVRISA-N	507.546	5.239	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)cc1	408845920	PWPULIFCFWYYHX-KCSSXMTESA-N	635.312	6.376	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408852869	WRYRYYDREKKABL-PQKVGRGHSA-N	693.439	9.474	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408854640	AOYFMWGLYZCCIA-CKJBABAKSA-N	614.702	7.831	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	408857363	NWXCDXXRZZBKCV-HNSNBQBZSA-N	638.356	6.576	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408858312	OEXBSNAZYVHODM-FADJLKOXSA-N	553.106	6.001	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	408863330	LWQNHKBDYIWIFE-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Oc2ccccc2)cc1	408863450	MTYGPFUPIQFNMA-PPOKSSTKSA-N	579.678	6.127	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408869418	DDOCHINDNGQYAM-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccccc1	408874174	ZSBKGKIMXNHWEI-KCSSXMTESA-N	583.541	6.309	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408878837	CFWQXWHCRWKXQT-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1	408883409	UMOITOOZEMKUDQ-MUFRIFMGSA-N	558.443	5.608	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408894016	IDGZKHKBORNKKU-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OC(=O)c2cccc3ccccc23)c(OC)c1	408899889	RMOFEGLNVFRVIJ-XDHOZWIPSA-N	602.397	6.293	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2)c(OCC)c1	408951524	ULXWXFKUZLBSSX-LJAQVGFWSA-N	728.609	5.154	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1F	408953243	XFCPNCUFIAUAQQ-MHZLTWQESA-N	734.442	5.815	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)c(OC)c1	408957322	UDHBBTXPQBIHKC-RFYYFMECSA-N	730.012	5.809	50	40	KKGB	
C=CCc1ccccc1OCCOc1c(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	408970406	HMFIKKSLTXNYMG-JCMHNJIXSA-N	535.394	6.616	50	40	KKGB	
COc1ccc(OC)c(COc2ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)cc2)c1	408981593	VXRHDJRFZQSIAK-FZEGLUMNSA-N	587.698	5.151	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)NCc4ccco4)cc3[N+](=O)[O-])sc2c1	408989012	GNPZMNKGTNMGIE-MHWRWJLKSA-N	506.565	5.571	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1	408995353	BPZXHPTXQUSBDP-VTNSRFBWSA-N	651.311	6.456	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)c1	408995430	CPRMUOCSZHHDNA-ZQKNPJFDSA-N	582.454	6.393	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccccc1Br	408996539	PXDXUNZKXKCXRI-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1	409057583	QAUQCGNHVSRQMH-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1	409070441	XPBZAJHITUSDIA-SFQUDFHCSA-N	547.416	5.714	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)cc2c1	409190696	VGNFOEQSODNBPG-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc(I)cc1	409222867	DMSKUTCZWCYKHP-DICXZTSXSA-N	532.353	5.101	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc(OC)c1OC	409223933	JJJHYWVQLIYAGF-UHFFFAOYSA-N	621.568	5.967	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1cccc(F)c1	409234302	KPVMBTTVWPOVNF-HAHDFKILSA-N	537.429	6.222	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)NCc1ccccc1	409254107	CUHARHSODYKQCC-YBFXNURJSA-N	569.253	5.452	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1OCc1ccc(Br)cc1	409265097	NQKKMMUQUUSPHD-ZVHZXABRSA-N	509.491	5.463	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)c1C	409269212	HDJDERNQSVPQNZ-ZDLGFXPLSA-N	617.725	7.045	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)ccc1OC	409305985	XYGHWZGOMHRIOK-NUJZUDFISA-N	546.407	5.191	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)NC(=O)[C@H]2C(=O)OC)cc1Cl	409306217	ZBUHGPMEMZWERV-RTWAWAEBSA-N	646.869	5.630	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)ccc1OCc1ccccc1	409314035	DRUOLNNDOWISTR-KYHGBAKBSA-N	518.972	6.410	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1OC	409314048	JXFRCAMAIYUCTE-ZMFRSBBQSA-N	503.780	5.463	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCc1ccc(Cl)cc1	409320031	BABSIHORHPJQDI-HQDYHJHZSA-N	670.931	7.274	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1OCC	409322698	KOBLWDURQMADAO-QQXSKIMKSA-N	506.471	5.023	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	409358954	HYZGMBGIPAPGDL-WKIKZPBSSA-N	550.678	6.445	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2Br)c1	409371242	DJTPCEBSTROOKJ-OCKHKDLRSA-N	528.200	7.071	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409376185	VPNMYJDHJRQKTG-MOSHPQCFSA-N	608.445	5.206	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409391250	IIBNUTQCWPPZBT-JAIQZWGSSA-N	520.416	7.259	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)cc1	409395079	JOUHDSMFFQFRQG-UHFFFAOYSA-N	670.869	8.261	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409395753	RICZWWBFBJNRNY-UHFFFAOYSA-N	812.083	9.254	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(OC)cc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409396780	BCGRLDDMUADAPV-UHFFFAOYSA-N	642.108	7.286	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397795	ODCCYLTYOVSDTI-UHFFFAOYSA-N	555.993	7.009	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397888	PDAKXGLEZRHHPV-UHFFFAOYSA-N	615.517	7.590	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1	409398136	RCQPWYPXTIBDGT-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccc(C)cc1	409402717	KRIRTKNEYUKOBF-DBSPGSINSA-N	620.706	6.755	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OC(C)C)o2)cc1	409403912	OLTWNQKDLFQDPS-UHBFCERESA-N	550.453	6.580	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)N4CCOCC4)c(Br)c3)o2)cc1	409405332	SVIPHHOXTVYHJR-DLCNMLRHSA-N	714.411	5.793	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1	1529548721	MTTIXPCJZIQTEI-QNDPHOHFSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccccc1C#N	1529549369	XGJHQRFWAQOQHR-TXWDNMQDSA-N	835.462	5.231	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C(Cl)=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1874651	WBEREZAURONLJW-VFASASAHSA-N	560.123	6.714	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(Cl)c(Cl)c1	2128496	ZBUAIHKKIRPCFF-VWLOTQADSA-N	511.361	5.918	50	40	KKGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)nc2ccccc2c1=O	2236252	XYEFHNOVDKPGAC-BIZUNTBRSA-N	534.641	5.516	50	40	KKGB	
Cc1cc(C)cc(P(CCP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1	2381442	UKPCJWKHOPODFP-UHFFFAOYSA-N	510.642	7.720	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1	2670784	ROKBBGWZCRPWJS-MHWRWJLKSA-N	525.373	6.755	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)ccc1OCc1ccc(Cl)cc1Cl	3343260	GGROCNOIRHNXNB-KVSWJAHQSA-N	519.837	7.213	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	6089269	MTKAAAUEKRVCOB-QHCPKHFHSA-N	521.042	5.293	50	40	KKGB	
CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1	8384802	FUUONQWXFLFCBI-VZZDOBOISA-N	553.460	6.763	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	8398937	BDLXJMNPEYNZCT-UHFFFAOYSA-N	500.382	5.174	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)OCc3ccccc3C#N)c2)o1)c1nc2ccccc2[nH]1	9187280	ZJFYWLNKAUVIAD-FYJGNVAPSA-N	504.933	6.769	50	40	KKGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	20248828	FIEWWZLPOUHVFB-RPPGKUMJSA-N	504.395	5.864	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	20764830	AKZKPSPDGDETBL-IPPBACCNSA-N	521.828	6.787	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1cccc(Cl)c1	59224675	ZTDKRTGOCGFZLX-VCHYOVAHSA-N	512.349	6.425	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)c4ccc(F)cc4)c3C)sc3c2CCCC3)cc1	59247979	RLIOWHORTAROPB-ULJHMMPZSA-N	509.650	7.798	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1cccc(I)c1	59473208	VBJOYLGJTXFVJP-KOEQRZSOSA-N	500.405	5.879	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	59856228	OQTGELCBUIYMIP-MWAVMZGNSA-N	562.489	5.999	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	97950434	ASTWLQSXCZZTSP-SANMLTNESA-N	533.053	6.256	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(Br)cc1	97962164	LAEYUQBMHDWTGG-BIZUNTBRSA-N	573.443	6.263	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1	97980765	KKXASNZOGLSIRY-QXUDOOCXSA-N	524.584	5.922	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1ccc(Cl)cc1	97980803	ILJRCVZVZUWJOK-DICXZTSXSA-N	550.678	6.906	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)OCc3ccccc3)=C(C)N2)cc1	98043581	XYCKCDXGHXXARY-MUUNZHRXSA-N	560.075	6.160	50	40	KKGB	
N#CC1=C(N)OC2=C([C@@H]1c1ccc(Br)cc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12	100032425	PZCVUGGCPQIJSU-JOCHJYFZSA-N	538.398	5.115	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1C	100102268	ZNKKCVKEZMWRCH-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccc(C)s1	100110880	ICHIRCFPZGZKOF-AREMUKBSSA-N	609.571	6.534	50	40	KKGB	
CC(C)CN(CC(C)C)CN1C(=O)/C(=N\NC(=O)c2ccc(Cl)cc2Cl)c2cc(Br)ccc21	101559678	FEFGJEICBQDFIK-SLMZUGIISA-N	554.316	5.808	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	102077139	UGKHXOVALLJLCC-VYUMYAIBSA-N	563.293	7.365	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1	102956380	KOHDIFMKHXSXMA-PZSRYKBRSA-N	536.338	5.196	50	40	KKGB	
COC(=O)[C@@]1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C)/C(=N\NC(N)=O)C1	104074160	UEHPPJREDWXIJQ-GSDDMLNMSA-N	581.798	6.447	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)NCCc3ccc(OC)c(OC)c3)N=C3CC(C)(C)CC(O)=C32)cc1	104076680	NWTWNMZCDJNEKU-NDEPHWFRSA-N	561.704	5.710	50	40	KKGB	
c1ccc([PH](Cc2ccc(C[PH](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1	104387529	IKEBILGQHLFMCL-UHFFFAOYSA-N	630.752	8.139	50	40	KKGB	
COc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)s2)cc1	104478492	SMTCSDBPHLVRQL-UHFFFAOYSA-N	528.637	7.105	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	112247410	DAXJGLVKMDYDTE-KBKYJPHKSA-N	582.090	5.899	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341804	YZELJIDXBHAHQK-GOSISDBHSA-N	948.465	14.967	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCc1cccc2ccccc12	408535685	ZPXUAKSLLLFRRZ-UCQKPKSFSA-N	610.289	8.249	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543178	PXOSZBKCOMDJOB-QNKGDIEWSA-N	521.617	5.817	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408549897	BCIYGHXBFROXSN-RQZCQDPDSA-N	570.871	7.178	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408551881	GSUHFZZRLFSEHW-OQLLNIDSSA-N	516.768	5.916	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408552364	SAFUXCIGBCJPDM-UUYOSTAYSA-N	531.381	6.832	50	40	KKGB	
Cc1nc(-c2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)cc2)cs1	408552991	MKCKRTDOPRWGAJ-DBFSUHOCSA-N	539.444	6.207	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OCc1ccc(C)cc1	408554228	QXMXUBUQVJVZEH-BUVRLJJBSA-N	523.658	6.669	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccccc1F	408567575	FRNUJFSLJPYWEA-IPPBACCNSA-N	638.524	6.026	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408567712	GEBJHEFOFCXRFN-MFOYZWKCSA-N	537.345	6.415	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Br)cc1	408567713	PJOHGRJSEHMGDA-ZMFRSBBQSA-N	577.229	5.861	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408579643	IYJANHDTMPIJDZ-XDHOZWIPSA-N	532.843	6.642	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408604241	HUJZRDCWTSJNLP-OAHLLOKOSA-N	534.827	5.731	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408669455	HANQGXBSCNNUPX-ZYGGUILKSA-N	554.666	5.327	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@H](Br)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Br)cc1	408676050	CSHRSYHCUKPVGM-XNMGPUDCSA-N	652.295	7.154	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408724836	BJRPETHLANLZIO-XICOUIIWSA-N	668.237	6.784	50	40	KKGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC	408725186	IDCWGCYHWFODMV-ATVHPVEESA-N	520.367	5.423	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1I	408742036	MOXXMISRQXPZSK-QNKGDIEWSA-N	597.456	7.188	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)ccc1I	408745886	AQBRVWMAVIGPBU-FJEPWZHXSA-N	600.840	6.458	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)NCc1ccccc1	408746684	FROAAYXBXNAVNP-FBHDLOMBSA-N	598.238	5.728	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)ccc1I	408748178	ZNZIOZAUHDJWOP-LUOAPIJWSA-N	589.644	6.603	50	40	KKGB	
N#C/C(=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408756539	WADQORDSAXMWHD-PYCFMQQDSA-N	547.408	7.520	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1I	408757621	AYGDUTAVGVPFAJ-PDGQHHTCSA-N	559.201	6.178	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(Br)c1	408764548	UOLMZGKCIGDGOU-BKUYFWCQSA-N	562.261	7.489	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1	408766120	PALWKGOZFAISJY-KGENOOAVSA-N	660.486	5.488	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1	408771588	IBEWJUGWAHEUDI-CHHVJCJISA-N	559.629	5.718	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1cccc(F)c1	408796279	ORHNHEXUOCYPIM-KEBDBYFISA-N	509.375	6.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1cccc(C)c1	408799368	YUVUAPKTQQOTPZ-SRZZPIQSSA-N	539.857	7.243	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4cccc(Cl)c4C)c3C)sc3c2CCCC3)cc1	408812043	NJZISGPTJIWWHD-ULJHMMPZSA-N	583.157	8.103	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1	408820914	AKHJEYAFDPDOLK-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408821000	BFSFOQAGWQMUDA-WSDLNYQXSA-N	719.790	8.964	50	40	KKGB	
CC(C)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408824119	HCCBFNBHSCNZLQ-FZPRHHONSA-N	627.550	6.190	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408824818	ADCLBMDTDBYDHG-ALQBTCKLSA-N	651.141	5.029	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4)cc3)cc2)cc1	408829414	NYALIRZJJVZKMC-NLRVBDNBSA-N	509.005	7.352	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1	408830378	MLYFSHHTSTZHRK-XICOUIIWSA-N	614.123	6.426	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408836271	ZXBIEDYSYSEKLL-WSDLNYQXSA-N	628.339	9.012	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccc(Br)cc3/C=N/NC(=O)c3ccc(NC(=O)c4sc5cc(Br)ccc5c4Cl)cc3)sc2c1	408839071	MMLHUKAHJAYHGV-DVRIZHICSA-N	816.380	10.492	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408840063	ASTJIHUGSZQAMP-KBVAKVRCSA-N	591.531	7.352	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408841368	IOLNGZHEUQBTAY-AMVVHIIESA-N	555.538	6.086	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc(Br)cc1	408858487	SJZJSADCWKLZMM-YBFXNURJSA-N	649.177	7.806	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408858848	QFKSSFSOWRJMEI-RQXXSLPSSA-N	654.188	7.477	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1OC	408862790	JDRZPCCJEICLGV-WKULSOCRSA-N	627.344	5.675	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3F)c(OCC)c2)cc1	408867872	OGNKYNJXQTYNOI-DEDYPNTBSA-N	523.402	6.522	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1c(C)ccc2ccccc12	408869710	TXIBJGSKEQKPIZ-CIAFOILYSA-N	595.415	8.063	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1ccccc1	408877796	WZERESAWRPNABY-WSDLNYQXSA-N	598.437	5.509	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408880349	HLODAAYLWDKVHA-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Br)C(=O)Nc1ccc(Br)cc1	408887502	RENJNNZARSHOCJ-QGOAFFKASA-N	512.201	6.336	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408896424	RBJRGNBASUWOJW-CPNJWEJPSA-N	552.255	8.034	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Br)c1	408897147	WFWPACPMXVFUBW-SRZZPIQSSA-N	509.831	7.152	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2Br)cc1	408900205	UBKUAJGQKBUIHQ-XSFVSMFZSA-N	507.384	5.981	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1cccc(C(=O)O)c1	408905322	XEVBBGMPYHKVRA-QDTIIGTASA-N	560.832	6.242	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	408923770	JUAQQYPAYIGLFF-LZYBPNLTSA-N	536.200	6.551	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408940295	CCIMEEKXIZSCTJ-HHHXNRCGSA-N	785.342	6.982	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C#N)cc2)c(OCC)c1	408940581	CNAOCYFJYUXHHI-PMERELPUSA-N	662.168	5.074	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408949517	FPRIXVBYPWPFBP-NAWMDJKCSA-N	799.300	6.826	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1cccc(C(F)(F)F)c1	408963689	OLQCCSYWJGBGRD-VPUKRXIYSA-N	574.166	6.712	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)c(F)c1	408965878	JOXGHZLZRDWODJ-KKMKTNMSSA-N	625.179	5.249	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC(C)C	408968628	AKDIOLXLFWMRSF-RPPVSQJYSA-N	678.395	6.232	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408968909	CUCKZEAIKRWRDW-FYPTXYOFSA-N	556.490	5.817	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	408968944	DIKWOTWQTJCPPY-UQHHXWOOSA-N	622.505	6.075	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1	408987111	AJKMQSOJSIOMLZ-NUGSKGIGSA-N	523.379	5.785	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409002306	NCLUSQKOOIGZHF-FABQOPTDSA-N	606.462	6.636	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc(Cl)c5)c(Br)c4)cc3)cs2)cc1	409035672	PXEQCSDMGSYWJV-KVAAJVFYSA-N	631.983	8.621	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(Br)cc1	409079518	KQJWEFBLEBPAQI-FYJGNVAPSA-N	548.393	6.219	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccncc1	409117555	NRFFKPNVJONQEL-NUJZUDFISA-N	524.484	5.381	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C#N)cc1	409141437	NVWCCNJUKFHSCV-VXLYETTFSA-N	522.786	6.107	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409157143	VNKIBHJRAUBRAT-AABVJFSESA-N	690.966	5.559	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1cccs1	409173323	OYBWHEHDFLLZJZ-WKULSOCRSA-N	507.974	6.136	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(I)c1OCc1ccc(Br)cc1	409183877	UKMQSBFBDVKLIT-UVHMKAGCSA-N	654.255	5.712	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409219530	NNSDZBOZFQNMQV-MHWRWJLKSA-N	556.800	5.380	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409236859	GJGSVIHMKROOCX-UCQKPKSFSA-N	504.970	5.282	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409269146	FYCGTPWDMRKAHJ-WSDLNYQXSA-N	609.464	6.097	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1C	409273647	ZSWFRPPFTCGXBL-MWBNBJEGSA-N	610.139	7.605	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409273659	ZVBMOUAYRHTVMY-QDTIIGTASA-N	544.833	5.509	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1cccc(Br)c1	409310189	RWNMVABCVPFNKB-MSOLQXFVSA-N	526.239	5.427	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409312666	GFMVWIBZZZBZDN-VQTJNVASSA-N	636.863	6.174	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409312706	GYOSTMAOUHTANI-CPDSRJINSA-N	651.885	5.450	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409321909	HUMHEJBPXWTQGR-NKHVPTTDSA-N	721.426	7.371	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409334037	QTTAJMUTKPCRJX-APTWKGOFSA-N	653.551	6.275	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCc1ccc(Br)cc1	409369057	ZMZAPJZDKMCUHX-ODLFYWEKSA-N	686.125	7.700	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1O[C@@H](C)CC	409387908	YFPMRYDTRPSERH-ZGUVFNMESA-N	520.405	5.912	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)cc(OC)c1OC	409394422	AGIYGXWVTCDWCV-UHFFFAOYSA-N	577.637	6.461	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409405356	SYKJSHJPYSTWNL-UNBWNHLBSA-N	717.411	6.894	50	40	KKGB	
COc1cc(N2CCCCC2)c(OC)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409406781	COMFOTVFSFOYBB-UCMJSZAQSA-N	556.663	6.038	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccc(-c2csc(COc3ccccc3)n2)c(Cl)c1	1701349	ZBMYBQCGDPLGFB-VTNSRFBWSA-N	558.962	8.386	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1	2231394	JSSOQGASRKFYTF-MUFRIFMGSA-N	516.692	5.692	50	40	KKGB	
Cc1cc(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c(C)cc1Br	3210963	FJHLLHCLNBXMCL-QPSGOUHRSA-N	551.098	5.539	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CC(C)(C)C3)cc1	3666086	RCINIFWQEMQXFF-AREMUKBSSA-N	512.679	6.228	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccccc1Cl	4196289	AKIZFAXEXXVCAS-LZYBPNLTSA-N	523.641	8.061	50	40	KKGB	
CCCCCOc1ccc(/C(C)=N/NC(=O)CSc2c([N+](=O)[O-])nc(C)n2Cc2ccc(OC)c([N+](=O)[O-])c2)cc1	6149687	GBGPBEVJDIOOGQ-RDRPBHBLSA-N	584.655	5.266	50	40	KKGB	
Cc1ccccc1C[C@@H](C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1	8861185	ZSBCXFUZAPQSQY-YMSFFTPVSA-N	516.233	5.702	50	40	KKGB	
CC/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1	9018909	VVDLZXDMNCOULO-GKPLWNPISA-N	527.694	6.268	50	40	KKGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1	9318899	UABNGOSGHYBRCU-LICLKQGHSA-N	505.949	6.741	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccccc3Cl)nnc2-c2ccccc2)cc1	9380021	ITYNZMPKSKQJGH-VEILYXNESA-N	506.031	5.619	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)=C(C#N)[C@@H]1c1ccco1	33357724	XLQNFYDQTWCNLT-RUZDIDTESA-N	617.749	6.165	50	40	KKGB	
CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)s1	97965808	AKYILAUIVSOMMW-LDADJPATSA-N	552.483	7.343	50	40	KKGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1	97980738	JHFDFCLPGDGGSS-STKMKYKTSA-N	571.699	5.639	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F	98000255	FWEIDTSAZVGXLP-XMMPIXPASA-N	562.013	6.464	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048774	IMDOSJUPPKVREN-MHZLTWQESA-N	594.615	6.126	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc12	100336720	LJLBUWCOKMNRKX-XKZIYDEJSA-N	562.363	7.004	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1	100354912	AIGDCTOWUSALFU-ZCTHSVRISA-N	548.064	5.816	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	100474457	OUAJZFWNOFUFQO-LFIBNONCSA-N	526.730	5.776	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	101305042	MVDIKHQKBVOWSZ-VWLOTQADSA-N	536.097	5.918	50	40	KKGB	
Cc1sc(/C=N/NC(=O)CCCCCCC(=O)N/N=C/c2cc(Br)c(C)s2)cc1Br	101656637	VKFITUDWQDTWSI-ASIDMNOUSA-N	576.380	5.892	50	40	KKGB	
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC[C@@H]1O[C@@H](C(F)(F)F)CO[C@@H]1C(F)(F)F	101748172	RZEXCUSSDZJJHD-XVMARJQXSA-N	562.216	6.107	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)N2CCCc3ccccc32)=C(C#N)[C@@H]1c1ccc(C)o1	102224891	WVYTXBCESPULKY-GDLZYMKVSA-N	554.672	5.644	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	102933344	GZRXEXKTZZLWKZ-ZHZULCJRSA-N	556.372	6.584	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1Br	104401912	DASRSJLVANNUQJ-KBKYJPHKSA-N	601.520	6.970	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4cccc(Br)c4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709419	GBNMAWHKGVZQJH-BTQJMXPFSA-N	606.586	7.066	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCc1ccccc1	105511532	HQXQHEBWQLHMQA-DPNNOFEESA-N	584.470	6.045	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1	105627080	GGHFTKNSNWYRFW-MZFJOGFUSA-N	541.991	5.974	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	106082881	FJWKDNNDEPMTCO-VVEOGCPPSA-N	574.258	6.966	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1C	150606089	MRXAKHGFYWERPW-WCMJOSRZSA-N	674.320	6.938	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795369	AHNRFAHKCHDMPD-TXEJJXNPSA-N	758.154	10.160	50	40	KKGB	
C[C@@H](C[C@H](C)P(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)P(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1	196088772	NOLMSXJJRKOIOF-LQJZCPKCSA-N	664.939	11.609	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)cc1	408537157	CHXQPKRZJASTDD-PKAZHMFMSA-N	578.621	6.194	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)ccc1OCc1ccccc1	408537466	FKJTWCOTQUQYPK-VULFUBBASA-N	662.378	7.602	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408540597	AGLOAIBWYHAAFK-ZXSNDDASSA-N	551.643	5.583	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cc4cc(Br)cc(Br)c4o3)c3ccccc32)c1	408543262	PYJSOGAHTUIATG-VVEOGCPPSA-N	609.274	6.511	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554343	RUQSPOZRUPVTDQ-OVCLIPMQSA-N	593.236	6.467	50	40	KKGB	
Cc1cccc(NC(=O)Cn2cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c3ccccc32)c1	408566545	AKXXCFITJWVYOY-OKCVXOCRSA-N	544.702	5.596	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408568206	IISKGVQUVXZYBS-CCVNUDIWSA-N	533.502	6.580	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1cccc2ccccc12	408599686	YLAHNBCVLBGXAY-KCSSXMTESA-N	545.477	7.251	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408607085	MYSFUWZRVJZDDE-QGZVFWFLSA-N	532.399	5.606	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408639378	FRHFIFUOQYRZEB-NGSHPTGOSA-N	787.310	6.232	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(N2CCCC2)cc1	408677985	WRKZMZACZAONLP-WKULSOCRSA-N	594.280	6.541	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)Cn1cnc2ccccc21	408691565	FHKQAQFWRPCVIP-MFOYZWKCSA-N	513.222	7.292	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)Cn1cnc2ccccc21	408691903	XFQCBNHADGMIDW-MFOYZWKCSA-N	557.673	7.401	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408727551	UAGNHOSTPXEEDY-IPBVOBEMSA-N	617.121	6.966	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccccc1	408742379	OPOSBOOVJPMULK-PXNMLYILSA-N	536.640	7.534	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)ccc1I	408747905	VOOBXZHYHDDNNG-KKMKTNMSSA-N	594.789	5.003	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1	408752699	JMLDHBGUZRDHGE-PTNGSMBKSA-N	562.785	5.324	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)cc1	408756459	ZMUIVGWNQXGYEZ-HMMYKYKNSA-N	595.393	5.031	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(OC)c1	408756774	XEUMFVVUMQXTRR-HYARGMPZSA-N	590.417	6.586	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1Br	408759790	LOVWKJRKPFEKCG-RQZCQDPDSA-N	500.190	6.309	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3I)cc2)c1	408762724	MAUQDHWCOMIZPX-XMHGGMMESA-N	537.357	5.163	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccc(Br)cc2)cc1	408774048	NZNFASUVUQYUDS-JVWAILMASA-N	528.472	5.227	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCC(=O)O	408788750	FWOZHUVANZSAHD-YBFXNURJSA-N	537.366	5.046	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(F)cc1	408788911	MZYKMUHPUDRZHY-LZYBPNLTSA-N	550.211	7.028	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1C	408791139	UQOPEIPEUJMIHC-VXLYETTFSA-N	666.151	7.558	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408793797	GGYFPOATFFTXGZ-CXUHLZMHSA-N	583.640	7.376	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br	408801595	UVLFKPRQMCFNNY-KGENOOAVSA-N	531.837	7.689	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1c(C)ccc2ccccc12	408810102	LOLHZWYOQMVZQU-HZHRSRAPSA-N	588.445	7.276	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1c(C)ccc2ccccc12	408810627	MMABYTCSEYQUAF-RGVLZGJSSA-N	596.308	8.351	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408822903	MTKNKDBEQSTTNE-OGLMXYFKSA-N	567.085	8.059	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408830887	GNAGXHOJJONTCF-OEAKJJBVSA-N	563.868	8.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCc1cccc2ccccc12	408836156	ZNOCITDDHNWNMN-WSDLNYQXSA-N	621.915	7.796	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408839277	PWHKMHPXWVFJOM-ATZGPIRCSA-N	602.068	7.090	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1	408842799	KXWWEBQUGRHRKT-RVDKCFQWSA-N	733.323	7.684	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408845129	OSZJQOZDSIUBTH-XAZZYMPDSA-N	599.496	6.575	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)c(OC)c1	408866633	IMBLQANFPCIPOV-LSHDLFTRSA-N	562.420	5.149	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1	408870273	VROARDLNUVXRLO-NJZRLIGZSA-N	543.645	5.010	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccccc2)cc1	408877547	VQMGKRYYVXVWOY-NJZRLIGZSA-N	543.645	5.010	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl	408898490	WGBUQDBZGILYEI-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	408907505	PMZYESCNXMQYSN-WCMJOSRZSA-N	566.989	5.053	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1	408926863	YUTMETQCAMMLIT-LGUFXXKBSA-N	511.581	7.076	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccc(F)cc3)cc2)c1C	408946285	MBGFOJWQPRZOKU-UMSFTDKQSA-N	669.779	5.697	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)c(OC)c1	408953487	LVDDIWITDQVDET-SQAGPIQUSA-N	765.401	5.972	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408968919	CUMAEQUTJJDOSR-YTZBBKQISA-N	635.386	6.436	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	408969145	IBVOXQABYDIPAB-JHSNMWSGSA-N	518.828	5.292	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1C#N	408969323	LTPQIIITNZNAEJ-JMIUGGIZSA-N	537.313	5.723	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408969728	SNHHNLDPTOVQLS-DMAPFLRVSA-N	640.995	7.828	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	408974350	YELKQTFSGDALTE-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408981503	BKUHBGUOUZPETA-IUXPMGMMSA-N	699.670	6.891	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1cc2cc(Br)cc(I)c2o1	409014962	QPUYAMVOESQYIF-YSURURNPSA-N	579.144	5.522	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	409027534	JYXWMLAUMLGXGQ-KEIPNQJHSA-N	606.144	6.226	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccc(I)cc1	409038827	PPWYNUQNNYOYPX-HQDYHJHZSA-N	692.351	7.620	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCc1cccc2ccccc12	409063923	FEUXOPATTYCZAP-PCLIKHOPSA-N	509.005	7.355	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OCC)c2)cc1	409167332	IJTSAGQVOAVINA-VWJSQJICSA-N	713.356	5.892	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12	409175497	ZLQDTWISWGVIGS-ZQLOEXMVSA-N	652.492	5.056	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	409176732	WBVWHZSSFDNVLZ-PWJSCFPKSA-N	606.638	5.644	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409203678	YENAHAFVBRDBIS-XKJRVUDJSA-N	602.765	7.629	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccccc2Cl)c1	409220259	VOVRCJGBPJUBCR-UHFFFAOYSA-N	576.834	6.338	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1cccc(C)c1	409223909	HNCFXHGDKGEJNR-UHFFFAOYSA-N	586.442	6.002	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-]	409225359	PFPMOGDSLVRCDV-IPRGFHBTSA-N	518.740	5.938	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409232475	IILSCYIRNCKTQM-VLZFXTDASA-N	549.421	5.909	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)NCCCc1ccccc1	409239552	HGHOMWZKBIHPFS-HMAPJEAMSA-N	554.282	6.447	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1	409259788	FJLXHDFCZJGRHD-MWPRVRPJSA-N	512.393	5.084	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(Cl)c1	409260854	XPALKJKQWJDICZ-YVLHZVERSA-N	514.796	6.518	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409271952	WPQPDTSHOCYMCP-YDZHTSKRSA-N	623.491	6.487	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409273040	UYSUSHDNRLCWAB-ODFOOFNCSA-N	530.383	5.223	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1OC	409315349	IYIUOQVAPYITSS-MBTHVWNTSA-N	638.334	5.625	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OC	409318865	YHGXTXNFAAAGCU-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)cc1OCC	409325313	XWWVZINYNJLTQN-LJUMEUDFSA-N	571.443	6.293	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Br)c2)[C@@H](C(=O)OC)C(=O)N1	409336380	RXSXBVVAEMYZLJ-FGZHOGPDSA-N	651.377	5.201	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC	409336808	UWESJSUXXGVOTI-DICXZTSXSA-N	542.932	5.900	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1C#N	409371390	IIDOUQZWLSJAIX-FBHDLOMBSA-N	551.340	6.113	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2Br)cc1	409372446	XWMZJAMIHVHUTB-OCKHKDLRSA-N	528.200	7.071	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(I)cc1	409372470	XZWZNDUOCJAGMB-WQRHYEAKSA-N	625.219	7.077	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409395804	RXAPUWCWIQJJGS-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)cc1	409396171	WVTNTBSOERIBAT-UHFFFAOYSA-N	541.966	6.619	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(OC)c4)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409396422	PSPSHBUSVLUPCX-UHFFFAOYSA-N	612.082	7.277	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396623	ZLVUWANLUHTEEX-UHFFFAOYSA-N	636.919	8.186	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397199	HIMHYMMGDVMPIV-UHFFFAOYSA-N	626.418	8.152	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397230	HQOCWZYRHYLWKN-UHFFFAOYSA-N	577.040	7.050	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398113	QRMLGTHJWWXHJP-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398762	VNSDSSWPYFJTEV-UHFFFAOYSA-N	607.663	6.551	50	40	KKGB	
Cc1nn(-c2ccccc2)cc1/C=N/NC(=O)c1oc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c2c1N	642463	NLJMQQCLFCBGAX-VWJSQJICSA-N	536.979	6.248	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	2096756	FZYFDNMRQOCOBX-UXVJLIRGSA-N	583.117	6.956	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1OCc1ccc(Cl)cc1	2743677	VFBOSPYJNTYQJM-QFIPXVFZSA-N	513.819	6.132	50	40	KKGB	
CCCCN1C(=O)/C(=C\Nc2ccc(Cl)cc2C(=O)c2ccccc2)C(=O)N(CCCCl)C1=O	8431386	HLWZCRSPAWQGIJ-CAPFRKAQSA-N	502.398	5.087	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1c(Br)cc(C(C)(C)CC(C)(C)C)cc1Br	8434882	UWRYQBCFZCRZOD-XAZZYMPDSA-N	638.832	7.602	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCc1c(Cl)cccc1Cl	13922917	PXACENYUBMFHJQ-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
CCNC(=O)c1c(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nc3c(C)cccn23)sc2c1CCCC2	16742443	IVAXXVQUXZZTKX-CAPFRKAQSA-N	509.635	5.545	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccc(Cl)cc3)c2C)c(C)c1	20243674	GQPDXOKOZJCZIB-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)c2C)cc1	58915357	VUQJVSWAETWNFA-NDZAJKAJSA-N	514.651	5.133	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	59646750	SYPWTAJPZAQMOU-UZWMFBFFSA-N	561.063	5.571	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	59857300	MLVHRTOIQDQCPF-BIZUNTBRSA-N	598.637	5.264	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1	59882036	FWDBKMSNPITVRY-BIZUNTBRSA-N	566.045	6.414	50	40	KKGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1	98001719	HUTWLMFIWYBIKU-XJECJHNESA-N	728.235	6.592	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(OC)c3)=C(C#N)[C@@H]2c2ccco2)cc1	98048622	WETHKHWCYNAENF-HHHXNRCGSA-N	528.634	5.557	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)c1	100124789	MFQFSNMMWYMRBB-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100125029	WRQRTPCKHDGIJO-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	100228657	IPVDEVRGQYOLFA-FMFFXOCNSA-N	575.662	5.457	50	40	KKGB	
COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1OC	100284876	LGZGNODHNLOCQU-HNSNBQBZSA-N	622.099	5.962	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Br	100580425	OKXMQSRXSUXSQL-NYYWCZLTSA-N	543.555	5.244	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	102809957	UVVCIOQATLSRBS-NDEPHWFRSA-N	540.645	5.410	50	40	KKGB	
N#CC1=C2C=CC=CN2[C@](c2ccccc2)(C(F)(F)F)N=C1SCC(=O)Nc1ccc(Cl)c(Cl)c1	102830487	MSGCNLZAOMUDAA-HSZRJFAPSA-N	535.378	6.656	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)N=C2CCCC(O)=C2[C@H]1c1ccccc1F	104147290	KKTBZDROLDPPGW-QFIPXVFZSA-N	501.505	6.486	50	40	KKGB	
CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341655	GAERTRYJUNXMSK-CQSZACIVSA-N	792.343	12.136	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cccc2ccccc12	150569499	MEDFXRBZOZBHKL-YNFMAFFXSA-N	701.129	7.699	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Br)[C@H](Br)c2ccc([C@@H](Br)[C@@H](Br)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	226323359	KYMFIPAQSHDSRX-CZYKHXBRSA-N	781.990	8.464	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408542554	KCBOZKRMMSKDBR-YSMPRRRNSA-N	516.557	5.789	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)c(C(=O)OCC)c1C	408546524	KQQPGYCPQGBEFP-KGENOOAVSA-N	535.593	5.847	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408554721	UGRZACYOOYAYPI-VXLYETTFSA-N	607.486	6.693	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCc1cccc(F)c1	408583120	RSCDYJSQXTZZKY-RGVLZGJSSA-N	529.349	6.481	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl	408677606	AZPIQWSFZLPFDV-BBCKRIEKSA-N	589.781	5.124	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccc(Br)cc2)cc1	408730987	XKCPHSPTVVZFCO-RDRPBHBLSA-N	566.477	5.347	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(Br)cc1	408745592	TUAROBAZFYOUAS-FMIVXFBMSA-N	517.133	5.925	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)c1	408753088	LHOBNYVVGROEOX-XDHOZWIPSA-N	571.449	5.478	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OCc1ccccc1	408756349	QMAHYGBLUGWYMW-JEPNHJGPSA-N	656.605	7.652	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccc(Cl)c(Cl)c1	408763059	HCYUPCGAFWAQGQ-LUOAPIJWSA-N	511.192	6.082	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(F)cc1	408763294	OWDHFVFVHBAAAP-ZDLGFXPLSA-N	529.793	6.765	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(I)cc1	408787588	CEVARUUSBHLEHD-WOJGMQOQSA-N	682.150	7.340	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(C)cc1	408787676	DMBCZRMMBRXWAJ-RGVLZGJSSA-N	525.830	6.934	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408787727	FKJJODQPPAJEKC-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1	408793243	DORJHRTZRLVVKD-XDHOZWIPSA-N	556.254	6.735	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1ccc(I)cc1	408797391	RGIUTXWXAWCABH-FYJGNVAPSA-N	631.308	7.139	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408797772	SQEPUGCWWNKMKQ-YBFXNURJSA-N	574.258	7.057	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408816511	LPQIPTPSIAZODU-NKFKGCMQSA-N	526.706	6.643	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408820878	ACRKKVFHXVNREW-PCLIKHOPSA-N	584.028	7.351	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1	408823374	FGAIPDVRQUJVHA-OGLMXYFKSA-N	507.999	5.088	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	408827497	HSJRVPLESIQLHK-CCVNUDIWSA-N	535.497	5.441	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5cccc(F)c5)c(I)c4)cc3)cs2)cc1	408838890	JTRLZDGXSVGWNO-QNVXDBMFSA-N	741.424	8.711	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408840992	IABXKWUOESLNBG-FDAWAROLSA-N	612.933	6.027	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	408841340	IHGRQRBKLMRUAQ-KVSWJAHQSA-N	504.921	6.512	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408842508	PTRNVFXCZDXXBT-SBWWSWLISA-N	712.894	5.980	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(F)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408843267	FESNZUBAVOLRGV-KVSWJAHQSA-N	540.216	6.637	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408843562	MCTRRLCKWSDURO-PTEHHBOZSA-N	642.395	9.510	50	40	KKGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408860701	CFWWVCGSOSDWKV-WKULSOCRSA-N	562.862	6.252	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Br)cc1	408865704	DOEFLCGLFRLCGD-NINHOHATSA-N	550.291	6.076	50	40	KKGB	
N#C/C(=C\c1c(Cc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408875392	IDGPVJWARBGDGM-SGWCAAJKSA-N	573.490	8.318	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408885750	AENNKQQYUUJDJM-HMMYKYKNSA-N	517.810	7.380	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cccc(I)c1	408885799	AYRHWWSJDRCWNB-KBKYJPHKSA-N	648.520	6.813	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	408886071	DAXGDABCKUAFPV-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(Cl)cc1	408891214	MZFRUICJAXKQOY-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OCc1ccccc1	408894966	JXXXNYPXYPGXLO-WOJGMQOQSA-N	593.248	7.121	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904229	GUCLROSNGWNMPW-RAWMCFOBSA-N	529.292	5.899	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)c1OCc1ccc(Br)cc1	408921752	BTYOAGXXUOUZMV-LDADJPATSA-N	635.150	7.416	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1OCc1ccc(Br)cc1	408923392	IFVYFLHSIWYNRP-GZTJUZNOSA-N	542.773	6.144	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	408942595	GGLSVYVEMGUBRV-PSXMRANNSA-N	669.807	6.696	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccc(Cl)cc1Cl	408953074	WTCFXCGNDQPPHP-MHZLTWQESA-N	832.342	6.825	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1cccc(C(F)(F)F)c1	408961148	ARVDKDJNLOOPDE-HIWRWHBISA-N	517.334	7.508	50	40	KKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1C	408968262	VARMGBNAYPZTDZ-UVHMKAGCSA-N	590.259	6.534	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408970960	BNDBPWUEELOGRX-FYKGKLKKSA-N	748.299	7.743	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408971195	DFRPRVYUUPILIN-WEGLJZOASA-N	738.293	8.287	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1	408974067	WQSWTKIZNHUBFI-JNPURSGTSA-N	574.259	5.113	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(OCC)c1)c1ccccc1	408981637	WASHIQXZHUVGFX-BJNWWJADSA-N	539.632	6.145	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccccc2O)cc1	409006556	OZCKWLGCATVUTO-VMWSCHNCSA-N	536.540	5.003	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(Br)cc1	409011927	PECBCIRMXAOMSF-RAWMCFOBSA-N	641.101	6.734	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc1ccc(Cl)cc1Cl	409014013	LQJFBXHOEMGTNZ-MIMCIKNBSA-N	572.533	6.776	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409017693	OLJXUIZIBUAHMH-DBFSUHOCSA-N	617.827	5.789	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1	409019353	WJMFWKPOZRKBFV-MUPWGIPKSA-N	570.517	6.329	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccc(F)cc1	409022651	FGLZXFUNWYIIBI-NVJOKUIPSA-N	531.765	6.339	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2OC)cc1	409024753	GVWFYKZOXSOVSI-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1	409043086	PQSCBEFOXVRZBU-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1cccc(C)c1	409056643	NDKMZGYFSSDODN-CIAFOILYSA-N	595.437	5.788	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(F)cc1	409144274	FCIIKVVRYRBVNK-HSZRJFAPSA-N	573.406	5.138	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12	409181994	HHIFAQRTLSMHAL-ZYKGYMJWSA-N	652.019	5.132	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc4ccccc4c3)cc2c1	409184369	KVWHMWDBNLJXEI-LJUMEUDFSA-N	543.417	7.090	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccc(Cl)cc4)c(OC)c3)c2)cc1OCC	409219667	SXIMMIBEJUEXJH-HPGOCIDNSA-N	642.108	6.781	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	409219797	UVXADNJLIBQTII-GATIEOLUSA-N	537.153	5.647	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409222546	FALKJVRVSLDJDF-WOJGMQOQSA-N	601.828	5.825	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)c1ccc(C)cc1	409225989	RCAYNWHELFSTLF-UHFFFAOYSA-N	511.534	5.222	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409226839	WCKQFSCULIEOKR-UHFFFAOYSA-N	562.409	6.237	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409250564	MYRXLRKHEVGUEZ-ODQASSKESA-N	681.001	8.304	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccccc1	409253569	ZVLGTYGQTKMVQB-WYRWUVFZSA-N	511.419	6.966	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1	409266950	SMHYXVINVNZDBC-PDGQHHTCSA-N	524.360	5.343	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	409302775	KHIRFSKRARUQNK-LJUMEUDFSA-N	563.448	6.361	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(SC)cc2)CC(=O)N1	409309532	ITSQZQJCUSCKNE-LJQANCHMSA-N	530.513	5.752	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)ccc1OC	409310906	CQHHWQKBUXGFGR-NTFVMDSBSA-N	527.415	5.598	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1OC	409312989	ARPJNHSITUYOGD-NUJZUDFISA-N	608.714	6.781	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCc1ccc(C)cc1	409314113	FFKDHLQOJXMSQJ-FZKWRIDDSA-N	559.062	6.978	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)c(C)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409317518	UTQGLCFJEZBDAR-RTWAWAEBSA-N	627.344	5.573	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1OCC	409324615	UEQPLJHQQUHXLM-MIXAMLLLSA-N	561.056	5.458	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCc1ccccc1	409334007	QIYFZUQFWSAJIJ-APTWKGOFSA-N	636.486	6.620	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4cccc(F)c4)cc3Br)cc2c1	409334571	HJGVXCACZZBUNY-MNDYBZJGSA-N	555.400	6.475	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Br)cc1	409372204	UEIAAGILGMJELH-GRSHGNNSSA-N	513.775	7.053	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409374363	NQFIGPPSOJSBMB-NDENLUEZSA-N	545.437	6.423	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1	409385597	LVFWBVQEXGXUCG-OKCVXOCRSA-N	504.571	6.730	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OCc1cccc2ccccc12	409388661	VIDATSFULOWQIU-OYKKKHCWSA-N	591.449	6.518	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409394584	CLUVFUFVBKFGNI-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409395517	OPCXZMGKYQNAEI-UHFFFAOYSA-N	695.751	7.725	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(C)=O	409408726	LCKHYHRMNDEJKF-KOKCXWAISA-N	656.091	6.837	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409409366	OEEYJBOVSYSZRN-FZKWRIDDSA-N	592.608	6.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	1529548117	XZPYLODTBDHZTH-IBPXFIEHSA-N	741.462	5.547	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CC[C@@H](C)[C@@H]2CC[C@H]3[C@H]4[C@H](CC[C@]23C)[C@@]2(C)CC[C@H](O)C[C@@H]2C[C@H]4O)cc1	2033240082	OJNMMFFBVGCZFD-MGARFNBNSA-N	524.746	5.552	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	1102303	NPCRNGLFDVHFCR-RUZDIDTESA-N	535.094	6.417	50	40	KKGB	
COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1	1835362	LRSNJIJEGHNKDJ-DHRITJCHSA-N	508.650	5.013	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1	2056825	DRTNAHWUJXBTGP-LGJNPRDNSA-N	550.634	5.777	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1CSc1nc2ccccc2s1	2605599	DWZGDAVUSHUIST-OXUBWTJQSA-N	552.896	6.299	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1Cl	3659571	YHKSVFIDPFGDBE-XODNFHPESA-N	521.784	5.794	50	40	KKGB	
C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	4155895	JNEIWYNNQOWCLG-UHBFCERESA-N	518.828	6.599	50	40	KKGB	
CCCOc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)cc2)c1	6167563	FPPGUHXUXSHKHT-FXUVMIMASA-N	591.730	6.008	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2Nc2ccc(F)cc2)cc1Cl	9235502	YBVLBONSPOXRSD-RPPGKUMJSA-N	503.759	5.382	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	9261828	ONSLMYWFXYJUIH-STBIYBPSSA-N	510.575	6.664	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)OCc2ccccc2)N1	9311103	WUYSWHWKUKYXLI-VWLOTQADSA-N	520.010	5.744	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1	59410792	LUSAOWLZYOYLMA-KBKYJPHKSA-N	517.763	5.183	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	59485131	AAFLVKNYJAMMKJ-UNOMPAQXSA-N	511.803	6.626	50	40	KKGB	
N#C/C(=C\c1c(-c2ccccc2)nc2ccccn12)C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2	97946802	GJLZGBNGVPBMJT-STLXWTDXSA-N	551.672	5.396	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C#N	97955893	MQLFJXCYXSKGFC-KNBZMSCYSA-N	592.277	5.586	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1	97960630	MAVUSCRCTMDYMQ-NHFJDJAPSA-N	566.499	6.433	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1)S(=O)(=O)c1ccccc1	97964096	SUZGLKCWXAIORL-QLQYKETESA-N	594.136	7.060	50	40	KKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(c2nc3ccccc3s2)=C(c2ccccc2)N1	97984533	GSVNDDAKZOUNSG-SSEXGKCCSA-N	605.188	8.621	50	40	KKGB	
O=C(CNc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(Cl)cc1Cl	98001356	LQBICGYHWJMSAV-GEVRCRHISA-N	558.883	5.843	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1	98001722	KWSLDRDDCXUQEG-LUOAPIJWSA-N	629.074	5.862	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100122863	JNKGGTYZMDONTA-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126406	ZDYAHNTYFGWBOH-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100128840	FSZUTROXPKNAOY-FJEPWZHXSA-N	556.475	5.142	50	40	KKGB	
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	100141861	IYGLPSNBQAVEGX-LJAQVGFWSA-N	527.577	5.825	50	40	KKGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Cl)cc1Br)oc1ccccc12	100337732	FKBVNNWSIXQQKY-IPPBACCNSA-N	558.816	5.910	50	40	KKGB	
C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)COc1ccc(Br)cc1Br	100530231	AVHNXEILRHGYDO-LQKURTRISA-N	559.258	5.778	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccccc1Cl	100859053	VSQIYUUORCYLDJ-MBTHVWNTSA-N	530.868	6.527	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N1	101554883	LVDQYRBYLNIZMN-NDEPHWFRSA-N	558.103	6.768	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)c(OC)c1	102689750	GYBURSYRYFMBOD-RUZDIDTESA-N	538.069	6.635	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cccc(Cl)c2)cc1	103900514	BSGHWAMZTINNBN-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)[C@H](Br)[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C	123208520	RBYRHDBWVSOLNG-MBIZIHSMSA-N	597.587	5.650	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	150490572	GHGZANXEEZEDCH-CAQPMQTCSA-N	655.571	5.228	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	245226923	SQPDIZYABMVPOH-CKYIQZEGSA-N	570.325	7.220	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)c3ccc(Br)cc3)cc2OC)ccc1OCc1ccccc1	408541081	XPYSZUCJRXFXGV-WPWMEQJKSA-N	570.483	8.079	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)c(C#N)c1C	408546370	IMSIEHDEPYZWRT-BUVRLJJBSA-N	520.610	6.556	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(I)cc1	408549578	VCSDFYCIIDUUNP-FMCGGJTJSA-N	643.262	7.701	50	40	KKGB	
O=C(NNc1cc(Br)ccc1OCc1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408606519	MFTZWVLIJHKRCC-KRWDZBQOSA-N	514.807	5.178	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Br)cc1	408610641	ORHYTJUTUHGFRF-RWPZCVJISA-N	524.415	5.132	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCc1c(Cl)cccc1Cl	408613350	ZFRJBHUPPCKXNU-IPPBACCNSA-N	514.409	5.677	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccc(N2CCCC2)cc1	408675774	ARGUMNKFIIQKSE-WKULSOCRSA-N	502.829	6.590	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408689703	YWJLSERXWOVPBM-NLXTZRDGSA-N	646.119	5.237	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408711625	BVWMGBXUXMVNJO-BRJLIKDPSA-N	657.202	5.156	50	40	KKGB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3cccc(Br)c3)c2-c2ccccc2)cc1	408729386	BEQAHSVALWKRTC-HWIUFGAZSA-N	534.457	7.646	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408743803	BTGPWTUYINQSAF-WQRHYEAKSA-N	558.759	5.767	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)cc1	408744986	ONGNPBUHHGESNR-IWIPYMOSSA-N	557.444	7.134	50	40	KKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1ccc(Br)cc1	408746529	FANHXYDSEGSEIA-JWGURIENSA-N	506.403	7.151	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408746807	VXVCRNMBOVJJHW-APSNUPSMSA-N	546.204	6.609	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cn(Cc3cccc(C)c3)c3ccccc23)ccc1I	408748137	YZFHFCWBFDTXGL-MZJWZYIUSA-N	523.374	5.375	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(F)cc1	408763105	NMHZDTRTERJBOV-NDENLUEZSA-N	570.256	7.204	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2cc(Cl)cc(Cl)c2)cc1	408773555	RUQMIFDEUUGVSF-KCSSXMTESA-N	596.492	5.867	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1F	408792043	GYIPVOSDAXYILU-LZYBPNLTSA-N	550.211	7.028	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795646	LXVUQYAZULQHDE-LFVJCYFKSA-N	512.968	7.183	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br	408797218	QLPABJMZBLMVNZ-XDHOZWIPSA-N	556.254	6.735	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1ccccc1F	408799246	YKSCEPNWBYUUKR-UDWIEESQSA-N	553.384	5.898	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408809708	IQDCHAJAZRBVPU-RGXNXFOYSA-N	514.025	6.834	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1c(C)ccc2ccccc12	408810862	MZURVEYABJNQLW-BUVRLJJBSA-N	511.021	7.633	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408814225	SBVYQBKCNWXNDQ-BKUYFWCQSA-N	525.407	7.384	50	40	KKGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)c1	408821592	JGDJFLIMGAPZPR-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(c1ccccc1)c1ccccc1	408821615	JKUNSADBHOTRAN-QLQYKETESA-N	632.569	7.260	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408827385	JBXFVIPUNIYIKD-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408829170	OFILRCNJLVKRNT-CCVNUDIWSA-N	568.320	6.976	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	408839289	QECUGGXNFDUPIV-WCMJOSRZSA-N	571.062	7.287	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1	408854324	CNDQFWRAXLCOKU-WBIBEUCMSA-N	661.369	8.460	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1	408855583	GMZZOSRODLSSDC-FXMZOFOKSA-N	597.090	7.608	50	40	KKGB	
N#C/C(=C\c1c(Cc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408865187	BRHOOTUCANYFCN-SGWCAAJKSA-N	512.584	7.694	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2cc(C)cc(C)c2)cc1	408866981	HRZAMDRNQVIWBR-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1OCc1ccccc1Cl	408880474	HXQNQRDPHMCDDX-CXUHLZMHSA-N	532.767	6.688	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	408890144	OPTYXENVXZGCAK-RPPGKUMJSA-N	530.831	6.065	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OC(=O)c1ccccc1	408900197	TZOPOXLGRJNKLF-STBIYBPSSA-N	517.379	5.984	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccccc1Cl	408900289	UVTLYTFTDPKOSO-OKCVXOCRSA-N	584.841	6.839	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2OC)cc1	408901075	ZWPNESZIRXRBIV-CXUHLZMHSA-N	576.230	6.538	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccc(F)cc1	408925646	SNBACEBJRUCVEE-YBFXNURJSA-N	543.820	7.073	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	408940954	OWKVVUTUIDCEQV-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccccc1C#N	408943099	GYFUUGIILZYBHX-MUUNZHRXSA-N	697.011	5.438	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c(OC)c1	408943784	IFZZTIJVVWTJQN-DMFIQNIRSA-N	730.410	5.519	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408962708	JMLWMQSGEIKDNN-WKULSOCRSA-N	544.361	6.600	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1)c1ccccc1	408979286	MDRKHZMXVFMFDL-BGEOKWEGSA-N	554.441	5.364	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)c2C)c1C	408979731	OGVGEMGNFPQSDO-SXMPYHCESA-N	518.658	5.271	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c(Br)cc1OCc1ccccc1C#N	408981604	VYEGFIMVQWWGTD-NLLYSOFASA-N	661.578	5.777	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1Cl	408985149	VWAFOSMUFSNQMH-IUXPMGMMSA-N	780.569	7.587	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408990141	MUOYMSFONRFYQP-UUYOSTAYSA-N	517.969	6.418	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408993543	WBEVSYXCHQXJJM-VWJSQJICSA-N	556.877	7.162	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(Br)c1OCc1ccc(Br)cc1	409000293	UWVZDXNNSIERKM-RXKJZGMASA-N	691.417	6.359	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1ccc(Cl)cc1Cl)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028891	SOPSDFJQUQNPAI-KSXCTLEASA-N	506.411	5.091	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccc(OCc5ccccc5)c4)cc3)cs2)cc1	409039003	GCTVFSYVOWKKFL-BIZUNTBRSA-N	518.642	7.205	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1	409048160	QSZLPGKVKZZCNZ-YBFXNURJSA-N	526.228	6.645	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1ccccc1C#N	409054037	QHEFKTYCPHATRI-IPPBACCNSA-N	573.818	5.866	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	409074804	RTZUVVBCAGNRHM-DEDYPNTBSA-N	545.398	5.830	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)NCc1ccccc1	409086076	YDUFCOOTYRVJEY-LICLKQGHSA-N	546.299	6.392	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409159087	PYQUTHLIUZSPEB-PNQUVVCRSA-N	598.270	5.805	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OCC)c2)cc1	409170505	VAZUPDDDILUIIP-KPGMTVGESA-N	692.938	5.547	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409217822	BZOOILPOXBKDTK-UHFFFAOYSA-N	655.288	6.720	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409253070	ANYZKEPJRFSKQA-VHFSBPNMSA-N	731.616	7.565	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409257751	SBKFESTUJRNGFI-FDVSRXAVSA-N	554.441	5.255	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)c1	409259113	WPPAQFBAHUMXID-VXLYETTFSA-N	585.252	6.818	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br)Nc1ccccc1	409272938	ULDXAVXOSVPXIC-OHUYPAJKSA-N	626.536	7.098	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1OCC	409302398	INKZVEBWFKQPOP-MNDYBZJGSA-N	535.855	7.177	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)ccc1OCc1ccccc1	409303703	OAUWCKUTMXLZQR-LJUMEUDFSA-N	545.979	6.179	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1OC	409310388	AZJQDTDBNOZGQB-WGARJPEWSA-N	612.296	5.151	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409371539	WZYGTXVMKBVGIV-PPDIBHTLSA-N	534.769	5.032	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409374808	ZTLUCQKNYRPRRE-NVMNQCDNSA-N	512.824	7.873	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1	409394966	IDYSWIQZPURMGS-UHFFFAOYSA-N	699.321	8.670	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409396725	ALLBKMBJECYIMQ-UHFFFAOYSA-N	552.974	6.335	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409407346	ZLCCGBAFXYTQHD-ACXHZZMFSA-N	536.415	6.349	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)o2)cc1	409410398	WLFFEYQYNSXQFL-OHUYPAJKSA-N	550.615	6.136	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	1529547985	USHSYTCYWWPCED-DMFIQNIRSA-N	657.576	5.466	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccccc1Cl	1950337	WYJDUTHIPIPYSQ-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CC(C)(C)C3)cc1CN1CCCC1	2103173	KYMIMOFOQWQRAW-MHZLTWQESA-N	579.514	6.133	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1ccccc1Cl	3090254	MGYDKAWDTFGKIF-OKCVXOCRSA-N	551.824	6.176	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)cc1	3143786	BNAHYWIKYLRSRD-UXHLAJHPSA-N	535.021	5.759	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4047762	KJXNMXGPGYPUDM-FJEPWZHXSA-N	573.274	6.898	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	4474042	GLLMPBIYQCRSPX-BKUYFWCQSA-N	505.368	5.834	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2c(Br)cc(/C=N/NC(=O)c3ccncc3)cc2OCC)cc1	8492272	HEPMUELUKCJOAO-RUMWWMSVSA-N	584.511	6.424	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	19939738	ZJGCQQZYMRKMJM-RUZDIDTESA-N	524.086	6.366	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1c(Cl)cccc1Cl	95752843	SSGKWBHOBWJMCN-VCODYHGSSA-N	549.454	7.166	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)ccc1OC	97958709	IMBCFQFJAYXLPY-XOQQKBACSA-N	549.071	5.515	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2	97979612	IYDHHXGLIHFATH-SAPNQHFASA-N	562.047	5.453	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	100070689	ZXOVFOQJDMEIQB-ZXSNDDASSA-N	599.757	5.053	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4Cl)c3C)cc2)S(C)(=O)=O)cc1C	100119789	BLLIZTRGGUPDST-KCSSXMTESA-N	563.123	6.094	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1	100351327	PEVMIWDZVYFRFS-HWIUFGAZSA-N	572.731	5.103	50	40	KKGB	
CCCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	100853139	VMESBFNWPIVGLM-RGXNXFOYSA-N	541.721	6.571	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1	100853295	DETMHESIMMJZNO-MUFRIFMGSA-N	544.895	6.835	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1	100990848	PNOXTDLJGQAWLT-GHIWRQRASA-N	531.943	5.694	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1F	102719493	SQLNWENWAIILJJ-NDEPHWFRSA-N	542.636	5.849	50	40	KKGB	
CC(C)c1ccc(N/C(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)=C(\C#N)c2nc3ccccc3s2)cc1	102931695	UKGYCECQFILSHL-WBLNYKJVSA-N	565.749	7.979	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)N1CCN(c2ccccc2)CC1	103884826	OMXWTRNXRDGGDK-JLPGSUDCSA-N	527.422	5.156	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12	112254938	GNURXDGMDBQEKE-PWJSCFPKSA-N	606.638	5.644	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342017	TYRVDWSBLXITKS-REOHCLBHSA-N	742.023	9.022	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)oc12	208247462	DXGAHUKRMNGYOY-PKCARXMOSA-N	518.839	6.343	50	40	KKGB	
C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O[Si](O[C@@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)(c3ccccc3)c3ccccc3)CC[C@H]12	263593270	BBEQKIUJQPOHPG-JZJMJVOKSA-N	757.144	10.077	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1OC	408538538	ONHLBEDQLGXIBH-DICXZTSXSA-N	530.488	6.613	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)c(C(=O)OCC)c1C	408546674	MGPSFPMRRNIIRA-CPNJWEJPSA-N	535.574	5.175	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCc1cccc2ccccc12	408583246	SVMADJOGYOIRCK-BUVRLJJBSA-N	514.419	7.653	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408601279	ARFTYEOWRUFLNY-KRWDZBQOSA-N	532.399	5.606	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408654759	GQJOUGZDRMVMBU-FGTAOJJYSA-N	673.185	5.687	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408664130	YUOYMMNGELUKFY-SFUHOGEXSA-N	657.186	5.790	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Cl)cc1	408753980	LJJDOANCRVYXCL-WJDWOHSUSA-N	500.769	6.210	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccccc1Cl	408792223	JRGOPVJTIHCUHQ-BUVRLJJBSA-N	650.900	7.657	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	408792544	KRFNAEXXYPQLMS-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccccc1Cl	408793665	PWLPZPWMSPIOHT-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408793785	GQKZLATXBZNSPT-KGENOOAVSA-N	519.395	6.147	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I	408795530	LXSJQGTXTWHBKL-OVCLIPMQSA-N	572.184	5.457	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1F	408795681	MOSCXLGVCPSTBQ-PCLIKHOPSA-N	557.021	7.581	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408796860	QJNKJISHMIOZGE-YBFXNURJSA-N	723.261	6.105	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1c(C)ccc2ccccc12	408805700	CAUVWCOKLNALPG-ZVHZXABRSA-N	555.472	7.661	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccccc1F	408810433	JTAPMJJCWGTZHZ-SXGWCWSVSA-N	567.185	6.862	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408815740	RXPWOILJLRDOOT-NDENLUEZSA-N	522.355	5.168	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1cccc([N+](=O)[O-])c1	408815865	VKMDTBUQLXYTRG-WYMPLXKRSA-N	533.176	5.463	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1cccc(Cl)c1	408833969	KRWPTPLUGJBIEA-ZVHZXABRSA-N	607.921	8.749	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408836057	POWOYELTPCODRW-MFKUBSTISA-N	557.021	7.500	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1	408836165	ZEHDWUNCYOZPKV-FDALDRLYSA-N	646.596	7.568	50	40	KKGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408845781	LLHHDORGGVBYOI-RGXNXFOYSA-N	603.460	6.232	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(Cl)cc1	408846080	XJXUUPWQGXAAEQ-HBHSWBPBSA-N	667.935	7.992	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408849433	YLQAGWRSHWJMOM-FABQOPTDSA-N	646.950	7.482	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1OCc1ccc(Cl)c(Cl)c1	408881286	KMZYAVATIKSVKJ-OVCLIPMQSA-N	567.212	7.342	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1Br	408886099	HZZQELIKCDEBBR-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(Oc3ccccc3)c2)c(Br)c1	408886392	KLJIKHCREJUMPH-SFQUDFHCSA-N	512.201	6.858	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)O	408889186	AORXEYFGCBPTMI-GZTJUZNOSA-N	511.759	5.925	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1	408892290	YKICIQXLZVSXTD-GZTJUZNOSA-N	649.133	7.056	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OCC)c1OCc1ccccc1Cl	408912170	PTIKFIBUOTWGQW-FADJLKOXSA-N	555.074	6.432	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2Br)cc1	408923362	IBSNPDLWVFUVNV-LZYBPNLTSA-N	609.285	6.028	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408943739	IEACYYRXVFOGKI-MUUNZHRXSA-N	783.472	6.071	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408950428	KETHNXVIMWUNNN-JAIQZWGSSA-N	707.737	6.875	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl	408953288	XJEVNVOLIYNVMA-HHHXNRCGSA-N	785.342	6.982	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408953797	YDIVWEKJYWIJRX-HHHXNRCGSA-N	716.998	5.475	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1c(C)cc(C)cc1C	408970050	ZEZSGSRWJDAGBE-XGHVLQMXSA-N	642.624	7.345	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1	408971801	QJNPLWKSPFZGDB-LFVJCYFKSA-N	535.040	6.294	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccccc1	408972821	VXAMDJOXFCYXOZ-GTNUZBGFSA-N	531.653	5.033	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1Cl	408981893	DMCFQBWUZVOGEV-SOFYXZRVSA-N	676.563	8.447	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1Cl	408983087	KGYYXJPCRFMYDK-IUXPMGMMSA-N	595.118	7.952	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(F)cc1	408984933	UJEPQCBNNQQKRK-NVMNQCDNSA-N	576.793	6.525	50	40	KKGB	
CCN(CC)C(=O)/C(C#N)=C\c1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1Br	408993650	DWEKOWJPXTWWKZ-DHDCSXOGSA-N	591.127	6.881	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409003339	RYAADJILVUGIHL-FABQOPTDSA-N	606.462	6.636	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1	409004218	BFWFVVPNJWVCEI-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OC	409036060	LADJEHRWCCBINF-LQKURTRISA-N	551.384	5.678	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409059193	VFBPNCVJJKJMKI-IPBVOBEMSA-N	556.671	7.069	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)cc1	409073208	PPFPUUYVSYMPFP-LFIBNONCSA-N	503.363	5.315	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409078472	IHIFMAXFHWKBCD-XNTDXEJSSA-N	545.798	6.084	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)c(Br)cc1OCc1cccc2ccccc12	409081928	LIUXMPLGKVBSJN-RWPZCVJISA-N	505.368	5.659	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409087053	AEPARQUMVIQAEU-RIYZIHGNSA-N	641.194	7.485	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409087391	CHXCXRVNSPSSLI-WKIKZPBSSA-N	569.226	6.340	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc(C(=O)O)c4)c(OCC)c3)cc2c1	409187729	UFONSISOUISZME-MNDYBZJGSA-N	581.419	6.034	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409199377	COPIHAFRORTBSI-XODNFHPESA-N	532.449	5.570	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)NCc1ccccc1	409227998	YYJVJLWYQMUIAZ-XDHOZWIPSA-N	524.802	5.343	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409234270	JTJUYLUCKNEJNI-MFOYZWKCSA-N	576.325	6.509	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)NCCCc1ccccc1	409245317	QTJVKVVAJCBCBJ-JCMHNJIXSA-N	509.831	6.337	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)cc1Cl	409250625	MGNWRWUYRDEOEL-RQZCQDPDSA-N	603.698	6.737	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br	409251427	PPTHQSVWASRTSJ-PPDIBHTLSA-N	579.676	5.955	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)c1	409253174	WFHCDPGZGCTISQ-PPDIBHTLSA-N	506.773	5.437	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409262481	HGPHHSUTGZTKSV-ODLFYWEKSA-N	598.881	6.381	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409265339	UHMVDSLFTSTUKG-KEBDBYFISA-N	582.882	6.600	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409270151	CPHXEABBLWRBQD-MUFRIFMGSA-N	554.441	5.935	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccc(C)cc1	409315667	WIIHMIICOABOKH-MBTHVWNTSA-N	574.415	5.358	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409317112	OXYQPRPJXVQHPR-BJUCDSOZSA-N	654.436	7.519	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1OC	409321160	RTPIJVASHPBUBN-QDTIIGTASA-N	605.283	5.319	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409326802	OKQXNXMKOGCFPO-AQLQTECXSA-N	673.382	6.580	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)ccc1OC	409335554	OYBUCAGFLOLJFS-WGARJPEWSA-N	528.359	5.108	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409369582	PSKRWZMUCOAFJO-RPPGKUMJSA-N	646.650	5.901	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccccc1F	409371311	GTVBBUZGFDFMOU-PXNMLYILSA-N	626.163	6.586	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1cccc(F)c1	409390473	FRKXONDBYSJHQO-IDUWFGFVSA-N	505.156	7.133	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)[nH]c12	409394716	FAVPNUORJHERMU-UHFFFAOYSA-N	677.349	7.360	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409394938	HTLPHNJBXFUAFM-UHFFFAOYSA-N	654.870	8.561	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccccc1	409395112	KALCFFJZTVMELQ-UHFFFAOYSA-N	538.401	6.581	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)cc1	409395275	LVPHULUMAYNMDS-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)c1	409398208	RSJVDPOHYZOOSI-UHFFFAOYSA-N	542.422	7.433	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409399330	ZNVULGIFESVXMA-UHFFFAOYSA-N	601.490	7.199	50	40	KKGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409406525	XAJXGGIKHKRCNM-LQNQUEJISA-N	593.421	5.647	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1[N+](=O)[O-]	409410081	TTZPHXKGHZGQPG-AEUUOICLSA-N	643.052	6.819	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1	1529548191	YTRFPGFRCZQHED-MWKDUONYSA-N	641.577	5.766	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C	1529548851	QWFNPFKGHSPQFI-OPQHIAOESA-N	730.685	6.321	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	2163643	JESULNBNRHZYIK-NRFANRHFSA-N	597.090	7.021	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1	2230412	VMXQELLTYHEXAU-SANMLTNESA-N	544.032	5.965	50	40	KKGB	
CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2	2339649	JBYLFXZZFOPMBD-GHRIWEEISA-N	505.552	5.906	50	40	KKGB	
Cc1cccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2)c1	3092407	MFLZHGSPKXOXSM-LGJNPRDNSA-N	546.215	5.268	50	40	KKGB	
O=C(N/N=C/c1ccc(O)cc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1	3765368	YGYDWUJGWJKZER-VFLNYLIXSA-N	507.497	5.637	50	40	KKGB	
C=CC[C@H]1S/C(=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)N(c2ccccc2)C1=O	8828090	NXCXMZIQJOSTAU-AZJLSSPBSA-N	507.040	5.786	50	40	KKGB	
CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1	9272566	CLJDXQFOYHZDTF-YDZHTSKRSA-N	507.062	5.042	50	40	KKGB	
CCCCn1c2ccccc2n2c(C(=O)N/N=C3\C(=O)N(C)c4ccc(C)cc43)c(-c3ccccc3)nc12	9464925	HGWOFPYTNIBNOI-FSRJSHLRSA-N	504.594	5.175	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)cc1	20188691	CNOXQDXAPUCJRN-MUUNZHRXSA-N	509.631	6.036	50	40	KKGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C/c1cc(O)c(Br)cc1Br	67197064	ZROXXNVPIZOODM-WYMPLXKRSA-N	504.178	5.113	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1C#N	97959650	ITKUFRRDZYDSMN-XAZZYMPDSA-N	546.343	6.081	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12	98008177	ZIENGLAACNCLCY-UMSFTDKQSA-N	558.588	6.471	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1	100047146	SFYQQTMPUDCZLJ-LKIXSWDTSA-N	625.125	6.335	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100120053	IZQHMBOOLREJTC-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122320	FTMULWRYAVLKOI-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(OCC)cc2)cc1	100859856	PZKJCAWHPFLCQP-ZCTHSVRISA-N	544.681	5.539	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1	100963916	VEBXEUWDHWHUHZ-AREMUKBSSA-N	560.676	5.047	50	40	KKGB	
CCOC(=O)N1CCC(=NNC(=O)c2ccc(COc3c(Br)cc(C)cc3Br)cc2)CC1	102978967	OHHSLBXLOMXFBN-UHFFFAOYSA-N	567.278	5.437	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(I)cc1	103884590	MNNRARXDKNKBLV-XHPQRKPJSA-N	619.503	5.863	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	103889638	DVXGUGLVZVOMSL-PXNMLYILSA-N	536.198	7.123	50	40	KKGB	
Cc1cccc(N[P@@]2(Cl)=NP(Cl)(Cl)=N[P@@](Cl)(Nc3cccc(C)c3)=NP(Cl)(Cl)=N2)c1	104258532	OHKZXSYMLBPORA-RNPORBBMSA-N	604.938	12.059	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)ccc1OCc1ccccc1	150412004	RMIPITMZIQTNJO-DPNNOFEESA-N	629.540	5.922	50	40	KKGB	
COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCc1c(Cl)cccc1Cl	245241611	KUWHRDVARISCMH-UHFFFAOYSA-N	577.508	7.436	50	40	KKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC	408539661	JECWHGIUZRDLCO-YQYKVWLJSA-N	504.627	6.396	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(F)cc1	408578887	BMQYFWQUPFGBHT-RGVLZGJSSA-N	512.375	6.647	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)cc1Cl	408580452	PREQTUISNZYIEK-VIZOYTHASA-N	572.511	8.815	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408581320	WDIIHWCAVQKZKF-GZTJUZNOSA-N	510.300	6.521	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408616369	YDSRYDABMJYTRD-XODNFHPESA-N	520.800	5.713	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(F)cc1	408649890	LSRGMXBAKHMHSA-BZDUYGCESA-N	647.122	5.151	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408673219	QJAMDCFEHZPDQC-NCOADZHNSA-N	570.665	5.027	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccccc1F	408676145	GDULONUUNAXHHD-MUFRIFMGSA-N	526.406	5.540	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1)Nc1cc(C(F)(F)F)ccc1Cl	408686195	MUIKTEDBPHOTQE-AHCXZYCDSA-N	577.770	5.269	50	40	KKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCc1ccc(Cl)cc1Cl	408691772	PNZVZONPQDINLV-NVMNQCDNSA-N	604.275	7.533	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc(I)cc1	408712095	ZGZVTBAZWYBGRF-KBKYJPHKSA-N	742.520	6.497	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Br	408722317	HARGJXCQVIBIRQ-LSFURLLWSA-N	507.009	5.847	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3Cl)c2-c2ccccc2)cc1	408742753	YCEVJJZFKZIITJ-FADJLKOXSA-N	548.042	7.405	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1	408743144	DYFWXDQZJHGVAN-ZDLGFXPLSA-N	668.244	6.558	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)c1	408744607	GEPKBSLRCREOMS-ZDLGFXPLSA-N	682.150	7.340	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1OCc1cccc2ccccc12	408748206	ABHSVYSLPLWOGH-KBVAKVRCSA-N	547.449	6.661	50	40	KKGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccccc1I	408756249	YINAITJQHZVSRR-STZFKDTASA-N	580.403	5.758	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc2ccccc2c1	408759323	CFAHTMCMKQPPCZ-QQXSKIMKSA-N	523.430	7.455	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408774908	YPYYMHGWNBIYKI-VFCFBJKWSA-N	514.047	5.091	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	408792715	CBXJFALZAFHJGQ-CAOOACKPSA-N	672.663	7.121	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccccc1C#N	408793088	CZQDFFVKHSEGMM-WSDLNYQXSA-N	516.395	6.153	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795536	VQIHBADRQYMOFY-CXUHLZMHSA-N	594.192	6.631	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(I)cc1	408797004	ZTCTZUPQRXDRGY-CIAFOILYSA-N	678.308	7.036	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(Cl)cc1Cl	408799132	XXEGOBJPFGGJRS-DJKKODMXSA-N	560.275	7.506	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(Br)cc1	408799491	ZOQOOTDARFHYEK-GIJQJNRQSA-N	590.699	7.307	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408824748	HNXQSDUNJZGKBC-OVVQPSECSA-N	593.510	9.159	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(C)(=O)=O	408828202	JGRKQTKCNHDNIK-AMVVHIIESA-N	643.387	5.822	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Cl)cc5Cl)c(Br)c4)cc3)cs2)cc1	408845264	PUHVTIBRTYMWPB-QNVXDBMFSA-N	666.428	9.274	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(I)cc1	408846691	YMPYPOWLPAOXHO-IIHBXENTSA-N	792.359	7.395	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2I)cc1	408847203	ZZQBDNOJHUZGHP-HIWRWHBISA-N	650.464	7.090	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc(C)c1	408850599	PAGMDFMAAZFXCN-QDTIIGTASA-N	572.253	6.618	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2cccc(Cl)c2)cc1	408864138	SMPFXVKALCANDH-XICOUIIWSA-N	598.124	6.726	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c(OC)c1	408871076	XQARYUVZWOZWQK-DJKKODMXSA-N	531.823	6.466	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)c1	408872220	BGOOOWIIMUSOFH-ZMFRSBBQSA-N	550.780	5.305	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	408879360	FVFYWIHCLFABEL-OVCLIPMQSA-N	591.201	6.438	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1Cl	408882635	RMBLWMVXDHTQSL-YBFXNURJSA-N	602.812	6.166	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408893212	DAWIHNZYAYUEQK-AWNIVKPZSA-N	574.289	6.065	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408904215	GOKFCUJEMGIYDD-PPDIBHTLSA-N	591.256	5.961	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(F)cc1	408925136	QBWCYHDWLVDSFF-FRKPEAEDSA-N	609.235	7.327	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C#N)cc2)c(Br)c1	408940131	BVKAGXBPMYMSCY-NDEPHWFRSA-N	741.462	5.547	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c(OC)c1	408952927	LAUVZZQOTQCOKL-NAWMDJKCSA-N	893.300	6.510	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(C)n(Cc3cccc(Cl)c3)c3ccccc23)c(OC)c1	408958595	ZITUIMCJSBQPEL-BKPWZQFFSA-N	644.128	5.380	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccccc3OCc3ccc(C(=O)O)cc3)oc12	408959760	FIKRGJPEAKQUSN-UVHMKAGCSA-N	523.339	5.245	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC	408970203	CONAZKMNICIWHC-CFWTXEOSSA-N	650.341	5.454	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(I)cc1	408983120	KRDZKHXTACUVFZ-NDENLUEZSA-N	572.830	6.776	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)cc1	409027612	NNPKDISCCPXHLD-ZCTHSVRISA-N	593.547	5.765	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccc(C)cc3)o2)cc1	409028924	UAOAKZFQNYXRAI-BIZUNTBRSA-N	573.671	5.394	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccc(C)cc1	409031008	FZBJWJZMSCECIZ-XZYGTATASA-N	597.140	8.257	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409038895	FVEPJYNQVKGKII-DLCNMLRHSA-N	633.315	7.909	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409049618	XISABWXFWQHSAQ-DEDYPNTBSA-N	581.410	5.562	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1	409070879	MGPFRHXCMWLSNH-XNTDXEJSSA-N	596.684	6.178	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409081360	NUKLWVWZARCGAW-MHWRWJLKSA-N	583.351	6.011	50	40	KKGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409114625	IPFSHZWRPVFDDY-VUTHCHCSSA-N	509.603	5.092	50	40	KKGB	
Cc1[nH]nc2c1[C@H](c1cc(Br)c(OCc3ccc(F)cc3)c(Br)c1)C(C#N)=C(N)O2	409123243	AZBAQBZPRUTTMX-GOSISDBHSA-N	534.183	5.179	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409128422	FJBBLAXOQLOFHA-JOCHJYFZSA-N	518.194	6.259	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409138510	CZFDIAAELRTIAV-GDLZYMKVSA-N	586.530	6.564	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccccc1F	409146878	UHAXBPRPGDJRDH-SANMLTNESA-N	554.062	5.839	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409191072	ZINFORKXCWNCIB-HQDYHJHZSA-N	637.416	8.414	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409219105	IYPRJZFSTYYRJK-PJGCXOLISA-N	658.421	5.901	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Br)cc3)cc2)cc1	409219935	WSAWFKNCUBDUAO-LJUMEUDFSA-N	601.413	5.901	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)/C=C/c1ccccc1	409224629	LANFXMVRCCRNBN-XZUKFTLCSA-N	568.029	6.374	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)c2)cc1OCC	409224875	NLVNXXOFFFBCIO-UHFFFAOYSA-N	581.625	5.728	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409225306	ODDNSPKQWLGUPL-UHFFFAOYSA-N	600.380	7.248	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccc(Br)cc1	409233794	XJFWRRIPLMSBFQ-KBKYJPHKSA-N	594.329	5.448	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409254551	DUCXNBSUBFYUJW-WSDLNYQXSA-N	562.464	6.255	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409260859	XPMBDJHBXNWGCQ-XESQOAJGSA-N	516.812	5.729	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)[C@H](O)c1ccccc1	409264114	JXLITBKIFJAKKL-KSRKCLLLSA-N	552.650	5.628	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409267599	OLHGPFITYBANKI-RGVLZGJSSA-N	571.983	6.938	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1	409357739	RBECXOCVNWYWSO-KVSWJAHQSA-N	567.786	5.234	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409360139	LMMXWQIDCMVXFT-MBTHVWNTSA-N	515.835	6.081	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCc1cccc2ccccc12	409366579	WNLGQGWBFQOTHH-LJUMEUDFSA-N	578.450	6.342	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1I	409371419	IXYCYJKIRSAJDD-MLPAPPSSSA-N	546.102	5.267	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12	409373535	QGONHYDAHZZBKZ-KCSSXMTESA-N	504.542	6.043	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409374459	QBIFFCNXLFDGFG-WOJGMQOQSA-N	519.355	6.275	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(F)cc1	409384539	DFQZVBYJOJIRNW-XODNFHPESA-N	527.961	6.344	50	40	KKGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccccc1F	409388634	VSHYBYAYZXHCCP-OHUYPAJKSA-N	565.630	6.474	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)cc(OC)c1OC	409394451	AOEOGECJICKIMG-UHFFFAOYSA-N	697.369	7.913	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)cc1	409394709	DYCVHWOQUAQFNV-UHFFFAOYSA-N	649.872	7.085	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409394748	FJMPGXKNPDUMJB-UHFFFAOYSA-N	705.993	7.326	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3Cl)c2c1	409395602	PQABFNQMVXKEGR-UHFFFAOYSA-N	785.873	8.421	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)cc1	409395666	QMCBVDKOONXQRJ-UHFFFAOYSA-N	507.521	5.966	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)cc1	409396455	YMHCUQCJXFCSQV-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409396624	ZMFCOYDJGOUDGQ-UHFFFAOYSA-N	820.716	8.785	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)c(-c3ccccc3)c2c1	409397188	HFRJRKUPMBFQFX-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397423	JRWLTOCWDQSGFI-UHFFFAOYSA-N	598.055	6.806	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(O[C@H](C)C(=O)O)c(Br)c3)o2)cc1	409400254	CHMZQTYXMQNSDA-TXLLAZTHSA-N	614.880	6.298	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCC(=O)Nc3cccc(F)c3)o2)cc1	409402395	KAORJRKOHKGENL-CLHYIUPASA-N	623.685	6.253	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc2c(c1)OCO2	409404785	QZZDHHNAAHCZND-OCUJFKKWSA-N	765.455	8.261	50	40	KKGB	
C=CCOc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409405040	RVQZOZLQGKXJFX-ZMGVVAQMSA-N	612.908	7.019	50	40	KKGB	
O=P(OC[C@H](Br)C(F)(F)F)(OC[C@@H](Br)C(F)(F)F)OC[C@@H](Br)C(F)(F)F	1083812596	WSCIJIIKGKUROW-PBXRRBTRSA-N	622.835	6.122	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	1529548161	ATQSXWBERLUKSF-BAAQWRSWSA-N	711.668	6.585	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1	1529548934	QMQQEQQRFVIPMK-HLRVFXRASA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(Cl)cc3)cc2)sc2c1CCCC2	1785169	GEWCECUWYZVXND-YEVVNVGGSA-N	554.068	5.627	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3)nnc2-c2ccc(Cl)cc2)cc1	1817749	QEFJXRLWIHAYRA-LQKURTRISA-N	522.030	5.237	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)s1	1876043	NAXHCYIKCMSARL-RWPZCVJISA-N	564.465	5.133	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)nc3sc4c(c3c2=O)CCCC4)cc1	1901918	YGUMLUQJWRRSFC-VFLNYLIXSA-N	557.528	6.184	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	2166422	ZUGPCYLPQLXTGU-ZCTHSVRISA-N	562.047	5.213	50	40	KKGB	
N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1	2360120	XYGHEQLKLQIUTM-AEPTXUNZSA-N	512.393	6.197	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Br)cc1)N2	6445793	LNVPUJUQFGAFCB-LVTPPWGZSA-N	559.869	7.094	50	40	KKGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)COc3ccc(Cl)cc3Cl)ccc21	8742341	RQPVPNBYDSGLTK-OKCVXOCRSA-N	511.409	6.021	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)N1	19940022	IXLZEMGILUMLGZ-QHCPKHFHSA-N	515.462	6.647	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccncc2)cc1)S(=O)(=O)c1ccccc1	20232350	WTVPDZPGKXGUAT-UXHLAJHPSA-N	519.026	5.203	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(CC(C)(C)CC3=O)N2)c1	20347713	KCCULDLZRQJTBB-XMMPIXPASA-N	502.596	5.340	50	40	KKGB	
CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc(Br)c1O	56683787	VBOYROZTAOUDDO-INIZCTEOSA-N	520.836	5.426	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1C	58915398	XBRSTVAUVODRIY-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	59245211	OEEDFWIHGLTHFM-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1	59335149	PLRSJVUDPFPMSL-QJOMJCCJSA-N	508.603	7.008	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)c2ccc(Cl)cc2C)cc1	59857408	PSEQZCVHPSEPEC-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
CSSCCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H]6C[C@@]67C5=CC(=O)c5ccccc57)cc4c3)cc2c1	95574402	LMJIHUHQBTUVRR-SMWWQBHQSA-N	647.782	6.735	50	40	KKGB	
CCOc1cc([C@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(I)c1O	97959978	CRWMSCLITBKRTI-KUDFPVQQSA-N	542.421	5.261	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125283	ZFCXJQHTIHWRHF-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)NC3CCCCC3)o2)Cc2ccc(Cl)cc2Cl)cc1	100139595	IRYXGOGSABSYAK-ACXHZZMFSA-N	605.544	5.185	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1Cl)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	100849093	BLFXGIMTHXWAFI-ZYGWBPEKSA-N	528.848	6.712	50	40	KKGB	
N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)N=C2CCCC(O)=C2[C@H]1c1ccccc1F	102576739	NRYIYNIDWHMIRQ-NDEPHWFRSA-N	509.606	7.193	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccc(F)cc2)=C(C)N1	102808906	AWLNMHCRGVTCQP-RUZDIDTESA-N	553.015	5.787	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc1COc1ccc([N+](=O)[O-])cc1	103253715	OLIBVAHFLOSJFA-LJAQVGFWSA-N	595.612	6.031	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)COc4cccc(N(C)C)c4)c3C)sc3c2CCCC3)cc1	103867131	FKGQAPOAFMSHGC-FZKWRIDDSA-N	583.758	6.190	50	40	KKGB	
CCOC(=O)CN1N=C([PH](c2ccccc2)(c2ccccc2)c2ccccc2)CC1(c1ccccc1)c1ccccc1	104126594	VZZRVKZUGCURHZ-UHFFFAOYSA-N	570.673	6.239	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1	104402996	KNVSBKHWGQFNMR-JVWAILMASA-N	544.389	5.432	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)c(C#N)c1C	107651298	HBTAUKNVQLFWRT-CIAFOILYSA-N	549.048	6.455	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12	108612735	HDUZUBSFFJVPCK-OHUYPAJKSA-N	526.423	7.552	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2cc(I)cc(I)c2O)nnc1-c1ccc(C(C)(C)C)cc1	150408815	LAFOVGIPIABCBQ-RPPGKUMJSA-N	689.361	5.420	50	40	KKGB	
C[Si](C)(CCCNC(=O)c1ccc(Cl)cc1)O[Si](C)(C)CCCNC(=O)c1ccc(Cl)cc1	195798331	QBIOKLJOIFPSHW-UHFFFAOYSA-N	525.625	6.360	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1	197825327	OPUKSQJYMZJTRP-CHSHITCJSA-N	673.113	5.442	50	40	KKGB	
O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1	209524554	KRWVKLJRIUWIIL-KKMKTNMSSA-N	572.209	5.999	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)Sc1nnc(S[C@H](C)C(=O)N/N=C(\C)c2ccc3c(c2)O[C@H](C)C3)s1)c1ccc2c(c1)O[C@@H](C)C2	257345361	XOXIDXFOQLFJPV-ZDFKGWOLSA-N	638.841	5.227	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554083	YXUMKTAMDAXJOR-AIMOZCANSA-N	773.924	9.457	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408554153	ZUVMYAHPOUJHAM-QEQQSIKZSA-N	685.420	8.949	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408568892	LJSICUYFPHUUFX-KBVAKVRCSA-N	549.117	7.080	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408724342	BSWUIDNHPMNIAW-WQRHYEAKSA-N	585.354	5.341	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	408743041	DFBUMNAPPCMGAB-ZDLGFXPLSA-N	560.673	7.298	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1	408746341	RWUQDEOEEMOWSV-YVLHZVERSA-N	654.217	6.168	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408746992	XSIFQABBVOBELS-ZDLGFXPLSA-N	541.785	5.934	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)cc1	408755828	WJOOJBSLUMVTJU-FUGGPRTCSA-N	543.689	5.571	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1)Nc1ccc(Cl)c(Cl)c1	408760750	FJMKVWWWECSOCH-RPPGKUMJSA-N	568.198	5.379	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)c1	408785963	CRYNHFRWQTVTKI-ULJHMMPZSA-N	563.439	5.434	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408789171	KIHDEHJHSGAOOI-BKUYFWCQSA-N	601.328	6.599	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1	408796232	OPCDNKDDFFUNNV-DEDYPNTBSA-N	542.804	6.632	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408799387	ZADOWYCCUIVPEK-OEAKJJBVSA-N	744.221	8.520	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1cccc(Cl)c1	408807790	LBGKEORFNWQRPL-KEBDBYFISA-N	572.830	6.695	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408817389	NGGJCBYJYNNSCI-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408826334	LHFCRMYROLJPCX-LPYMAVHISA-N	598.313	9.004	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OCC	408831133	PVJOPWFURSUQFR-HZHRSRAPSA-N	545.433	6.293	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OCc2ccccc2)c1	408834694	VTSPGXMQROXSOA-OVVQPSECSA-N	504.586	6.707	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)c3c(C)nc4cc(C)ccn34)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408836206	ZLOFIZHGXDABBC-KYHGBAKBSA-N	590.105	5.661	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1	408837958	PWGYSGBAGLPWKP-OBIOOVRGSA-N	600.140	6.856	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2Cl)cc1	408838487	FSMBXISOFSMPDL-XJECJHNESA-N	601.559	8.820	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5ccc(Cl)cc5Cl)c(I)c4)cc3)cs2)cc1	408843045	LJLGYROTVRHZSG-IRWBXMRWSA-N	839.324	9.721	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408846730	RGKRGGINJKDUHW-UHFFFAOYSA-N	609.343	8.057	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)cc1	408850800	RHOLMHJKWQVFOW-QJOVZPHJSA-N	704.406	8.471	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2cc(Br)ccc2o1	408853924	ZXSOXKHFIQSBAM-BCHBDCPOSA-N	572.209	6.029	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1	408860672	BLHWZVPFZUJANU-SBWWSWLISA-N	662.768	5.550	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1	408862914	NRRRJQQOEGTTHL-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408871247	WNBOPSLNBONPJY-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)Cc2ccccc2)cc1	408877128	QDGARSCHEJUPOY-MZFJOGFUSA-N	542.705	5.361	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OCc1ccc(Cl)cc1	408882047	PTRGHDPAINHCKY-KKMKTNMSSA-N	532.474	6.433	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1	408884648	VFKCVPRJTQPSKU-YBFXNURJSA-N	545.355	6.991	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OC(=O)c1ccc(C)cc1	408892558	CAXPGCGEUONOKY-RQZCQDPDSA-N	526.332	5.984	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OS(=O)(=O)c1ccccc1	408899985	SCDSICYEWZKNRY-RCCKNPSSSA-N	533.005	6.205	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OCc1ccccc1C	408922901	HMUFYBNKOVMDOU-RGVLZGJSSA-N	572.830	6.695	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)c(OC)c1	408954919	NRFSDEGHOFERKP-SVYXRYDESA-N	687.149	5.810	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	408960353	FECSJDZVALJIRE-YVNNLAQVSA-N	523.137	5.195	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCC	408982129	GCVZUZUNLVBQPV-OQLLNIDSSA-N	510.759	5.596	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408986118	ZPUQAQHNBRPWGY-ODLFYWEKSA-N	572.786	6.076	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1cccc(F)c1	408990534	NTAHHLAJYIFHPB-QRVIBDJDSA-N	504.989	7.039	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1OC	408998426	BGBAOQIZNXCKQA-UCMJSZAQSA-N	609.148	5.148	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)ccc1OC(=O)/C=C/c1ccccc1	409001325	HSUOUFZFCHGZCE-FDMPGDAISA-N	612.480	6.483	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCC(=O)Nc1ccccc1	409018468	VYDSLOIUWNXGLX-NUJZUDFISA-N	617.827	5.871	50	40	KKGB	
CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409020203	ZUTZRMNNNZXXPT-HNNDCAHOSA-N	599.946	6.710	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	409026235	JNUPMZNZQOFOCR-KCSSXMTESA-N	583.541	6.309	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409054499	GQBQAEONHJJBKB-RPPGKUMJSA-N	546.215	5.212	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1Cl	409055604	ZTIWHOKCQJCWNS-LUOAPIJWSA-N	573.645	6.903	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1cccc2ccccc12	409140914	GWBWPAXCKPSWOJ-SANMLTNESA-N	576.390	5.956	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc(Cl)cc1	409184040	HXHRXCQOLBZAQY-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409191753	MEZVGBUSQVDBHP-LGJNPRDNSA-N	579.778	5.594	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1	409200899	KEDYMIYTBZJRFS-XODNFHPESA-N	507.414	6.353	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409218062	GZTQBNLKZWQOPA-XMHGGMMESA-N	505.958	5.310	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1	409226444	WFZZNFRNLFVXJY-UHFFFAOYSA-N	641.305	7.000	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc2ccccc2c1	409246659	KHNORWDHNYKJBP-OYKKKHCWSA-N	516.519	7.382	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2I)cc1	409250199	QAJCCNGRBNPCHW-NVMNQCDNSA-N	688.225	7.348	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409250381	KQDUPFYTOKIIAO-NUJZUDFISA-N	558.860	5.899	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409259504	ZVJBGMJOIOBASP-SRZZPIQSSA-N	596.909	6.990	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1	409261684	AHBFDEOTAVVBIS-LDADJPATSA-N	584.854	6.073	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1OCC	409309169	CMRFRKQRWSRDJQ-RHANQZHGSA-N	552.425	5.194	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	409312426	KVWWCANUHURJJW-DXJNIWACSA-N	525.561	5.915	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1OCC	409333870	KAZGRCGXVAZDQV-NTFVMDSBSA-N	511.416	5.898	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(F)c1	409368781	MCXNAFGZWAOKLI-PPDIBHTLSA-N	573.271	5.236	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)[nH]c2c1	409391811	LNPSKCJOJSBLCD-NVMNQCDNSA-N	534.366	5.684	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cccc(F)c1	409394134	WEKAUVBSHNMXGJ-SOFYXZRVSA-N	556.056	8.301	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396494	SVMTXNOBXFOWTR-UHFFFAOYSA-N	619.674	6.767	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C#N)cccc4c3-c3ccccc3Cl)cc2OC)cc1	409397256	HYFABYJQUOWBMF-UHFFFAOYSA-N	579.012	6.360	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409399357	ZVYFHRCWHOUPEG-UHFFFAOYSA-N	616.457	7.059	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Br)c1	409401068	GGVUGUQWCAASLM-KMUKQRDJSA-N	612.524	7.680	50	40	KKGB	
O=C(OC(=O)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl	885164030	DGLKNPYJZVHBEZ-ZXEGLVKPSA-N	941.753	10.959	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(Br)s1	1474710	ZCJABPFBGLDISE-BHGWPJFGSA-N	578.315	5.158	50	40	KKGB	
CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1	2328651	LLXKKRHPOVWQFW-LQKURTRISA-N	506.031	5.537	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	6445728	ZAWQUPRDFTZIQP-FPVDIDMMSA-N	561.041	5.189	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	8984270	SUNNKJMVAJGZJQ-DIBXZPPDSA-N	500.584	5.092	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c1	9261663	OSFHUQMTTWXCML-CPNJWEJPSA-N	511.363	5.643	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccc2ccccc2c1	15930282	QGYJANPAOFBLCK-ZFNHKAKMSA-N	520.662	6.054	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1	16712150	QXVZMAGUWQAHHW-STKMKYKTSA-N	518.642	5.994	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1	18173674	YBHXXTAHQIVHPT-QNKGDIEWSA-N	506.602	6.399	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1	20522796	OZYVFNLBJFKGDG-UXHLAJHPSA-N	515.407	6.371	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	97951888	SPFHFJNCCHLDKJ-HHHXNRCGSA-N	548.039	6.290	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	97960757	KRDKAJPXGVATDC-MHWRWJLKSA-N	520.754	5.209	50	40	KKGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	97962092	UBFQSUQSNPWBKX-YFNVLSEKSA-N	664.325	6.904	50	40	KKGB	
CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)c(OCC)c1	97965824	HVMCMHUXFDGBDD-CIAFOILYSA-N	553.080	7.225	50	40	KKGB	
CC[C@@H](C(=O)c1ccc(Br)cc1)[C@H]1[C@H](C(=O)NN=C2c3ccccc3-c3ccccc32)C(=O)OC1(C)C	98008027	QQYBXONNHLASCK-WVQWTBLQSA-N	559.460	5.775	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	100065231	KGELWCMTPRCYMV-JVWAILMASA-N	569.308	5.800	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100122856	BVKIFYNBEFJPTR-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c(Cl)c1	100133834	SEGIDXANSQDREC-JRZNSJKLSA-N	603.553	9.290	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2F)cc1	100139178	XVHPMBQUMKVRNA-KCSSXMTESA-N	566.054	5.712	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1cccc2ccccc12	100179510	XISBCZZYLOOANE-KCSSXMTESA-N	539.429	7.107	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	102808224	LDHUQCVBVHOIRR-DEOSSOPVSA-N	572.996	6.658	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccc(C)cc1	103900438	COWWORJXGAVSBI-ATZGPIRCSA-N	613.567	6.372	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)Oc1c([C@@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	104161516	XPISAGAWGZFJIV-QHCPKHFHSA-N	506.684	9.183	50	40	KKGB	
CC(=O)N[C@@H](c1nnc(Nc2ccccc2)s1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	105015187	MEXZBCCSVHIHDL-HHHXNRCGSA-O	509.595	5.411	50	40	KKGB	
FC(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342001	BUAAVDXDOPAHDG-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	150434386	GRPZNSCNDICABU-JEPNHJGPSA-N	656.588	6.715	50	40	KKGB	
COc1cc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCCl)CCCl)cc3)c(OC)c2)ccc1NC(=O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	150489245	GEHPPASDNBHXTE-UHFFFAOYSA-N	860.666	6.812	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408538589	OYYVNMOQIIZDDZ-YUMHPJSZSA-N	583.084	7.759	50	40	KKGB	
COc1cc(COc2ccccc2/C=N\NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccccc1	408540170	OBLJKSKMJMHNNB-QHDYCIAZSA-N	530.624	6.699	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408543204	NNRTXLPUVHXKEX-GRSHGNNSSA-N	564.392	5.028	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)N4CCCCC4)cc3)c(OC)c2)cc1	408543402	QWKWXQBFDQDEHI-XHPQRKPJSA-N	539.632	5.845	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccc2ccccc2c1	408548828	LTLXQAKCDDTTEH-KSEXSDGBSA-N	563.245	7.706	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408570770	YIASZMAUBTZTTO-KCSSXMTESA-N	583.175	7.054	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408681951	JWFRKWJBDBYSRM-BDYUSTAISA-N	597.292	7.790	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)cc(I)c1OCc1ccccc1Cl	408725802	KQTICYTYBYEMKL-MZJWZYIUSA-N	564.807	5.695	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408742950	CVWGCSARIVXENG-WQRHYEAKSA-N	590.699	7.388	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408744683	MMSTWJPEFSWIKN-UNOMPAQXSA-N	541.829	6.634	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	408745188	PYMOTPXPLVEASS-ZDLGFXPLSA-N	544.218	6.784	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408746789	HBWBPQQAJKCHSL-LJUMEUDFSA-N	559.416	5.143	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)ccc1I	408747314	LZUOEYLBSSJQMD-LUOAPIJWSA-N	681.095	6.554	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1I	408747601	QDLOKNSOBNUULJ-KKMKTNMSSA-N	585.225	5.958	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)o2)cc1	408753529	NFJDRCJIVPKXCF-BIZUNTBRSA-N	518.654	6.507	50	40	KKGB	
N#C/C(=C\c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cccc(I)c1	408759124	YDCBRCPNFWLVFB-OQKWZONESA-N	594.408	7.362	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408776153	UPXPQGGSLNFRGW-RDRPBHBLSA-N	527.090	5.149	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408840355	AYUFYLOYMTZJEL-IZYHBKOJSA-N	666.514	6.653	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccc(Br)cc2)cc1	408840999	IBFIUBBZVQJSOH-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(O)c(I)c1	408841509	HKDXQJYOVLCPRW-ZNLRHDTNSA-N	625.208	5.671	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OC	408845150	PAMXSXYGFCQQBO-WKULSOCRSA-N	521.042	6.687	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccccc1C#N	408846970	RZKZOKISBHSVNN-RQRWGXNHSA-N	687.019	8.583	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408863346	MANADBOQVZOCBL-QXUDOOCXSA-N	650.754	5.309	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OC(=O)c1ccc(OC)cc1	408887661	SHIVWLCWQUOQGL-PXLXIMEGSA-N	618.427	6.617	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccccc1-n1cccc1	408889173	FHWWYBUCGFTXPE-WKULSOCRSA-N	681.699	6.683	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(Cl)cc1Cl	408897612	YXIRGYNNIWODMS-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccc(F)cc1	408926189	VWKWYYRCYKNHPJ-GIDUJCDVSA-N	642.208	6.779	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	408934855	DKKVCTVMBLWEEC-IPHFVPNQSA-N	546.602	6.373	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C	408940795	CZFWYEOUZRUCQB-MGBGTMOVSA-N	621.763	5.646	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(C)c1	408965582	WBPGSJGECNFQBS-AMVVHIIESA-N	535.360	6.518	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCCOCCOc1ccc(C)cc1	408970827	KUIGIWDUPCNOTO-JJIBRWJFSA-N	535.040	6.376	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408991919	PFBJJBUFSWLZLK-ZSYWYLNFSA-N	703.202	7.589	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccccc3)cc2)cc(OC)c1OC	409010795	LJHRGFCATUWUMQ-BDNKRSMCSA-N	699.716	6.567	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccc(Br)cc1	409018054	XETTYAWTLBUXJD-KVSWJAHQSA-N	684.122	6.914	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409033835	MAZPXFWPYAIKLC-DLCNMLRHSA-N	696.770	8.265	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	409046142	JADHLIBVSUGWKI-UDWIEESQSA-N	596.706	8.143	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(F)cccc1Cl	409058660	URMRPZCQEYFHKY-IPBVOBEMSA-N	563.265	5.781	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409074936	ONWMSNCVMHKOFL-FYJGNVAPSA-N	505.401	7.905	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1	409076043	WXLJSFBAWMFRDW-XMHGGMMESA-N	571.449	5.560	50	40	KKGB	
CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2F)c(I)c1	409080128	LMDHKJKXPRRHAA-AUWJEWJLSA-N	577.131	5.084	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	409081092	MZOLELNDDSLIJL-OQLLNIDSSA-N	639.324	6.573	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409082307	IWKYUFOAIGCWAX-LICLKQGHSA-N	557.300	6.363	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409093285	YPEOHMTZDNXOPO-MHWRWJLKSA-N	542.426	6.258	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)cc2)cc1	409113019	GGELXZNKOPTWTK-ZCTHSVRISA-N	528.678	5.608	50	40	KKGB	
Cc1[nH]nc2c1[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c1)C(C#N)=C(N)O2	409133123	MPJXIXSDZIULQO-GOSISDBHSA-N	585.083	6.347	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)C2=C1CC(C)(C)CC2=O	409136826	VUHNARGULYTQDB-XMMPIXPASA-N	743.811	6.511	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1	409155635	QNWYJFQOJAOUDD-VFLNYLIXSA-N	655.276	5.103	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)cc2c1	409188833	GRPVMAIRHHELCV-NUJZUDFISA-N	513.377	6.490	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409203111	WJHYQCRBVJIQSU-HZHRSRAPSA-N	552.612	6.106	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409208154	BITHNFHYAIMXRZ-XODNFHPESA-N	523.869	6.867	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1cccc(C)c1	409225151	PBFNPFUAIXFXRP-UHFFFAOYSA-N	556.018	6.283	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)cc(OC)c1OC	409226138	SHURGHHDTKFXKA-UHFFFAOYSA-N	622.428	5.303	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409226873	XNMYYPUXAUBSLV-MHWRWJLKSA-N	530.795	6.219	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1O)C(=O)Nc1cccc(C(F)(F)F)c1	409234613	LYQMMQJWGOOHLC-WMZJFQQLSA-N	584.073	5.166	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1	409255234	LALJTHIFELJPEY-DHDCSXOGSA-N	624.116	7.082	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2C)c1	409260277	NTQVHNJIWCMHQR-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409264240	PYSYNANEQDIHAT-YBFXNURJSA-N	557.956	6.629	50	40	KKGB	
Cc1cccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)c2)c1C	409264559	MFWVPVNZHBPRJE-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409310858	WZVTWTVOHLSXSY-NHCUHLMSSA-N	568.866	5.155	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OCC	409312635	MZVROLFMSPCGSF-NTFVMDSBSA-N	509.946	5.555	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OC	409318594	XEICXQVVVXRYPM-MUXKCCDJSA-N	547.833	5.861	50	40	KKGB	
C=C(Nc1cc(C)ccc1N)/C(C#N)=C/c1cc(I)cc(I)c1OCc1ccccc1	409335204	OWVMEKDKMFNRBQ-RGVLZGJSSA-N	633.271	6.898	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372402	XFCOXXDWBILJDH-NVMNQCDNSA-N	514.173	6.763	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409385185	HZOHKTJASHOGNX-MOSHPQCFSA-N	564.436	5.728	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(Cl)ccc3OC)c(-c3ccccc3Cl)c2c1	409395414	NHJJRUVOJSWRLH-UHFFFAOYSA-N	681.370	8.295	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)c1	409396728	AMVHOVLGMORXKG-UHFFFAOYSA-N	649.872	7.085	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)c1	409397751	NQDCCFFDBFVUCY-UHFFFAOYSA-N	536.031	7.397	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1O	409402608	KDGPRJQMXIJFOE-FDVSRXAVSA-N	507.974	5.788	50	40	KKGB	
CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@H]2OC	642883013	KASDHRXLYQOAKZ-ADFXQKJCSA-N	810.466	5.719	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccccc2)c(OCC)c1	1529549178	ULXWXFKUZLBSSX-HZVMTCHJSA-N	728.609	5.154	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)s3)nc3sc4c(c3c2=O)CCCC4)cc1	2211018	KVBXSYSSVMXQFD-LGJNPRDNSA-N	508.694	5.247	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)NC2=C1C(=O)CCC2	2312445	XRCOYDXNKCAAPF-AREMUKBSSA-N	501.652	5.812	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(Br)c1OCc1ccccc1	6166410	JHMNSFDVIJHOGU-FVVRGLPMSA-N	609.546	5.644	50	40	KKGB	
CC(C)(C)c1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc(C(C)(C)C)c1O	8410873	NJOCHMGUTKKCKH-HXUWFJFHSA-N	521.459	6.358	50	40	KKGB	
CCOP(=O)(CC(=O)N/N=C/c1ccc(OC)c(COc2cc(C)c(Cl)cc2C(C)C)c1)OCC	9185239	IKHZDLVJVYTXMF-MZJWZYIUSA-N	524.982	6.076	50	40	KKGB	
COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3cccc(Cl)c3C)CSC2=C1C#N	9693454	CPNJGXYYWJNFNR-HNNXBMFYSA-N	504.837	5.639	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)c1nc2ccccc2s1	12585876	SJHILWMFIQPSHI-XMHGGMMESA-N	511.400	7.495	50	40	KKGB	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)Nc1sccc1OCc1ccc(Cl)cc1Cl	12956414	XRZJUMSBHSUEQG-UHFFFAOYSA-N	511.740	6.850	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1	15223109	ZJMVZMUIOLASSJ-CVKSISIWSA-N	512.360	5.028	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)C1=NNC(c2ccccc2)(c2ccccc2)C1	33355012	WJOYEHKKVPQHLT-HNSNBQBZSA-N	646.339	6.174	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2cccc(Cl)c2)cc1	59856006	MSCHQAIUYPKCMB-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccc(C)cc1	59888840	FIEAALBTXRNXST-UZWMFBFFSA-N	537.641	5.656	50	40	KKGB	
Br[C@@H](CC[C@@H](Br)[C@H](Br)c1ccccc1)[C@H](Br)c1ccccc1	68564401	DULGBCUTCPPZQP-XMTFNYHQSA-N	553.958	7.566	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccc(Br)cc1	97961071	FKJZCQVTPULBIU-YZNMXCRDSA-N	659.512	5.803	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1c(Br)cc(Br)c(O)c1Br	97965033	DZZJTSFSLSBJTA-PGGKNCGUSA-N	619.933	6.288	50	40	KKGB	
CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)c(OCC)c1	97965821	BULLKBIVVSJJNX-KGENOOAVSA-N	532.618	6.212	50	40	KKGB	
C/C(=N/NC(=O)CN1C(=O)N(c2ccc(Cl)cc2)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C)c1ccc(Cl)c(Cl)c1	97966499	NZCCMQKIUYKQKA-FOLUOZAVSA-N	652.366	7.111	50	40	KKGB	
CCOC(=O)c1c(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)c(C)n(-c2ccccc2)c1C	97980968	XMQNMNNPUJTFIS-UZWMFBFFSA-N	588.686	5.234	50	40	KKGB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(I)c(O)c3)c2-c2ccccc2)cc1	100082086	JGBVYXBQZYABGV-FMFFXOCNSA-N	597.456	7.194	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100118509	YQOLOIMRDDYPKI-FADJLKOXSA-N	597.140	6.907	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccccc2F)cc1	100124032	IABWIYADKLKKHE-KBVAKVRCSA-N	536.604	5.026	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126471	MYLURGGHORNFOF-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
CCn1c(SCC(=O)N/N=C\c2ccc(OC)c(OCc3ccccc3)c2)nnc1-c1ccc(Cl)cc1	100838164	AOLSTYQIRCYULH-MWLSYYOVSA-N	536.057	5.448	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1	100846818	JFBCYRLSCMHAGK-ZYGWBPEKSA-N	528.848	6.712	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)ccc2OC)=C(C#N)[C@@H]1c1ccco1	102513110	YIYXKDOPFHHGFJ-AREMUKBSSA-N	593.061	5.435	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	102552650	YCCMXQKKKKEGJN-UMADGWCESA-N	536.679	7.084	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(C)c3C)=C(C#N)[C@@H]2c2ccco2)c1	102808515	CYOXDZBDYKQIPK-MUUNZHRXSA-N	558.660	5.620	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	104952136	OVHYPXYQUUTHGW-LDADJPATSA-N	531.468	7.354	50	40	KKGB	
C=C/C(OC)=C(\C=C/CCN1C(=O)/C(=N\NC(=O)COc2ccc3ccccc3c2)c2ccccc21)OCC	105017446	HGMZVJBZMAIFRE-CRHUYSCPSA-N	525.605	5.113	50	40	KKGB	
CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@]2(C[C@H](Br)Cc1ccccc1)[C@]1(C[C@H](Br)Cc2ccccc2)C(=O)[C@]2(C)CC[C@@H]1C2(C)C	150343176	DSLHNLQYIWSSJN-ROXGKMIESA-N	696.608	9.802	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	162473566	LMTPWJWTSTVENR-DPNNOFEESA-N	672.985	6.044	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc(I)cc1	211040276	WDPZHCYNYQFJDE-WGOQTCKBSA-N	581.863	5.065	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408537683	GUSFMHFNFISJNO-RYYXGZFZSA-N	753.708	10.190	50	40	KKGB	
COc1cc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1	408538845	CKWYMRWORMZHFE-UQQQWYQISA-N	525.004	7.052	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Br)ccc1OCc1ccccc1	408541361	ZGRRSLHMNIFGCH-CVKSISIWSA-N	676.405	8.622	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c1OCc1ccc(Cl)c(Cl)c1	408606758	ATLSWYPKEKDPSX-VFLNYLIXSA-N	520.800	5.001	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408711880	ORRAONFVELDUBE-UVHMKAGCSA-N	613.677	6.449	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc2ccccc2c1	408742513	ANXHLAPYARYXOW-OYKKKHCWSA-N	574.418	6.886	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	408744299	XQXVNNDVOGNLHT-PPOKSSTKSA-N	576.678	7.361	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c1	408744953	IRMYIJZSXZAKQN-ZDLGFXPLSA-N	574.244	6.874	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	408747036	YDUSHQCGDHSFIU-OQLLNIDSSA-N	616.324	5.463	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	408749554	HNEGGECJBWETNX-RHANQZHGSA-N	502.958	5.042	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc2ccccc2c1	408764604	XSLZVBHMJOIELO-QRVIBDJDSA-N	513.391	6.736	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(I)cc1	408773952	NFCDUSYMEBSUOD-YZSQISJMSA-N	626.314	5.098	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1	408778024	OPMNAUSSHYYUOD-CHHVJCJISA-N	559.629	5.718	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2cccc(Cl)c2C)cc1	408778613	IOOZOLJZEVVHRT-UHFFFAOYSA-N	532.150	6.929	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408787365	YRMZAXIQJSLTMG-STZFKDTASA-N	579.451	6.337	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(I)cc1	408787445	AFEWMZXWPZZUBI-LICLKQGHSA-N	670.672	6.682	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408787547	BRTWRCSWGZVXJK-OEAKJJBVSA-N	746.770	8.253	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1cccc(F)c1	408795506	LJVFTIUWMLHMMW-SRZZPIQSSA-N	570.402	6.571	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(I)c2)cc1	408796120	ODJBXSQBSMXYPV-DEDYPNTBSA-N	538.341	5.202	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408797629	SEQPRYJTAKMZNN-WGOQTCKBSA-N	627.491	7.250	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(C)cc1	408812226	NXFCLLQWQWWCCI-MBTHVWNTSA-N	554.384	6.087	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1c(C)ccc2ccccc12	408819654	YJMSOXBTNJUALH-CIAFOILYSA-N	657.335	8.583	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408823656	FSJNZANRJQATNZ-YDZHTSKRSA-N	733.817	9.354	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	408827622	LOJHDXKZNNVQCP-YDZHTSKRSA-N	733.817	9.354	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccccc1	408829097	XBANALFCVKMWDW-WPWMEQJKSA-N	597.509	7.860	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408830735	GIFLIICKSODTPG-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCC	408831845	HMBYUURIJIMMSX-DEDYPNTBSA-N	555.856	7.025	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)c(OC)cc1Cl	408833504	RQLWXXNQAQCEPF-HYARGMPZSA-N	512.993	6.944	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408836027	PHXOAQZUKMXRCZ-VCHYOVAHSA-N	623.274	7.130	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408837655	KTBSXLQTAXVGKH-BIZUNTBRSA-N	602.669	5.145	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4ccccc4)cc3)cs2)cc1	408838818	IVPGKXGAMHULLP-DPNNOFEESA-N	597.538	7.968	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc6ccccc56)cc4)cc3)cs2)cc1	408840425	YQQSOKSFDQEIFR-QLQYKETESA-N	568.702	8.358	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408846839	RMPRZPNNXDOLBP-CCVNUDIWSA-N	555.885	6.399	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408851683	MKQGMRCNEAPRDR-MNBJERMJSA-N	640.319	7.149	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1	408862018	HIGRLQSDQLFJBI-FMFFXOCNSA-N	576.118	6.135	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	408863336	NDTGAADCJDNIOG-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2cc(C)ccc2C)cc1	408876663	POGWPYSSRWPWCV-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1Cc1ccccc1Br	408882412	MZAUAORAQCAVTA-RQZCQDPDSA-N	641.225	7.218	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OC	408885637	DFACDICTOTXLCF-WUXMJOGZSA-N	559.052	5.845	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	408886388	KKIZACFYTPKDGK-CPNJWEJPSA-N	542.345	6.275	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1C	408886899	MXEIAKOGXOPADM-VXLYETTFSA-N	570.827	6.843	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Br)c2)cc1	408895172	MJFIUCZLWJKLCP-XDHOZWIPSA-N	570.237	6.123	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCc1ccccc1Cl	408895535	LBGXEVWIXCOFEG-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408918888	QFPXBZIVQLCNNC-RRTTYDMDSA-N	530.419	5.611	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408923459	IPHAQDNCTVUOPT-XDHOZWIPSA-N	584.448	5.038	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)c(OC)c1	408952489	KMHNBBGYDAWLTD-JRAMAACCSA-N	720.006	6.353	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(Sc2ccccc2)o1)c1cc2cc(Br)ccc2o1	408956844	ZUOUKZIEERWMSW-KSEXSDGBSA-N	520.202	6.466	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccc(I)cc1	408957227	SWAJGAGOAAJDLZ-QKRNDYIXSA-N	782.632	5.726	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c(F)c1	408966661	MWQUMFXNCSHKHT-XAZZYMPDSA-N	675.239	6.403	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408973380	YTROPBUYQMAZHY-RULDXTCYSA-N	558.506	6.384	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	408982593	ICXCEHVGRONUAT-UUYOSTAYSA-N	521.831	8.233	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	408985757	YLUVCZPFRDJXNN-MTJSOVHGSA-N	521.831	8.233	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408998226	UDDOYVGHWGDDNA-LZWSGYTISA-N	686.011	7.942	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1OC	409013431	UZBLCZXBUDHEKJ-CCVNUDIWSA-N	516.381	5.182	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1	409024541	DFVDDAVYSQNYJS-KCSSXMTESA-N	583.541	6.309	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(OCc4cccc(Cl)c4)cc3)cc2)S(C)(=O)=O)cc1	409026130	HBLUZXDALLLUIO-BIZUNTBRSA-N	562.091	5.958	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)cc1	409026840	ZMUPDVBPGRLBDG-BAZLLORMSA-N	557.672	5.671	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc2c(c1)OCO2	409037381	NJIOAHSBLIPQKV-AEUUOICLSA-N	624.491	7.135	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	409044269	VDFSJNRTUDQHQG-MHWRWJLKSA-N	573.266	6.228	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	409047565	OIZWPRZZPYWMIA-LZYBPNLTSA-N	614.643	8.008	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409050333	URQLJVQLHLVSBL-VCHYOVAHSA-N	554.828	5.983	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	409059694	XCCWSOSSXZXNHL-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(Cl)cc1	409128381	DQZYGXBCWFCJCM-SANMLTNESA-N	570.517	6.354	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(I)c1OCc1cccc2ccccc12	409131098	LVVWEDOJKXYIKF-DEOSSOPVSA-N	578.410	5.672	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl	409133069	ZHJJRJZQKJYAPQ-GRJIBALVSA-N	503.451	6.520	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	409159024	USOYXDGAZIRGMR-VTNSRFBWSA-N	601.487	5.677	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409171192	ZHJDWKHZTQAYDS-KPGMTVGESA-N	692.938	5.547	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2F)ccc2ccccc12)c1ccc(OCc2ccc(Br)cc2)cc1	409176379	LYYKBYBTYMENEP-XZYGTATASA-N	583.457	7.663	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)cc2c1	409187589	SFOJGHBLRSOQCW-FDVSRXAVSA-N	582.407	6.244	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2Cl)c1	409220076	XYUVTEFAXJQSTP-UHFFFAOYSA-N	611.279	6.991	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1	409231555	JTWDGGWFVOSSPG-VEILYXNESA-N	525.048	7.127	50	40	KKGB	
Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)c1	409246076	DNFPSDGFUPFIFU-UYRXBGFRSA-N	502.496	6.153	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409258378	WRXLWNYJZVWJTJ-YBEGLDIGSA-N	530.795	6.219	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409262937	KSJUYPXRNOAOJP-GRSHGNNSSA-N	612.864	5.769	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1OCC	409310309	UHNHXMDMPCTUEA-MWLSYYOVSA-N	545.861	6.633	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OCC	409310698	CLKNMEUVSSQMKL-NTFVMDSBSA-N	556.413	5.888	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)ccc1OCc1ccccc1	409318481	VXYNSAVQFGWSNW-FZPRHHONSA-N	609.904	7.042	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409360353	DXEQADKTENDHGE-MBTHVWNTSA-N	540.414	5.645	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409361662	HSXMXKSPFNBJDL-QDTIIGTASA-N	688.687	5.592	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	409372205	FTCGKIVZVRIROX-AMVVHIIESA-N	605.259	7.103	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409390500	DLEINEWKXUCQOF-YVLHZVERSA-N	520.948	5.844	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c(O)c1	409391187	HRFVGULCSHTWMF-KBKYJPHKSA-N	707.100	5.715	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)c1	409394710	DZBWXZMJLXWVTJ-UHFFFAOYSA-N	604.863	7.681	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395571	PEKFIUCRPAVMLA-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)c1	409396514	YTRTZFGJRBOMBT-UHFFFAOYSA-N	728.768	7.847	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409396697	AFFGMKCLAPIOLN-UHFFFAOYSA-N	545.492	6.976	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397401	JLUDASXJYQJLLT-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409399298	ZDTGZZHGRQKSMY-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409399351	ZUMGFCVAIDNQNT-UHFFFAOYSA-N	678.141	8.049	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c([N+](=O)[O-])c3)o2)cc1	409402226	JFGYJIUIXNOINI-AEUUOICLSA-N	625.613	6.095	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1C#N	409402281	JPMXTPDCLVOYGL-UHFFFAOYSA-N	609.082	7.143	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409403367	ZXHVESWYABBGJR-NXFITDAQSA-N	559.619	5.369	50	40	KKGB	
Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c3ccc(Br)cc32)c1C	604418817	HSHDYBILTNVEMZ-UOSNNWGNSA-N	567.528	5.170	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	1529548214	ZCTPLTUXTUACLE-XINRNAFCSA-N	854.461	5.058	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OCC)c(OCc2ccccc2)cc1Br	1529548715	MOFZLHUHQGSCOK-MJJWSTQNSA-N	681.609	5.312	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2ccccc2Cl)c2ccccc12	1529548913	PVMBYSSEJRSYKQ-KLOQDLPISA-N	630.170	5.536	50	40	KKGB	
CC(C)c1cc(C(C)C)c([C@@H](N[S@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)c(C(C)C)c1	1857795162	QFFCRNRZGCZTNL-YLENAPDTSA-N	597.849	8.956	50	40	KKGB	
Cc1cc(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccccc1Br	650792	DLBDLBHVWLPIGV-LVXARBLLSA-N	513.439	6.239	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1Cl)N2	2063443	RBDLCAIHNKKYNF-UXXDJHJKSA-N	562.906	7.899	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccc(C)cc1	6166455	KGVWEHCSAUOINB-ZYSNUUHASA-N	544.677	5.190	50	40	KKGB	
Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccccc3OCc3cccc(Br)c3)c2)n1	8781361	VISXVFCFQZIKJW-MUFRIFMGSA-N	517.427	5.654	50	40	KKGB	
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	13076217	UMEXDTKZRXUHQT-KNBZMSCYSA-N	501.814	5.607	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc2ccccc2c1	13583786	CGSVXSCQZGOVIG-FSGOGVSDSA-N	512.038	6.373	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	15227555	LMRZWPLZEBRKOJ-VMBKIOOXSA-N	508.441	5.030	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	16158270	VYRNCJPZRNTVQL-FSJBWODESA-N	504.362	5.160	50	40	KKGB	
Cc1ccsc1/C=N/NC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2	22824109	FGFRLCDHVSJZDV-ONDSQNQWSA-N	501.456	5.452	50	40	KKGB	
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NNC(=S)N[C@@H](C)c4ccccc4)cc3N2)cc1C	22840961	MFMMVYFJDMMCDN-LRQRDZAKSA-N	516.593	5.030	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1	97965778	LVKUHWOFZQVVPS-PQKVGRGHSA-N	575.112	8.259	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1	97968702	HZFJNCCYWCLYKG-RAMZYJDASA-N	552.483	5.787	50	40	KKGB	
CCCCCCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	97981399	LEFMLFWPQYJPFK-GFMRDNFCSA-N	500.605	8.551	50	40	KKGB	
Cc1c2c(c(C)n1-c1ccccc1)[P@@](=Nc1ccc([N+](=O)[O-])cc1Br)(c1cc3ccccc3n1C)N(c1ccccc1)N=C2	97983515	JHHQXDZURUFJLB-USYZEHPZSA-N	663.516	8.509	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1	98001361	FPSFBEBODPQTJF-ORBVJSQLSA-N	768.876	7.247	50	40	KKGB	
COc1ccc(N(NC(=O)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(OC)cc2)C(=O)c2ccccc2)cc1	98003624	OGRZDHKVXCVKSZ-UHFFFAOYSA-N	570.689	7.033	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3ccc(Cl)cc3)s2)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1	98006244	GAPZCTJVQAJRHE-NRFANRHFSA-N	551.053	5.697	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccccc1F)c1ccccc12	98008193	QAECMLAIXIMCRC-UUWRZZSWSA-N	558.588	6.471	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	98043574	QWASHHXJHRUNBC-HSZRJFAPSA-N	548.879	6.444	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1Oc1cnn(-c2ccccc2)c(=O)c1Cl	98046125	ZPHFDTDIZWJUBX-MHZLTWQESA-N	579.016	5.399	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)c2C)cc1C	100125973	DNHGDLARUSXLOB-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(C)cc2)cc1	100380173	XGWKUYAQZQSYAT-VTNSRFBWSA-N	615.608	6.777	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(Cl)c3Cl)nc3sc4c(c3c2=O)CCCC4)cc1	100852477	YGUMLUQJWRRSFC-DBFSUHOCSA-N	557.528	6.184	50	40	KKGB	
O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)OP(c2ccccc2)(c2ccccc2)(c2ccccc2)[C@H]1c1ccccc1	104133499	VIRUMEGOLXUPNB-WQTSQWJASA-N	576.676	8.443	50	40	KKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1	104138332	UBNRJDVCMNRHTF-PMERELPUSA-N	535.669	7.215	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Cl)c3Cl)C3=C(O)CCCC3=N2)cc1C	104148684	VKBJTVKHXKEXMI-QHCPKHFHSA-N	512.462	7.252	50	40	KKGB	
CCOc1ccc(/N=N/c2ccc3oc(=O)c(/C(C)=N\NC(=O)CC(=O)Nc4cccc(OC)c4)cc3c2)cc1	104292097	ZKILCDDOIQBBKU-CIWUVDDZSA-N	541.564	5.485	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccnc5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	104562338	JLBRYZYRAOBCST-HBKHLPLRSA-N	547.014	5.010	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](OC(C)=O)[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)C[C@@H](Br)C(=O)c2ccccc2)C1	118925375	GYYWEVBPOIFQGP-AYOUYOJTSA-N	615.649	7.791	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@H](Br)C(=O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(C)C	118930518	JORIUVUQFBFOKU-GRDTWMHISA-N	523.596	7.592	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@]2(C)[C@@H](C(C)=O)[C@@H](Sc4ccc(N(CCCl)CCCl)cc4)C[C@@H]32)C1	118934477	CRLGZAAQVVSCHY-BORMXULHSA-N	622.699	7.400	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341954	RILPONCKOZVFOZ-QFIPXVFZSA-N	854.552	14.621	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(I)cc1	164707625	DCQVIRASXINHJO-BWAHOGKJSA-N	668.373	6.617	50	40	KKGB	
Cc1cc(C(=O)N/N=C/c2c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(/C=N/NC(=O)c6cc(C)[nH]n6)c5c4O)c(O)c23)n[nH]1	222344152	XSEAKBXTEOXWKA-YVDHPGQQSA-N	762.824	6.348	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)C(I)I)CC[C@]4(C)[C@@H]3CC[C@]12C	257348909	JZAGLOUEHFUBBB-HYZZZALXSA-N	680.493	9.136	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)ccc1OCc1ccccc1	408538927	RNQOXCWEGBDJGF-ONUIUJJFSA-N	549.583	6.697	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc2ccccc2c1	408570951	ZSXCRXHYEGJBPP-DPNNOFEESA-N	684.621	7.430	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1[N+](=O)[O-]	408599489	VOHHAZBZUANTAR-OPEKNORGSA-N	567.621	6.116	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1OCc1ccc(Cl)c(Cl)c1	408612417	YIQGVNLUTWDRDJ-MRXNPFEDSA-N	518.372	5.216	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O	408638026	BMTBAAGHEYMZFR-OAQYLSRUSA-N	550.225	6.181	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408641062	JKKUWXCYFAMONY-HXUWFJFHSA-N	595.222	6.089	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408641160	KVRDDUHSSHQUPN-GZMWYERSSA-N	685.196	5.543	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)ccc1N1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	408651615	NOZXBQLDBTWOAH-NTKDMRAZSA-N	542.390	5.487	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1	408667248	SEAGRXBYPSMQKH-UHFFFAOYSA-N	574.516	5.927	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408685686	PYACCIDSDGYTFI-WCVJEAGWSA-N	634.108	5.381	50	40	KKGB	
COc1cccc(NC(=O)c2ccc([Si](C)(C)O[Si](C)(C)c3ccc(C(=O)Nc4cccc(OC)c4)cc3)cc2)c1	408720573	VKHBJNZHLVVXNS-UHFFFAOYSA-N	584.821	5.749	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)cc2)c1	408721036	INTUJAOZMJPICK-ZCTHSVRISA-N	548.064	5.816	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c1	408743649	WNKWQMNJDRXCAR-ODLFYWEKSA-N	541.829	6.634	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408747727	SCHHTHLJUCWTBH-PXNMLYILSA-N	566.666	7.543	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408764965	OFXDGHHGRZWXNX-YVLHZVERSA-N	546.646	6.990	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1	408773477	QVRUGUKCHZMTMF-MSXFZWOLSA-N	505.210	5.148	50	40	KKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	408787050	PZQXQVGSSXIJEZ-HMAPJEAMSA-N	501.413	7.888	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	408787641	DACWPELMOXCSIC-NTUHNPAUSA-N	507.138	5.230	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408787981	BUGGCWTWPSFKEC-ODLFYWEKSA-N	589.317	7.345	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789590	KKEQZTVAWJELKL-BUVRLJJBSA-N	631.426	6.903	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408789735	KPGHADHSIBNRST-WSDLNYQXSA-N	504.970	6.178	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408789883	SGCDQSFNIXLZBG-YBFXNURJSA-N	570.237	6.123	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccc(Br)cc1	408791359	WOHRMDAUASGOJE-JAIQZWGSSA-N	570.281	6.962	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1cccc2ccccc12	408793599	FVMOLKJVKZQVGT-FYJGNVAPSA-N	594.836	7.231	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)c(C)c1	408795171	USPZCOLDZXOGKH-AFUMVMLFSA-N	511.419	7.344	50	40	KKGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408825423	IIIFOXJIXAGNJH-WWXMDWTASA-N	709.837	7.113	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408826226	BTSKJQQZBIUAJS-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408827444	JTAYIIBNHZAFTM-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Br)cn34)o2)cc1	408829625	OGDJBBVPDNKNRL-CNCDYAKUSA-N	654.974	6.115	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408830985	UPYIAPAVQLAZSA-LALXJTNGSA-N	695.485	8.562	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc(F)cc1	408836548	SJTKEQKMIRNBPV-BUVRLJJBSA-N	635.917	8.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(C)cc1	408839051	MDSDXFSFLFCZNN-FABQOPTDSA-N	583.113	7.867	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408855628	HKGFVPUGPMGWML-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1OC	408858688	KSCGABIPDHYWFU-LQKURTRISA-N	592.899	5.022	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2ccccc12	408858864	UDOMXYUGVZITPH-BKUYFWCQSA-N	534.841	6.429	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	408869538	RZWOUSSHUYCYDF-KCSSXMTESA-N	617.555	5.167	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(C)cc1	408891580	STTLLFRUMCOPLV-LGJNPRDNSA-N	546.215	5.512	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)c1OCc1ccccc1	408892624	BMQHIXMTMJVKEZ-CPNJWEJPSA-N	556.254	6.653	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)ccc1Br	408904509	KQTYADQBQVIJDO-CPDSRJINSA-N	601.726	8.061	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2I)c1	408922154	DNUKFRKFTJTIDN-DJKKODMXSA-N	679.252	6.546	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OCc1ccccc1C	408922864	HANNMQFFMRSJNP-KEBDBYFISA-N	583.382	5.950	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Br)cc1F	408956083	VWXHMVFALMKULC-NDENLUEZSA-N	505.391	5.743	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c(OC)c1	408958384	YJPBTVSNNYPQFO-VVYBVRPNSA-N	675.953	5.955	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c(F)c1	408965165	GQTUUWVPKAWCQQ-IPBVOBEMSA-N	521.173	6.110	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCCOCCOc1ccccc1	408970094	ALZHRLZDEGANBI-OQKWZONESA-N	537.012	5.767	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	408992298	RLFJNDDIYYCMKV-OPEKNORGSA-N	533.418	6.192	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(=O)Nc1cccc(Br)c1	408997710	OCPIKNKWUYWUBX-LCYFTJDESA-N	504.203	6.501	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	409013458	KLQRINQNTUKCLM-LZFXKBGBSA-N	550.486	6.748	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(C)C)cc1	409048859	UGZAHEPUZYSWPP-CXUHLZMHSA-N	522.237	6.191	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409076828	CLOUZOSQNYKNHW-WOJGMQOQSA-N	511.456	6.577	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)c1C#N	409078204	HJILPEUHPYZDTI-TWEUXXNYSA-N	701.199	6.357	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)OCO3	409094181	CRRSGWZXCGHJJS-QFIPXVFZSA-N	625.100	7.044	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(OC)c(OCc3ccccc3C#N)cc2Br)C2=C1CC(C)(C)CC2=O	409124693	LIGSZGWDEMXOGM-MHZLTWQESA-N	591.506	5.291	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccc(Cl)cc1	409126297	HHWRYIQGBLAIAD-ATZGPIRCSA-N	633.985	6.799	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409137349	VYJHBGFASITBRS-VWLOTQADSA-N	635.386	6.726	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccccc1F	409140266	QSSUWEVSRQPCTE-QHCPKHFHSA-N	558.347	5.332	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1	409163076	LPFRZJAMHMBIEH-VWJSQJICSA-N	597.326	7.537	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1	409168614	MYJUMMSBOXVCDX-HIWRWHBISA-N	620.331	5.663	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409183535	CSOLJRWXYKLTIZ-LALXJTNGSA-N	695.485	8.562	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409188811	GKPNAMDIUGAVIE-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409218195	DJAKEKRAYHPTNW-ACXHZZMFSA-N	621.831	6.246	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409227644	ZUXCFKFXVDXJKU-YCNCYPDZSA-N	632.551	6.257	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1F	409228998	IHSBUKXXATUWBK-CTPANLQCSA-N	509.375	5.960	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409239693	IMKQJNIMQCAWSC-HMAPJEAMSA-N	505.958	5.492	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1	409254699	JFAPOXLVPIMHFR-UNOMPAQXSA-N	538.829	6.283	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409312717	HEYKUWPOCSRGTR-NHCUHLMSSA-N	602.418	5.521	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1OC	409323248	ZZJWOBOTOBSYOD-ZMFRSBBQSA-N	503.780	5.463	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409335790	YHOTWMPVCRNKMV-YNFMAFFXSA-N	612.355	6.348	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	409365589	UIGQFSGHVXZTJQ-DICXZTSXSA-N	624.260	5.730	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccc(Br)cc1	409368398	UGJKUDFLFYCQLK-JMIUGGIZSA-N	524.212	6.735	50	40	KKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)cc1OC	409378349	OKMLRDGXYVZMIK-XVQOCTBXSA-N	548.659	5.580	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1	409382951	PIYSEPLBGAMFNN-UCQKPKSFSA-N	500.396	6.277	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409387379	WGVBCXCGSVEBCZ-MUFRIFMGSA-N	571.640	7.040	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409396415	YEOHPPOKCNYPKG-UHFFFAOYSA-N	749.765	9.024	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397159	GYSQKFZBYASSKT-UHFFFAOYSA-N	531.612	6.834	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409401675	IAIPLTLYHNAKDA-MFNYRUALSA-N	529.593	5.360	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1[N+](=O)[O-]	409402914	LFTNKGZUTSFNLR-CZEFVEKGSA-N	639.459	5.641	50	40	KKGB	
C[C@H]1CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c3cc(OC(=O)c4ccccc4)cc1c32	1460191	UKJAZFAFJOEYEB-GTOJURISSA-N	559.578	5.017	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C2/C(=O)Nc3c(Br)cc(Br)cc32)cc1	1877710	GCCYBERXQOLPDP-UHFFFAOYSA-N	565.306	5.777	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Sc1nnc(CNc2ccc(C)cc2)n1-c1ccccc1	2738872	AQWQLKSJLCDMLB-XSZJBBQGSA-N	579.524	5.590	50	40	KKGB	
C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12	2766081	AYDNSUMACJQNKJ-PCHPKZPRSA-N	537.841	6.752	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	3142985	HASFYUHTUYIBMD-NDZAJKAJSA-N	578.488	5.374	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3cc(OC)c(OC)c(OC)c3)C3=C2CCCC3=O)sc2c1CCCCC2	3666730	QZBGJINMPGAWHO-VWLOTQADSA-N	577.703	5.524	50	40	KKGB	
C[C@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Br)/C(=C/c2ccccc2Br)C1	8783234	WSRKTDJYRJVWBN-XHTPRNKISA-N	512.245	6.787	50	40	KKGB	
Cc1cccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)c1	12251093	GDDDWKPUKJXUPH-VWLOTQADSA-N	502.039	6.447	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccccc1C(F)(F)F	13940952	LEPIZNJXYITLTB-OPVMPGTRSA-N	502.996	5.745	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	19940196	YKVGDVVNTHRCPN-MHZLTWQESA-N	512.635	5.911	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(C)(=O)=O	20212533	LNHHZQAQZYTBHP-OPEKNORGSA-N	514.818	5.132	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C2CCCCCCC2)cc1	20233095	QWAXPPIEBXGNNH-UHFFFAOYSA-N	519.667	5.921	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl	20347824	ZCJOORRDLJOJBH-QHCPKHFHSA-N	514.434	5.790	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)c2C)cc1	58915008	OMPSNNRPQGVQKE-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccccc1O	97966032	WXWULLZEXFZLAA-NSKAYECMSA-N	667.068	6.251	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(Br)c1OCC(=O)N(C)C	97980651	IRZIBXFEFSBIDL-OQLLNIDSSA-N	554.413	5.175	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	98000066	NGZFALJIHZCVGR-HSZRJFAPSA-N	566.001	5.616	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OCc1ccc(F)cc1	100313341	KQMSPVQVRZEXFN-LICLKQGHSA-N	526.318	5.630	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1cccc2ccccc12	100335491	RLPHIGGAJKVDTG-ZVHZXABRSA-N	588.445	7.195	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Br)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852096	MXIGHCXZTXCKEL-DXJNIWACSA-N	592.563	6.635	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(SC(F)F)cc1)[C@@H]2Br	100867877	MVGNVPKHTRSMIC-NVGVWMPQSA-N	562.112	6.626	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1cccs1	102404109	WYINAZUQQSQZGS-VWLOTQADSA-N	595.544	6.226	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	102527567	JAYWBCJGFPFNBH-HVWHKQNBSA-N	532.553	5.855	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2nccs2)N1	102809012	CLVAYVZJCZUJKE-QFIPXVFZSA-N	522.055	5.503	50	40	KKGB	
CCCCOc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CC(C)(C)CC3=N2)c1	103154206	VDZMFHVYRCDFBP-VWLOTQADSA-N	521.708	7.204	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1	103789529	VNNXHJGILTXFDM-QCKNELIISA-N	534.663	7.067	50	40	KKGB	
O=C(CCCc1ccc(N(CCCl)CCCl)cc1)NCc1ccc(N(CCCl)CCCl)cc1	104127167	FQINHKOJYSXIFD-UHFFFAOYSA-N	533.371	5.894	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCC(=O)N/N=C/c1ccc(Cl)cc1Cl	150479158	OCAZZWFMIYEVSD-SKLCVJKWSA-N	666.393	7.501	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(I)cc1	164708185	RAEVQFBUAQLHTL-OOAXWGSJSA-N	633.530	6.253	50	40	KKGB	
FC(F)(F)C[C@H](I)CCCCCCCC[C@@H](I)CC(F)(F)F	169795364	UIXIIUBOQPSXAD-VXGBXAGGSA-N	558.126	7.619	50	40	KKGB	
CC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	207124598	RSAIHHAVGAAKFX-HSZRJFAPSA-N	511.446	6.612	50	40	KKGB	
Nc1cc2c(cc1O)[C@@H]1[C@H]([C@@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@H](Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)[C@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl	263602164	LYSZWEBJHYXSPZ-PTYAGJHWSA-N	708.766	8.130	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408537930	IEJVDLSIZDBCJN-UUKRNIFRSA-N	698.845	9.191	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2OC)ccc1OCc1ccccc1	408539452	WIFRFTOZHFESRC-YSMPRRRNSA-N	613.508	7.478	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408541975	ILTGIRDRELMCTE-LSCVHKIXSA-N	507.886	5.080	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552026	RKQFVSGAAQCYSR-WSDLNYQXSA-N	647.392	8.301	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)c(C)c1	408553242	NBCFKYKMGJTUQQ-VCHYOVAHSA-N	528.823	6.827	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408607161	NBVYTVBNMWZNFG-HXUWFJFHSA-N	542.463	6.084	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(I)cc1	408711778	JZTNNMNVPKDMKH-ZMOGYAJESA-N	582.179	5.239	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(Oc3ccc(OC)cc3)cc2)cc1OC	408723865	WZQYYQZJLRUNTB-JVWAILMASA-N	558.372	5.429	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc2c(c1)OCO2	408725041	IKVNKJGNAALRLS-VFLNYLIXSA-N	676.248	6.121	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)ccc1I	408747102	JICQCDVITXHOHT-AMVVHIIESA-N	788.161	7.005	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1	408752383	DZIBZLFVSOQRRX-STZFKDTASA-N	507.815	6.956	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccccc1F	408759939	ONITVBYZNHZMQA-HMAPJEAMSA-N	535.413	6.840	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(I)cc1	408761639	KHVGQVCMYGHIDF-ZDLGFXPLSA-N	729.150	7.182	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408763592	TWPNGQMSWHNQGQ-MFOYZWKCSA-N	542.773	6.144	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(Cl)cc1	408790303	OSPCUERLWOUPIU-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1cccc(C)c1	408794257	RSJMQILSXLHNRL-UDWIEESQSA-N	570.281	7.043	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc2ccccc2c1	408798162	VAQKJBLXICETHD-MFKUBSTISA-N	588.445	7.276	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)sc2c1CCCC2	408813494	NIYQWCJFTBVDDQ-DEDYPNTBSA-N	522.070	6.719	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1	408813574	OJDPUMHSJFSBDF-CIAFOILYSA-N	568.411	6.050	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OCc2ccc(F)cc2)c1	408823691	FWCPFDBKJOXDIZ-LFVJCYFKSA-N	542.994	7.191	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408833642	RZYDFPZMFHAGJY-FSJBWODESA-N	744.369	8.609	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OCc3cccc4ccccc34)cc2)cc1	408836985	XKZMIOXXZPDVDU-VUTHCHCSSA-N	603.516	8.614	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(Sc5ccc(Cl)cc5)o4)cc3)cs2)cc1	408838974	LDMHWVUPLIZQRD-OKCVXOCRSA-N	545.089	8.024	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccccc1	408844818	PMVHFZBMMJJNLO-HIWRWHBISA-N	666.463	6.791	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408845633	YMNRSGGELAVUSP-IZYHBKOJSA-N	735.484	7.396	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc(F)c1	408845851	HRZJVBLTKMUECB-NVJOKUIPSA-N	531.765	6.339	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)cc1	408860799	FJGHBMBEOOYGSM-GOJREDGKSA-N	591.733	6.888	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408863142	PMIATGKHNNSPLW-FABQOPTDSA-N	646.980	6.970	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1Cc1cccc(F)c1	408867907	MLOXBBMWVMBYDL-CAOOACKPSA-N	557.319	5.484	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3Cl)c(OC)c2)cc1	408878714	ALRANWZIFHVNRR-XDHOZWIPSA-N	572.830	6.488	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408879830	HBLYIWYWPMYPSY-FMFFXOCNSA-N	595.508	5.981	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OC(=O)c1ccc(C)cc1	408884684	UUTQYIZOICYGLH-DEDYPNTBSA-N	552.368	5.763	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cc(C)cc(C)c3)ccc3ccccc23)cc1	408885694	FCIJSOWXNZLMPE-NLRVBDNBSA-N	504.586	6.758	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408891755	UUBGFZYOLDEALW-NHFJDJAPSA-N	589.489	8.306	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2ccccc2Br)c1	408892376	AUPCXSNTMHYPTA-LDADJPATSA-N	542.227	6.345	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408892540	CFXRWIMMTUUWOO-PXLXIMEGSA-N	526.976	6.665	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1Br	408896480	RJZLBTPWEKAISD-RQZCQDPDSA-N	623.672	6.840	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OCc1cccc(Cl)c1	408898149	VCMHBOAAGJPGDQ-YBFXNURJSA-N	507.930	5.780	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccccc1Br	408898531	WOFZLUYLHLQPHF-PCLIKHOPSA-N	709.378	8.156	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3cccc(I)c3)cc2Br)c1	408925021	RRAWURQUJWWJMQ-RPPGKUMJSA-N	628.102	6.468	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408940593	CPBNRKZMXJCARQ-MHZLTWQESA-N	832.342	6.825	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C	408940866	DBUHUFYEFQJQDX-MGBGTMOVSA-N	698.827	6.039	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)Nc1ccccc1	408949018	RVNGNBQJUUOKJU-NUJZUDFISA-N	570.827	6.029	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	408964577	VHLQXWGHANRMJJ-LGNWWHAVSA-N	609.466	6.115	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1	408971287	FOBVUGXRTUZEAG-PCLIKHOPSA-N	535.040	5.663	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C(\C#N)C(=O)Nc5ccc(C)c(Cl)c5)cc4[N+](=O)[O-])sc3c2)cc1	408990764	LUVDPRSGTKHDRE-LPYMAVHISA-N	640.146	8.424	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1	409000731	FPCOLBYMMSZRDT-JBIOKXMTSA-N	503.002	5.671	50	40	KKGB	
CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	409020118	ZLQJEISTIGNRRL-KMWLTISVSA-N	536.843	5.967	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1cc(Br)c(O)c(Br)c1	409022937	IKIAUABAUFGMTR-LSFURLLWSA-N	546.693	6.547	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1	409023362	RVQYTNAYUUKEHN-PDSZHRMOSA-N	530.650	5.191	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1c2ccccc2cc2ccccc12)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025729	ZSLDVRCJEFPHCA-ZFNHKAKMSA-N	537.641	6.090	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)c1	409065576	HRODDWALRWBTNC-MHWRWJLKSA-N	610.711	6.487	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409127339	PMRCJCKDIFPFKK-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
Cc1ccc(COc2c(Br)cc([C@H]3C(C#N)=C(N)N(C)C4=C3C(=O)CCC4)cc2Br)cc1	409136579	RUZISLKAFIVRJG-QFIPXVFZSA-N	557.286	5.829	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Br)cc1	409138398	BEPOICKBYWWRDE-JOCHJYFZSA-N	621.269	5.846	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc5ccccc5c4)c(Br)c3)cc2c1	409187044	LHOXRJVMSAKKNR-ZMGVVAQMSA-N	577.862	7.744	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)n1	409221287	NZQICHUJUFEFMI-NSKAYECMSA-N	582.293	5.579	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(C)cc1	409222440	XBZJZWQQDJKTMT-XYGWBWBKSA-N	580.466	6.233	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409225273	NYBYVJFQPQVEFA-UHFFFAOYSA-N	676.520	6.109	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)c1C	409264167	NIXKHSICIPTMOZ-VCHYOVAHSA-N	512.368	6.313	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccccc2)c(C)c1	409266291	QHAVXLZJNGSWND-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl	409268162	QUQUHMQDWJDTHL-ZRGSRPPYSA-N	545.777	5.101	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409304468	RCXFQFVBVPTBQE-CAQPMQTCSA-N	599.492	6.503	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409311049	XZALUPNWOIIBGP-KYHGBAKBSA-N	588.488	6.361	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)ccc1OC	409314241	FJXQNBXFTIZYCK-YNFMAFFXSA-N	612.355	6.348	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1OCC	409315486	VPUBJQQBIOXPLE-LJUMEUDFSA-N	634.898	6.650	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)ccc1OC	409326007	FNTOQSKVKTWKMF-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OCC	409330505	BAESVOVXPSQILX-MNBJERMJSA-N	554.043	5.708	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)cc1OCC	409330632	BZGQYAUSPDIUAY-BVMLUPFRSA-N	665.766	6.610	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409365000	RZPMBYHIASKWLV-GZTJUZNOSA-N	556.363	5.689	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1	409373764	UNGNBOCTUPPPBU-KCSSXMTESA-N	586.429	6.949	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2)cc1C	409380658	PDQLJEVREUMEQS-MUXKCCDJSA-N	520.383	5.594	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)[nH]c12	409394722	FCDHIWINNXZFSL-UHFFFAOYSA-N	632.301	7.759	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccccc1	409394951	HYZGFBSHSHAJSD-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(C)=O	409395143	KIDWCMCVRDVZSG-UHFFFAOYSA-N	733.413	7.894	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397119	GMHBXFFFYVDJIL-UHFFFAOYSA-N	625.081	6.665	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409399158	IDRZZONZYAQXAW-ADJDCTSUSA-N	652.962	8.578	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1[N+](=O)[O-]	409400214	CBQNYYNMHGALMF-KWMKVIAQSA-N	574.590	5.269	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc([N+](=O)[O-])cc1	409403419	MRUYKRVDBUDWBJ-OJYCWLPVSA-N	608.651	6.916	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(I)c1OCc1cccc(Cl)c1	661021	PHMDPAXGYVXTNX-FQEVSTJZSA-N	562.795	5.172	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1	2449887	UQBFLWVJLDRYEC-OBGWFSINSA-N	500.942	5.393	50	40	KKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2	2669784	PKEXIIFOLGKCHB-GXDHUFHOSA-N	501.391	6.526	50	40	KKGB	
CC(NC(=O)Oc1ccccc1CP(=O)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F	3671543	RVJLBDMHJBYORM-UHFFFAOYSA-N	515.390	6.172	50	40	KKGB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Oc3ccc(Cl)cc3)cc1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	4179242	RXSIOMWUHMRCNJ-BAMLVTLESA-N	525.624	5.415	50	40	KKGB	
O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1	8396570	JUYLFDUFVYXNQM-MAVNZHAASA-N	555.428	6.117	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	14361372	GLZJEJORZCPFIE-RDWVIGLTSA-N	529.559	5.723	50	40	KKGB	
CCCCCOc1ccccc1/C=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1	14923637	AWKUAXPPBZICHO-TURZUDJPSA-N	514.047	5.255	50	40	KKGB	
C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1cccc(NC(=O)c2ccc(Br)o2)c1	20157853	GBZJHWBNQVHZIR-UXHLAJHPSA-N	516.395	5.967	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C(C#N)[C@@H]2c2ccco2)cc1	98048903	WFEHZZVBGAMAKA-MUUNZHRXSA-N	540.689	6.474	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(Br)cc1	100062793	SRNMPHMEXJOCDH-WGARJPEWSA-N	532.232	5.492	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	100343866	GITPBGXKIGBVMU-CAQPMQTCSA-N	611.120	5.119	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3c(F)cccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100853201	FQFBKFGMMAJHRS-ACXHZZMFSA-N	536.076	6.575	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1	100989441	SZCOGIGWMJQYCB-IVYNLYIOSA-N	573.299	6.821	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cc(OC)ccc2OC)=C(C#N)[C@@H]1c1ccccc1Cl	101305182	FVPOFWURVGFVIW-MHZLTWQESA-N	590.101	6.125	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccccc1	102933059	GEBJGOBIZYCGEK-RQZCQDPDSA-N	589.773	5.986	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)c1	103882977	ZVVHGAHLJSURKE-HAHDFKILSA-N	550.884	6.246	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C(=O)O)cc1	103890839	JFZJWBJJAWDDSW-NDENLUEZSA-N	586.269	7.307	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\C[C@@H](C)/N=C/c1ccc(N(CCCl)CCCl)cc1C	104077268	KWDFAEPQSXAGLR-QVXWYRECSA-N	558.425	6.798	50	40	KKGB	
N#C/C(=C1\N[C@](c2ccccc2)(C(F)(F)F)[C@H](C(=O)c2ccc(Br)s2)S1)c1ccccn1	104692966	ASDUWEGXRQTMRO-BDPZRBAFSA-N	536.398	6.143	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OCC	105445859	FYJWGOMAYKDYBA-TWKHWXDSSA-N	537.682	5.343	50	40	KKGB	
Cc1ccccc1C1=C/C(=C(\SS/C(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2\C=C(c3ccccc3C)SS2)C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)SS1	150435252	USTZDWIBEMKHEZ-NXRKLTDKSA-N	968.854	13.586	50	40	KKGB	
COCOc1ccccc1[P+](Cc1ccc(C[P+](c2ccccc2OCOC)(c2ccccc2OCOC)c2ccccc2OCOC)cc1)(c1ccccc1OCOC)c1ccccc1OCOC	219795644	OXOTXFWZOHYXIL-UHFFFAOYSA-N	989.048	8.571	50	40	KKGB	
CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	408539750	YNXFBUDVUDMRHQ-HWIUFGAZSA-N	605.602	8.819	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccccc2Cl)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542816	LHCWXOWGQRIHIS-MNBJERMJSA-N	536.028	5.083	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1	408545143	ZHHOKUSUIXFQIC-LSCVHKIXSA-N	511.317	5.514	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1	408568498	JVYHEVBIULZEDJ-PNQUVVCRSA-N	602.392	7.887	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1OC	408581651	YKCSJKBIGHMGBA-PXLXIMEGSA-N	500.392	7.263	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c(Br)cc1OCc1ccc(I)cc1	408607543	SZABXPMQQNDKCP-VXLYETTFSA-N	614.281	7.199	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccccc1C#N	408735865	YOZKLAUZMWGRSA-DJKKODMXSA-N	522.786	6.107	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c1O	408741597	KABRPATWVGMKTJ-FMFFXOCNSA-N	566.455	7.052	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408746859	WWDUHTUVWIAZHH-ZHZULCJRSA-N	557.950	6.902	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747823	UHBAIKHJZRRGGG-BJUCDSOZSA-N	663.193	7.484	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCc1cccc2ccccc12	408750072	XCRBTXFYWUYUTM-OKCVXOCRSA-N	629.292	6.949	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(I)c2)cc1	408788926	GMSPMBOAHJDODK-KGENOOAVSA-N	508.359	5.978	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408790234	OCRVNTLSTJAMGZ-NLRVBDNBSA-N	504.542	6.088	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3cccc4ccccc34)cc2Br)cc1	408790477	WMIDJUPLCNPINS-PCLIKHOPSA-N	599.481	7.302	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408791907	FDUPOAQGXLBWQG-MFKUBSTISA-N	541.445	7.298	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(C(=O)O)cc1	408792197	JKCMNOOHKGICEO-CIAFOILYSA-N	582.394	5.821	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br	408793796	GROIEZBGEQWQBE-NTUHNPAUSA-N	542.611	5.353	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408813099	FCCNRCRZLGXDKG-LSCVHKIXSA-N	625.144	7.329	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl	408831392	QQNIYOZZQDFTGJ-JJKQSNDFSA-N	645.779	7.702	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	408837719	MCBQUDIWOBPYIE-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408838997	LKMODCPCUOHBNY-IRWBXMRWSA-N	768.454	9.329	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408843338	FQUZTJPUSZWRRV-GXBUFBABSA-N	656.480	7.308	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1	408845709	YZKWSMNDHTWRJC-GUBAARJWSA-N	700.839	5.329	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408848983	XOQDTKCWAVFFAZ-IZYHBKOJSA-N	676.036	9.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(Br)cc1OCc1ccccc1	408854453	GBMBLKUBPJWKBL-VULFUBBASA-N	532.232	5.953	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)c1	408858840	TXQOFUOIKBHIDN-UHFFFAOYSA-N	501.970	5.789	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2cccc(C(F)(F)F)c2)cc1	408862325	GTZGGHOTVZPHEY-MWBNBJEGSA-N	616.061	6.592	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(Br)cc2)cc1	408862577	GOHGGABAUDVLLB-KPGMTVGESA-N	648.410	6.817	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408864294	YIQSDHCMTOBQSN-IRWBXMRWSA-N	671.956	7.727	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC	408867615	JEAGLTWQEDHWEP-STBIYBPSSA-N	564.491	5.527	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c1	408867810	NYGRSXHCXCHQEP-ZRGSRPPYSA-N	691.101	6.010	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCc1ccccc1Cl	408875534	JUQFURHDWCZCIC-FIZMRQRYSA-N	552.840	5.809	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c(Br)c1	408880848	ITIZFPLAKMUGQM-GXDHUFHOSA-N	565.059	7.088	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408881534	LQDATESBXINYGH-OKCVXOCRSA-N	551.824	6.638	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408893086	FJIOZEVMGPZEQP-VXLYETTFSA-N	597.252	7.942	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2Br)cc1	408925579	SENMEBMCGCHDOM-MHWRWJLKSA-N	619.837	5.282	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C)c(OC)c2)cc1	408926975	ZDAJVXCANXLBRB-LPYMAVHISA-N	596.421	5.910	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408972564	VFQANYUPBKZULE-UQXSWQNPSA-N	528.436	5.037	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408984660	SJFPBROVXJNAJH-MFOYZWKCSA-N	561.219	7.097	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1Cl	408985687	XQORHCSOKIQEOE-UWVJOHFNSA-N	679.683	6.854	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)COc4ccc(Cl)cc4Cl)cc3[N+](=O)[O-])sc2c1	408990208	JXGDIBXQJYUAHJ-ROPCREHHSA-N	666.568	7.752	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2	409002520	OFMZRJWWIVFWCK-AHIOEPHHSA-N	565.626	5.405	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCC(=O)N1CCOCC1	409015692	PMQQPRSQUOLTNO-XPGZBYHPSA-N	614.702	5.821	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)c2)cc1C	409015966	SYKQXPODBRECRU-MZFJOGFUSA-N	507.590	5.517	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409023044	FXODFMNTRFCFNU-FKBXNUFCSA-N	588.642	5.271	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409065117	HMWLWOIVISQAFO-GIJQJNRQSA-N	558.182	6.461	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(Br)cc1	409074931	OMTWMOBMYWEKFA-FYJGNVAPSA-N	571.393	7.330	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409089883	KTYXLDVVQMBACE-XDHOZWIPSA-N	571.939	7.732	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Br)cc1	409112493	DJBXITLQCYNMNV-XMMPIXPASA-N	600.263	6.136	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409131593	JLIILGZHQWXDFR-DEOSSOPVSA-N	660.363	6.081	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1	409150859	FEQOETPJMBTGQI-KVSWJAHQSA-N	533.799	5.062	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)c(I)c3)cc2c1	409186495	CUNMMVTUOWTYQG-MUXKCCDJSA-N	574.802	6.432	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(C)cc2)c(OC)c1	409207305	RTCZHLKBJJDLDU-NDENLUEZSA-N	554.384	5.742	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(I)cc1	409213459	VPCQQOHPSCKEAL-ZDLGFXPLSA-N	638.199	6.456	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c2)cc1OCC	409222061	ABNAWMYKSJSHAG-UHFFFAOYSA-N	620.489	7.026	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC	409222378	CPQJDRUKSHYREW-WKIKZPBSSA-N	503.338	5.002	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)Cc3ccc(Cl)cc3)c3ccccc32)c([N+](=O)[O-])c1	409222493	DFMLKUXZIJHRDV-VPBLMEEESA-N	605.050	5.452	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	409225178	PKJOFQARWMOJML-KALUYTGESA-N	527.147	6.192	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccccc1	409255806	IYSJJRNESOBYRA-QNVXDBMFSA-N	739.877	8.514	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409256719	PCXFJRODLQRWMC-VCHYOVAHSA-N	647.751	7.135	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1Cl	409261674	AEDIKQHJLIFPET-WOJGMQOQSA-N	513.903	6.230	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c(C)c1	409261941	GEFMNXBWWXKGNI-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	409265962	VKDRRGYWQIFCKI-HQDYHJHZSA-N	592.479	6.753	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)ccc4OCC(=O)Nc4ccccc4Cl)cc3)cs2)cc1	409270900	RVJCNNNCPPOGLO-QMRORBIVSA-N	630.557	7.950	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccccc1Cl	409273085	VGWNKXZYLVXIBA-ZRGSRPPYSA-N	521.198	5.537	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1OCC	409309068	AUAYVZXDJANVPN-YKQZZPSBSA-N	555.469	6.378	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cc(Br)c(O)c(Br)c1	409335515	JHMHAONVTOIGIV-LSFURLLWSA-N	536.205	5.302	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1I	409352460	CNWRFPJPGNDFAF-AUWJEWJLSA-N	560.129	5.655	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1	409366104	YBZOMDZBGCZJFT-YBEGLDIGSA-N	528.765	5.805	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1OC	409366224	SYQDCLZUVCABST-VYYCAZPPSA-N	562.258	5.501	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br	409386326	MMPCUDUVEXGQFW-HQDYHJHZSA-N	656.562	7.106	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)cc1	409394627	CYHNPTNPRIWQMS-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409394674	DLIXGRVJQDUVBE-UHFFFAOYSA-N	710.626	9.848	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccccc1	409394693	DSARSCHJQUSTLA-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(C)=O	409395471	NYSFCMSQCLDJLJ-UHFFFAOYSA-N	719.386	7.585	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396229	HSDGXKIVROXNSG-UHFFFAOYSA-N	728.370	8.137	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396614	ZAYYNZYNJZCQKZ-UHFFFAOYSA-N	704.961	7.567	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409399123	XWWHABXSVHSVLB-UHFFFAOYSA-N	583.644	7.379	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	1529547646	NIKAKKDUEQLPIU-UUTVKSQHSA-N	716.452	5.676	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	1854280	HANLGMJTRUNVLE-ALQBTCKLSA-N	594.762	6.456	50	40	KKGB	
Cc1cc(Br)c(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)c(Br)c1	2176368	MJNRMGGXGALQEU-PTXOJBNSSA-N	573.861	5.167	50	40	KKGB	
N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl	2185995	GWWRJFPZIBVELU-NRFANRHFSA-N	509.462	6.389	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cc(Br)ccc1O	2206145	YFGOYXARGRMAIT-ODCIPOBUSA-N	529.894	5.194	50	40	KKGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1	3102616	IMXQZDNRJMGHMS-LGJNPRDNSA-N	546.215	5.268	50	40	KKGB	
Br[C@H](/C=N\Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@H](Br)c1ccccc1	5809008	JRXLDARVHCBKOA-PSKUFGJISA-N	537.259	6.503	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccc(SC)cc1	8448474	SZMBXAUQSACLOO-RUZDIDTESA-N	540.670	5.759	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1	9345254	WDBPURGIEYENEB-OBGWFSINSA-N	500.942	5.393	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc4ccccc34)nnc2-c2cccnc2)cc1	16807955	HCTJVFFICAXQPO-UXHLAJHPSA-N	508.607	5.124	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	20197985	BBWBLDBEGBXUHE-MUFRIFMGSA-N	501.410	6.524	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CCSc3ccc(Cl)cc3)c2C)cc1C	20243915	PJPXGEHLPVHKFY-MZJWZYIUSA-N	518.908	6.759	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1	20347923	IPULVPGDIZPHIE-HHHXNRCGSA-N	511.647	6.464	50	40	KKGB	
O=C(COc1ccc2ccccc2c1)N/N=C1\C(=O)N(CCOc2ccc3ccccc3c2)c2ccccc21	40138855	OLHPVUGIVGZLJO-NMSHJFGGSA-N	515.569	5.318	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	59856706	MOJLMKIDSVDXJJ-FDAWAROLSA-N	582.465	5.558	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCC(=O)N/N=C/c1c(O)ccc2ccccc12	97966437	ONDPLMHQXUISSY-QNKHSMSSSA-N	663.562	7.053	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H]1c1ccccc1Cl	97984135	ZCGQACOOETUFFS-GDLZYMKVSA-N	670.057	9.075	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	98000058	RQJSIUAVGULKOU-HKBQPEDESA-N	580.109	7.304	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccc(C)s1	100110871	QQMPZUYEUGQHCX-SANMLTNESA-N	530.675	5.772	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	100127900	OOGNKTKPZOHZTO-UXHLAJHPSA-N	551.068	5.456	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1	100227823	HQKZAKQRLLNGDN-NDENLUEZSA-N	572.830	6.776	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccc(C)cc2)cc1	100242884	IKTGPDXHZQNSRA-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	101751248	HHSNLDLHYJOKEW-YKQZZPSBSA-N	560.404	5.323	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C/c1ccc(F)cc1	102402169	SICFJJGSDYFXNZ-LSJKGLAVSA-N	629.520	6.723	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102652178	ABQXQPGGTUMFDW-VWLOTQADSA-N	529.578	5.203	50	40	KKGB	
O=C(N/N=C/c1ccc(-n2ccnc2)cc1)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	102731954	AXPPFTPQTQOOAD-QNKGDIEWSA-N	549.656	5.027	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(C(=O)OCC)cc3)=C(C)N2)cc1	102808683	LICUQJNYMMFNIE-MUUNZHRXSA-N	614.680	5.340	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	102808741	YOSLJCBLVPTTEZ-AREMUKBSSA-N	545.661	5.309	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	103528697	TVVFWKJSCOFXHK-NRFANRHFSA-N	540.483	10.419	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1Cl	103883972	NSKSVJXKJRNFFM-KQWNVCNZSA-N	536.459	6.227	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342248	IAYPXDJRHSYPJU-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342291	OJVPUPIRVSKDQW-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
O=C(CCC(=O)Nc1ccc(OCCC2CCCCC2)cc1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	199429867	CPHLZDPAAJSGEN-UHFFFAOYSA-N	579.701	6.068	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(Br)cc1	408526254	BFQSOXQNEVNTLT-MFOYZWKCSA-N	687.069	7.210	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408538370	LSRJGTFYKGQFAL-QLQYKETESA-N	639.649	9.762	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccc(F)cc1	408544787	XUQSUTCSJYPKIB-JAIQZWGSSA-N	520.402	7.123	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408553253	NCHUXJZPTLSLGK-VCHYOVAHSA-N	640.459	6.145	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408569761	PVAIHBQRYZVJHT-PXNMLYILSA-N	561.238	7.813	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1ccc(Cl)cc1Cl	408580726	RJSZXDRAOOHCEC-VIZOYTHASA-N	556.056	8.301	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1	408581469	IHLPBWKWMWBAKQ-XDHOZWIPSA-N	540.357	5.390	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(Br)cc1OCc1ccc(I)cc1	408608943	XVIHQRIWOUACBD-LICLKQGHSA-N	586.227	6.582	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	408677481	QYRMOCMZCUZPPW-UXHLAJHPSA-N	521.017	5.120	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c1	408710536	BXINJKFNNPJMRT-KVSWJAHQSA-N	523.800	6.016	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(I)cc1	408711749	ITBIFTHVXHCXLY-KBKYJPHKSA-N	604.069	6.703	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1Oc1c(F)c(F)c(F)c(F)c1F	408735219	MIEDJRKQMDXCQB-JAVXJAORSA-N	567.470	5.801	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408745129	PPGUOJXAXBJODS-WQRHYEAKSA-N	729.150	7.182	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I	408788200	JAIRWXCHMXHUAX-CXUHLZMHSA-N	535.179	5.228	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1cccc2ccccc12	408789310	IVHBTVKEGRZVLC-BUVRLJJBSA-N	541.445	7.434	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408792960	MSQGFZCLBKITLZ-UDWIEESQSA-N	569.839	6.412	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1	408794967	KRKOPESHOGAJIR-HYARGMPZSA-N	562.261	7.489	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(C)cc1	408797647	SGNXOSSSXJYDDJ-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1	408811240	AFWIVQUCBLBRKQ-OHUYPAJKSA-N	586.783	6.846	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408814112	QDPJCPOWKLKMRS-GNKJFLBKSA-N	632.588	7.394	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408817375	NEWFZAYWALEWME-JAIQZWGSSA-N	569.355	5.010	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccc(Br)cc1	408838980	LFJYAVMOEYJLKD-KVAAJVFYSA-N	655.332	7.390	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCC#N	408840238	CRVAINYSYVWUHD-XKJRVUDJSA-N	582.402	5.662	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5)c(Cl)c4)cc3)cs2)cc1	408840690	ZUGPCUONXGXXOD-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC	408845434	WPTBQAXJICPCQT-VFLNYLIXSA-N	536.963	5.662	50	40	KKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)c3ccccc32)cc1	408845819	RVRWRLBTIUDACK-XZYGTATASA-N	555.707	7.937	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4OC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3)sc2c1	408849385	YDOZLDJYWYZMHO-YLYVUXRMSA-N	693.033	9.620	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1F)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408849485	ZEHVSSMGPMVCBJ-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408849611	ZNVQCELANJSGAK-PTEHHBOZSA-N	714.842	9.214	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc(C)c1	408854761	AVCRUKOJLNOZNC-IDWIKUEFSA-N	655.536	7.717	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	408864393	UYFNGQIOTIASNI-VUAMSRTMSA-N	571.702	6.957	50	40	KKGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1	408879182	BDQNZDJARZOOBP-KYHGBAKBSA-N	609.104	5.038	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1Cc1ccccc1Cl	408880911	KJYXVLNOAPGEJL-GIJQJNRQSA-N	530.249	7.209	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1	408888602	XSFFYLNMNOOJHH-DEDYPNTBSA-N	534.952	5.299	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408889579	FMVXPIRHVTZHCM-LQKURTRISA-N	508.983	5.342	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccc(I)cc1	408892076	ARMICZQNGRNJNE-LDADJPATSA-N	514.750	6.069	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1c(Cl)cccc1Cl	408893454	GFIXMOQMZWRFIO-GZTJUZNOSA-N	593.248	7.121	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408900386	VLKHRWNJURZSFJ-WPWMEQJKSA-N	567.483	7.770	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)ccc1OCc1cccc(Cl)c1	408907527	QDSBWRAMXCLRPO-ALQBTCKLSA-N	626.562	6.701	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)c(OC)c1	408950235	GQQMGIUTBDDGBE-OEISHWKDSA-N	715.985	5.419	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)c(OC)c1	408957165	SOEVCIMTVIEEIA-UIGQDENISA-N	791.437	5.670	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408968893	CLTSORUQQAOPLV-KANRJXOXSA-N	619.332	7.205	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)OC	408969961	XVQONGGCKXLFOW-IFRFXNDNSA-N	695.394	5.352	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCc1ccc(C)cc1	408973056	RQIFTHFMZKNABW-CCVNUDIWSA-N	523.383	5.864	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccc(C)cc4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408993869	XPHSCIRXTOMTIE-CZGSFFRJSA-N	682.784	7.244	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5C)cc4s3)c([N+](=O)[O-])c2)cc1C	408994512	ZNIPPPJCPAQLNU-HZHRSRAPSA-N	619.728	8.079	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cccc(I)c2)c(C)n1-c1sc2c(c1C#N)CCCC2	409002646	VXKSYXIJXDIHML-ZMFRSBBQSA-N	528.419	5.275	50	40	KKGB	
CCCOc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	409011247	FLSSKLAFNIRSFI-BKICRHHVSA-N	538.472	5.239	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1ccccc1Cl	409017151	VDDNQVWECYYEOS-PNQUVVCRSA-N	779.594	7.800	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cc2cc(Cl)ccc2o1	409018946	ZLXQWQVULKLVPT-QXUDOOCXSA-N	560.997	7.883	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cc2cc(Br)cc(I)c2o1	409020469	PQKHGXXTDJUCKC-IPBVOBEMSA-N	644.090	7.450	50	40	KKGB	
COc1ccc(-c2cc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4Cl)c4ccc(C)cc34)c3ccccc3n2)cc1	409035784	UDGQQLCYVLWMJH-CLHYIUPASA-N	573.096	7.948	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1cccc(F)c1	409035811	UERUNKDBYBDILF-KVAAJVFYSA-N	587.076	7.698	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccccc1Cl	409042293	XCUBDJQXHXWVQL-KVAAJVFYSA-N	694.982	8.163	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl	409069692	XCQCXKZBISIQGH-RVDMUPIBSA-N	552.233	6.069	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079520	GJZFXMHIEGCHPS-VCHYOVAHSA-N	604.379	7.730	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(O)cc1	409081646	HLCDUADNVDBHTA-NTUHNPAUSA-N	538.265	6.964	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc(Br)cc1	409089105	HFLHSKFGXGKTBG-NUJZUDFISA-N	711.135	7.154	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1	409150583	CJXBBHRRPAEMIA-VVEOGCPPSA-N	669.303	5.275	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409190565	SHZLROCEZAODBE-XODNFHPESA-N	548.796	5.422	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccccc1O	409218438	FHHILTXDJHEWMC-VBQLZTBCSA-N	592.449	5.121	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409218997	ZJFJQVQMKSPKKA-UVHMKAGCSA-N	625.872	6.073	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)c2)ccc1OC(C)=O	409227346	XVCDXCRAPGCFGL-UHFFFAOYSA-N	644.478	5.927	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409252901	ABUMJZIKEPYSOJ-VHFSBPNMSA-N	731.616	7.565	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409258638	YLJLFGJAFMLSRO-YSYOEVFLSA-N	719.061	8.376	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)cc1Cl	409268710	XYMJEYROGLXVGY-FXMZOFOKSA-N	569.670	6.499	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409273517	YSJUNELVCOJFHO-QDTIIGTASA-N	544.833	5.509	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OC	409310271	SZCSGHWSFXJTMU-MWLSYYOVSA-N	507.974	5.003	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)ccc1OCc1ccccc1	409311685	HCBUHMHUYPGGJC-DLCNMLRHSA-N	583.899	7.967	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1OC	409312282	KOOKNKOJINGSML-CPDSRJINSA-N	653.755	6.444	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)ccc1OC	409314929	TWYJYBJZQCWVQH-AQLQTECXSA-N	581.931	6.629	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1OC	409320194	CFQXWBZWHDXFCU-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1cccc(Cl)c1	409380576	NUIJMVCGGZJMGU-YBEGLDIGSA-N	528.765	5.805	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409394635	DBDYNDDRAIITST-UHFFFAOYSA-N	798.635	9.778	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)c1	409394930	HRDZXSJQCZRRSK-UHFFFAOYSA-N	600.900	7.851	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409395539	OWDMBTBGBLJWNQ-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)cc1	409396142	WSBHSNBEVZTASM-UHFFFAOYSA-N	649.314	7.791	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409397036	FJMSAAOAHIBMSX-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccccc1Cl	409401712	IBVQCQPBMGHYJZ-WBIBEUCMSA-N	643.096	7.569	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl	1097688	UVWMPYBNXRVCEL-QFIPXVFZSA-N	528.859	5.903	50	40	KKGB	
COc1ccc(OC)c([C@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CC(C)(C)C3)c1	2186069	AONSIYMZXRHGQH-DEOSSOPVSA-N	528.678	5.735	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C\c3ccc(OCc4ccccc4)cc3)c2=O)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)cc1	2594719	FDEIFTLCDWDBER-FHOYFBCLSA-N	594.696	5.019	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	3232252	XIDFGKOKAOTFJW-CXUHLZMHSA-N	570.192	7.899	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(Cl)cc1	3232306	UTLMMIFQNMMJFZ-GIJQJNRQSA-N	501.797	7.170	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(OC)c1	6924520	DCUJGWNNMJNIJO-TXNBCWFRSA-N	502.634	6.213	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1	8766826	PYYZVHGPAVZYQJ-WBWFXSCKSA-N	525.630	5.545	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	9075600	RVKYGNITFBFSBP-DEOSSOPVSA-N	506.534	5.264	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	19953008	RMZVYWXOWHPJAA-LQKURTRISA-N	509.937	5.095	50	40	KKGB	
CC(C)(C)OC(=O)N[C@H](C(=O)N/N=c1\cc(-c2ccccc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3)c1ccccc1	60045090	LZYIOYNBXWTSNI-WCZKDGDASA-N	593.724	7.326	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1cccc(Br)c1	97959489	USVJMYWJMOTFNZ-AJBULDERSA-N	576.564	6.935	50	40	KKGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(Cl)cc1	97962870	VJZVBFNUYUMQGK-VOTSOKGWSA-N	556.706	5.786	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1cc(Br)ccc1O	97965762	HPAPFJYKMWNMFS-DBFSUHOCSA-N	529.221	6.831	50	40	KKGB	
COc1cccc([C@H]2C(C#N)=C(N)N(c3nnc(SCc4ccc(Cl)cc4)s3)C3=C2C(=O)CCC3)c1	98006248	NLPOOBAZWUNQJB-QFIPXVFZSA-N	536.082	5.797	50	40	KKGB	
N#CC1=C(N)Oc2c(c(O)nc3c2sc2nc(C(F)(F)F)cc(-c4cccs4)c23)[C@H]1c1ccc(Cl)cc1	98006325	DMZHPFDQYDTXCQ-INIZCTEOSA-N	556.978	7.169	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCc1cccs1	100056318	RRTUNQBVSJKIEK-LICLKQGHSA-N	532.257	6.075	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccccc2F)cc1	100124052	QFHQNKGYQOISMU-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	100128747	VIIYDJUOVWXENG-FJEPWZHXSA-N	556.475	5.142	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccc(F)cc1	100326177	YUHYQJMCLVPPHH-RPPGKUMJSA-N	536.195	5.702	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1cccc2ccccc12	100853140	RCPNNSINIZRXSK-PPFNPFNJSA-N	547.728	7.326	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(Br)cc3)n2-c2ccc(C)cc2)cc1	100853515	SKXCLZMOYGCYET-VEILYXNESA-N	550.482	5.646	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\C=C/c3ccccc3[N+](=O)[O-])nc3sc4c(c3c2=O)CCCC4)cc1	100858856	QYPKVWVGXVGBLZ-SWZQGZTPSA-N	559.673	5.450	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc2ccccc2c1	100952710	IJWMGPCHJOOYBJ-UHBFCERESA-N	529.390	6.700	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	102809876	JQYZXCVWRWYBGQ-HHHXNRCGSA-N	529.065	6.355	50	40	KKGB	
Cc1ccc(Sc2ccc(/C=C(\C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)cc2[N+](=O)[O-])cc1	102988779	GRMLJAPBNAUYDY-CJLVFECKSA-N	562.673	5.775	50	40	KKGB	
FC(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528926	KHDHMLFFLZUADC-REOHCLBHSA-N	541.995	6.481	50	40	KKGB	
COC(=O)[C@@]1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C)/C(=N\NC(N)=O)C1	104074152	UEHPPJREDWXIJQ-MTNZGKDUSA-N	581.798	6.447	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccncc5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	112255801	VYLGIMAUCHKRAF-HBKHLPLRSA-N	547.014	5.010	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341837	QJJVVKLGJWQDPD-LJQANCHMSA-N	862.478	14.086	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795309	RPPYLFHZJAFBAV-OCAPTIKFSA-N	802.060	9.871	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(Br)cc1	408526581	CPAJCQKPDCBHGZ-WQRHYEAKSA-N	548.072	7.617	50	40	KKGB	
COc1cc(COc2ccccc2/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1	408539699	YBRCUBVXYVGXNT-DIBXZPPDSA-N	504.586	6.707	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OC(C)C	408551635	DWINMBKEZRERGX-CXUHLZMHSA-N	514.445	5.993	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408581981	KMPJWXFKFOZWBH-VCHYOVAHSA-N	578.098	7.626	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCc1ccccc1Cl	408586087	BGMREJUWLAOKJM-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408641953	LMYKDDPXNDIIOA-QYOOZWMWSA-N	716.810	6.030	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408644092	QRGTXVULQMVAET-OAHLLOKOSA-N	831.364	8.577	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408653924	QCNODTGJFTTWBY-YQTLKADXSA-N	533.839	5.262	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(Br)c1O	408743385	SMOGLEQSXAUTIR-KEIPNQJHSA-N	580.482	7.442	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1	408745111	PLLBUFZSPUMGCK-ODLFYWEKSA-N	525.374	6.120	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408750236	YKCQLWLJHHPPNK-RPPGKUMJSA-N	664.261	5.437	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)c(C)c1	408793158	DFDQHLWJMGCVRT-DJKKODMXSA-N	605.245	6.934	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(C)cc1	408796821	QBLYQJBEXNTVGQ-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1	408806249	MIBFVSJZXSCKLD-RGVLZGJSSA-N	525.830	6.934	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1	408807534	DCZXYQPGWBQQNY-DEDYPNTBSA-N	539.813	6.404	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1	408817878	UTCZIWZQJDIFPU-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(C)c1	408820231	VZGNVRXEHWDOOA-QHDYCIAZSA-N	529.640	7.113	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OC(C)C	408830665	ONEALGCIMLNPTN-FYJGNVAPSA-N	525.432	7.304	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1)S(=O)(=O)c1ccccc1	408831334	PZJRMPXMMWFWEN-UACWCTJZSA-N	674.222	8.540	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)cc3)cs2)cc1	408838454	FMQIDAOROVNWTC-OKCVXOCRSA-N	537.601	7.103	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408838797	IMZUXDNYYHBVFB-AMVVHIIESA-N	609.502	5.949	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408839915	BITYZSKVEDWEBZ-ZHSUKTGHSA-N	678.487	7.247	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408841605	LYQIJLAYYAEQJA-FDAWAROLSA-N	580.062	5.431	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)Cc1ccccc1	408844185	OUOJWXJLNKXRRS-QNKGDIEWSA-N	535.600	5.558	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2C#N)cc1	408854938	BKLKWRUVNDBDJS-QHDYCIAZSA-N	510.597	6.667	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408855195	DFSKKNVNOYENHC-LOAJVOFASA-N	599.938	5.409	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1OCC	408860727	CQZRGGYTJZIWNC-STBIYBPSSA-N	564.491	5.527	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)c1	408860886	HGRVGGNPRNSTIO-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Cc1ccccc1Br	408870474	FDLJIJRJCZVSBB-OVVQPSECSA-N	567.483	7.563	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1Cc1cc(C)cc(C)c1	408872942	LOZFMZIGWQORCG-ZVHZXABRSA-N	564.467	7.006	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c(OC)c1	408877472	VGRLQXWQUMTGTJ-CIAFOILYSA-N	555.416	5.248	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408882007	NGVZTQRYJHWQMG-RIYZIHGNSA-N	539.844	5.411	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408887015	LFJNVSQCJFDWNV-LICLKQGHSA-N	536.242	7.824	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408887099	NWZPJEVFEGNLBF-VCHYOVAHSA-N	552.337	5.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OCc1ccccc1C	408921716	BKLVJXLEOVNNOI-VXLYETTFSA-N	526.376	6.733	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)c(OC)c1	408947089	AFJNOBVYUFNEOY-DMFIQNIRSA-N	777.410	5.361	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)c(OC)c1	408957154	SLDATFWJZIAELD-PDQWDMBESA-N	703.949	5.549	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc(Cl)cc1Cl	408967688	RSAWWFJLHWNEFJ-PNQUVVCRSA-N	565.226	6.508	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c2ccccc2)cc1	408979992	PFBVJDSRUHNPEK-FUGGPRTCSA-N	545.636	5.273	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408985755	YLCFVVSBMLEHSB-YBFXNURJSA-N	570.827	6.843	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1	408994469	ZIJQFFLYZYTXCI-VOMPUTFMSA-N	611.661	5.358	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC(=O)Nc1ccccc1	409003826	VGTDWGHFIKQBAT-FVLNWLHUSA-N	564.642	5.114	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409015356	RQGQFHMONDBTJZ-AEVGBRMKSA-N	636.576	7.016	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409030404	DFOIHEUDTFJFAD-KCSSXMTESA-N	522.605	7.036	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409039026	QIUIGLZHMGIVDD-QNVXDBMFSA-N	637.976	8.865	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409050978	FSLLRHPMHJLGFX-XKJRVUDJSA-N	617.698	7.301	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	409071794	PYBWMHDNTJDNPN-XDHOZWIPSA-N	543.395	5.896	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OCc1ccc(C(=O)O)cc1	409074066	XPGWNTYTVYVHMI-VCHYOVAHSA-N	552.324	5.782	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)cc2)cc1	409115110	KEQLQPQCVUWMGC-AJBULDERSA-N	507.615	5.890	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)cc2)cc1	409117414	RBEMSISJBPWIRZ-ZCTHSVRISA-N	639.515	5.524	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc(Br)ccc1O	409147236	XIWKFUMHEDHNCN-OXUBWTJQSA-N	745.964	7.014	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409203593	YXKWFZYISJMNJS-XKJRVUDJSA-N	602.765	7.629	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409218988	MCFYHVJMDWLFJK-UHFFFAOYSA-N	656.276	6.900	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409223076	GFQWOXQSADWYDA-FYJGNVAPSA-N	595.437	5.870	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1	409225615	QAFUJERBIDZGFU-IEDMBOGJSA-N	644.080	6.009	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409264808	QPAJNAUIMWWXRZ-WBIBEUCMSA-N	731.616	7.647	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OC	409317569	QUUMPFCETJAQFI-UHBFCERESA-N	630.435	5.304	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409327497	UQMCKPPQEBEKTB-NHCUHLMSSA-N	582.893	5.464	50	40	KKGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC	409330512	BBUMSKCZZLEKON-RHANQZHGSA-N	584.410	5.053	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1c(Cl)cccc1Cl	409369040	YTQUXYCEIBTLMZ-FXMZOFOKSA-N	624.171	6.404	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2OC)cc1	409381406	MAZPYTIFMNDPOE-UNOMPAQXSA-N	550.409	5.338	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409383770	GERYSTHWEHKNDO-APTWKGOFSA-N	640.905	6.309	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409394572	CIMUMEUATXTPRY-UHFFFAOYSA-N	733.766	9.324	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)cc1	409394597	CORGJYLBRASWDF-UHFFFAOYSA-N	760.664	8.768	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409396204	XBMPTHKUYZXDMS-UHFFFAOYSA-N	677.895	7.159	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccccc1	409396655	ZTNASTAVUADKHA-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397318	IPSLZPUGRWILJH-UHFFFAOYSA-N	627.311	8.440	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409397803	OFUHEAZXLOXEHP-UHFFFAOYSA-N	612.480	6.988	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409398119	QTTGQNKBMIEOHU-UHFFFAOYSA-N	591.973	7.499	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3ccccc3C#N)o2)cc1	409400067	BFPVFEPUEGZPJW-KMUKQRDJSA-N	589.608	6.389	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)Nc1ccccc1	409400280	CMOHJBLJLGTGBX-BIKKEBSBSA-N	632.717	6.785	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1cccc2ccccc12	409401831	IGSUDAGSRRPCTC-BOABNOFISA-N	692.610	8.923	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4Br)cc3)o2)cc1	409403428	MVFWMUNMOGQPNG-AEUUOICLSA-N	677.393	8.134	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1	1529547106	ISSGOUZFEQNSKV-MKEMXLLOSA-N	828.442	5.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	1529547914	RMKZPDUBDJWQNF-TXFJQYODSA-N	687.616	6.066	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(OCC)c1	1529548231	ZILDPQDJCQCMSA-GQNRCZHFSA-N	652.773	5.703	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1	1067138	YTWBXGAHWLSVRY-SANMLTNESA-N	514.676	6.017	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])n2-c2ccc(Cl)cc2)cc1	1763093	MWDWNRGLFYAGDB-RBGQVUTESA-N	533.013	5.712	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(Cl)cc2)cc1OC	1897283	GIDKOUNLIDKYQE-MUFRIFMGSA-N	552.056	5.246	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1	2234268	IPWITUTXJUEDET-UVHMKAGCSA-N	500.386	5.623	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2346135	FPDCIYCKUQXHOH-OCSSWDANSA-N	534.085	6.136	50	40	KKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)s2)cc1Cl	2670889	HHNNOWHFGQMUSO-LICLKQGHSA-N	539.400	7.063	50	40	KKGB	
O=C(COc1ccc(Br)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	3036123	PQGZXXTUSMAJIU-KIBLKLHPSA-N	512.238	5.165	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2I)c(C)n1-c1cccc(Cl)c1	3254390	RAWKLEPSVZLDDR-GZTJUZNOSA-N	501.755	5.898	50	40	KKGB	
O=C1NC(SSC2=NNC3(C(O)=N2)c2ccccc2-c2ccccc23)=NNC12c1ccccc1-c1ccccc12	5853727	YPHGNFUZJXVGOR-UHFFFAOYSA-N	560.664	5.037	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	6074280	OQZORIZRYSPIJH-XZYGTATASA-N	606.716	6.183	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCOCC1	6445781	QCEZKCHLIFIBQP-GCZGMXNJSA-N	595.077	6.014	50	40	KKGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	12251101	RWIBYHFIIIASTA-DEOSSOPVSA-N	506.002	6.278	50	40	KKGB	
O=C(CCCCCC(=O)NN=C1CCC(c2ccccc2)CC1)NN=C1CCC(c2ccccc2)CC1	20510042	NGRWDUPOPWOANU-UHFFFAOYSA-N	500.687	6.597	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)c1nc(O)c2ccccc2n1	26779640	NBXRCBVSVSKFBD-BWAHOGKJSA-N	521.580	6.831	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)cc1C	28216920	WOWWLMDZALLCKV-KBVAKVRCSA-N	502.083	7.421	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)ccc1Br	59333140	RPYDYWOFXUGFJE-QJOMJCCJSA-N	503.444	5.421	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)cc1	97951255	ZWUMEXSQESJQMP-WJOKGBTCSA-N	549.696	6.629	50	40	KKGB	
Cc1ccccc1NCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1I	98001734	PLGROCZJULPEQG-KVSWJAHQSA-N	671.127	5.906	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)c2C)c(C)c1	100100198	WBGLOUGGKAUJTN-KBVAKVRCSA-N	546.534	7.530	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100122973	HOBICVCLIAUIOI-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c(C)c1	100129956	VHHWLRNDTIEDDK-UCMJSZAQSA-N	577.150	5.748	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)cc2)CC1	100290278	MZRZBZARJHDZBN-JEPNHJGPSA-N	590.555	6.496	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1)c1cccc(Cl)c1Cl	100379184	LPPLQCXNRNSXJM-LGJNPRDNSA-N	555.281	5.486	50	40	KKGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	100418013	QSGDUVBYLXJURZ-UXHLAJHPSA-N	522.001	5.639	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1	100827806	LJUZAORXYDSSQS-RAMZYJDASA-N	546.048	5.890	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	100941774	JBKXPYFSQDANAI-DYCUMYEBSA-N	584.224	5.332	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	101305030	GYILJXUCGTZZOQ-AREMUKBSSA-N	544.076	6.417	50	40	KKGB	
N#CC1=CN2[C@@H](C=C1)[C@H](C(=C(C#N)C#N)c1ccccc1)[C@@H](c1ccc(Br)cc1)[C@H]2C(=O)c1ccccc1	102416575	WPNWFDHBIAIXKW-QGAYDTHSSA-N	557.451	6.563	50	40	KKGB	
CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527823	JQCNFFGMQPDXOZ-SCSAIBSYSA-N	502.052	6.329	50	40	KKGB	
CCCCCCCC[C@H](Br)[C@H](Br)CCCCCCCC(=O)NCCCOC	104109891	YYADWEWIARORIR-LEWJYISDSA-N	513.399	7.147	50	40	KKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C(F)(F)F)C3=C(O)CCCC3=N2)c1	104130396	FKTKNUWHSBAIPV-XMMPIXPASA-N	511.569	6.964	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12	112255481	AEKKGHMYEUUSNV-XQYIRPNZSA-N	575.668	6.125	50	40	KKGB	
CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341679	HJXXEXBPGSUBFD-AWEZNQCLSA-N	992.371	14.677	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341892	QMOYVJKFWOJFEA-FQEVSTJZSA-N	676.477	11.935	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccccc1Br	164577400	RHNGDBWHMIRKFI-IPPBACCNSA-N	711.135	7.154	50	40	KKGB	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21)N1CCCC1	245231556	GBKPKVQLURYXHU-YWAOTASRSA-N	579.078	6.778	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Br)cc1	408526317	BRYZCWVGJOXBFN-WQRHYEAKSA-N	514.173	6.763	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccccc1Cl	408543619	PKGDLSLSOWDGFV-NVMNQCDNSA-N	541.785	5.934	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)ccc1OCc1ccccc1	408550610	FRHLVGDASBFXSM-BYDMSBDESA-N	736.244	7.887	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccccc1F	408554628	SIWZPWSWPXBSLS-YBFXNURJSA-N	627.479	6.766	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(C)cc1	408567537	FOHSGWFAYZHMSU-GRSHGNNSSA-N	553.375	6.657	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408568775	KWBRKHARMBEFFB-VFLNYLIXSA-N	760.413	6.181	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	408570748	YAZZVAYDOKCRRN-WKULSOCRSA-N	616.559	5.483	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1OCc1c(F)cccc1Cl	408602413	DLOXKRNMLFFPNA-GOSISDBHSA-N	511.981	5.180	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1	408611981	SXLFERDLUYITQA-FJEPWZHXSA-N	548.854	6.494	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408658100	UVJJDJYXRKYSQZ-BRORTUQTSA-N	654.506	6.378	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	408686443	SMSDMBVMBXAYDH-DJQNJWNESA-N	586.202	5.240	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408711925	QTCHOMLIXYVPFW-LUOAPIJWSA-N	589.644	6.603	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccc(Cl)cc1	408723277	PWJHQNLRMVWNRQ-AXBAISPRSA-N	566.444	5.960	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2Br)cc1Br	408723845	UPCVESRGDXIFTA-AWQFTUOYSA-N	505.004	5.137	50	40	KKGB	
Cc1ccc(OC/C(=N\NC(=O)[C@]2(C)NC3(CCCCC3)Cc3ccccc32)c2ccc(Br)cc2)cc1	408734516	WRDXCLAYJXWUPN-MAKMZVPWSA-N	560.536	6.421	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)c3cccc(Br)c3)c2C)sc2c1CCCC2	408741764	KYOVMKCWZHWXCL-DEDYPNTBSA-N	509.469	7.038	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)c3cccc(Br)c3)cc2Br)cc1	408758078	GJKRRWUTEMJSDT-BRJLIKDPSA-N	631.140	5.814	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	408767596	MXPYAUSKGUVNGF-BIZUNTBRSA-N	592.073	5.222	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)sc(C)c1C	408783991	RGULPKKDXCCQAN-ULJHMMPZSA-N	516.667	5.205	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(I)c2)c1	408792216	JQLTTZHYSXETPV-OVCLIPMQSA-N	536.167	5.119	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1	408793288	DSNQKEQVENJAHX-CIAFOILYSA-N	598.291	6.821	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1cccc(F)c1	408795683	VWTZLTREALBUAL-PCLIKHOPSA-N	601.472	7.691	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408795784	NBXWUWFSKPLGRW-LDADJPATSA-N	508.328	5.491	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1	408798899	XMZPEYIZCACUMZ-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1	408799453	ZIUFHEIWVCRJKA-XDHOZWIPSA-N	558.803	6.468	50	40	KKGB	
COc1c(I)cc(I)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	408799653	ZUUNKMSXIRGWLB-VGOFMYFVSA-N	558.157	5.067	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	408809370	GZWWXKTTWQMKKJ-KGENOOAVSA-N	513.391	6.741	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408810811	KMUMFXOOMZNYPY-DXJNIWACSA-N	511.578	5.167	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(I)cc1	408816158	KSBVFQKGPNPYPY-WKIKZPBSSA-N	605.226	6.151	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Cl)c2)cc1Cl	408818612	XPSWUHISKGKUCY-LPYMAVHISA-N	501.413	7.888	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2Cl)cc1	408821696	AFRBFYZFPLLRFU-ZVHZXABRSA-N	577.895	8.659	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408824679	HFCGWRJGWBNQGN-NHFJDJAPSA-N	545.038	8.197	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	408832560	ZPIYDMGUFZXIJW-QNKGDIEWSA-N	555.700	5.790	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408837383	DMZIGPWEVJRDGG-WCMJOSRZSA-N	566.001	5.578	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840413	BFPPVESCMNYIOO-KCSSXMTESA-N	539.060	7.550	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408841375	GOUGIBMNHBBNNM-JAVXJAORSA-N	657.929	8.536	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1	408851221	WMPSUDTUMQNGHB-KMUKQRDJSA-N	608.492	7.287	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Br)cc1	408865953	DYXXPOZFIFUTRE-JNKLXYNLSA-N	613.965	5.717	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408882583	RHDUYKMEHPUYGS-IFSBUVSJSA-N	548.064	5.376	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OCc1ccccc1	408885104	XMEZZUSUDLMBRQ-VCHYOVAHSA-N	590.699	7.307	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408886314	GBZWUVAKYDVNMD-FYJGNVAPSA-N	616.477	5.929	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1I	408889692	JABOKHKLKYOINI-VZUCSPMQSA-N	623.572	5.402	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1	408891604	TXZIEBMVWNPVEQ-BRJLIKDPSA-N	625.320	5.363	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1cccc(I)c1	408924487	OQRZETHCUBSXMD-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1cccc(Cl)c1	408924868	PBRVAJNNMJHBRZ-VFCFBJKWSA-N	607.069	8.382	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	408941995	RCMQGRDSKIXSDL-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408947308	BXQMIQVZDDCFCV-JAIQZWGSSA-N	616.286	6.924	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(C)cc1	408960128	CCJYAFYAINBOMX-CCVNUDIWSA-N	599.381	5.996	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c2C)cc1	408981186	VDPCKZFDAIHDAL-GQCRFCPSSA-N	558.704	5.361	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1	409006669	QRNQYAOUZYWIBL-PWQQBKHXSA-N	538.987	6.250	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	409025134	MDRRKEQJSSWMHJ-JEPNHJGPSA-N	620.171	6.589	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409085975	UDMWERNUFCEMPC-XDHOZWIPSA-N	605.491	8.098	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1	409169545	QRNHYBICTGSCJW-KBVAKVRCSA-N	542.463	6.539	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(O[C@@H](C)CC)c(OCC)c3)cc2c1	409187139	MRGWCALYZZPDOR-OPAMSOAESA-N	550.393	5.776	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2)nnc1-c1cccc(Cl)c1	409191711	LHEWHKGGKBAAKE-CVKSISIWSA-N	506.975	5.442	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409213650	UUDSARWXIUNCLT-MFOYZWKCSA-N	687.069	7.210	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409223186	FQEKCKWTDZFUFJ-LDADJPATSA-N	554.828	6.064	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc(Br)cc1	409249076	RZKDBDBGIFOZFQ-KKMKTNMSSA-N	563.905	5.729	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409251981	ROUWXOFIBIAXPW-YQUKCCFRSA-N	544.482	7.764	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccccc1Cl	409260298	OESIEMRBQHVNLZ-XLLDZARQSA-N	512.393	5.084	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)cc1C	409262008	GYPHPLSKPYJTRT-NVJOKUIPSA-N	504.801	6.045	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccccc1C	409262036	CCWSKXIICYBNTM-XKZIYDEJSA-N	609.464	6.178	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409266221	PHGGWCGHUGALBY-NVMNQCDNSA-N	660.852	6.123	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)c1C	409267259	MUJRASNLRBICQI-ODLFYWEKSA-N	538.829	6.283	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(F)cc1	409321661	UJMPQNDHSVWMCC-MUXKCCDJSA-N	531.378	5.347	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409354357	CYUBGXUTTLKXQO-KVSWJAHQSA-N	520.786	5.391	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409383370	WUQKGWSDSVKRSE-NVMNQCDNSA-N	608.128	6.649	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1	409383706	ATAIMOCMMXZRKU-XDHOZWIPSA-N	523.477	7.693	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409394820	GJVXBRQKZRCSGF-UHFFFAOYSA-N	719.739	9.015	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409394873	GXUILNYMJJWBJW-UHFFFAOYSA-N	709.778	8.034	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)[nH]c12	409396053	VUGRBZFDNVBVHU-UHFFFAOYSA-N	695.795	8.313	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409402353	JVUXZTYJWDBXCN-CNCDYAKUSA-N	628.907	6.388	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2[N+](=O)[O-])c1	409403872	OJHIUTASHHZKLO-FZKWRIDDSA-N	578.625	6.826	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC#N	409404581	QHTHVMWUYPHMRB-GXBUFBABSA-N	552.631	6.060	50	40	KKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409406058	VWZWGKTZLLFUBD-TVFHRURHSA-N	530.581	6.116	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)o2)cc1	409407371	FMVRKAWFRXAELM-VHFSBPNMSA-N	574.603	7.456	50	40	KKGB	
Oc1c(P(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c([C@@H](O)c2ccccc2)ccc2ccccc12	675083005	XQPCCSXKZVITFS-LHEWISCISA-N	560.633	8.206	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12	1529548380	DZRIGCRAHJIHHU-BNWCFHQTSA-N	616.143	5.228	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	1529548614	JZZUPUZRMHNGHR-DBXYLJAYSA-N	750.499	6.619	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1cccc(F)c1	1900231	KZPCKAHEDONPNT-VULFUBBASA-N	510.392	5.078	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2cccc(Br)c2)c1)C(Oc1ccccc1)Oc1ccccc1	3087936	MMHFFOLUCHEVNK-NDZAJKAJSA-N	531.406	5.962	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)cc1	3193498	UKKLIJQQZBQKQU-BHGWPJFGSA-N	514.258	6.048	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccc(Cl)cc1Cl	6906509	DNKGTCWIHNHVGM-YSURURNPSA-N	514.228	6.169	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1OCCOc1ccc(C(C)(C)C)cc1	8861588	QROICHGPPLVLIG-JVWAILMASA-N	528.700	5.243	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1	10476022	MNDHTZNBANMSFQ-MUFRIFMGSA-N	501.410	6.063	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)c3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	12250295	SCHDGKJVIIBXAV-MHZLTWQESA-N	511.603	5.352	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc(Br)c1OCc1ccc(C)cc1	28217746	XCVBOZCEACICSX-UBXTYJAUSA-N	513.457	5.976	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	59222107	HXFPJQYFJOSVTD-NHDPSOOVSA-N	530.968	5.583	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(F)cc1	59336522	CYOMHVNCNYZYHI-MOSHPQCFSA-N	511.380	6.994	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	97999633	DGVYOHWUMVCRKZ-GDLZYMKVSA-N	574.102	6.324	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2ccccc2O)n1-c1ccccc1	98045820	RWPYAEVNURELNN-RDYICOSNSA-N	612.497	5.129	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2Cl)=C(C)N1	98048648	PNCSWTUQFHTCCQ-AREMUKBSSA-N	567.498	6.855	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1cccc(Br)c1	100258310	HXNPVXLSDIRXJF-RDRPBHBLSA-N	565.493	5.446	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	102933113	KPQQJMDGUHINRC-PDGQHHTCSA-N	576.790	6.929	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br	103789523	LZFQMAVJCQGPGA-QGOAFFKASA-N	531.248	5.032	50	40	KKGB	
N#CC1=C(S)N[C@](O)(C23CC4CC(CC(C4)C2)C3)[C@H]([n+]2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)c(Cl)c1	104029427	UETOMYZMPXKZIT-HLZKRYDNSA-O	563.574	6.932	50	40	KKGB	
CCCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC(=O)N(CCCC)CCCC	104109947	XAYLSPSUENQNBV-DQEYMECFSA-N	553.508	9.424	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	112255468	XZXKWVDTQITJRW-AVQJHCKASA-N	604.504	5.735	50	40	KKGB	
CCc1cc(C)cc(OCCOc2c(I)cc(/C=N/NC(=O)Cc3nnc(NC(=O)c4ccc(OC)cc4)s3)cc2OC)c1	150391706	CLPSHCOOQNQXAY-DPNNOFEESA-N	729.597	5.434	50	40	KKGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	195804637	YZHKRXBIMOGRMG-XSARVHFWSA-N	610.037	7.109	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OCc1ccccc1	408543538	PTIIQYQPDVWAFC-RGVLZGJSSA-N	535.385	6.436	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(C#N)c1C	408547007	QGRILNLYTSEDSK-UDWIEESQSA-N	515.547	5.311	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC	408551126	BRPNTMLPTXZIMF-MHWRWJLKSA-N	512.429	5.770	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cccc2ccccc12	408567598	ORLCOYZMNDOJTB-NUJZUDFISA-N	666.684	7.045	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408567954	QVYOPMAWSWXBQA-RZNTYIFUSA-N	596.081	8.177	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc(Br)cc1	408580346	ORDRPUGCXZQPOL-WOJGMQOQSA-N	503.621	7.508	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCc1cccc2ccccc12	408581596	JHYGNZBRNHNZEZ-BUVRLJJBSA-N	561.419	7.495	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc(Cl)cc1	408599430	UTRSFNBAEKLBPS-WKULSOCRSA-N	576.862	6.594	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408640143	HMJZKKNRWBZRAU-JVSBHGNQSA-N	727.189	5.968	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408652555	PBQXTWBSTCYUKA-BRORTUQTSA-N	643.954	7.123	50	40	KKGB	
O=C(N/N=C/c1c(O)c(Br)cc2ccccc12)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408732639	SXNMFWBTMRRDRN-XAZZYMPDSA-N	573.472	5.711	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408746427	SPBYEJDVIRYOCR-ZDLGFXPLSA-N	586.236	6.043	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)ccc1I	408747694	RPKWSDORWJRJPF-LUOAPIJWSA-N	634.095	6.712	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)c1	408757101	WSUSLUOCKSXFHK-RCCKNPSSSA-N	506.580	5.106	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408760383	XSMZIPBLVOWABS-PXNMLYILSA-N	625.542	7.752	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1cccc2ccccc12	408760611	BQMYENIINQKMAY-CIAFOILYSA-N	639.287	7.340	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408785016	FHNUJQBPTYXNCM-JMIUGGIZSA-N	621.302	7.738	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Br)c1	408788290	JLGUBWAKSRYKNU-SRZZPIQSSA-N	554.282	7.262	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408791969	FXLWJQIPHKXSGP-XIEYBQDHSA-N	505.530	6.298	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCC(=O)O	408792124	IFCYRMFYJPSUTK-UDWIEESQSA-N	598.393	5.278	50	40	KKGB	
COc1c(I)cc(I)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	408795525	LXLXQRALZXJZES-VGOFMYFVSA-N	558.157	5.067	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1ccc(I)cc1	408797435	RMGKUPNFFHANAF-UDWIEESQSA-N	661.290	6.364	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408822235	LHFVSMMSHMIVLC-WSDLNYQXSA-N	628.339	9.012	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCCc1ccccc1	408825515	ATNWDAOFTOYSJF-MOHJPFBDSA-N	594.520	6.243	50	40	KKGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408825599	DHJQGHFXAUSDJW-XGICHPGQSA-N	552.201	5.694	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408834047	SSFHKAATTNAAPC-VWJSQJICSA-N	636.941	6.412	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408842060	NPDSXGDWXOKAQZ-FMFFXOCNSA-N	639.959	6.091	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(I)cc1	408843049	LKMCYJVVOKTYPI-QNVXDBMFSA-N	773.878	8.926	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845604	QRZGHILVURNETP-AABVJFSESA-N	591.495	8.343	50	40	KKGB	
O=C(NNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408846156	QVOPTWLZOUTQGI-UHFFFAOYSA-N	563.806	6.097	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc3c(c2)OCO3)cc1	408852540	HGWFPNBKVIPSFP-KMUKQRDJSA-N	608.492	7.287	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1	408857926	NQOCPYCBMICOIM-PPDIBHTLSA-N	609.645	6.796	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccccc1	408865314	CZDTYRWZZUQEDA-LQKURTRISA-N	514.047	5.029	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccccc1	408869151	RARTWKMWYCYOAH-AMVVHIIESA-N	587.485	6.176	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408886435	HJXVUEPVEGTUGA-IIHBXENTSA-N	663.472	6.647	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(Br)c1	408891820	VVAIUOQCSOTFGT-LICLKQGHSA-N	639.569	8.061	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408905158	UMKMOPWSHKSVDD-WKIKZPBSSA-N	561.820	6.452	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1OCc1ccc(Br)cc1	408926841	YUAZKNLCLQTNDP-ALQBTCKLSA-N	595.578	7.420	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(F)cc1	408944757	JRMQXZPMLSOAEA-NDEPHWFRSA-N	685.572	5.061	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc2ccccc2c1	408956868	YWFDXNFYNPKERL-QRQIAZFYSA-N	515.613	6.565	50	40	KKGB	
Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)c1	408971443	OMISKWHIZYTCOE-RCCKNPSSSA-N	527.562	5.529	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c2ccccc2)cc1	408979332	MMWNEHHJDSIWPK-OFHHYUCBSA-N	667.813	7.022	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1cccc(F)c1	408979646	NOWMAQXGRONJAA-PYDFSNLISA-N	539.607	5.815	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OCC)c1)c1ccccc1	408998097	KBOMGOIKSTVFAY-INOZVXBCSA-N	694.364	6.359	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(C)cc2)cc1	409003811	VCFIPZIQCQMLOW-ZCTHSVRISA-N	507.546	5.239	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC	409041810	VSIMUMGBQJWQMN-LJUMEUDFSA-N	531.996	5.660	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1	409044137	AZXGZPJSWKFRLR-XSFVSMFZSA-N	534.410	5.719	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1	409066119	LSGBVXAOVAMFDD-RQZCQDPDSA-N	501.753	6.470	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	409074407	QXHRQJFJIIOERA-LDADJPATSA-N	585.423	5.707	50	40	KKGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409120910	XCHSLHYVRVJWNX-FDAWAROLSA-N	552.027	5.613	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	409172294	BWOTUEKWTOJIHB-IBBHUPRXSA-N	585.886	5.010	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409172778	LDLDRAWRRHJLRE-VFLNYLIXSA-N	655.276	5.103	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)cc2c1	409187954	VYKSOGCKBANXLE-QDTIIGTASA-N	617.250	6.608	50	40	KKGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c(C)c1	409188277	YFJPXYGQYQVONX-ZMFRSBBQSA-N	531.248	6.563	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409215599	BZFKRNRZVSCDLO-ORBVJSQLSA-N	593.157	7.884	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)c1	409221910	BQTHFSZXGHGUOG-KVRIYIHLSA-N	706.347	7.063	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2cccc3ccccc23)cc1OCC	409225925	SZDKJKYULUNGCW-MNBJERMJSA-N	516.981	6.274	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409234305	KSYQUMMHPPFIKL-WCIBSUBMSA-N	595.109	5.082	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccc(Cl)cc1	409247100	BTKAJGGLTKIUFB-RAWMCFOBSA-N	596.878	5.181	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409249594	JXEMFMWVJYKYKW-WSDLNYQXSA-N	562.464	6.255	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)CC2=O)cc1	409254590	XUVZCIHDJNIOKO-RDTXLYMSSA-N	542.419	5.093	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409255532	HSSDTGXTNKCNQM-OVCLIPMQSA-N	657.668	7.447	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl	409256029	NNBDFYFMAMDQRN-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1OCC	409304125	QCOMZYGSJNAXHS-UHBFCERESA-N	604.416	5.745	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409318395	VGDDJKHZGYVKEK-HQDYHJHZSA-N	633.495	6.477	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OCC	409325758	AQZDMQFGLFIRGD-LJUMEUDFSA-N	587.898	6.808	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1ccccc1F	409371371	HYNSYDZPWBNPJX-PXNMLYILSA-N	599.156	6.817	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(C)cc1	409384372	BTYNQUNXSACPIX-CCVNUDIWSA-N	523.998	6.513	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409394603	CRNYBNFMLCRBSL-UHFFFAOYSA-N	741.820	8.022	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409394607	CTCLJQFICKKPQE-UHFFFAOYSA-N	612.082	7.114	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396190	FQRRUTIVNHJERN-UHFFFAOYSA-N	731.896	8.494	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)c1	409396276	XKPISQUQKLIKES-UHFFFAOYSA-N	694.323	7.194	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396537	WBADDHFPIMQECV-UHFFFAOYSA-N	596.565	7.107	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C(F)(F)F)c4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397645	MGHAKYBXRBRMBU-UHFFFAOYSA-N	636.026	7.898	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397839	ONQFWXXXVBXCJT-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3F)o2)cc1	409402389	JZPOHSWFNRNZCD-RODHXAHZSA-N	704.509	6.857	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)N1CCOCC1	409404168	PCOWBJVHVXCYPJ-HQDYHJHZSA-N	665.541	5.039	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4)cc3)o2)cc1	409407208	ZBYOEKZXPBOWAZ-FZKWRIDDSA-N	598.497	7.372	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Cl)cc3)o2)cc1	409409718	QMIKTENMNPDXLD-HQDYHJHZSA-N	613.026	6.811	50	40	KKGB	
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C=NNC(=O)OCC(CC)CC)cc1)n2C)c1ccccn1	2356096465	CVGQAZSBSLNMOA-UHFFFAOYSA-N	627.746	5.677	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/C(Br)=C/c1ccccc1	1813687	UXHAYTRBHLUSIH-QIJPBRGASA-N	539.933	6.114	50	40	KKGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)c1O	1815392	IOOQAKPXCKPXAY-BIZUNTBRSA-N	555.704	5.917	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccccc1C(F)(F)F	1821801	JCXQXCGFVAJNTC-KKMKTNMSSA-N	518.611	6.245	50	40	KKGB	
O=C(CP(=O)(c1ccccc1)c1ccccc1)Nc1ccccc1NC(=O)CP(=O)(c1ccccc1)c1ccccc1	1839304	DZDXGUJROAXCBO-UHFFFAOYSA-N	592.572	5.592	50	40	KKGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1	2561858	GXCHKPFRDJBJID-RGVLZGJSSA-N	558.412	6.643	50	40	KKGB	
O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1ccc(CSc2nc3ccccc3s2)cc1	2660513	NDFYCNRBFIUESR-MZJWZYIUSA-N	536.107	7.206	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(C(F)(F)F)cc1	2696278	FZUZUFYCILDXSN-IPPBACCNSA-N	560.399	5.958	50	40	KKGB	
CC/C(=N\NC(=O)/C(=C\c1ccc(N(CC)CC)cc1)NC(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1	8386255	ARJOVTNWIHTYCT-DTHOGQMESA-N	544.699	6.901	50	40	KKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3cc(I)cc(I)c3OCc3ccccc3)nc2c1	8405798	ATMSZSFZTWRDOD-VCHYOVAHSA-N	617.228	6.724	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1	8454658	XIQYJHHQFZNGGD-XICOUIIWSA-N	516.601	7.025	50	40	KKGB	
CCOc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccc(SC)cc2)cc1	16691635	BRPOLRKMSYMMDE-UHFFFAOYSA-N	531.744	5.711	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	19946779	VMEZPXRMJFTTDV-MUUNZHRXSA-N	508.647	6.010	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1C	28217198	IGWRLJWAZOLCHK-PPOKSSTKSA-N	519.693	5.797	50	40	KKGB	
CCn1c(SCC(=O)N/N=C\c2ccc(OC)c(OCc3ccccc3)c2)nnc1-c1ccc(C)cc1	30735502	IKPGJTFZZFAICP-RHANQZHGSA-N	515.639	5.103	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(Br)cc2)cc1	59856310	PQJRUZOBUUVCHV-FDAWAROLSA-N	596.934	6.570	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1	59856336	VLUJEWNBWYTKKD-AWSUPERCSA-N	546.092	6.506	50	40	KKGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1	83301553	KNTVJAVIWSTXHT-QMPKWXHSSA-N	506.342	5.524	50	40	KKGB	
CC(=O)N[C@H](Sc1nc(-c2ccccc2)nc(O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl	96022583	VLMFNPSOBKNKMU-WJOKGBTCSA-O	653.979	6.393	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)c1C#N	97955887	PZCGHPIRWALBHX-HBHSWBPBSA-N	682.369	6.203	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCC(=O)Nc1ccccc1	97960740	WKQWCNIRHSTGDS-HYARGMPZSA-N	587.474	5.612	50	40	KKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C(=O)OCCCC)CCCC4)o2)cc1	97968937	VNFFVSOWARMLNM-FCDQGJHFSA-N	574.699	7.346	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[P@@](=Nc1c(Cl)cccc1Cl)(c1ccccc1)N1CCOCC1	97984757	SGKGGSVWUKNSDH-PGUFJCEWSA-N	525.420	6.527	50	40	KKGB	
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C1C(=O)CCC2	98006153	LVOYKWXUGDVLGN-MHZLTWQESA-N	594.644	5.569	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1Br	100062771	ZBJQZCUYXSVIPJ-VYYCAZPPSA-N	527.216	5.355	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccccc1Cl	100120429	OXUWPKUGXYCPDD-KEIPNQJHSA-N	540.111	5.829	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1Br	100127592	XBJMXGQLPLAFEJ-UXHLAJHPSA-N	595.519	5.565	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2cc(Cl)cc(Cl)c2)cc1	100138979	WEHJVCXRZVBSNP-KKMKTNMSSA-N	545.275	5.954	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)OCCO1	100181951	CTCIGRXRFOMQKE-BHGWPJFGSA-N	546.643	5.047	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1	100289566	ATJOYJYDLXYTHD-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1cccc(O)c1	100840579	QAUCBQGLUXPVKP-WGOQTCKBSA-N	522.428	5.035	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	103895223	GRASRXHGBIWRIJ-LBTISBENSA-N	619.143	5.250	50	40	KKGB	
Cc1ccc2sc(-c3ccc(N4C(=O)C[C@H](SC(Nc5ccccc5)=C(C#N)C#N)C4=O)cc3)nc2c1	113482438	DBHSUZYNBBSZKK-DEOSSOPVSA-N	521.627	6.008	50	40	KKGB	
CC(=O)NC[C@@H](I)C/C(C)=C1\O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@H]1C	118917984	KGBSGBJFEOXATN-GAGUYCMSSA-N	623.616	6.746	50	40	KKGB	
CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341239	UAKCXZYWOHJHOQ-LURJTMIESA-N	630.120	8.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)cc(Br)c1OCc1ccccc1F	150353963	KOIVFDGMESMJHP-IBBHUPRXSA-N	626.508	5.671	50	40	KKGB	
Oc1ccc(Cl)cc1C1N(Cc2ccc(N(CCCl)CCCl)cc2)CCCN1Cc1ccc(N(CCCl)CCCl)cc1	150369879	GSSZBMLECNODLW-UHFFFAOYSA-N	672.956	8.020	50	40	KKGB	
Cc1ccc(S(=O)(=O)Nc2ccccc2C2N(Cc3ccc(N(CCCl)CCCl)cc3)CCCN2Cc2ccc(N(CCCl)CCCl)cc2)cc1	150382860	QTUYXIUKKQWGLG-UHFFFAOYSA-N	791.717	8.771	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	150481243	FODXOTCXBUXAIK-GUBAARJWSA-N	684.840	5.629	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	150490731	PDUMGMRPDCLJSK-KCSSXMTESA-N	652.571	5.169	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCCCCC[C@H](I)CC(F)(F)F	169795440	AEASXWRKYRDLON-IRXDYDNUSA-N	628.261	9.570	50	40	KKGB	
COc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408539413	HGKYPQAPHLZYIA-MNBJERMJSA-N	500.982	6.271	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408539527	WYTGADBDFKPJIS-NHYZDEDTSA-N	584.786	8.764	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)cc2OC)ccc1OCc1ccccc1	408539786	JRNIBALCIIJITO-PTZDRTPLSA-N	681.185	8.257	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)ccc1OCc1ccccc1	408540353	QOIUBBHWFHBQDA-CFRMEGHHSA-N	589.475	7.714	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1ccc(C(=O)O)cc1	408543303	QCVYONVCWGUPNU-NVMNQCDNSA-N	550.179	6.939	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408555859	YUYFWPWBNXMVEL-NVNXTCNLSA-N	590.217	6.227	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccn1-c1ccc(I)cc1	408570836	ZCFRFMBNYDKIMZ-ZVHZXABRSA-N	549.459	5.090	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	408582011	KZJSRPWSJGSHDI-DJKKODMXSA-N	618.855	6.361	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1OCc1ccc(Br)cc1	408606560	MIZVGCLEXQIHRY-FQEVSTJZSA-N	538.442	5.150	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408685943	QNVDBAWLEZPNPB-BDXSIMOUSA-N	634.108	5.381	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc(I)cc1	408712065	XXMFXCXXIMGENF-RWPZCVJISA-N	540.788	6.441	50	40	KKGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(I)c1OCc1ccccc1Cl	408740549	GYTRFFNWPDTJSB-LSCVHKIXSA-N	594.840	6.541	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc(OC)c1OCc1ccc(Br)cc1	408744379	FEMCUEQKMXAKEA-HAHDFKILSA-N	547.449	6.710	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408745094	PILOGPNDQCEOJA-NDENLUEZSA-N	538.341	5.423	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745537	NNXVNOSYZOICSV-MTJSOVHGSA-N	596.706	8.143	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Br)c1	408759983	PMGQDJQHBKVFGC-PXNMLYILSA-N	581.091	7.643	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408781980	FUMJJZLTAYCVGY-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1F	408789745	KSRCMTHVKBMNAJ-UDWIEESQSA-N	509.375	6.420	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)cc1	408798757	XAFKLSKFBPFVJS-YBFXNURJSA-N	555.812	6.022	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1c(C)ccc2ccccc12	408803986	BNBZRBKLHWBTOF-CIAFOILYSA-N	561.863	7.697	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccccc1F	408814197	QNTXTSUJWJXODG-SXGWCWSVSA-N	611.636	6.971	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)c(OC)cc1Cl	408827179	UVGKKHGHINPWKU-REZTVBANSA-N	558.374	6.052	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408833200	WOGWTDZGHLNLIF-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccccc1	408836120	ZIGNTMLSHBGMEZ-WPWMEQJKSA-N	553.058	7.751	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC(=O)O	408843898	GBOPKXSWFLEZHL-UHBFCERESA-N	562.420	5.451	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408848846	WKAVKYYFDOHVEH-XJECJHNESA-N	617.558	8.520	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccc(C(C)C)cc2)cc1	408861862	BJXBNLIEDZFFES-BIZUNTBRSA-N	579.719	5.185	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408863110	LBHBRAMHEKVSRC-HNSNBQBZSA-N	592.117	5.890	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccco1	408871871	YOHUBMGIUFJVEW-AUEPDCJTSA-N	606.585	5.485	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408872010	JAMUZZLVNVYIOG-KCSSXMTESA-N	594.089	5.739	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1ccccc1Br	408873322	SUKFJPMIOLBWCZ-YBFXNURJSA-N	544.674	7.310	50	40	KKGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(C)(=O)=O)cc1	408875044	IAGWFKRSDAGTIF-HRXXRIAWSA-N	624.941	5.004	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408881973	MQYAWGNWTORXCS-QCFMCPCVSA-N	562.670	6.392	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OC(=O)c1cccc(F)c1	408883664	VXNBLSPFKRREFA-LICLKQGHSA-N	542.304	5.204	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c(Br)c1	408893051	DWOOOAKZVYMVEI-LZYBPNLTSA-N	629.563	8.605	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408894903	LALXSSBSYBVBPL-RIYZIHGNSA-N	529.292	6.156	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccccc3)c2)c(Br)c1	408898048	JUNBVRKACKALSF-SFQUDFHCSA-N	576.266	5.833	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc(C)c1	408923475	IROMGJUOWWDQFY-XODNFHPESA-N	536.253	6.806	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408972285	QTZOEWBEXWXMRQ-BQPDDTRWSA-N	782.346	8.686	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)cc(Cl)c1OCc1ccccc1F	408973604	ZIRCHFQDVTYZAM-UDWIEESQSA-N	535.000	6.625	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1Cl	408985272	ANDLCGGDKMDLII-ZDLGFXPLSA-N	526.774	6.444	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1cccc(Br)c1	408994138	GLVPUGOTKLTAHK-LSCVHKIXSA-N	686.081	7.000	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccccc1	409001596	JHRUXGOZYQSWBR-DRQPSCMVSA-N	514.409	5.900	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1	409006487	OEKZZGVLSQKWLE-MRSHRHRLSA-N	603.675	6.582	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409012812	LBNFFUNAVVKYTH-FIBXFRIOSA-N	619.684	6.892	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1cc2cc(Cl)ccc2o1	409022097	DXVCPYVZNIBYHE-FXMZOFOKSA-N	674.635	6.777	50	40	KKGB	
C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1	409054447	GFDGSJACGDXZFN-XNTDXEJSSA-N	506.194	5.721	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)Cc2ccc(Cl)cc2Cl)cc1	409055623	COWFAODDJGJQKU-KVSWJAHQSA-N	559.302	5.950	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	409059754	OAVBCYFOKXBKLW-FJEPWZHXSA-N	580.465	5.047	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1	409121326	ZBNOKADMMICROV-WPWMEQJKSA-N	564.889	5.237	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(F)cc2)cc1OC	409146258	RVXUECMZZGFYAT-DPNNOFEESA-N	592.693	5.213	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Br)c(C)c1	409168028	KRHXKXGQJFTJSW-XKJRVUDJSA-N	608.276	5.179	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NCc1ccc(C(C)C)cc1	409170450	VSHXUMFEJRJGKY-VWJSQJICSA-N	599.913	5.318	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccccc2)c1	409218104	CRXANRJRKUFRKR-UHFFFAOYSA-N	586.398	5.413	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccccc1	409242123	MHQAEFPRTYXSMB-VYZAVGSRSA-N	552.368	5.353	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)ccc1OCc1ccccc1	409252024	BFGQTHBZGIIEAJ-KMUKQRDJSA-N	630.539	6.825	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(OCC)c2)ccc1OCc1ccccc1	409252029	RJFSFYYOVVWXCC-QJOVZPHJSA-N	616.114	6.806	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409312661	GFENFYIDKICBNZ-VQTJNVASSA-N	602.418	5.521	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409312667	GFMVWIBZZZBZDN-WOJBJXKFSA-N	636.863	6.174	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1OC	409324454	SWTZRNSAMPGFOQ-MBTHVWNTSA-N	515.379	5.729	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OCC	409324720	UQOSQQPCZJNMIC-UHBFCERESA-N	584.467	5.345	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OCC	409330457	ANPJLDUHVDQEDV-CNCDYAKUSA-N	679.793	6.918	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccco1	409369209	HYTWBUOYXKTNMS-AUEPDCJTSA-N	512.585	5.801	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2cccc3ccccc23)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409374003	WPNTUJORZDERLE-MNBJERMJSA-N	513.663	5.415	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1OC	409385103	HMGWLVDCYLEZQN-UYRXBGFRSA-N	505.958	5.310	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1	409387213	UVEHCRLJNHQOQY-RPPGKUMJSA-N	544.814	6.568	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1	409387881	XUOARIQZACUCEF-RWPZCVJISA-N	526.530	6.214	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409394750	FJTFJWLEWDYYGI-UHFFFAOYSA-N	685.294	8.362	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccccc1Cl	409395627	PZSMKFRJHZCIHM-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1	1083062	FVUBBDMQBLPQKX-UXHLAJHPSA-N	535.069	5.478	50	40	KKGB	
CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Oc3ccc([N+](=O)[O-])cc3)n2)cc1	6090112	PDFJXDKKJSZYTL-UHFFFAOYSA-N	511.559	6.292	50	40	KKGB	
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2c(-c3ccccc3)n(C)c3ccccc23)cc1	12643760	OEJRLCVFRKJJEF-YPIPDVCBSA-N	522.649	5.778	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	19940173	XPNBMLFRHFNCNU-LJAQVGFWSA-N	522.674	6.318	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)=C(C#N)[C@H]1c1ccco1	33357725	XLQNFYDQTWCNLT-VWLOTQADSA-N	617.749	6.165	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	67194249	VUTDLRKCYNPWSG-GARTUIPESA-N	502.083	6.940	50	40	KKGB	
Cn1c(=O)c([N+](=O)[O-])c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21	95670641	TZDIVYZIBWFGPL-UHFFFAOYSA-N	665.646	5.558	50	40	KKGB	
Cc1cc(/C=C(C#N)\C(O)=N\c2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1ccc(Br)cc1	97980280	BITVPDKOAQLPFW-YBEGLDIGSA-N	522.752	7.724	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2ccc(/C(C)=N/NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2)cc1	97980768	QXQWZDHDGLKMDU-ZCTHSVRISA-N	556.669	5.927	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cn1)C(n1cccc1)=C(C#N)[C@]21C(=O)Nc2ccccc21	98008319	WIQKGSGSYBXKPI-NDEPHWFRSA-N	540.421	5.391	50	40	KKGB	
ClC[C@H](Cl)Cn1c2ccc(I)cc2c2cc(I)ccc21	98048118	JAFWMDYJXFETSY-VIFPVBQESA-N	529.974	5.850	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292880	GYKNDDPGZULOSS-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@H]1c1ccc(C)cc1	102384384	PSHYACFJFNMWFJ-JGCGQSQUSA-N	585.729	7.490	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)N(CCN2C(=O)c3cccc4cccc(c34)C2=O)c2ccccc2OC)cc1	102944198	SQFAWXMVTLFHGH-FCDQGJHFSA-N	531.568	5.093	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(C)cc1	103883656	VJVZWCNVMPDKPW-JLPGSUDCSA-N	546.465	5.601	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	103896988	WYNDCEKLADCFOI-MWBNBJEGSA-N	616.061	6.592	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(I)cc2)c2ccccc12)c1nc2ccccc2[nH]1	107616978	ZNUMVVSGQQZKFE-QGOAFFKASA-N	500.343	6.235	50	40	KKGB	
CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341227	HSSFRBOPTUWKGT-RXMQYKEDSA-N	866.128	11.166	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342026	DLHAAKKQAUKKKO-REOHCLBHSA-N	842.037	10.293	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342202	ZUJSWTRXCSEHPZ-REOHCLBHSA-N	842.037	10.293	50	40	KKGB	
Cc1cccc(C)c1P(c1cccc2c1[C@]1(CCc3cccc(C4=N[C@H](Cc5ccccc5)CO4)c31)CC2)c1c(C)cccc1C	211324017	UNZRWTOGFLMTTE-UJNHCCGESA-N	619.789	8.245	50	40	KKGB	
COc1cc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1	408539489	WPEQYWCDXKTDNL-USHMODERSA-N	518.613	7.016	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542086	GWNMIEUHRGIJNG-ITYLOYPMSA-N	509.606	5.754	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1	408551130	BUEWRNXPPLDSQZ-ZRGSRPPYSA-N	521.198	5.537	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552632	KLKGWBYYIOOONZ-CHHVJCJISA-N	620.243	6.236	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408569500	OHNJRKSBISBMKG-CHHVJCJISA-N	700.087	7.317	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408609262	QSTFVGDRQICIRB-IPPBACCNSA-N	514.409	5.677	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccccc2)cc1	408646865	JALUXOPZJNTVGN-PTGATOOUSA-N	749.239	6.231	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)cc1	408659583	VZCIQBGGPUGFPE-GMQJPKHYSA-N	799.321	6.088	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	408711745	IPZUVUFEESOCBX-MWLSYYOVSA-N	545.861	6.172	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	408727140	OSSYVZXMFAKESS-AJBULDERSA-N	543.645	5.004	50	40	KKGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc(Cl)c1Cl)OCc1ccccc1	408736683	FJGAHFDMQOBQSL-QMBVZLLKSA-N	509.393	5.463	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(I)cc1	408745958	BLEWUWHPQWLIOX-HMAPJEAMSA-N	538.385	5.492	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1cccc2ccccc12	408752631	FQEFWRMUHVXKBN-OCSSWDANSA-N	533.422	6.353	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)cc1	408753559	JLZYGVLFWJRSHN-NDENLUEZSA-N	586.711	7.718	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408753737	BZVPNQZBYHBKJJ-WJDWOHSUSA-N	651.289	5.832	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl	408757849	DGYOWBZOMJFPQF-GXDHUFHOSA-N	597.230	5.977	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1I	408772166	DQGZYWLGFSMYDP-SXGWCWSVSA-N	614.221	5.793	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408793170	DITPJGZYBPNCHQ-RQZCQDPDSA-N	542.773	6.144	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408794532	JLEKPBKPODQHTL-FYJGNVAPSA-N	505.958	6.334	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1	408795807	NDYOUYJSQCUFLK-DEDYPNTBSA-N	523.358	5.890	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408798276	VMGRDFWOGDWZFW-KEBDBYFISA-N	536.382	6.107	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408798592	VXAKKVUDWXYWTO-GIDUJCDVSA-N	601.111	8.196	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408799619	ZXHOLPYZEKTQHE-LPYMAVHISA-N	549.421	6.068	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1cccc(Cl)c1	408800434	PIYJQOFRSZEQCU-YBFXNURJSA-N	541.829	6.634	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c1Cl	408818063	OVNRQVZZSXQSPY-FJEPWZHXSA-N	539.419	6.678	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1Cl	408820676	XZPOCODOECERCD-NSKAYECMSA-N	515.180	6.577	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408835748	YFRDYWNNOMCZQF-JVWAILMASA-N	692.981	8.664	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2sc3ccccc3c2Cl)cc1	408838246	CYFVANKLKFAWTO-ZISVIYDVSA-N	658.961	7.952	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839263	PQXPTZDZIMBDFD-LUOAPIJWSA-N	700.727	6.886	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC#N	408842268	IQWFSIUPRMUEID-OCSSWDANSA-N	511.607	5.927	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)c4cccc(C(F)(F)F)c4)c3C)sc3c2CCCC3)cc1	408847095	PDYGVKMCTPZBPD-JLPGSUDCSA-N	559.657	8.678	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1cccc(F)c1	408847650	TZLVYTKTAJHDKP-XJECJHNESA-N	645.554	8.115	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(Br)cc1OCc1ccccc1Cl	408848082	PJUYYAUBMMTZRN-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408849477	ZAYPHUMFQMCYBP-AMVVHIIESA-N	613.921	6.675	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408855179	DAYYBADBQQEEQD-OJYCWLPVSA-N	639.506	7.475	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408860529	XPSCGBWPNJUOBH-SCRDLHCBSA-N	526.829	5.210	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1	408862022	HJWGRGKCXOPOPL-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc(C(C)(C)C)c1O	408884629	URDVIOKXDDYOFA-FABQOPTDSA-N	555.546	7.956	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Br)cc1	408886006	CQFMFFVYJBNZHA-RQZCQDPDSA-N	591.245	7.187	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cccc(I)c1	408888893	CLDCYSPUZDWAPI-KBKYJPHKSA-N	604.069	6.703	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1Br	408890926	IMZFMROZSZVPLV-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccc(I)cc1	408892591	CEHDLDUFAMLQMD-MHWRWJLKSA-N	563.178	6.363	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2ccc(C)c(C)c2)cc1	408894473	QPDURPOMCDMYST-OCSSWDANSA-N	550.084	5.105	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OC(=O)c1ccc(OC)cc1	408895393	MQOTZCXZYVZXBK-MZJWZYIUSA-N	578.790	5.335	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904106	DWHMYCJGTWIXHD-BCHBDCPOSA-N	607.642	6.862	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408943672	UKPHBPKNIMBCQT-HNSNBQBZSA-N	592.117	5.577	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1Cl	408954712	ZOCFTCCJOXIMFT-NDEPHWFRSA-N	672.001	5.567	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	408962914	VZWQYWTWZXNDBD-ZVBGSRNCSA-N	511.126	5.029	50	40	KKGB	
COc1cc(/C=N/NC(C)=O)cc(I)c1OCCOc1ccc(C2CCCCC2)cc1	408972626	PZXKHWLZTKJZQJ-WGOQTCKBSA-N	536.410	5.275	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1ccc(Cl)cc1Cl	408973917	CPRUVGBRPUNCCO-JYAVRDJASA-N	587.285	6.462	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1Cl	408983669	NHTBFXULORIERC-IUXPMGMMSA-N	516.768	6.988	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccco1	408996552	ISFYTUCSKGOJRI-WKULSOCRSA-N	522.344	5.822	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1cc2cc(Br)cc(I)c2o1	409020147	MGVPKMXXLUMFNS-FOKLQQMPSA-N	567.202	6.308	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCc1ccc(I)cc1	409024419	SBTVMZVVTNQCBM-UHBFCERESA-N	581.410	5.346	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)c3ccc(C)cc3)cc2)cc1	409040677	TZZQCLLRBDSHFJ-LVZFUZTISA-N	533.584	5.249	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1cccc(Cl)c1	409051726	FXSZFQCBTHEBIN-XODNFHPESA-N	583.253	6.648	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409066619	BCPADOPSQLZFPU-FYJGNVAPSA-N	537.494	6.475	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(F)cc2)cc1OC	409111640	BSJMNUPREMRNSD-MHDJOFBISA-N	633.529	5.903	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409142672	FMCFWBHTDRYUML-KCSSXMTESA-N	626.960	6.023	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)c(C)c2)cc1	409151693	IPRYCKMJUGRXGP-OCSSWDANSA-N	581.467	5.043	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1	409160522	QWSLUNDVCUJIDI-PNQUVVCRSA-N	597.775	5.228	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)c(OCC)c1	409175514	RZWHPLSIMCKTTR-ROPCREHHSA-N	651.436	5.372	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1	409212041	PGSAFMCEOLSZIE-ODLFYWEKSA-N	512.303	5.851	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c2)c1	409219566	NXVKHVSGFLNLHN-UHFFFAOYSA-N	714.208	7.518	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccccc3)c2)cc1OCC	409220127	UOZZCAFWCIFMCZ-SYQOBUFGSA-N	577.637	6.119	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409220169	VCSHVHNIVVEWNW-GZTJUZNOSA-N	526.376	5.661	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409226042	RMGPZOYCTGCLBF-XDHOZWIPSA-N	567.383	5.171	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409227047	XFJITTGOGLQKDV-WOJGMQOQSA-N	601.828	5.825	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409253754	BZRNDAJRNFHGIY-WOJGMQOQSA-N	556.800	6.491	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409257232	ROWFVUOVDLYBJM-DHDCSXOGSA-N	624.116	7.082	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)cc1	409267051	RVDWUQWRQCMYQJ-SQBGJFPKSA-N	506.002	5.129	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Br)cc1Cl	409268150	QQDKCFAEPBJTIO-BCHBDCPOSA-N	624.673	5.863	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409269683	LPLALERTBXRPLP-NDENLUEZSA-N	629.882	6.523	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409273356	XQEFSOZVULSILM-LPYMAVHISA-N	609.464	6.178	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OCC)c2)cc1OCC	409322602	KXUXYXCUKJFSEE-LJUMEUDFSA-N	618.443	6.135	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccccc1Cl	409325127	XAIUNPGFHWRIIZ-HMAPJEAMSA-N	518.838	8.298	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1	409376761	CUHQJFDYNGUOMC-ZMFRSBBQSA-N	561.230	5.002	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)ccc1OCc1ccc(I)cc1	409391180	HOZNZVCEKNJRPZ-UNOMPAQXSA-N	551.384	6.218	50	40	KKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1C	409410625	YUIUFZRILZAWTR-HQDYHJHZSA-N	564.642	6.444	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1	1529547237	JTBNOBNUYOIUJQ-KZMIEDSXSA-N	681.609	5.230	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccccc3)cc2)c1C	1529548869	XLKDINVMGWWASS-OEUHSVQQSA-N	651.789	5.558	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCc1ccc(Br)cc1	1529548918	QDJOFWHDMIFUJQ-CKRMDNAKSA-N	793.478	5.526	50	40	KKGB	
CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl	2295188	PPBPELAZFUXUHV-PMACEKPBSA-N	538.840	5.147	50	40	KKGB	
Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(Cc3cccc4ccccc34)c3ccccc31)C(C#N)=C(N)O2	2406951	YRQOUIVUAUKTFZ-YTTGMZPUSA-N	509.569	5.253	50	40	KKGB	
O=C(NNC(=O)c1cccc(OC(F)(F)C(F)F)c1)c1ccc(COc2cc(Cl)ccc2Cl)cc1	2755517	UWZQNOTUVYUPJW-UHFFFAOYSA-N	531.289	5.884	50	40	KKGB	
Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c1Cc1c(C)cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C	4015964	OHXXXMUZDDXCOC-FZNHDDJXSA-N	684.881	8.030	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)cc1	6074279	UPUWTKDKDQECKN-IOEWWAGXSA-N	581.507	6.904	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C[C@@H]([C@@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1	8449823	KTXWRLRHUGGPSV-DWIKVQACSA-N	505.206	5.070	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OC(C)C)c(OCC)c2)cc1	20198053	RYHGGVAFUHRXPL-ZVHZXABRSA-N	510.372	5.030	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl	33959755	GJNQZCHSTLZEKA-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1cccc(C)c1	59500517	DJCRLWMTVQXMJG-RGXNXFOYSA-N	521.573	5.629	50	40	KKGB	
CCCC(C)(C)OOC(C)(C)C#C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	70697336	MQGVLLQFFLTSOQ-AAYHEZJSSA-N	558.800	7.572	50	40	KKGB	biogenic
CC(C)N1C(=O)/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C2/C(=O)N(C(C)C)c3ccc(Cl)cc32)c2cc(Cl)ccc21	97959605	MRVQHTABJZDSOV-UDEUAJILSA-N	641.600	5.965	50	40	KKGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	97961077	GOBMYBXTHZKKBO-ORBVJSQLSA-N	619.068	6.406	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(c3nc4ccccc4s3)=C(c3ccccc3)N2)c(C)c1	97984531	VIZIQASFQCTADW-WJOKGBTCSA-N	619.215	8.929	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)N1	97999902	MUNXQRYVRANVCJ-MGBGTMOVSA-N	622.146	7.944	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1C	100124622	VDOYNBFUUAWUGN-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)cc1Cl	103885016	RLJBTWPVJQQAQO-NSIKDUERSA-N	531.177	5.181	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)ccc1OCc1ccccc1	103898312	XCEQNUJPNJFUTK-IBBHUPRXSA-N	584.016	5.253	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1Br	104401919	DGADPYXFHUKUFF-OPEKNORGSA-N	612.072	6.225	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342295	OJVPUPIRVSKDQW-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)cc2)cc1	150387052	NRBXCXLGFXCICQ-ZXSNDDASSA-N	663.594	5.159	50	40	KKGB	
CC(C)(CN1CCCCC1)C(/C=C\c1ccc(Cl)c(Cl)c1)=N\NC(=O)N/N=C(/C=C\c1ccc(Cl)c(Cl)c1)C(C)(C)CN1CCCCC1	150443484	AOKCOMHWNQKAIN-JIRYUTIXSA-N	734.644	10.062	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	164319681	XMRXLSNYKVZNBV-OYKKKHCWSA-N	723.352	7.375	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)F	169795467	PIVOJTGCVXEFSI-OALUTQOASA-N	656.315	10.350	50	40	KKGB	
COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)c(OC)c2)ccc1O[Si](C)(C)C(C)(C)C	206566981	YTANFSVGWHEWKY-MVRVVBEHSA-N	596.913	9.209	50	40	KKGB	in-vitro
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc21	208458244	ZFKDBCNQIFXNOH-OPEKNORGSA-N	521.253	5.621	50	40	KKGB	
CCCCCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408538939	RTNGFZXEXQGHAY-ATZGPIRCSA-N	601.987	9.237	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccccc1Cl	408543276	PZPXJCJAJHTZQN-JAIQZWGSSA-N	512.787	6.843	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccccc1Cl	408568435	UFCMRAWAVUSOSW-PXNMLYILSA-N	559.766	6.612	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1	408637697	NBUPFXFZIAHOOC-RBISFHTESA-N	545.994	6.548	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408644282	QVDXOBHTLSZEEL-ZCQNZVIGSA-N	737.228	6.375	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408646176	TWJCEJLGIMSXQN-LWSSLDFYSA-N	782.225	6.283	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc([N+](=O)[O-])c1OCc1ccccc1	408738959	XIYRIEKJDLXNCH-BMRPRGCTSA-N	594.668	5.605	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(Cl)c1	408742044	ULICBOYRAGSHPP-RWPZCVJISA-N	533.928	6.120	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1	408744331	DYVCRMGOVRCSCI-YVLHZVERSA-N	762.123	6.634	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2I)c1	408745367	MIVZATZTTIPJMI-ZDLGFXPLSA-N	607.673	7.140	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	408745657	OCYADMTUARUYRH-DHDCSXOGSA-N	569.324	5.621	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)ccc1I	408747470	OJRRVLAGOZNWBY-BHGWPJFGSA-N	552.756	5.033	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1ccc(I)cc1	408769684	ZDEMYWRQPGSAHE-GATIEOLUSA-N	631.106	5.753	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1	408787093	RBLVHBALTCORPJ-WJDWOHSUSA-N	531.874	7.004	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408788619	LPPVPAKRGATARH-WSDLNYQXSA-N	564.810	7.222	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1cccc(C)c1	408792710	CBIHMDYLWYBOKS-WSDLNYQXSA-N	552.412	6.350	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(I)cc1	408794292	HYTXOGUHMJCAMO-LZYBPNLTSA-N	658.117	7.494	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798771	XDARHCOOZIVWKK-BUVRLJJBSA-N	539.975	6.952	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1	408806047	AIXFFCCNKRASPR-JMIUGGIZSA-N	525.374	5.408	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1Br	408829215	OTBRQWMJUMHOOS-MZJWZYIUSA-N	584.323	5.168	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccccc1	408835035	XTXDBFCSUHOCRF-WGOQTCKBSA-N	630.482	7.312	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838979	LEHJGVMEALYMJX-PTEHHBOZSA-N	686.846	9.619	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1	408847934	VXLITDPZUAVHQI-STBIYBPSSA-N	546.377	5.206	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1	408849170	YYYLGMNLYHAWMA-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N	408850892	FQYPBGDPQAEZGB-LNAIUKMGSA-N	524.831	6.054	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2C)c(Br)cc1OCc1ccc(Br)cc1	408852367	JZCPFLZKDYSXTJ-YBFXNURJSA-N	649.177	7.806	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408856026	IMPMXHFOGGYZDR-JLPGSUDCSA-N	560.075	6.487	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2cccc(Br)c2)cc1	408857202	JXPZOLWTSBKCLK-KCSSXMTESA-N	626.960	6.336	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)c1	408862318	YBAIKZLDRVOAGJ-MUFRIFMGSA-N	542.444	5.907	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1c(C)ccc2ccccc12	408865408	CICVUXUAVRGDPE-VCHYOVAHSA-N	512.347	5.123	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	408868904	QOBGSEBTQRADDT-KLPHOBTLSA-N	645.366	6.963	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1Cc1cccc(F)c1	408870950	YASWBJULPWEVSS-GIJQJNRQSA-N	594.346	6.984	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1cccc2ccccc12	408884955	ZJOROYKZAAQTSL-OEAKJJBVSA-N	618.427	6.666	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OS(=O)(=O)c1ccccc1	408890231	QCRDLSBQKARAEI-SFQUDFHCSA-N	608.841	5.657	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408890436	TVHJRSZECBRQQF-KKMKTNMSSA-N	567.223	6.406	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)c(Br)c1	408895465	MXXIJBXRYDRREW-LDADJPATSA-N	544.218	6.784	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408898987	YWDPYLUNXJIZOQ-CXUHLZMHSA-N	547.192	6.789	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccccc1Cl	408904407	JAPGDRIUBVGBIQ-PPDIBHTLSA-N	537.241	6.808	50	40	KKGB	
COc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1OCc1ccc(Br)cc1	408912621	OFFUOCOEGLPEJF-LGJNPRDNSA-N	503.780	5.219	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cc2)c([N+](=O)[O-])c1	408922146	DLYDYYBPMPDSEL-VFCFBJKWSA-N	647.647	7.645	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(OCC)c1	408943176	HDVKQLVXIXJGFB-MGBGTMOVSA-N	687.218	6.356	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)c(I)c1	408944196	ISIJETHSAPBPSS-NDEPHWFRSA-N	719.001	5.409	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408966210	KMIPEENXZHGUHJ-OKCVXOCRSA-N	502.502	5.076	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408969029	GAHQIQMDUNCJLA-HFGUYIIHSA-N	556.490	5.673	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c2ccccc2)cc1	408981246	VNRCMAXNLOIMFM-FNLZXBKISA-N	567.023	5.377	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	408983571	MKLCYAUFILTQRK-MFOYZWKCSA-N	672.663	7.121	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1	408986283	PKNCIAJMCHAEBG-UZWMFBFFSA-N	563.123	5.440	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	409001967	RLLXXECUOBHNAA-UHFFFAOYSA-N	753.762	6.998	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1ccc(Cl)cc1	409009896	AKDSOEKCSFZRDL-PNQUVVCRSA-N	688.143	7.848	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409017239	FIYFKFMGAUOASD-CLHYIUPASA-N	616.158	6.753	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1ccc2c3c(cccc13)CC2)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028508	OGXMIDKPIXDXDA-PAYBXDNHSA-N	513.619	5.036	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1cccc(F)c1	409029368	ACFOQLNWBUFQML-ALQBTCKLSA-N	566.658	7.434	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(F)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409042998	YUJKDBTUXCMKIO-AABVJFSESA-N	591.495	8.343	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)C(=O)Nc1ccc(O)cc1	409047625	OWBXZCXVGCGUMT-CXUHLZMHSA-N	546.190	6.181	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1	409081423	PAPBFYCTCNWDIL-OVCLIPMQSA-N	669.204	7.263	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1	409114121	IUIKQUDSHHJTPA-DXJNIWACSA-N	576.594	6.542	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	409141425	NTOHZYGSSLMGEK-STBIYBPSSA-N	556.526	5.396	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(Cl)c2C)c(OCC)c1	409168163	KWTHIOZHGYLUAF-IBBHUPRXSA-N	631.911	5.315	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(Br)c3)cc2c1	409183305	APNOSSQIOKIILD-NUJZUDFISA-N	541.829	6.899	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1I	409219005	ZMHCAFUNHCWOTD-KVSWJAHQSA-N	687.728	6.242	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409221941	BSNPTOTUUXPGKL-SRIXRRJNSA-N	579.525	5.138	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccc(Cl)cc3)c2)c1	409223805	IDFCSAICDQGNMV-HBCFEJOTSA-N	538.003	6.283	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)ccc1OCc1ccccc1	409246980	AHPMRRGZLHWFOD-KMUKQRDJSA-N	630.539	6.825	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl	409255202	KTYYSFDCKXDSNQ-LFIBNONCSA-N	545.220	6.319	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409256847	NUYBJGJCKUJHBV-NHDPSOOVSA-N	643.909	6.832	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409257275	PSOHDPFBSBIAMK-GZOMZLSJSA-N	759.670	8.264	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409257737	PWYVRKTVLPOAMM-CXUHLZMHSA-N	502.741	6.637	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409258203	WYHYGPLUGFUKEU-YBFXNURJSA-N	554.828	5.352	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409259693	CQGFAKYGGMNDCM-YDZHTSKRSA-N	518.013	5.596	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	409261195	BUGWVURAWHBBJV-LQKURTRISA-N	528.834	5.941	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409261543	DNOIYZSBOCAVSR-QJOVZPHJSA-N	619.747	7.351	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409272246	YAYYDUMVPGDOPZ-ODLFYWEKSA-N	615.855	6.133	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1OC	409311599	BFUGFKGOOBWCAX-FXMZOFOKSA-N	528.219	6.660	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OCC	409311914	CVPORBLSHNDDEA-BVMLUPFRSA-N	563.865	6.962	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)ccc1OCc1ccccc1	409312676	GIBGPEZCGICYJX-FZPRHHONSA-N	619.468	6.086	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1cccc(Br)c1	409316569	YSFWOPHGMKWEIC-VXKWHMMOSA-N	507.409	5.273	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1OCC	409316885	MXLCDNDHBXJOON-YKQZZPSBSA-N	511.018	6.269	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)cc1OCC	409322892	LXDDEOLZLCYGCR-UHBFCERESA-N	631.321	5.957	50	40	KKGB	
CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Br	409323677	PBBWRAYUMZODHS-MBTHVWNTSA-N	576.285	6.352	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	409337641	WYUMAQVZTYYWAQ-BCHBDCPOSA-N	601.280	5.909	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OCc1ccccc1Cl	409347090	ODZPRQRDQRQFNF-VFLNYLIXSA-N	642.719	6.247	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)Cc2ccc(Cl)cc2Cl)cc1	409369501	PGIQMWKDRNXPGJ-KKMKTNMSSA-N	569.854	5.205	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)c1	409395080	JOUPTQYNUCCASW-UHFFFAOYSA-N	677.349	7.360	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)cc1	409396011	VFHNHVUPFYITNI-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1OCC	409396699	AFUIIOMBWFPNFW-UHFFFAOYSA-N	582.056	7.269	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397223	HNSYERNADXUFRH-UHFFFAOYSA-N	580.084	7.741	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397619	LYRRFIINZSLONC-UHFFFAOYSA-N	636.886	7.234	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(C)cccc2c1-c1ccccc1	409397998	PZVLRCVFCSTYSI-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
COC(=O)COc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1[N+](=O)[O-]	409400430	DCNSRWOGYBDFIF-CPDSRJINSA-N	625.432	5.253	50	40	KKGB	
CO[C@@H]1[C@H](C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](CC=O)[C@H]1CS(=O)(=O)c1ccc(C)cc1	504772244	KOLNCCOWEPGLNP-NWWWPDLMSA-N	614.994	6.559	50	40	KKGB	
Cc1ccc(Cc2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1	675082980	SPZAKODVEBWFOA-UHFFFAOYSA-N	542.662	9.317	50	40	KKGB	
COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2cc(Br)ccc2OCc2ccccc2)C(C#N)=C(N)O3)c1	987181	OXXKDNQAZFUWKI-XMMPIXPASA-N	559.420	5.654	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3cc(C(F)(F)F)ccc3Cl)C3=C2C(=O)CCC3)cc1OC	1058568	YKWYIJKNTLDCBS-QFIPXVFZSA-N	503.908	5.681	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	1767620	LUBJQOQOXUJQOI-SFQUDFHCSA-N	535.379	6.210	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccc(Br)cc1	3084135	GEKQHHFMDWFQFA-UVHMKAGCSA-N	530.806	5.087	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1	3117541	JEOXQIIYIRUZDR-UVHMKAGCSA-N	585.307	5.419	50	40	KKGB	
COc1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	4045298	LXVFCPQOZQMSBZ-PNBSKESLSA-N	511.987	6.550	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)CCC3)cc1COc1cccc(C)c1C	8399388	WPSGIVLRAVRQLL-SSEXGKCCSA-N	585.060	6.757	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3O)nnc2-c2ccc(Cl)cc2)cc1	9836752	GMYDHGIOEKTORE-OGLMXYFKSA-N	522.030	5.325	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccc(I)cc1	10118660	CXYFRVIRVRVOOH-JVWAILMASA-N	506.343	5.787	50	40	KKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	15945093	XSLCAMPVVCGIBH-KOGNSTDNSA-N	522.270	6.937	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCc1ccccc1Cl	58980080	HXGNBLHDRFRNEY-OCSSWDANSA-N	517.969	5.927	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCc1cccnc1	97946325	AGOWGEKIWPTHQU-YZSQISJMSA-N	546.030	6.390	50	40	KKGB	
CCOC(=O)c1c(NC(=O)C(Cl)Cl)sc2c1[C@]1(C)CC[C@H]3c4ccc(OC)cc4CC[C@@H]3[C@@H]1C2	97972012	RLXPMEFDXSZYBY-INMKFMJYSA-N	522.494	6.246	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1	100189534	JKOZOCWQJCVZHA-STBIYBPSSA-N	547.508	5.570	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1	100221119	ZQXCKZOKZYWFRK-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccccc1F	100253217	LOUIYHDWHKLJKA-KKMKTNMSSA-N	542.317	5.594	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl	100336476	DNQNRMZKFWNCEW-YVLHZVERSA-N	579.221	6.731	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2nc3ccccc3s2)N1	100892203	KVQQKTXYVHTGLM-XMMPIXPASA-N	595.628	6.615	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl	101305225	NRQAAYAVYJNHEA-RUZDIDTESA-N	530.049	6.108	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1	104580039	GQAORDAAEIYLPD-MZJWZYIUSA-N	526.039	5.810	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(F)cc1	104580790	XXDXCGYZKYIQAT-XKJRVUDJSA-N	525.296	5.959	50	40	KKGB	
CCOc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1	104698619	QLYJNIPFOYFRTK-UHFFFAOYSA-N	548.149	6.711	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	150427384	QVVXCAHMZWELLE-FXMZOFOKSA-N	649.992	7.553	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1	150427401	WBCRPCDLRYDWJE-ZMFRSBBQSA-N	675.102	5.930	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1	207054544	MJDOZUUWSJWFIU-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(I)c2)c2ccc(C)cc2)cc1Br	211029348	XRILTGNLVTWKNQ-WPWMEQJKSA-N	656.340	5.106	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(I)cc1	216048448	VBBCYPPKPQKACK-LQKURTRISA-N	542.417	5.579	50	40	KKGB	
CCN1c2ccc(/C=N\NC(=O)c3ccc(I)c(OC)c3)cc2[C@@H](C)CC1(C)C	223529946	YCMBWALJPNVGLA-XFRWHIHTSA-N	505.400	5.176	50	40	KKGB	
CCOC(=O)CCC(=O)[C@H](Br)[C@H](Br)[C@@H](Br)[C@@H](Br)c1ccccc1	226324853	MEGLECGKMOXAKM-VGWMRTNUSA-N	577.933	5.326	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c(C(=O)OCC)c1C	408547197	URAXURNQTRIIEO-YBFXNURJSA-N	557.043	6.329	50	40	KKGB	
Cc1c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc2n1Cc1ccccc1	408568364	JDJOWYWWXLWMOF-STBIYBPSSA-N	501.677	6.006	50	40	KKGB	
Cc1c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc2n1Cc1ccccc1F	408570531	WKVMCTUVEFJLIJ-OKCVXOCRSA-N	519.667	6.145	50	40	KKGB	
O=C(NNc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1	408610918	VBVNNAOHVCFEIC-MRXNPFEDSA-N	549.252	5.831	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408649523	LCPPCROOCAJJHR-ZTTYKKJNSA-N	742.333	5.313	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408688660	WLIMODLAEGKPTN-MHORFTMASA-N	633.562	5.582	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	408711659	DGBMDSFWRTWSOE-MUFRIFMGSA-N	545.861	6.172	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408746439	ZFYCKEFKMVWJLC-UCQKPKSFSA-N	606.314	7.888	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1	408762308	ANSANSAGYPGFGR-MHWRWJLKSA-N	500.769	6.210	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1	408789587	KISFWHGVQMYTAY-FYJGNVAPSA-N	594.418	6.057	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408790419	WBQOJMPAVNTMCX-RGVLZGJSSA-N	675.273	6.053	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793443	OTQRKQKDLLVGKI-XHLNEMQHSA-N	510.593	7.543	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)c1C	408795447	LFMNDKHQGWFPFJ-KEBDBYFISA-N	584.264	6.651	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1	408795899	NOQDGNDFOGJWTJ-RGVLZGJSSA-N	553.384	5.898	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccccc1C#N	408799044	XUPUVTFWKBQKPC-SSDVNMTOSA-N	516.395	6.071	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1Cl	408806593	AINGNXCWIRGOPK-KBVAKVRCSA-N	552.414	5.893	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	408809203	KQZDZLBTKSGIMY-YBFXNURJSA-N	508.836	7.812	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408829580	KDJCVAAQZHPJRF-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(C)cc2C)cc1	408842038	NMRNTIXLULEKLD-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1F	408843922	HNVNKKILDZEOIW-IWIPYMOSSA-N	558.451	6.643	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408848567	XFFYZRGXQIODEO-XZYGTATASA-N	612.107	7.497	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1cccc(F)c1	408853778	RVMRPROMAJXEDN-MNDYBZJGSA-N	537.385	6.414	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)cc1	408857012	JDZOYGOOZJJQJT-XAZZYMPDSA-N	543.489	5.378	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)cc2)cc1	408857546	KNXSDCNRPYFYGN-QCFMCPCVSA-N	532.688	5.656	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1	408876702	QDEDPEMWDZDVPD-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Cc1ccccc1Br	408878853	COWNZHFLZQPMHE-WOJGMQOQSA-N	530.249	7.291	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1Cc1ccccc1F	408879713	CPBXBIXXIFASQN-CIAFOILYSA-N	554.403	6.582	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)c1OCc1ccc(Cl)c(Cl)c1	408880356	HMJFPTBFRUMGNX-GZTJUZNOSA-N	625.144	7.960	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)S(=O)(=O)c1ccc(C)cc1	408891681	BCPIOBBDXZDZNK-UXHLAJHPSA-N	550.084	5.051	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2OC)cc1	408892291	AJZNLUQAWWFWRS-WOJGMQOQSA-N	566.364	5.448	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408893081	FIAMBZJEGOUHDA-LUOAPIJWSA-N	703.727	6.512	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1	408895579	LIWAMWCUTFODGI-FRKPEAEDSA-N	532.767	6.688	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCc1ccc(F)cc1	408925444	TVUYVWGDLQVMPF-RPPGKUMJSA-N	538.744	5.435	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408946676	AVBPXYNXVJWBKP-OCKHKDLRSA-N	648.182	7.845	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1F	408948644	PQUYWUMPUOMSQJ-MHZLTWQESA-N	828.442	5.499	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc(F)c1	408955217	UARHHBHLHPQUND-NHDPSOOVSA-N	503.961	5.814	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)c(OC)c1	408957395	UHQFQACNGHLZAT-CBRUVPLOSA-N	731.600	5.919	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	408969576	QHDFXTVOABMHDE-QEYCUUATSA-N	608.478	5.685	50	40	KKGB	
O=C(COc1ccccc1Cl)N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	408995296	LUWRYGLDSPOVBP-UCMJSZAQSA-N	551.002	6.902	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409001717	QTUGLDIAYMXDEH-YKQZZPSBSA-N	516.439	6.128	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)Cc2ccc(Br)cc2)cc1	409011911	PCCZRXJERGXPCA-LQKURTRISA-N	542.499	5.222	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1ccccc1C#N	409053071	JVVBHODGSLUGKK-XODNFHPESA-N	559.791	5.476	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409060241	ZYUGZHJAXXYQLA-WCMJOSRZSA-N	612.963	6.176	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OS(=O)(=O)c1ccccc1	409074062	JXRIGHGFQWDRTA-LFIBNONCSA-N	511.353	5.431	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409074950	OYXSMCYXEWYKTQ-CIAFOILYSA-N	575.414	8.264	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409111111	BRWQERKLQJYVTP-CVKSISIWSA-N	502.061	5.024	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl	409118431	ZRUPMJWJQJFPFR-XJECJHNESA-N	661.007	7.197	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1)S(C)(=O)=O	409120065	UVDNIXPMBFRXME-HNSNBQBZSA-N	605.116	5.396	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409154089	NTFZCKNCWFWVCS-VVEOGCPPSA-N	685.302	5.112	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)NC1CCCC1	409191526	YEYDMJZFNOSQCV-MTJSOVHGSA-N	554.282	6.910	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409195104	TUPLKSZDHBCWNU-XODNFHPESA-N	595.796	5.264	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409201158	KCUIKAJEFIUXJI-MFOYZWKCSA-N	653.170	6.355	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409210826	MQELHJCPQIPPLB-MFOYZWKCSA-N	595.618	7.258	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1cccc(F)c1	409213062	ODWANWBLVKTQCI-KKMKTNMSSA-N	537.838	6.072	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409222137	BOZCIAOCFUBFFN-UHFFFAOYSA-N	586.000	5.703	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	409222315	CIQRZFKRQFLTLN-LFIBNONCSA-N	500.769	6.210	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409224215	KFQGLDIIQOXTKW-UHFFFAOYSA-N	531.952	5.567	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OC(=O)/C=C/c2ccccc2)c1	409225355	PEWQKZWSDFWJOR-HBCFEJOTSA-N	554.002	5.984	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409271184	KGYABLXSUOXFDB-GZTJUZNOSA-N	512.747	6.092	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3CC)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409313622	QETVDQBRMOVPRS-FCHUYYIVSA-N	562.475	5.064	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	409323095	NBJAYIUYRATSIR-OKCVXOCRSA-N	676.292	6.329	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1	409325972	DVUPWDRYIWZVJI-OHUYPAJKSA-N	558.034	6.017	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409327501	UQMCKPPQEBEKTB-SFTDATJTSA-N	582.893	5.464	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	409366125	SRRWXVSJFAIUGT-KPGMTVGESA-N	566.883	6.796	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1ccccc1Cl	409373862	VPMVDRLRQLECSM-WCMJOSRZSA-N	567.867	7.006	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(I)cc1	409374484	QWXNEQSLHAFNRF-ZDLGFXPLSA-N	647.254	6.732	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(I)cc1	409391717	JPPACXMOBUEBOO-NVMNQCDNSA-N	519.741	6.735	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409394736	FGGVNLSSFOOUJS-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccccc1	409395766	RMMKIMLMHYSBGF-UHFFFAOYSA-N	730.638	8.759	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)[nH]c12	409396325	XRJPEGVAYXAXOH-UHFFFAOYSA-N	714.241	9.212	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(C)=O	409397491	KKSALILURGJXHN-UHFFFAOYSA-N	582.012	6.405	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397853	ORFFTDXLVXUIES-UHFFFAOYSA-N	611.626	6.382	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(CC(=O)Nc4cccc(F)c4)c4ccccc34)o2)cc1	409400207	CAWBMAMLHQBPHA-KWQVAVEISA-N	617.681	7.071	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC#N	409403948	OSJWGNJVQPPRCM-UHFFFAOYSA-N	577.435	5.704	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409410414	WTAYPWHBJMKNNH-QXUDOOCXSA-N	563.610	6.258	50	40	KKGB	
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1	820924939	MLRLOIWXHCPWFF-MEEYNGGZSA-N	751.431	5.637	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1	656809	LLZZDNFFKJUNQB-VULFUBBASA-N	512.360	5.010	50	40	KKGB	
Cc1c(C)c2c(c(C)c1NC(=O)CI)CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2	5440603	KDVXZSHPUSXFLF-LWPQGVMLSA-N	597.666	9.508	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCC)cc3)cc2)sc(C)c1C	6167398	KEIBLAGVNHIAKL-IUUQDGFPSA-N	537.638	5.110	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(I)c1OCCOc1ccc(Br)cc1	8408122	XQDKUKGHMOWUFY-JFLMPSFJSA-N	610.246	5.069	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	9553686	HVLZGIYYUCQMIM-MIYUFVMNSA-N	518.617	5.253	50	40	KKGB	
CCc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(OCc4ccc(Cl)cc4)cc3)CC(=O)N2C1	12251091	PUJIRSNRMPGFIS-VWLOTQADSA-N	516.066	6.701	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1OCc1cccc2ccccc12	12566942	LISPQSMHAYMIKJ-KGENOOAVSA-N	513.937	6.535	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	58914931	UQQPSAWRJZZJCV-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1	59292046	STJXSTALLLVYMO-XDHOZWIPSA-N	500.904	6.882	50	40	KKGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1	83301777	ISWKQVMKOICSJJ-OOHCFEELSA-N	501.410	5.935	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1c(F)cc(O)cc1-c1cc(O)cc(F)c1P(=O)(c1ccccc1)c1ccccc1	95611976	SYVSYPVFRWYXKJ-UHFFFAOYSA-N	622.544	6.322	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	97951854	UXBKHXOCSMYJSO-VWLOTQADSA-N	537.016	6.087	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1ccc(Cl)cc1Cl	97960866	UOWSCESVRNJBKK-AAPHRLRXSA-N	589.273	6.421	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(I)c2)cc1)c1nc2ccccc2[nH]1	97962135	BPIASNADKZOPIM-SFQUDFHCSA-N	520.330	5.249	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	98048650	YPEISCIVHAKTFQ-RUZDIDTESA-N	621.468	7.620	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CNc1c(Br)cc(Br)cc1Br	100042283	IKAHVSQGJXMOEU-FSJBWODESA-N	532.074	5.511	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	100063567	FGEHISKAXLDAMJ-MZJWZYIUSA-N	525.244	5.907	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(Cl)cc2C)cc1	100122482	ICMFWXUOQCJXJQ-VTNSRFBWSA-N	627.992	6.472	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	100178364	APLRZSGTSULKND-AFMWYRBHSA-N	560.053	5.626	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240673	XVNKNNHGZCMNIV-OKCVXOCRSA-N	587.485	5.295	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	100398399	RXSSFVVZMCYIEQ-RUMWWMSVSA-N	562.091	5.303	50	40	KKGB	
N#C/C(C(=O)Nc1cccc(Cl)c1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100842735	FKMVNBCWJOQAKJ-JSIHEXFSSA-N	538.854	6.167	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1OC	100858669	YMICRJOJYPBNIG-AJBULDERSA-N	543.693	5.882	50	40	KKGB	
O=C(Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1)c1ccc(Cl)cc1Cl	101052243	BIWHUKNORLSMJV-UZQUIGCOSA-N	588.079	5.495	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	101709842	SYMYPUMQHVLGOE-GZTJUZNOSA-N	530.191	6.475	50	40	KKGB	
O=[N+]([O-])c1ccc(N/N=C(/N=N\c2ccc(N(CCCl)CCCl)cc2)c2ccc([N+](=O)[O-])cc2)cc1	104382240	PPMNYIVABFDDCZ-VASXVXORSA-N	530.372	6.345	50	40	KKGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2sc3c(c2C#N)CC[C@@H](c2ccccc2)C3)C1=O	113481811	PPJKPSKLHGAKLC-KBMIEXCESA-N	535.654	5.628	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342139	FNNFWWIWSWUHLJ-REOHCLBHSA-N	642.009	7.752	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2C)C1c1ccccc1F	150371919	TXBLQCYQCWLYEK-UHFFFAOYSA-N	668.556	8.417	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)c(C(=O)OCC)c1C	408546409	IXFPIIHLBWDAJL-FOWTUZBSSA-N	544.050	6.526	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)c(C(=O)OCC)c1C	408547596	ZRILGIGYLMACAE-XSFVSMFZSA-N	519.619	6.069	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408604950	JGSOBYIDRQQEMR-IBGZPJMESA-N	528.436	5.640	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1Cl	408613460	ZSRGVHRICATBGF-IPBVOBEMSA-N	541.218	5.977	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408653860	PZUWAVHPEBAZDM-VSKUHVEHSA-N	643.159	5.320	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	408723485	WIQSCHXJXMLHAH-HPYSVAQWSA-N	580.471	5.889	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C\c2ccc(-c4cccc(Cl)c4)o2)cc1)CCCC3	408732410	QYRWSZUSSSUGPM-ACXHZZMFSA-N	543.048	6.312	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O	408735400	RJEWNJLJSJQCRT-VZUCSPMQSA-N	517.548	5.267	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408743013	YKWMLVJADNGXON-AMVVHIIESA-N	689.850	6.733	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408746848	WQIFBMXPMLBFOQ-SXGWCWSVSA-N	672.542	7.594	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747483	OOWBBBQWHLNPCG-PXNMLYILSA-N	683.094	6.849	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408747966	WIIFGCUYYBJGTJ-PXNMLYILSA-N	658.117	7.494	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408754836	OMOWREKRICKYBG-IUXPMGMMSA-N	625.144	8.042	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408767950	APZYXNUAULCIJD-ODLFYWEKSA-N	590.301	7.678	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccc(Cl)cc1	408778059	PPDCPAXSCOZVHY-MFOYZWKCSA-N	524.786	5.354	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc(Cl)cc1Cl	408787942	BBQNVISRWQRSRB-HCNMGLPWSA-N	590.223	7.516	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1	408793230	DIRSJOMOYJKXDP-CIAFOILYSA-N	579.403	5.457	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(OCC)c2)cc1	408795893	NNJDHTTYHVPECO-LPYMAVHISA-N	546.421	6.243	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1	408797394	RGJWXPMCOXKINL-FYJGNVAPSA-N	520.969	5.960	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)c(Cl)c2)cc1	408800918	RYAWTYCKLSVYOD-XDHOZWIPSA-N	511.361	5.913	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408814116	QEEKTTPBMQQSHY-VYVUJPJFSA-N	562.664	7.070	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408820616	YXLULZFRLYOLJC-GRSHGNNSSA-N	729.150	6.469	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408825378	AIIJYEFUQVQLDP-OKCVXOCRSA-N	636.952	5.339	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408826653	ICBRVCRGORXOGX-FABQOPTDSA-N	655.560	5.674	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408833881	WIBYJLOGHGMTTG-IMRQLAEWSA-N	539.657	5.511	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCc1ccc(C)cc1	408834042	KWHAUPUTAQRWLJ-KEBDBYFISA-N	632.882	6.794	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408838504	XDBCVAJCXPLSQU-RWPZCVJISA-N	573.414	5.507	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(F)c1	408847359	UKBJOXIHQAFZPK-BIKKEBSBSA-N	622.538	8.426	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc2ccccc2c1	408859772	ZNASEEYFRBFHQS-ZLMSITSKSA-N	605.738	8.686	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408861745	CRYFJLZUNKLYPJ-MHDJOFBISA-N	633.985	6.717	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(Cc2ccccc2Br)c(OC)c1	408865878	GECSSFGPAVAROX-UDWIEESQSA-N	554.282	6.919	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408877660	XIMVYHRFNKGBMO-IPBVOBEMSA-N	613.317	6.635	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408881497	LKVGVAGUNQJEBV-YBFXNURJSA-N	581.379	6.097	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccccc2C)cc1	408882812	OEHQBXBTYWZMAO-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OCc1cccc2ccccc12	408889380	FUJHVQLGGQRKMZ-WSDLNYQXSA-N	619.415	6.794	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1I	408890694	XTTREZACIWEJJX-ZVBGSRNCSA-N	623.279	5.147	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)c(Br)c1	408898055	JXLHGOCYMFNLSK-LFIBNONCSA-N	655.162	6.596	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1cccc(C(=O)O)c1	408908887	DVCKVYVQAANCCV-HNSNBQBZSA-N	603.469	5.511	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1	408936997	GLXHQNBFDONETK-MZFJOGFUSA-N	517.545	6.312	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	408945451	KTTNLBPCAWWASQ-HHHXNRCGSA-N	842.348	6.280	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1	408963668	IQMKUNHRRNTKEE-ZZKCBNHRSA-N	665.530	6.134	50	40	KKGB	
CCCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408969608	QOZGBAGAQUDFSQ-XPZVIRIISA-N	542.463	5.427	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCCOCCOc1ccc(C)cc1	408972244	ODKWNUTXZAMKLC-VUTHCHCSSA-N	541.442	5.395	50	40	KKGB	
Cc1cc(C)c(COc2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)c(C)c1	408973169	ZMAHCEAJUXBZKZ-LJCHNKGFSA-N	598.571	6.946	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408977984	GOFFNNJPNLZEPE-KHIJKKSWSA-N	606.144	6.186	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1Cl	408990353	XDJUJFAZRMUMJM-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409006660	JYHHWPZODZDVCR-KMUKQRDJSA-N	552.675	5.730	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1cc2cc(Br)cc(I)c2o1	409016460	CPOBEOBTBMLJGG-BHGWPJFGSA-N	568.596	6.008	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409017592	VGOUCYAAGTWMPL-XAZZYMPDSA-N	704.156	8.059	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1	409024157	AIZZUKINQIKKJR-QXUDOOCXSA-N	638.142	5.681	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccccc2OC)cc1	409027458	IHUGHTVLEBZWHD-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
C=CCOc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)cc1OC	409032521	JEPZKADLLAESSU-STBIYBPSSA-N	563.395	5.844	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409033658	OLXFCAOCLUGASS-CLHYIUPASA-N	759.385	8.607	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409039368	GKMHHTWURGOQMP-SFQUDFHCSA-N	574.420	5.939	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)c1	409045149	FJKNPYJOCHPGEP-GIJQJNRQSA-N	560.673	7.298	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OS(=O)(=O)c1ccccc1	409065594	JLQXCAAKFMKTOB-HAVVHWLPSA-N	502.592	5.436	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OS(=O)(=O)c1ccccc1	409067787	RFFMOTOCMUFSRX-XDHOZWIPSA-N	588.423	5.230	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1ccc2c(c1)COC2	409145525	QDBYFPLMQPZYNC-RSCRBYHOSA-N	604.682	6.278	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1	409202871	SUQYYVUAOSIXIC-RPPGKUMJSA-N	507.812	6.063	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	409210056	DGJMOMJEFUBIFU-LUOAPIJWSA-N	694.614	7.291	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409221213	MRWODUKPMHEMPE-ZRGSRPPYSA-N	520.742	5.422	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccco2)c1	409226602	VINTXCKIYIWXBP-UHFFFAOYSA-N	576.359	5.006	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409253187	WIWUYSGTXONJRW-BKUYFWCQSA-N	503.986	5.919	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5cccc(C)c5C)c(Cl)c4)cc3)cs2)cc1	409267591	OIXGDERSPRGONI-VHFSBPNMSA-N	624.166	7.914	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409269609	KRMBVWZRHMFQGO-VHFSBPNMSA-N	684.616	7.723	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1OC	409313508	CECONOXVZIGCJB-ZRGSRPPYSA-N	632.714	5.414	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409322056	ITSKGKBMWOOTKE-CPDSRJINSA-N	594.340	6.506	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OC	409323928	QDTSNGIWJAJYTA-FDVSRXAVSA-N	572.843	5.457	50	40	KKGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(Br)cc3C)=C2C#N)cc1Cl	409335907	QGQAERHXHNXZAT-INIZCTEOSA-N	534.863	5.439	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccccc1F	409371681	JYHGQMUWYBSVKM-WQRHYEAKSA-N	517.313	6.611	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c(OC)c1	409383719	CHCRLPSMHZKYOD-LGJNPRDNSA-N	548.231	5.572	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409395464	NXEKOPNUDSCPMZ-UHFFFAOYSA-N	812.083	9.254	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Cl)cc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409397024	FDLRXDCNOASCGA-UHFFFAOYSA-N	646.483	7.067	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397244	HVHQFLMKFWYALV-UHFFFAOYSA-N	628.081	6.814	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(C)cc1	409399926	AHPAIGWPPOZVDP-CLHYIUPASA-N	703.577	7.921	50	40	KKGB	
Cc1ccccc1NC(=O)COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409400432	DDEGMFRFMVOUKE-OJYCWLPVSA-N	576.653	6.356	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409405272	SNTOMQBYUGRKTL-HHGZQQQNSA-N	687.385	6.885	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	1529547850	PWRVJDSIXAYYEA-XINRNAFCSA-N	844.897	6.013	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)sc(C)c1C	1785468	ZVRMEXSXAZWHCB-KTBDRLKFSA-N	562.475	6.018	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1	1790477	SCSASIUWLRRGOO-YDYXIROLSA-N	552.881	5.845	50	40	KKGB	
CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	2091919	RDGJPZNRJHFRDI-FOBKEZNCSA-N	503.396	6.702	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(C)cc3)n2-c2ccccc2)cc1	2097406	JMUFABLDLKVOBG-OPKDQHMBSA-N	514.655	5.217	50	40	KKGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1Cl	2309780	UDHBEMMWYHNWMS-UXHICEINSA-N	504.395	5.252	50	40	KKGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	2311222	DQYHJZSIHZNYMC-SSEXGKCCSA-N	549.696	6.683	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C/c3ccc(OCc4ccccc4)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)cc1	2594720	FDEIFTLCDWDBER-URPLVSFPSA-N	594.696	5.019	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)cc1	3086597	FVXAUQCIEKTEFV-LGJNPRDNSA-N	546.215	5.268	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)OCc2csc(-c3ccccc3)n2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	3326276	KFAQYAVAQKQPMV-RGVLZGJSSA-N	541.982	7.540	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3[C@@H]2C[C@H](Sc2ccccc2[N+](=O)[O-])[C@@H]3Cl)cc1	4045306	GUTBZWPDHFRXQM-ULDNNVLMSA-N	532.021	7.695	50	40	KKGB	
CC(=O)[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](C)[C@@H](C(C)=O)/C(=N\NC(N)=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	4266917	OWHOMSYXRWWYIM-YETGOTTPSA-N	563.780	5.496	50	40	KKGB	
CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1	9046867	AWJMNLOOUQZTAL-KNTRCKAVSA-N	510.457	7.286	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(Cl)c1OCc1ccc(F)cc1	12555988	LFRFENISQBMOJQ-LICLKQGHSA-N	504.867	6.631	50	40	KKGB	
Cc1c(COC(=O)C(C)(C)CCl)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C(F)(F)F)c1	12953577	FANGXMYKLNMBDR-UHFFFAOYSA-N	527.992	6.183	50	40	KKGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)CC1	20233189	DWXKHFYKSPWWSC-UHFFFAOYSA-N	510.487	5.897	50	40	KKGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)c1	20243754	QORHRFYZXCPMFF-FCLYZYNOSA-N	504.881	6.449	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1	59333383	VJJPFBWQZMYSQY-ULJHMMPZSA-N	516.439	5.592	50	40	KKGB	
O=[N+]([O-])c1cc(Br)c2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1)N2	102410901	VLTWEAZQARLVMV-KMRIWGIYSA-N	560.857	7.304	50	40	KKGB	
C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	102454230	MGRAAYPCKABNEB-AHFNPBPXSA-N	607.132	7.556	50	40	KKGB	
O=NN(CCCCCCN(N=O)C(=O)N(c1ccccc1)c1ccccc1)C(=O)N(c1ccccc1)c1ccccc1	102782096	YJOMFMGVRBEIND-UHFFFAOYSA-N	564.646	8.430	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	102810274	NQOIGBVKPBCUOT-MHZLTWQESA-N	581.500	7.148	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCc1ccc(Cl)cc1Cl	102935003	DLGRRRYIQDQMGE-YVLHZVERSA-N	521.322	7.145	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)S(=O)(=O)c1ccc(C)cc1	103902019	BNISIYNGDFHGIT-HNSNBQBZSA-N	572.731	5.682	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4cc(C)cc(C)c4)cc3[C@@H]3C=CC[C@@H]32)cc1	104698972	XMGKYLADPIWHDR-AAECKXPHSA-N	553.728	6.690	50	40	KKGB	
N#C/C(=C\c1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12)C(=O)NCc1cccs1	104881558	YJNKCPACEOEYQX-LDADJPATSA-N	525.472	5.091	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1	207054455	FHOIVLSSIHYHPV-HMAPJEAMSA-N	521.411	5.659	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1	408535505	YQNLVPIJDHZULH-IPPBACCNSA-N	577.850	5.793	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(=O)O)c1	408541004	ASKKJICVYBOMRT-LCYFTJDESA-N	503.761	6.091	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cccc(Cl)c1	408543002	MLFKXIQCGUDCQR-UDWIEESQSA-N	500.986	6.314	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(C#N)c1C	408546000	BSGHNFZRZPOTFR-OVCLIPMQSA-N	508.939	5.435	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1	408568329	SQMUMZKCKZXKKD-KALUYTGESA-N	602.066	6.770	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408569274	ZXYLFWNMWQECLY-GRSHGNNSSA-N	532.800	7.914	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1	408611675	RORZHLWKMCDMRG-MUFRIFMGSA-N	514.409	5.840	50	40	KKGB	
O=C(NNc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408613175	ZOAXPKWMTGCEJS-INIZCTEOSA-N	504.801	5.722	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408644045	GSYYQGKQFCNHBW-LKNXBEMVSA-N	726.076	6.662	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccccc1	408712000	UUJZPRYXGHSUPS-VULFUBBASA-N	579.232	5.795	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	408742812	CCNKPFOBIORDFD-NVMNQCDNSA-N	544.218	6.784	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408760738	FGSJHDIGCPVTBG-IZYHBKOJSA-N	669.373	7.562	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1ccccc1Cl	408788526	KSDLNJFJVDVNRY-UDWIEESQSA-N	569.839	6.412	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1F	408790745	YDYXMRKGXHAVQP-GIJQJNRQSA-N	529.793	6.683	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408793999	RBXJENWPXBOJAI-CXUHLZMHSA-N	566.666	7.543	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408809740	HVHYBLJZJXMPIK-OYKKKHCWSA-N	551.470	6.932	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408816070	SJVJEGFVBOZBDK-YSMPRRRNSA-N	527.020	6.703	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(Cl)c1	408819919	ZFJKYRFNXJLMJW-GIJQJNRQSA-N	512.349	6.425	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408820690	YCGQKDOVLVRZBU-KQWNVCNZSA-N	556.529	8.113	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc(F)cc1	408829267	NLLWDECUZBIPMB-LFVJCYFKSA-N	542.994	7.191	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OC	408829312	NNOXCJVRBVLIJD-UDWIEESQSA-N	554.384	5.742	50	40	KKGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408840203	BWJFOYMIJBNBPG-VFLNYLIXSA-N	646.894	6.127	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)c(Br)cc1OCc1ccc(Br)cc1	408859508	XOAJGSZPAIWRRI-LGJNPRDNSA-N	533.220	5.348	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1C	408861749	CTGBAGYANMMBKB-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1	408861886	VHYPDAIMVYMTOK-BIZUNTBRSA-N	520.589	5.496	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1	408864033	WPFMTSWRWWBHDZ-HNSNBQBZSA-N	563.485	6.348	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408865125	BADMVBHXNZITTD-HUZSXYRPSA-N	527.484	6.117	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408871655	ZLWSBMKVJHXLCY-IPPBACCNSA-N	608.942	5.223	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1	408876709	QGXIGERDOVXKKL-HWLOXFRGSA-N	590.724	5.931	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(F)cc2)cc1	408878489	BJLIBTLJCRUOJX-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2)cc1	408884857	YRRUZRJSXWQUOH-MHWRWJLKSA-N	575.386	5.173	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(Br)cc1	408886634	KXYZKQUJHBIACL-STBIYBPSSA-N	503.396	6.344	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(Cl)cc1Cl	408893004	DPUDAYHOYKUVHK-YPXUMCKCSA-N	547.063	7.406	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408893354	FELAYSZJTYRNFI-WOJGMQOQSA-N	609.420	6.488	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Br)c(Cl)c1	408897614	YYEGFMZCYXRDRP-WOJGMQOQSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(Br)c1OCc1ccccc1F	408925524	RVDHNJIRKPEMKH-REZTVBANSA-N	564.238	7.418	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OCc1ccccc1C	408925969	VHJRMHUNUGQNKR-GIJQJNRQSA-N	512.349	6.343	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2I)c1	408926166	VRUGZZSWCOKCAV-LUOAPIJWSA-N	665.096	6.854	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408926576	XBQBBVIGYFSBQV-CXUHLZMHSA-N	605.412	5.182	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(Br)cc1	408950449	KHYOBOMTKHIFGO-XKZIYDEJSA-N	670.345	6.779	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(Cl)cc1Cl	408956706	YAJPFNKYEQTPTJ-NHDPSOOVSA-N	660.339	7.323	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12	408971268	IABSHLATCFRWRO-RIYCHKFSSA-N	544.479	5.994	50	40	KKGB	
O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408974036	VJPISEQOYBZLNI-GVUXBKJJSA-N	565.284	6.345	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc(Cl)cc1	408982261	CYYWBFRISHPPMU-XKZIYDEJSA-N	507.417	7.164	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c2C)cc1	408982911	ZRORKUQKPMPBGT-NQFKHPPRSA-N	528.678	5.271	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409004963	BULABCRGBRCBNY-OJYCWLPVSA-N	551.687	6.253	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C	409019890	XTHCNSMQIHKBLO-OGJVGATRSA-N	537.660	5.502	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1cccc2ccccc12	409040469	YCJZTZWEHHXQNM-HPNXWYHWSA-N	537.619	7.407	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)c1	409048583	SIPLLZADPMXMOX-VCHYOVAHSA-N	605.124	7.407	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccccc1C#N	409050255	SYUNRYFYGIERPT-IPHFVPNQSA-N	526.596	6.515	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409076426	AHQJMYMAPRWUSI-RIYZIHGNSA-N	533.846	6.319	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409090977	ODDOAVLYCKMKCX-RIYZIHGNSA-N	618.194	6.375	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(Sc4ccc(Cl)cc4)cc3)oc12	409095590	HUZCQFCYFQZGOL-LGJNPRDNSA-N	515.816	6.772	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409114449	JQGXHVKJEOMREQ-NJZRLIGZSA-N	592.515	5.625	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1)S(C)(=O)=O	409135474	RIYCYCKYXJBXPD-FDAWAROLSA-N	532.641	5.272	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409136351	SPIWJQQPAWXJSQ-AJBULDERSA-N	564.063	5.877	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1C(F)(F)F	409145807	PYASAKXOLMJPTA-VFLNYLIXSA-N	588.833	5.463	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)c(Br)cc1OCc1ccccc1	409148423	PRZACMBYUJSYBN-MHZLTWQESA-N	580.523	5.809	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1	409157737	WKCRSOZZQZNQBS-JJKQSNDFSA-N	576.959	5.091	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2c(C)cc(C)cc2C)cc1	409165153	TYLLUVBHHJLRIJ-WCMJOSRZSA-N	595.494	5.269	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(OCC)c3)cc2c1	409185387	YELZTLLGMUUJCV-MNDYBZJGSA-N	536.968	5.925	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1)NCCc1ccccc1	409185839	RECXNLRWDUVPLL-QXUDOOCXSA-N	535.669	5.378	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1C#N	409192673	DXCQZFMQYVRMOV-CCVNUDIWSA-N	512.791	5.716	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)nnc1-c1ccco1	409194957	RJYYTFZIGZQFJH-ZMFRSBBQSA-N	536.957	5.781	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(Cl)cc1	409219171	JZBZGQPPSLDWRC-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409219525	NKPUTGUTTMLDEM-IYURIRAOSA-N	568.542	5.222	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)n1	409222460	XGNHFJFAGDFCFE-NSKAYECMSA-N	537.842	5.470	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409225411	QKMYQIONNOPCKM-UHFFFAOYSA-N	620.843	6.067	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(I)cc1	409233428	KJQSSMBFZWNTIW-ZDLGFXPLSA-N	626.800	7.487	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)cc1Cl	409250978	ZEVDWCCOYKOHOW-KBKYJPHKSA-N	505.427	5.230	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1C	409256220	KOUVGRUUMDHNBC-UDWIEESQSA-N	506.356	6.056	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)c(C)c1	409258903	WKEXBXITNSRAMU-XKZIYDEJSA-N	532.438	6.246	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409264271	QFXMECWQMCWKNJ-IZYHBKOJSA-N	705.034	8.150	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Br)c2)c(C)c1	409267480	VWGMBGQBJDQRPD-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3CC)NC(=O)[C@H]2C(=O)OC)cc1Cl	409310575	VVMFLFHUZMUNDS-VXKWHMMOSA-N	576.502	5.373	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OC	409311580	AXUUDYRTYMOGSM-UHBFCERESA-N	631.467	5.187	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OCc1ccccc1	409312058	JQXKACGUEMVFNU-HAHDFKILSA-N	531.393	7.486	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCc3ccc(Br)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409317961	SHYBNUBVGSPRHO-PMACEKPBSA-N	535.847	5.172	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2Cl)ccc1OCc1ccccc1	409319689	KIARMIKMOVDUHI-KYHGBAKBSA-N	535.427	6.924	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OCC	409321188	GVRNOQDTEDXWOO-RHANQZHGSA-N	652.507	5.327	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	409325947	DMYKISUFTSVHCO-QXPFVDMISA-N	574.655	5.595	50	40	KKGB	
COc1ccc(OC)c(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)c1	409372860	RQOUDLIBIGWQLH-QDTIIGTASA-N	615.333	5.114	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	409376448	AUPDGARBLGBHFG-GZTJUZNOSA-N	574.353	6.040	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(c1ccccc1)c1ccccc1	409389799	ANCWFZDLAMXQRN-MNBJERMJSA-N	533.853	6.964	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)cc(OC)c1OC	409396518	YTZIKZCBIBOKKU-UHFFFAOYSA-N	644.080	6.514	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(C)cc4c3-c3ccccc3)cc2OC)cc1OCC	409396861	CCDHDKTZRYLQHB-UHFFFAOYSA-N	591.664	6.932	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409397438	JWNOXCLDLSHHGW-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccccc1F	409401895	IOVLXMGGVMNAGI-VHFSBPNMSA-N	693.513	7.361	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc(F)c4)c(I)c3)o2)cc1	409405262	SLJKJRZRIFHBFH-AEUUOICLSA-N	663.487	7.353	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1OCc1cccc2ccccc12	1529548782	NUDCUZLRPCGFIN-RESMKIPWSA-N	638.746	5.312	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1	2187784	IGFPYMZKUOGOHT-OAQYLSRUSA-N	516.907	6.208	50	40	KKGB	
CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	2201069	MICXGNIFUVDFEV-QINSGFPZSA-N	522.380	5.832	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2206204	PXJMAMBMWXLEJG-OCSSWDANSA-N	527.650	5.481	50	40	KKGB	
N#C/C(=C\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc(Br)cc2)cs1	2317813	WDYMUVICYNQZLO-JLHYYAGUSA-N	518.314	6.674	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1	2427053	YJRHJBOFLKZMLU-DYTRJAOYSA-N	522.605	6.037	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	2670864	UYUMKMRUIPJVTK-GXDHUFHOSA-N	549.266	8.153	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2OC(F)F)P(=O)(c2ccccc2)c2ccccc2)cc1	3214927	TVPOIEXDBGTPTK-AREMUKBSSA-N	527.529	5.588	50	40	KKGB	
CC[C@H](c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1)[C@@H](CC)c1ccc(OC(C)=O)cc1	8453693	UTYWUJACSUMZTA-IOWSJCHKSA-N	570.557	7.731	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OCc1ccccc1Cl	8873200	IKCRWFOOQATMLW-JFLMPSFJSA-N	501.808	5.773	50	40	KKGB	
O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccc(Cl)cc1Cl	13759175	SLYZDDZQNNHDDL-KHCQRQCYSA-N	513.428	7.113	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1	14186241	IVIJFYRLXKEZIL-LGJNPRDNSA-N	510.830	5.377	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(CC(C)(C)CC3=O)N2)cc1	20347652	HWVWFRHVZWQUKX-DEOSSOPVSA-N	502.596	5.340	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	30735357	FNXUPEHZSVVRRL-DXJNIWACSA-N	527.694	6.181	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(I)cc1	59222093	VDJGKXUVSUDUKY-JWGURIENSA-N	530.365	6.569	50	40	KKGB	
COc1ccc(C(=O)NNC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2Cl)CCC3)cc1	97979333	BFJPXYNEOSGKQL-HEHNFIMWSA-N	556.018	5.392	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048760	MHZKFQYJFSMSIT-MUUNZHRXSA-N	585.642	5.324	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1C	100118457	VITSJHYLANZEBO-GOJREDGKSA-N	590.749	6.870	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccccc2)cc1	100350436	GLPPXCLIQVWSQW-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	100955734	SPNSONJGBGVARO-MBTHVWNTSA-N	541.854	7.043	50	40	KKGB	
C[C@H]1[C@@H](c2ccccc2)[C@](C(=O)c2ccccc2)(c2ccccc2)OP1(c1ccccc1)(c1ccccc1)c1ccccc1	101011001	MVTYKNSHIPSGHL-AOQBCRHISA-N	590.703	8.412	50	40	KKGB	
CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528111	QMWUZDZPKSTOQW-VIFPVBQESA-N	522.180	7.644	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	103754210	RJVHXNMCLPCGIT-WKULSOCRSA-N	538.610	5.913	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl	105082048	WVSCPSFYBGVDCY-VCHYOVAHSA-N	535.349	7.536	50	40	KKGB	
N#C/C(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)=C(\c1ccc(F)cc1)N1CCOCC1	105754248	GFQVCNMSTXOWGB-LVWGJNHUSA-N	531.638	5.063	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C1/C(=O)Nc2ccc(Cl)cc21)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118917012	UKBJVLJEAXCAFE-HYVOMLIBSA-N	570.174	5.519	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CBr)CC[C@]4(C)[C@H]3CC[C@@]21C	118926156	ZOLSIZBHXGOWHP-OHPSOFBHSA-N	507.597	8.335	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	162477175	NCHCUBMJGCUSFB-FABQOPTDSA-N	687.012	6.353	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)C[C@H](I)CC(F)(F)C(F)(F)F	169795251	WGMZHQVWYXCKQY-WHFBIAKZSA-N	559.951	6.159	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795329	HSLOFXFGTDTISS-IUCAKERBSA-N	816.087	10.261	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795384	KOIUXUTVKCGPFE-BETUJISGSA-N	772.181	10.551	50	40	KKGB	
C[Si]1(C)O[Si](C)(C)O[Si](C)(CC[Si]2(C)O[Si](C)(C)O[Si](C)(c3ccccc3)O[Si](C)(C)O2)O1	195778514	COBHAYQRLYCASC-UHFFFAOYSA-N	579.140	5.060	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(Br)cc2)cc1	198303807	WQPFQXJMKQKUEH-XICOUIIWSA-N	642.575	6.835	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)ccc1OCc1ccccc1	408541417	ZLGWGRUXDBZURA-FMCGGJTJSA-N	682.796	8.577	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408543165	PSULFSMYAJFMHC-LSCVHKIXSA-N	533.205	7.106	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408543723	SKQJQCWCYIIBSE-IUXPMGMMSA-N	574.200	6.174	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)cc1	408569440	NNZSSFYSCXEJQR-LQKURTRISA-N	523.680	5.279	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Br)cc1	408583166	SANUDWUHIHIEPI-UDWIEESQSA-N	543.255	7.262	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl	408612944	XNYZQFMRNIDSKC-LUOAPIJWSA-N	511.192	5.968	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408638685	DDENTWOWGKCOJZ-VCOUNFBDSA-N	568.284	6.226	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408643970	GQNXNXLUQSWAJK-IMJYCFMASA-N	549.813	5.177	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408678416	YUUBHFLSPLMGCV-OCSSWDANSA-N	512.437	6.335	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408710918	WIOUROVTQPXEHS-ORBVJSQLSA-N	665.991	7.632	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)ccc1I	408746969	ISYKHKQHGIKTGI-ORBVJSQLSA-N	624.089	7.256	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Br)cc1	408746972	IUOZWAYWHDYITE-UZWMFBFFSA-N	559.460	5.813	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408747612	QIOWKGPOBZMCFA-LJUMEUDFSA-N	686.300	5.927	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OCc1cccc2ccccc12	408764490	IXTMNVLKIQMQQH-WCMJOSRZSA-N	589.515	6.699	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccc(C)cc1	408768764	IZINURNOASGYKG-UUYOSTAYSA-N	505.412	6.508	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC	408790268	VJLPNLRQFJRNGZ-LZYBPNLTSA-N	568.795	5.139	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408794518	ISOSMRXYJHXNNY-VXLYETTFSA-N	550.312	5.196	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1	408795606	MEBWAGOLTWIARS-VCHYOVAHSA-N	526.332	5.813	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(F)cc1	408796493	OJEZOQIOLBCHOS-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1cccc(C)c1	408799237	YKJVQKSWEPKDLW-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1	408799239	YKOZJLMVDBNDFE-DEDYPNTBSA-N	550.365	5.659	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Br)c2)cc1	408805059	CVLAWMRRIWHVAU-OEAKJJBVSA-N	533.422	6.367	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCc1c(C)cc(C)cc1C	408819871	YMMIYDDZUBGKSK-LPYMAVHISA-N	505.014	6.797	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OCc2ccc([N+](=O)[O-])cc2)c1	408821827	KPKBZXRDKYXANS-VCHYOVAHSA-N	523.929	5.399	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408831762	RWQBTTOSGUTDPK-XAZZYMPDSA-N	657.414	6.383	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408835339	WOFUKXQXRCGIEU-REZTVBANSA-N	640.745	7.950	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	408840909	DBTUPZYUBCYDDP-UXHLAJHPSA-N	522.517	5.139	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408841276	FEGRXWAHNAMUHR-RQRWGXNHSA-N	733.155	7.123	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc(C)c1OCc1ccc(F)cc1	408849759	YSNGFEAYFAOZPJ-RPPGKUMJSA-N	518.326	5.096	50	40	KKGB	
Cc1c(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1	408851189	JKGPUVDTBDEQDW-PTNGSMBKSA-N	533.651	6.818	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)c2C)c1	408857276	KGEPQEIOKDQYEW-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	408863945	RFGWGVBELGXWQL-IPPBACCNSA-N	577.877	5.549	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)o2)cc1	408872270	CFLHQAAMPMIFDS-QHDYCIAZSA-N	622.703	5.860	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1	408876315	KTVVQCJOEJMPBR-YDZHTSKRSA-N	547.449	6.388	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408882648	PXCFIFYHVPQREN-LICLKQGHSA-N	550.942	5.989	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	408890337	RPHQHJIQMVBKHY-WCMJOSRZSA-N	567.867	6.763	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	408896982	VDRKINDUPBBTAG-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408900666	XKCBAYHOAOIGER-VIZOYTHASA-N	537.186	7.333	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)cc2Br)cc1	408905267	WHBZQILUIYJRKH-PPDIBHTLSA-N	565.693	7.216	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccc(Br)cc1	408910240	GKUVHUVRKGIQIA-MZJWZYIUSA-N	517.807	5.609	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)c(OC)c1	408956173	PTGXWKLGSOGAGN-PDQWDMBESA-N	764.855	6.173	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408962005	FIUMPKYRUSQVHQ-KLPHOBTLSA-N	590.223	7.516	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408986004	ZBGQKOLVPFYNSB-GRSHGNNSSA-N	526.376	6.733	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409003206	RLVRJSGMRFYRPL-FVNKYMLISA-N	752.458	6.616	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409007443	OUXVRCAODNQABZ-DBFSUHOCSA-N	604.299	5.404	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)nc1	409011733	IFONNOZCDMHLOI-KBKYJPHKSA-N	577.220	5.675	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCc1ccc(Cl)cc1	409018688	IEWINTJJJOBOAJ-PNQUVVCRSA-N	732.594	7.957	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409029778	BHWVZYQPPGBOPK-KYHGBAKBSA-N	642.422	7.046	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409039643	XANCQIAOLWRXCZ-ATZGPIRCSA-N	614.083	7.467	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1	409046248	JOQZXHXAUMSCGH-VCHYOVAHSA-N	526.332	5.813	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	409057563	PXKAYLIKYZHEBN-FRKPEAEDSA-N	581.091	7.643	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(OCc2ccc(I)cc2)c1	409067850	ZWVGBXXUCXORSI-LQKURTRISA-N	606.302	6.243	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409070403	XHQRZNWSJBGMIG-GHRIWEEISA-N	517.390	5.705	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1ccc(Cl)cc1Cl	409070875	HEEKYTCFTIQUIG-YDZHTSKRSA-N	521.444	7.472	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409079049	JVQIVLLNZLZBEV-OQLLNIDSSA-N	543.319	6.546	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl	409172363	CXPWVADJYHXCOZ-KVSWJAHQSA-N	533.799	5.062	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409173460	NOFHHTYSAOPQTN-FJEPWZHXSA-N	631.162	7.399	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)c1cccc2ccccc12	409178633	MHCOTBPOMYQHAX-NDVMIDDPSA-N	561.641	5.802	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(C)cc4)c(OCC)c3)cc2c1	409187807	UNCTYSJNCJGRGC-UHBFCERESA-N	551.437	6.644	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409212745	QLZMMMXFDWMKLD-APSNUPSMSA-N	538.612	7.961	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccccc2Cl)cc1	409219860	VUZZYABBSGXFQC-CAQPMQTCSA-N	546.410	6.158	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409221717	ABYWUXSLXGJYEK-UHFFFAOYSA-N	655.730	7.100	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cccc1[N+](=O)[O-]	409222194	AXWVQPKOXCAVRX-FDVSRXAVSA-N	562.922	5.085	50	40	KKGB	
COc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cccc2[N+](=O)[O-])c1	409225514	PBMUZYAMGQDPQN-LJUMEUDFSA-N	572.961	5.492	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(I)cc1	409235206	YWUWXCRAAJMEPX-HAHDFKILSA-N	692.335	6.529	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)c1ccccc1	409244654	GWRKZNHHIGKEMH-MTEVNVADSA-N	505.368	5.511	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCC(=O)Nc1ccccc1	409245200	OWRATGYVPLHUGH-KQWNVCNZSA-N	562.464	5.521	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc(Br)cc1	409260720	VHMVKFARTVQCOQ-OKCVXOCRSA-N	635.340	6.632	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C	409271248	SVQGBQXVGFQUDC-CLHYIUPASA-N	633.774	7.659	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1	409271451	LCKXKTBZNAWWHB-KULFSUQXSA-N	644.584	8.259	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409310356	AOZNWJZZLFTTEA-KMUKQRDJSA-N	693.538	6.367	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1OC	409313143	HRCOUOMYPCUWPW-QRQIAZFYSA-N	591.480	5.177	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1OCC	409314759	TVJMECLKAWJOOK-YKQZZPSBSA-N	511.018	6.269	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OCC	409336424	SJMGZHLGNNAARR-ZMGVVAQMSA-N	677.923	6.007	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(Br)c1OCc1ccc(Br)cc1	409365151	SUSIGAMAAXAOPU-MWLSYYOVSA-N	574.313	6.445	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409366217	YYIMVGFPWDXVOI-BOPFTXTBSA-N	572.818	6.203	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC	409368872	QNOJODYDUJCMOT-BVMLUPFRSA-N	592.545	5.667	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(OCC)c(OCC)c3)c(-c3ccccc3)c2c1	409394825	GKUCMADRINKBMP-UHFFFAOYSA-N	749.456	8.539	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395559	PAJOEGMIGRJQGA-UHFFFAOYSA-N	538.947	6.380	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409395903	TUZSLFFJNYEHPM-UHFFFAOYSA-N	640.843	8.253	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409398271	SCAJLTCFEQMGQZ-UHFFFAOYSA-N	628.479	6.606	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccc(C(=O)OCC)cc1	1529548314	CJEDTIQIKQARND-PNPVWECISA-N	739.645	5.098	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1	1529548749	NBIKRIFXTQDGGN-JKYKOXDNSA-N	645.540	5.597	50	40	KKGB	
COc1cc(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc2ccccc12	1531386405	FOSBSJRUESCBMA-XFDYYPNTSA-N	634.132	8.424	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OCC(=O)O)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1765231	FKNVCUUBCUVVGF-KBVAKVRCSA-N	557.676	5.246	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	1872466	MPCODNUFADJUME-MHZLTWQESA-N	563.510	7.008	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(OCc4ccccc4)c3)n2-c2ccc(Cl)cc2)cc1	1899666	WSZQKIRRQAYOAH-HNSNBQBZSA-N	568.102	6.718	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	2670734	VSHQSCLMLZLJEF-XNTDXEJSSA-N	514.821	7.500	50	40	KKGB	
COc1ccc(OCc2cccc(Br)c2)c(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)c1	2756959	CTLVNHMUWUDFMJ-WKULSOCRSA-N	525.443	5.998	50	40	KKGB	
CC(C)c1ccc(N/C(SCC(=O)N2CCc3ccccc32)=C(\C#N)c2nc3ccccc3s2)cc1	3224573	AZOYAKVHPXEJOY-NFFVHWSESA-N	510.688	7.046	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CN(c4ccccc4)S(=O)(=O)c4ccc(OC)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	8437930	AXCDWNRASRWCQJ-IYDMRCFYSA-N	664.784	6.044	50	40	KKGB	
C/C(=N/NC(=O)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1	8770037	HLMIGUXIHGZYPO-BVMLUPFRSA-N	550.522	6.230	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	8837503	BJAHFEOAPBSBSU-WPWMEQJKSA-N	521.002	5.437	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3sccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9762909	JHDHEQDYRSNXPH-NTFVMDSBSA-N	503.697	6.153	50	40	KKGB	
CCc1c/c(=N\NC(=O)CCNC(=O)OCc2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3	13681452	XMPBWBQZKZTGHE-PJJLUWSFSA-N	517.626	5.272	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	20197943	GJZNILIWUNBITJ-IPPBACCNSA-N	521.828	6.787	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(C)(=O)=O)cc1Cl	20213094	OLJCAZYODWAJOL-OPEKNORGSA-N	514.818	5.132	50	40	KKGB	
BrC(Br)c1cc(C(Br)Br)cc(C(Br)Br)c1	59245648	BXGZVNSQLBRQQO-UHFFFAOYSA-N	593.571	7.052	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1ccccc1OCc1cccc(COc2ccccc2P(=O)(c2ccccc2)c2ccccc2)n1	95100933	ABHSUUYIUSWCLR-UHFFFAOYSA-N	691.704	7.518	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1c(Cl)cccc1Cl	97960502	CVQMFHBBWBNVMF-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)cc2)cc1)c1ccccc1	97965528	JUUMRPXPPCNFTK-YXTVXKGXSA-N	736.876	5.147	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OC/C=C/c1ccccc1)c1cc(Br)ccc1O	97965878	XWMIEYXIZHMGFQ-QRLGDNCESA-N	530.216	5.773	50	40	KKGB	
CCOC(=O)c1ccc(/N=C(O)/C(C#N)=C2\S[C@@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccccc2)cc1	97968677	OAUFOFXWQHPNLU-FYAMCCBRSA-N	565.573	6.597	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(N)=C(C#N)[C@@H]2c1cccnc1	98006092	TYFOFCCUZFKIHQ-NRFANRHFSA-N	568.650	6.185	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	100101217	KQZTVIZCNQGCOU-HHHXNRCGSA-N	544.702	6.026	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)c1nn(CCO)c(N)c1C#N	100543985	KPCOJTGZSUXZBL-LHHJGKSTSA-N	523.207	5.586	50	40	KKGB	
CCn1c(SCC(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)nnc1-c1ccc(Cl)cc1	100839401	DACVYRWZBSGHQE-MWLSYYOVSA-N	536.057	5.448	50	40	KKGB	
Cc1ccc(NC(=O)[C@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c(C)c1	100868652	PSSXLCREZXGFSL-KKXDTOCCSA-N	508.092	5.928	50	40	KKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OCC)cc1OC	100877234	AOSINGNOEOZEMF-XQNSMLJCSA-N	532.662	7.024	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	102807394	FIYVNGWWSMAFED-RUZDIDTESA-N	564.461	5.853	50	40	KKGB	
COc1cc([C@@H]2[C@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Br)c1OCc1ccccc1	102836025	FWRZQYFLQSUICM-JEYPMZLKSA-N	571.519	6.903	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3N[C@H]2c2ccc(Br)cc2)[C@H]1Cl	102975242	CQXFVUIYAGMTLY-OWBSIYFLSA-N	584.750	8.703	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1	103249335	INPLUNUPIFVKPZ-SWOOFCMFSA-N	564.440	5.125	50	40	KKGB	
N#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	103889561	DXXHIMNCTPXXRE-WDZFZDKYSA-N	577.003	5.809	50	40	KKGB	
c1ccc([PH](CCCCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104054595	LQPZIJIXFDOWDA-UHFFFAOYSA-N	610.762	8.000	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1	104119155	UYCQPJUJQFGHJL-HSZRJFAPSA-N	512.462	7.197	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4cc5ccccc5cc4O)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709494	FECORVLQWBZLKS-VAVXCEMJSA-N	533.628	6.543	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1	104766438	DNSZVOBDOQBCEP-BIZUNTBRSA-N	541.991	5.974	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342206	WBYGVCFMJSKGNU-REOHCLBHSA-N	892.044	10.928	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2OCC)ccc1OCc1ccccc1	408539072	FDSWWQYBYIAOLS-KMUKQRDJSA-N	637.958	7.822	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408551215	MLORPQWQMNDXKZ-MXAYSNPKSA-N	575.402	7.184	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408567432	NHKGZCFISGPRPG-CHHVJCJISA-N	517.185	7.414	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408569791	PYQVXBFJHSDXFM-VTNSRFBWSA-N	579.143	7.089	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1ccc(Br)cc1	408579070	CWXHBFFFDVOLHM-RQZCQDPDSA-N	538.066	8.162	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2ccc(Cl)cc2)cc1Cl	408579198	DORUTGYRHDFVLV-VCHYOVAHSA-N	516.222	7.146	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	408600919	HFANXPXVDCAZLK-MNDYBZJGSA-N	533.440	7.884	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2c(F)cccc2Cl)cc1	408608734	IKSZFDDFMIDLCW-OKCVXOCRSA-N	527.980	5.334	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408639352	FPNQAYJXFYZRCV-VQHPVUNQSA-N	651.566	5.809	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408641408	KKOOLMJTZPJQBI-VCTPWBKUSA-N	722.038	7.163	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	408659560	VYAPRKYXCDBZHG-QEQKNVQMSA-N	659.158	5.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	408676959	OADUSDVERUZXRP-UXHLAJHPSA-N	565.468	5.229	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1-c1ccc2ccccc2c1	408724003	CABPJOLPXHQYKI-SEBMTOOBSA-N	571.080	7.997	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1	408727096	YHURLBRYYQHMIS-WQRHYEAKSA-N	508.328	5.491	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408753824	ODRDQWGZGVCSCI-KGENOOAVSA-N	529.530	5.070	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	408763149	HUTFUXPDMQSQNK-DEDYPNTBSA-N	646.459	5.098	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2Br)c(OC)c1	408776521	PJPGKGPRTBJIKG-NDENLUEZSA-N	570.281	6.907	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCC(=O)O	408788896	MWKWBLPZSTZSOW-LFYBBSHMSA-N	514.159	5.164	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1	408794694	AVSCQHUDDFZILC-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Cl	408798938	XPCYJPVWLYLMFA-VCHYOVAHSA-N	512.349	6.425	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(C)c(C)c1	408801455	TVXJWALCTZBCET-KEBDBYFISA-N	525.830	6.853	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408803900	UOGCCJKENGYGMM-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408821077	CBEAGKUSTLQOAC-LFVJCYFKSA-N	584.426	7.061	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1	408821182	DGRKIYAJGWRLLC-QJOVZPHJSA-N	584.554	7.936	50	40	KKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c1	408822945	CXGGYAIQTTYOPH-VFCFBJKWSA-N	559.065	8.505	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408824657	IVYXFZZQLJTGSM-OEAKJJBVSA-N	593.894	8.359	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408827219	ICPONGJQOKSXOM-MHDJOFBISA-N	633.985	6.717	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408828831	JPLHMPUIUOKKBB-BIZUNTBRSA-N	561.635	5.067	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl	408829334	PIZKWTYHFDNCLG-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)cc1	408830061	RMZKUEHSZTYQGB-STZFKDTASA-N	659.389	7.594	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408833600	RWXQTTVWBKZLFI-STBIYBPSSA-N	625.563	8.477	50	40	KKGB	
CCOc1cc(Cl)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408838185	CPJZLXQYXYUYAE-IPPBACCNSA-N	541.460	7.032	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC	408838867	JMFNBBRTJLKVIO-QNVXDBMFSA-N	701.357	7.017	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408839506	TZWMCCMYGWQQNK-VTNSRFBWSA-N	546.410	6.537	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408840757	ZYPMCFXFSZNMEL-MWBNBJEGSA-N	686.588	8.274	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1	408842675	PNPYKBBLOZKCRW-KBVAKVRCSA-N	597.480	6.369	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1cccc(F)c1	408845978	QDUCKZMUOMDTJH-XJECJHNESA-N	601.103	8.006	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408852161	IWTZDQHDZSQFRJ-IBBHUPRXSA-N	572.286	7.651	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1C#N	408854043	WEGLVZILVDXUSO-FDVSRXAVSA-N	518.367	5.809	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1	408856147	BEXVJMYXMJMFGO-KIBLKLHPSA-N	509.415	5.233	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c(C)c1	408856283	JRLJQLAONVQSMO-IPHFVPNQSA-N	544.655	6.719	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Cc2ccccc2Br)c1	408868798	OVCMZPSZMPACAW-XDHOZWIPSA-N	526.228	6.357	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(Br)c1	408878728	CXTGHJVKFGXEJJ-GZTJUZNOSA-N	635.290	6.050	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(Cl)cc1	408888545	WXLZOHOFFBLKIC-IIHBXENTSA-N	700.908	7.444	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Cl)c2)cc1	408889777	JBMPUVQBFDRIDI-XDHOZWIPSA-N	525.786	6.014	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1cccc2ccccc12	408895452	KPLBGHWZTGMZEJ-PCLIKHOPSA-N	519.000	7.780	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1cccc(C(=O)O)c1	408904608	MCWSZGPCYREULU-QDTIIGTASA-N	582.363	5.543	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1cccc(C)c1	408925517	ULRSISSMFUHAHW-CCVNUDIWSA-N	576.285	6.270	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccccc1C	408925634	SLMLCPCIKGMFES-UDWIEESQSA-N	617.281	6.886	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1cccn1-c1cccc(C(F)(F)F)c1	408931516	MQMLRBJUJAFASZ-FTCYSYDXSA-N	596.201	6.098	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408970760	DHEHIAYHEMFMPK-RCIBEZFCSA-N	733.874	7.642	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408971376	JIWPVRFFTGWZIU-CFWTXEOSSA-N	650.341	5.454	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3c(C)cc(C)cc3C)cc2)c2ccccc2)cc1	408977868	GASANCKBWZEBQW-KEBVBBACSA-N	569.727	6.059	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408987666	GFRIJLZWNSADEG-XKZIYDEJSA-N	555.889	8.207	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	409041027	HZDOMTRRLZBMSG-VZUCSPMQSA-N	504.100	5.785	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Br)cc3)cc2)c1	409045979	QOCLCNFPICONHJ-QGOAFFKASA-N	598.453	5.703	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccccc1C#N	409115186	KVEHWMJZQTUVSJ-VWLOTQADSA-N	593.377	5.087	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)C2=C1CCCC2=O	409129977	MWZQFVRUOXXCLE-OAQYLSRUSA-N	580.253	5.907	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1c(C)cccc1C	409173226	HSZHJWIBQLJCPM-PNQUVVCRSA-N	669.303	5.330	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)cc2c1	409184057	IDZBYTLEHFFEHF-NUJZUDFISA-N	614.392	5.486	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1	409223901	HJFNLKIKQCFECP-NGOKJVHISA-N	647.869	6.646	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)/C=C/c1ccccc1	409225547	QYAVGZGBERLSGO-AQFYJWBDSA-N	587.554	6.349	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1	409227440	YMDKJYZYOXIZSN-UHFFFAOYSA-N	640.412	6.712	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409242020	PQUHYMHCZLKXRF-QREGZJMFSA-N	583.382	5.571	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1cccc2ccccc12	409246721	ARYCVRPGQASQKA-IPPBACCNSA-N	565.493	5.839	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409256349	NZCLYBHZPMFRDL-JAIQZWGSSA-N	629.882	6.523	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409260478	QTDYVBJPZKLLGG-GRSHGNNSSA-N	534.956	5.437	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1	409262211	FUIGFAJKPHMZSL-FYJGNVAPSA-N	534.012	5.927	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OCC	409303800	OMBVJURQBPORHG-UHBFCERESA-N	630.435	5.304	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OC	409311797	IHDFUVHKJWBTED-LJUMEUDFSA-N	552.027	5.402	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409317013	NMGVEJAZQXLCEF-UHBFCERESA-N	531.436	6.532	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)ccc1OCc1ccccc1	409325801	BFPMYMVIWLTWEA-OHUYPAJKSA-N	635.029	7.089	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1OCC	409332537	HADYVHOIIMCFBK-UHBFCERESA-N	514.981	6.018	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409363285	LHHWURIAUBQJRX-XDHOZWIPSA-N	599.400	5.701	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1	409373724	TXDMHUAFOSQAAW-MNDYBZJGSA-N	600.840	6.458	50	40	KKGB	
COc1ccc(OC)c(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)c1	409374720	XMCACKQBFLIUCE-QDTIIGTASA-N	615.333	5.114	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409395320	MGGXBDMANSLOKV-UHFFFAOYSA-N	730.638	8.759	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409396738	AOLAAEBTIQMDRP-UHFFFAOYSA-N	659.968	7.699	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)o2)cc1	409407399	ZOZIGSKQRNCZLJ-FDUMAKPYSA-N	746.283	9.441	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1	1529547902	RIOYFNQISOJRTF-XINRNAFCSA-N	781.442	5.657	50	40	KKGB	
Cc1ccc(S(=O)(=O)n2cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c3ccccc32)cc1	2801628	KZESFQZYNGPCAA-SFQUDFHCSA-N	520.954	5.294	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccc(Cl)cc1Br	3025081	BVCDTHYRVLRTKA-QPSGOUHRSA-N	555.448	5.165	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c2ccccn2c1C(=O)c1ccc(F)cc1	3238506	FDYOAITYJZOLRF-VTNSRFBWSA-N	535.604	6.091	50	40	KKGB	
CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5)c(OC)c4)CC(=O)N3C2)cc1	12251037	AFRMERNAVPLFHY-VWLOTQADSA-N	511.647	6.056	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccc(Cl)cc2C)cc1	20206866	KGAXUBSDTYJYMC-MUFRIFMGSA-N	528.074	5.337	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OC(C)C	59222150	SGMJLSZUNBJKDZ-AUEPDCJTSA-N	557.182	5.360	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1Cl	59336323	DQPJOTVZMNHTBG-YBEGLDIGSA-N	502.785	6.387	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1	59647246	RILIMYPLVPJEQQ-XKJRVUDJSA-N	605.864	5.445	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)CSc3nc4ccccc4s3)c2C)ccc1I	97960985	NWLBNOFWYPCABI-BRJLIKDPSA-N	560.486	5.859	50	40	KKGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)cc1	97961080	TXOSJKFQNZKNMJ-CFEYGAOESA-N	573.123	6.231	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965790	VCXKPZAOILZIDV-UKIVNFPFSA-N	610.917	7.481	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	98048699	OLRWUTCDEZSKFV-NDEPHWFRSA-N	568.655	5.188	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)N2)c([N+](=O)[O-])c1	98048896	MALLEOKJXACUBV-RUZDIDTESA-N	648.019	6.575	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	100062815	WYEZQZVKXPMQBE-ZMFRSBBQSA-N	577.229	5.400	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2c(F)cccc2Cl)cc1)S(=O)(=O)c1ccccc1	100103036	XDMPITHAIGESET-VTNSRFBWSA-N	570.473	6.600	50	40	KKGB	
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	100141864	IYGLPSNBQAVEGX-GDLZYMKVSA-N	527.577	5.825	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(OCc4ccccc4)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852143	OKLBGRUXBKIMEU-ICUTVXMZSA-N	589.765	7.362	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccc(O)c(OC)c1	101179676	HPUTXASRVWFEJP-XMMPIXPASA-N	559.566	5.217	50	40	KKGB	
COc1ccc(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)c(OC)c1	102398445	ZTLXNPJPXXXHCO-ALQBTCKLSA-N	552.030	6.769	50	40	KKGB	
CC(C)CN(c1ccccc1)[P+](Cl)(N(CC(C)C)c1ccccc1)N(CC(C)C)c1ccccc1	102919429	QGORWRXSYNGYJV-UHFFFAOYSA-N	511.114	9.391	50	40	KKGB	
CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4c(s3)C[C@@H](C)CC4)ccc21	102940718	WNZPZFVYQIAJRS-UWODKOOBSA-N	539.708	8.313	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1C	107677445	BWHYTSVKFZJIKS-XODNFHPESA-N	564.705	6.754	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1ccco1	112254512	PMSXTRUNGSVJNO-OEYXHEATSA-N	537.575	5.399	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	150434369	DKCUFYMGCPOQLU-HUQNGGHASA-N	660.104	7.547	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164700676	HHXQUGDUWMURMT-STZFKDTASA-N	693.298	5.870	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1Cl	216044444	NTJFYXHXWLVERD-FDVSRXAVSA-N	529.862	6.390	50	40	KKGB	
FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI	219203633	HNFRZWUSPAMSKT-UHFFFAOYSA-N	581.904	6.016	50	40	KKGB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@]2(CC[C@@H](Br)c1ccccc1)[C@]1(CC[C@H](Br)c2ccccc2)C(=O)[C@]2(C)CC[C@H]1C2(C)C	245240198	OTDWURFYQOPABZ-UXENSYLPSA-N	696.608	10.842	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1ccc(C(=O)O)cc1	408542051	JQQHGDSYHYCMKN-UCQKPKSFSA-N	531.349	6.786	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3Cl)c2)c(C#N)c1C	408546191	DWQGHXXEPZWWGK-RGVLZGJSSA-N	504.995	6.056	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)c(C(=O)OCC)c1C	408546224	FHELNSVBWPRXPZ-HYARGMPZSA-N	579.646	6.246	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)c(C#N)c1C	408546341	HINLDTRCEJUXLG-ODLFYWEKSA-N	531.615	6.192	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	408578638	AEDXWCWINMDRIQ-VIZOYTHASA-N	528.060	8.706	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1Cl	408591438	TUKLPHNMZMGFOU-IPPBACCNSA-N	572.684	7.361	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)CC2=O)cc1	408604844	IUWZBJQQCUEDJU-KRWDZBQOSA-N	530.408	5.086	50	40	KKGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408612178	UJMJAUFZECJKPX-KKMKTNMSSA-N	535.225	5.732	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408638924	DPANPFBOVPYEET-HNNXBMFYSA-N	653.560	8.141	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408640236	HRDLQPBCFZXMNJ-YVSFHVDLSA-N	651.566	5.809	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408649656	YVBQPBVZOPPRTM-MHORFTMASA-N	647.147	5.164	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCc1cccc2ccccc12	408710700	GBJWVPIGERBTKX-WKULSOCRSA-N	554.359	5.935	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408710709	GTUJENXSNABQTL-LUOAPIJWSA-N	587.095	6.870	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(I)cc1	408711698	GNEBQMDTURIYMV-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c1	408727716	WFPFTFUHZBZVRQ-WKULSOCRSA-N	568.265	6.716	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)OCc1ccccc1	408737288	NHTJWNUCCFUXTC-KMQTXPKYSA-N	614.294	5.386	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408747421	NQRSNIXPQURUJE-KYHGBAKBSA-N	720.199	6.781	50	40	KKGB	
O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1ccc(Cl)cc1Cl	408756586	WJZFFOMRQBHJQK-VTNSRFBWSA-N	513.380	7.283	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408758496	LCKKRYRYZMUOBN-MFOYZWKCSA-N	532.221	6.889	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408792655	BTTXIBBYYUSZPJ-GZTJUZNOSA-N	575.200	5.884	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408794048	RFIGEKDYPSOZMN-WSDLNYQXSA-N	575.362	6.477	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(F)cc1	408807546	CPCKUTHZDANTBR-MNDYBZJGSA-N	537.385	6.414	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408813334	QPWBASCDPXMLBM-OCKHKDLRSA-N	556.800	5.822	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408819627	YDDUJDFMVPXPMV-LDADJPATSA-N	524.835	7.513	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408828495	MOAXIZBFBQWCGC-FZPRHHONSA-N	657.532	5.243	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)c(OC)cc1Cl	408829930	XTMYVNHYZWLUOS-CAOOACKPSA-N	683.724	6.858	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408832846	RWNOJPGGGKUQBG-JEPNHJGPSA-N	695.219	5.567	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)Nc1ccc(F)cc1	408833937	XJBWVGAGZFUVBL-GUBAARJWSA-N	636.705	6.003	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5cccc([N+](=O)[O-])c5)c4C)cc3)cs2)cc1	408847792	URAQVELPYCRPJU-KBVAKVRCSA-N	550.644	6.942	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408849046	YMNRAJJYJCWYND-BIZUNTBRSA-N	566.570	5.537	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc2c(c1)OCO2	408853368	OAQAQVBRLPMSOT-PPDIBHTLSA-N	523.339	5.276	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2C)c(Br)cc1OCc1ccccc1	408854738	BZGHJSJFTGANKP-UDWIEESQSA-N	570.281	7.043	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1OC	408865567	BFWCCCNQTHTHAR-FOKLQQMPSA-N	528.266	5.169	50	40	KKGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1	408872239	BRENNSAOWASCHU-PPOKSSTKSA-N	541.692	5.626	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408876523	LXGRITCWYAYKPQ-DBSPGSINSA-N	671.175	6.300	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)c(OC)c1	408879811	GWEQWOVCXCKNHW-UFFVCSGVSA-N	600.307	6.340	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408883008	PYGWDQVXVXGZSF-RPPGKUMJSA-N	646.650	5.901	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408884274	YELVCVYWLFBOQI-ALQBTCKLSA-N	609.561	7.060	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1Cc1ccccc1Br	408885034	WNMGMCFIUPBCLX-GIJQJNRQSA-N	530.249	7.209	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	408886257	JDVXFCYAOQVLQE-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1	408886303	JVGJXYHAYJBZKN-YDZHTSKRSA-N	566.439	6.604	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408889980	MCHZDGQCHMHKIS-XDHOZWIPSA-N	589.895	6.431	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12	408914370	WMIKYLJAJDRSMK-TYBAKLTESA-N	517.029	5.459	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1	408921638	BMNCLJZRZGCKST-KKMKTNMSSA-N	521.770	5.602	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408923760	JRVGTSGVQKIIIL-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)NCCc1c[nH]c2ccccc12	408957005	ZOYRXRKVKSVTNN-JCMHNJIXSA-N	500.396	5.775	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1C#N	408961402	BZOQJOWRQXQTIK-VVEOGCPPSA-N	532.316	5.691	50	40	KKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2)cc1	409037810	NVKGBJBZJWMOHB-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409056930	FKKZMDDQWDVLSE-DPNNOFEESA-N	656.986	6.031	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCc1cccc2ccccc12	409070539	CAQKNGROBXUSIL-VFCFBJKWSA-N	532.640	7.490	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2o1	409080092	HQOVWQSWWAMXEB-NTEUORMPSA-N	507.256	6.263	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409092227	UDHHNPBMHYWLRT-CPNJWEJPSA-N	553.493	6.697	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	409140021	CKCSPPAJCZAEMP-FDAWAROLSA-N	659.933	5.869	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(C)(=O)=O	409185439	LMGYEPZLTHRQMM-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)cc2c1	409188569	DPDMKRPHVNUGOA-OHUYPAJKSA-N	542.035	7.235	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc2ccccc12	409226520	UMGIRACRIUSZOE-DUVNODKESA-N	510.462	5.039	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC	409227460	YVVQIPGTPDRTEG-UHFFFAOYSA-N	588.016	5.601	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(C)cc1	409232770	PRLQNHSPVCHBOJ-AYBNGVQBSA-N	552.412	5.972	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1C	409252048	BJYXHQVMJIYLQG-NHDPSOOVSA-N	611.334	7.008	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1C	409253145	WBTJYUMASOUSKR-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Br)cc1C	409255901	LSSZJXMAJUVSJJ-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)cc1Cl	409269879	AOEQSMLYIXEYPW-FXMZOFOKSA-N	658.572	6.717	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1OCC	409321374	GFRYGJLJWACOSU-QRQIAZFYSA-N	591.480	5.177	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1OCC	409323484	OHEJBMWOAVQBCI-MZFJOGFUSA-N	517.025	7.024	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(-c3cc(Br)ccc3Br)o2)c1	409371452	IUXLMPYFWKBRCG-KSEXSDGBSA-N	508.166	5.253	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cccc([N+](=O)[O-])c1	409372270	UUXGTNUUUQSOMF-IUXPMGMMSA-N	642.618	7.101	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1ccccc1Cl	409373987	WRVSFXXNRJHWRG-HNSNBQBZSA-N	529.036	6.972	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCc1ccc(Br)cc1	409381423	GXWISKLQUGMIQA-GRSHGNNSSA-N	559.258	5.895	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409385107	HOBIEBLYICAHHN-PDGQHHTCSA-N	584.854	6.073	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409387217	UWSOSRIDVMENIS-VTNSRFBWSA-N	597.722	7.174	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1)Nc1ccccc1F	409388665	WCUQGLBLSHAFBX-OHUYPAJKSA-N	565.630	6.474	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c(O)c1	409390962	GJUVWYCQZMNKJM-KBKYJPHKSA-N	568.649	5.922	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4cccc5ccccc45)c(OC)c3)[nH]c2c1	409392324	PABSXPKMLBCSBP-MTJSOVHGSA-N	587.417	6.981	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)cc1	409395218	LDKNOHXRXXDXGV-UHFFFAOYSA-N	577.438	6.761	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccccc1Cl	409395764	RMFPBXZFZOQGHM-UHFFFAOYSA-N	701.802	9.150	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc(Br)cc1	409395874	SRKAIKUHMGKYMI-UHFFFAOYSA-N	780.698	9.912	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)O	409400109	BJPAJDLFBNGBTI-KYHGBAKBSA-N	557.603	5.231	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(O[C@H](C)C(=O)O)cc4)c3C)o2)cc1	409404704	QRCXJOQAQKQANQ-MDHYHXTLSA-N	594.668	6.289	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(O[C@@H](C)C(=O)O)c(Br)c3)o2)cc1	409406463	WVFBYHABNWJFBE-PIEWVDTRSA-N	659.331	6.407	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc(Cl)cc3)o2)cc1	409410256	UKJLJCPUYMGDPO-AEUUOICLSA-N	602.474	7.556	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(OC)c1	1529548057	WKEPMULUBNMTCM-NSJAHCMFSA-N	717.642	6.075	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)nnc2-c2ccccc2)cc1	1749633	SWFFQXNDYXVJNU-AJBULDERSA-N	503.631	6.152	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nnc2-c2ccc(C)cc2)cc1	1807372	QNVDRVBPMJZKSB-FJEPWZHXSA-N	525.556	5.513	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1841241	QCAIMIJWHZGPEG-BIZUNTBRSA-N	541.721	6.606	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1Cl	2373271	KMORUQHOFFOHIP-OMBWOSJFSA-N	502.039	6.330	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	3043765	IPTSBUWFOWLBLZ-LTTYKRRRSA-N	592.524	5.551	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccco1	3117406	HEJKILMWEVOIKG-VFJHFUSOSA-N	529.390	5.718	50	40	KKGB	
CN1/C(=C\[C@@H](I)[C@H](I)C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21	4522487	WGDGVGVLCQJFHK-FJZTVQCYSA-N	611.329	6.611	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)OCc2ccccc2)N1	8439277	JGQAIMBEPZULNX-MHZLTWQESA-N	530.049	6.151	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)c(C)c3)c2C)cc1	20243641	WBUKOMXYJRJTSM-UVHMKAGCSA-N	514.489	5.866	50	40	KKGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CCSc3ccc(Cl)cc3)c2C)c1	20243910	KDYGHDAKLMRGAW-VULFUBBASA-N	504.881	6.451	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)cc1	53333255	KEISCAQBMSQGCP-NDEPHWFRSA-N	566.683	5.820	50	40	KKGB	
CCOc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1	59646194	OCAWOVOLAZSGOV-UHFFFAOYSA-N	592.600	6.820	50	40	KKGB	
N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O	97946878	STXUEXBIIWLYLK-YNGKYYQNSA-N	553.423	5.170	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	98048663	JTDPYTCSJIBREQ-VWLOTQADSA-N	587.023	6.967	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100129367	ILWFTIRYEXCNMT-ZMGVVAQMSA-N	603.959	6.396	50	40	KKGB	
CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(/C=C/[C@]13CC[C@](Br)(C(=O)C1(C)C)[C@@H]3Br)[C@@H]2Br	100747181	KCHBNJFXKOPVID-XTWIFEELSA-N	616.026	6.115	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C	100988908	FAWBCNBJJNIXBQ-OMBWOSJFSA-N	536.484	6.984	50	40	KKGB	
CC(/C=N/NC(=O)c1nn(Cc2ccc(Br)cc2)cc1Br)=C\c1ccc(C(C)C)cc1	101666507	YPSAPTDDMDYZCN-XBDVZRCZSA-N	544.291	6.399	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(Cl)c(Cl)c1	102016186	MCNXZZYXVPYTJX-XODNFHPESA-N	546.501	6.823	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C(\C)c3ccc4c(c3)Nc3ccccc3S4)c3ccccc3n2)cc(OC)c1OC	102980527	GCKRDGBIBRRYAM-ODNPBWNPSA-N	576.678	7.290	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)c(Cl)c1	104952094	ZDMDSTOQPHROLB-YBFXNURJSA-N	552.483	7.329	50	40	KKGB	
O=[P@]1(Nc2ncccn2)OC(CCl)=N[C@@H]1c1ccc([C@H]2N=C(CCl)O[P@@]2(=O)Nc2ncccn2)cc1	105428406	XOXNHNUFOLUVLI-GFZVYMGCSA-N	567.270	5.209	50	40	KKGB	
C[C@]12CC[C@H](OC(=O)N(CCCl)CCCl)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)N(CCCl)CCCl)CC[C@@H]12	118935685	RWHNPJRLKOXYHE-OUGWIXDFSA-N	628.509	7.599	50	40	KKGB	
CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341676	IGSRURMIJOPPCU-CQSZACIVSA-N	942.364	14.042	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	150667102	QSIKETLMFYAUIR-MOHMRZFQSA-N	639.709	6.296	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(I)cc1	198305102	PVGRMTPTLXYQOP-RUMWWMSVSA-N	657.961	6.803	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(N)=S	408542304	IHLFJNGWNRXNMJ-QDEBKDIKSA-N	521.061	6.290	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553041	WBNSDUQUXKOCJQ-RQZCQDPDSA-N	642.329	7.056	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408567522	FLRHVKYFRPWSHC-XAZZYMPDSA-N	656.451	7.741	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638932	DPQVMCQOKDLORY-NFYRHNLVSA-N	738.493	7.678	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408642018	LZGNRFXUXJGQNB-SFSAILNRSA-N	661.174	5.553	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408644005	QLFKIGBBAZOAQL-TYZHSBRISA-N	697.610	6.292	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408650013	ZAHSISSDZSVWPX-MHORFTMASA-N	662.118	5.064	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1	408744301	KGXBGDRKFRKHJV-PGMHBOJBSA-N	514.423	6.705	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408745186	PYGLPUFMQVWTMJ-UNOMPAQXSA-N	680.280	6.428	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)c1	408745519	NDTWTDVZFRSZNL-ZDLGFXPLSA-N	668.244	6.558	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1cccc2ccccc12	408745899	WHGWVEBCDUGBFQ-OEAKJJBVSA-N	527.418	7.044	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1	408746462	ZJQJFTWCNGKXCE-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)NCc1ccccc1	408746513	DYMJNYAASCXFPB-OCKHKDLRSA-N	526.774	5.813	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408763274	IOJOEXZDMMPLMC-PXNMLYILSA-N	581.091	7.643	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1	408766967	UJIFCQSZNLLFJI-LDADJPATSA-N	510.377	5.955	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc2ccccc2c1	408788379	CPIOJUWJQGRJGB-YDZHTSKRSA-N	561.863	7.779	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408790345	PCGOITIWIPLWJT-XIEYBQDHSA-N	518.016	7.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408791660	AJZJWSZTTNWYOU-DJKKODMXSA-N	526.376	6.733	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(I)cc1	408796121	NGSZQBVRACHNNG-UDWIEESQSA-N	617.281	6.886	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408797324	RDRYGRNBWVQHOO-FRKPEAEDSA-N	591.643	6.898	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(F)cc1	408799282	YRFOMABRFMFRAV-LICLKQGHSA-N	515.766	6.375	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408803733	SUSLPTSISJVJDA-KGENOOAVSA-N	531.837	7.689	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1C	408828436	MPFMJXAXSFGFHD-XJECJHNESA-N	617.093	6.729	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408831035	UUMSSWRGGQVVJT-KBVAKVRCSA-N	565.095	5.674	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cccc(Br)c2)cc1	408831048	UWEIJGFAYHHQSK-KPGMTVGESA-N	648.410	6.817	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1cccc2ccccc12	408836965	XILAUNWEYYAVBS-CVKSISIWSA-N	735.405	9.463	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc(Br)c1OCc1ccccc1Cl	408838328	UZEBDAYMLDWIIV-FABQOPTDSA-N	703.080	7.066	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2I)cc1	408839328	QRTRTOBTCXDMHB-QNVXDBMFSA-N	757.879	9.226	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408840272	DAZJVHZGXNBKBU-PONZDJLKSA-N	688.353	8.255	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(Cl)cc1	408841175	ICTTTWPCGPQRJO-IIHBXENTSA-N	609.457	7.493	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(Cl)cc1Cl	408842141	MNEHOPAPKUTVNY-IIHBXENTSA-N	609.457	7.493	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	408846898	RRLISOQEOJIURW-KCSSXMTESA-N	546.410	6.158	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	408859926	VPLMSIUDJSRRNX-KCSSXMTESA-N	617.555	5.167	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2cccc(Cl)c2)cc1	408864815	ZXAKLUFMBUCIQD-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1	408867852	MFWIUQJYFSDOPA-YNCTYVJUSA-N	547.902	6.629	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c(OC)c1	408875010	HKHDSDKQALUZGQ-RGVLZGJSSA-N	599.381	5.019	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1	408879052	FBUTVDNDFAZPJX-GZTJUZNOSA-N	520.916	5.981	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408882414	NZLUBAUDDMVDGZ-KVAAJVFYSA-N	735.882	7.107	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408883150	RRVYWNGVUGTAOV-VGOFMYFVSA-N	551.169	6.973	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1OCc1ccc(Cl)c(Cl)c1	408889245	BCYRSVIZQOUICI-MHWRWJLKSA-N	532.767	6.688	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1	408892527	CDXUDUVUMKAHTD-ZMOGYAJESA-N	562.492	5.069	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1	408893682	HOJFEHZAVHMABI-SFQUDFHCSA-N	531.815	5.724	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Br)C(=O)Nc1ccc(OCc2ccccc2)cc1	408895484	NABPJZMPOGTDFA-LFVJCYFKSA-N	618.325	7.915	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(Br)cc1	408903979	BYYXSANNEMYTJE-QDTIIGTASA-N	664.250	6.450	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2I)c1	408921571	BECRGWDVIBHYSF-CAOOACKPSA-N	689.118	7.636	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F	408924555	MXDSODANDJVQFQ-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408936956	IWQFHNWQMNQXRX-QNKGDIEWSA-N	592.117	5.311	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccccc1Cl	408942522	GBXIVNGOMRLQPO-WJOKGBTCSA-N	633.170	5.533	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)c(OC)c1	408953688	MIVZKOPTNMKWIY-XESRJCMYSA-N	731.600	5.919	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408961787	FBVJRWUHULWTCM-KNBZMSCYSA-N	576.196	7.126	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1Cl	408965945	XWAJIAHOBAYGRV-VVEOGCPPSA-N	555.778	6.863	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	408969584	QIQHSXBYBJSGIQ-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2c(Cl)cc(/C=N/NC(=O)c3ccccc3)cc2OC)cc1	408971693	PGZHBNFMVCOBAS-NJZRLIGZSA-N	525.045	6.529	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408974574	ZTMVUTDNBCPWIJ-IKUTULSBSA-N	570.473	5.212	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I	408983047	JVPXBDKNYWESRU-AUWJEWJLSA-N	555.597	5.573	50	40	KKGB	
O=C(N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)NN(c1ccccc1)c1ccccc1)OCc1ccccc1	408999337	RCCTVZXVRZDDTC-SANMLTNESA-N	733.344	6.308	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409003249	YVAQNJBHIZIWPQ-YBEGLDIGSA-N	611.117	7.652	50	40	KKGB	
CC[C@H](C)Oc1ccccc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409011898	OZVKURMVJVLTNQ-LITAXMHPSA-N	541.183	5.741	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409024076	UFGMYATUIZABRB-DANHRZQXSA-N	631.535	8.261	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC	409027324	AEROXCAZOJAHJI-NDZAJKAJSA-N	537.682	5.145	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409029347	ZRBDTOXWPJVOGA-QZLBSSPJSA-N	578.090	6.016	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409031693	KDBSMNYOERDUAW-JRZNSJKLSA-N	604.735	9.203	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1	409069189	WKWWYAPZODQPSG-GZTJUZNOSA-N	561.399	5.102	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409080981	OUJNCFXCDIOZRX-HYARGMPZSA-N	551.521	6.756	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409091174	QADANAOXNWYGKV-YSURURNPSA-N	514.150	5.420	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)[C@H](O)c1ccccc1	409142167	BQHZAJTUXWPDAI-SBKPSYLISA-N	681.095	5.965	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)[C@H](CC(C)C)NC(=O)c3ccc(Cl)cc3Cl)o2)c(Br)c1	409150913	FOZCOVYWBSUSPB-DHCNTSDESA-N	565.295	6.619	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccccc3)c2)cc(OC)c1OC	409217588	DMWYQMXUBORCII-XXQKDSAGSA-N	658.505	6.110	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c(OCC)c3)c2)cc1OCC	409227564	ZODPMIZWBJYYHP-VUPGEZJNSA-N	666.687	6.426	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409227773	WPISTANQKQTPID-UHFFFAOYSA-N	552.543	5.147	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409250977	ZETRVPXEMVOIIL-PXNMLYILSA-N	661.643	7.851	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)c1C	409260911	YKAXPPUDUGHFTP-XDHOZWIPSA-N	522.374	5.768	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409267304	URUXBKRZXLRDRC-KBKYJPHKSA-N	642.098	6.234	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)cc1Cl	409269617	KTAFEYXNUSVNOM-LICLKQGHSA-N	514.796	6.518	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)ccc1OCc1ccccc1	409306163	YPUBHESEYXJJAP-DLCNMLRHSA-N	656.346	7.671	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1OCC	409313531	CGWNTGSYQLYNIH-LQNQUEJISA-N	600.453	5.915	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccco1	409368950	UKFXOYLZEZKTKO-PGGKNCGUSA-N	547.030	6.454	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCc1ccccc1	409383952	RAOACCNNUPLOOP-WOJGMQOQSA-N	556.450	7.145	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409394214	XFZNLEXDBGMWDW-ZDLGFXPLSA-N	513.338	6.208	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409396986	DRADALMQVSGOIU-UHFFFAOYSA-N	739.950	7.110	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(C)=O	409397362	JAGBKFDVXPNWJP-UHFFFAOYSA-N	597.627	6.905	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409397880	OZQBTMVUDJZDPB-UHFFFAOYSA-N	591.973	7.499	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409398451	TVCTZWIATNLYAU-UHFFFAOYSA-N	531.927	6.212	50	40	KKGB	
CCOc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409400784	FJAHANFKZRELGD-NTFVMDSBSA-N	502.527	5.337	50	40	KKGB	
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[C@@H](CCl)C(O)(O)C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC	1570006806	PEKAGDKIGSDWSZ-KWHMJYGFSA-N	631.382	10.840	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CC[C@H](C)C2	1816807	RSIVSABVZOHYEN-XOAFGZPJSA-N	505.552	5.763	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2cccc(Br)c2)cc1	2176387	HBHLUBFBYREXBX-JFLMPSFJSA-N	546.259	6.343	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1	2316039	NATICGGTFLMLSI-FFWKWCQCSA-N	515.440	7.029	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	4048150	INDBPULSIXDSCZ-BIUWRGFISA-N	523.998	6.744	50	40	KKGB	
COc1cc(/C=C(\C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1	4196347	WDPZGBPMFPLJBT-GIJQJNRQSA-N	533.647	7.517	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	6444271	LBPCXOXADNPBHK-NDEPHWFRSA-N	544.076	6.608	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	16291885	IATBXLNUYYXNDH-QXPFVDMISA-N	500.558	6.792	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	20150248	KGCKKFBMISZXAO-SANMLTNESA-N	512.635	5.911	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H](N[C@@H](C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1	59100883	MSZYQWCTAUZISV-AJQTZOPKSA-N	589.534	7.191	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc(C)c1	59336442	ZJKVXCWCDBGPIA-ODLFYWEKSA-N	515.824	7.479	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1	97951936	OMHYIGAGYIKKBT-VWLOTQADSA-N	535.025	5.648	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4ccccc4Cl)s3)C3=C2C(=O)CC(C)(C)C3)cc1	98006065	GFJZLBXKQGEDQO-XMMPIXPASA-N	578.163	6.823	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	100063537	ACCIEUDWCNXUAP-MUFRIFMGSA-N	552.266	6.637	50	40	KKGB	
C=CCc1ccccc1OCCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(OC)cc3)s2)cc1OCC	100229025	YVGCIJOHUKMFDF-QNKGDIEWSA-N	615.712	5.077	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	100988441	MQUPOOJTAVIENK-IVYNLYIOSA-N	573.299	6.821	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1	100990698	OAPAVDSQDUMUEQ-MZOFLMDJSA-N	556.009	6.144	50	40	KKGB	
CCCCCCCCCC(=O)Oc1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	101149929	MDPZZBPTEDDDCX-MKXGPGLRSA-N	557.323	6.159	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccc(OC)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	101156155	MYWHMVMCIVGKHM-HHHXNRCGSA-N	557.628	5.416	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C)cc2)cc1	101237500	XMGRGHHDECHDHL-BHZNVDEZSA-N	522.457	6.675	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	101559000	FTQONRWCWCKVCF-HHHXNRCGSA-N	598.939	7.458	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(COc2ccc(C)cc2[N+](=O)[O-])o1)c1ccc(NC(=O)c2ccc(Br)o2)cc1	102300074	OXXKUEBRCXHLBR-MWLSYYOVSA-N	581.379	5.837	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1cccc(OCc2ccccc2)c1	103537048	QGAFDSDNZJPCGQ-LJAQVGFWSA-N	606.729	6.678	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	103883128	WQDCYGWPIOOSNT-STZFKDTASA-N	571.302	6.591	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\Nc2ccnc(N/N=C\c3ccc(N(CCCl)CCCl)cc3)n2)cc1	104385392	ASNHZFHNZPSPTK-PCNBCNDESA-N	596.394	5.937	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1c(Cl)cccc1Cl	104953570	BLXVWWLXIZDSEA-OQLLNIDSSA-N	522.215	7.433	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	150385729	ARGYJDQVWMGGIC-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	164810072	ARBADXVBZVOSMA-XZYGTATASA-N	640.589	6.934	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795406	YCRGUBLLEWUTAS-ZIAGYGMSSA-N	986.236	13.482	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	209287235	QPPMLXCINJDGEY-QCFMCPCVSA-N	603.144	6.451	50	40	KKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1C	408611937	SNIDHFGDHNRHFX-KVSWJAHQSA-N	549.252	6.041	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1	408615887	UDIMEAUUAMTXFP-WKULSOCRSA-N	530.408	5.459	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1C	408637661	MOMPDEYAEWYSRE-HFZDXXHNSA-N	523.988	6.011	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1	408643934	QHZZHAOFURJTTP-BDXSIMOUSA-N	617.121	5.156	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(I)cc1	408677607	SLFYWTIFHPJPAA-OGLMXYFKSA-N	555.416	5.243	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408678417	YVAAOKLKJNUEHV-OCSSWDANSA-N	521.017	5.039	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(I)cc1	408711981	UADAQFNGILYLLX-IPPBACCNSA-N	664.135	7.312	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(Br)cc1	408724711	GYCRAFXZGAKRJD-WQRHYEAKSA-N	572.253	6.441	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)ccc1OCc1ccccc1	408736343	AUWPBCGMEHXXGR-QNKHSMSSSA-N	576.653	5.743	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1	408743604	BJFMHNOPKYACRS-PDGQHHTCSA-N	589.227	6.187	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(C)cc3OC)c2-c2ccccc2)cc1	408744697	ZKBJLEQZOPNIIF-QCFMCPCVSA-N	529.640	7.291	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408752593	FCUXRIMZQXSSPY-ROPCREHHSA-N	625.654	7.666	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)c(OC)c2)c1	408779344	CZOQYVNWMQCZIG-ODLFYWEKSA-N	586.280	6.744	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408795258	LUCYDSAGWDYXNH-CAOOACKPSA-N	638.245	7.030	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3F)cc2Br)cc1	408796771	PBRHBZXCVLLANR-YBFXNURJSA-N	539.357	5.508	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1	408797628	SIBOIVDVXYKSRM-VCHYOVAHSA-N	699.124	7.091	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1	408810988	QHZGCXAVZZYDEM-QGMBQPNBSA-N	501.797	7.089	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2cc(Br)ccc2o1	408816634	WLXDDRQVBVPMMR-BCHBDCPOSA-N	652.093	6.971	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1cccc(C)c1	408833405	JXABORYEJNUDCK-VUTHCHCSSA-N	532.640	7.406	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408838097	CBPCQKGERGNPMD-QNVXDBMFSA-N	691.991	8.019	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839566	UKXNLWCIUATKEF-PTEHHBOZSA-N	822.748	9.680	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408840907	DBLKCMJWHCYLSL-IZYHBKOJSA-N	691.003	8.260	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408841324	GGYLWDJAPMGDJD-PTEHHBOZSA-N	790.715	9.078	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(I)cc1	408845706	RAMIKCYXBLEKCE-HBHSWBPBSA-N	714.935	7.834	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(Br)c1O	408861724	CDYGLPPGMUNWGM-XKJRVUDJSA-N	620.831	5.181	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ncccn2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408868921	PXZHDLZEICUBGC-YPXUMCKCSA-N	556.269	5.376	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)cc1Cl	408870833	UUKMHMVPBZUSPS-NCAUGAEKSA-N	591.514	7.515	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OCc1ccc(Cl)cc1	408882686	RTWNYNCXRGFDLG-RPPGKUMJSA-N	646.650	5.901	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c(Br)c1	408885530	BLVCZZRJNDZDJM-GXDHUFHOSA-N	545.187	6.542	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cc(C)cc(C)c1	408887473	QXZDFNRIJAQNCP-SSDVNMTOSA-N	553.884	7.551	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1Cl	408891091	LICNEEXCPXXNBR-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1cc(C)cc(C)c1	408891816	VTSCGLIRRUASIB-WSDLNYQXSA-N	552.412	6.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408891968	WNHDAFATFFYJJQ-WOJGMQOQSA-N	522.901	5.680	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccccc1F	408894295	HJHLCLPTXFEQLF-GIJQJNRQSA-N	540.345	5.938	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1cc(C)cc(C)c1	408894574	JQJQASRZVVRQJP-SRZZPIQSSA-N	539.857	7.243	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl	408896131	PDOOUFGKIGPLHP-XODNFHPESA-N	507.801	6.154	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408896928	UWWIEYYZZJPOAK-LICLKQGHSA-N	611.235	7.582	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2I)c1	408922129	DINCACDMSAYPHA-RPPGKUMJSA-N	630.651	6.201	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c(C)n1-c1ccc(Br)cc1	408922710	GDRDRTQDLFFBBP-SFQUDFHCSA-N	546.206	6.007	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(OC)c1	408954951	NWQFHHLALMPXKQ-IRWRTZFPSA-N	730.956	5.318	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	408955716	OZVXDLIWCSRSKL-BXAFPDBCSA-N	606.476	5.424	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccccc1	408964201	BVPYZUCTISJDEQ-CCVNUDIWSA-N	543.336	5.044	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1	408972613	PRTWAYHCJKFOCM-BQSNHMCDSA-N	699.429	6.989	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1nc2ccccc2[nH]1	408993162	UZBNAXNAAITJOI-DTQAZKPQSA-N	545.605	6.782	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c(C)n1-c1ccc(C2CCCCC2)cc1	408994736	ZZASSIZKOAXODW-FNQZQSCWSA-N	566.706	5.853	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1cccc(C(F)(F)F)c1	408999568	UYTOXHDJZNGNFX-BJUCDSOZSA-N	516.523	5.731	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c2ccccc2)cc1	409002726	PHAYTBARBWHNCR-BZCOGROQSA-N	685.438	6.659	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2)S(C)(=O)=O)cc1	409025870	ZBCXFDJEHTZWEU-FDAWAROLSA-N	549.096	5.786	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409037519	NVJVDJFHQVKMTL-MWLSYYOVSA-N	659.265	6.440	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3c(C)cccc23)n1	409040446	XUDZIPHVPNEMQN-ULPWCQAASA-N	526.493	6.262	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409056624	NBHJCPZCXPUIKM-LZYBPNLTSA-N	525.741	7.790	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)Cc2c(F)cccc2Cl)cc1	409115944	JXSUMQKVYPTPHB-KCSSXMTESA-N	566.054	5.921	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1	409165543	ZGQBGXWROLXHEQ-KPGMTVGESA-N	692.938	5.547	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1	409171321	ZFKSCRSVQJIIDD-OKCVXOCRSA-N	557.434	5.279	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Br)cc1	409214083	XUWWGTOTYVGNGT-ODLFYWEKSA-N	558.226	7.162	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1ccccc1	409220487	AMCSWBOLUJHDBF-LPANUZLBSA-N	684.315	7.412	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	409222885	FHYJBUOJXPCNMK-GZTJUZNOSA-N	617.827	5.525	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]23)c1	409224097	KGMOBHQAIRSNRQ-NQCQHTAVSA-N	576.052	5.624	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409225319	OFVHYQITSXKBFC-UHFFFAOYSA-N	655.288	6.720	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3cccc(C(F)(F)F)c3)cc2)cc(OC)c1OC	409225332	OIIQZGCGRBHYTD-RODHXAHZSA-N	666.565	5.875	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccccc1F	409235893	CSLBJCOCPCRXBH-HAHDFKILSA-N	537.429	6.222	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409249628	KBADTTUGDFWSDM-WKIKZPBSSA-N	530.806	5.201	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	409254725	YDHGWDGDPCRNGS-MFOYZWKCSA-N	569.799	5.882	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1OCC	409313182	HZWCLDJAAJVYGO-MWLSYYOVSA-N	509.990	5.227	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1OCC	409317878	SLMCKGCXKOCOLQ-UHBFCERESA-N	631.321	5.957	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OCC	409321861	HKNLQYDLEXBWBK-RHANQZHGSA-N	509.990	5.309	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C	409372112	FPAGPDDVSPJFQX-QLQYKETESA-N	531.700	7.488	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386213	OWLZENGWTSHIIT-AMVVHIIESA-N	550.423	7.612	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409386541	MKOVZCZWYGDSQT-NVMNQCDNSA-N	657.677	6.224	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409394458	ARPQAORBHKLRAZ-UHFFFAOYSA-N	522.004	7.034	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C)cc(C)cc2c1-c1ccccc1	409395802	RWZAOZUWJJMQQP-UHFFFAOYSA-N	709.822	8.622	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C#N)cccc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409396897	CPZJMHJKYMQJGU-UHFFFAOYSA-N	637.092	7.149	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409396970	DLVJDJHOGZCREA-UHFFFAOYSA-N	634.889	7.772	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)c(I)c1	1529547842	PRSVZRUBSGODBE-JRAYHQQOSA-N	698.583	5.064	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(OCC)c1	1529548175	AULLSINLBHZUSS-RNMNIPMUSA-N	854.505	5.759	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1	1888942	MADWGEWHSLLJNX-MZOFLMDJSA-N	506.002	5.264	50	40	KKGB	
COc1cc(Cl)c(Cl)c(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccccc3)n2-c2ccccc2)c1O	2738707	LENOTZQEMOZMEN-ZNIRGWDNSA-N	571.490	5.531	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H](Br)[C@@H](Br)P(=O)(c1ccccc1)c1ccccc1	3068968	GAJAHEWFSZKLSU-UIOOFZCWSA-N	588.216	6.457	50	40	KKGB	
CCOC(=O)c1c(CP(=O)(c2ccccc2)c2ccccc2)nc2sc3c(c2c1-c1ccccc1)CCCC3	3338841	WICSUAQBQOULNM-UHFFFAOYSA-N	551.648	7.533	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	8386207	GXUKGEQPUXYXFZ-PPOKSSTKSA-N	585.726	6.133	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1ccc(C(C)(C)C)cc1	8451199	RBXGEUKQUYCNCN-SANMLTNESA-N	542.705	5.937	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(Cl)cc1Cl	9186676	PUBMUJBIKUNXGN-QRQIAZFYSA-N	510.450	6.182	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c1C	20243914	CZXNEUZKCHVERH-MZJWZYIUSA-N	518.908	6.759	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(C)=O)=C(C)N2)cc1	20347471	BVTRUMQCDLAFAG-XMMPIXPASA-N	510.015	5.174	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl	33792377	LPWYWVYPNLNRIE-SXGWCWSVSA-N	511.853	7.331	50	40	KKGB	
CO[S@@](=O)c1cc(Cl)cc(Cl)c1OC(=O)CSSCC(=O)Oc1c(Cl)cc(Cl)cc1[S@](=O)OC	82196886	GYJSTKRYMHRILW-HEVIKAOCSA-N	628.382	5.531	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1c(F)cccc1-c1cccc(F)c1P(=O)(c1ccccc1)c1ccccc1	95612000	LOVXRVXQZGUCEG-UHFFFAOYSA-N	590.546	6.911	50	40	KKGB	
COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@@H](C)O4)C2=O)cc1OC	97946820	GXMSLISPEBNZRG-GJDRTLBCSA-N	614.702	6.023	50	40	KKGB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(C#N)\C(O)=N\c1cc(C(F)(F)F)ccc1Cl	97980636	LRVRLUQCKJRIAK-GHXNOFRVSA-N	533.259	7.720	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C)N1	98048596	DEVRQXJLKRPNLB-AREMUKBSSA-N	601.050	7.221	50	40	KKGB	
O=c1oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2cc1SSc1cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2oc1=O	100170646	IOIFEZWOMVENLA-UHFFFAOYSA-N	622.852	9.634	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	100475463	LSWFOTBVRPJASY-LSHDLFTRSA-N	517.386	5.469	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Br)cc3)nnc2-c2ccc(Cl)cc2)cc1	100851989	BIXPFXLVHOWZBR-RHANQZHGSA-N	584.927	6.381	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNC(=O)c1ccccc1Cl	101007336	TWJDSAYWALQQCE-RGEXLXHISA-N	522.479	5.216	50	40	KKGB	
N#CC(C#N)=C1c2cc(S(=O)(=O)Oc3ccc(Cl)cc3)ccc2-c2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)cc21	101192779	JPWYNLFLRCFPFB-UHFFFAOYSA-N	609.468	6.358	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	101883640	WXPXWFHMCIIGSA-APTWKGOFSA-N	547.571	6.321	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Br)ccc3N[C@H]2c2ccc(F)cc2)[C@H]1Cl	102975220	GRCLJBJEWJBFNF-BQEPTVRSSA-N	533.850	7.535	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccccc1Cl	103890935	VULOVSXMJLBDNK-STZFKDTASA-N	541.862	7.899	50	40	KKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)N(C)N(C)C(=O)CCCCCCC/C=C\CCCCCCCC	104046395	MZXOXFMGHYPCII-WRBBJXAJSA-N	589.006	11.893	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1c(Cl)cccc1Cl	104953607	YUWURFNBOOYNKN-OQLLNIDSSA-N	522.215	7.433	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	105436793	PMPPPCXRRNBVDI-KEIPNQJHSA-N	584.097	6.418	50	40	KKGB	
CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341240	UAKCXZYWOHJHOQ-ZCFIWIBFSA-N	630.120	8.380	50	40	KKGB	
O=[P@@](OCc1ccccc1)(N(CCCl)CCCl)N1CCN([P@](=O)(OCc2ccccc2)N(CCCl)CCCl)CC1	150366933	RYXBFYDAKXJMSU-XRSDMRJBSA-N	674.374	6.813	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1)S(=O)(=O)c1ccccc1	150383996	UKCCURLQTZGMGL-NNLKUIAGSA-N	658.607	8.040	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c2C)cc1Br	408534125	UWRBRDFXGKNJDP-XKJRVUDJSA-N	507.354	5.746	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408567889	QBVZYJDPVKLLEA-CPDSRJINSA-N	513.808	7.152	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1	408570227	SWDXIRPCOHSQRH-VFLNYLIXSA-N	703.849	7.294	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	408580459	PRRGPSBFNURPQX-NTEUORMPSA-N	543.653	7.241	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408582697	PBURKCLRMQIQBD-RGVLZGJSSA-N	511.405	6.791	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408710631	ATVUMHZCBUYSRP-BRJLIKDPSA-N	563.202	5.471	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408710898	VKMCMCGSAYSUGJ-KVSWJAHQSA-N	587.216	6.479	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1ccccc1Cl	408727930	ZRCYZOQREVLRTJ-KKMKTNMSSA-N	582.676	6.312	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1	408745815	VTEJXDLPNPEVLO-UNOMPAQXSA-N	573.228	6.487	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(F)cc1	408746092	QTRWKGACCWBHLJ-YVLHZVERSA-N	562.766	6.217	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)ccc1I	408747767	STDNDPNOBIZLFH-LUOAPIJWSA-N	617.640	6.198	50	40	KKGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl	408756983	YVXICUZFGRYILS-NTCAYCPXSA-N	518.334	5.215	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1	408763193	OFEGWNNEWPJDSD-MZJWZYIUSA-N	539.455	5.546	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408787709	FFPDETRJEBXGJO-UDWIEESQSA-N	536.382	6.189	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1	408788765	FZTGMMDMXOPQPC-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc2ccccc2c1	408790157	UKMLIRHIVJMMIF-CVKSISIWSA-N	602.472	7.585	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408794841	TVYYQBDGIMYTPC-WOJGMQOQSA-N	601.251	6.643	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408795002	UITWTMRBJOGBIF-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1cccc2ccccc12	408797864	SVNJJGXTKQSBHF-MFKUBSTISA-N	555.472	7.743	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408809459	HCZDMERFTZWGBI-VUTHCHCSSA-N	694.569	8.855	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)c(OC)cc1Cl	408825064	RFYDGMUPMMGJGN-VCHYOVAHSA-N	527.802	6.244	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2cccc(C(F)(F)F)c2)cc1	408831391	VKRVFHNIUSRHIW-CCXLKAJDSA-N	652.695	5.616	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1	408831728	RUTKUWGIROTASY-FNTLCPBMSA-N	727.865	5.279	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408837528	HUPPOWOOKMRUAO-BKATUZMVSA-N	779.337	6.033	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)c3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)c(Cl)nc2c1	408837572	IZAVVOQNAYQNLZ-FMFFXOCNSA-N	527.068	6.115	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(O)c(I)c4)cc3)cs2)cc1	408838059	BTYWYWJQISMUNT-LGJNPRDNSA-N	554.413	5.936	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)Cc1ccccc1	408840867	CONTZKFFBJIFMM-UZWMFBFFSA-N	566.570	5.158	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408843718	MTZHUQXLFSVFFY-MUFRIFMGSA-N	547.478	6.953	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408844568	KGZIZZAIPAEROG-UVHMKAGCSA-N	537.241	6.889	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(Cl)cc1Cl	408853417	OSFQBXXBKLCHAX-AQLQTECXSA-N	588.285	7.582	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408854597	ABLIJEUKGIIUAV-KOKCXWAISA-N	663.399	8.874	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408859872	UPQVYRYAKBZYAM-HNSNBQBZSA-N	592.117	5.890	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	408861209	PMNCDPWFNIVZEN-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1Cc1cc(C)cc(C)c1	408866376	HYQQYMJQGIFCOZ-KEBDBYFISA-N	509.831	6.864	50	40	KKGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	408876521	LWPFAJLLAYBQIH-UHIZKJEFSA-N	647.968	6.337	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408878337	APYSXIGMUWXRFI-VCHYOVAHSA-N	597.378	5.797	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3Cl)c(OC)c2)cc1	408878725	ANRKVBMGFMGSSP-YBFXNURJSA-N	539.813	6.034	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc3ccccc3c2)cc1	408881296	KOEMEMUVVHRRLF-LQKURTRISA-N	503.352	5.594	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1c(Cl)cccc1Cl	408884302	WSTFZVYRUJBAFV-LICLKQGHSA-N	512.349	6.343	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1	408887292	NKGQOMDIQGJWCB-RQZCQDPDSA-N	556.344	5.638	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1cc(C)cc(C)c1	408888289	YRDRSXSKYLRDAV-FSJBWODESA-N	519.439	6.816	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1Br	408889418	GMMXUCMKJUALHE-ZVHZXABRSA-N	503.194	5.331	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OCc1c(Cl)cccc1Cl	408889552	FDGLOULUXPVJMY-KKMKTNMSSA-N	532.474	6.433	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408892583	CDYOMPMOOMOSJD-OVCLIPMQSA-N	516.724	6.320	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Br	408899871	RGYFNALLRPDRCE-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)ccc1Br	408904701	NHCCYHGGPNPMTA-CPDSRJINSA-N	557.275	7.952	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904812	PABBUAHEGMKJLR-BCHBDCPOSA-N	607.642	6.862	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(Cl)cc2)cc1	408922669	QIJGZJCYLJHCQE-XICOUIIWSA-N	614.123	6.426	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1ccccc1C(=O)O	408925608	SIXVBPMVCWFNSJ-SGWCAAJKSA-N	616.633	7.427	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408948300	FKQRJFPRXMSKLB-XKZIYDEJSA-N	543.023	5.422	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C(=O)OCC)cc2)c(OC)c1	408952986	LEAAHRFUJQQTFX-LDKHFMKXSA-N	802.473	5.696	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(F)cc1	408953802	YEPNWMHEGHDGEP-YTTGMZPUSA-N	660.768	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)c(OC)c1	408957393	UHQFQACNGHLZAT-AIXDMBCASA-N	731.600	5.919	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Cl)c1O	408971882	LKVIBRURBSSOMY-SYGNGKJYSA-N	578.880	5.396	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c2ccccc2)cc1	408982741	YWHTYVMSPBJDBS-BUSZIJHZSA-N	611.474	5.486	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C(\C#N)C(=O)Nc5ccc(C)c(C)c5)cc4[N+](=O)[O-])sc3c2)cc1	408992449	SAMJHVBHTXIQGZ-BUVRLJJBSA-N	619.728	8.079	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1	409006579	PNKFNKFHRCNUEG-MIPPKSMQSA-N	626.463	6.009	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409014880	LXIYZSYVCRKJEL-ZMGVVAQMSA-N	547.011	5.142	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccc(Cl)cc1	409019459	ZDUVBLQFSFBJHH-JFLMPSFJSA-N	524.857	5.031	50	40	KKGB	
C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1	409043590	RTDSPDCBKYQSTO-XNTDXEJSSA-N	504.178	5.168	50	40	KKGB	
COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(OC)c(O)c(SC#N)c2)C2=C1CC(C)(C)CC2=O	409045324	GGAKGCILYBOEOD-UHFFFAOYSA-N	510.656	5.306	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409065332	KPTMEGMMRFGRRL-CJLVFECKSA-N	537.037	6.089	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409070288	YPMRUJNFYXKXJS-HKOYGPOVSA-N	546.645	5.834	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3C)c(OCC)c2)cc1	409158377	XZAGXVRQKMYJJZ-ATZGPIRCSA-N	659.965	6.095	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccccc4)c(OCC)c3)cc2c1	409187527	ROCXIRWVSHGRFX-UHBFCERESA-N	580.435	5.774	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Br)cc2)cc1	409217698	ABHCSCHZYZCNLE-MNBJERMJSA-N	601.413	5.522	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1	409223859	GBJYXWNMCKQHDH-PKIWBCANSA-N	534.410	5.260	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409231364	CJYSBEGTPOZEAJ-ZDLGFXPLSA-N	588.380	6.348	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)c1ccccc1	409243370	YBGGISGZZMBHEH-SXOHWRJOSA-N	565.265	6.447	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1OCC	409316534	YYVJXLHULSDMPY-WGARJPEWSA-N	573.356	5.619	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)ccc1OCc1ccccc1	409318168	UBMWFYNCFUKDPU-MZFJOGFUSA-N	524.573	5.705	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1OC	409332731	HVOHRQOWUIBWNU-QDTIIGTASA-N	596.703	6.615	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1	409347182	MOZWIIDBLLIIHH-LGJNPRDNSA-N	517.221	5.353	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409370174	MGMIKXQKUKZGNA-DEDYPNTBSA-N	519.985	5.619	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Br)cc1	409372597	MGPSZNZQPPHGBV-ZMFRSBBQSA-N	624.229	5.242	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc2ccccc2c1	409386602	QPTZTBDGTBDXNH-OCSSWDANSA-N	525.586	6.704	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccco1	409395747	RFXGIJHDQYHYPF-UHFFFAOYSA-N	597.252	7.480	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396560	WVOBPIOKHWNVMQ-UHFFFAOYSA-N	676.951	7.650	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccco1	409396665	ZWQIUMCGHQATFX-UHFFFAOYSA-N	709.700	8.608	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409396800	BIQJJHKLTXRJJI-UHFFFAOYSA-N	582.056	7.187	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397048	FOJNMHWFCZUCNI-UHFFFAOYSA-N	617.876	7.658	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397762	NURLNYNLCHHFAA-UHFFFAOYSA-N	616.457	7.252	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409398738	VMEUUJMGCGGCQS-UHFFFAOYSA-N	562.409	7.117	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1O[C@@H](C)C(=O)OC	409402370	JXDORNIBNPNOQF-XVSZARDYSA-N	585.657	5.707	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)o2)cc1	409405284	SOYYMMBPQROQMT-FDUMAKPYSA-N	657.381	9.223	50	40	KKGB	
C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)c2C(N)=O)C1	1254592	BZTGLKAYNPXDMM-OQZOHAQUSA-N	500.407	6.084	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	1258209	KIUBRGOSSJKPOD-RUZDIDTESA-N	519.026	5.948	50	40	KKGB	
c1ccc(-c2nnc(SSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)nc2-c2ccccc2)cc1	1896415	MEPFQMYRQUTXMQ-UHFFFAOYSA-N	528.666	7.524	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1	2670774	KGHMWLAZDLJVOT-RVDMUPIBSA-N	514.821	7.500	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)COc2ccc(Cl)cc2)c1	3116456	NOELMKXZUDIKDF-KKMKTNMSSA-N	580.660	5.922	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1	8443093	HLAKJVSGXQXCBG-DEOSSOPVSA-N	500.624	5.029	50	40	KKGB	
O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H](Br)Cc1ccccc1Cl	11692822	CPBKERAZSGBTJE-AWEZNQCLSA-N	504.664	6.639	50	40	KKGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5)c(OC)c4)CC(=O)N3C2)cc1	12251036	AFRMERNAVPLFHY-RUZDIDTESA-N	511.647	6.056	50	40	KKGB	
COc1cc([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)ccc1OCc1ccccc1	12251038	OQPCOXMGSBQKBQ-VWLOTQADSA-N	511.647	6.111	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(Br)cc1	19849265	KMCXFHOMXQAIEV-IMRQLAEWSA-N	520.456	5.638	50	40	KKGB	
Cc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)s1	19849288	CXBDSIJUECEFRY-CFRMEGHHSA-N	512.458	5.309	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	59417177	QOYHONAOJZBIFU-MUXKCCDJSA-N	503.433	5.577	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)c1	59646149	XYGAREJIAVVXCA-UZWMFBFFSA-N	553.640	5.356	50	40	KKGB	
O=C(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F	80541967	IIYQDKPSLAINNX-MDZRLIFHSA-N	664.080	7.193	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C\c2ccc(OC3CSC3)cc2)cc1	98023327	QONNKMSDZKCNLO-OHUYPAJKSA-N	606.169	6.302	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	100063552	TXDYSYMJELNLMF-BIZUNTBRSA-N	523.430	7.027	50	40	KKGB	
N#CC1=C(SCc2ccccc2)N[C@@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	100090659	JDQCXFCAPNRVGF-LGVFNWMJSA-N	535.012	6.507	50	40	KKGB	
Cc1ccccc1N(C(=O)[C@@H](Br)CBr)[C@H](C#N)c1ccccc1OCc1ccccc1	100151499	QYVIONDQMAYCGZ-JTHBVZDNSA-N	542.271	6.330	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1cccc2ccccc12	100228301	CMNSLBZADMSULH-STBIYBPSSA-N	550.396	6.186	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	101563669	WDNRSRABQVVQTR-MHZLTWQESA-N	564.494	6.805	50	40	KKGB	
CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528126	QXPNCZZAWFIOCO-SECBINFHSA-N	572.187	8.279	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	103841731	PSBJMYSWXQXHQF-BKUYFWCQSA-N	565.386	5.756	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccccc1Cl	103884669	GRSKSXHRVSBIEQ-OOAXWGSJSA-N	542.079	6.302	50	40	KKGB	
O=C(CC(=O)Nc1ccccc1)NN[C@H](Sc1ccccc1)c1cc(/N=N\c2ccc(Br)cc2)ccc1O	104303895	BLPOTYOCUHPVBJ-VOHVUJNJSA-N	590.503	7.011	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	104580236	IJALMSBIEFNTDF-UZWMFBFFSA-N	528.992	5.344	50	40	KKGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	107544839	RRIHATNEWCGJAA-AMVVHIIESA-N	504.373	5.836	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	150385609	JXSBHVOJRFZQOF-AABVJFSESA-N	667.935	6.874	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	150481260	GTVSOOVFULQEDF-FNTLCPBMSA-N	739.703	6.361	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)COc4cc(Cl)cc(Cl)c4Cl)c3C)sc3c2CCCC3)cc1	163786328	ZFDMGDZTZGURKD-PTEHHBOZSA-N	644.024	8.084	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164702073	CLDXTWFPJGIYBZ-UQQQWYQISA-N	725.368	6.884	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	198310351	BVWBLRPRNRINNO-KULFSUQXSA-N	679.504	6.375	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br	408537924	ICBUYWDNDDAHPO-LFIBNONCSA-N	522.237	6.422	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1cccc(C)c1	408552092	HFFKDGKCENNDPB-RGVLZGJSSA-N	609.489	6.545	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1	408566134	DMIPQEOTTPRKRN-ZMFRSBBQSA-N	577.229	5.861	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCC(=O)Nc1ccccc1	408568250	IOAMPELNRIGXGB-SXGWCWSVSA-N	568.346	5.397	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCc1cccc2ccccc12	408599149	PIVBEDPBOQGZAJ-FYJGNVAPSA-N	589.458	7.565	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)CC2=O)cc1	408609837	SDZOMDAHLSIPBD-IBGZPJMESA-N	528.436	5.640	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)c1	408747069	YYLXQCPSHFPIOV-UCQKPKSFSA-N	557.444	7.134	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747189	KGHHRPAQQXWBSK-BJUCDSOZSA-N	663.193	7.484	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)NCc1ccccc1	408747236	KVFOUMREXBUKGA-UWVJOHFNSA-N	664.237	5.427	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1	408759440	FBCYKZDWHHBJKE-FJEPWZHXSA-N	582.360	5.981	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OC	408763142	NPQSYMCFASPGPI-MUFRIFMGSA-N	580.507	6.082	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1cccc(I)c1	408770671	ACWMNUAMMCCJOJ-ZXVVBBHZSA-N	575.472	5.150	50	40	KKGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408779899	NCLJBNRRTHRGFX-UVHMKAGCSA-N	546.874	5.504	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408785984	DBUNDHNDCUCDCU-NDZAJKAJSA-N	546.520	6.335	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	408789205	OMGFCSBEXOLYJI-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408792600	LIYNPCGOROKCCR-YBFXNURJSA-N	602.812	6.166	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2I)cc1	408798651	WKCWWEBACUPREP-SRZZPIQSSA-N	601.282	7.104	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1F	408799007	XOEKEPMQBYVYMX-VXLYETTFSA-N	543.820	7.073	50	40	KKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408807420	CJKAOBQUSJVUIV-NPMDZRKSSA-N	503.440	6.783	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(I)c2)cc1	408814535	FYJBFGMHGNWJQN-JAIQZWGSSA-N	542.348	5.241	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc(C)c1	408817661	YDKRDAKKLIQJGY-IDWIKUEFSA-N	608.536	7.875	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccc(F)cc1	408823839	GMRWBUWRBAKSPA-XAZZYMPDSA-N	594.879	6.534	50	40	KKGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408832014	QVJYYOSOMLWVPJ-FZPRHHONSA-N	643.549	5.773	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	408835786	ZHGBVHDIGYCAGT-DEDYPNTBSA-N	509.389	6.691	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408838881	JRBBGEKXWOZJPN-AABVJFSESA-N	667.368	8.206	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408839129	NMYRWJSIIJGOSD-FABQOPTDSA-N	590.463	6.936	50	40	KKGB	
COc1c(I)cc(I)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408841229	DLMMNYNSNVKXDB-XODNFHPESA-N	694.336	6.844	50	40	KKGB	
COC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408842967	KVQKBACVBFXWRV-RWPZCVJISA-N	500.580	5.178	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408844121	OOBJJSMOJMQZLE-JJKQSNDFSA-N	623.882	7.593	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1	408847098	LIYDTQDIXWBOKQ-XIOXGIFKSA-N	561.107	5.718	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Br	408848022	WOWMUAKLANKUPC-ZHSUKTGHSA-N	614.447	6.811	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408848157	PSCJGQAHUOBCMD-LJUMEUDFSA-N	531.996	5.430	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408855473	DLKHAMOVZZNEEN-ZMGVVAQMSA-N	621.329	7.708	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1	408860008	QQMSUUXHNNOKIJ-FABQOPTDSA-N	655.560	5.674	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408860386	ZRQNOJKCDOTHLT-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)c1	408860399	UTXBEFDJRWVYII-XJECJHNESA-N	617.093	6.729	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Br)C(=O)Nc1ccc(Br)cc1	408886736	IQLLBVNNJZDWIU-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408888961	ABQXAJIEHHDIAQ-GZTJUZNOSA-N	610.313	6.776	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(C)cc1	408889331	CPQJMRMWJDKQJN-MUFRIFMGSA-N	550.396	6.104	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408889484	HHNFVLADALYYNY-YDZHTSKRSA-N	563.448	6.376	50	40	KKGB	
COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)ccc2OC)cc1	408889630	IAMCSOXUQFPEKN-GZTJUZNOSA-N	507.886	5.030	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408896892	UQSKXXVTSMYEJV-LZYBPNLTSA-N	522.215	7.433	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Br)ccc3ccccc23)c1	408901029	ZIXVRGFBDGCXOF-XQNSMLJCSA-N	511.419	7.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408914554	YKLOZYKTFYITJE-HNSNBQBZSA-N	649.485	5.012	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1Cl	408915735	ZSCIIWZWXKMKJP-IPPBACCNSA-N	501.410	6.117	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccc(Br)cc1	408924291	MONONRCHAWFGOT-GIJQJNRQSA-N	601.251	6.562	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Cl)cc1	408950854	SNOSONOKHRHZOP-HKBQPEDESA-N	633.170	5.533	50	40	KKGB	
CCCCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408974472	ZMAPEZGXKLOOEV-XJEOFYLJSA-N	601.369	6.383	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc2ccccc2c1	408983566	MJPFFMPLBVPDAP-CFRMEGHHSA-N	575.890	8.088	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2ccc(I)cc2)cc1	408994985	KEXITHFVTSFGNF-NHDPSOOVSA-N	530.369	5.879	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1	409001520	IVPBXHHCUSMIOK-FDAWAROLSA-N	527.964	5.584	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OCC)c1OCc1ccc(Br)cc1	409011969	IGIGGVLDNNJTCG-VWJSQJICSA-N	738.214	8.033	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1cc2cc(Br)cc(I)c2o1	409012326	QNQGKWVYYFJMNC-OOEWDAAOSA-N	712.980	8.756	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409015836	BUMWCYSHUKIDFG-JEPNHJGPSA-N	567.686	6.040	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1ccc(Cl)cc1	409016808	JHYPJJYFSNIOLW-BVMLUPFRSA-N	568.855	6.158	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409018615	HWLNYKDFCPWHCE-HCBMXOAHSA-N	714.930	5.641	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1	409060408	ZPSJEQTWURVKIT-VCHYOVAHSA-N	548.072	7.617	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	409124069	IYFKICCBXJKXCG-OCSSWDANSA-N	646.938	5.698	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccccc1C(F)(F)F	409158063	XIWWQLPOJOQRDR-RVDKCFQWSA-N	723.273	6.122	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cccc2ccccc12	409180198	UUSAVBHHVHBIQR-IPPBACCNSA-N	617.135	7.470	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	409180432	SNSJZEVNPGUAAL-ZBAUQBKVSA-N	579.631	5.874	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc(F)cc1	409191037	YZRXPXWILLGNES-BRJLIKDPSA-N	506.169	5.694	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409191457	HYEWQJMSMIDFRU-SXGWCWSVSA-N	524.242	6.309	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409223833	ITRCAUNCGWLIMJ-YWQXHRGXSA-N	568.973	5.883	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(Cl)cc5)(c5ccccc54)[C@@H]3C2=O)cc1	409227221	UMFPQVVXYJWKHZ-GXMWNFHKSA-N	546.026	5.615	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(I)c1)c1ccccc1	409241604	KGQLVTJYHYLUPR-GFHXCNCHSA-N	508.359	5.655	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)c1	409257863	QZLCEUXZPPVALY-VXLYETTFSA-N	585.252	6.818	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccccc1C	409263956	DEGBPADGMFOZOT-LPYMAVHISA-N	609.464	6.178	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br)Nc1ccccc1Cl	409267926	WYHPEEKNBWVHPA-RAWMCFOBSA-N	610.646	5.555	50	40	KKGB	
Cc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)ccc1Br	409316943	RTZJUPTUBYVIJZ-MRXNPFEDSA-N	535.261	5.231	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OC	409316972	NBUVPEAFKPBTJI-RHANQZHGSA-N	559.040	5.152	50	40	KKGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(Br)cc3C)=C2C#N)cc1Cl	409335909	QGQAERHXHNXZAT-MRXNPFEDSA-N	534.863	5.439	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409386932	OOTHSBVTPATQIE-UNOMPAQXSA-N	507.949	5.749	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(Br)cc1	409387617	XIAZSABJPVDCGD-LGJNPRDNSA-N	540.395	5.924	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)[nH]c2c1	409391375	IZPSYVYWJNBEHF-IUXPMGMMSA-N	582.354	5.736	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1	409393644	YQWGTOHPOVIVMQ-ZDLGFXPLSA-N	538.829	7.029	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409397472	KFFQYWPLIGVBFC-UHFFFAOYSA-N	606.398	7.599	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409397517	KRWVSDMYECWCKX-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397777	NYISTOVRAAOKAX-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409399307	ZHRAADVVRJWRRU-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(F)c4)c(Br)c3)o2)cc1	409401005	FYCMRXORHMWWJY-RODHXAHZSA-N	650.932	8.164	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	1529545759	BCMRYLWWQHMVLL-PDQWDMBESA-N	692.021	6.119	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccnc3)nnc2-c2ccc(Cl)cc2)cc1	1306891	KHCYTKPXBCWGFP-OGLMXYFKSA-N	507.019	5.014	50	40	KKGB	
CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	1829873	WDYRAZWNIWIXPM-MTDXEUNCSA-N	532.065	6.956	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(SC(F)F)cc2)N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)NC1=O	2670608	POVNVKCUPSYQGG-QHCPKHFHSA-N	557.047	6.397	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C2CCCC3=O)sc2c1CCCCC2	3669391	IICYZOQDUQHQCK-QHCPKHFHSA-N	522.070	6.152	50	40	KKGB	
Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)Nc2ccccc2)N(c2ccc(Br)cc2)C1=O	8717768	GTPDLWWXOGGFQZ-YDYXIROLSA-N	518.436	5.823	50	40	KKGB	
O=C(CCl)Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccc(Br)cc2)cs1	8755003	YZVYSIGVANNAPQ-UHFFFAOYSA-N	552.679	6.365	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1OC	9380335	BCULKRBSJWZNSE-YDZHTSKRSA-N	509.078	5.134	50	40	KKGB	
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1C	13810902	SOZORRTZSILYOF-KGENOOAVSA-N	505.983	5.404	50	40	KKGB	
CSCCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	16158054	OHQASALXFSZQQV-OGLMXYFKSA-N	508.665	5.169	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccco1	16701165	IMKBHONMHSOVKC-JJIBRWJFSA-N	518.548	6.074	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC(C)C)c3ccccc23)c(C(=O)OCC)c1C	34716232	KXUFYUBTIXFZQC-XSFVSMFZSA-N	519.619	6.069	50	40	KKGB	
COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OCc1cccc2ccccc12	53277270	GOXNUPTWPQDPRQ-FOKLQQMPSA-N	563.455	7.198	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)c2C)c1	58915353	MJBJEFCQXGKRGD-NDZAJKAJSA-N	514.651	5.133	50	40	KKGB	
O=C(N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O)C(O)(c1ccccc1)c1ccccc1	97961022	WBHODJFGGCMNBJ-QGHGOCBHSA-N	529.394	5.956	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C(C#N)[C@@H]2c2ccccc2)cc1	98048567	KQOMWKILPYVLNP-NDEPHWFRSA-N	620.653	6.589	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100124116	STMPIMKDPGYJDC-ATZGPIRCSA-N	589.039	6.112	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(Oc4ccccc4)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852178	LWXNLNXICBTMCK-QHDYCIAZSA-N	575.738	7.575	50	40	KKGB	
O=C(c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21)N1CCCC1	101157067	JKDIDVNIQNANCB-PLYVDKPMSA-N	612.977	7.632	50	40	KKGB	
Cc1ccc(-n2c(C)c3c(c2C)[P@](=Nc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N(c2ccccc2)N=C3)cc1	102937929	WRVRGBYLAAPVEU-FAIXQHPJSA-N	545.583	7.564	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528873	JJSUDATZGMKZRS-UWTATZPHSA-N	541.995	6.481	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1c(Cl)cccc1Cl	105200454	YHYNKRYLNASNNV-MHWRWJLKSA-N	546.794	7.078	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(=O)c5ccccc5)CC[C@H]4[C@@H]3C[C@@H](Br)[C@@]2(O)C1	118914095	TZBBEXALLZOART-AXLBWYCFSA-N	533.503	5.675	50	40	KKGB	
CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341470	RVZUHLORBZPWBY-NSHDSACASA-N	700.255	10.330	50	40	KKGB	
CC(C)(C)c1cc(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O	150386501	SGYOHBNXGOZOAE-LTEVTRLRSA-N	662.960	9.009	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cc(Cl)ccc2OC)cc1OC	150474543	KKNWPNCWVSTHDF-ATZGPIRCSA-N	690.016	5.881	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	164736987	CQQFDJUBBYGZOV-NVNXTCNLSA-N	618.085	8.029	50	40	KKGB	
CCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1	408529937	IAFSHZKRDOLWBS-MIXAMLLLSA-N	525.443	6.370	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	408538509	OALAKLSCYZOREB-NVMPUMLXSA-N	556.732	8.066	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1	408543605	PFXVXYXTLGHESF-IDUWFGFVSA-N	512.305	5.724	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408544071	RQDWWJVXNXGANM-LSCVHKIXSA-N	694.219	5.417	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2I)c1	408550028	CSMKCIHBMMWKNI-UDWIEESQSA-N	579.463	6.536	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1	408570511	WDWXGHNBWIUBGC-CCVNUDIWSA-N	577.953	6.689	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408580437	PNLQTLJLDZTPNB-VXLYETTFSA-N	515.824	7.436	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1Br	408602217	BBPOUOKIHKSVKP-DEDYPNTBSA-N	545.437	6.423	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1	408612172	XVFGRHDZOWJXIB-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21	408655336	RONKJOMGKLSNAU-NSEXGNSCSA-N	533.839	5.428	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccccc1Cl	408711996	UNYHVVWSYQGASY-UVHMKAGCSA-N	613.677	6.449	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cc4ccccc4cc3O)c2-c2ccccc2)cc1	408740939	FGVZAZSPQTVSQX-HWLOXFRGSA-N	551.646	7.833	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1	408745440	SHAPXJHDOCXGBV-NVMNQCDNSA-N	555.812	6.355	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2I)cc1	408745715	VATYLYHOIWATKV-JAIQZWGSSA-N	634.255	6.637	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)ccc1I	408747423	NRCYVPYAKGPEQC-OKCVXOCRSA-N	559.407	6.220	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408747489	ORHOPYCQXKTJEH-XKZIYDEJSA-N	592.287	7.498	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(I)cc1	408747785	SXSCPWIZNGRZAP-PDGQHHTCSA-N	589.227	6.187	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)c1cccc2ccccc12	408761469	DWGNBOKXYLYUTR-CVKSISIWSA-N	554.378	5.042	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc(C(C)(C)C)c1O	408763203	OGJUDNWPDIDMLS-HNSNBQBZSA-N	565.552	7.412	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408787361	YOJIHIMUZLUWNC-WQRHYEAKSA-N	529.793	6.765	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Br)c2)cc1	408801767	VQPXQDKAADPTLF-HYARGMPZSA-N	505.412	6.589	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408808389	GBUDJJOUDNQUCU-CPDSRJINSA-N	612.274	6.727	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2I)cc1	408812521	NHIYZBBHENIALQ-UNOMPAQXSA-N	512.322	5.863	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	408815225	RVDXEQPHZSIPGD-PSVUBMJASA-N	550.999	5.223	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)cc2)cc1	408834258	USITYDLWIRDNFT-ZVHZXABRSA-N	577.895	8.659	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)cc2)cc1	408836958	XGMIFBTUKKYQCC-ZVHZXABRSA-N	577.895	8.659	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408861057	LWJMCQVFDWJMDG-BIZUNTBRSA-N	579.078	5.058	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc(Cl)c1	408866139	FWWGYKKCYXYVHT-RQZCQDPDSA-N	515.766	6.375	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1Cc1ccccc1Cl	408867008	JMUWTOUEHOINBV-VCHYOVAHSA-N	577.249	7.052	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)c(OC)c1	408871123	VZSMXFXHFVBLOY-KEBDBYFISA-N	602.400	5.258	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408871606	HPDAMVJBMQGTKT-NNLKUIAGSA-N	658.607	8.040	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408872577	GRAKSVWGHFAGGT-UZWMFBFFSA-N	606.060	5.236	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OC(=O)c1ccccc1	408886229	FNVYIYLOCDYQNE-RDRPBHBLSA-N	532.394	5.622	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1Br	408893227	GEISSXWKSZNXML-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	408938970	ASXOXXPYEQPBAE-WJOKGBTCSA-N	664.615	6.190	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccccc1F	408955959	VJRXPRQZFPRJBT-XKZIYDEJSA-N	609.439	6.155	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OC(C)C	408970471	IRWCCCNECABGTM-ZNWXSYLFSA-N	542.891	5.883	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408971447	ONJZFDXIGUVHGD-VHNYRUABSA-N	669.403	6.980	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)ccc1OCc1ccc(Cl)cc1Cl	408974028	VEMLGLKEHJFCAC-WXMAUWIXSA-N	530.437	5.630	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1	409004348	BZIUAWJOMKDHNM-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccccc2)cc1	409026539	RQVGKIMYNMSWAI-NJZRLIGZSA-N	527.646	5.174	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409030323	FJYOZAFKHZFDSO-JFLMPSFJSA-N	521.440	6.479	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1	409041955	LLIVCZYZPYTRKO-VCHYOVAHSA-N	501.797	7.170	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409047094	MZIBRTJJHBSANZ-DZTBVWFESA-N	510.259	6.611	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	409047316	UAMJHYQWNZHWGD-CVKSISIWSA-N	610.233	5.558	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409090367	PEWAEBFHQKOCLI-RIYZIHGNSA-N	627.288	6.704	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccc(Cl)cc1Cl	409105517	IFFBNXJWCAJAME-XMMPIXPASA-N	637.257	6.523	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)ccc2C)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409122048	WXDATDYGFMOJNQ-ATZGPIRCSA-N	638.146	5.935	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)o1	409165509	YVUJTFJMPLIXAH-YDHBKFOLSA-N	517.369	5.375	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CCCOc3ccc(Cl)cc3Cl)o2)c(Br)c1	409170464	UXGLGQYVKQGKGH-LGJNPRDNSA-N	510.215	6.634	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C	409176280	ZUQFOCGCARDAQQ-XAZZYMPDSA-N	615.912	5.533	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1OCC	409183391	BSYZFMYNXBBKGA-GZZLJNBRSA-N	511.666	5.869	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OCC)c3)cc2c1	409186938	JVKYPUPWHHFHQE-MNDYBZJGSA-N	571.855	6.989	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409220277	VZSUVHWUCNKNST-UHFFFAOYSA-N	601.240	6.584	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)/C=C/c1ccccc1	409221700	ABJSAOSRYVPIFP-SCPBZUFKSA-N	598.055	6.382	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409223624	HGSAXTXVCDGUJL-DEDYPNTBSA-N	534.410	5.719	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1	409224449	LNZSGRZUZJQXLS-WPDVCKPSSA-N	543.963	5.577	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1ccccc1	409247637	DZAAEVZXWNVXPT-LPANUZLBSA-N	501.413	7.510	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409258812	XSIGIZHHFXIQNR-AEVGBRMKSA-N	654.192	7.922	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1OC	409302523	JBAVDBUMACRTMG-NUJZUDFISA-N	619.310	5.709	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1OCC	409303469	NBBWITIPTKROJG-LJUMEUDFSA-N	545.463	6.923	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCCC)c(OCC)c2)cc1OCC	409313412	OMVURKNEKBADPZ-QQXSKIMKSA-N	552.409	5.206	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)ccc1OCc1ccccc1	409316610	YXNWQAXWTFDIJJ-KMUKQRDJSA-N	668.503	7.150	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCCOc3ccc(C)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409317297	OUOPSPWCEZLWLN-LEWJYISDSA-N	535.449	5.251	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1OC	409319273	CSTKSCHRKIALCZ-MUXKCCDJSA-N	621.282	6.260	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC	409337245	XMARASVAOHXVRX-FDVSRXAVSA-N	517.460	5.967	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(Br)c1	409370231	NGKSQSGGKGLBBT-ZMFRSBBQSA-N	599.732	5.206	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1	409373647	RTQHLGPZBLZNFW-AMVVHIIESA-N	680.255	6.540	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409394800	GAUHWYBBWBRMFO-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409395331	MIUFJKPDVAJECD-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409395413	NHCVSABRZSWHHR-UHFFFAOYSA-N	674.395	8.618	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409395496	OHYMMVYELDHYBW-UHFFFAOYSA-N	650.360	7.953	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409396577	ZDBUHWZHUPYGGF-UHFFFAOYSA-N	684.896	8.651	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397821	OKLDQZMJCJKXHA-UHFFFAOYSA-N	698.344	8.128	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409398668	VCCABQFHXTYVJP-UHFFFAOYSA-N	626.418	8.152	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409401464	HDFPIJLGIXGPQW-KOKCXWAISA-N	685.575	7.127	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)c1C	409410633	YXYZYLUUYOHZBO-FZKWRIDDSA-N	534.660	7.054	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1	1529545772	BHPBJJQHGNATFC-MKEMXLLOSA-N	781.442	5.657	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccc(Cl)c(Cl)c1	1529548978	RJMTWQNRRVHQEU-CKMXFPERSA-N	832.342	6.825	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1cccc(F)c1	1531386420	LKNAMQGRBXEUPJ-WBIBEUCMSA-N	610.642	6.195	50	40	KKGB	
COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	1817396	CWCBLZNODRJOMZ-SDNWHVSQSA-N	508.353	5.442	50	40	KKGB	
O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	2097005	AWQBUEPRFWPCNP-KPGMTVGESA-N	561.498	6.582	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	2246166	KNLOCORNTCJCHA-LSSXRZCCSA-N	519.736	7.793	50	40	KKGB	
CCCCCCOc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)cc1	12562660	BKFZNJJUANWLNA-XHLNEMQHSA-N	523.655	5.609	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	28627718	AMEZCSACEIBJDS-LJAQVGFWSA-N	522.674	6.264	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	59335233	UIEBHBMXZGBLBB-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	95671160	BEQLOSVHRBTANS-ZCFIWIBFSA-N	530.106	7.109	50	40	KKGB	
C/C(CC(=O)Nc1cc(Cl)ccc1C)=N/NC(=O)COc1cc(C)c(Br)cc1Br	100030148	WUTOIZXHFAAUSB-MXAYSNPKSA-N	545.659	5.382	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	100118382	VDQMUCSMBRRXIM-FDALDRLYSA-N	629.157	7.354	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	100228682	GTYWOPTXUFKPOS-KEIPNQJHSA-N	617.724	5.336	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2C)cc1	101040553	OJJBMCDPXDCGHQ-GOHCDNDPSA-N	522.457	6.675	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	102808075	VIYGQOSXARJFKG-RUZDIDTESA-N	552.578	6.313	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3CC)=C(C#N)[C@H]2c2ccco2)cc1	102808350	PFRQMMKFAVMWLQ-NDEPHWFRSA-N	542.661	5.947	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	102932903	SKHDSXHBVUQMAX-PDGQHHTCSA-N	576.790	6.929	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)c2ccccc2Br)cc1OCC	104402233	PFZWXNYDPVDWRK-WSDLNYQXSA-N	531.188	5.005	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccc(C)cc2)cc1Br	150364107	PDQQLHRIYAPCBZ-FABQOPTDSA-N	683.556	5.268	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	162480222	BSKVZICGBCQMON-XKJRVUDJSA-N	649.778	5.913	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(C)(=O)=O	162481070	MDAKVBHISTYBFR-VFLNYLIXSA-N	645.359	5.268	50	40	KKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	408537196	CREYEVCTZAVDEF-GTWSWNCMSA-N	512.679	7.585	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)ccc1OCc1ccccc1	408538582	ACBOXOMIAWEYLW-BJUCDSOZSA-N	658.774	7.796	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1	408540080	MVBIOMGOZIMWNK-IWIPYMOSSA-N	559.449	7.706	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)cc2Br)c1	408544942	WGIZJROEYADRBE-JMIUGGIZSA-N	527.212	6.861	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c(C(=O)OCC)c1C	408546523	KOXNKRIHOPXSLH-CIAFOILYSA-N	582.074	6.370	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C(=O)OCC)c1C	408546964	PSNICNWDDLWHDM-FOWTUZBSSA-N	522.535	5.297	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552604	RKUSBKPYLBTIDZ-BCHBDCPOSA-N	551.770	5.345	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553370	VNEBFANYAAGXMB-VKVKMMGJSA-N	662.393	7.368	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OC)c1OCc1ccc(F)cc1	408567967	HEXROSKLLZGGLW-KBVAKVRCSA-N	552.693	6.150	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccccc1F	408570804	YUHUMSSLWDMEAX-MFOYZWKCSA-N	557.338	6.488	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1	408580291	NYBZWXUPYNDMKA-OVCLIPMQSA-N	602.131	7.659	50	40	KKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(F)cccc3Cl)c(Br)c2)c1C	408607449	DAAASEFOOZJTOD-KVSWJAHQSA-N	532.797	5.526	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408641699	LCCWWUGXQBCBHZ-XLIFZOOWSA-N	645.175	5.934	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(Br)c(Cl)c1	408688529	QQTHYMXWUIKGNX-RGCFKVTRSA-N	588.669	5.012	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3ccccc3)c3ccccc32)c(C)c1	408729153	ATLRYQGFUCARDZ-YUDSARSASA-N	525.608	5.270	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(OC)c1	408744671	ZFKPQVLXDQZWKK-YRRMYEEHSA-N	542.683	7.430	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408764961	OEJOLQXFHRZIDG-IPPBACCNSA-N	632.398	5.088	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1	408768878	KUBITBCDCOQCEQ-VFCFBJKWSA-N	568.633	8.052	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1	408772656	GOGCJGSDRPGSGG-ZXVVBBHZSA-N	528.472	5.056	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(Br)c1OCc1ccccc1Cl	408780750	JMZKTFLPNBAHJU-RGVLZGJSSA-N	555.856	7.023	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1	408798306	VYYPULUVLDSCGB-YDZHTSKRSA-N	531.395	7.058	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408825299	BCCCKMNFQBFSAY-WCMJOSRZSA-N	570.498	6.358	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408837046	YFULNWSLWOJRIW-CVKSISIWSA-N	587.503	8.404	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408838445	WFWPTYTYBLGLNB-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)cc1[N+](=O)[O-]	408840043	XCHROVQSHJGTNI-KPGMTVGESA-N	585.089	7.595	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408844780	WNRDHCGRZMWHIQ-FDAWAROLSA-N	547.599	5.538	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(I)cc1	408846148	QTSWYMGUBXWTAU-KULFSUQXSA-N	787.905	9.316	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408848239	UXQMLCNUIIZKLF-KBVAKVRCSA-N	589.515	6.799	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Br)cc1	408865706	DOEFLCGLFRLCGD-QDYZPQLESA-N	550.291	6.076	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(C)cc1	408871300	YPKRPWIIDZFERG-RGVLZGJSSA-N	559.382	7.300	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1Cc1ccccc1Br	408872337	DICYCDLGQXLJJZ-WOJGMQOQSA-N	605.245	6.728	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2cccc(Cl)c2)cc1	408873207	ONDJWOMCWMMRSC-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1Cc1ccccc1F	408875240	HVCIJCBTCSRTKF-CIAFOILYSA-N	507.403	6.740	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408879781	FLGISHKZCGAJED-GKVNEZTPSA-N	650.757	5.955	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1	408885714	FHKRHMGDRPPCKP-GHRIWEEISA-N	530.389	5.265	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OS(=O)(=O)c1ccccc1	408888153	SVMGHZXPLNMHQQ-WOJGMQOQSA-N	633.420	5.220	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1ccc2ccccc2c1	408889194	FLSGMDPBQWTEDX-WGOQTCKBSA-N	509.381	5.134	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)c(Cl)c1	408889234	BAWTZBVAWWPMRI-RQZCQDPDSA-N	546.794	7.078	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)ccc1Br	408904198	GHIADOMGEQDFCY-MWLSYYOVSA-N	578.492	7.380	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904350	IEBJNTQPXPWABV-RAWMCFOBSA-N	618.194	6.117	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1O[C@H](C)CC	408904842	PKQJGXGRVNNVFE-IFUVNARDSA-N	504.337	5.443	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408951646	MFPHFCHZYTYGQT-JAIQZWGSSA-N	535.387	6.228	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(F)cccc1Cl	408971877	LJVGGFOMNFOTRJ-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1cccc(C)c1	408977487	DSSHFPAJJWISOM-IHMSYIQPSA-N	561.679	5.533	50	40	KKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1C	409008870	NXUILTFZSBHIDO-LUOAPIJWSA-N	620.241	5.978	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409016069	UJFROOCCEWAVGF-VWJSQJICSA-N	703.327	6.968	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1O[C@@H](C)CC	409017412	ZNVBVHVXTKLBEM-QOWQLIIWSA-N	540.785	6.031	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1cccc(C)c1	409033972	MNBHRBOGNFECDM-ZXSNDDASSA-N	515.613	6.952	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2cccc(F)c2)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409039658	HGHXKMNHTJBQGL-KCSSXMTESA-N	522.605	7.036	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	409049070	VUQFJVSPUZQUCY-YBFXNURJSA-N	604.320	6.450	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	409066091	JXTIOOPTIVDCRJ-XDHOZWIPSA-N	531.371	5.440	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Br)cc1	409072707	RWDIFYDXNHIIBL-LGJNPRDNSA-N	599.732	5.206	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)ccc1OCc1cccc(Cl)c1	409139970	PJVMHFCJNWQPDS-VFLNYLIXSA-N	537.896	7.008	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(Cl)cc5)(c5ccccc54)[C@@H]3C2=O)cc1	409142684	FPXMAXCZNMIRKV-KUAZKQCOSA-N	560.053	5.544	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc5ccccc45)c(Cl)c3)cc2c1	409186365	AZSXZSHWCAYKNV-ZMGVVAQMSA-N	533.411	7.634	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)c(I)c1)c1ccc(Cl)cc1	409191962	RDPUOKKOLKAXRI-BRJLIKDPSA-N	508.718	5.427	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409219256	KNQXOWLGCVVABO-SJVPTJMISA-N	629.025	5.900	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1F	409244449	CVWOBSOQEKUCDC-FPJJECCMSA-N	523.402	6.350	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409258199	UDSLBGFUHRHNJU-JAIQZWGSSA-N	538.431	6.572	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1C	409261628	CCTGKGQDKBEFAH-FBNOCWMFSA-N	510.421	5.692	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(N)=O	409263017	LDZOQWBCIJRVFY-PNQUVVCRSA-N	570.458	5.497	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1OC	409302231	IFGQTAIZXARVBL-FDVSRXAVSA-N	500.954	5.628	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)ccc1OC	409302806	KSSZQPOXFPGVOG-BVMLUPFRSA-N	574.461	5.889	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	409310172	ROOYSYCMXXRNPU-VULFUBBASA-N	626.232	5.176	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1OCC	409315206	UPMLUXYEOCOMLX-MWLSYYOVSA-N	590.312	6.742	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)cc1OCC	409322699	KOJZHIAFZOOAMA-UHBFCERESA-N	604.339	7.050	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1	409366197	YSICNXIMNQYLNE-MBTHVWNTSA-N	562.835	5.787	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)c1	409368836	PDUPRCXPFVDJGX-PPOKSSTKSA-N	515.613	6.901	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)c1	409396249	XHFIVOCBDCGJGE-UHFFFAOYSA-N	647.323	7.352	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396414	POIMZGGNAQSICI-UHFFFAOYSA-N	697.451	7.840	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409396687	ADCCDOGXTFNMKO-UHFFFAOYSA-N	568.029	6.797	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(C)C	409398200	BVPHGXJSONXKSH-LQNQUEJISA-N	501.583	5.826	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409399235	YNGAFNKGKDIPRG-UHFFFAOYSA-N	556.449	7.742	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc(C(=O)O)c4)c(Cl)c3)o2)cc1	409399979	AQJQMFHIBWTMMC-AEUUOICLSA-N	598.055	6.961	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409400839	FRVYBUQJGIOXKW-UHBFCERESA-N	593.434	6.266	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4C#N)c4ccccc34)o2)cc1	409401649	HXVZDLSKNSVLEJ-GLJXUZQSSA-N	581.676	7.213	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(OC)c1	1529546749	HGMRAZWQYJNUPK-MWKDUONYSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	1529549211	VJZQACLUZYBMSY-VVYBVRPNSA-N	783.472	6.071	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)cc(Cl)c2)=C(C#N)[C@H]1c1ccco1	1270814	PWBIYSDMJMEGEP-VWLOTQADSA-N	569.470	6.302	50	40	KKGB	
N#C/C(=C\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	1816006	LMSQRSMGKGWDGU-JLHYYAGUSA-N	586.345	6.781	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1F)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	2327464	YEOQTKPIKMKJOC-BKFIETJDSA-N	512.393	6.197	50	40	KKGB	
Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl	2395480	AKPGMVCBGRJSKP-LTGZKZEYSA-N	581.032	5.101	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1	2670916	VUCVBKFPJSBFRK-UDWIEESQSA-N	530.436	8.000	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F	3089210	SEQWPDHJPZOCDP-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
CC/C(=N\NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(Cl)cc1)c1ccc(O)cc1	12464088	HNOIVFDGMAKHHB-WEMUOSSPSA-N	522.030	5.325	50	40	KKGB	
CCOc1cc([C@@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(Br)cc1OCC#N	97959931	DUADNVSFVGJIDO-OSWMTFESSA-N	534.458	5.616	50	40	KKGB	
CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1c(Br)cc(Br)c(O)c1Br)CO2	97964142	OSDHLLMZCUZNFG-CGIVQFLASA-N	591.094	5.267	50	40	KKGB	
N#CC(/C(O)=N/c1cccc(Cl)c1)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	97971137	CFXTYOHRRFSZPO-MDVMQCDRSA-N	528.848	7.361	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1ccc(Cl)c(Cl)c1	100130754	QWIANNOEZDHYRA-KBKYJPHKSA-N	525.299	6.547	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	100186413	QSRQNSZCENLINB-ZRGSRPPYSA-N	597.101	6.326	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)cc1	100240164	USALTAYKZCHIMS-ZCTHSVRISA-N	565.095	5.492	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)n2-c2ccccc2)cc1	100342428	SIJSBRXGXYUAFZ-RGXNXFOYSA-N	549.656	5.764	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	100351200	DKPWWIAWPNFKBV-GOJREDGKSA-N	606.748	6.571	50	40	KKGB	
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)N/N=C/c1c(O)ccc2oc3c(c12)CCCC3	100463345	DSYRNPZDMQYXEE-XZYGTATASA-N	558.663	6.860	50	40	KKGB	
CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)C1=O)=C\c1ccccc1	101007805	AKHOBROSZCYXEL-NTTDJHBSSA-N	571.724	5.655	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1OCc1ccccc1	101513905	AAGJYWDBVQENLU-CCVNUDIWSA-N	571.149	6.314	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)c1	102634241	HSCJGEQTTUQXAB-XZCYHHARSA-N	550.851	7.848	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882990	ZEIOSLXKYQEHTE-BKUYFWCQSA-N	581.854	5.845	50	40	KKGB	
BrCc1c(Br)c(CBr)c(Br)c(CBr)c1Br	140852873	ZXAWPXINCIZGEV-UHFFFAOYSA-N	593.571	6.659	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	150433922	IQRJPCICYHVACZ-DPNNOFEESA-N	645.634	6.867	50	40	KKGB	
c1ccc2c(O[Si](Oc3cccc4ccccc34)(Oc3cccc4ccccc34)Oc3cccc4ccccc34)cccc2c1	195756282	PMEDJXLAXHSLGG-UHFFFAOYSA-N	600.746	10.351	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1	216066524	YTIBOKZEXBFQPR-MUFRIFMGSA-N	529.406	6.119	50	40	KKGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/c1ccccc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	252493445	NCEXMUAFMLUMDU-UHFFFAOYSA-O	538.611	6.256	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccccc1	408538663	BHEKHROHUJMASC-MZFJOGFUSA-N	559.460	6.309	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)cc1	408539298	VENBSPGZVYZBQQ-WGOQTCKBSA-N	599.083	7.460	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1	408543589	PACUMJMDBBDZSB-IUXPMGMMSA-N	501.753	6.470	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCC(=O)Nc1ccccc1	408544059	ULOWIHFRIHPZGT-ODLFYWEKSA-N	564.392	5.109	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c(C)n1-c1cccc2ccccc12	408592489	YOLSQDVHCDQQSN-RWPZCVJISA-N	522.390	5.414	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408608626	HXFPXNOQEIXVEQ-OKCVXOCRSA-N	544.435	5.849	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408642830	FHQSLTTUXGBSRP-WJNKUABFSA-N	749.239	6.231	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	408643528	GCVVSBZDDGJQQJ-OPYAIIAOSA-N	539.818	5.545	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)ccc1N1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O	408647456	JGTCNTHULGFEIE-NTKDMRAZSA-N	558.845	6.001	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(F)cc1	408740930	FDSKTRFTWIJRRN-WQRHYEAKSA-N	528.321	5.564	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OCC)c1OCc1ccc(Br)cc1	408745944	BDXBOALPHNKACK-FADJLKOXSA-N	599.525	6.542	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408759306	BXJQAEBBAHIWNA-PXLXIMEGSA-N	543.557	5.460	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1Br	408762931	NCZZUQCLGYRVIQ-WZUFQYTHSA-N	519.020	6.463	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(C)c(Cl)c2)cc1	408777455	ZTXGWYPXOHSUJT-HNSNBQBZSA-N	556.087	6.609	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1cccc(Cl)c1	408802491	FNEPNMVRIAEMDB-YBFXNURJSA-N	588.829	6.477	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408805918	IHJMEWMOKLOADI-CIAFOILYSA-N	568.411	6.137	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(C)(=O)=O)cc1Cl	408824980	BXXUGYPJQIJDSJ-PNQUVVCRSA-N	679.804	5.922	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OC	408831456	QULVWTKCZSVESU-XSFVSMFZSA-N	507.384	5.981	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408832304	SPUWBKXUWMSPQQ-QLQYKETESA-N	718.630	5.180	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408838972	LATFOVXIBDAPRO-AIMOZCANSA-N	812.507	9.728	50	40	KKGB	
O=C(NNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408840286	AGRHAOGCXPMYBF-UHFFFAOYSA-N	630.447	6.566	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)c1ccccc1	408844311	NGYWULJECWILRU-ZCTHSVRISA-N	552.543	5.229	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408847739	UHHVOJVNAXVOJO-AABVJFSESA-N	635.946	8.452	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc3ccccc23)cc1	408857152	MZTAGCGZASYERS-LRIZEKIPSA-N	614.543	8.711	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Br)c2)c1C	408869607	SRLVQLFMISMLJV-CIAFOILYSA-N	524.256	6.965	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1Cc1ccccc1Br	408884477	UGPMOPFCJMRWQI-VXLYETTFSA-N	588.727	7.709	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OCc1cccc2ccccc12	408887483	OUCUIASTIHBSLQ-HYARGMPZSA-N	560.391	6.578	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OS(=O)(=O)c1ccccc1	408888721	ZPMPJSDNTXDJEL-OVCLIPMQSA-N	688.283	6.218	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccccc1Cl	408896159	POXNBFZNLPXMOI-LICLKQGHSA-N	623.672	6.840	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OC(=O)c1cccc2ccccc12	408896617	SLCCDEILYYMOEN-LQKURTRISA-N	550.352	5.436	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1ccccc1Br	408899134	ZKCXVWNHGUFPCM-FYJGNVAPSA-N	631.308	7.139	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(F)(F)F)cc2Br)cc1	408924765	OIWUWPHSBVPXGS-SFQUDFHCSA-N	608.392	5.740	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924992	PWLBJCOWKRSCQI-LICLKQGHSA-N	651.866	5.225	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OCc1ccccc1C	408926213	WELPPDKGWKUSQP-RGVLZGJSSA-N	664.281	6.728	50	40	KKGB	
O=C(N/N=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1cc2cc(Br)ccc2o1	408939190	IDFXRHZWBBNOFA-FDVSRXAVSA-N	544.361	6.600	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc(C#N)cc1	408940330	CDPDKQBVMSVHGU-MUUNZHRXSA-N	835.462	5.231	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)c(OC)c1	408952462	KIXVENYXVBEIAR-VOSMKULASA-N	764.855	6.173	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)c(OC)c1	408958151	XJANOGYMLQZHKH-WQQORDOHSA-N	685.561	5.700	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408969176	IPDCJVDJIDXTLE-IJRAPWFDSA-N	703.848	7.633	50	40	KKGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1	408969746	SYQFOIGQSZQSHL-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408969949	XNEQTWHQZQYDRZ-WEGLJZOASA-N	738.293	8.287	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c[nH]c2ccccc12	408970638	JNTJHCVQIXKUFM-DFDRQFMSSA-N	523.420	5.120	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1cccc(F)c1	408983586	MNOYSBHIWNJCNY-VCHYOVAHSA-N	529.793	6.683	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1I	408984231	QBXDHDUKEIYDCR-QPEQYQDCSA-N	592.602	5.802	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1Cl	408985900	YRLWEVZIFGSVQP-NHDPSOOVSA-N	610.733	8.451	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5Cl)cc4s3)c([N+](=O)[O-])c2)cc1	408993297	VLMYJNBDYJPQTO-XSFVSMFZSA-N	626.119	8.116	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)cc1	408996203	GTMOXWZPLOPUKA-HWIUFGAZSA-N	637.600	5.639	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	409019908	XYKVHOJNFDKJMK-XDDOJYDASA-N	579.528	6.445	50	40	KKGB	
C=CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	409031041	GJZJZYACVRXDJG-MUFRIFMGSA-N	503.027	6.844	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2I)cc1	409037642	YCQQFDQQKMUVBG-ODNPBWNPSA-N	781.388	7.631	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(C#N)cc1	409039347	QMLSCYQXZQJXRR-XZYGTATASA-N	547.014	6.778	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409043075	POCDTMRBDKGJNW-CIAFOILYSA-N	548.437	5.946	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409078022	HHBCWIVORLXSFJ-ZRGSRPPYSA-N	523.214	6.499	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	409109995	PCWYJBIEKKRMIP-IPPBACCNSA-N	584.909	5.395	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409135208	VQLICQNXKZRUTR-RUZDIDTESA-N	551.474	5.827	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409148523	ZEWYFEXDYNHIDU-VWLOTQADSA-N	540.035	5.449	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(Br)c(C)c3)c(OCC)c2)cc1	409156288	NQEZCWHWDRUDCQ-KPGMTVGESA-N	690.389	5.814	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2C(F)(F)F)c(OCC)c1	409168118	KHEZXIYHRPRPRZ-ROPCREHHSA-N	651.436	5.372	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(I)c3)cc2c1	409187848	VAXBLIPQNGEBEJ-DBFSUHOCSA-N	653.698	7.195	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409217005	NDHZISWOXMDKQJ-APSNUPSMSA-N	583.063	8.070	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CCc5ccccc5)(c5ccccc54)[C@H]3C2=O)cc1Cl	409218727	GOFFTKWMHQOTLO-ZEFINFEPSA-N	574.080	5.934	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409262472	HGBAFDAITXIWJN-ZTPJUAHUSA-N	610.936	6.312	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1C	409263798	CBIOTBXBXLJWQB-VCHYOVAHSA-N	599.279	6.097	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1OC	409314468	RKJZYJJNAZOLAJ-NUJZUDFISA-N	566.279	6.896	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409315173	IMIGGAQFKUPEJF-NHCUHLMSSA-N	613.317	5.264	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1OCC	409315459	VNZPTGAXYLIIKJ-LQNQUEJISA-N	522.001	5.393	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)cc1OCC	409395015	IVNNLTNYFFMWPZ-UHFFFAOYSA-N	651.517	7.250	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccccc1	409395310	MDPWNZFBNPAHLM-UHFFFAOYSA-N	701.802	9.150	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409395726	QZZCUELSAWUSHI-UHFFFAOYSA-N	734.659	9.612	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(OC)c4)c(OCC)c3)c(-c3ccccc3)c2c1	409396498	TYCBAUNUQAGVCK-UHFFFAOYSA-N	577.637	6.624	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397298	IKVVIVVGZUHLDT-UHFFFAOYSA-N	607.619	5.963	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397308	IMKFVCOCRJEXMU-UHFFFAOYSA-N	588.063	8.023	50	40	KKGB	
COC(=O)[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409405293	SPMMOMBXNQGKAR-KUVSIYKGSA-N	594.462	5.733	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	1529544719	MKWJDMUGIQAADR-UUTVKSQHSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	1529546661	GGXBJMTXVKJZMD-OUIUOFGZSA-N	674.621	5.646	50	40	KKGB	
CN([C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)[S@](=O)C(C)(C)C	1857795010	GNDCRVNANIQGDH-RMFJNISASA-N	753.789	10.397	50	40	KKGB	
Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O	1790649	XFMXCNCQBIPHDA-YMGIJWJESA-N	508.430	6.367	50	40	KKGB	
O=C(N/N=C/c1cn(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c2ccccc12)c1ccccc1	1830166	HUYOGDJDXJPCJV-VTNSRFBWSA-N	537.044	6.888	50	40	KKGB	
O=C(N/N=C/c1cc(Cc2ccc(O)c(/C=N/NC(=O)c3ccc(Cl)cc3)c2)ccc1O)c1ccc(Cl)cc1	2165474	QIYJVUIMDQBUDH-CBLSGYJOSA-N	561.425	5.523	50	40	KKGB	
O=C(CN1CCOCC1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	2315534	OUDBXERAHVQLHU-AJBULDERSA-N	543.465	5.356	50	40	KKGB	
O=C(COc1ccccc1C(=O)N/N=C/c1c(Cl)cccc1Cl)N/N=C/c1c(Cl)cccc1Cl	3663121	XYEYOVWLWDQXFW-VBNCLUCLSA-N	538.218	5.593	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1)N2	6074184	VXGPQPGYHSWFFF-CIHKHTDDSA-N	513.446	7.489	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)cc1	8429990	KLYNMBIBVAZPNW-HHHXNRCGSA-N	510.619	5.402	50	40	KKGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1O)[C@@H]1CC1(c1ccccc1)c1ccccc1	13305499	YJULOOZGDCUFEL-ZNXJRTHMSA-N	514.217	5.374	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1	20060208	JYEOHVOBZRWBMV-LGJNPRDNSA-N	510.830	5.377	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CSc2cccc3ccccc23)ccc1OCc1cccc([N+](=O)[O-])c1	28616202	SDPYQSHDSZIGMG-RHANQZHGSA-N	515.591	5.968	50	40	KKGB	
Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c3ccccc32)c1	59336644	XPZCUBCNIZEFHX-AQTBWJFISA-N	503.389	6.441	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	59646907	SDRFIKPJSDSKJS-GUBAARJWSA-N	624.162	7.387	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(Br)cc2)cc1	59647232	BRYHXOSOMJYBQN-BIZUNTBRSA-N	586.511	6.410	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)ccc1I	97960863	YIYXVDPXYHGBNB-ORBVJSQLSA-N	712.991	7.475	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)ccc1OCCOc1ccc(F)cc1	97980724	WUEUVBLFKRAZSO-QNKGDIEWSA-N	607.660	5.256	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(OC(F)F)cc1OC(F)F	97980841	WDJUYLGRGALPRW-BJUCDSOZSA-N	527.474	6.171	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2Br)cc1	98001666	MSFSNDQVWLCDCZ-AABVJFSESA-N	723.300	8.436	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2I)cc1	98001681	AZYBPQRRCBSSTH-AABVJFSESA-N	770.300	8.278	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(O)c(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N2)c1	98048764	NACVULPENSAQSI-NDEPHWFRSA-N	556.644	5.116	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc3ccccc3nc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	100136641	NNRRVQIQHQPBNZ-RWPZCVJISA-N	527.433	5.196	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1ccccc1Cl	100326013	HAEZOVIMMAFYLF-RAWMCFOBSA-N	568.649	5.922	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	100398572	GGTYPLKZSOKWJC-WFXMLNOXSA-N	556.273	6.060	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1Cl)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100846885	YWHIKYMVAUFSQK-UTDQILSNSA-N	538.854	6.167	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccccc3Cl)n2-c2ccc(Cl)cc2)cc1	100852806	FIUBSHXXTGNRLE-NTFVMDSBSA-N	526.449	5.882	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1cccc(Cl)c1	101465755	WCTQCLKWGYSUPF-SRZZPIQSSA-N	539.857	7.243	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	102808843	YDKKKKAJVVCVKO-LJAQVGFWSA-N	582.682	5.578	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1Cl	103890705	DRBYALRDFLQIPO-UNOMPAQXSA-N	532.254	8.153	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)c(C(=O)OCC)c1C	109151652	ZVYZDLJZECXPFK-KGENOOAVSA-N	552.048	6.361	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1I	150352763	HEZSBJFKLZKLQG-UGWJVXAQSA-N	651.482	5.502	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1)S(=O)(=O)c1ccccc1	150385311	ZOGQJACIWMJPFJ-FDALDRLYSA-N	645.612	7.869	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1cccc(F)c1	408543007	MPUWRDKJLNKCFQ-DJKKODMXSA-N	506.375	6.733	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1Cl	408543539	PTPCUZURLDHUNA-DJKKODMXSA-N	618.302	8.133	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408545324	XVJNPPCHHMELFW-OCKHKDLRSA-N	547.232	7.496	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccccc1F	408569669	PIGDNTLGGPIPHY-PXNMLYILSA-N	543.311	6.097	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408640629	BBXQLNWBIFAXMM-GHMQEZDJSA-N	714.794	5.577	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408642778	NVJPSTNAUAPGPR-FZDBZEDMSA-N	631.148	5.464	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	408724554	BMIGNBLNYZJMJW-MOSHPQCFSA-N	647.307	6.976	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408726447	SUSRCCQYGLNSTD-ZMSHONLYSA-N	614.265	5.751	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccccc1	408742303	OEQPSTWZUMCJJG-PXNMLYILSA-N	675.091	7.327	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408743985	CZWKDOZVUPPDEF-PXNMLYILSA-N	611.636	6.971	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)COc3ccccc3Br)c2-c2ccccc2)cc1	408744606	YTQBYEZXVOOAHL-FADJLKOXSA-N	594.509	7.502	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(I)c2)c1	408744922	IGLOLKORSREIOV-UNOMPAQXSA-N	558.803	6.468	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747711	RUNSFQOSBNNSHI-BOPFTXTBSA-N	638.097	6.941	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1cccc2ccccc12	408759980	PKVURAAJKKFILL-LPYMAVHISA-N	608.863	7.621	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1Cl	408780914	NCRPSRZLFVERGI-MFOYZWKCSA-N	593.204	6.421	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2C)ccc1I	408785145	ZAIBBTLYCLCRBB-OPEKNORGSA-N	526.205	6.078	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408787868	HBKUDKVVLGFESG-OVVQPSECSA-N	508.581	6.686	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408788122	BESHBTLIPQGFAD-YDZHTSKRSA-N	730.315	7.739	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(I)c2)cc1	408793350	FBFKFASPQJFUDH-FYJGNVAPSA-N	552.368	5.511	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408793402	FHMRARSLFWMUBB-PCLIKHOPSA-N	664.927	8.047	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408795223	UUJITVWUMRYYBO-LZYBPNLTSA-N	548.220	6.595	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)cc1	408797494	RTXZJXMDOPMMKR-LPYMAVHISA-N	552.412	6.295	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1cccc(F)c1	408815919	VXCLMTFYTAFANG-ACXHZZMFSA-N	551.412	6.805	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408833321	UBKKRWZYBOQXDI-UXHLAJHPSA-N	574.099	5.190	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1	408850374	MLNYKSJROQDAJS-BHGWPJFGSA-N	509.629	6.036	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1)S(=O)(=O)c1ccccc1	408856140	BDVVTODRJDTUDU-QXUDOOCXSA-N	650.595	6.253	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Br)cc1	408857833	WVJBKQSIIWCVAC-NVJOKUIPSA-N	592.671	6.963	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl	408866658	HPQQKPGMQCRGOT-ICSRMJQJSA-N	576.502	5.275	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccc(I)cc1	408889091	DNHWJUYDIHMLTF-FOWTUZBSSA-N	549.195	6.723	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408893941	HCRFBHHHRLEVIU-VIZOYTHASA-N	641.283	6.295	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408921306	AHZDJFHYLJJBDV-KKMKTNMSSA-N	615.289	5.255	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccccc2F)c(OC)c1	408957716	VPBQXYBXTSCWGV-VVYBVRPNSA-N	795.400	5.501	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(I)c1)c1cccc(C(F)(F)F)c1	408961139	AMCNJBCESZEPFI-UVHMKAGCSA-N	524.280	5.653	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1	408969821	VDRPFAROOAAHDK-IEBNKFCASA-N	625.465	5.815	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	408972213	NQVBJLFQCXTDEC-KSCRDDIVSA-N	648.587	6.925	50	40	KKGB	
CCCOc1ccc(Cl)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408974412	YXKYQORJJZJUPX-KMXPPJQQSA-N	542.891	5.884	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(C)c1	408982545	HMZHUWYPWPATGP-NHDPSOOVSA-N	539.857	7.243	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	409019791	XFYZYHMLKUORIP-ATKLRSNGSA-N	519.617	5.082	50	40	KKGB	
CCOc1c(I)cc(I)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409036072	KFFRTQSQSVRIEJ-RWPZCVJISA-N	647.254	6.274	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccc(Br)cc1	409102462	AAOKBNGYHWXOPS-XMMPIXPASA-N	586.236	5.746	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1c(C)cccc1C	409153196	LRJODYUQIAOUSU-PNQUVVCRSA-N	622.303	5.488	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1	409154791	OMELWFALAMVPQR-OKCVXOCRSA-N	557.434	5.279	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1	409162573	GBHPGMVHRJFCBG-VTNSRFBWSA-N	692.938	5.629	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(Br)cc1	409174782	OVFPWIGIPQXCPC-VPUKRXIYSA-N	720.145	5.475	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409224240	JHHPGAXWUOEEQT-LQNQUEJISA-N	587.386	5.593	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1	409225387	PWYAUBFHQMVZBM-UHFFFAOYSA-N	665.338	6.764	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409247721	NHTIZRFFSBBQAS-UUMRFZBWSA-N	548.437	5.568	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)ccc1OCc1ccccc1	409248155	CGFUJQVMEZWITM-QJOVZPHJSA-N	660.565	6.915	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409251423	POYFCONZDGMBNQ-VXLYETTFSA-N	649.407	6.499	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409264834	GEGQOYVLCJGZNN-YBFXNURJSA-N	507.949	5.668	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OCC)c2)cc1	409267868	PJRMQLBIVAZOMF-XQNSMLJCSA-N	513.594	5.664	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc3ccccc23)cc1OCC	409319716	KVCXEOFMZSNHHJ-MZFJOGFUSA-N	559.460	6.909	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409355888	FGLXKHCFBNMJQM-KKMKTNMSSA-N	639.244	5.112	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(C)c1	409371315	GUNVBMCROGLBCL-NHDPSOOVSA-N	540.357	6.550	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409372179	TVICVXOYRDEPHY-BOPFTXTBSA-N	513.338	6.208	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(I)c1OCc1ccc(Cl)cc1Cl	409373109	PQCJZIMUOHCTFL-XODNFHPESA-N	599.252	6.348	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2cccc(C(=O)O)c2)c(OC)c1	409373941	WMYAQPVZTVJAKD-FJEPWZHXSA-N	518.953	5.552	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccc(Br)cc1	409374230	ZDWMOSXJBLLCCD-VYYCAZPPSA-N	591.256	5.790	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C)cccc2c1-c1ccccc1Cl	409394802	GBPQQOZBWFFNSH-UHFFFAOYSA-N	730.240	8.967	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)cc1OCC	409394939	HTNAVEAWERCMHM-UHFFFAOYSA-N	674.979	8.340	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)[nH]c12	409395698	QTQDFQSOVMZYQV-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)O)c([N+](=O)[O-])c3)o2)cc1	409400187	BXWZOQRQFYXDNZ-DBFSUHOCSA-N	611.405	5.164	50	40	KKGB	
C#CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409402805	LCCRMUFHDVHDEU-LQNQUEJISA-N	501.970	5.695	50	40	KKGB	
CCCC[C@H](CC)Cn1c2cc(B(O)O)ccc2c2c1c1c(c3ccc(B(O)O)cc3n1C[C@@H](CC)CCCC)n2C[C@@H](CC)CCCC	2362804407	XRXLRKUWYMDDAG-DTXPUJKBSA-N	669.569	7.713	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccccc3Cl)cc2)sc2c1CCCC2	1785176	NEMWIVQLTJBGKW-YEVVNVGGSA-N	554.068	5.627	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C	2388143	VNHZIBBLYYQTLN-AQTBWJFISA-N	509.653	6.597	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)NNC(=S)Nc3ccc(Cl)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2696141	IZYMTEDFGGTFMW-UHFFFAOYSA-N	565.168	6.304	50	40	KKGB	
COc1ccccc1/C=N/NC(=O)CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1	2738666	SQGKWEUIEMWXTF-FDAWAROLSA-N	522.634	5.284	50	40	KKGB	
COc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Br)cc1Cl	2801635	CUSLXIGCUBZMSO-NBGIEHNGSA-N	549.856	6.284	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1Cl	4196297	VHLOGBGIBLLCLV-LICLKQGHSA-N	576.672	6.998	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	4645544	KTLDGRMNGIVNHA-AREMUKBSSA-N	514.607	5.385	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1	8426895	PRMWPOHWRRRITB-JTYKMIQVSA-N	503.312	5.018	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1	8766823	PYYZVHGPAVZYQJ-JJMKSGPCSA-N	525.630	5.545	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccc(Cl)c(Cl)c1	8811150	ADHAWUYJRAGSOF-CCVNUDIWSA-N	503.382	5.752	50	40	KKGB	
CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(=O)OCC)c1C	9424029	FWDWFALMYKFYQK-PTNGSMBKSA-N	512.569	5.418	50	40	KKGB	
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC	95604109	KASDHRXLYQOAKZ-ZPSXYTITSA-N	810.466	5.719	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@H](C)Sc2nc3ccccc3s2)cc1CSc1nc(C)cc(C(F)F)n1	97965694	ZCGLQIIJGFHWFJ-LWABSXGCSA-N	559.689	6.264	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	100125791	CRSWTZUQKKXLMI-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F	100258257	AJVQWDCPELSORQ-KCSSXMTESA-N	554.594	5.702	50	40	KKGB	
CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)CO/N=C/c2ccccc2Cl)c2cc(Br)ccc21	102941385	LPCKYQFGUBOTPY-CCCVCIAUSA-N	576.923	5.180	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(OC(F)F)cc1OC(F)F	102978247	WDJUYLGRGALPRW-MHDJOFBISA-N	527.474	6.171	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(C)cc1	103755041	QFQZIYFAJXJVGU-QRVIBDJDSA-N	566.439	6.740	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Cl)c3Cl)C3=C(O)CCCC3=N2)c1	104126502	IZCCSHHZFNWDRZ-QFIPXVFZSA-N	514.434	6.643	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NNC(=O)Nc1cccc2ccccc12	104529688	NHDVEIJDIZTAFO-UHFFFAOYSA-N	555.685	5.424	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1	150382643	VLEPEIKBIMRUHK-UDDRSKGWSA-N	663.594	5.047	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	150433598	DHDRRRYFHUXQHU-XZYGTATASA-N	644.741	6.579	50	40	KKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc21	208200093	BCGRIROGDFIEAD-IVWKQIGUSA-N	509.242	5.403	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550431	DYZCVXPXRRKDSI-LZYBPNLTSA-N	612.819	7.627	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552627	KKPMGLQCBHVBBW-LDADJPATSA-N	561.461	5.824	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2ccccc2)c1	408728053	VBOAAAQAGYMZBA-WEMUVCOSSA-N	540.645	5.059	50	40	KKGB	
N#C/C(=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl	408730107	NEAJDFUIZGJJDG-VIZOYTHASA-N	510.293	5.978	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1	408744417	FNRJCWHZLMSCHR-YVLHZVERSA-N	668.123	6.949	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408745197	QADMBHKEHSXZGD-UYRXBGFRSA-N	569.355	5.723	50	40	KKGB	
N#C/C(=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl	408759450	FFXMNSPHSZGSTM-GDNBJRDFSA-N	518.334	5.215	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)C(=O)Nc1ccccc1I	408760286	WDEDFCUWXXXVFU-LGMDPLHJSA-N	520.330	5.292	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(Br)cc1	408771116	CQEDHRQGVGRCPJ-ODLFYWEKSA-N	518.249	5.951	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c1	408783074	JSZCYGQOTPNECA-BKUYFWCQSA-N	509.391	6.170	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(I)cc2)c(C)c1	408788449	DCZJCWUAQSOAAG-KGENOOAVSA-N	508.359	6.033	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408792233	JUXZSGNFPFJYDV-GZTJUZNOSA-N	549.195	6.723	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408794118	HXPAVYIHIXQAEG-LZYBPNLTSA-N	547.192	6.789	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408795947	WQVLJPLETVDQDK-CXUHLZMHSA-N	609.645	6.537	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1	408797298	RBVAFIUICYPVDG-KGENOOAVSA-N	535.394	5.759	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408814544	PPXVHCWWQKYWAT-MFKUBSTISA-N	525.048	7.942	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408829876	KSKAJVMFAWMCDU-XKJRVUDJSA-N	649.778	5.913	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl	408831592	WEXCZBSNLMQGIU-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408834095	KZVZMAWWTOLEPW-MFKUBSTISA-N	617.927	8.123	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	408839222	OZBIQQBJVDEXQX-FABQOPTDSA-N	564.070	7.422	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(OC)cc3)cc2)cc1	408840816	BVAPNKQRXXWKTN-KCSSXMTESA-N	602.441	5.702	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408841643	GAVXTFDWKPGEDS-HIWRWHBISA-N	657.329	7.799	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1cccc(C)c1	408843588	MIVLNJVZVWGQKJ-XJECJHNESA-N	662.009	8.630	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408845797	RSEGXQKHNIUBCI-ZHSUKTGHSA-N	725.487	7.089	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)cc3)cs2)cc1	408848325	VVIXLTDHWPIPQN-UACWCTJZSA-N	674.786	9.659	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc2ccccc12	408850226	ITNVJUCKCZZZRE-FZSDHLTPSA-N	658.596	9.110	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408885836	BPVKDPFKPKNIIS-XNTDXEJSSA-N	596.684	6.178	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408889160	AHRSVXGUIZMTBX-GZTJUZNOSA-N	545.386	5.219	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408926711	XNXNTUGCUPQSCF-LICLKQGHSA-N	696.317	5.334	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408941581	DXOHIHYXYFKSDI-MHZLTWQESA-N	716.998	5.475	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)c(OC)c1	408949254	FEQRCGSFLZSISX-NLILZDBFSA-N	750.430	6.072	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(Br)cc1	408950150	RQCWPPYZKMWWGX-HHHXNRCGSA-N	795.348	6.438	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409015267	BBYVUNCGYWSFTO-GOLRRCQHSA-N	712.973	8.501	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4c(C)cccc4C)c3C)cc2)S(C)(=O)=O)cc1	409029267	XZDSWGBIQQVTFO-BIZUNTBRSA-N	542.705	5.750	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	409042508	XYUURWILNBDUIZ-OCSSWDANSA-N	626.520	7.110	50	40	KKGB	
COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)c(=O)c1C#N	409083935	OVENQHRHIUMOLQ-VNTWQREPSA-N	793.169	5.015	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1cccc2ccccc12	409104416	ZLTLSHSKHDJMQU-NDEPHWFRSA-N	618.427	6.369	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2cccc(Cl)c2)cc1	409133714	QWZVYOBLRYAUMK-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C2=C1CCCC2=O	409135596	RKVRFQIIJWOHOE-NRFANRHFSA-N	612.149	6.827	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	409185193	KFXNJGXOLHPHHU-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccccc1Cl	409189889	UNJDUMPQDNUMMS-WQRHYEAKSA-N	503.824	6.046	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1	409220609	CBAZOJBINSNYOC-MWLSYYOVSA-N	538.360	5.855	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc1	409221785	AWSVVHVISSXMRV-XHUYUCAKSA-N	548.555	5.538	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1	409223883	HDLVJJDSAQTWTD-UHFFFAOYSA-N	655.730	7.100	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1	409247408	CACDFQCDXZMJKN-HMAPJEAMSA-N	539.857	6.346	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccccc5Cl)c(Cl)c4)cc3)cs2)cc1	409254429	XJANZZFVNHQHMU-QMRORBIVSA-N	630.557	7.950	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409256309	NMSGOJOGNMBADB-ODLFYWEKSA-N	568.855	6.291	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1	409262348	GYFMFRREMPPCCY-VKABLRQNSA-N	512.393	5.084	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)c1C	409264254	QBOLDAWPKDEQPP-ODLFYWEKSA-N	549.381	5.537	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)ccc1OCc1ccccc1	409306235	ZEBITDBZZBKSFW-CLHYIUPASA-N	688.416	8.685	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OCC	409322364	JNXNDFWKAGTCII-LQNQUEJISA-N	600.466	6.286	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	409324629	VEJPKHFFVDAVKQ-MUXKCCDJSA-N	503.382	5.752	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(I)c1OCc1cccc2ccccc12	409359272	BBXLJEJLSUUAOG-CAQPMQTCSA-N	624.475	6.132	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	409368865	QJIBSKAMNWLSSX-KKMKTNMSSA-N	535.225	6.057	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409400317	OHRDNWQJSVILPV-GYJUCFALSA-N	624.488	5.741	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3C[C@H](Br)[C@@]4(Br)C[C@@H](OC(=O)CCCCCC)CC[C@]4(C)[C@@H]3CC[C@@]12C	504246585	PZBUHTHCCFTXDY-MDUNMGRRSA-N	658.644	11.169	50	40	KKGB	
C[C@@H](C1=C(CP(c2cccc3ccccc23)c2cccc3ccccc23)CCC1)P(C(C)(C)C)C(C)(C)C	1569989284	KGROJTGZZDPONJ-SANMLTNESA-N	538.696	10.374	50	40	KKGB	
CC(C)(C)c1ccc([C@H](N[S@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)cc1	1857794991	DLBHPNHATQGLBQ-DWEWYUIOSA-N	527.714	6.884	50	40	KKGB	
O=C(NNC(=O)c1ccc(Cn2cc(Cl)cn2)cc1)c1ccc(COc2cc(Cl)ccc2Cl)cc1	2284302	SVAZNMSNRJBISS-UHFFFAOYSA-N	529.811	5.545	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)OCc2ccccc2)N1	2311150	NUQFXSMWODNSJK-MUUNZHRXSA-N	545.060	6.256	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1	4196360	WCWYOBMBUHTPQS-RQZCQDPDSA-N	532.221	6.889	50	40	KKGB	
C=C(C)[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@H]1SSC(C)(C)C	5553649	JWNOBNLNGXPONA-QIBDARBMSA-N	604.794	6.176	50	40	KKGB	
CC(C)(C)c1cc(CNNC(=O)C(=O)NNCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O	6075307	NITHSNZQNGKFTC-UHFFFAOYSA-N	554.776	5.230	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	9075601	RVKYGNITFBFSBP-XMMPIXPASA-N	506.534	5.264	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	9259142	LAOYSDMCIRWIBJ-PXLXIMEGSA-N	501.514	5.986	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(CC)cc3)N(c3ccccc3)C2=O)cc1	9432110	KRZFPNQAJZXFMC-OAUQLRMZSA-N	525.630	5.491	50	40	KKGB	
COc1ccccc1/C=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1	13898710	MLCYCXRGLRRZRZ-VYYCAZPPSA-N	512.422	5.492	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	59885700	LZTMXPDGSNXXLR-OKCVXOCRSA-N	553.990	5.493	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	59887196	SWMUGBDFXMSBHO-FJEPWZHXSA-N	576.889	6.637	50	40	KKGB	
c1ccc(P(=Nc2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1	97983522	ZTVHOHYQBBVCQT-UHFFFAOYSA-N	628.696	9.305	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(=O)OCc3ccccc3)=C(C)N2)c1	98000112	HQVBFJZYGNAUKG-MUUNZHRXSA-N	560.075	6.160	50	40	KKGB	
O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(OCCOCCOc2ccc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1	98001183	NEBHECWBISMYRG-UHFFFAOYSA-N	762.863	6.347	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCOCC1	98050614	RPKFLXZAMGAPFG-FXRJOTQOSA-N	628.976	6.868	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	100534857	YUVDZTQTVMORFL-KPGMTVGESA-N	530.411	6.191	50	40	KKGB	
CCOc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccc(OC)cc2)cc(OCC)c1OCC	103922016	HYKWSSCDFAWNCG-DIBXZPPDSA-N	615.712	5.461	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc2c(c1)OCO2	105334676	DYCWMZXNYABGIH-OPEKNORGSA-N	532.188	5.283	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	105410350	LNEHRYSVDGYLBN-TURZUDJPSA-N	542.499	5.482	50	40	KKGB	
CCN(CC)C(=O)C12C[C@@H]3C[C@@H](C1)CC(P(=O)(Cl)C14C[C@@H]5C[C@H](CC(C(=O)N(CC)CC)(C5)C1)C4)(C3)C2	105588836	SJTXNEPPGHDOAF-PFASSLDLSA-N	551.152	6.918	50	40	KKGB	
O=S(=O)(/N=C1\C(Br)=C(Br)/C(=N/S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Br)[C@H]1Br)c1ccc(Cl)cc1	150403005	UVNNXZBWWIJGNO-KEZYUXCHSA-N	772.944	6.495	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cc(Cl)ccc2OC)cc1OC	150474613	ZGOPGDVVDSDIGP-ATZGPIRCSA-N	645.565	5.772	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	162472106	AUOOIVGVJUACGI-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1	216063110	NOJNADYWKTWCSN-FDAWAROLSA-N	594.449	6.585	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c3ccccc32)c1	408543585	OYZGPWYYARZRBH-KCSSXMTESA-N	504.590	5.648	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551514	LLIGEGWUGGCOIC-NVNXTCNLSA-N	656.691	6.823	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552120	OKWJFDXTIOCLJA-VWDPFFEDSA-N	574.770	6.456	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552464	PXIVQXFWPCHEFZ-NOPDUFPGSA-N	806.897	8.909	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCC(=O)Nc1ccccc1	408555623	YGNWIJKJWJMJLB-XDHOZWIPSA-N	652.514	6.065	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1cccc2ccccc12	408567622	FVQRICSOHVSDHR-VTNSRFBWSA-N	623.594	7.198	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1I	408567650	GAUNPXGFBVEIKU-WYMPLXKRSA-N	666.344	5.468	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408567903	QGRLNNYZXBYSHJ-JMIUGGIZSA-N	577.251	8.023	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(OC)c1	408567941	QRZAVCVKPIKYNC-WKULSOCRSA-N	611.392	5.713	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408599551	WFNVPHXWPOQMSK-VTNSRFBWSA-N	594.347	8.005	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Br)cc4)c(OC)c3)CC2=O)cc1	408603279	GCXRCWHKEPAXEG-HXUWFJFHSA-N	538.442	5.095	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408643620	GHLFSYFSJVKGNA-MCBCHBBLSA-N	568.284	5.916	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1	408744286	DTPXMTXEAJIXBS-WQRHYEAKSA-N	538.354	5.499	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408766071	ZCAJUWWGQJLDFD-ZDLGFXPLSA-N	601.251	6.643	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	408784792	SUULCFJNEVQNDT-RWPZCVJISA-N	528.417	5.198	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408787796	GKMCTCRKNFTVIY-UDWIEESQSA-N	551.393	5.134	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408789961	SWIWDNCSEXINRP-KEBDBYFISA-N	574.302	7.896	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(OCC)c2)cc1	408790405	VZBGYXIRWUEAPN-HYARGMPZSA-N	535.438	6.680	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1C#N	408792820	LMYQLACMNHNRGU-KEBDBYFISA-N	547.365	5.752	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1C	408794767	JDZGEBMNSBEDFW-UDWIEESQSA-N	506.356	6.099	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408795470	LHVCBIXWDROHGF-RGVLZGJSSA-N	583.382	6.031	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(I)c1	408797631	SIGJYOYSIQGZRO-VCHYOVAHSA-N	563.222	7.031	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408828666	LTBZGWRUKDKBHK-OEAKJJBVSA-N	638.345	8.468	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	408832303	XVDSGFOGPUPKGS-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408834564	WNBKKIYXZRLHGC-WSDLNYQXSA-N	598.313	9.004	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccco2)cc1	408839347	QYARVDWLFWYOHZ-FJEPWZHXSA-N	588.985	6.291	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	408840592	COKQQMBXOOBFLT-IRWBXMRWSA-N	718.393	8.856	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408841899	HCIWHNBTQAGBBB-YLYVUXRMSA-N	730.899	10.018	50	40	KKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)c1	408846088	XKJUFUICMPFBOG-XAZZYMPDSA-N	555.582	5.792	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1	408847583	SYRKAZXAMZEWBR-HHXREPPISA-N	582.454	6.393	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1cc2cc(Br)ccc2o1	408855973	IFJSBVFJYKIYQO-FXMZOFOKSA-N	625.086	7.202	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408863230	LGXIVURCMAUHPM-DPNNOFEESA-N	593.149	6.027	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1cc(Br)ccc1O	408869795	UFPYTUZSQHFSIF-RAAYPUKUSA-N	592.449	5.121	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408878938	DEYURXRNEPBQHS-HMMYKYKNSA-N	501.355	6.866	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408880932	KNMGXLAVJNSLKI-FDAWAROLSA-N	653.511	5.291	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	408881474	MMJIFTFKUSRJGK-GUBAARJWSA-N	624.162	7.387	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1Br	408881929	NAMCRVSJLOTBPJ-CIAFOILYSA-N	584.308	7.352	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	408884605	YNBCWLPSSRJBKT-KULFSUQXSA-N	751.483	7.015	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1Br	408889354	CVWISKHEKCRACC-XDHOZWIPSA-N	586.280	6.744	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408892694	BWFIQIHFDPVXES-OQLLNIDSSA-N	632.221	6.765	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(C)c1	408947928	DQXJPJVZZCDTMU-OYKKKHCWSA-N	558.476	6.482	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	408948443	GEUXCTWHQXFLCJ-XYGWBWBKSA-N	550.456	6.928	50	40	KKGB	
CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1	408951603	JFLIYNJQUSWFHN-AVLPFNLUSA-N	549.678	7.432	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)c(OC)c1	408958166	XLGOSXIKCLCGFK-OLDUKCEXSA-N	671.534	5.310	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1I	408964244	QCYSDSICPFBFTE-YSURURNPSA-N	600.116	5.243	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408983883	NXKRYIRIEOCEAS-IDUWFGFVSA-N	536.242	7.742	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408985702	XUTRELYFWHGZTL-MTJSOVHGSA-N	704.733	8.136	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1	409000734	FPCOLBYMMSZRDT-OJANRJRPSA-N	503.002	5.671	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(C(C)(C)C)c1O	409002313	NEGMWAGYECZPBR-GTNUZBGFSA-N	661.606	5.632	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cc2cc(Br)cc(I)c2o1	409009291	CWSRWCHDYHIMDX-XAZZYMPDSA-N	659.705	7.949	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccc(F)cc1	409012128	HQWDLSWWNPVLEK-MQCSSTEZSA-N	588.596	5.248	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409031643	HWBBUNLHACZDCR-FZKWRIDDSA-N	561.439	6.879	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc(Cl)cc1Cl	409033161	NFRFZNWSMRMRAP-MWBNBJEGSA-N	617.558	8.602	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1	409042872	DFLWKNSQQRKYMV-CAOOACKPSA-N	538.066	8.162	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1	409043769	AMLKDJPOMBCHTJ-VCHYOVAHSA-N	615.234	6.031	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409047794	NDMGJNCAQPOFOU-MJXLXAJKSA-N	753.334	7.183	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409049121	USHGJQCOFWQYGL-WOJGMQOQSA-N	564.383	5.566	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)cc1	409071328	JHBOUOVFVLYNFZ-VCHYOVAHSA-N	586.236	6.043	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2cccc(Cl)c2)cc1	409112046	JUTHHHOMUQEQEZ-XICOUIIWSA-N	614.123	6.426	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1C	409114604	HPVPCPDABDKRMQ-UXHLAJHPSA-N	626.520	5.353	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C)c(OCC)c2)cc1	409159174	QFTFWKWVQCGOGK-KCSSXMTESA-N	625.520	5.441	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1cccc2ccccc12	409180401	RGLVCWDYWPXRER-LCIRPYIXSA-N	592.611	5.715	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)c1	409185028	PUPMWINYAQMYHN-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(F)cc2)cc1	409185413	YSHYSPOAKLDCNF-DPNNOFEESA-N	609.079	5.151	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)cc2c1	409187402	QAAHYXYCQCLXMC-IPPBACCNSA-N	604.828	6.441	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409202964	UMGHUSLKWDUOMY-UCQKPKSFSA-N	518.400	7.952	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409218559	GAACJHFGOVFQCT-UHFFFAOYSA-N	621.831	6.246	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409226978	WUBYXTUIKNJIEO-UHFFFAOYSA-N	587.386	5.593	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1OCc1ccc(I)cc1	409250333	NCVRZHWQYIUKJY-LQNQUEJISA-N	572.418	5.829	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409258063	SXVNTZACRGKCAY-OCSSWDANSA-N	568.468	6.325	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409259688	CNTGGVSPRHVOKC-ZKELCEFQSA-N	604.545	6.221	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cccc(OCC(=O)Nc5cc(C)ccc5C)c4)cc3)cs2)cc1	409266627	KNMUAJZZWUVHJJ-KMUKQRDJSA-N	589.721	7.260	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409267235	MQUTWCSHNVKAEC-MUXKCCDJSA-N	636.284	5.542	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409271474	LITVGKQUXFCEEV-MTJSOVHGSA-N	548.437	5.946	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OCC	409315618	NVNCUSJKONIJPZ-DXJNIWACSA-N	533.625	5.363	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	409322335	KANOQNVEMYXJDH-NTFVMDSBSA-N	525.399	5.374	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	409364458	PQWAZVZPAXQLSN-KMUKQRDJSA-N	609.683	6.873	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(Oc2ccccc2)c1	409367792	KYGGIQKVOJPKER-KYHGBAKBSA-N	647.378	6.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409377787	JWLRHURXEIRYFL-GZTJUZNOSA-N	554.372	5.256	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409395434	NLWCDFXSAADRLR-UHFFFAOYSA-N	609.038	6.369	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396363	NWKLNWHAIXXGSC-UHFFFAOYSA-N	634.689	6.217	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397301	ILGYMNSERSFRCE-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(Br)cc3)o2)cc1	409400185	BXRJNXPYHZYZNV-QMRORBIVSA-N	677.939	7.933	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4cccc(F)c4)c(Br)c3)o2)cc1	409403526	NHMNTPNYSUGMRV-VHFSBPNMSA-N	659.512	6.949	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1c(Cl)cccc1Cl	1782630	SSGKWBHOBWJMCN-OMUPBXIWSA-N	549.454	7.166	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1OCc1ccc(C)cc1	1784674	QQXQMJLYFIIBMQ-ROPCREHHSA-N	552.656	5.480	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1CSc1nc2ccccc2s1	2280140	OHAPUBYQCDSZMG-UVHMKAGCSA-N	524.092	7.229	50	40	KKGB	
CCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1	8425187	QBPLFEYVFBVKKU-CADBVGFASA-N	529.269	5.240	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N4CCC(c5ccccc5)=N4)cc3)c3ccccc3n2)cc1	12601086	NNKAQWJYUBXSHM-PPOKSSTKSA-N	509.613	6.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(F)cc1	14152185	FPPYEPUUDGNRKW-DEDYPNTBSA-N	501.583	6.161	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	20060181	GUSQWLMKSNWFJP-LGJNPRDNSA-N	510.830	5.377	50	40	KKGB	
CCCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(NC(=O)c4ccco4)cc3)c3ccccc3n2)cc1	20595907	ICEANNQWFWIYMT-XICOUIIWSA-N	516.601	6.854	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2	34896902	GJYUJEHZPNBNCN-UQQQWYQISA-N	506.631	5.826	50	40	KKGB	
C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58917746	MRSHHDGDWHZVET-VHENUOIUSA-N	520.073	7.328	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H]1COC[C@@H]1CI	95682070	QBAODHXWEYFWJU-WDSKDSINSA-N	644.103	7.084	50	40	KKGB	in-vitro
Cc1cccn2c(/C=C(\C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCCC4)c(-c3ccccc3)nc12	97946800	OEEQTSYEHJOHCO-YHBLIXGUSA-N	565.699	5.705	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCCCN2C(=O)N(c3cccc(Cl)c3)[C@@H](N(O)C(=O)Nc3cccc(Cl)c3)C2(C)C)cc1OC	97966431	GCZZGJRXSBZXHU-NLLYSOFASA-N	671.582	6.601	50	40	KKGB	
O=C(C/C(=C\c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C/C(=C\c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97969390	TZPYVXIPRUHANZ-NTHXEYRTSA-N	812.974	11.491	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(SC(F)F)cc3)o2)sc2c1CCCC2	97984538	KYCSCNRIAQJVPY-DTQAZKPQSA-N	528.602	6.924	50	40	KKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1I	98001440	LWETXAXQSGFYDS-XAZZYMPDSA-N	707.160	6.751	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1	100103042	DYCNXERJAXMSPE-GUBAARJWSA-N	624.162	7.387	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1Cl	100119186	MEURVVFYDQLCHC-KPGMTVGESA-N	603.959	6.784	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)c2C)cc1C	100124388	VREWVONDJNQSGU-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1	100232798	CNFDSXIVIRSHIW-MTJSOVHGSA-N	539.857	7.243	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100239861	CNSHOTQFTRZPAN-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c2ccc(C)cc2)cc1Br	100285952	RFXCVOZQJXYLHQ-KCSSXMTESA-N	623.573	5.828	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	102808724	WKSYQLUATSIDAV-SSEXGKCCSA-N	564.642	6.851	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc2ccccc12	103884521	BWFGIUCHKIYXDT-ANYBSYGZSA-N	592.537	7.166	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(C)cc2)cc1	103899839	UBYLVOMDSFZUPD-OKCVXOCRSA-N	588.538	6.629	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C	118931371	SPJCRMJCFSJKDE-UYONPGRWSA-N	644.812	10.466	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Br)cc1	164711235	FBKAKMIUDRVSGN-MTJSOVHGSA-N	631.308	7.194	50	40	KKGB	
N#Cc1ccc([C@H](Cl)[C@H](Cl)c2cccc([C@@H](Cl)[C@H](Cl)c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	226333290	TYWNYRTWAKWVCN-YCAMKHIRSA-N	564.212	7.766	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCBr	259431620	LDUXQPXCIDUCDA-UHFFFAOYSA-N	553.241	9.021	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2Cl)ccc1OCc1ccccc1	408537418	DVVRCNCHWIPNGF-RODHXAHZSA-N	632.569	8.356	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Br)ccc1OCc1ccccc1	408538868	CSVRNYRPDFNWLZ-FZPRHHONSA-N	683.353	7.440	50	40	KKGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1)Nc1ccc(Cl)c(Cl)c1	408550258	CBOSICFEUPWFKP-ZRGSRPPYSA-N	521.198	5.537	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552459	PUKXXCDNYDLYRT-ZDLGFXPLSA-N	647.309	6.504	50	40	KKGB	
O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)O[C@H](CCCl)C(=O)c1ccc(Cl)cc1	408649703	DWWMQVSTADNUGF-LNSKPXDASA-N	631.339	6.047	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408710534	BRUWUWDXXIAVRX-VFLNYLIXSA-N	629.278	6.357	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(Cl)c1	408740731	LYHOIJHFEFGMQE-UVHMKAGCSA-N	541.789	6.442	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)COc3cccc(Cl)c3)c2-c2ccccc2)cc1	408742188	NSKIYNTYKGMILH-FADJLKOXSA-N	550.058	7.393	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408755974	QDQQZVUHCPVUPJ-OQLLNIDSSA-N	592.811	5.333	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408777456	ZTZKEVLTHNEMJA-PXNMLYILSA-N	550.211	7.028	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)c1C	408790109	NRQPZXINBHBCEI-ZMOGYAJESA-N	684.315	7.791	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408793466	PBCMRXLQQPYEFL-BUVRLJJBSA-N	570.001	6.960	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1Cl	408796131	NHTYHNUFYWEFPV-PCLIKHOPSA-N	573.476	8.096	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1ccccc1F	408796463	YHFKXPYCEAIJAB-FYJGNVAPSA-N	523.402	6.674	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408798155	UZIKNPPAGVKXBS-RQZCQDPDSA-N	557.198	6.244	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1Br	408807542	DBICZPQKCLMMGT-OQLLNIDSSA-N	506.194	5.639	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1C#N	408813365	PIMVFWVTPCBEPX-MUXKCCDJSA-N	504.340	5.418	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1C	408822891	CJTDJOLVOQANJQ-WGOQTCKBSA-N	646.379	8.532	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)c(OC)cc1Cl	408826048	KMQXPKHRFVIQIY-REZTVBANSA-N	547.822	6.797	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc(F)cc1	408827140	KHZFUCGGZLZXQL-WGOQTCKBSA-N	662.499	7.841	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC	408828338	MHRTVTOAWVAIOI-FABQOPTDSA-N	703.011	6.053	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(C)c(C)c2)cc1	408829726	PVCQLPSHZPHTPO-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC	408832983	SNCBVLIDRQRPQO-HYARGMPZSA-N	535.438	6.680	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCC(=O)O	408839117	NIDJGVHRINHSFY-AMVVHIIESA-N	609.502	6.251	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2I)c1	408842577	OSLKBWXBBPUYOI-HIWRWHBISA-N	650.464	7.090	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1cccc2ccccc12	408847540	NLDDEHZPNCIGEI-HYARGMPZSA-N	592.408	7.107	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Cc1ccccc1F	408866887	JWPHLFUPRCUBGN-OVVQPSECSA-N	506.577	6.940	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccccc1F	408879135	FPMWOEBPZQKEII-ALQBTCKLSA-N	534.672	6.797	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OC(=O)c1ccc(C)cc1	408879457	DNWVTIBOIICPKJ-RQZCQDPDSA-N	526.332	5.984	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OCc1ccccc1Cl	408883970	XKYKVPHFTMFZPU-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1c(Cl)cccc1Cl	408889721	GDZUJYSANYVKJL-GZTJUZNOSA-N	501.797	7.089	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1Br	408897863	ZZEPHIKSVTZEKZ-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(I)c2)ccc1Br	408903971	BWJZULUJODCXLP-ZRGSRPPYSA-N	690.117	6.701	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1	408938759	ACPLSVPJWFPGAG-MUUNZHRXSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	408938869	AKAIBHNRPPRKQS-VWLOTQADSA-N	587.485	5.138	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1	408987688	BPCZSKYVCIXDTJ-DEDYPNTBSA-N	581.635	6.424	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1OC	408999152	SSWTVNGJIVNEGL-QJOVZPHJSA-N	642.700	5.514	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1	409026619	UQMJDCHRTVWYHQ-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409036301	QUWWDAAIMONUEB-CLHYIUPASA-N	576.483	8.705	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409058214	SEYDAYDZMKLBNO-DEDYPNTBSA-N	564.436	5.728	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409093333	YYSJLSMRNQVFGT-OQLLNIDSSA-N	505.874	6.288	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Cl)cc1	409100211	VNHCDUDIBOMQNJ-DEOSSOPVSA-N	555.812	6.027	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1	409161464	XNSFIEWJRGKNMJ-ZHSUKTGHSA-N	653.839	5.792	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(I)cc4)c(Cl)c3)cc2c1	409187341	PDDINEWTAQFIHK-DBFSUHOCSA-N	609.247	7.086	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N	409187563	RXONJSVSMDIXHD-VGZHEGOOSA-N	577.280	5.998	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	409217311	BHKBIXKJQGXSAE-MWLSYYOVSA-N	507.974	5.316	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)ccc1OC(=O)/C=C/c1ccccc1	409219625	OLVLHSLTUNTEKP-FMOPAXQYSA-N	563.610	5.729	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	409225950	UEYSYFDHYHQWCE-WOJGMQOQSA-N	598.837	5.461	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(I)cc1	409235416	PNLQRIGTORDNMN-HAHDFKILSA-N	600.884	6.578	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1cccc(C)c1	409239673	DAUWTMDAPRXOSB-IWIPYMOSSA-N	566.439	5.843	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(I)c1)c1ccccc1	409244127	YDORFCVHZNWSPD-WBRURWICSA-N	542.804	6.308	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)c1	409268879	YZRCKNFVPDJXQW-QDTIIGTASA-N	560.832	5.210	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)cc1OCC	409303919	OWFSQUBGCQJONB-UHBFCERESA-N	602.323	6.826	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409312167	DPQYSASHNHPBBP-ZMFRSBBQSA-N	544.904	5.129	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409315178	IMIGGAQFKUPEJF-RTWAWAEBSA-N	613.317	5.264	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1OCC	409315922	WMVQIOLSABLHLU-WGARJPEWSA-N	528.905	5.510	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1OCC	409319287	CYIPZTKDMDJVDV-MWLSYYOVSA-N	501.410	6.524	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(Br)c2)cc1OCC	409331136	FCMFIOLXVBAIRZ-CFRMEGHHSA-N	526.225	5.338	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409378082	NEWIOBVGERVMAP-RQRWGXNHSA-N	690.609	8.049	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)Sc1nc2ccccc2s1	409384065	ZAEHYFAPTLTFKL-CXUHLZMHSA-N	686.765	8.395	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)c1	409394500	BEKBPNLCNVZCDP-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409396058	VVEXDHYEPINXOK-UHFFFAOYSA-N	786.804	7.772	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(OC)ccc(OC)c2c1-c1ccccc1Cl	409396073	VZTKXDDWEQWKGJ-UHFFFAOYSA-N	776.265	8.676	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccco1	409396090	WIWGZYZNJWFAAE-UHFFFAOYSA-N	720.599	8.352	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccccc1	409396130	WQADSGKPSXTMDN-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397602	LSXVWRVLOITIEH-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409397914	PKVKBYONQKYMFK-UHFFFAOYSA-N	701.788	8.558	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4ccccc4F)ccc4ccccc34)o2)cc1	409402318	JTBBGGVREDPVIC-GLJXUZQSSA-N	587.651	7.901	50	40	KKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409406128	WBAXZDWDTJLKHA-KWMKVIAQSA-N	520.029	6.861	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N4CCCC4)cc3F)o2)cc1	409407411	FRLUVCQHMISFRJ-MNBJERMJSA-N	500.574	5.769	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c4ccccc4cc4ccccc34)o2)cc1	409410418	WVXGHZMISDKYTO-GXBUFBABSA-N	513.597	7.336	50	40	KKGB	
CC[C@H](C)Oc1c(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	1531386399	CWHSGWDQQAWLHK-KXQRPDPNSA-N	550.055	6.869	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	1767325	AQHPFOSYXXOTRC-OQLLNIDSSA-N	514.821	7.500	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1Cl	2177670	FQTKOLAPINWRSM-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(Br)c1	2670118	WDUGVIZIGNDHRS-MHWRWJLKSA-N	545.842	6.562	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)nnc2-c2ccncc2)cc1	2698752	CBRILNFEJHDIEB-ZCTHSVRISA-N	504.619	5.547	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(O)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2705413	FVEOLOZJLYRRFM-KBVAKVRCSA-N	575.691	5.206	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccccc1Cl	3091127	QCSBECHSQKGEJP-XODNFHPESA-N	566.235	5.903	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(C)n1CCC(C)C	3372807	PMNUSBNDSPPTRY-BUVRLJJBSA-N	537.607	6.493	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	4063940	KHRGIRHHVIZPIG-OGLMXYFKSA-N	533.481	5.185	50	40	KKGB	
CC1(C)[C@]2(C(=O)Nc3ncc(Cl)cc3Cl)CC[C@@]1(C(Br)Br)[C@H]2Br	8440315	ZQBBBBJIVCDGIO-WKPIXPDZSA-N	549.916	6.013	50	40	KKGB	
Cc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1	9076563	BWAJCHFACVTDCL-CVKSISIWSA-N	506.429	5.248	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1	9479847	YPDPQBMIZBDHHH-NTCAYCPXSA-N	507.333	5.348	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/C=C/c1ccccc1[N+](=O)[O-]	13617296	HXIQFYKYDFKEAF-UCXQJLNCSA-N	506.034	5.300	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965737	YQSGSZQPLAZWQV-AATKOCIRSA-N	620.481	6.556	50	40	KKGB	
CC(C)(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)NNC(=O)c2ccccc2F)cc1	97979815	KKEGRSUKRVGQNZ-DYTRJAOYSA-N	551.618	5.776	50	40	KKGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(C(=O)c2ccccc2)cc1	97981043	RWYZLBIZFPZWFW-ALQBTCKLSA-N	530.502	6.161	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)NC(C)=C1C(=O)Nc1ccccc1	98000281	UTIUOYDYCXDNJM-SSEXGKCCSA-N	552.700	6.409	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(N)=C(C#N)[C@H]2c1cccnc1	98006091	TYFOFCCUZFKIHQ-OAQYLSRUSA-N	568.650	6.185	50	40	KKGB	
BrCCCCCCCCCCCCSSCCCCCCCCCCCCBr	100192902	PSVMEAXZWVHQIP-UHFFFAOYSA-N	560.590	10.960	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccc(Br)c1	100477830	RRHBHUVWOVIAIX-RGXNXFOYSA-N	565.427	7.246	50	40	KKGB	
N#C/C(=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1	100904528	ZTPVIAROKAUCPY-GHRIWEEISA-N	542.798	5.241	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	101087544	ZVBOBPMDGLSPLR-VZWFDDOASA-N	521.708	7.184	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)Nc1ccc(F)cc1	101748926	CICUFXQEORBJKT-QDTIIGTASA-N	540.345	5.124	50	40	KKGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	102681461	XCYMZAQCMVXWQI-BRPDVVIDSA-N	572.712	5.361	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCc2ccccc2Cl)N1	102807333	KRVRPXRIAPRQKK-RUZDIDTESA-N	540.903	7.915	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(C)n(-c3ccccc3)c2C)ccc1OS(=O)(=O)c1cc(C)ccc1C	102978515	NWRGXCJEEGROIO-YKQZZPSBSA-N	531.634	5.251	50	40	KKGB	
CP(Cl)(Cl)=N[P@@]1(Cl)=NP(Cl)(Cl)=N[P@](Cl)(N=P(C)(Cl)Cl)=N1	103449435	HEKWUVJVIMQRLD-PMACEKPBSA-N	538.599	11.071	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4cccc(Cl)c4)c3C)sc3c2CCCC3)cc1	103871546	FYNXWYQBTHVYSB-VTNSRFBWSA-N	545.108	7.012	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC	103900587	SZGZNSHUPICLJZ-XAZZYMPDSA-N	600.015	5.039	50	40	KKGB	
Cc1cc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCCl)CCCl)cc3)c(C)c2)ccc1NC(=O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	150389893	RUEYNURCDGMIJI-UHFFFAOYSA-N	828.668	7.412	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccco1	150440365	DUQYBCDOBWXRHJ-LGJNPRDNSA-N	622.200	5.985	50	40	KKGB	
CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CC/C(=N\OC(=O)C[C@H]6SC(=O)NC6=O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1	245229468	YMOJHOVBTLWOMT-RUCPHGPBSA-N	705.756	7.562	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408537594	GAYPUBSHDOLXFY-WGOQTCKBSA-N	613.508	7.560	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccccc1	408539550	XGHCYUFXVYWPJV-LLJCYPMUSA-N	754.106	9.900	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c3ccccc32)c1	408543099	OWBYFTHFUSRZAE-VVEOGCPPSA-N	656.274	6.353	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C	408546443	JLNQVRUEIZSPSP-MOSHPQCFSA-N	578.668	6.497	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCC(=O)Nc1ccccc1	408569801	QAFRKNGQSZVPPJ-YVLHZVERSA-N	582.373	5.787	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408570828	ZAEDJROHLZGNOD-MFOYZWKCSA-N	584.345	6.257	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408582528	OMNPSOQCCDTAHN-LICLKQGHSA-N	518.875	7.531	50	40	KKGB	
O=C(NNc1ccccc1OCc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408608849	PZWKYEQXPFIRAF-QGZVFWFLSA-N	514.807	5.178	50	40	KKGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1)c1ccccc1	408610628	OPSIOCDDZKZTNW-VMJBBSNPSA-N	532.797	5.148	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	408639056	DZUMMOFPAVVSPY-ZRNYENFQSA-N	645.175	5.772	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408652103	OJOMYZZJJXWZES-DMAQGEDHSA-N	643.159	5.320	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	408710701	GCNJFZLDLUMVMX-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408725994	NWJMRECKAWUCJA-NDENLUEZSA-N	536.382	6.189	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc(Cl)c1Cl)OCc1ccccc1	408736682	FJGAHFDMQOBQSL-GISVKQOSSA-N	509.393	5.463	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1cccc(I)c1	408748356	CJPRTXLZAAWZBG-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408761555	GBJQENXDAXILRO-MTJSOVHGSA-N	548.393	6.219	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc(C(C)(C)C)c1O	408766983	YAMSKUJUXNYZOS-OKCVXOCRSA-N	526.033	6.892	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408778117	BHIBLYFQGNVJAU-NDZAJKAJSA-N	533.572	5.148	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Br)cc1Br	408783807	RILBHISGSIPMAT-ODLFYWEKSA-N	556.254	6.653	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1C	408788852	MOYUYYCJUKEMLP-YDZHTSKRSA-N	684.315	7.791	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c1C	408791709	BECGVAMZTSGPPC-DJKKODMXSA-N	632.252	6.703	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1cccc(C)c1	408792226	JSMLTSUXZHYTNY-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1	408792556	KTLQTXZMLKBSJD-YBFXNURJSA-N	566.364	5.277	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408793988	GYQSWLUNJHDMQL-CXUHLZMHSA-N	593.190	6.023	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(O)cc1	408795141	UQPRBMUWMPDMEQ-CIAFOILYSA-N	672.260	6.879	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1sc2c(c1C#N)CCCC2	408808421	GSOCBLSFHPLNFQ-QDTIIGTASA-N	521.440	6.179	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1	408818466	YASDUCYCGCFLKP-VCHYOVAHSA-N	527.802	6.244	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC	408822097	BERYWQAOHJPXRE-UDWIEESQSA-N	600.296	7.291	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1	408829400	FVPKHCRKIMMRSY-OCSSWDANSA-N	552.052	5.405	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	408833551	RUVWCXPLBWGRLV-OVVQPSECSA-N	593.510	9.159	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1O	408838590	GNLAGEIWCMWBIH-CCVNUDIWSA-N	598.466	6.335	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccco2)cc1	408839354	QZTIOEJLBKYFPS-UHFFFAOYSA-N	518.776	5.237	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408844861	FKXCABPYPKDVAV-PPDIBHTLSA-N	546.190	6.440	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4cccc([N+](=O)[O-])c4)cc3)cs2)cc1	408847310	UXXVUQWFVKGOBU-KCSSXMTESA-N	563.639	7.113	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408848301	VQJRXQIMJGWHSD-ATZGPIRCSA-N	664.956	8.155	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(C)c(C)c1	408868827	NJMVMTPBJMJQCW-SRZZPIQSSA-N	528.958	7.499	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OCc1ccccc1Cl	408878698	CVRYGNJBMTYFHK-FYJGNVAPSA-N	594.836	7.231	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1Br	408879561	FGBYFZKFGKMYNY-XNWCZRBMSA-N	549.990	5.981	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1cccc2ccccc12	408891457	QUNKTXGMTWLXSU-CIAFOILYSA-N	562.409	7.578	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Br)C(=O)Nc1cccc(Cl)c1	408892115	BEMWAKAGBCNZMS-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1c(Cl)cccc1Cl	408892418	BDCNMHBMOAAXEG-NTCAYCPXSA-N	518.334	5.215	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408899131	ZJHRREIBIJMIJC-UDWIEESQSA-N	562.807	7.289	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCc1ccc(Br)cc1	408907958	QNUMQDZSERSVGX-UXHLAJHPSA-N	539.470	6.217	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(I)cc2)c(I)c1	408948625	PQJOFKHDIFMQHB-MHZLTWQESA-N	936.348	5.964	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)OCC)cc3)c(OCC)c2)c(OC)c1	408948664	DAIVNKHZVWHBME-HAJKSPSLSA-N	814.630	5.174	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408953762	MOOLNNQDYZZKJO-IRWRTZFPSA-N	686.505	5.209	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc(Cl)cc1	408982792	FHXUKDCUISTRFR-HAHDFKILSA-N	521.444	7.554	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1Br	408997330	NRQDPLPTJDQPJS-WQRHYEAKSA-N	639.171	8.214	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OCC	409011046	FPWMLCCZUIPTCN-OPEKNORGSA-N	648.089	6.290	50	40	KKGB	
O=C(O)COc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1I	409012273	PXZIGULUHIIVQL-TXNBCWFRSA-N	794.903	5.236	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc1ccc(Cl)cc1Cl	409019232	WDMGXVYWLWEPSF-MIMCIKNBSA-N	568.501	5.999	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cc2cc(Cl)ccc2o1	409019715	WWQXCEKQIMOIEY-BCHBDCPOSA-N	518.740	6.644	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc2OC)cc1	409026880	CZUFGAUOQMFYEB-FDAWAROLSA-N	625.545	5.219	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	409038447	OYQMFUIIUDELKF-WCMJOSRZSA-N	613.965	7.921	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c1C	409068218	TYHNBNHXGYASJE-LDADJPATSA-N	501.391	5.924	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OS(=O)(=O)c1ccccc1	409073785	INJHDVGQZOIOIO-HAVVHWLPSA-N	502.592	5.436	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1	409077407	FODVGBXJYXMNIZ-RIYZIHGNSA-N	577.269	6.622	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)c(Br)cc1OCc1cccc2ccccc12	409083994	OXAGQIGTQDJWPY-FDVSRXAVSA-N	523.814	6.607	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl	409161322	NMFNGICVIQIPCX-UVHMKAGCSA-N	569.226	5.878	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccccc1Cl	409185023	PQWYJCFDUMWFPY-KVAAJVFYSA-N	691.431	7.074	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc(Cl)c(Cl)c1	409186414	BUFIQOYKCYLWAR-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NC1CCCC1	409192088	UPVQHFUXPCAVKT-SXGWCWSVSA-N	583.118	6.519	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409224776	MQWORNWKCWUWSJ-UHFFFAOYSA-N	605.525	5.678	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1	409226856	WATCNRXPNKJWLI-UHFFFAOYSA-N	703.309	7.774	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)c1	409227364	YCALKDJYXXSASF-GDYGQMTJSA-N	627.451	6.301	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)n1	409239093	GHJLRIDJUDSPBF-NSKAYECMSA-N	608.312	5.138	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409251868	ACIRYLVIKRBBQS-VRLIQKKKSA-N	604.545	6.275	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409325109	WYVIGJBEMFPKBD-WOJBJXKFSA-N	525.841	5.717	50	40	KKGB	
O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	409341928	ANIGGKJMUHMZFI-UHFFFAOYSA-N	552.700	5.464	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1F	409369673	VCYFQBKVJNLIJP-PPDIBHTLSA-N	573.271	5.236	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1F	409372081	ROMPVXWFKFGKON-SXGWCWSVSA-N	521.611	7.647	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(Br)c1	409373710	SZRHQVWPXDDPNA-FJEPWZHXSA-N	582.292	7.025	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	409381410	MBAYCTHLJQLFHD-GZTJUZNOSA-N	570.827	5.683	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(Br)c1OCc1ccc(Br)cc1	409384038	XAUCDYCELFXLAR-CCVNUDIWSA-N	592.284	5.970	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)cc1	409395053	JHAIMTUAPNFTJM-UHFFFAOYSA-N	620.862	7.382	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396114	BITCVELXOACQNW-UHFFFAOYSA-N	693.925	7.483	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397020	FAZJLXPGOGBIKR-UHFFFAOYSA-N	649.872	7.085	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397772	NXGKEWSHPKXJFW-UHFFFAOYSA-N	617.445	7.432	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409397886	PCKCPJACURGOPY-UHFFFAOYSA-N	582.056	7.187	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398124	QUQLLUUMDWFYFN-UHFFFAOYSA-N	671.150	6.962	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409404613	QKWTXQWGIUIBLM-FRKGHFGRSA-N	711.440	9.077	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC#N)c(I)c3)o2)cc1	409404923	RJLIJQURRCLOEQ-UHBFCERESA-N	594.409	5.537	50	40	KKGB	
COc1cc([C@@]2(O)CS/C(=C(C#N)\C(O)=N\c3ccc(Cl)cc3)N2c2ccccc2)cc(OC)c1OC	3243429	JSDRROIIUKUVTG-WOEAYIBMSA-N	538.025	5.788	50	40	KKGB	
CO[C@]1(CBr)O[C@H](COC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C)cc1	4204388	CZFCSSKUAJZSPB-MFUXGYHDSA-N	611.485	5.356	50	40	KKGB	biogenic
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)c1	4648543	LPPRIADKDWYVIE-WJOKGBTCSA-N	549.696	6.683	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1	13811568	VRBCIPLXKPHELE-NBVRZTHBSA-N	515.367	5.412	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2cc(Cl)ccc2C)cc1	20207026	NURHXPASSZTJMM-UVHMKAGCSA-N	508.402	5.095	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)ccc1O	27023434	ZTJYZQAWKXPNML-SFQUDFHCSA-N	508.024	6.946	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	30738494	ZESMHPARGCRFBX-RFBOGCTLSA-N	529.593	5.764	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(I)c1OCc1ccc(Cl)cc1	59222110	FECYVAQBARKEMX-RQZCQDPDSA-N	548.764	5.349	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)CCc4ccccc4)cc3[N+](=O)[O-])sc2c1	59459221	NMVSVWBESJCSHY-WGOQTCKBSA-N	506.609	5.837	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl	97962140	ARXNDOLXSRYIOD-WAKXPGHKSA-N	535.431	6.965	50	40	KKGB	
COc1cc(Br)c(Br)c(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1O	97962172	IFVLPKSYPANMJQ-ROTLSHHCSA-N	534.204	5.122	50	40	KKGB	
CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccs2)c(OCC)c1	97965825	AVSOYKLFAIYYAJ-LDADJPATSA-N	538.647	6.273	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	98001233	UFDGTPBLZJVAHV-BHGWPJFGSA-N	619.108	5.402	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1	98001669	OASKQWHAOSKFFT-LUOAPIJWSA-N	689.980	6.485	50	40	KKGB	
COc1cccc([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4ccc(Cl)cc4)s3)C3=C2C(=O)CC(C)(C)C3)c1OC	98006083	UJTAYFMFKXNNIP-HSZRJFAPSA-N	594.162	6.442	50	40	KKGB	
Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1Cc1ccc(I)cc1	100063588	UTZASIKTTZIJPY-RWPZCVJISA-N	586.271	6.058	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)[C@@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)cc1	100097921	JCJCYCKLFLYCLI-DXBVXKBHSA-N	606.091	6.508	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)c2C)cc1	100123104	IQCIMNVSIXPZAC-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)c2C)c1	100123849	QYMHRXOOUWBOGX-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100129661	IMJSJJVXDWVJMO-FDVSRXAVSA-N	559.475	5.335	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)ccc3C)o2)S(=O)(=O)c2ccc(C)cc2)cc1	100141536	XTUGGHQTFODKMP-KYHGBAKBSA-N	593.105	5.338	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	100232872	DOZIZACZWSORON-WQRHYEAKSA-N	590.699	7.388	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c2ccc(C)cc2)cc1	100242968	SVJACNITWHQCIF-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100289607	XFPHTBYIKAABDA-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
Cc1ccc2cccc(N/C=C(\C#N)c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c2n1	100748591	CVUUVTDSLXRYKW-SFQUDFHCSA-N	515.392	6.512	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(Cl)cc1Cl	100886219	KBZMJGDFPRFKFY-WGARJPEWSA-N	533.531	6.923	50	40	KKGB	
N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1	100906595	RXNMLSLPAPDOAI-CPNJWEJPSA-N	542.798	5.241	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100988248	BNPLJXGVCNHCHD-AEPTXUNZSA-N	573.299	6.821	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100991301	NHWYMNJKXSZNCU-YMGIJWJESA-N	597.332	6.585	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1	101161323	IVAFWGHFMDWKIX-KVHSSYOWSA-N	530.383	6.337	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1OCc1ccc(Cl)c(Cl)c1	101666609	MLWLSGHGQJCQMV-AMVVHIIESA-N	543.838	6.243	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1Cl	102718217	LHWNOBRDPUZPMF-MUUNZHRXSA-N	593.536	7.017	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccccc1F	102718305	BSKMSNHVJYONJD-MUUNZHRXSA-N	542.636	5.849	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	102808117	WLUINVMKHNVPKQ-MHZLTWQESA-N	563.510	7.008	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1	104402956	OAOBZXMHJTURIN-MZJWZYIUSA-N	564.807	5.695	50	40	KKGB	
N#CC1=CN2[C@H](C=C1)[C@H](C(=C(C#N)C#N)c1ccccc1)[C@H](c1ccc(Br)cc1)[C@@H]2C(=O)c1ccccc1	105789815	WPNWFDHBIAIXKW-GEIIOTBESA-N	557.451	6.563	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CBr)CC[C@]4(C)[C@H]3CC[C@@]21C	118926166	ZOLSIZBHXGOWHP-AESDPALKSA-N	507.597	8.335	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H]2O[C@H]2[C@@]2(C)[C@H]3C[C@H]3O[C@@]4(OC[C@@H](C)C[C@H]4Br)[C@@H](C)[C@@H]32)C1	123213837	IRGXIYGEVPSGHA-BQWHKOCOSA-N	551.562	5.725	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@@H](Br)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1	138832775	DZSQSWJRXRUNRM-BDYUSTAISA-N	573.399	6.392	50	40	KKGB	
COc1cc(CN2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2c2ccc(N(CCCl)CCCl)cc2C)cc(OC)c1OC	150384935	KDJYPQPLSJDLGO-UHFFFAOYSA-N	676.682	6.737	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)ccc1I	208455333	WIEZKECKUFDXGX-MXAYSNPKSA-N	503.384	5.004	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	209484254	MUUDNZDPHWZUCY-SRZZPIQSSA-N	525.342	5.950	50	40	KKGB	
O=C(N/N=C1\C=C/C(=N\NC(=O)c2ccc(Br)cc2)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1)c1ccc(Br)cc1	226630876	PRHVNJNFBWPFSK-SCKKYBFKSA-N	568.269	5.092	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	245232337	SQGCIXUYPNCNFP-IRFILORWSA-N	561.041	5.189	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C#N)c1C	408547219	VMCTWVLDZGXILZ-VXLYETTFSA-N	539.440	6.709	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552782	VFGUWZMXAUGVOW-RQZCQDPDSA-N	631.777	7.802	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1	408554164	QNUVAJVNSTYGPV-YVLHZVERSA-N	559.247	6.628	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1cccc(C)c1	408568797	LCSHXSVFAPRVCR-NVMNQCDNSA-N	539.348	6.267	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	408570172	SKXAUKIYLDAXKE-RWPZCVJISA-N	532.647	5.606	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408570771	YIFDDAZBNJLMFF-DPNNOFEESA-N	592.186	7.334	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2Br)cc1Cl	408579568	HYWSDQCDSOHBJP-LZYBPNLTSA-N	550.667	7.799	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408580121	AKDZYVPAZOYELM-RQZCQDPDSA-N	617.352	6.380	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1F	408580684	QTYXILUGXVKLLP-VCHYOVAHSA-N	519.741	6.735	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O	408639632	GCWIYXDNROAIIR-WXDXSDFVSA-N	557.861	5.284	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)O[C@H](CCCl)C(=O)c1ccc(Cl)cc1	408657616	NGAIVPYPYICHAW-QEEGXOSQSA-N	673.420	7.217	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1cccc2ccccc12	408724394	DXURCPNGODVZNW-ZBCCTDPOSA-N	535.482	6.856	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408725731	GZMMUVXWLVOPOY-RDRPBHBLSA-N	555.722	5.188	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1	408743555	GPZHEUJPQHGMPK-UNOMPAQXSA-N	603.254	6.577	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408750260	YUOVNIBVBPDTHQ-RPPGKUMJSA-N	591.350	6.643	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408777957	NCSQBGCLSNDPDH-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1	408787762	FVJUZEAIWDYSQV-CIAFOILYSA-N	554.282	7.207	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794864	KEDATFCWTNCTJP-PCLIKHOPSA-N	630.438	6.693	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1c(C)ccc2ccccc12	408804751	HEJCCFGSXGUTHJ-BUVRLJJBSA-N	555.472	7.743	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408828947	WQPGMOFDLLPFBT-WSDLNYQXSA-N	672.790	9.122	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	408831776	VJALFOXNBQAXGC-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2cccc(C(F)(F)F)c2)cc1	408837831	OLPSQWRDORCSBT-XZYGTATASA-N	624.641	5.377	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(O)c(Br)c4)cc3)cs2)cc1	408839749	WFMNEVPGKQEFJY-LGJNPRDNSA-N	507.413	6.094	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408842956	KTXABWKNMQNIMR-XJECJHNESA-N	642.966	8.184	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408843098	LOZYMFJWVGNKIZ-CDLBOOTPSA-N	767.054	7.977	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408844083	UXWAFLIDDIGSTD-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1ccccc1F	408847949	WBEZVYGLTCSTDG-XAZZYMPDSA-N	528.531	6.316	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	408847959	WCSMRSILBUAARC-HNSNBQBZSA-N	532.669	7.513	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408860580	ZDAUOTRXLVEWPO-ZLNXIQNYSA-N	801.974	9.465	50	40	KKGB	
C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1cccc(NC(=O)c2ccccc2)c1	408864166	STKYOGQIRPBFSH-IWBJQXMWSA-N	548.668	5.867	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1ccccc1Br	408868882	QIBAFXOYCJVJBB-KGENOOAVSA-N	524.256	6.910	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccc(Cl)cc2)cc1	408880039	IJAQKZMRJTUFKU-LQKURTRISA-N	514.047	5.029	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OC(=O)c1cccc(F)c1	408883127	RNAQCGICWMSUPZ-LICLKQGHSA-N	588.227	6.433	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(Br)cc1	408884594	ZULLURHRMCLASM-HBHSWBPBSA-N	667.935	7.992	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408885791	ASZSQCXPKPCVGX-RGVLZGJSSA-N	554.384	5.747	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(=O)c1cccc2ccccc12	408887812	RGEQKINNSLQJNT-KGENOOAVSA-N	507.502	5.830	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1cccc2ccccc12	408904035	CQOLYKDQVBFUIF-ACXHZZMFSA-N	635.414	6.840	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OCc1ccccc1C	408921942	CLMXAWAQGSWKCZ-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1	408944587	JBHSXNCPKHDFEO-MUUNZHRXSA-N	697.011	5.438	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc(C(=O)OCC)cc1	408944614	JDEAOLBJCTXPKT-LJAQVGFWSA-N	882.515	5.537	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2cccc3ccccc23)c(OC)c1	408957864	WNCKYIHENIVLOF-HLOVGQHQSA-N	736.019	6.563	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1	408978264	HLSKOYXWIMPXFC-RLBGMPNZSA-N	602.669	5.051	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2ccccc2)cc1	408979649	NQESZGOULDSZNB-OJANRJRPSA-N	556.471	6.122	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(Cl)cc1	408981938	FCKOIBWNDXDFBV-YBFXNURJSA-N	560.275	7.588	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4cccc(Cl)c4)cc3[N+](=O)[O-])sc2c1	408990788	MBNIXJSYKZOQHJ-DEDYPNTBSA-N	626.119	8.116	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409026505	QWQNCUXNKRXGNZ-RMHLZVGTSA-N	621.115	5.455	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)Cc2ccccc2)c2ccccc21	409031487	GXQQVLZEHWDVOC-PSORJPDMSA-N	560.053	5.544	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccccc1Cl	409036920	WRBVCWYABLLLAR-ALQBTCKLSA-N	583.113	7.949	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccccc1Cl	409038576	PLGJZMZLCITKLQ-IPHFVPNQSA-N	532.043	7.627	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC	409065162	DPJGEXGYBXPBFG-VFLNYLIXSA-N	600.908	5.014	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OS(=O)(=O)c1ccccc1	409069724	VTTWCFHUYFMVMF-QGOAFFKASA-N	604.422	5.012	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCc1ccc(F)cc1	409071964	TVABTTGBYFLBEM-HZHRSRAPSA-N	500.526	5.474	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1	409073069	USRZTFUCGQDHPU-BUVRLJJBSA-N	526.545	5.033	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(F)cc1	409199853	DSDISVZETBRVLL-KKMKTNMSSA-N	584.838	5.914	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	409223725	IFYVJGJNEFYPPN-JFPAOLEISA-N	593.552	5.067	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409224873	NKDYLJMFHDCVGE-YBFXNURJSA-N	557.956	6.629	50	40	KKGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cc(Br)cc(Br)c1O	409230619	DLQCWUVFJRKTSE-PPDIBHTLSA-N	545.206	5.823	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br)Nc1ccc(Cl)cc1	409254357	IJOIXFOOAZCGMK-RAWMCFOBSA-N	610.646	5.555	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br	409256694	OTAAEWFWGRCAGO-LDADJPATSA-N	506.356	5.026	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409258930	WNZHDTCSFACJLB-FDVSRXAVSA-N	601.441	5.097	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409264206	PSMZCNWCDJPWFU-JAIQZWGSSA-N	629.882	6.523	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)CC2=O)cc1	409264532	LWHYRUSIJUXHAZ-OAUCOEEBSA-N	556.446	5.483	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br	409267706	XFEJXOGJFMKIMP-MOSHPQCFSA-N	504.384	5.629	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1cccc2ccccc12	409312711	HCFGVAQMKYQIFT-LJUMEUDFSA-N	563.448	6.361	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OC	409326029	FSNGBRKMAKZJEZ-MWLSYYOVSA-N	623.909	5.606	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	409336535	TWZUOJFMEYHALA-BVMLUPFRSA-N	574.461	5.889	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	409373748	UDAOGJWTDXXKAW-KPGMTVGESA-N	516.428	7.231	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(I)cc1	409374277	LDBKVBZDAKCZGY-UNOMPAQXSA-N	521.358	6.128	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(OC)c3)[nH]c12	409394978	IIBFAFNUGJSBEJ-UHFFFAOYSA-N	675.377	7.914	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409396030	VNKADSNJKGVFAC-UHFFFAOYSA-N	522.492	5.865	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccccc1F	409401645	HXTRYGGSAVWFQC-GLJXUZQSSA-N	607.682	7.485	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(C(=O)O)cc3)o2)cc1	409405386	TWBNNYWFAWQSJG-HQDYHJHZSA-N	608.607	6.215	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1Oc1ccc([N+](=O)[O-])cn1	409405777	VFNGGEUPLPLRQL-UHFFFAOYSA-N	616.030	6.788	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409406644	XJSALPDRGFMCCW-LCYCTPALSA-N	781.385	6.570	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1	1529544860	REYUZNUJFFWSPV-LNZKYNOCSA-N	749.027	5.417	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OCC)c3O)nnc2-c2ccc(Cl)cc2)cc1	1772659	AKENZFRSEIUQMC-MUFRIFMGSA-N	552.056	5.333	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1	1790451	QPAUPVFPBROVGY-YDYXIROLSA-N	508.430	5.736	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1c(Cl)cccc1Cl	1823167	KFZFSEYOANMAFA-OPEKNORGSA-N	519.504	6.533	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	2888264	HOVCOOOTDHCZQZ-UZEPBSNMSA-N	502.039	5.434	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1F)N2	4063774	PREJUUCGALKQSW-BIUWRGFISA-N	512.006	6.731	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136357	DYSIKSRHWFWIRQ-PDDXABJKSA-N	511.987	6.550	50	40	KKGB	
CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21)=C\c1ccccc1	8384877	XEJZACOQLZHDHW-ROGQQWQQSA-N	608.290	5.401	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	9203072	RVMNWUCHXMQGGI-SSDVNMTOSA-N	507.138	5.073	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccccc2)N1	9310828	JBLQBQVSJQKZSC-MHZLTWQESA-N	514.050	6.599	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(C(F)(F)F)c2)cc1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1	12960954	WOSKMIRNMUKUSD-KGENOOAVSA-N	559.569	6.644	50	40	KKGB	
CCOC(=O)/C(C#N)=C\C=C(/Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(Cl)cc1	16682034	MMJSWHVYSWNVOO-XVHQLPPBSA-N	508.641	7.495	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	20197350	YFVAASRNJGZSFJ-IPPBACCNSA-N	521.828	6.787	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CCSc3ccc(Cl)cc3)c2C)c1	20243916	PZQSEBQJEKZEFW-MZJWZYIUSA-N	518.908	6.759	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	59335680	ZOTWSQKMRQDOEH-HMAPJEAMSA-N	521.842	7.264	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O	97961796	IBYLTNRBHABYGK-ZXSYOUNQSA-N	516.193	6.025	50	40	KKGB	
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(O)c(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N2)c1	98048758	ROFJIVSRDLHSIZ-LJAQVGFWSA-N	586.670	5.125	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125260	LJUHSYPMSYCDKK-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303127	OEIGFUKXLQRJPK-KCSSXMTESA-N	595.121	5.419	50	40	KKGB	
CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)COc2cc(C)c(Cl)cc2C(C)C)c2cc(Br)ccc21	100603579	DSCFUPJUUUBCAJ-MDVFONAFSA-N	606.005	6.640	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cc(Br)ccc3F)n2-c2ccc(C)cc2)cc1	100851949	YYBQOYPNMOUNJG-MUXKCCDJSA-N	554.445	5.395	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Cl)c(Cl)c3)nnc2-c2ccc(Cl)cc2)cc1	100852010	BFXCKOLZCWIBCL-OKCVXOCRSA-N	574.921	6.926	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1	100989444	CFIXAAZZMJWZGT-CKVBZJJFSA-N	538.854	6.167	50	40	KKGB	
CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4s3)c3ccccc32)C1	100994091	LUWXUXUTUWTXLM-DVEXTZFTSA-N	533.723	5.114	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1	101178642	YLKGKXLIGGAWEI-YDYXIROLSA-N	552.881	5.845	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@H]1c1ccccc1Cl	101563756	CWYZFXZQEKGYDR-GDLZYMKVSA-N	580.109	7.261	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(OC)c3)=C(C#N)[C@H]2c2ccco2)cc1	102513666	OZXGUDYNHFQKEH-MHZLTWQESA-N	572.643	5.171	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1cccs1	102719476	ZESCJUZFSVVCBQ-AREMUKBSSA-N	530.675	5.141	50	40	KKGB	
CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC)ccc5n5c4c1n2[C@@H]1C[C@H](C(=O)OOC)[C@]5(C)O1)CNC3=O	103589452	WMBUVOLZSWTKMP-KQFGJPIXSA-N	615.777	6.978	50	40	KKGB	investigational
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc(C)c1	103883538	IHZBFPTYMQJIRR-JLPGSUDCSA-N	593.465	5.443	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1	103898596	JNAKCPBXSNZVRP-JZNDDVEWSA-N	533.875	6.321	50	40	KKGB	
CCCCCCCC/C=C/CCCCCCCC(=O)N(C)N(C)C(=O)CCCCCCC/C=C/CCCCCCCC	104046406	MZXOXFMGHYPCII-FLFKKZLDSA-N	589.006	11.893	50	40	KKGB	
C(=C\C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)\C[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104387516	SEOFWCIVUTYTPZ-VXPUYCOJSA-N	580.692	6.995	50	40	KKGB	
C[C@H](Cl)C(=O)Nc1ccc(C2(c3ccc(NC(=O)[C@@H](C)Cl)cc3)c3ccccc3-c3ccccc32)cc1	113481887	FGCLSABFJGZVSV-BGYRXZFFSA-N	529.467	7.181	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	408539793	JTCNNDFFJAYEAW-LJUMEUDFSA-N	590.430	6.288	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551806	GGQFWAKSYQOUMY-GIJQJNRQSA-N	544.822	5.896	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2C#N)ccc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	408553275	NKXVNPWYPZVLIP-HZHRSRAPSA-N	514.610	6.648	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccc(Br)cc1	408581527	XQBHLQKPVOOMCP-RCCKNPSSSA-N	519.236	8.008	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1C	408613201	ZRVQAUOCQPWTGJ-VFLNYLIXSA-N	527.408	5.025	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1	408641026	JFDCUHGMABZNEJ-LWSSLDFYSA-N	767.254	6.383	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408678819	DHTLDBRLUJSRJG-VQHPVUNQSA-N	634.108	5.381	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1Cl	408711747	IQXCEFFYCRFKGE-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408726437	SUSRCCQYGLNSTD-JNOBWZAGSA-N	614.265	5.751	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747906	VPAFNHLGMGOUPS-KYHGBAKBSA-N	628.748	6.830	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cc(C)n(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2C)cc1	408754651	ODZKTSDBFYNGKB-UQMDAXCXSA-N	685.725	6.965	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408762877	CFUIYBBFDWVJCA-UYRXBGFRSA-N	515.367	6.214	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccc(Br)cc1	408772256	FTKRHKCSSUJFPS-MTJSOVHGSA-N	631.308	7.194	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408772898	IWFPOSCIRAKCSU-STZFKDTASA-N	514.925	7.420	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc(F)cc1	408777048	UHRHOEUKLXTLNE-RQXXSLPSSA-N	552.653	8.122	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)c1	408792654	BTRRXVVTSILEES-ZMOGYAJESA-N	501.413	7.888	50	40	KKGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC	408793975	QZRGPQFSHLBAOZ-XNTDXEJSSA-N	504.178	5.168	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408796818	PJBGGXXIZFQRNM-GIJQJNRQSA-N	599.337	5.031	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408798616	WJOYYWGTJOSOHO-CXUHLZMHSA-N	672.542	7.594	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408802968	JRZQCGQOBVXAIL-HYARGMPZSA-N	501.413	7.888	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408827880	MXDKXKHJMAXOCC-RDRPBHBLSA-N	501.608	5.051	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408833396	JTGAZTYWSDVQDW-AFUMVMLFSA-N	713.399	9.009	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1	408837514	HNUCCDDNWKWFAS-MZJWZYIUSA-N	564.889	5.074	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(C)cc1	408837922	ARIFKGKQVWEXIH-MWBNBJEGSA-N	641.591	8.285	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2cccc(Cl)c2)cc1	408838184	SHECCHWJAXYQJM-DPNNOFEESA-N	609.079	5.151	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842402	JVNKFARHDXXNPU-QQMJPZKZSA-N	676.840	10.164	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccccc1C#N	408844659	KSYVZXRVKNWPDH-QNHWSJEBSA-N	594.715	7.795	50	40	KKGB	
Cc1c(Br)c(/C=N\NC(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1	408855527	FZTDOLBATRSFAF-MYKKPKGFSA-N	569.095	6.537	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)ccc1OCc1cccc(Cl)c1	408855704	CNXJSIKSUAVLNZ-XZYGTATASA-N	701.039	6.743	50	40	KKGB	
CCOc1cc(Cl)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408857586	OKTBHGYVRBINDA-DXJNIWACSA-N	502.014	6.667	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(Br)cc2)cc1	408863302	MXWPJWFQEQOTNP-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2cc(C)cc(C)c2)cc1	408864841	AHYYMWAHNYEACK-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(OC)c1	408868883	NYVPWQCJKUENFX-SRZZPIQSSA-N	537.410	5.277	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Br)C(=O)Nc1ccccc1F	408872512	FPGREKYKVAJMJX-LDADJPATSA-N	514.192	6.487	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc2ccccc12	408881175	KCPFCWSZWUZWPT-HYARGMPZSA-N	502.492	6.992	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OCc1ccccc1Cl	408890234	QDQAPZIGFBCXCZ-RQZCQDPDSA-N	546.794	7.078	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Br)C(=O)Nc1ccc(F)cc1	408891581	SUEBXXMWUHKNRQ-GZTJUZNOSA-N	530.191	6.475	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408892751	CEKRPTZRZCZMES-MHWRWJLKSA-N	536.200	6.551	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Br)cc1	408898412	LABXZZCLXXVQEW-DEDYPNTBSA-N	525.424	5.688	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408952573	OJBPPYBZDGNLRS-ONUIUJJFSA-N	550.615	6.048	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408961791	FDISYRKVGMAPIH-VPUKRXIYSA-N	682.072	7.178	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408963132	AEFSBKQETACSGV-KBKYJPHKSA-N	712.194	5.801	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1F	408964338	QWXURHVOCYRHJL-VVEOGCPPSA-N	586.323	6.191	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccccc1	408964751	DSKKPMPLEHJPKL-VFLNYLIXSA-N	550.331	5.258	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1)c1ccccc1	408978307	HZINMBFCJROYCK-CIMVZPIYSA-N	558.462	6.299	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	409010140	AGCITTOUSLSKGX-BNHGJLKASA-N	664.222	6.532	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409010551	BVNOECBVUADFLD-PCJWKWLCSA-N	585.315	7.009	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)ccc1OCC(=O)Nc1ccccc1C	409011329	HDEGPIYPASSGAT-XODNFHPESA-N	605.283	5.406	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409070010	ZDWFILZBGWKUBW-WOJGMQOQSA-N	531.417	5.932	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1	409072453	NOULIYRSINEXOB-LFIBNONCSA-N	577.840	5.433	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	409162735	ZIBFJABVSHPGTF-VULFUBBASA-N	566.930	5.166	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(Cl)cc2)cc1	409183649	FGLMHGYFIKZSRM-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409211738	MWTAMFGGJZOLDI-UVHMKAGCSA-N	625.872	6.073	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1	409219989	WZKKPVXXBDARLL-UHFFFAOYSA-N	617.412	5.601	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)c1	409226456	TXMWJUSKVMBGGJ-UHFFFAOYSA-N	590.861	6.646	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)NCCCc1ccccc1	409228683	CNFADPWEEGOMEL-JAIQZWGSSA-N	717.172	7.438	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409242359	RFJMJXLDDYPQRC-UGHANBJRSA-N	503.690	7.346	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1Cl	409258003	SPBGBVRXGLRIJI-PDGQHHTCSA-N	510.377	5.955	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409264510	LTBSOWFGJZRUMA-UDWIEESQSA-N	538.431	6.572	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409268767	ACDXAVUMGNHUIR-WKIKZPBSSA-N	530.806	5.201	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409268788	ALMGCDGHQKVHRE-XKZIYDEJSA-N	562.022	5.705	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)ccc1OCc1ccccc1	409304176	QHRRYGWHCBSDDV-ZMGVVAQMSA-N	669.326	7.050	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)ccc1OC	409309094	BIIFCSIJADFDCM-LQNQUEJISA-N	533.422	6.353	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409323443	OCOJFSGEBLKSHI-VYYCAZPPSA-N	513.934	5.007	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(Br)cc(Br)c1OCc1ccccc1	409374928	BTHIHOXBXRLNBR-GRSHGNNSSA-N	529.232	5.886	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	409386257	PDBARBZSAFJHFY-RWPZCVJISA-N	546.561	5.798	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(Br)cc1OCc1ccc(F)cc1	409389798	ANAZLZDCQXPNDO-ZDLGFXPLSA-N	522.374	6.515	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409390340	FATAHBJVLSXUFJ-IDUWFGFVSA-N	554.186	7.389	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394813	GGBXXDZQSIIQGI-UHFFFAOYSA-N	583.398	6.489	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(C)=O	409395214	LBRSLADLSBEVDZ-UHFFFAOYSA-N	755.419	8.430	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396806	BJZGOMWUBAPIED-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409396936	DDUNCTFDBYNOMQ-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409398255	RYQASHNMOYIYFQ-UHFFFAOYSA-N	636.424	7.608	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409398545	UINCMDCIZDDPQE-UHFFFAOYSA-N	535.575	6.664	50	40	KKGB	
Cc1cccc(COc2cc(N(C)C)ccc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409399898	AEQWJRKSPNPZJA-IDWIKUEFSA-N	576.697	6.983	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1[N+](=O)[O-]	409405279	SOIGQLOYIYHGNX-VHFSBPNMSA-N	656.095	6.918	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)o2)cc1	409407468	ZVRSXHOMEYONHU-KMUKQRDJSA-N	641.522	6.810	50	40	KKGB	
COc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cccc2[N+](=O)[O-])cc1	409409482	PKPOWDXKPLQMCG-FZKWRIDDSA-N	608.607	6.166	50	40	KKGB	
CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC	642883016	KASDHRXLYQOAKZ-LOOYWRIDSA-N	810.466	5.719	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1	1529546750	HGZXMOMCHOAKFP-MKEMXLLOSA-N	828.442	5.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccc(F)cc3)cc2)c1C	1529548842	MBGFOJWQPRZOKU-IWCMBNRNSA-N	669.779	5.697	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)c1cccc2ccccc12	1857795265	ZEKRYLFTCRWHOG-NBWQQBAWSA-N	521.666	6.739	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC(=O)c2cccc3ccccc23)c1	1439565	XUYGOTYYCLDIGO-LTGZKZEYSA-N	506.514	5.400	50	40	KKGB	
N#CC(/C(O)=N/c1ccc(F)cc1)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1	2405850	UVGUEHRIQAPNQY-FNBPXTNNSA-N	506.490	5.587	50	40	KKGB	
Cc1c(Cl)cccc1N/C(SCC(=O)N(C)C1CCCCC1)=C(/C#N)c1nc2ccccc2s1	3223101	PGDSKEJMCFGYNZ-NCELDCMTSA-N	511.116	7.087	50	40	KKGB	
COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2)cc1	3241914	FFNLJINAEMNEGC-FDAWAROLSA-N	521.598	6.093	50	40	KKGB	
CC1(C)CC(=O)c2c(nc(SSc3nc4c(c(-c5ccccc5)c3C#N)C(=O)CC(C)(C)C4)c(C#N)c2-c2ccccc2)C1	5940220	QBOZNGPQYPLNLB-UHFFFAOYSA-N	614.796	8.664	50	40	KKGB	
CC1(C)[C@]2(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC[C@@]1(C(Br)Br)[C@H]2Br	8441035	PFEVRJZRRMNYTD-UIAACRFSSA-N	567.135	5.160	50	40	KKGB	
CCc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)cc1	11852439	QIAJTOOMSSZFNU-FSGOGVSDSA-N	528.677	8.595	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1	12273777	CFOXALLTRPHDFB-SCHJHDHGSA-N	525.630	5.545	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C3/C(=O)Nc4ccccc43)nnc2-c2ccc(C(C)(C)C)cc2)cc1	18148562	WFYDSNJACRFLBB-UHFFFAOYSA-N	524.650	5.105	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1	20059575	YKSFCFCWCKTQJW-OVVQPSECSA-N	504.439	5.314	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)C(Cc2ccccc2)C(=O)N/N=C/c2ccc(OCCCCCCCC)cc2)cc1	33353754	FMGYLMQPXTXQBE-LFOSYLFNSA-N	654.896	8.625	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(OCC)cc3)=C(C)N2)cc1	96933949	RRWFOWOZJIKXRF-PMERELPUSA-N	570.715	6.727	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl	97964199	YVNHJQFPSTYSDU-BJOHUXPJSA-N	598.011	5.218	50	40	KKGB	
CCCCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	98000263	VZGXSBRPYBPWGG-SSEXGKCCSA-N	552.700	6.572	50	40	KKGB	
COc1cc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)ccc1OCc1ccccc1	98048431	XCWWCIXJWCHJRY-QHCPKHFHSA-N	562.489	6.256	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cc(Br)ccc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852154	UZLGOOOSNIUELN-UHBFCERESA-N	578.536	6.251	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c(C)c1	100967950	WIKZUQDOTRCLJH-RDKICWGTSA-N	522.457	6.675	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1	101246354	JYWGNKJYLZWPPM-VWOOYDPRSA-N	536.484	6.984	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccccc1Cl	101305171	SRKSUMSACOJZKM-MHZLTWQESA-N	558.103	6.725	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1	102599863	NDMRXZKPBHAMHS-VWLOTQADSA-N	522.070	7.016	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	102808431	ZYDDOWRHKGZLIC-AREMUKBSSA-N	549.483	6.700	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	102931495	OTEIJZDXZOISHP-FDALDRLYSA-N	627.855	7.783	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1	102956376	KOHDIFMKHXSXMA-HKRNCWMRSA-N	536.338	5.196	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4ccc(C)cc4C)c3C)sc3c2CCCC3)cc1	103865923	TYESTJDEUUGDEU-ITYLOYPMSA-N	562.739	7.758	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc2ccccc2c1	103886531	FGCSWLVFRYGTEH-MTJSOVHGSA-N	526.374	5.417	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cc(Cl)ccc2C)cc1	103900193	QQVGAMYESGUBSM-MUFRIFMGSA-N	567.023	5.471	50	40	KKGB	
CC[C@@H](Cl)COP(=O)(OC[C@H](Cl)CC)O[C@H](C(C)C)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161202	RBPKDLIVOWCFJP-WAPOTWQKSA-N	596.293	8.422	50	40	KKGB	
CC(=O)NC[C@@H](I)C/C(C)=C1\O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C	118917983	KGBSGBJFEOXATN-PVKPQZTISA-N	623.616	6.746	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC[C@H](Br)[C@H](Br)[C@]4(C)[C@H]3CC[C@@]21C	123219103	ZUDMAHKBJVVHNY-KGCFQABDSA-N	530.473	9.245	50	40	KKGB	
CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341435	IUTCBMAPOHTGEU-JTQLQIEISA-N	836.249	11.846	50	40	KKGB	
Cc1ccc(-n2c(C)c(C(=O)NP(=O)(N3CCOCC3)N3CCOCC3)c([P@@](=O)(Nc3ccccc3)c3ccccc3)c2C)cc1	195529680	VMNMENWGRGJDNT-WBVITSLISA-N	661.680	5.246	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1	408539117	TUMFLVRMRQOITD-WPWMEQJKSA-N	583.482	6.839	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc2ccccc2c1	408542403	JDOJBRFRLJXJGR-QFEZKATASA-N	575.402	7.184	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551640	LRSRSBNEDSDASU-BJUCDSOZSA-N	676.338	6.860	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1	408610204	MTNVOZSMHPKBJP-UXHLAJHPSA-N	524.017	5.585	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408672898	PANZOLCSBXEYDC-ZKXGSZBFSA-N	574.313	5.346	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408678452	ZEYLKTZDEUZVEY-MUFRIFMGSA-N	542.861	6.054	50	40	KKGB	
O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1c2ccccc2cc2ccccc12	408729952	FKLLPDHYZURGKB-JFLMPSFJSA-N	525.550	5.090	50	40	KKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	408732834	UCDFWSCCEJUQIA-HWIUFGAZSA-N	544.567	6.270	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408742049	OYQMAXDZOZWAMU-HPNXWYHWSA-N	587.035	8.397	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c1	408745702	OKAORXVQMCARGZ-NVMNQCDNSA-N	623.274	7.130	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1	408746140	XMTAQMZBUJWBOH-UCQKPKSFSA-N	517.412	7.670	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1I	408747210	KOFPKCGXSDTWSG-RMORIDSASA-N	515.134	5.631	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408748984	DEBWCWAMACXRFM-ICUTVXMZSA-N	564.085	6.713	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408764948	NYRHWPWJLUTWAZ-BKUYFWCQSA-N	548.393	6.219	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(C)c1	408787604	CNJHEFFQNZQDOM-QGMBQPNBSA-N	609.145	8.260	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408792432	BLGRJWAGRUIIGQ-VXLYETTFSA-N	632.252	6.649	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408793323	DUUDXTBCFPLLET-VIZOYTHASA-N	706.987	8.248	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408793362	DXVCDHWPKDMPNE-SRZZPIQSSA-N	507.804	7.925	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408793649	FUDUHUGVZZNDJV-YDZHTSKRSA-N	638.345	8.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408794844	TWAMSAJKCSJRMX-UDWIEESQSA-N	536.382	6.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408799858	IQNCCLRPGISJAA-HZHRSRAPSA-N	618.471	7.285	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1	408832479	YXOBBTYNCDLNCS-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	408833719	SLQBQHFXRZMGSW-KGENOOAVSA-N	569.883	7.415	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)S(=O)(=O)c1ccccc1	408839599	AWZJUPYVXOMWFL-UZWMFBFFSA-N	542.705	5.619	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408842308	IXXACQZHCVEQAD-XJECJHNESA-N	627.122	7.565	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)cc2)cc1	408843860	NYMZDNNPQKIBDI-VTNSRFBWSA-N	606.860	6.347	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(F)cc1	408855514	DXGAWJJJUWPDEI-FDVSRXAVSA-N	507.359	6.406	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)cc1	408861400	RNZHAODLQZCQRU-AJBULDERSA-N	543.645	5.283	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(Br)cc2)cc1	408863304	LSDUBGMLJBVQQO-KPGMTVGESA-N	648.410	6.817	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c(OC)c1	408868641	AMTRMTHXMXODNR-DJKKODMXSA-N	515.368	5.952	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408871764	ZLJWPEYKYLVWIB-IDWIKUEFSA-N	657.148	6.514	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408879107	FMTWMVLJGFXZCQ-CCVNUDIWSA-N	600.516	5.928	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408881884	OXOCCHBNKYQIJE-GZTJUZNOSA-N	657.313	6.619	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408910682	LHTWNNDXRLXRSL-HNSNBQBZSA-N	559.018	5.402	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408942068	FKRGVJDINGVPMM-JGCGQSQUSA-N	653.717	5.212	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)c(OC)c1	408947123	AJVYKYYEASQTHG-FEFDWTNPSA-N	685.959	5.410	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408950910	SPXYBPZBVPHHAS-NDEPHWFRSA-N	783.472	6.071	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)cc1	408954567	XTWVNQXYAAPBFQ-RHKOWXKBSA-N	580.644	7.857	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]23)cc1	408958423	YTEIRFIKOZQQGP-GQAJYGTCSA-N	561.641	6.115	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408974399	YSTPIOMVNMWSQF-VNODALHLSA-N	579.528	6.365	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc(OC)c1OC	408996004	GKPZXUZMVYEQRW-DPNNOFEESA-N	588.016	5.601	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cc2cc(Br)cc(I)c2o1	409010341	CGUREMSKVRJQMM-WBIBEUCMSA-N	720.792	9.342	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc2cc(Br)cc(I)c2o1	409014252	WTTKGHPKRGQFEP-MWYAZZEHSA-N	604.025	7.131	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(I)c1	409023457	YVNYGUNSOCGBGF-CVKSISIWSA-N	602.281	5.334	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2cccc(C)c2C)cc1	409026465	QDZKHOZXBZWGDN-UBJCUSJWSA-N	612.752	5.214	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1cccc(F)c1	409031406	AMOYDQPFTBOVBB-APTWKGOFSA-N	505.549	6.392	50	40	KKGB	
C=CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409035178	JAYYXCKUUMWECA-KCSSXMTESA-N	539.060	7.689	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	409049873	YKDXBGWTVZFFIC-KKMKTNMSSA-N	554.215	5.739	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1F	409057945	XBGRMCDNPKJVOV-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	409080217	NBOULINDEQFQBH-CXUHLZMHSA-N	620.334	6.509	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1ccccc1	409110599	WZFHUXFUJGSFLT-GTWSWNCMSA-N	531.597	6.634	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc(Br)ccc1O	409142040	PPQQHOHLTOHDLX-KIBLKLHPSA-N	628.071	5.931	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	409184157	XJMWNFJRJPZKIS-FJEPWZHXSA-N	569.830	6.239	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OCC)c3)cc2c1	409187161	MXUGREGAYKPBLG-UHBFCERESA-N	506.986	6.535	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)c1ccc(Cl)cc1	409226928	WPDBRWUKINYRMQ-XJYONFIHSA-N	600.889	6.613	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1	409239443	PZJBNJPEWXZWTJ-FPJJECCMSA-N	523.402	6.350	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409259505	ZWUWKNTYPGMDIH-WKIKZPBSSA-N	575.257	5.310	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409263431	MQQOTNLSQYRLNI-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C	409266534	ZPQDOHJVMWNACM-MBTHVWNTSA-N	524.415	5.246	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1OC	409314382	RCRIGYMNTUWOLV-MXAYSNPKSA-N	559.329	5.229	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OCC	409322928	YREMCTSBYBBQFW-LJUMEUDFSA-N	679.349	6.759	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)cc1	409361197	ANZIVJVOPRLYJL-PDGQHHTCSA-N	508.347	5.460	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Br)cc1	409362280	ITSBCYNRRIGSRN-MUXKCCDJSA-N	560.286	6.109	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1	409373763	UMPPPIBXJHAKLG-WKULSOCRSA-N	611.392	5.713	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(C(=O)O)cc4)c(I)c3)[nH]c2c1	409374190	KQRYYCPIBIGODP-NVMNQCDNSA-N	661.237	6.422	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(OC)cc3)c(OCC)c2)ccc1OCc1ccccc1	409379649	ZCHJUWXBPZNFJN-QJOVZPHJSA-N	632.113	6.506	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3ccc(Cl)cc3)o2)cc1	409403823	OEZANOXTELVADE-QJOVZPHJSA-N	597.115	7.328	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1cccc(C(=O)O)c1	409405083	SAAYIHJSAIRXAW-GLJXUZQSSA-N	633.701	7.044	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1cccc(Cl)c1	1529549415	YIMISKSZNKCBNU-LNZKYNOCSA-N	702.027	5.575	50	40	KKGB	
ClC(Cl)O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C](OCc2ccccc2)[C@H]1OCc1ccccc1	1560406146	CNMZSHOFNUZMHO-SSZIUWPISA-N	622.565	7.625	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl	2200062	SHLCWXUYDBZQIX-VWLOTQADSA-N	515.034	6.352	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ncc(Cc4cccc(Cl)c4Cl)s3)o2)cc1	2626317	HURPGKUHMLQRCK-XDHOZWIPSA-N	552.439	7.023	50	40	KKGB	
Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(/C=N/NC(=O)COc2cccc3ccccc23)cc1	2676290	KRPCAXSZNSLMKT-OKCVXOCRSA-N	502.954	5.315	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(I)c1OCc1ccccc1	2773458	RRCRTZVXXLGXIB-LGJNPRDNSA-N	573.412	5.262	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)c2C)ccc1I	4047918	VBYBWHFRQKGMDM-OEAKJJBVSA-N	531.397	6.706	50	40	KKGB	
CCN(CC)c1ccc2c3c(c(=O)oc2c1)[C@@H](c1cc2c(C)cc(C)cc2nc1Cl)C(C#N)=C(N)O3	6078533	DMBPFWFNAFTSJX-QHCPKHFHSA-N	500.986	5.676	50	40	KKGB	
Cc1ccccc1[C@@H]1C(/C=N/NC(=O)CSc2nc3ccccc3s2)=C(c2ccccc2)Oc2ccccc21	8399772	DCANPJPPOYCENZ-YCMVMKQGSA-N	547.705	7.435	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)SC(N)=C(C#N)[C@@H]1c1ccccc1F	8411590	UIGGUXMPHKOZOJ-DEOSSOPVSA-N	534.682	5.885	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	8429981	LHDJDIMHOGJSQB-VWLOTQADSA-N	552.578	5.683	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	12250085	SQYSDOCSJOHEFA-SANMLTNESA-N	512.635	5.281	50	40	KKGB	
O=C(N/N=C/c1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1O)c1sc2ccccc2c1Cl	16158276	OCUJLCVOHIISLD-QIWJEUGMSA-N	502.905	7.458	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OCC	16184140	ZVMKGIIANKJEQH-GPTKXHSTSA-N	517.651	5.412	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2OC)=C(C#N)[C@H]1c1ccco1	20136780	JHSXBRYZRNTSAQ-DEOSSOPVSA-N	515.591	5.056	50	40	KKGB	
CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)OCc2ccccc2)=C(C)N1	20170646	NURHXCXHEIIGTI-VWLOTQADSA-N	510.059	5.381	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C#N)o2)c(C(=O)OCC)c1C	34846282	JUUFGQZYWPNRGG-LDADJPATSA-N	502.548	5.260	50	40	KKGB	
CN1CCN(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)CC1	97946332	DHJWFGOONIRWDT-NCELDCMTSA-N	538.051	5.453	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	97951242	HSKQKBNFOODWKV-MUUNZHRXSA-N	544.076	6.460	50	40	KKGB	
CN(C)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	97958081	DKUBVDXHBZUYPC-MBTHVWNTSA-N	525.465	5.550	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1	97965004	YBEPARPLXVEGEM-ALQBTCKLSA-N	652.173	5.545	50	40	KKGB	
O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	97980845	IJKIHQNRBYGLKV-QXUDOOCXSA-N	573.678	5.724	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1	100129104	GZWMLTWFYUDNEI-LJUMEUDFSA-N	613.965	5.851	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	101710683	NTEYTPNNJKNJFI-LFVJCYFKSA-N	618.471	7.366	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	102810224	AOHDFKNKDVMDET-AREMUKBSSA-N	577.479	6.295	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1	103742055	IOYGNDVTHUKANL-HVBJHMBASA-N	552.881	5.845	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	103884004	KBAFIIRWBQLRQF-HAHDFKILSA-N	547.011	5.482	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1	103898608	YHDJDSJYAWJICQ-ZCTHSVRISA-N	549.096	5.656	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c(C#N)c1C	110262353	DIUYXVOPMIBQDS-TURZUDJPSA-N	581.697	7.948	50	40	KKGB	
O=C(N/N=C/c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12	150386815	KROQSHALYUVBMU-LNLPGBAUSA-N	664.718	6.678	50	40	KKGB	
COc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OC[C@@H](Br)CBr)c(Br)c2)cc1Br	150403050	BJADNTCOOKZKMD-QMMMGPOBSA-N	779.759	7.115	50	40	KKGB	
O=C(OC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	195996453	PMNQBQXKNGOCHF-IMJSIDKUSA-N	642.083	6.126	50	40	KKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)C[C@@]34C=C[C@]12[C@@H]1C(=O)OC(=O)[C@@H]14	257348548	GUHFPOVODRBWFL-UJAHMLSRSA-N	688.818	8.018	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2)ccc1OCc1ccccc1	408537842	HMBFNWFDYATRLP-TZRCHIKKSA-N	668.819	9.183	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408580709	RCODLZFVXSHTKV-CXUHLZMHSA-N	589.196	7.283	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cccc2ccccc12	408585887	JWPBXIXNZUCGEF-NHDPSOOVSA-N	586.256	8.403	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Br)cc1	408606932	MQAGWOSTODQKIJ-CCVNUDIWSA-N	544.833	5.477	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCc1c(Cl)cccc1Cl	408610882	OVGDANICJUWORB-PNQUVVCRSA-N	540.325	5.689	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408643104	ORVOLDAQMJPETF-WWGKXEARSA-N	535.855	5.652	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408643567	PTIYXZYUTZWNPH-CGXNFDGLSA-N	727.189	5.968	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccccc1C#N	408676105	FIVBWYHVSKPQFP-FDAWAROLSA-N	547.453	5.663	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1	408710612	QUSKQDOLXNRUIK-KVSWJAHQSA-N	523.800	6.016	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1Cl	408711631	CCHFYEAGNMIJHZ-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)c1	408746826	WHGCOXRCQCZXIX-ZSOIEALJSA-N	516.735	6.215	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(I)c2)c1	408746973	XLYAYGNWVRBPRB-UNOMPAQXSA-N	650.254	6.419	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1	408755836	WJZYPZRNCQZWLS-YDZHTSKRSA-N	513.391	6.736	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OC(C)=O	408765708	NIZZOSJYNBTOKO-NTUHNPAUSA-N	545.160	5.468	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408783607	NQTCQZQRGMPUDT-OCSSWDANSA-N	553.990	5.412	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1	408786255	NGLKPGNZTPXDRS-WQRHYEAKSA-N	529.793	6.765	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1	408798134	UXJCGKIMFLHNOQ-CAOOACKPSA-N	578.663	7.437	50	40	KKGB	
C=CCn1c(C)c(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c2ccccc21	408808174	FCSGRWYICPUHDL-FZEGLUMNSA-N	506.650	5.559	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1	408813541	QQFHXWVYSBUXQN-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Br)cn34)o2)cc1	408831754	VHKYXIOZCJURIQ-ACXHZZMFSA-N	620.529	5.462	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	408836440	REJRKQLGWUYWCM-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)cc3)cs2)cc1	408839104	MZJSJEKGEMFNNQ-FJEPWZHXSA-N	602.470	7.557	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1	408848556	ZTEAEQNRXVHPMS-KMUKQRDJSA-N	599.474	8.011	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408849105	VFYYJVMOIFRWEE-RQZCQDPDSA-N	526.318	5.630	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408857697	LSBLEMOUJHMJGR-KCSSXMTESA-N	611.507	5.357	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)c(Br)cc1OCc1ccc(Br)cc1	408859613	VQGIRJKBVNYOLN-MZJWZYIUSA-N	562.258	5.962	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3F)c(OC)c2)cc1	408871473	GTHKAGQDGQHMNH-XDHOZWIPSA-N	509.375	6.132	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408877074	PKFKTWGUMORAHV-JBFMKSPFSA-N	567.733	7.637	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408880380	JPFUJCMEVCLTGG-MHWRWJLKSA-N	551.835	6.277	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OC(=O)c1ccccc1	408886424	HCNPOAIZNVOVGL-QGOAFFKASA-N	524.314	5.065	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)cc1	408886644	KYUFUZAXMURGNB-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2Br)c(OC)c1	408886844	MOLFWMZEBSTMET-UDWIEESQSA-N	525.830	6.798	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1	408923057	ISMRVGYVVSBINL-BRJLIKDPSA-N	563.202	5.471	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c(OC)c1	408947914	BQEPPQPVBYOGHT-MTYJQCMISA-N	701.574	5.910	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1Cl	408949681	IQBZIEAWNGLCRU-MTJSOVHGSA-N	520.416	6.328	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc(Br)cc2)c(OC)c1	408951281	IHUXCLURDCFNAC-VVYBVRPNSA-N	903.306	5.966	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1ccc2ncccc2c1	408968282	XTWASCMXYWXHOD-LPEPFOFCSA-N	607.306	6.245	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCCOCCOc3cccc(C)c3)c(Cl)c2)c1	408972578	PCSQPHYJLMKPGK-PXLXIMEGSA-N	525.432	6.630	50	40	KKGB	
COc1ccc(COc2ccc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)cc2OC)cc1	408980659	RYZPEJYRRIKJTR-BJNWWJADSA-N	537.616	5.294	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	408988187	DATQOAUMGSXURH-YPTZEEGVSA-N	606.689	6.976	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(I)cc1	408990089	MJHTXTIEGIUFAA-WQRHYEAKSA-N	607.673	7.140	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1sc2c(c1C#N)CCCC2	408999455	LEQOGDJNYRRPAI-JJKQSNDFSA-N	641.389	6.508	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1cccc2ccccc12	409040738	YNRGEFANPITLIX-FDALDRLYSA-N	663.515	8.011	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(I)c1OCc1ccccc1Cl	409043530	ROZMDNLLDOTDTR-VFLNYLIXSA-N	689.719	6.089	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc([N+](=O)[O-])ccc1O	409046065	IMFLFKJBDMZGMU-KIBLKLHPSA-N	628.071	5.931	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12	409049640	ZJSJRVBFBHZZKP-KUVPTRFSSA-N	591.023	5.144	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)cc(I)c1OCc1ccc(Br)cc1	409078328	HYJUIHCAWLTEIH-OPEKNORGSA-N	626.201	5.019	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409085861	OSCBTVZMLJULKH-VGOFMYFVSA-N	539.844	5.411	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)OCO3	409104576	FWWGYGJYEHLLCN-HSZRJFAPSA-N	501.753	6.173	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc(Cl)cc1	409118904	QQKUXQGKOXLKAG-WCMJOSRZSA-N	606.915	6.651	50	40	KKGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1)Nc1ccc(Cl)c(Cl)c1	409154722	OWSKAFACXNEDRF-IPBVOBEMSA-N	554.217	5.407	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc(Cl)cc1Cl	409189345	JQJMGIZEIOFFDI-MFOYZWKCSA-N	585.269	6.541	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1	409217827	BZTBMKCBEBZRAT-KSMGQTSXSA-N	518.194	6.139	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(Sc3ccc(C)cc3)cc2)ccc1I	409221430	QCPYUCXVJOPUNM-OYKKKHCWSA-N	502.377	5.523	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409235717	DDTKWCIMHCJOAF-PPDIBHTLSA-N	554.641	6.276	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)NCCCc1ccccc1	409245223	PHHSTBSNXKGXRF-MTJSOVHGSA-N	572.272	6.586	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409255191	KTJRXPAJQTWPKI-MBTHVWNTSA-N	524.415	5.246	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409257678	RTRMUZVRZOWVQB-YBFXNURJSA-N	505.958	5.234	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409258590	UVBMMDVLIHJIPW-JAIQZWGSSA-N	582.882	6.681	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)cc1	409260524	RNIOCTRWHXUROP-IEJUQREYSA-N	520.029	5.438	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Br)c2)cc1	409262693	IPYFINMYVNAVQM-PDGQHHTCSA-N	524.802	5.974	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409265574	MVSFUPUSKGTPTN-OAHNOQMOSA-N	538.225	5.527	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409312665	GFMVWIBZZZBZDN-UXHICEINSA-N	636.863	6.174	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)ccc1OCc1ccccc1	409319435	GBQNTJRUNQJJNV-OHUYPAJKSA-N	558.034	6.017	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	409365014	SDIMFASWVHOSMO-MBTHVWNTSA-N	607.286	5.897	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCc1cccc2ccccc12	409366294	TZGBAOUXPJHUPD-LJUMEUDFSA-N	531.450	6.500	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Cl)c(Cl)c1	409373645	YEXYINQZWMXTKM-FXMZOFOKSA-N	624.171	6.404	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409376695	CSSZSUJAKJFGJZ-GZTJUZNOSA-N	509.921	5.147	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409378552	QACJKWPQDKGFRT-IPBVOBEMSA-N	686.159	6.154	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1I	409383867	MOLSYAGGSBEZAN-NTUHNPAUSA-N	604.276	6.949	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1I	409393237	WGWJBIPLRUFQLT-DICXZTSXSA-N	624.260	5.965	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)[nH]c12	409394460	ASAMCVUNVGIPCM-UHFFFAOYSA-N	568.427	6.589	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)[nH]c12	409394465	AUHWOASRYFHKTQ-UHFFFAOYSA-N	661.350	7.660	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409396028	VMRSZKOSHLIZIF-UHFFFAOYSA-N	709.294	7.093	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccco1	409397791	OCLNZGQTQNICTH-UHFFFAOYSA-N	501.901	6.204	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	1529544940	STZAURICNHGGBT-IUXXIWHHSA-N	750.499	6.619	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccccc2)ccc2ccccc12	1529548901	PIIVBOGSTVIKLU-RUWBHFIDSA-N	608.720	5.304	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	1529549020	RXKIMMWZZCCEFB-MUVJNMLISA-N	650.588	5.881	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)cc1	1306469	HQXMTCWFILFIJZ-MUUNZHRXSA-N	524.646	5.792	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1849360	KVDROKJOWGJFSX-QXUDOOCXSA-N	593.757	6.285	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1F)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	2327466	YEOQTKPIKMKJOC-GPXZHFRMSA-N	512.393	6.197	50	40	KKGB	
O=C(c1ccccc1OCc1ccccc1)[C@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1	2564987	YVYLOBHOFGAWEU-NHCUHLMSSA-N	519.189	6.256	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	2670836	FTTIWOFEFXKZGV-OVCLIPMQSA-N	549.266	8.153	50	40	KKGB	
CCOC(=O)C1=C(CP(=O)(c2ccccc2)c2ccccc2)N(C)C(=O)N(C)[C@@H]1c1ccc(Cl)cc1	3339731	KWJDBAHODMFJNW-AREMUKBSSA-N	522.969	5.210	50	40	KKGB	
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1	3765696	WUDAHPBLWKMPNB-IBBHUPRXSA-N	581.451	6.063	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1	8396661	NTJDNNROEFCLEK-OKWPKLMVSA-N	577.758	6.510	50	40	KKGB	
COc1ccc([C@]23C[C@H](c4ccccc4)N(C(=O)c4ccccc4)c4ccccc4N2C(=O)[C@@H]3Cl)cc1	8452024	RVOUGWLYLPOOAR-XHWIWGEHSA-N	509.005	6.337	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1	20059639	ZGJUCPMVNXGOGW-OVVQPSECSA-N	504.439	5.314	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1C	28217236	RFRDAPVODCMDIB-QCFMCPCVSA-N	518.705	6.621	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Br)cc1	30822113	SZNPXDOZMUGPKY-WGARJPEWSA-N	501.764	5.484	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)c2C)c1	58914997	XJZKZMJRUXJKNE-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc(Br)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1	97958041	JSSZVLQEFOLVRA-LTIVYBTPSA-N	718.048	7.406	50	40	KKGB	
Cc1ccccc1C[C@H](C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccccc1	97962950	IKPKNTTZAUGABT-AWLRXGSOSA-N	527.462	6.813	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(NC(=O)c2ccc(Cl)s2)cc1	97965788	KZPRAYNXLNQZAY-DLCNMLRHSA-N	559.478	7.676	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	98006212	LMHHOROAVJBCGF-OAQYLSRUSA-N	584.605	6.062	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccccc1F)c1ccccc12	98008199	KOMKYWIKBVPXJG-MGBGTMOVSA-N	620.482	6.489	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	100062199	MTYLLJLXCUDPPK-RPPGKUMJSA-N	536.651	6.516	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c1	100125368	PXQKXYAWYBKPEA-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc(-c2ccccc2)cc1	100854652	IKFVUAPTPNENRB-RUMWWMSVSA-N	544.124	7.403	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccccc1Cl	101305446	QWOWDMHPEXYKMU-AREMUKBSSA-N	558.103	6.725	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528878	DILMETHKDUGZFT-REOHCLBHSA-N	592.002	7.117	50	40	KKGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	103889742	GJULSKQIQAULFX-JYRVWZFOSA-N	545.160	5.086	50	40	KKGB	
COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N\c1ccc(-c2csc(Cc3ccccc3)n2)c(Cl)c1	104103223	MHVUILRLWFLHPB-OHUYPAJKSA-N	588.988	8.106	50	40	KKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)N=C3CCCC(O)=C32)cc1	104136529	MPXPHXKCRQBLBL-HSZRJFAPSA-N	508.441	6.399	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	112255487	XTRIWOOMKGYUSX-WEIIPEJZSA-N	543.598	5.111	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@@]4(Br)C[C@@H](OC(=O)C[C@@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	118913429	XROACRVMHWKIOK-CMFNDZPASA-N	651.008	9.928	50	40	KKGB	
c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCO3)cc1	138358017	MPAZTSPCGPGQNK-UHFFFAOYSA-N	566.577	6.599	50	40	KKGB	
CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341477	OFHCQHLRUXWWEN-LLVKDONJSA-N	750.262	10.966	50	40	KKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]([C@H]4C[C@H]3[C@@H](I)[C@H]4I)[C@@]1(Cl)C2(Cl)Cl	150381490	LVKHCJHBNOEDKQ-AYPFUOSKSA-N	618.722	6.321	50	40	KKGB	
CCN1c2ccc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc2[C@@H](C)CC1(C)C	223529586	UDCXIVCTPROPHR-XIXVAHAYSA-N	523.269	5.793	50	40	KKGB	
C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@H]2O1	255986752	LYTCVQQGCSNFJU-POUUKNJRSA-N	895.096	5.472	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408541100	BNACMJZGHYDARD-JMIUGGIZSA-N	520.925	5.260	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2I)cc1	408544741	XCGSTBVXLZXORO-OCKHKDLRSA-N	664.237	6.027	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408551351	KIHQFJSDMVDJDM-PXNMLYILSA-N	549.241	7.172	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408553338	OCAGZAPBERTSPE-HYARGMPZSA-N	554.628	6.269	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408553639	OUKVYNCWKVAZKG-IRWBXMRWSA-N	729.871	9.058	50	40	KKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br	408555287	WWHYMOGWRIROMZ-OQLLNIDSSA-N	500.418	5.604	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408599479	VLGZQUXDWBLRIQ-IDUWFGFVSA-N	523.641	8.061	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1c(Cl)cccc1Cl	408603852	HHMSEGXYAGRTGS-INIZCTEOSA-N	500.382	5.077	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1OCc1ccc(Br)cc1	408605000	JLNLQRWIFCUFIA-UVHMKAGCSA-N	530.806	5.087	50	40	KKGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1	408607087	BRQQTFZULLJMPG-VFLNYLIXSA-N	549.252	5.410	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408644097	GVGPNUUNVKDBFP-ZZFPVUGMSA-N	709.621	6.148	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408644953	RZVLMEGLKZUOGG-LJRRSDMTSA-N	553.845	5.791	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)ccc1I	408746923	HULUEWMEBHKREL-KKMKTNMSSA-N	613.221	5.553	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)ccc1I	408747653	RBCXPCRIQFONAZ-LUOAPIJWSA-N	816.997	6.614	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)ccc1I	408747922	VTTRMVTYFKZAPY-LUOAPIJWSA-N	681.095	6.554	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408748390	CWCLMXYUCSTHGP-MZJWZYIUSA-N	626.323	5.459	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccccc1	408751910	DQVOJPACGGYLBY-FMFFXOCNSA-N	516.682	6.658	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cc(C)n(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2C)C(C)C)cc1	408754113	DNWHUTFAZNXCNJ-SVAGMVDISA-N	671.698	6.575	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(Cl)c(Cl)c1	408755462	VASUDNJCFVDWGP-LUOAPIJWSA-N	511.192	6.082	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1	408759300	BSJRJPGSOPNFDH-MFOYZWKCSA-N	532.221	6.889	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(I)c1	408763408	NZEWJHCLTQTODU-WOJGMQOQSA-N	559.201	6.178	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OCC	408772740	FLPPQJKIJYAYAN-ROTLSHHCSA-N	518.273	5.037	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408774744	CVAZGXOIXHNHPS-JMIUGGIZSA-N	621.302	7.738	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408782431	GYWUTCRXNIGBCX-UNOMPAQXSA-N	549.370	8.074	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1	408788649	LXBJBJDRQLHWOA-UDWIEESQSA-N	521.367	5.369	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Br)cc1	408789129	ODFBDHPOHJNSJZ-RQZCQDPDSA-N	623.672	6.840	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408791711	BFKKFONGEZJDER-YDZHTSKRSA-N	636.315	8.054	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(O)cc1	408793135	DFSDSXWSMPBFMU-LICLKQGHSA-N	514.294	5.261	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)c1	408796557	PGCHYUJNTRMAFY-GIJQJNRQSA-N	571.225	6.553	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc2ccccc2c1	408798086	USXZKPHKHODVPB-AFUMVMLFSA-N	541.445	7.352	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCc1ccccc1C#N	408798808	XDIJJQLJUZILND-WGOQTCKBSA-N	521.573	5.597	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)cc1Cl	408822537	BCENEGXRCJWXGT-SRZZPIQSSA-N	607.888	7.406	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408826674	IRQFIULFQJLKDZ-QXUDOOCXSA-N	598.725	5.283	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	408826677	ITWZOJPQTMIHPX-QNGOZBTKSA-N	600.018	6.889	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1	408837959	PWGYSGBAGLPWKP-PEVLYRSMSA-N	600.140	6.856	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408839641	UXLBPVYAWJRTPH-OAQMXIGCSA-N	747.638	9.274	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Cl)c(Cl)c5)c(I)c4)cc3)cs2)cc1	408840412	YOEQDGYXLVMIAV-QNVXDBMFSA-N	713.428	9.116	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408843169	RRTOZGXYBCGHSG-PPFNPFNJSA-N	600.697	5.000	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5Cl)cc4)cc3)cs2)cc1	408846935	RXEQMLCAUBDRKG-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)/C=C/c1ccccc1	408846960	RYKDWLOXFWVZOA-FUAVBRFPSA-N	568.029	6.374	50	40	KKGB	
COc1c(Br)cc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)cc1Br	408852222	DQBORLWJGWCKBX-VPUKRXIYSA-N	615.149	7.487	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1ccc(C)c(C)c1	408870389	VCEPGRCGLPELNZ-ZVHZXABRSA-N	533.466	7.152	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(Cc2ccccc2Br)c(OC)c1	408872562	GLHKSHWLSIIYSS-UDWIEESQSA-N	601.282	6.761	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1	408875579	KFCXDZFVFSKSHK-BVMLUPFRSA-N	619.914	5.720	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OS(=O)(=O)c1ccccc1	408879571	GXNQEOXIQJBMAV-FOWTUZBSSA-N	503.363	5.315	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OCc1ccccc1Cl	408885463	AHWYGMGMFPRICD-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1	408887400	NWCYNFJOEUOZQE-LDADJPATSA-N	505.324	5.221	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccccc1Cl	408887427	OHQUSTLQHPPHAW-LDADJPATSA-N	544.776	6.078	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1cccc2ccccc12	408904845	PLLDVTYYGVJMIR-MNDYBZJGSA-N	597.307	7.416	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(C)cc1	408912262	QDHGWMXTWHVRFP-FMFFXOCNSA-N	620.487	5.964	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1	408922175	DSBLSODYEGPEQM-CAPFRKAQSA-N	512.543	5.160	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c(OC)c1	408948337	CSSWXOHDRUDKSA-ZKHCCSIISA-N	644.128	5.380	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OCC)c2)c(OC)c1	408950366	GZTXIIBYVYKOKF-CJPARAFHSA-N	821.463	5.760	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(Cl)cc1	408966316	ZOIQKHWBGQWYLS-KPGMTVGESA-N	516.947	6.829	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408970859	LHKQSUIJFFFMKB-WPZQDUKASA-N	669.831	7.437	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(C(=O)O)cc1	408985317	WMEVLAGVWYPEBP-RGVLZGJSSA-N	569.839	6.633	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408995712	MYALYDYXRIMKDI-KVSWJAHQSA-N	601.122	6.799	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OC(=O)c1ccc(Br)cc1	408996911	KJWYMTCPJRAPGE-OCSSWDANSA-N	576.403	5.676	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408999320	QYFIOBSNIQZTNQ-KZYYCBDDSA-N	682.628	6.036	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	409012461	IEDZOCYLHPFVIE-BQBBODNFSA-N	592.523	6.581	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCC(=O)Nc1ccccc1	409013462	NKAAAHWPFABMCN-XODNFHPESA-N	648.251	5.590	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1F	409029075	VMFBWESXYNLCED-VGSHQSRASA-N	548.640	5.330	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OC	409040823	USIRJSRWFCOIGD-MZJWZYIUSA-N	584.439	5.939	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1ccc(Br)cc1	409055425	IPBWBXBBHFNMLA-OVHUDYNESA-N	597.291	5.918	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)c1nc2ccccc2o1	409075435	VNSLRTNAOSAPSP-XNTDXEJSSA-N	560.223	6.185	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081779	QEXRITDHTFLVSJ-OVCLIPMQSA-N	576.871	6.912	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409092547	VJSYWKBGDNGSKT-LICLKQGHSA-N	637.352	7.263	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)cc2)cc1	409140149	DZWCURZCZHYCSF-KCSSXMTESA-N	582.509	6.470	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccccc1Cl	409142035	KWMMXNWRGFXONW-QHCPKHFHSA-N	527.802	6.004	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cccc(Cl)c1	409151678	CVGNCZVSIMPYCY-PNQUVVCRSA-N	689.721	5.756	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1	409164687	MBURZFWTXCOWHS-VFLNYLIXSA-N	608.276	5.261	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1	409166703	FKCSHQWUWQYYFK-VTNSRFBWSA-N	625.520	5.360	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409185317	WXNOCDXLWFJZEK-KEIPNQJHSA-N	609.535	6.290	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409186411	BTEBEAAPPPGCLZ-FZPRHHONSA-N	567.469	7.608	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)NC1CCCC1	409193314	JDRQHALHYRGZLC-SXGWCWSVSA-N	643.219	5.349	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409219348	LKLCMNDWNOOMLE-YBFXNURJSA-N	524.404	6.264	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1	409226171	PJVBEFNTWGYWPA-LDADJPATSA-N	568.811	5.452	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409245457	TYXBKJHIAHNJDN-HYARGMPZSA-N	586.857	6.188	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409258782	VXVZBILDHUHBGW-WQRHYEAKSA-N	554.828	5.983	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C	409265528	VJFAVTPBXBASGM-SAEPALGJSA-N	654.192	8.004	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)=C(C#N)[C@H]1c1cccc(Br)c1	409331010	CBLNAPPKQVLJJY-RTBURBONSA-N	647.267	5.340	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409387672	PHFAFJOGUYMTOK-UYRXBGFRSA-N	535.984	5.319	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)cc1OCC	409394628	CYIOJCOOQPHSDI-UHFFFAOYSA-N	769.874	8.802	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(OC)cc3)[nH]c12	409394869	GWZNEOCAJFDJCZ-UHFFFAOYSA-N	709.822	8.567	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccco1	409394893	HDJFBRXDJLPPHU-UHFFFAOYSA-N	659.693	7.729	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccccc1Cl	409395739	REEYZJANENPVFC-UHFFFAOYSA-N	730.638	8.759	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(C)=O	409395758	RJIYATQTYBFZTG-UHFFFAOYSA-N	694.460	7.533	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)cc(OC)c1OC	409395767	RMNDGQCPQVOJHJ-UHFFFAOYSA-N	634.088	7.650	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395813	RZQMGCPIMYCJDE-UHFFFAOYSA-N	652.288	7.796	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409397609	LVBWTYUGETYPGT-UHFFFAOYSA-N	582.454	6.979	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cn1	409400417	CXHZGOSNEKKOCS-QMRORBIVSA-N	630.057	7.178	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OC(C)=O	409405107	SCSHCHXAACTMQZ-CNCDYAKUSA-N	673.358	6.879	50	40	KKGB	
COC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409406367	WJGWFFVPXFEIDV-MNDYBZJGSA-N	535.984	5.235	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc([N+](=O)[O-])cc1	1531386446	YJUYWMAZQHHINB-FZKWRIDDSA-N	594.624	6.526	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)OCc2ccccc2)c1C	2448186	LGDOFMAWJODYNU-QNGOZBTKSA-N	529.643	6.690	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccc(-c2ccccc2)cc1	2696265	BRXNIYQSOWOAIY-FDAWAROLSA-N	569.484	6.058	50	40	KKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2I)cc1	2766274	CWASAAGINBAUOX-CVKSISIWSA-N	506.347	5.216	50	40	KKGB	
CCOC(=O)C1=C(CP(=O)(c2ccccc2)c2ccccc2)N(C)C(=O)N(C)[C@H]1c1ccc(Cl)cc1	3339729	KWJDBAHODMFJNW-SANMLTNESA-N	522.969	5.210	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1	8722102	AFQAEWVZNXZPRH-QNKGDIEWSA-N	515.569	6.300	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1	9679249	UQKGSQYOONOHFG-CVKSISIWSA-N	500.093	6.068	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2ccc(C)cc2)cc1	20059504	YGDFWULCMCUKAF-UQRQXUALSA-N	527.646	5.553	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	20232240	XFQBHKHIFZJWGM-TURZUDJPSA-N	525.696	5.241	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccccc1Cl	97961011	YEUBEZUOXVVXJV-KCSSXMTESA-N	626.878	5.918	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1	100123004	AYXPFWMVEPXKHL-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F	100310138	USBKAJNMNWTZPI-GZTJUZNOSA-N	546.465	6.118	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)Cc2ccccc2)cc1	100350162	VFYQHNXAKIBDAI-MZFJOGFUSA-N	558.704	5.061	50	40	KKGB	
Cc1cc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)n(-c2ccccc2)n1	100833378	BDBRMWRAOIDPAF-XANMOXBJSA-N	540.048	5.899	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3c(Cl)cc(Cl)cc3[C@@H]2[C@H]1Cl	102975232	CSMRJTCQLDHWLF-GXPUJQSHSA-N	523.844	8.079	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882934	PHWXCALQNKISKH-STZFKDTASA-N	571.302	6.591	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	103889205	ZSYDCXLYXPSMIF-HKWRFOASSA-N	563.466	8.006	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1F	103890798	ZKLVWOQFMMITCZ-UNOMPAQXSA-N	560.250	7.748	50	40	KKGB	
C/C(=N/NC(=O)CCSCCC(=O)N/N=C(/C)c1ccc2ccccc2c1O)c1ccc2ccccc2c1O	104383987	XQXQXNVCKADLIY-CDSIFPFTSA-N	542.661	5.298	50	40	KKGB	
Cc1ccc([C@@]2(C(F)(F)F)NC(=O)N(c3ccccc3)/C(=C(\C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)S2)cc1	109112778	COYBCJHHDGOMHJ-IOTBMVGNSA-N	617.657	5.983	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	150643272	VLBCUAIZBIPKAP-YPXUMCKCSA-N	726.092	6.462	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl	408533960	UEZVCQPPFXMPCK-IPPBACCNSA-N	577.850	5.793	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccccc1Cl	408544831	XTVBIVDYXLJWJA-GRSHGNNSSA-N	555.812	6.324	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c(C#N)c1C	408547372	VSGOUQYOVHTZQG-FYJGNVAPSA-N	586.511	6.898	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408551536	DSGHHDLEOXJNGM-DHDCSXOGSA-N	579.665	6.972	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(C)cc1	408566953	BVWZSFWRPKXWGN-OKCVXOCRSA-N	648.588	6.585	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC	408580042	MSHTWQRFZQPNNY-MHWRWJLKSA-N	510.169	6.081	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)c1ccc(Br)cc1	408581250	VKJSLAAWFIALMX-LFIBNONCSA-N	553.659	6.697	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408602389	DHKPLMHDAVLQAY-SFHVURJKSA-N	514.409	5.467	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408655840	RWSJBKQGGAKVEO-VZJUQIMDSA-N	731.781	6.059	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408655843	RWSJBKQGGAKVEO-ZTTYKKJNSA-N	731.781	6.059	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)c1	408710585	MEEGGEOWXOSXKP-UVHMKAGCSA-N	580.806	5.313	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408725706	MYGOITHPPFVZGH-DJKKODMXSA-N	593.248	6.409	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408729466	FLXMWFLOSDYJNH-YDZHTSKRSA-N	619.346	8.806	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(I)cc1	408744255	DPROKQIZHGALNU-YVLHZVERSA-N	623.672	6.840	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1	408745511	NCGHONOEZCOWAY-ODLFYWEKSA-N	552.381	5.889	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408745933	BAJUCLYLDXGRBC-MNBJERMJSA-N	641.303	6.019	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746390	SLIOMZZALPVSST-YVLHZVERSA-N	532.740	6.208	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408755486	QIABWXXIYZVEGL-VULFUBBASA-N	551.846	5.341	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Br)c1	408757627	AYNWXGXEYKDABY-APSNUPSMSA-N	656.087	7.080	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Br	408759382	DDLZWMZMVYHEHR-LQKURTRISA-N	503.481	6.231	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)c(C)c1	408767630	NCJGSTMUTUBVGZ-MWLSYYOVSA-N	503.690	7.724	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(I)c1OCc1ccccc1	408772094	KYYVHTCZCPHOLI-KQWNVCNZSA-N	595.481	6.661	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1	408777461	ZXALEBQQDLTBQU-OKCVXOCRSA-N	558.409	6.056	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc2ccccc2c1	408789823	RUVRTBZZSCMFGE-AFUMVMLFSA-N	541.445	7.352	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I	408791080	SVUBWCWMDJSISG-OVCLIPMQSA-N	525.184	5.615	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(I)cc1	408795514	LXJRGVSBGRREQL-XDHOZWIPSA-N	588.829	6.477	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2F)c(I)c1	408795764	WDGILTCNPFCNOG-CAOOACKPSA-N	672.663	7.121	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1ccccc1F	408811186	MGWHZLHUVURWMP-MFOYZWKCSA-N	542.304	5.284	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OC	408825388	IGOYJYMFQZJYFC-VCHYOVAHSA-N	623.274	7.130	50	40	KKGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(Br)c1	408827075	FTZGJVQCPQYMBW-JYRVWZFOSA-N	562.207	5.149	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(C)cc1	408837182	ZRVPUFLVXBHGPN-YZSQISJMSA-N	539.031	7.361	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408839417	RUYUAVZSAGEUKW-MHDJOFBISA-N	641.305	7.000	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc(OC)c1OC	408841658	GIRWBFMIRYRSPF-UHFFFAOYSA-N	618.893	5.670	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	408841757	KWDYULTXUIXCBZ-RVDKCFQWSA-N	686.323	7.841	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc2ccccc2c1	408843385	MBLVFAXCKSSXOZ-ODQASSKESA-N	625.072	7.993	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408843945	UPALXQOFLPESFO-FDALDRLYSA-N	643.087	6.655	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408845647	YPIBXTAWARLXQF-KBVAKVRCSA-N	613.479	5.826	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl	408850305	KYOKXDKLIWAHJA-FTCYSYDXSA-N	688.143	7.848	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc2ccccc12	408851033	UTABHUXEFQUNGE-ZMGVVAQMSA-N	669.313	7.695	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408853337	NUISTYAPDYDKJK-GIJQJNRQSA-N	582.119	8.560	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408858071	JBVHWGLNSRARNU-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccccc1Cl	408859200	MWZFRAUVXZNXGC-MHDJOFBISA-N	630.391	8.400	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccccc2Cl)cc1	408860568	YRZHDEXOSFWCKG-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408861080	MGMXBJIKFILUAV-ALQBTCKLSA-N	671.013	6.734	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2ccc(C)c(Cl)c2)cc1	408861448	AOPVYYUFIMVSBI-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1)c1cc(Br)ccc1O	408876673	NAOLDJCHIGMHDZ-MSXFZWOLSA-N	504.178	5.260	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OCc1ccccc1Cl	408880094	HCMVUPNNTJAZMJ-OCSSWDANSA-N	508.405	6.526	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1ccccc1F	408881384	JCAPSPVCQKEGHX-SRZZPIQSSA-N	616.427	5.649	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408882162	NSDQAMFTVGADND-XDHOZWIPSA-N	520.925	5.210	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408883825	RDOWECJDOYWUSU-VXLYETTFSA-N	560.275	7.452	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1	408892005	XCIBSGYGBTXUQZ-SFQUDFHCSA-N	515.360	5.210	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1OC(=O)c1cccc2ccccc12	408894077	ISRZCEIXRYSSGC-HMMYKYKNSA-N	574.374	6.218	50	40	KKGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OC	408894347	HQRSBQVSHVZQQX-XCVCLJGOSA-N	501.120	5.227	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408894451	ICSYCRKTJJAJRB-LGJNPRDNSA-N	527.813	5.577	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408897741	SUQYIXVDNSQHAR-GZTJUZNOSA-N	608.841	5.575	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	408899448	PISPONBWJLIVOG-GZTJUZNOSA-N	528.348	6.043	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1	408900647	XFLKZADWEDKTCG-SFQUDFHCSA-N	603.210	5.827	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)c(OC)c1	408923086	JBDRXPLBZUSJLE-RZNGARSMSA-N	771.534	5.185	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1	408942464	FZSLLAUETKCRSS-WJOKGBTCSA-N	813.512	6.671	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1	408947064	NOUDHQFTVGQCSX-MUUNZHRXSA-N	702.027	5.575	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969966	XXEALFYHVNVZBA-NXANOMBNSA-N	613.336	5.225	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2OCc2c(F)cccc2Cl)s1	408971732	PSOSUKLDLPUGPE-IPPBACCNSA-N	538.004	5.163	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1cccc(C)c1	408976681	BSONZJHUVNEJFN-NHPPUKNOSA-N	585.726	5.841	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3cccc(C)c3)cc2)c2ccccc2)cc1	408980038	PPNYJZUSDSEHHH-GQCRFCPSSA-N	541.673	5.442	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1Cl	408980979	UPRCXAJJNXCVDQ-NIVXUIPCSA-N	582.097	5.878	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(I)cc1	408985692	XSFIJDYLANMLSD-GRSHGNNSSA-N	607.275	7.430	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409018013	HAWYNUHEQQUACD-OOEWDAAOSA-N	757.431	8.866	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cc(Cl)ccc1Cl	409024748	GVFFDDWATMUPAB-UVHMKAGCSA-N	540.856	5.142	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4)c3C)cc2)S(C)(=O)=O)cc1	409028706	QQEUXJQLHKWHOK-NDZAJKAJSA-N	514.651	5.133	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1	409030742	FDJWLECMDNUBAN-OYAQHNAHSA-N	569.661	5.371	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409035271	PIEAAMPALJIYMR-DLCNMLRHSA-N	560.868	8.205	50	40	KKGB	
N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409037538	SSJBKXWVNDDJND-ALQBTCKLSA-N	561.439	6.879	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1ccncc1	409040309	HQGZWMJNCUFNCD-WBJUKZOJSA-N	548.602	5.201	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1	409048412	SWHKKFISNXTWCX-QGMBQPNBSA-N	595.118	7.321	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	409064016	FTLFJEUGXXRFKZ-RVDMUPIBSA-N	552.233	6.069	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccccc1Cl	409074081	RTXWWVNBSFFMAA-FYJGNVAPSA-N	526.942	7.221	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)c(C)c1	409087471	YUUWRXVZAXYOJM-LZYBPNLTSA-N	616.222	6.983	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccc(Cl)cc1	409123144	FCNMBRLIBGHSEN-HPNXWYHWSA-N	628.150	6.817	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C2=C1CC(C)(C)CC2=O	409136082	WTJWQQRJLWQVKJ-RUZDIDTESA-N	526.464	5.955	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Br)cc1	409146768	UPPBQOVMOYOMGV-KKMKTNMSSA-N	623.241	5.524	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1cc(C)cc(C)c1	409155974	JPIOBOBOULRVOM-AMVVHIIESA-N	557.434	5.115	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc2ccccc2c1	409186872	IXUHFKLQEBBPND-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccccc1Cl	409216152	FTHHRASIZBYBCM-ODLFYWEKSA-N	513.775	7.053	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	409226320	UXWGAKDKCGQVGE-OQLLNIDSSA-N	516.768	5.916	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	409228034	ZIXOMZCHNOPSCL-WOJGMQOQSA-N	645.837	5.303	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C	409251621	ARXDGSKMLDIITE-ODLFYWEKSA-N	504.930	5.428	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2C)ccc1OCc1ccccc1	409263892	JIWLWTTUZJZROA-AEUUOICLSA-N	695.408	7.279	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409265740	OJRXIQPKBBAOQU-MUXKCCDJSA-N	571.415	5.006	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409266847	LJVRNIAEBCWKOW-GRSHGNNSSA-N	615.855	6.133	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409270396	FIDIEDTTWCTEHO-UNOMPAQXSA-N	568.855	6.373	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OCC	409313338	ODNFCHIUFNHGLZ-ZMGVVAQMSA-N	632.939	6.388	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)=C(C#N)[C@H]1c1cccc(Br)c1	409330995	CBLNAPPKQVLJJY-MOPGFXCFSA-N	647.267	5.340	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1	409331496	FXLVLUHQRMWBKO-MNBJERMJSA-N	500.982	6.271	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1OC	409335870	PRBJCSKYUPGGKT-MBTHVWNTSA-N	541.398	5.288	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)ccc1OC	409335875	PTWXCRZPEWPIGC-ULPWCQAASA-N	542.246	7.050	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Br)cc1	409362124	RZCATHAGVMJAQX-KKMKTNMSSA-N	576.241	5.682	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1[N+](=O)[O-]	409372576	MUJBOJIQUZVEBI-ZRGSRPPYSA-N	600.278	5.005	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2OC)cc1	409378866	SSOUDEDOQVRZLS-NDENLUEZSA-N	519.985	5.537	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409383826	JVNCVWRJAWTVFT-CAOOACKPSA-N	578.340	8.610	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4cccc(C)c4)c(I)c3)[nH]c2c1	409392438	PLCURBFIULEFSA-NVMNQCDNSA-N	647.254	6.732	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)[nH]c12	409395256	LPVJMLYBBBACOH-UHFFFAOYSA-N	774.691	9.076	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409395300	MBDIJCKUWPHNFA-UHFFFAOYSA-N	625.281	8.026	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395315	MEQFKVJTKHXCKE-UHFFFAOYSA-N	807.801	8.949	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397165	HAIUWAHPOQLMHF-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397705	NBANNMNNDDRDOK-UHFFFAOYSA-N	683.424	7.450	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398335	SOVRDWAPQIZSJR-UHFFFAOYSA-N	652.932	8.396	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(OCC)c1	1529547632	MNQGZELOJIHUBG-RBQZPKEMSA-N	652.773	5.703	50	40	KKGB	
N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	2197609	FXJJXILXMCTDIE-FMIVXFBMSA-N	547.203	6.557	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1Br	2240466	OWTPUQJTNAOKEG-LGJNPRDNSA-N	527.831	5.044	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)cc2)sc2c1CC[C@H](C)C2	6167111	UCCBOHMWGYLALJ-JPPWEXRLSA-N	623.728	5.245	50	40	KKGB	
O=C(O)c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21	6445680	OTHQNINSJWIIPA-VLDBVROHSA-N	525.970	6.240	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1nn(Cc2ccc(Cl)cc2)cc1Br	8780780	WOCCYYZUONYQEV-IPPBACCNSA-N	517.814	6.418	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1cccc(O)c1	9019323	LYUPUHILAIBHND-TWKHWXDSSA-N	513.667	5.878	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2c(Cl)cccc2Cl)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12	9280149	KKRKWBUFJPVDCO-AUSIDOKSSA-N	504.377	5.056	50	40	KKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccccc3O)c2-c2ccccc2)cc1	32125475	SMJYAKHPCOCCKB-HWIUFGAZSA-N	515.569	6.067	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2nc(-c3ccc(Cl)cc3)cs2)C1	97945305	SUEICVCBNJAYRV-OXJNMPFZSA-N	521.397	5.379	50	40	KKGB	
CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1	97946400	RPMFAECIBKMOSZ-XTCLZLMSSA-N	534.660	7.443	50	40	KKGB	
COc1ccc(-c2nn(Cc3ccccc3Cl)cc2/C=N/NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1OC	97965860	WQAKCOVHFDVUQV-ODNPBWNPSA-N	664.228	5.745	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)c1	100100276	ADTKMEHPUYEXFW-VTNSRFBWSA-N	560.561	7.671	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCN(c3ccc(F)cc3)CC1)[C@@H]2Br	100867946	PFEVRJZRRMNYTD-XPGWFJOJSA-N	567.135	5.160	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2[N+](=O)[O-])=C(C#N)[C@H]1c1ccccc1Cl	102808284	RCNWXVJOKMGAGI-RUZDIDTESA-N	575.046	6.016	50	40	KKGB	
CCOc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccc(Br)cc2)c([N+](=O)[O-])c1	102935591	KHDSTAOEWCXNPN-UHFFFAOYSA-N	521.351	6.565	50	40	KKGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)c4ccccc4)c3)cc2)c1	103042196	UXVVKQKEJILSMV-UHFFFAOYSA-N	606.144	6.251	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(F)c1	103883459	JEESAGIVMXXMLS-HMAPJEAMSA-N	550.428	5.432	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1OCC	103896344	LLBDYTLXYHHMBF-TWKHWXDSSA-N	583.732	5.116	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)c1ccccc1	103900222	SMXWHMBVRLFSFR-OPTGPXFYSA-N	537.685	6.140	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(Cl)cc1Cl	104401952	QHNXXJAETLUSRM-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709385	ILCXMPDIFARKOH-CMXUDJMYSA-N	541.717	6.612	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc(Br)c1OCc1ccc(Cl)cc1Cl	109992707	YXLUZLZUMFXTAW-VVEOGCPPSA-N	574.258	6.966	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)C[C@@H](C)I)CC[C@]4(C)[C@H]3CC[C@@]21C	118913435	RPNZXKGKNPDEGJ-ZDEQRXPKSA-N	582.651	9.153	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	118914440	IDKDEJKAOLGAAX-HNTJEXFPSA-N	604.619	6.173	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2cc(Cl)ccc2OC)cc1OC	150474367	IVRFONCGBQTZTF-ATZGPIRCSA-N	645.565	5.772	50	40	KKGB	
O=C(N[C@H](Cc1ccc(N[P@](=O)(Oc2ccccc2)N(CCCl)CCCl)cc1)C(=O)OCc1ccccc1)OCc1ccccc1	150488519	GZYPHXQVUHOCPK-CZBPJUCMSA-N	684.557	7.646	50	40	KKGB	
O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2oc(-c3ccc(Cl)cc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1	229799683	WEQTYSBUYLZKDQ-LMSSTIIKSA-N	629.120	6.400	50	40	KKGB	biogenic
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408538224	KIRLKSCOCFUUAA-RGEXLXHISA-N	519.867	7.396	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2OC)ccc1OCc1ccccc1	408538476	NLRRZMBBNOAUJY-VHFSBPNMSA-N	628.150	7.711	50	40	KKGB	
COc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccccc1	408539523	WYIKSZFHRONPIZ-KDHRXPGNSA-N	640.765	8.484	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539631	IXTXSSZJZUPECZ-MTDXEUNCSA-N	548.639	7.106	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)c3ccc(Br)cc3)cc2OC)ccc1OCc1ccccc1	408540014	LSUFPKSJXNLHHU-AFUMVMLFSA-N	590.901	8.342	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408540620	AKQGPSULIVYVBA-NVMNQCDNSA-N	533.205	7.106	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc2ccccc2c1	408548627	JYYNHVUPCNBMKS-JJFYIABZSA-N	553.681	8.661	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)cc1Cl	408608795	PSMPIGDRXNIAJZ-GOSISDBHSA-N	514.409	5.386	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)NNC(=O)c1ccc(Br)cc1	408661738	CFVDHENTLPCTMH-UHFFFAOYSA-N	588.842	5.008	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccccc1Cl	408677990	WSJNUIFWWQPDAL-MUFRIFMGSA-N	589.861	5.896	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc2-c2cccc3ccccc23)cc1	408724208	HVBQZASANFHTAI-GOJREDGKSA-N	536.635	7.344	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408744293	DUMJEJKRMFKCHM-XKZIYDEJSA-N	503.385	7.280	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408746573	FIPUSSHJYHFVET-CHHVJCJISA-N	571.085	8.187	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747586	PWUUZJDXSVKXKX-KYHGBAKBSA-N	567.842	6.207	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OCc1ccccc1	408749564	QQCRINJFDJIZSA-VULFUBBASA-N	626.232	5.637	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408756832	USAGISQFFXTWGQ-MYYYXRDXSA-N	551.444	6.853	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1cccc(C)c1	408762506	BTJXFNVBSZLNPF-GRSHGNNSSA-N	511.803	6.544	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1ccc(Br)cc1	408766519	VCXVMYVOXPNQLF-SSZFMOIBSA-N	526.184	5.976	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1Cl	408774332	CBTKNJMQSIZVTP-KQWNVCNZSA-N	536.459	6.227	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408780998	PNAHKGDVLUBZBF-MWBNBJEGSA-N	630.044	6.232	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408781571	UMPFCEZSCNHYRL-NDENLUEZSA-N	556.375	6.126	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408792671	BIPIMUIARFIGOX-VIZOYTHASA-N	753.987	8.090	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792994	CNZWEHRMGYDUFB-KOEQRZSOSA-N	505.530	6.298	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Cl)c2)cc1	408798601	VYOIBFRVZHUUSQ-MFKUBSTISA-N	510.977	6.795	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	408822397	BFDOEIBFTNPTLJ-JVWAILMASA-N	702.432	10.012	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3C)o2)cc1	408823018	CBIUSOJRPYBTEB-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)S(C)(=O)=O)cc1C	408829835	MGEHBQWLNUSNFW-HNSNBQBZSA-N	576.118	6.266	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408834868	XEIILZNGMRVFFG-VFCFBJKWSA-N	545.038	8.197	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408835056	WSFMUARTMSGQHE-OVVQPSECSA-N	579.483	8.850	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	408838775	IFUKJWWYDXYLRP-FABQOPTDSA-N	646.494	6.019	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)c1	408839013	LPUKXJOGQURDNB-ATZGPIRCSA-N	613.051	7.007	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1	408841441	KEWLJSHDEYMLHZ-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)c2C)cc1	408841486	KTRYRRAWRJKGAK-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4c5ccccc5cc5ccccc45)cc3)sc2c1	408842322	JALCITIARNGORJ-FABQOPTDSA-N	548.067	8.186	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(Cl)cc1	408847800	RWUUNUYNYATHGT-MNDYBZJGSA-N	553.840	6.929	50	40	KKGB	
COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc(OC)c1OC	408848978	XNQJQKIMLBLILC-UHFFFAOYSA-N	554.024	5.216	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408852738	VYDLLFDOHLRSPV-GXBUFBABSA-N	609.480	7.466	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1)c1ccccc1	408861879	FADFROIGLLKMQG-ODIUUIGESA-N	535.669	5.896	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccccc2)cc1	408862320	FFFDSZCFGWRRQC-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(Cl)cc2C)cc1	408864097	SSASIACDVQZVPO-QLQYKETESA-N	612.151	7.035	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408868268	PEWGPDFMMGOLLZ-PTEHHBOZSA-N	746.294	7.996	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1Cc1ccccc1Cl	408871290	WTOZEBYQFBHYLP-RQZCQDPDSA-N	573.774	5.998	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408874848	BLWKIMOLOABSNB-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(I)c1OCc1ccccc1Cl	408890336	RONWWRSCEQMRCM-XODNFHPESA-N	643.703	6.457	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408891632	UEBCLHPDWALKTD-XDHOZWIPSA-N	525.388	6.474	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccccc1F	408893041	DVIRESNGCYKVFJ-MWBNBJEGSA-N	613.568	7.559	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(C(=O)O)cc1	408898093	KNQMDYZSLNXTBY-XSFVSMFZSA-N	541.357	6.065	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1ccc(Br)cc1	408948604	CYQBUNLXADGFTQ-MQJLOYBKSA-N	626.510	6.569	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc(Cl)cc1Cl	408954256	YWWDVOYXVILDBT-MHZLTWQESA-N	879.342	6.667	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)c(F)c1	408964726	DINKXUHNCUQBAI-KKMKTNMSSA-N	578.179	5.407	50	40	KKGB	
CC(C)Oc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408972029	OKELBNBKRIEYNY-KIDNWZEHSA-N	542.463	5.426	50	40	KKGB	
COc1cccc(OCCOc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OC)c1	408974322	XUSJLHSUKJAAQH-DEDYPNTBSA-N	537.410	5.778	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccccc1Cl	409012421	HYMZBUCLSQZCRI-FJVQAERNSA-N	709.070	7.998	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1	409026448	PIBHEAKNTUJHLS-RDRPBHBLSA-N	532.493	6.027	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)Cc2c(Cl)cccc2Cl)cc1	409057956	XCNKNRXOYFLWLB-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)c1nc2ccccc2[nH]1	409068744	HTOCHVREUMRMEY-XNTDXEJSSA-N	559.239	5.920	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409079674	LRYPVKLOPQHTNH-WKIKZPBSSA-N	584.241	6.731	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1	409080341	NEEPMCIJRXCGMI-OVCLIPMQSA-N	625.195	7.785	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	409122758	BLUATIAWLBCXFQ-OAQYLSRUSA-N	667.197	5.307	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c2)cc1	409223326	GXSNBTAGIYQBBF-UHFFFAOYSA-N	685.756	7.109	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	409271953	WQRXDMIOGHQZTL-WQRHYEAKSA-N	535.354	5.229	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1OC	409301833	GTXUOBASJFIHHM-NUJZUDFISA-N	619.310	5.709	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409309926	OBPSATBOMYSEBE-MOPGFXCFSA-N	525.841	5.717	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409315167	IMIGGAQFKUPEJF-LEWJYISDSA-N	613.317	5.264	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1OC	409317412	PSTIBFZAWQOXMH-FDVSRXAVSA-N	500.954	5.628	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1O	409370893	CZFWQTBKQADIPL-CCVNUDIWSA-N	554.238	6.413	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1	409386121	OKTBLRWNHLGGBD-WKULSOCRSA-N	560.429	7.068	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(I)cc1	409387160	UHNBJMLURQCPGT-MSXFZWOLSA-N	544.374	5.586	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccccc4F)c(OC)c3)[nH]c2c1	409391199	HTOGUUUYXJRTRF-MFOYZWKCSA-N	508.347	6.125	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1cccc(F)c1	409391487	IGFFKUHXGNDELO-IDUWFGFVSA-N	599.156	6.817	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)[nH]c2c1	409391799	LJZKDAADRKYJER-PXNMLYILSA-N	584.224	6.648	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394687	DQOOEQOQODSUEB-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(O[C@@H](C)C(=O)O)c(Br)c3)o2)cc1	409400233	CDOMZRKMXRHVNV-UEGXWDRTSA-N	580.435	5.644	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccn3-c3ccc4ccccc4c3)o2)cc1	409409903	RUSIICYOYDCDNL-ZXSNDDASSA-N	528.612	6.974	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1OCC	409410530	XXFAHWSVJHXKGJ-UHFFFAOYSA-N	578.581	5.871	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1	935019	OOOZITRURIPGGG-WTALZMIHSA-N	512.418	5.638	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CSc2cc(Br)ccc2C)c(OCC)c1	1791486	XMLKYUDYHRYAMB-LICLKQGHSA-N	504.402	5.324	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)NC2=C1C(=O)CCC2	2309802	ZUCCMMXDSTXLAI-RUZDIDTESA-N	508.043	5.848	50	40	KKGB	
O=C(c1ccccc1OCc1ccccc1)[C@H](Br)[C@H](Br)c1ccc(Cl)c(Cl)c1	2559225	LSRGURPJYDJEJE-NHCUHLMSSA-N	543.082	7.655	50	40	KKGB	
Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c1Cc1c(C)cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C	4015963	OHXXXMUZDDXCOC-BCRBLDSWSA-N	684.881	8.030	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc(Br)c1OCc1ccccc1	6166626	VZLHWYFSKMYISA-VWJSQJICSA-N	603.498	5.625	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12	12377302	MKAMZYOTYUAOTO-HHHXNRCGSA-N	500.480	5.616	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	20026002	ISEMLSMTBOUGAK-XMMPIXPASA-N	510.059	6.060	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@@H]1c1cccs1	20028766	OLJUFCAWFYCWSI-JOCHJYFZSA-N	500.045	5.507	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	20348657	QIPFDCRDXFIKJH-MUUNZHRXSA-N	526.637	6.149	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OC(C)C)c(OC)c1	33911906	WRQYTIPSBUXESM-UNOMPAQXSA-N	525.026	6.587	50	40	KKGB	
Cc1sc(NC(=O)c2ccccc2)c(SSc2c(NC(=O)c3ccccc3)sc(C)c2C)c1C	59200313	WGFPOIAXTVRQIB-UHFFFAOYSA-N	524.758	8.347	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	97958724	XRNAFOLOXDWDKN-VHCRCXKPSA-N	548.382	5.903	50	40	KKGB	
Cc1cc(Br)c(OCC(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)c(Br)c1	98001400	GYMFLGQZVKLIGX-RREIPUBJSA-N	678.795	6.042	50	40	KKGB	
C/C(=N\NC(=O)COc1c(Br)cc(Br)c(Cl)c1Br)c1ccc(F)cc1	100027722	ADLARKYNYADFCR-GZIVZEMBSA-N	557.439	5.686	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126333	KGFGRLOTZYNJBR-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	100326074	JFIIYERYSXHEAT-KBKYJPHKSA-N	553.196	6.016	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1	100405763	AOAYZLJKFURVKI-XODNFHPESA-N	574.806	5.467	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(Cl)cc1	100458394	SSVIAEHKOBDBSL-OPEKNORGSA-N	551.622	5.587	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3c4ccccc4cc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852141	CLJWMWKORUVWBI-GKVNEZTPSA-N	583.761	8.089	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCc3cc4c(cc3Cl)OCO4)NC3=C2C(=O)CC(C)(C)C3)cc1	101096962	NULALUJHXRMCAQ-DEOSSOPVSA-N	509.027	6.076	50	40	KKGB	
N#CC1=C(N)Oc2cc3cc4c(cc3cc2[C@H]1c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O4	101668928	KCGLYFBVBICPCX-VSGBNLITSA-N	537.406	6.583	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1	102488577	PRFRMGGPQMGJBM-DEOSSOPVSA-N	507.999	6.018	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc(Br)c1O	102623574	FCBPMBXNJCOGDC-JYRVWZFOSA-N	528.409	6.258	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccccc2Cl)NC(C)=C1C(=O)Nc1ccccc1	102719311	ASXLDKQMJTYDAQ-NDEPHWFRSA-N	559.091	6.445	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	102932814	UBSYEZBPNJKBNW-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cccs1	103857769	MRHVIXPINUPQMR-SSDVNMTOSA-N	588.208	5.300	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc2ccccc2c1	103884300	IVZPKEWBMFNETO-USHMODERSA-N	596.525	6.836	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccc(C)cc1	103899576	IVAFJAZPPLQVCG-FMFFXOCNSA-N	572.731	5.764	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc(C)cc1)=N/NC(=O)c1cc(Br)ccc1O	104316791	WBDRSZNAFFEVLA-MCJNZCSVSA-N	588.466	5.981	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(Cl)cc1	104401986	UNBNBINJJGTZGJ-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	150385631	YRCKUOCQZRJONA-AABVJFSESA-N	623.484	6.765	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Br)[C@H](Br)c2ccc([C@@H](Br)[C@H](Br)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	226323349	KYMFIPAQSHDSRX-YSFYHYPLSA-N	781.990	8.464	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408533892	TYAYUYTYXIIDDW-IPPBACCNSA-N	530.850	5.951	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)ccc1OCc1ccccc1	408537168	CIWSJACABBZOEX-FMCGGJTJSA-N	604.446	7.614	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc2ccccc2c1	408549723	XRCTYCOIFIORFP-FMCGGJTJSA-N	613.236	7.692	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552873	LIFJQWHCSVPXBX-VWDPFFEDSA-N	619.221	6.565	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408579021	CIYRIIUVNONKDU-MHWRWJLKSA-N	519.273	7.241	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccccc1	408579348	GAQDFWIIANCDPR-XDHOZWIPSA-N	603.254	6.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1	408598958	LZTYQMGZSXXLJD-XDHOZWIPSA-N	506.425	6.960	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408614638	FUPBLHJKJFUBJA-CCVNUDIWSA-N	500.382	5.232	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408673850	XVAITYVBAROLTR-GYFISPQKSA-N	638.740	5.033	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1	408676928	ANRJGYWZRJFSMA-YYWQKNRZSA-N	614.707	5.177	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408683464	LHUOWORENTXIAF-GFBDQPOWSA-N	646.119	5.237	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408725057	IQLZSZQFEYMUBO-ZDLGFXPLSA-N	623.274	7.130	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408726965	XBLYBAXZJHGOCC-CIAFOILYSA-N	536.382	5.558	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1	408728573	OXHRGXIACMCYCJ-FDAWAROLSA-N	536.028	5.947	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)cc(I)c2O)cc1Cl	408735717	WVJWCYOIUXJRMF-NYYWCZLTSA-N	564.548	5.109	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1	408741369	ILAAUGOGXBZHNA-WQRHYEAKSA-N	559.201	6.178	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OC)c(I)c2)c1	408746832	WIIMZRNYSWVLOB-QPEQYQDCSA-N	527.156	5.007	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)ccc1I	408746943	IGOKFTKCDGMVLD-FJEPWZHXSA-N	645.291	6.567	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747169	JWUFGQLZQAYPNQ-FDAWAROLSA-N	594.303	6.177	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(C)cc1	408759069	XHOPCGIDJIDLFQ-GRSHGNNSSA-N	603.254	6.495	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(I)c1OCc1ccc(Br)cc1	408801423	ARAIPYJEVDHHAJ-JHAUMMSCSA-N	609.302	6.243	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408808264	FKDOVTOYFNRICW-DBFSUHOCSA-N	517.796	7.135	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(Cl)cc1Cl	408816567	WKHYPDFQIZLIFO-ODLFYWEKSA-N	560.250	7.748	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408831867	VWGVFDRHGJSCGV-JEPNHJGPSA-N	664.622	6.562	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840498	YZGUKMQILWZKIB-PTEHHBOZSA-N	731.297	9.728	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1	408844950	DOOBPASTGFTENM-OJYCWLPVSA-N	554.477	8.102	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1cc2cc(Br)ccc2o1	408849274	YWWSANBEUHXCTC-DANHRZQXSA-N	587.084	8.152	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408849466	YYSKSKWHXVYHIG-MHDJOFBISA-N	666.937	7.544	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1	408858345	YKLHOKALPZWDOK-WBIBEUCMSA-N	661.369	8.460	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3Cl)c(OC)c2)cc1	408870534	GEMXSKLTMQSCMN-WOJGMQOQSA-N	511.803	6.256	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408882820	RCDMAFXYBPOMIM-WOJGMQOQSA-N	575.868	6.041	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1I	408885788	ASQVNSRYWCJAGI-IZZDOVSWSA-N	613.020	6.147	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1OCc1cccc2ccccc12	408887799	QYODDHYCEKSHNO-LQKURTRISA-N	536.369	5.796	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)c3cccc4ccccc34)cc2OC)cc1	408887975	VSPMUNAFMHLAGZ-MUFRIFMGSA-N	533.378	5.603	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1Br	408897595	YSMXHRXJHVIIAN-NLRVBDNBSA-N	583.482	7.551	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1cccc2ccccc12	408904006	CFEIUCPSQKKBEZ-LQNQUEJISA-N	509.518	6.236	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905388	YHDCFLOWFMHTAN-ROTLSHHCSA-N	586.298	5.197	50	40	KKGB	
Cc1ccc(Sc2oc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2Br)cc1	408913066	KLYYMIHGLFHUNF-JYRVWZFOSA-N	508.224	7.354	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1C	408925656	SOUGETAXXFHQFI-VXLYETTFSA-N	558.803	6.386	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)c(OC)c1	408953715	MMJVXOYDLYTISI-HVJLQFNCSA-N	774.419	5.218	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408954046	REFBAYKZXAIEAI-MTJSOVHGSA-N	673.292	6.222	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)c(OC)c1	408957235	SXSFXNQZIBCFCX-AIXDMBCASA-N	731.600	5.919	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1C#N	408970156	BTGANWXFLBMRIS-MJGIPYSOSA-N	615.517	6.089	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1Br	408970948	FCYUMDIYGMABLC-FOKLQQMPSA-N	508.166	5.295	50	40	KKGB	
CCCOc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408972551	VCXDWQVRTIKTMD-RSWNLNBFSA-N	572.489	5.436	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1	409008941	ANLIARCBRQYNND-UHFFFAOYSA-N	515.013	5.837	50	40	KKGB	
C=CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)cc1	409011987	IIGNFQWLEABCIG-CCVNUDIWSA-N	618.269	6.536	50	40	KKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(Br)cc1Br	409013767	VGKUXKKHFVCWKU-WGARJPEWSA-N	534.248	6.073	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)Cc2ccc(Br)cc2)cc1	409019270	YNCSTDJSPHEULR-BIZUNTBRSA-N	606.542	5.678	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1	409070600	CNPDMDANDRRGET-NTEUORMPSA-N	593.684	6.573	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409117633	LSFSLBDTBXNCHR-WKULSOCRSA-N	654.313	6.204	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc2ccccc2c1	409137621	XIDDYFLOFJNSBR-WJOKGBTCSA-N	551.687	6.200	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409144268	OKERTYYUWNMISG-QXUDOOCXSA-N	635.142	5.410	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(F)cc2)cc1	409184841	IGMVJSVDIADDPK-KCSSXMTESA-N	566.054	5.712	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)cc2c1	409187206	NKLPNLVPHUMTMP-FADJLKOXSA-N	570.605	7.628	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409188101	ALAAHNMOKAQMRC-FZPRHHONSA-N	567.469	7.608	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1	409217421	UNJNORKMSXZYMP-ORBVJSQLSA-N	548.706	7.775	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	409220074	UBASHHUJYNTSHW-ZZOWMUITSA-N	561.641	5.735	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1F	409220482	ALTJYFYKAPSKAW-FPJJECCMSA-N	523.402	6.350	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OCC	409223661	JDTQXQXISCEQAB-UHFFFAOYSA-N	675.492	6.390	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccccc4)c(OCC)c3)c2)cc1OCC	409225336	MXNSIGJEAMMGTI-WCYBEAKJSA-N	621.690	6.518	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409238070	BWFYKAKARJPFEF-YQUKCCFRSA-N	555.472	7.364	50	40	KKGB	
NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409266447	YUPRQUUMPDIQDH-XKJRVUDJSA-N	540.432	5.489	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409267597	OKGYGIHMBPUAPK-XKZIYDEJSA-N	562.464	6.336	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409309928	OBPSATBOMYSEBE-RBUKOAKNSA-N	525.841	5.717	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409324859	VWIZGPFDAVBYQF-NTFVMDSBSA-N	549.432	5.489	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OCC	409332015	FPOUGOLZDIRISK-AQLQTECXSA-N	578.880	6.534	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1c(F)cccc1Cl	409367707	IWCKXMDZDFCLEM-PPDIBHTLSA-N	573.271	5.236	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409371375	ICVIQACYGSXBKR-MFOYZWKCSA-N	530.293	5.990	50	40	KKGB	
O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2Br)c1	409387373	WBZFBXIIRXQKGP-RPPGKUMJSA-N	554.378	5.613	50	40	KKGB	
COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)o1	409392116	LEXWAISKTRKRCM-PPDIBHTLSA-N	520.339	5.342	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Br)cc4Br)c([N+](=O)[O-])c3)o2)cc1	409404856	RCPUSHOWOKGABB-HTVDVWKISA-N	756.835	8.696	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	1529545720	AZHSGFLPUODWJC-MMGYZVBGSA-N	671.603	5.856	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	1529547641	NHZRDFQESSDFHX-FKZKYSLJSA-N	706.446	6.220	50	40	KKGB	
CCOc1ccc(C2=C(/C=N/NC(=O)c3ccc([N+](=O)[O-])o3)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1	1831297	AWYOQFKCQRKCSA-JNKLXYNLSA-N	527.508	6.077	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12	2353763	CURVNEUWNQEDJM-IPPBACCNSA-N	521.433	5.965	50	40	KKGB	
COc1ccc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)cc1Br	3025031	ASQVEOVIQPKIGF-QPSGOUHRSA-N	599.899	5.274	50	40	KKGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1	3089539	RKWRWRLZRJIFTA-IHQYTQDJSA-N	574.456	5.651	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@H]2c1ccc(Br)cc1	3666912	BDRMRCKWCBDYIH-HSZRJFAPSA-N	533.495	6.202	50	40	KKGB	
COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)[C@H]2[C@@H](CCCN2C(=O)C[S@@](=O)c2ccc(C)cc2)[C@@H](Cl)C3)cc1	8665695	FUFMXEHZPUASGK-NDLGGUGJSA-N	611.185	5.446	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)N1	8740821	UKLCYXLWXJBQRQ-XMMPIXPASA-N	507.974	6.023	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1	11852126	HIIPWKKXWLEPJG-GDNBJRDFSA-N	514.821	7.500	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1	14158118	STMSXQNZELMHSF-DFKUXCBWSA-N	515.610	5.371	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12	72138047	SEZSRPYCOMAEDL-UHFFFAOYSA-N	654.686	8.939	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	97939455	CVUKNHANWHLKHH-LGJNPRDNSA-N	533.441	5.908	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccccc1Cl	97958612	MBBZFMMRHVDUNG-WKIKZPBSSA-N	516.841	6.137	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	98043575	QWASHHXJHRUNBC-QHCPKHFHSA-N	548.879	6.444	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	98048500	RRDSTZKQZBPRRM-NDEPHWFRSA-N	540.689	6.528	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1	100042731	WGKXZIJIRMFKNU-UTOCKENXSA-N	618.325	6.887	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1	100062749	KLJBGRHDWPNBLE-ZMFRSBBQSA-N	536.651	6.137	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1	100136555	VXRGOBQQPGDGAY-BIZUNTBRSA-N	542.060	6.300	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1	100232803	FCXXAHWUSKFTCG-MTJSOVHGSA-N	539.857	7.243	50	40	KKGB	
CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528320	ZANMBCLWKBTGQM-GFCCVEGCSA-N	514.254	8.179	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C)cc1	103890811	JBKINTDHAYTNBU-BKUYFWCQSA-N	556.287	7.918	50	40	KKGB	
C=C/C(OC)=C(\C=C/CCN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21)OCC	105017439	RPVKRXFRIFEZTQ-YGSQROSVSA-N	531.653	5.257	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)ccc1OCc1cccc(Cl)c1	105586621	OLZUERNGNQCOQN-HNSNBQBZSA-N	545.104	7.515	50	40	KKGB	
Cc1cc(Br)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)c(OC(=O)c3ccc(Br)cc3)c2)c(Br)c1	150352439	ZLFOKMVHBUCSHV-PTEHHBOZSA-N	824.114	8.013	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	150353444	ZBODFLBFDYNZFO-UZWMFBFFSA-N	634.736	5.640	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)SC1=S)NNC(=O)c1ccc(Cl)cc1	150453306	QBBAVPCWHHETEJ-OCEACIFDSA-N	795.818	5.269	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)N/N=C/C=C\c1ccc([N+](=O)[O-])o1	200558670	JTUXTPWYZXWOIB-VRRVKXBNSA-N	630.445	5.580	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551325	KDGOHPARJNZMQN-LICLKQGHSA-N	544.822	6.609	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1cccc(C)c1	408569821	QFUBEVGBFKHKFM-LQKURTRISA-N	508.665	5.590	50	40	KKGB	
CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	408636601	AXJSGITYBAHKLU-OFNKIYASSA-N	534.436	5.464	50	40	KKGB	
O=C(Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408686016	QYASYLFDRYMFPE-CRNSPECLSA-N	504.380	5.655	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408722278	GGJAHKDOHZCYNF-KKMKTNMSSA-N	570.214	5.735	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408724684	AZFHJKIQGNICOU-LUOAPIJWSA-N	710.093	6.383	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1	408742153	NLAGNKBIJWAMOI-BKUYFWCQSA-N	562.261	7.489	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2c(c1)OCO2	408779187	RZRPKWAKSNCOMK-UCQKPKSFSA-N	590.474	5.411	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2I)cc1	408788167	BPCNPABVNNUDOU-MFKUBSTISA-N	679.352	8.066	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408788638	DZUOTIPEABCRMR-CIAFOILYSA-N	582.394	5.821	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408793962	GUUCPGMGRIDNJK-GZTJUZNOSA-N	640.646	6.674	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(I)cc1	408794794	JFTDCAGTZZHSNJ-HYARGMPZSA-N	552.412	6.431	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1cccc2ccccc12	408797674	SLGAPONZWQERKB-YDZHTSKRSA-N	622.890	7.930	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OCc3ccc(Br)cc3)cc2)cc1	408823148	CYLONVZYITVFIB-PCLIKHOPSA-N	632.352	8.224	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1)S(=O)(=O)c1ccccc1	408829142	OIQJCMGPHXEQEQ-ALQBTCKLSA-N	666.594	6.008	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408838805	IQYQXDVRFSCCBE-FLWUYHLRSA-N	669.115	7.497	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(C)cc2)c1	408839800	CJWRCZDQJXHXKQ-OKCVXOCRSA-N	572.470	5.916	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccccc1Cl	408844897	FPRSOQFSEWFOMT-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
COc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408847737	UGUPUMKPRXGDHG-KVSWJAHQSA-N	714.754	7.189	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Cl)cc1Cl	408847883	WNRCRDUFZAVJAF-RAWMCFOBSA-N	505.199	6.674	50	40	KKGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)c1	408850234	IYXWEPUXXDSXCK-ROTLSHHCSA-N	518.253	6.392	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCC#N)c(Br)c2)cc1	408854055	WPDLCDPISGYUAS-YKQZZPSBSA-N	513.395	5.882	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(I)cc1)c1cc2ccccc2o1	408855699	GRLZODOVENDLRS-ZMFRSBBQSA-N	575.200	6.143	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)c(OC)c1	408866671	HUCOIRVDLGKLTC-SSDVNMTOSA-N	551.437	5.586	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3Cl)c(OC)c2)cc1	408866753	ISLHFMJRXKWTCE-UDWIEESQSA-N	509.389	6.315	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OCc1cccc2ccccc12	408867145	JADYWIXBTWLIFY-WGOQTCKBSA-N	522.601	6.058	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1	408881537	LQGOWPVCYKQYGK-SFQUDFHCSA-N	530.389	5.265	50	40	KKGB	
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408882649	RNVOBQOJMYMIIR-MWAVMZGNSA-N	538.647	8.160	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Br	408888072	WJVQUDZXEKLYLH-ONNFQVAWSA-N	515.545	5.327	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)c1cccc(Br)c1	408889259	BVMITVMUTQLBRD-WYMPLXKRSA-N	617.113	5.506	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OCc1ccc(Cl)cc1	408893317	DVGZELRIJBTVQA-CXUHLZMHSA-N	613.666	7.385	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1cccc2ccccc12	408895116	MAUDYINGNVGLNM-HYARGMPZSA-N	606.314	7.807	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408904439	JLNZBGHDFQNOMG-ULPWCQAASA-N	585.713	7.851	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408914826	WHLQZSKBZMJQQA-XODNFHPESA-N	507.801	6.154	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(OC)c1	408921620	BBAXUYZXVITWLH-FAUQODKRSA-N	706.377	5.674	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1	408947068	NOUDHQFTVGQCSX-NDEPHWFRSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)c(OC)c1	408952419	KGMDAKNRPNDIMO-QDVQKENVSA-N	691.568	6.454	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NCCc1c[nH]c2ccccc12	408952500	NZNWSDLWJJUQBO-JCMHNJIXSA-N	500.396	5.775	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1	408955927	VGUFFEUTIORQRF-XKZIYDEJSA-N	578.894	6.827	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c(OC)c1	408957975	WSQCFJYLPVODBE-BUMGRRTCSA-N	701.574	5.910	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccccc1Cl	408973059	YDUIXUPIQVEWOJ-CVPZCSNHSA-N	675.053	7.802	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1cccc2ccccc12	408982351	DJFHOHWCHXJZAR-XKZIYDEJSA-N	608.863	7.540	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1	408984885	UBZURMRELSXTBY-MFOYZWKCSA-N	642.118	7.794	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409001287	HNSVJVPJBCUZLG-GJIJCKQHSA-N	746.400	5.742	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409010042	BBDURKWDMANMKS-KNBZMSCYSA-N	745.137	6.492	50	40	KKGB	
C#CCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCOc1ccc(Cl)cc1Cl	409014592	NDKRMKQLWSWWCN-IOQCEILHSA-N	552.458	5.042	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)Cc2ccccc2Cl)cc1	409065175	DVKKNOYMQWFINQ-IPPBACCNSA-N	523.964	5.008	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409077914	BHCVSCWGDPFZRX-LDADJPATSA-N	518.457	5.717	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409078832	JNTLWMNVGCZNPD-LICLKQGHSA-N	614.352	6.153	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)cc1	409161881	BQOMSAXDFFEYTG-KPGMTVGESA-N	623.504	5.054	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1	409217917	FTBQGMJETBMSSL-UHFFFAOYSA-N	545.517	6.249	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1	409224665	LRSPGOSGZYXNLL-DNBSRKPQSA-N	568.029	6.292	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409225128	OQOPCYGTCATBEF-UHFFFAOYSA-N	655.332	7.390	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-]	409227479	YVCWGVDBBVPNMF-RAWMCFOBSA-N	522.728	5.547	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(I)c1O)C(=O)Nc1cccc(C(F)(F)F)c1	409231384	CSEQACSKTAFVCG-ONNFQVAWSA-N	537.073	5.324	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccccc1C#N	409250763	SBNNMQFVKMLLTP-MYYYXRDXSA-N	544.449	5.954	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	409250824	MZJZNJSBSAIPDG-YVLHZVERSA-N	603.698	6.737	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409261095	BBUCUYRSJLHLBD-VCHYOVAHSA-N	584.854	6.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409265728	OGPXVCJHSVWGRZ-GZTJUZNOSA-N	589.273	6.718	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)ccc1OC	409313477	PZVQFTBNWRYXLD-MNDYBZJGSA-N	651.885	5.532	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	409337905	ZEFPQNIAAWPOMM-DVAMMYLFSA-N	600.485	5.727	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409362385	JGLDKIARIXUFLY-ODLFYWEKSA-N	546.202	6.705	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409367741	KDLUJBXZGYAQJF-ODLFYWEKSA-N	550.223	7.640	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OCc1cccc2ccccc12	409369016	XOUDNLQITJSYBO-CFRMEGHHSA-N	542.376	6.968	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2OC)cc1	409388600	VJKKRJUYWLFRPS-GZTJUZNOSA-N	509.921	5.059	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cccc(F)c1	409390060	DLWBPIGNGAVULM-IUXPMGMMSA-N	524.160	7.380	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409394683	DPFXYSNLJSTPSA-UHFFFAOYSA-N	788.820	7.864	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)cc1	409396426	YHIZDDKMQHCZOE-UHFFFAOYSA-N	733.766	9.324	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409396525	YUILPOKRVJPWDM-UHFFFAOYSA-N	696.739	7.905	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(Br)cc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409406861	DIYGVJHUHZFJQG-LCYCTPALSA-N	642.934	6.776	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(OC)c1	1529547873	QMWZQOYCSWMHNX-DMFIQNIRSA-N	793.478	5.526	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(Br)c1	1529548224	ZETRXESXSJDRBF-DMFIQNIRSA-N	686.028	5.875	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	1529548505	HTXBICPEBLFWMA-NPBPKHCLSA-N	677.610	6.611	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1	935023	OLDABUQTMXZXCX-AEPTXUNZSA-N	512.418	5.638	50	40	KKGB	
C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1O	2097262	HDNZUOQCYDTACH-GSCKTCQSSA-N	557.079	6.023	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)ccc1O	2308178	GALDCIVYWSYYRK-UXHLAJHPSA-N	529.666	5.579	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1	2335570	ZUOXTRHTZZJBSL-UTDQILSNSA-N	512.393	6.197	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/C(Br)=C/c3ccccc3)cc2)cc1	6146170	AZCUMIYRMTVHGH-YGCGRPBFSA-N	528.428	5.038	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@H](c3ccc(Br)cc3)Nc3c(Cl)cccc3[C@@H]2[C@@H]1Cl	8426167	OZTZHIRBISRRRP-XZCYHHARSA-N	550.305	8.049	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2ccc(C(C)C)cc2)cc1	20059129	OWWGGTVDSIJIII-BIZUNTBRSA-N	525.674	5.716	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(OCC)cc1	20102726	APCAYBQHWBWAQW-SANMLTNESA-N	503.624	5.191	50	40	KKGB	
Cc1cccc(C(=O)N[C@H](Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)C(Cl)(Cl)Cl)c1	27025573	NEAMJQKJDXLBEE-JSPCPOQUSA-N	504.801	5.264	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2OCc2ccccc2)C2CCCCC2)cc1	33925268	MRLVJYDAJRYKEO-COEJQBHMSA-N	519.667	5.048	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	59332977	JAJYACPCFSIEDX-STZFKDTASA-N	510.396	5.967	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1	59921476	HYDIWUBCOXNYSK-ZCTHSVRISA-N	500.982	5.314	50	40	KKGB	
CC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)c1	95747836	TWAPRSLBSJNESG-UHFFFAOYSA-N	594.512	5.171	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)cc1	97940087	CPUDPHYKUQMCDR-MUUNZHRXSA-N	566.683	5.875	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(F)cc1	97960484	KWBYLSOMHHWQKP-OQTVDIKGSA-N	595.583	5.094	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl	97966028	LYAFMZPOFDPDBF-KNBZMSCYSA-N	595.277	6.025	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Br)c2)c1Br	98001250	DWYSREDXRGNYSA-PNQUVVCRSA-N	712.189	7.062	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)c2C)c1	100122331	DQRVDOSXMVNHAM-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	100124907	OUSAAMFKCXEYHO-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2c(OC)ccc3ccccc23)cc1	101469612	ICBKJEQJPCCUAA-LVBJXMSMSA-N	555.078	6.269	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1	102933483	XDURLTNWOJQALR-LICLKQGHSA-N	587.224	6.253	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C)cc1	103884057	AMUIGCYVGDZGLM-UQQQWYQISA-N	560.492	5.991	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	103890257	YORFCFUJTHLTGP-UYRXBGFRSA-N	592.395	7.555	50	40	KKGB	
C/C(=N/NC(=O)CCSCCC(=O)N/N=C(\C)c1ccc2ccccc2c1O)c1ccc2ccccc2c1O	104383980	XQXQXNVCKADLIY-QXLZFTBOSA-N	542.661	5.298	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc(OCc2ccc(Br)cc2)cc1	105415761	WVSYYNVUULPBFV-RDRPBHBLSA-N	565.445	5.560	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795427	HRLWKNGPMQMMNK-HZPDHXFCSA-N	714.248	10.450	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2OCC)ccc1OCc1ccccc1	408540072	MQNMPDICNNVMQS-YSMPRRRNSA-N	617.529	8.494	50	40	KKGB	
Cc1cc(Br)c(NC(=O)COc2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1C	408544773	XPQJOOQPEIPHFD-FYJGNVAPSA-N	529.438	6.641	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1Cl	408581876	ZNQZPUJZXISFCN-YBFXNURJSA-N	503.223	7.798	50	40	KKGB	
O=C(NNc1ccccc1OCc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408610436	UHONFWAQMOXEBT-INIZCTEOSA-N	549.252	5.831	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O	408638385	CJVTVLOQUVXNTB-OEDAEHMWSA-N	592.306	5.938	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12	408710861	QGICFZZGAUVUOB-UVHMKAGCSA-N	588.243	5.829	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1	408728061	HPGYVYPZNGYLTF-KKMKTNMSSA-N	531.790	5.112	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1)S(=O)(=O)c1ccccc1	408728688	RKLUPMMKYHWZLF-FMFFXOCNSA-N	560.119	6.931	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(OC)c2)c1	408744747	HBBQYWQMKUSIKN-MOSHPQCFSA-N	554.384	5.823	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408747174	KAURATKMUWLPKH-KYHGBAKBSA-N	523.391	6.098	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Br)c1	408762342	OGADVRYNANLSRW-MFOYZWKCSA-N	556.210	6.065	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408763687	UGSZYEQHEWEJAM-CPNJWEJPSA-N	548.386	7.042	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2ccc(C)cc2)cc1	408784708	WOEZZKXUPVGZMV-AJBULDERSA-N	573.696	5.282	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1	408784750	SKKQNYUORYLZRW-AQTBWJFISA-N	518.482	5.638	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1cccc2ccccc12	408788360	JQTHKJLBHAQQHB-BUVRLJJBSA-N	541.445	7.434	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccc(F)cc1	408790851	RMDWKXFCLWPGPZ-XDHOZWIPSA-N	572.374	5.962	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408791891	DXASGHUPXPVVOF-VCHYOVAHSA-N	607.231	6.509	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cccc(C)c1	408796405	OXYWZSFMLOVBEX-UDWIEESQSA-N	507.384	5.987	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408797672	SYJCLXCTRGENSY-LFVJCYFKSA-N	584.426	7.061	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408798289	VWHWHVOLJDMLGB-CXUHLZMHSA-N	515.227	7.849	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Br)c1OCc1ccc(Br)cc1	408802630	ZPIYHDABJPEENZ-IAUZIZESSA-N	562.302	6.401	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Br)cn34)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408821199	DOQKWQUJZGWYIK-ZMGVVAQMSA-N	634.556	5.770	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408825878	JWVFYQMQTPRNSW-YDZHTSKRSA-N	693.348	7.832	50	40	KKGB	
C[C@H](NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1	408835817	YLQOVWUBIBZFKY-WJPBOPHCSA-N	647.968	5.958	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Br)cc4)cc3)cc2)c1	408836254	ZSRYOSXORBHVKS-NLRVBDNBSA-N	553.456	7.461	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408837883	AKILTOLZPHLTJB-PTEHHBOZSA-N	746.264	8.969	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccccc3/C=N/NC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)sc2c1	408838268	DAEVWJWYUQRPTI-ATZGPIRCSA-N	613.051	7.007	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	408840142	BKIFOIVGMFAXBD-RVDKCFQWSA-N	780.323	7.526	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)c1C	408846712	YTISITHEPDCFBX-XAZZYMPDSA-N	525.600	6.623	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OC	408853294	NCPKHJIYUHNINR-YKQZZPSBSA-N	579.438	6.229	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1cc2ccccc2o1	408854931	BHUSILSKVZDWLR-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(I)c1	408855833	FSXINEKNAUVIOZ-LSHDLFTRSA-N	561.626	6.215	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2ccccc2o1	408856290	JVDZBCFLCHHXCO-MNDYBZJGSA-N	533.809	7.345	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(C)cc1	408857862	PHIBPRMZDFENCW-GKVNEZTPSA-N	622.563	8.265	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408862047	HUKSWCAJPYAXLT-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Cc1ccccc1Br	408869725	QQNYLJMRGVKSCD-YBFXNURJSA-N	587.255	6.507	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1	408870524	SVIOXDPIGPCOCM-HWLOXFRGSA-N	635.742	6.442	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1Cc1ccccc1Br	408872417	MXYCMWAUXQXYDQ-LICLKQGHSA-N	605.124	7.119	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408886300	JUOBGVDTXKENHQ-MHWRWJLKSA-N	516.178	6.521	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408891408	QEXACWXLONZIRR-RWPZCVJISA-N	534.366	5.862	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(I)cc1	408898533	WOMRACXMJJWVPF-CXUHLZMHSA-N	672.542	7.594	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccccc1Cl	408905559	ZGKMGSXKUWEEIK-QDTIIGTASA-N	619.799	6.341	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2Br)c1	408921276	ADCZQVCGEKCWDN-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408949153	QOCKATMNZYDYBN-YTTGMZPUSA-N	711.668	6.585	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OCc1ccc(Cl)cc1Cl	408953648	MGKOTHHLIGKXBD-WLCOTJRJSA-N	711.599	6.038	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(OCC)c1	408954455	ZILDPQDJCQCMSA-UUWRZZSWSA-N	652.773	5.703	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	408963753	OZQNJLOTXOQWSN-PNQUVVCRSA-N	536.735	6.336	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCCOCCOc3ccccc3C)c(Cl)c2)c1	408970828	KVCNPBJMYXZEDO-PXLXIMEGSA-N	525.432	6.630	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408982609	IHEIVMWQDFUKEB-GRSHGNNSSA-N	515.824	7.479	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccc(Cl)cc5)cc4s3)c([N+](=O)[O-])c2)n1	408988085	CMHZNCVMZYPVQC-UDWIEESQSA-N	615.096	7.322	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)Oc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	409006846	QXTAYRYCMKLXCC-HVTXSOGHSA-N	604.402	6.504	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccccc1Cl	409038628	PRKCSXTXUMXUBL-APTWKGOFSA-N	522.004	6.907	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409054904	HEIGXINGDXXYIH-LZYBPNLTSA-N	509.286	7.276	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OS(=O)(=O)c1ccccc1	409073633	WPYHTYBOIXDMGB-SFQUDFHCSA-N	592.386	5.142	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	409123321	GENQVFXHHZIKSF-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4c(C)cccc4C)c3C)cc2)cc1	409148092	OMSOQDWPZGKVDE-ZCTHSVRISA-N	528.678	5.608	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409150381	BORGZPFUAYJZLW-FJEPWZHXSA-N	557.434	5.061	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4F)c(I)c3)cc2c1	409188524	ZXFARAXLUZNSLT-DBFSUHOCSA-N	684.243	6.523	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409217989	GOGYZZJIZUHFJP-AJVHQVQUSA-N	543.963	5.577	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cccc(C(F)(F)F)c2)cc1	409219714	PJDKWJCQJAHXBK-CPDSRJINSA-N	517.891	5.690	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c2)c1	409226202	PQTQCMSLDGOACL-UHFFFAOYSA-N	685.756	7.109	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1ccccc1	409238453	ADNPLKIECGVBNP-WWAUWJAYSA-N	511.419	6.966	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409250919	NLLOMGAFEAQQDI-RGVLZGJSSA-N	536.382	6.064	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409260518	RKRYLCVVKCYSKP-CIAFOILYSA-N	595.437	5.788	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OC	409315142	ILEIJKPCINHJTD-ULPWCQAASA-N	631.148	7.269	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OC	409315754	OOWAQGVZEVTMKU-UHBFCERESA-N	604.416	5.745	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1OCC	409321494	GTIUVEWEARHJEH-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1OCC	409321830	VDVBZJVXZHVVKP-LJUMEUDFSA-N	573.459	6.517	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)cc1	409395224	LEWHCGKUADGALH-UHFFFAOYSA-N	711.794	8.014	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396510	USWBFIHSLAXOMQ-UHFFFAOYSA-N	660.554	8.321	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409397703	NARGGLBDTCRCOT-UHFFFAOYSA-N	602.474	7.450	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409397813	OHXSVXBAAZSJIA-UHFFFAOYSA-N	640.843	8.253	50	40	KKGB	
CCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	409409068	MMDVIQVSYQZOEG-YKQZZPSBSA-N	514.651	6.814	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	1529547393	KTTNLBPCAWWASQ-XINRNAFCSA-N	842.348	6.280	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12	1529548326	CQHVPTHPLAOWJX-MEJSVWBHSA-N	631.758	5.728	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(I)cc1	1529548771	NQVTVVIIXCDXPG-LGKFVODTSA-N	724.621	5.484	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC[C@@H](C)[C@@H]2CC[C@H]3[C@H]4[C@H](CC[C@]23C)[C@@]2(C)CC[C@H](O)C[C@@H]2C[C@H]4O)ccc1O	2033664791	ACWUUWIBURCOOJ-ZMQJTZGSSA-N	540.745	5.258	50	40	KKGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3cc(Br)ccc3F)s2)cc1	1742081	GBAASTTUWRESAH-LSFURLLWSA-N	511.467	5.283	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)n2-c2ccc(C)cc2)cc1	1820208	SDGZVBOLUGTMAH-UZWMFBFFSA-N	533.657	6.586	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	2670866	CCOMWCPWALCUPD-NTEUORMPSA-N	549.266	8.153	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(Br)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])s1	2744277	WSSDRPHPZQWYDX-PBEVGHANSA-N	586.497	5.243	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1	3991861	DOBQIXCYBDYCOM-NCELDCMTSA-N	644.731	5.376	50	40	KKGB	
CCCCCOc1ccc(/C(C)=N/NC(=O)CSc2c([N+](=O)[O-])nc(C)n2Cc2ccccc2)cc1	6149689	IWSQPCYTQNRDFO-TURZUDJPSA-N	509.632	5.350	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccccc3)cc2)sc2c1CC[C@@H](C)C2	6167172	IYUOWNWRYDTHNV-XWXPSTGCSA-N	533.650	5.220	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c(O)c1	9008275	WCCBHMPFRVWDOM-MSXFZWOLSA-N	522.121	5.278	50	40	KKGB	
C=CCCCCCCCC/C=N\NC(=O)CCSCCC(=O)N/N=C/CCCCCCCCC=C	17316282	ANDDBZHQWUWNMW-UEUMJKGWSA-N	506.801	7.317	50	40	KKGB	
C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58916851	SEJFFRJOEYLORI-VHENUOIUSA-N	520.073	7.079	50	40	KKGB	
Cc1cc(C)n([C@H](CCl)CN(Cc2nnc(-c3ccccc3)o2)Cc2nnc(-c3ccccc3)o2)n1	69699869	ZSXZTVUHZFAWAM-JOCHJYFZSA-N	503.994	5.082	50	40	KKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CCl)COC(=O)CCCCCCCCCCCCCCC	72400279	JAFPMKBIHWSDIR-OZKTZCCCSA-N	613.408	12.199	50	40	KKGB	in-vitro
N#CN1C[C@H](CI)[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1	95707818	WQEMREJSEOLXRY-BQBZGAKWSA-N	568.115	5.579	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1OC1CCCC1	97965712	JUYMAABTGOFOLQ-XDJHFCHBSA-N	538.651	5.210	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(F)c2)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	98003589	RMNFFWGTLGOWOY-HHHXNRCGSA-N	576.491	6.847	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100330264	KTXDXPSKQLNXID-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc2ccccc2c1	100853298	FEXXMWQIWYUDKH-AJBULDERSA-N	526.065	6.682	50	40	KKGB	
CCCCCCNC(=O)N(CCCCCC)C(=O)Cc1ccc(NC(=O)C[C@@H](Cl)CSCCCl)cc1	100931235	NBTAHRAKWJRUIH-HSZRJFAPSA-N	560.632	6.836	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	102436712	ORZAHRVPYHKTRE-DXRBVMPTSA-N	616.916	5.768	50	40	KKGB	
CC1(C)[C@]2(C(=O)N3CCc4ccccc4C3)CC[C@@]1(C(Br)Br)[C@@H]2Br	102725580	DILNGCNUERXJDL-ZOCIIQOWSA-N	520.103	5.257	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	102808525	DAGJNZINZYAKEN-DEOSSOPVSA-N	567.440	5.888	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C\c1ccc(F)cc1	103994867	OGTIBPYTYVFTQL-OLDOVDFUSA-N	629.520	6.723	50	40	KKGB	
O=C(CCCC(=O)NNC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)NNC(=O)Nc1ccc(/N=N\c2ccccc2)cc1	104081976	MDZWYGQIQIDIIM-IRBDSUPESA-N	606.647	6.693	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	109127741	AIMFWQRKQNQXNZ-RUMWWMSVSA-N	561.063	5.328	50	40	KKGB	
CC(C)[C@@]1(Cl)[C@@H]2C[C@H]3[C@](CC[C@H]4[C@](C)(C(=O)Cl)CCC[C@@]34C)(C1(Cl)Cl)[C@](Cl)(C(=O)Cl)[C@]2(Cl)C(=O)Cl	150382875	XBKUMJWVPGNMBM-BSNLDSJKSA-N	648.109	8.288	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	150383020	ZWNHXLAQFFNWEL-GJMWJJQISA-N	637.526	7.066	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)c1cc(-c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)nc2ccc(Br)cc12	150397619	SBHKIKZONLPRAK-CEZSNWQSSA-N	689.965	7.376	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1cc(I)cc(I)c1O	150405318	HSNOTFWGYZMRPL-LUOAPIJWSA-N	761.181	5.249	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@@H]1P(=O)(c1ccccc1)c1ccccc1)[C@@H]1ON=C(c3ccccc3)[C@@H]21	169811306	PCPWWUPRFBJKIV-MOUXFGLMSA-N	613.634	6.821	50	40	KKGB	
COCOc1c(OC)c(C)cc2c1[C@@H]1[C@@H]3Cc4c(O)c(C)c5c(c4[C@H](CO[Si](C)(C)C(C)(C)C)N3[C@@H](C#N)[C@H](C2)N1C)OCO5	195853345	YGNVHJMSBZNMAV-VEBUABNOSA-N	637.850	5.522	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(Br)c2)c2ccc(C)cc2)cc1Br	211029316	DXFUCOKATOVAAC-WPWMEQJKSA-N	609.340	5.264	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(Br)cc1	408533477	SJRNZBUQOXNJKO-ZDLGFXPLSA-N	548.072	7.617	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br	408538204	KDYRAOQTTQJXOQ-QGOAFFKASA-N	552.282	7.636	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(Cl)c2)ccc1OCc1ccccc1	408539633	IYBCKSOYQVYABA-YTJQMYRNSA-N	685.604	8.902	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408541923	GNFZZCGNXXLDEH-IUXPMGMMSA-N	556.756	5.834	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc(C(=O)O)cc1	408544832	XTYRXQMPERVVHY-UUYOSTAYSA-N	657.245	7.390	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c(C(=O)OCC)c1C	408547489	XXISANAXUPNWSW-PXLXIMEGSA-N	589.113	7.094	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccc(F)cc1	408555302	WWXCPXDHAKLIEB-VCHYOVAHSA-N	566.452	6.533	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408602677	FGUCYWJSOLQBQK-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(CC)cccc2CC)ccc1OCc1ccc(Cl)c(Cl)c1	408607675	DXJGJIOHTUQAAN-WCMJOSRZSA-N	542.463	6.185	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638116	BWSYEHRHXSRKON-VCTPWBKUSA-N	738.493	7.678	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408650207	ZWILPOAYHNPQDW-HXUWFJFHSA-N	578.767	5.575	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)c1	408756441	VDJLMACINQCBBK-DEDYPNTBSA-N	585.476	5.868	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccccc1C#N	408756887	UXZMKNXTMRKFIC-JMIUGGIZSA-N	628.264	6.449	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(I)cc1	408765537	LXQVYZPBMCTOAE-ZDLGFXPLSA-N	682.150	7.340	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)cc1	408780010	PRDDKWPXFNKAKJ-KQWNVCNZSA-N	551.559	6.811	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408787575	BZZAILUPJAUFDI-WOJGMQOQSA-N	516.222	7.189	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	408789948	SUXICLBCAVGVJN-YBFXNURJSA-N	545.850	7.569	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c1	408795839	WIGIFXLSNWUOOH-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	408802462	FHXNAHBAHCCNCP-LDADJPATSA-N	520.814	6.660	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408824581	IFRHBVRMSOEVJM-OCSSWDANSA-N	552.052	5.405	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCc1c(C)ccc2ccccc12	408834284	UFEAVQCGAIQJBX-WSDLNYQXSA-N	682.942	7.947	50	40	KKGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408842840	LDNJLTCQEWWNGF-BRJLIKDPSA-N	523.914	5.387	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408849016	YJQFHVUBLMYXRB-KVAAJVFYSA-N	568.485	8.531	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4OC(=O)c4ccc(Br)cc4)cc3)sc2c1	408849374	YBAGNEVXEQFSFC-KVAAJVFYSA-N	646.950	7.861	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408855165	CWGRSEJZUDGNBG-ULPWCQAASA-N	679.106	6.777	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408857700	LSNGIIUOECCFLI-DPNNOFEESA-N	697.564	5.608	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccc(Cl)cc1Cl	408866434	FUGMBODHHKTJQU-UFQNKKNMSA-N	645.340	6.723	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1ccccc1Cl	408867395	KSRIOSBIKCJKMY-SRZZPIQSSA-N	632.882	6.163	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1)S(=O)(=O)c1ccccc1	408874798	AXGCPXBSZOARLG-WVKHYPTHSA-N	701.632	7.479	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OCc1ccc2ccccc2c1	408874870	DQLMCZPXBSXYKS-JFLMPSFJSA-N	522.601	6.058	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)c(OC)c1	408877122	QBKWVKDQTNJTND-RGVLZGJSSA-N	588.829	5.764	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408881987	ONNCVPBCYFBJJY-IPPBACCNSA-N	608.942	5.223	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc(C(C)(C)C)c1O	408884471	XFXAETUOVNZFDF-XJECJHNESA-N	678.893	8.828	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3cccc(Cl)c3)cc2I)c1	408924092	NUUFJOKPCYXDAX-RPPGKUMJSA-N	630.651	6.201	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1ccc(F)cc1	408925241	QRRGQEYIFFKUNS-VCHYOVAHSA-N	587.345	5.780	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)c(OCC)c1	408945712	LEOZPCOKPMOZQN-SSEXGKCCSA-N	637.158	5.203	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1	408979125	LMCZPGCNRKMDER-ZVMZLPNLSA-N	524.415	5.356	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1Cl	408989242	SUMVHNFWYRWBAJ-IUXPMGMMSA-N	595.118	7.952	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	409004615	XTHBWTOMLYPTPE-XSCNPWQVSA-N	562.069	7.084	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc2ccccc12	409015885	PGGKYAQAJUVCQT-ZZXRGAGZSA-N	500.426	5.595	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	409023380	SWNLEIXBINVGKE-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1F)c1cc(-c2ccccc2)nc2ccccc12	409032024	HWPBLAJHHXIUQD-DPNNOFEESA-N	509.968	7.037	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)cc2)cc1	409044561	GYFWIBZBTUFFHT-XMHGGMMESA-N	554.002	5.594	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1cccc2ccccc12	409065657	IOTVJZHRIOBMNM-NLRVBDNBSA-N	504.586	6.797	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409069747	WDAIBBYMHUJSOB-MHWRWJLKSA-N	606.838	5.723	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409071472	OTTDLYXIWYGHPB-HMMYKYKNSA-N	520.994	6.440	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409086101	YHHKEDGPBLTIRU-OQLLNIDSSA-N	609.298	6.565	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409116127	OKUVCBXLEVFTOL-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2cccc(Cl)c2)cc1	409147208	VHAFSKSWWIHFCM-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1C	409186841	INFUBMUBNOUMLQ-NDENLUEZSA-N	540.255	6.953	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)cc2c1	409187523	RMLFMCPGTHIJHC-CPDSRJINSA-N	631.398	5.365	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409219151	JOGSZEDFMGZKLC-RAWMCFOBSA-N	522.728	5.547	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1	409226582	UVFDNMHTCBTTRQ-LICLKQGHSA-N	514.796	6.518	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1ccccc1	409234256	JPOBOBSMOVKJFG-YIRYVTQCSA-N	558.419	6.808	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccccc1	409238772	LXLZQJCUWYLGMA-WCEBZYJUSA-N	506.356	5.721	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409242746	SVKCOXGJRQGFIX-YPXUMCKCSA-N	539.872	5.884	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409253215	WLNYUFSODLKILI-NDENLUEZSA-N	581.410	5.480	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl	409254272	YPGKSXSIRKOXLD-LICLKQGHSA-N	559.247	6.628	50	40	KKGB	
N#C/C(=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1	409266380	WICRDUBFPZNYHR-YBEGLDIGSA-N	500.769	6.210	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)ccc1OC	409323526	PRHSVEBZYDYZKA-WKIKZPBSSA-N	646.741	5.804	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OCC	409325682	ZPGWNUUTSITVEK-FZPRHHONSA-N	602.515	6.669	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409371256	BTBNALBIAPQGAT-NVMNQCDNSA-N	557.275	7.983	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371772	NUNHPODKEBUQOX-IDUWFGFVSA-N	626.163	6.586	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1	409384074	ZKSHJRQZEKKEPL-OKCVXOCRSA-N	596.421	5.813	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409387499	WVLUCZSQFGNCIR-XKJRVUDJSA-N	578.861	7.511	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccco1	409394589	CMVSDBNIOCUNKP-UHFFFAOYSA-N	580.797	6.966	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396106	ANXJQFLSMOGZBK-UHFFFAOYSA-N	656.091	6.813	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396574	XHWDFOHVFSHHKL-UHFFFAOYSA-N	628.081	6.896	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397282	IHSXENIQZDUPPU-UHFFFAOYSA-N	600.502	8.086	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409397333	IUQSONMINITACT-UHFFFAOYSA-N	663.855	6.805	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3Cl)cc2OC)cc1	409397667	MNKWYTHREXIPMP-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(OC)c4)c(OC)c3)c(-c3ccccc3)c2c1	409397747	NNYIHTBFHIAVFN-UHFFFAOYSA-N	563.610	6.234	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409398616	UVKNDCAPLLUSAL-UHFFFAOYSA-N	644.080	6.514	50	40	KKGB	
CC[C@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1[N+](=O)[O-]	409401915	IQKIINOXVZSMQS-KUVSIYKGSA-N	609.477	6.878	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1O	409402768	KYECXHLMXMTBKR-CPDSRJINSA-N	631.321	6.659	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1C	409405915	VHCCKATZKMMFFX-CLHYIUPASA-N	665.703	6.663	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409409403	OSXVFUKSOQGKDK-XZYGTATASA-N	642.506	7.020	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409410243	UGXCUPRIJBEPKQ-VHFSBPNMSA-N	632.500	7.565	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	819744	PNMXPRUQULIBEH-WWTGGXICSA-N	526.818	5.185	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccc(Cl)c(Cl)c1	6177770	CVKMXCWWEIWZCQ-KBKYJPHKSA-N	525.299	6.547	50	40	KKGB	
Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1	8717769	DULDPRWAVJCCCT-YMGIJWJESA-N	518.436	5.823	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)c(C(=O)O)c1OC	17527818	JJRUBNNGACEDKE-UVHMKAGCSA-N	522.355	5.077	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1	20197382	GAAKIAMSWQTYJD-OGLMXYFKSA-N	511.416	5.980	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2cccc(Cl)c2C)cc1	20207102	NBJMIKIESIJNMJ-UVHMKAGCSA-N	508.402	5.095	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1)NCc1ccco1	59646339	LDPVKNZKIRMPRD-WCMJOSRZSA-N	534.037	5.684	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)ccc1O	59646925	CPHTVJHFNRGCBP-BIZUNTBRSA-N	578.090	5.912	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1	59856512	CEPBFIWPPKATJD-MWAVMZGNSA-N	558.616	5.153	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)N1	96933939	ASSTXBROCNQCIK-YTTGMZPUSA-N	607.135	7.839	50	40	KKGB	
COc1ccc(-c2nn(Cc3ccccc3)cc2/C=N/NC(=O)c2cc(-c3ccccc3O)nc3ccccc23)cc1	97965614	WMDCIKYRVLKGQW-JEPNHJGPSA-N	553.622	6.292	50	40	KKGB	
COc1ccc(/C=N\NC(=O)COc2ccc3cc(Br)ccc3c2)cc1COc1cccc(C(F)(F)F)c1	97965881	GNMTYMUFRJEAMC-UHIZKJEFSA-N	587.392	6.738	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1N=[P@](c1ccccc1)(c1c(C)nn(-c2ccccc2)c1C)N1CCCCCC1	97984762	QRGAKIKQBSDWHS-LHEWISCISA-N	527.609	6.980	50	40	KKGB	
Cc1ccc(CSc2nnc(N3C(N)=C(C#N)[C@H](c4ccc(Cl)cc4Cl)C4=C3CCCC4=O)s2)cc1	98006217	XTVGFGHKRMJIAC-QFIPXVFZSA-N	554.528	6.750	50	40	KKGB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21C(C#N)=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C1C(=O)CC(C)(C)C2	98007287	OXIKDZYATZXFPT-LJAQVGFWSA-N	657.143	6.858	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1C	100125927	SBIZAPYDKWCNNE-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1	100339999	USVMJGOSJPDQIE-WEMUVCOSSA-N	562.091	6.207	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343506	CZLFRBQEECKGSY-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1	100859815	MBCQIOLEGKLIOK-RGXNXFOYSA-N	583.515	6.391	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3cccc(Br)c3)Nc3ccc(Cl)cc3[C@@H]2[C@H]1Cl	102682800	KUAAYTYBXYXPSK-DHMZULSFSA-N	550.305	8.049	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccc(Br)cc1	103882753	KVCBKWKIWKTEQF-CLCOLTQESA-N	539.477	6.016	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(F)cc1	103883464	WTPUZLBZSKFXNG-JCMHNJIXSA-N	550.428	5.432	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	103885483	MIUNGUUNRXQURE-AUWJEWJLSA-N	543.053	5.548	50	40	KKGB	
C[C@@]12CC[C@H](OC(=O)/C=C/c3ccccc3N(CCCl)CCCl)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12	104275822	XZWKOCGAAATECU-DQGDJLCHSA-N	575.621	6.807	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1	105511536	LEVYAHISMOGHCP-KVAAJVFYSA-N	618.915	6.699	50	40	KKGB	
FC(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342193	BKOPYBRKGBWACL-REOHCLBHSA-N	692.016	8.387	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1	162430215	KRISRHFMFRCLNH-FNTLCPBMSA-N	673.235	6.636	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538866	CSNBLIXQDOSUCC-RGXNXFOYSA-N	510.590	6.016	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)ccc1OCc1ccccc1	408552228	IEHQYHHOPIJZQP-MJXLXAJKSA-N	657.348	7.125	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc(Cl)cc1Cl	408566138	DMQIHNXUFHMAGN-UVHMKAGCSA-N	518.353	5.652	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1OCc1c(Cl)cccc1Cl	408606776	AXSQCXXYMSTMEQ-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Cl)c(Cl)c1	408610299	NHYOCSKZKMEVCT-WKULSOCRSA-N	514.409	5.622	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408671400	KWMFUVPXUBVJNN-FSDCSDTHSA-N	574.191	5.384	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1	408725712	NCCGDCJDYBBCHY-ZDLGFXPLSA-N	601.251	6.643	50	40	KKGB	
COc1ccc(C(=O)N/N=C(\COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccc(Br)cc2)cc1	408733971	ABOUXDVKGIXQAL-VBMGMRCRSA-N	573.531	7.139	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c1	408744979	OITOFVHKDKCHMM-NVMNQCDNSA-N	544.218	6.784	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1	408746389	YUEBMKQQYOVKOO-WQRHYEAKSA-N	512.349	6.425	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1cccc(F)c1	408750397	MJFZWGUXGJIKMC-KCSSXMTESA-N	563.423	5.562	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408785315	WHPOCGYDGDSTDJ-BWAHOGKJSA-N	587.474	5.921	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12	408785723	BGKJINJGKSBIRW-LQKURTRISA-N	512.418	5.492	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408791965	FUTCLFRSIUABOL-VIZOYTHASA-N	526.634	8.078	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408798552	VQGQIULKWHNUTF-GIJQJNRQSA-N	709.234	5.715	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)c1C	408799343	YQAMUBDZUUYSKZ-VXLYETTFSA-N	666.151	7.558	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1F	408806686	BBFAREADDPVVMU-DBFSUHOCSA-N	637.243	6.681	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408809172	KMMOAZBGIXUEOM-KGENOOAVSA-N	521.411	6.371	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1c(C)ccc2ccccc12	408813407	NCPTZZORQVMANW-LFVJCYFKSA-N	511.021	7.633	50	40	KKGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408821208	DRGUCCVNKYYZPS-MNBJERMJSA-N	685.303	6.438	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1cccc(C)c1	408821790	ASDPSEFWIOUJSU-WGOQTCKBSA-N	587.503	8.404	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2cc(C)ccc2C)cc1	408825970	BUIWREGCOWJVOA-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1cccc(C)c1	408830298	NWSHVJPFGVHEQE-WGOQTCKBSA-N	631.954	8.513	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1	408831546	ZTSCKTKSINIEJS-UHBFCERESA-N	585.469	5.066	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408832676	YMGYNPQHAIMBKE-IBBHUPRXSA-N	568.017	5.800	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408839293	QFNSHOZXAZDFQU-FJEPWZHXSA-N	644.922	7.149	50	40	KKGB	
COc1c(Cl)cc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408839737	VZENOQYGGXLUEU-XODNFHPESA-N	555.885	7.051	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408844295	BYLWJSDMMRHBLN-LJUMEUDFSA-N	576.447	5.540	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc(F)c1	408848293	SXSTYGWGSIBRQZ-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(C)c1OCc1ccc(Br)cc1	408851588	LLTFRKFPJZTZOP-UVHMKAGCSA-N	501.808	5.827	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1Cc1ccccc1Cl	408867599	LTZYXTPGOCHTAI-RGVLZGJSSA-N	556.831	6.707	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1Cc1cc(C)cc(C)c1	408869621	STWJNEHVNSUOJC-KEBDBYFISA-N	556.831	6.707	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OCc1cccc2ccccc12	408884141	WBHGLPZHZARZRE-LPYMAVHISA-N	608.863	7.540	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1	408886841	JENRTOOOBCUBSE-LICLKQGHSA-N	557.198	6.244	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(Br)cc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	408912390	QOYNVTGVFGNNGT-FDAWAROLSA-N	559.416	5.113	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408922060	CYNBMYFXYWUVMX-ZXVVBBHZSA-N	641.514	9.035	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1	408946918	MZXMWQUCFATKJT-GDLZYMKVSA-N	655.148	5.342	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(I)cc2)c(OC)c1	408955691	OWHAZCHERDDVHR-RZNGARSMSA-N	777.410	5.361	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2I)c1	408962332	HMHYJZRBFBNZRT-XODNFHPESA-N	538.307	5.961	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1cccc2ccccc12	408978055	GUWNWAQGPXBRKT-QLLMVALISA-N	557.650	6.439	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1c(C)cc(C)cc1C	408978271	HPEKLBYDYVKTMT-IIYUFLQKSA-N	575.706	5.760	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(OC)c(OCc2ccccc2)cc1Br)c1ccccc1	408979607	NFGCBRNMYQCOJZ-WWUWQWKFSA-N	554.441	5.364	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1Cl	408982049	FJRXYZFLOSTZQF-IUXPMGMMSA-N	672.663	7.121	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408999229	QCXLGXNMDIXDBA-NLLYSOFASA-N	640.589	6.840	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccccc1Cl	409012418	HYMZBUCLSQZCRI-BGAQIWSJSA-N	709.070	7.998	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409014787	JSPYZSZWIUJGIX-FZKWRIDDSA-N	553.659	5.650	50	40	KKGB	
COc1cc(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1C(C)C	409015337	OTFCNJODRPSCEZ-PPASITCDSA-N	536.500	5.882	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(I)c1OCc1cccc(C)c1	409019347	RDHQRCILTJJVTR-MNDYBZJGSA-N	581.410	5.265	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1ccccc1F	409022138	FYRFVIGKONNBGY-BVMLUPFRSA-N	552.400	5.643	50	40	KKGB	
CCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409033169	NGQRRWFBZKMRNJ-WKULSOCRSA-N	525.461	7.413	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	409046736	LTMSUZRUSBUEGG-SRZZPIQSSA-N	554.282	7.262	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409056282	CCWVQPQSRIXZGH-WKULSOCRSA-N	550.439	5.039	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	409092727	WJAIEXZFWLVDRW-VGOFMYFVSA-N	590.140	6.793	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)OCO3	409102597	YWERHDDQPMIQCM-JOCHJYFZSA-N	590.655	6.391	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1C	409181288	ARTLSMQEKVPBPQ-CBDJKPBHSA-N	574.080	5.852	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	409185784	QBRFITVANZBGQH-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1ccc(Cl)cc1	409195567	WMINXRNEHVLQTH-YPXUMCKCSA-N	502.612	7.297	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)c1ccc(Br)cc1	409223552	GARSHHFMLAWAPJ-UHFFFAOYSA-N	562.376	5.286	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(C)=O	409226118	SXADZSRZEQUXNF-UHFFFAOYSA-N	754.344	6.289	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)c2)ccc1OC(C)=O	409226454	TWJZFYHOSORXNO-UHFFFAOYSA-N	595.608	5.173	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)NCCCc1ccccc1	409230679	FIFADWMECVXTGY-JCMHNJIXSA-N	567.383	5.434	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409231100	BMGAWOBCKYWQEQ-HAHDFKILSA-N	594.431	8.000	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409244740	IBRMSQXWRFBSKD-BKUYFWCQSA-N	527.821	6.477	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)c(OCC(=O)Nc5ccc(Cl)cc5)c(Cl)c4)cc3)cs2)cc1	409255580	MFIJGXOZBJUMSP-HTVDVWKISA-N	665.002	8.604	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409265943	XAJUXYKNOGYCMG-VCHYOVAHSA-N	543.929	6.239	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)cc1OC	409305307	VFFMXNIPSJLBAQ-DICXZTSXSA-N	624.307	5.317	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)ccc1OCc1ccccc1	409315448	VJXRPTMYKCMTNC-FZPRHHONSA-N	656.904	6.884	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)ccc1OC	409322282	ISZTZQBTYSCOMQ-UHBFCERESA-N	540.016	5.236	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C)cc2)cc1OCC	409324258	RWNRLWIWPVOGPY-RHANQZHGSA-N	525.443	6.288	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OC	409325823	BNAQAESPQRARQN-CPDSRJINSA-N	643.305	6.747	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409359767	YAUAEDWWHOTAAV-IPBVOBEMSA-N	614.107	6.254	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1Cl	409374770	YWMIFHBOEJDCRZ-RQZCQDPDSA-N	590.248	7.516	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(Cl)cc1Cl	409384966	HNEKVUQWQBWIHB-XKJRVUDJSA-N	670.312	7.463	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc2ccccc2c1	409385378	JZUBXIGHJXCCTF-WCMJOSRZSA-N	604.482	7.467	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1	409387436	QIYZERKHHMLHOE-WOJGMQOQSA-N	538.354	5.456	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(c1ccccc1)c1ccccc1	409390300	CHWSLIOZAHRJTP-KYHGBAKBSA-N	568.298	7.617	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409394787	FVTPWXFMEACMHP-UHFFFAOYSA-N	709.778	8.034	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(OC)cccc2c1-c1ccccc1	409395190	KURULAGAOAYPQP-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396597	YQEQTSYOVZHSSJ-UHFFFAOYSA-N	634.054	8.451	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409396626	ZNNDQOALTCXJQB-UHFFFAOYSA-N	694.811	8.062	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409399323	ZMJRARMZKRRCRC-UHFFFAOYSA-N	621.999	7.507	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3ccc(Cl)c(Cl)c3)o2)cc1	409400049	BDCGMOATWASTCS-QMRORBIVSA-N	633.488	7.824	50	40	KKGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409409060	MJNLLWAZPHWYTP-CAQPMQTCSA-N	514.601	6.078	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1	1529547831	PQJOFKHDIFMQHB-MKEMXLLOSA-N	936.348	5.964	50	40	KKGB	
CC(C)Oc1ccc(Br)cc1/C=N/NC(=O)N/N=C/c1cc(Br)ccc1OC(C)C	2126452	YXCCOAFLNXGUQA-DHSUVYDUSA-N	540.256	5.453	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2cc(Br)ccc2O)n1-c1ccccc1	2740385	LENQZBJOIWCBMD-HHNYEPMJSA-N	599.942	5.940	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)c(Br)c1	3101169	LMKGLODVAVNMAA-AERZKKPOSA-N	599.899	5.280	50	40	KKGB	
Cc1ccc(-c2csc(N3C[C@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)n2)cc1	8715718	UBTNIHWAKJACKK-WIYYLYMNSA-N	517.434	5.548	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1	16712152	ZUJPVGTVYOPVOZ-MUFRIFMGSA-N	511.434	5.633	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)N1CCN(c2ccccc2)CC1	59333345	XTDZSTDTJJIYPO-NKFKGCMQSA-N	502.412	5.284	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(=O)Nc2ccccc2)c1C	59528019	LUNVSRCRFPWNOF-QNGOZBTKSA-N	542.686	7.202	50	40	KKGB	
C/C(=N\NC(=O)c1cc(C)nc2c(C)cccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965699	XEDVUEMTTBMJHI-HBHSWBPBSA-N	528.428	5.777	50	40	KKGB	
COc1ccccc1[C@H]1C(C#N)=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C1C(=O)CCC2	98006209	CNQWVNRUEQXTEH-QFIPXVFZSA-N	569.634	6.163	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)c2C)cc1	100119649	QABUYHUNNXVCRM-SEBMTOOBSA-N	625.194	7.524	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3)o2)cc1	100139513	ULGQFOKAYXYTTB-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccccc1Cl	100326257	OHUKPVYNERCTFP-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
CC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1	100848677	OSFBWDWTEGNTAL-DOPJRALCSA-N	522.075	5.514	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)ccc3F)nnc2-c2ccc(Cl)cc2)cc1	100852043	NBSBGZPLZWPIDZ-IPPBACCNSA-N	588.890	6.130	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1OC	100858716	FLJKMFPMSJVXPM-QRQIAZFYSA-N	566.481	5.347	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1cccc(I)c1	100957327	MHHWVQWMCVDIGG-UDWIEESQSA-N	573.394	5.583	50	40	KKGB	
Cc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)c(C[C@@H](Br)CBr)cc12	101053255	KOKUZDLUKHUQFA-OFNKIYASSA-N	623.338	5.967	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccccc3Cl)Nc3c(Cl)cc(Cl)cc3[C@@H]2[C@H]1Cl	101076828	MFHGWWLWCZKEAZ-SNBNJOFPSA-N	540.299	8.594	50	40	KKGB	
C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(C(=O)OCC)c1C	101089374	SIDRSJNTVRGRJG-LGMDPLHJSA-N	539.635	5.693	50	40	KKGB	
O=[N+]([O-])c1cccc(P(=O)(Oc2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)c2cccc([N+](=O)[O-])c2)c1	102891492	IISKPFIAPILNGA-UHFFFAOYSA-N	584.461	5.450	50	40	KKGB	
CCOC(=O)C(CC12C[C@H]3C[C@@H](CC1(C)C3)C2)(CC12C[C@H]3C[C@@H](CC1(CBr)C3)C2)C(=O)OCC	102918041	ZCNRWLAUYHYCSK-QWVGPCHDSA-N	535.563	6.687	50	40	KKGB	
CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527899	IABUHMJGHDOUKS-YFKPBYRVSA-N	566.086	7.354	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1cccc([N+](=O)[O-])c1	103754192	KPFAZYXKCMTXNV-CCVNUDIWSA-N	569.580	5.513	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(Cl)cc1	103889146	ISOFJEGNTABVMV-STZFKDTASA-N	541.862	7.899	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	104704587	KWCSPYQBFNKBTQ-KEIPNQJHSA-N	593.080	5.776	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	105586959	PTLKFCGZOUKOKC-QXUDOOCXSA-N	537.084	8.128	50	40	KKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)C[C@@]34C=C[C@]12[C@H]1C(=O)OC(=O)[C@H]14	257348545	GUHFPOVODRBWFL-AKQCKWIASA-N	688.818	8.018	50	40	KKGB	
COc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2)ccc1OCc1ccccc1	408537971	ISCOAPLMNBHPET-VEILYXNESA-N	518.613	7.016	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br	408538133	JPQRBOHOYIYDPO-QGOAFFKASA-N	550.291	7.202	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc4ccccc34)cc2OCC)ccc1OCc1ccccc1	408541288	YVIMMYBPGLTVIX-BIKKEBSBSA-N	609.122	8.213	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(C(=O)O)cc1	408543089	OSJJCTFMTAHWNS-NVMNQCDNSA-N	547.630	7.206	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc2ccccc2c1	408549746	YCAVBQTYWWTFBC-NKVSQWTQSA-N	682.126	8.999	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552080	NZGKCFRDRLTFBE-AIMOZCANSA-N	820.924	9.299	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(Br)c(Cl)c1	408555309	XABKCAMYGUJMGA-LICLKQGHSA-N	539.886	6.868	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1cccc2ccccc12	408555908	ZVHKSCRVWAHHTQ-OEAKJJBVSA-N	612.549	7.938	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(Cl)cc1Cl	408580687	QWBOBFFZCMYUDU-VIZOYTHASA-N	528.060	8.706	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1[N+](=O)[O-]	408598811	JZOVHEHBPGNAQA-OPEKNORGSA-N	567.621	6.116	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cccc(Cl)c1	408598926	LFZYAKASCFFKFV-NHDPSOOVSA-N	553.681	8.661	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)C(=O)Nc1cccc(Cl)c1Cl	408610182	MPMFDCHYZRIQTA-ORBVJSQLSA-N	529.182	6.107	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1	408655272	RLUPJVJTXUEHNT-CPJSRVTESA-N	509.961	5.703	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408728839	VCVICKUOMSTRKF-IPPBACCNSA-N	613.279	6.277	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1	408738207	QKQWQIIDVVXVSN-LIYQASSCSA-N	564.642	5.597	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408745474	MOWWHIRVIYGVEE-UCQKPKSFSA-N	543.417	6.744	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408758957	VNIBLMDOPRVLIR-LPYMAVHISA-N	624.456	6.075	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408765033	VYWCDFPJNPWYJB-LQKURTRISA-N	598.431	5.441	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)c(OC)c2)cc1	408778638	JEOCJNODMKFDGV-WQRHYEAKSA-N	572.253	6.353	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(F)cc1	408787963	HUQHFWODXMSNBE-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(I)cc1	408787997	BWTHPRNMMGZSAF-SXGWCWSVSA-N	525.184	5.064	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCC#N	408788388	CQYPDEWDJHVYHV-DEDYPNTBSA-N	565.367	5.327	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408792876	LXUYTRNXNDWTOL-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408793647	FYMKUUYWOHXZIC-FYJGNVAPSA-N	528.362	6.635	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408796351	NUMGKCKHPWOUAT-OEAKJJBVSA-N	791.221	8.362	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1	408797058	ZZNKFRGCVNTHQM-VXLYETTFSA-N	539.357	5.508	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)c1C	408797349	RHODFWWJNCTFII-VXLYETTFSA-N	605.245	6.934	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408821865	KYYCZXYDHLEFQS-LQKURTRISA-N	658.536	7.929	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc(C)cc1	408823541	DWSADCDFNNQBGM-MFKUBSTISA-N	664.927	7.965	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)NC1CCCCC1	408826493	GXMHTCRJRLEXHY-DAUMYKHFSA-N	570.715	5.052	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1cccc(Cl)c1	408835539	NQINKTONHKLNNB-YDZHTSKRSA-N	685.345	8.310	50	40	KKGB	
CCOc1cc(OCC)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408838399	FFUVZICTMGWJRA-FJEPWZHXSA-N	599.938	7.531	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1	408841261	DZWKLDCEHYYSNN-DPNNOFEESA-N	568.054	7.099	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408842142	MOAUUXXTKUDNNA-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)cc1	408843075	DBUUZNVBEPJZTH-JWGURIENSA-N	580.493	6.832	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1	408843087	RGZAKBSTKCQZDN-DPNNOFEESA-N	609.079	5.151	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(Cl)cc1	408844411	IHBKWBGEYFFGLO-LRIZEKIPSA-N	590.123	8.186	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408848027	WQCUJMAXEINDEZ-KVSWJAHQSA-N	667.754	7.347	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(I)cc1	408849469	YZJFJWUDISKFDQ-KULFSUQXSA-N	787.905	9.316	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)cc1	408849634	XWJNESNUPNVMMR-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC(=O)OC	408854849	JZVUEPRCOAYKQY-CAQPMQTCSA-N	546.023	5.821	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408861454	ASQFJAZPMAGVRC-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408873432	RDRPXWQMRNXEDL-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1cccc(Cl)c1	408884812	YIWHCTNZQLJCFJ-FOKLQQMPSA-N	519.695	5.475	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408886898	JSMPYABDWSSFMP-KKMKTNMSSA-N	567.223	6.406	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OS(=O)(=O)c1ccccc1	408888458	VQZVXISVAYBFJG-GZTJUZNOSA-N	608.841	5.657	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OC(=O)c1ccccc1	408891526	RYWXSXWAWHKRFD-WOJGMQOQSA-N	525.786	6.266	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1Br	408892176	BPWYWCLSFCZLDF-YBFXNURJSA-N	603.254	6.495	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OCc1ccccc1C	408925551	SBIOTXNPGKIQGC-GIJQJNRQSA-N	593.248	7.040	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c(OC)c1	408948059	BTGZMEJORDNMAV-HVJLQFNCSA-N	903.306	5.966	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCc2cccc3ccccc23)c(OC)c1	408957181	SSFJXWXRLLEXQU-GPNAAFTMSA-N	778.600	5.761	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(I)cc1	408966249	OFQKCWCOJAQBMP-MZJWZYIUSA-N	585.354	5.687	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1	408973294	YEVOGHNZGCWXOW-UQQQWYQISA-N	533.024	7.826	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408979548	MSEXDEIDNKBXSS-KWAQJPELSA-N	556.460	6.040	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)c2C)ccc1I	408989253	SWZYKGDPLKSHRY-XDHOZWIPSA-N	529.809	6.515	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409001102	GTUSEKBDZKYVSD-YFCJGIHKSA-N	859.512	5.202	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409010946	DWSWNQPAKSZZOM-HASSKWOGSA-N	616.158	6.753	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc(Cl)c2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409035753	UAPJHMRFHOIRNF-KVAAJVFYSA-N	743.770	8.107	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)c(C)c1	409048299	SHNXRNJJFWZRHB-VXLYETTFSA-N	558.245	7.092	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1Cl	409052194	GQEHTVWEHARCER-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1C#N	409053159	LPWKTPQLZMGEFR-IPPBACCNSA-N	573.818	5.866	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409055853	BLSDJQRETRHGFG-IPPBACCNSA-N	552.911	6.111	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1)Nc1ccccc1	409082802	SWZOGVFCGZNHDA-CFRMEGHHSA-N	597.194	5.630	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409091116	PJWZCASXGAIYHY-FYJGNVAPSA-N	551.521	7.306	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	409136724	UTNJQMCCGIZFDM-ATZGPIRCSA-N	724.404	6.531	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409143548	MRCQMUZWMFSVAE-HXUWFJFHSA-N	658.661	5.943	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	409183543	CWRLLMDOQGJHOU-FMFFXOCNSA-N	608.116	6.026	50	40	KKGB	
C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409185365	KVTDOPSVMKQWQN-UDRUIPQISA-N	548.668	5.867	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409186303	ACRTUGOVFLDFPY-ZMGVVAQMSA-N	553.442	7.218	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1ccc2ccccc2c1	409189995	PKWXRHBHEVBZEC-IPHFVPNQSA-N	548.639	7.455	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)NC1CCCC1	409190322	WTJACKJBZCABLD-SXGWCWSVSA-N	585.667	6.252	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)NC1CCCC1	409191416	GYELPBSGAMZOIV-MFOYZWKCSA-N	642.231	5.139	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc2ccccc2c1	409199789	DLQOACIGPWXROK-OYKKKHCWSA-N	576.390	7.394	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409218289	HPSVPUVKBXBCBD-YBFXNURJSA-N	568.855	6.373	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409227716	VONLRDWGKBVUSI-MBTHVWNTSA-N	522.945	5.216	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc(Cl)cc3)c2)ccc1OC(C)=O	409227788	WVSLLRNDGDXWNL-LLTLFIAUSA-N	769.830	7.434	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)c(I)c1)c1ccccc1	409241384	SFLVPNYZJWIDLI-WCEBZYJUSA-N	526.349	5.794	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1	409251408	QCNUANXOGQJTFR-WKIKZPBSSA-N	505.771	5.522	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl	409256685	NDZBCRDBPZEDNI-YVLHZVERSA-N	514.796	6.518	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1	409257881	RFOYGNFVOHTGOD-WQRHYEAKSA-N	569.253	6.083	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccccc5Cl)c(Br)c4)cc3)cs2)cc1	409265229	RLXBYEPHGUJYSI-QMRORBIVSA-N	675.008	8.059	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409322932	LZVURARAONMYRB-YADHBBJMSA-N	562.475	5.119	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1cccc(Br)c1	409327167	QMLFFNAMVKIGSB-QZTJIDSGSA-N	526.239	5.427	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409365237	TYKRVUZSSRDKDZ-NDENLUEZSA-N	566.427	6.167	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1ccccc1	409372794	KMRWSARKNAHKBX-OCSSWDANSA-N	533.422	6.353	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccccc4C#N)c(Br)c3)[nH]c2c1	409373381	ILNLDWUFTOTPOU-OCKHKDLRSA-N	503.787	6.802	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(I)cc1	409374379	OAPHUNDZTHGNOA-ZDLGFXPLSA-N	600.254	6.890	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)[nH]c2c1	409374679	WMVHXWOICBERPY-IUXPMGMMSA-N	568.225	6.948	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2F)ccc1OCc1ccccc1	409376026	SKAMPVLNUCMBKI-HQDYHJHZSA-N	620.475	6.347	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccc(Br)cc1	409392930	OJCJJXKEAPVZSD-NVMNQCDNSA-N	517.192	7.002	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395325	MHGVAWMCSYQPJQ-UHFFFAOYSA-N	644.909	7.525	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc(OC)c1OC	409395363	MRXQXWRXUMTZTJ-UHFFFAOYSA-N	786.271	8.131	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397121	GMZPTCFANHSMMQ-UHFFFAOYSA-N	552.030	7.179	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397397	JKFWRAGNIIEQAM-UHFFFAOYSA-N	541.991	6.690	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409397533	KYMRSPJSHQPPEC-UHFFFAOYSA-N	537.959	6.200	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OCC)c3)c(-c3ccccc3)c2c1	409397660	MKNMHZMTJIITJD-UHFFFAOYSA-N	577.637	6.624	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397761	NUONAGFNMUBFAH-UHFFFAOYSA-N	646.925	7.560	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccco1	409398432	SYAFMOZGSKQLTB-UHFFFAOYSA-N	575.362	6.016	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1cccc(F)c1	409399913	LZWUZCJSYLCRPQ-UHFFFAOYSA-N	567.617	6.757	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1O[C@H](C)C(=O)O	409404883	RFMJLRHWOLSPLJ-NFUYZNGSSA-N	703.384	6.806	50	40	KKGB	
CN([C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C	1857794976	BRPXMMWNFBEZDO-KKMSLZIYSA-N	607.740	7.013	50	40	KKGB	
COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N/c1ccc(-c2csc(Cc3ccccc3)n2)c(Cl)c1	1711037	MHVUILRLWFLHPB-DPNNOFEESA-N	588.988	8.106	50	40	KKGB	
CC(C)(C)c1ccc(OCCOc2ccc(Br)cc2/C=N/NC(=O)c2cccc(Cl)c2)cc1	2307408	KXWGUWCDNWCDOU-STBIYBPSSA-N	529.862	6.622	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(-c2ccccc2)cc1	2698757	WAHWKKZSAGTPRQ-FDAWAROLSA-N	569.488	6.001	50	40	KKGB	
C[C@@H](C(=O)c1c[nH]c(C(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1)c1ncc(C(F)(F)F)cc1Cl	3105481	DVUYPQXHYOACKX-MRVPVSSYSA-N	540.251	5.892	50	40	KKGB	
C=CCN1C(c2cccc(C(F)(F)F)c2)=CS/C1=C(/C#N)c1nnc(N2CCOCC2)n1-c1ccccc1	3195275	CLTXHTDXULYSJJ-LVWGJNHUSA-N	536.583	5.548	50	40	KKGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3oc4ccccc4c3CSc3ccc(Cl)cc3)ccc21	3315261	SFUXZIZSNHSUIC-UHFFFAOYSA-N	519.026	6.131	50	40	KKGB	
N#C/C(=C/c1ccccc1)C(=O)Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCOCC1	5942104	CVLMDQLTHAXYON-RGEXLXHISA-N	557.459	5.176	50	40	KKGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1	6141727	IWLRHVOMDRXXQP-AJBULDERSA-N	551.628	5.113	50	40	KKGB	
O=C(CCC(=O)Nc1cccc2ccccc12)N/N=C\c1ccccc1OCc1ccc(Br)cc1	8399555	MXKYEIGDRXVMHJ-YKQZZPSBSA-N	530.422	6.050	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	8437029	LIDHVJABHSYMMT-HQDYHJHZSA-N	570.531	7.835	50	40	KKGB	
N#CC1=C(N)N(c2ccccc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@@H]1c1cn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1	8450962	BKYMKLUIMCNFRW-LJAQVGFWSA-N	611.489	7.118	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9836778	TXIADMWXOWUZCC-NDZAJKAJSA-N	529.666	5.579	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1cc(Cl)ccc1Cl	10118549	ZZGCDRAGECKTBF-BHGWPJFGSA-N	512.178	5.769	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	13297910	UWZSYEIMJPOUJV-MUUNZHRXSA-N	529.706	6.475	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)c3ccc(C(C)C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC	35193654	VQJMPMJREAHXMF-NDEPHWFRSA-N	530.690	6.508	50	40	KKGB	
C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(Cl)(Cl)[C@H]5C[C@@H](Cl)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O	70688053	SJFDHZXYUNDKRM-RHDCIPETSA-N	502.998	6.738	50	40	KKGB	biogenic
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)c1cc(-c2ccccc2O)nc2ccccc12	97965612	RAEQBOSDBSKKEY-XZYGTATASA-N	558.041	6.937	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(Cl)cc1	100120148	UUKYPCAJDNALCR-FADJLKOXSA-N	539.123	6.966	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccccc2C)cc1	100123214	SASGYMKAXWARBZ-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100128508	KHJILVCXECDNFY-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Br)cc1	100336424	INOKKJUECWWERO-ODLFYWEKSA-N	603.254	6.495	50	40	KKGB	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)c1	101173388	OIUOTYXQBAHVAG-PTGBLXJZSA-N	536.661	5.521	50	40	KKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)c1	102523881	IFDNJCUGTIPSBF-HKBQPEDESA-N	549.696	7.524	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(S[C@@H](C(=O)c2ccccc2)C(C)C)=C(C#N)[C@@H]1c1ccccc1OC	102579036	APSOVDLAHNGTRJ-JTSJOTPCSA-N	552.696	6.732	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(CSc2nc3ccccc3s2)cs1	102941764	WFJMZSYYBHLTRQ-RCCKNPSSSA-N	533.707	7.962	50	40	KKGB	
CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527927	ARAOPWJLFXAZTH-ZCFIWIBFSA-N	580.113	7.744	50	40	KKGB	
COc1ccc(/N=N\C(=N/NC(=O)c2cc(Br)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2OC)cc1	104316838	ABCAFUPWMLRGJX-MCJNZCSVSA-N	604.465	5.681	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1	109661781	XEZZXVMJOOGDQX-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341828	ARFZJASQOZWUOK-IBGZPJMESA-N	812.471	13.451	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1C1N(Cc2ccc(N(CCCl)CCCl)cc2Cl)CCCN1Cc1ccc(N(CCCl)CCCl)cc1Cl	150373355	HRYWINDGAXXNHM-UHFFFAOYSA-N	845.442	10.561	50	40	KKGB	
C[Si](C)(CCCNC(=O)Nc1cccc(Cl)c1)O[Si](C)(C)CCCNC(=O)Nc1cccc(Cl)c1	195814933	RFELLYOPJZITMJ-UHFFFAOYSA-N	555.655	7.144	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408540039	MDBRLHYOSFGDCA-RGXNXFOYSA-N	510.590	5.555	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552044	NOJSPCFMPZTCNC-CXUHLZMHSA-N	542.806	7.268	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552075	NYZIJNFMJHVDHW-YVLHZVERSA-N	574.848	6.617	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408568513	KBNNEUPQBGRKOZ-UXHLAJHPSA-N	514.672	6.427	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	408606498	MDCZXFNGSJSQIW-OAHLLOKOSA-N	522.791	5.861	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1Cl	408649541	LEJRHCDAFLOKGT-IGQFXSRTSA-N	663.577	5.665	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408678401	YLYXQOMPXIIFDK-KEIPNQJHSA-N	517.633	5.909	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1Br	408741907	MDPAMNZRZFTWOF-KEIPNQJHSA-N	580.482	7.355	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c1	408746881	XEUJRKBZCXSBGB-NVMNQCDNSA-N	648.251	6.485	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408747589	PYWDHPYCQUYOLP-ATZGPIRCSA-N	614.323	6.730	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408747655	RBNZPROWTZJIPN-KQWNVCNZSA-N	560.879	7.635	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408748091	YHBFQMZOSTZNKN-ZXSNDDASSA-N	565.467	6.568	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cc(C(C)(C)C)c1O	408760765	FQFMDTHVQOKGQC-ZCTHSVRISA-N	581.691	5.746	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)ccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1O	408761159	CMJWEZNNCMZXPM-KCSSXMTESA-N	660.587	6.509	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(I)cc1	408766426	QKMKRDYHOSLXLM-PDGQHHTCSA-N	559.201	6.178	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)cc1	408773332	KCDLHZGFYCQJSJ-KQWNVCNZSA-N	627.910	6.178	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408776257	XNJAZXPFFOXHEV-BKUYFWCQSA-N	559.376	7.530	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408791616	ZQGJNXCLLKMWCV-VIZOYTHASA-N	597.090	7.349	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1C	408793972	HLQCTNUZWBBJFY-VXLYETTFSA-N	632.252	6.703	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccccc1Cl	408794837	KEZZQRDNFXFVJH-LICLKQGHSA-N	559.747	5.977	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408795788	NBZQQPXMZWBJJO-OEAKJJBVSA-N	590.315	8.052	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1c(C)ccc2ccccc12	408798375	HZDQQXFJFFGLLB-FYJGNVAPSA-N	608.863	7.540	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2ccc(C)c(C)c2)c1	408801983	XMQWFWSDBQIBIA-MTDXEUNCSA-N	518.613	7.016	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1Br	408803710	SKGBFOWOACNIIJ-NTUHNPAUSA-N	526.612	5.984	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408823685	FVCQENNRILIBDZ-DEDYPNTBSA-N	643.275	6.199	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408824520	QSWDGMDYFRHTMU-JAIQZWGSSA-N	522.355	5.168	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408827073	KDYYELXJBZEBBD-XICOUIIWSA-N	674.801	5.222	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408838798	INDJEYGWGRGOOQ-OAQMXIGCSA-N	767.510	9.819	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3cccc(C)c3)cc2)cc1	408840350	AUUSDUDBYDBHGC-KCSSXMTESA-N	570.443	6.301	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)o2)cc1	408844533	UCQJYWQOGBHPQU-UXHLAJHPSA-N	566.035	5.122	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408845421	WNAASZTVLNWTQZ-RVDKCFQWSA-N	702.778	8.356	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)OC	408849358	XYMIQLXKBXRSEX-IBBHUPRXSA-N	623.529	6.339	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3Cl)c(OCC)c2)cc1	408866175	GCGUKVVNEPPDGT-DEDYPNTBSA-N	586.857	6.878	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Br)c2)cc1	408867631	KVZXNCWKBAFCRQ-FYJGNVAPSA-N	507.359	5.901	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(Cc2cccc(F)c2)c(OC)c1	408868382	PXWMMVAAQSALIN-RGVLZGJSSA-N	540.376	6.138	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1Cc1ccccc1Br	408868766	OMFHHVZQNJAEEV-FYJGNVAPSA-N	523.858	7.200	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1	408871007	WXLGKCJVSPHUTE-MXAYSNPKSA-N	518.205	5.563	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c([N+](=O)[O-])c1	408879538	GVNKFWQJJVZTDP-RQZCQDPDSA-N	605.670	7.206	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)c1OCc1ccc(Cl)c(Cl)c1	408883754	URGGOOOUTSYDQK-LDADJPATSA-N	501.797	7.089	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408892173	BPSSEFUNIKLBCS-LZYBPNLTSA-N	591.643	6.898	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OC(=O)c1ccccc1	408897007	PQZGGXVBQQBJJO-VULFUBBASA-N	546.215	5.593	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc1Br	408906131	HMMCWFWBGOMDMI-AFUMVMLFSA-N	524.253	5.566	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1cccc(C)c1	408922884	HISVHWMYROOHNC-RGVLZGJSSA-N	566.408	6.198	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccccc2F)cc1Br	408953853	YKFYQHXVBYDEFQ-GDLZYMKVSA-N	685.572	5.061	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408963739	OWAKAARZFFRWMQ-KKMKTNMSSA-N	514.372	5.824	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2cccc(F)c2)c(OCC)c1)c1ccccc1	408977469	DPBCJTBQZJKADO-YKDKEXQMSA-N	507.562	5.131	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1Cl	408982458	HBXMHHGXWTVSBE-IUXPMGMMSA-N	642.118	7.794	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)C(=O)Nc1ccccc1	408991397	NTMLTFXHPGMUHZ-SAPNQHFASA-N	548.605	6.387	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccccc1	408997913	PDRHNJFGKHQMHD-QXUDOOCXSA-N	597.624	5.347	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc2)cc1	409000804	YFWKGJXPOVGTPX-RLBGMPNZSA-N	549.737	5.856	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccccc1C	409015542	RLANSQHARHTFET-UUFNBZTESA-N	648.763	8.300	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(I)cc(I)cc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409045852	IYKCNXMNRCQSKF-ODNPBWNPSA-N	781.388	7.631	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1C	409056253	LHLWPEHBOCAONP-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)Cc2c(F)cccc2Cl)cc1	409058965	PWRXLKXCCXEANS-KVSWJAHQSA-N	542.847	5.436	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409093441	ZFTFCORXJOFLRO-LFIBNONCSA-N	531.874	7.004	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	409141870	CBUHPCTVSPVDMK-HPYSVAQWSA-N	624.922	5.998	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	409183397	BVBCXODIZGZWFX-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
O=C(COc1cccc2ccccc12)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409187841	UYIKENXXBVZZPU-FDVSRXAVSA-N	568.265	6.473	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc5ccccc45)c(I)c3)cc2c1	409188384	YUUMHWPUQLAMAQ-ZMGVVAQMSA-N	669.313	7.695	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]23)c1	409218474	IZQSJXPXKRZJQK-GLZHJCJHSA-N	577.640	5.815	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409255462	KQPTZIPFJWYORS-WBIBEUCMSA-N	640.165	7.696	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)ccc1OCc1ccccc1	409304475	RGBBWSIUQRZWGR-HQDYHJHZSA-N	563.025	6.808	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1cccc(Br)c1	409310192	RWNMVABCVPFNKB-ZWKOTPCHSA-N	526.239	5.427	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1OC	409313022	AQGWVCVBCJSWTK-NUJZUDFISA-N	592.259	6.267	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1Br	409323316	NLTILNLDWGLMBR-CFRMEGHHSA-N	526.225	5.338	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1OCC	409326466	KLNFRLADQZSBDA-UHBFCERESA-N	515.437	6.832	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Br)c1OCc1ccc(Cl)cc1	409359276	BDJSFOKJZDRZHN-MUXKCCDJSA-N	545.817	5.154	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1F	409371668	JQJWIOGVOHDLSF-CHHVJCJISA-N	511.605	8.192	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(I)c1OCc1ccc(Cl)cc1Cl	409382184	PSORYSFUMVNMML-VFLNYLIXSA-N	604.316	5.948	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)c1	409396843	BVNHSJFVHSMNMW-UHFFFAOYSA-N	557.528	6.845	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)c1	409397033	FHBXMQASLMHFOX-UHFFFAOYSA-N	599.428	6.731	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3ccc([N+](=O)[O-])cc3)o2)cc1	409405665	UKPCEKKRZBBDSR-OHUYPAJKSA-N	609.595	6.425	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Cl)cc3Cl)o2)cc1	409408623	KFNMQDISJQAWPE-QMRORBIVSA-N	647.471	7.464	50	40	KKGB	
OCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	642882932	UNTAFUKQBXHXJN-RXMQYKEDSA-N	632.092	6.962	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1	1833304	LTOBXUYKPMCYQW-LQKURTRISA-N	506.031	5.537	50	40	KKGB	
C/C(=N\NC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(-c2ccccc2)cc1	8386838	MTMITJXKNVUTEY-WGOQTCKBSA-N	516.233	6.106	50	40	KKGB	
COc1c(I)cc(I)cc1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1	8402857	FWZUNSQMLOGNRV-IYAOEYEUSA-N	622.244	5.361	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	59297215	GXGBXSOERHSFBW-XDHOZWIPSA-N	504.815	6.960	50	40	KKGB	
CCCCN(CCCC)c1ccc(/C=c2/sc(=C(C#N)C#N)nc2-c2ccc(OC[C@@H](O)CCl)cc2)cc1	59608334	FWIPUONHRQPAGE-CPVAOEHFSA-N	549.140	5.222	50	40	KKGB	
O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	97949852	ZWOIEMQQRPMRSE-UHFFFAOYSA-N	610.085	6.263	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccccc3)=C(C#N)[C@@H]2c2ccco2)cc1	97952119	LMCYGUHOVSXXOH-AREMUKBSSA-N	527.602	5.407	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	97957898	JZWZZGQITJHNEZ-MBTHVWNTSA-N	526.449	5.882	50	40	KKGB	
CC(C)(C)C(=O)NC(C#N)=C(Sc1ccc(Br)cc1)Sc1ccc(Br)cc1	98047985	BWDWWXMHOVFQJR-UHFFFAOYSA-N	526.319	6.951	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(/N=C/N(Cc3ccccc3)Cc3ccccc3)Oc3c2ccc2ccccc32)cc1	101108379	KXFORSBNWKDSPQ-GDRYVCLMSA-N	535.647	7.839	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(O)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	101408941	KRHQPWJGMJEKRA-ZCTHSVRISA-N	559.692	5.587	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	102401794	JSICJQZJOATJDM-RUZDIDTESA-N	604.157	5.740	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	102808918	FEBIRYXZMDWHRF-AREMUKBSSA-N	549.483	6.700	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	103572616	PDCDZCCIIILGSC-QRVIBDJDSA-N	525.406	5.647	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Br)cc1	103783345	OMFSUWBEWGGQTL-UVHMKAGCSA-N	581.692	6.998	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)cc1	103889688	RJXHDKLYLBBGOV-WQRHYEAKSA-N	563.222	7.031	50	40	KKGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	150386079	SUWJJSZCOSINTM-UHIZKJEFSA-N	647.968	6.337	50	40	KKGB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S	150564861	UCVUVHDSLKLSID-LRVMPXQBSA-N	651.644	5.024	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408537447	FFTCWVCYYNWLJQ-OVVQPSECSA-N	534.612	6.798	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1	408538952	RYRKBIWARPUYLO-MYYYXRDXSA-N	647.953	8.213	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl	408539491	WPLXOWIKRMBZOJ-GXBUFBABSA-N	595.596	9.364	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc2ccccc2c1	408547925	AVAFRFSXXAWVIV-JJFYIABZSA-N	509.230	8.552	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551864	GQTSTEIGRWOFLL-YBFXNURJSA-N	562.445	6.084	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccc(F)cc1	408553873	QDHALAMDSCHLMP-YBFXNURJSA-N	580.479	6.924	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)c1ccc(Br)cc1	408579370	GIUGSIFYKVDRDE-RQZCQDPDSA-N	566.062	7.756	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2ccc(Br)cc2)c1	408579855	KQOVSBMWKKBCCF-XDHOZWIPSA-N	526.228	6.602	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OCc1ccc(Br)cc1	408601594	BMWBAIAOKYWYEZ-KRWDZBQOSA-N	544.833	5.186	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5C[C@H](Br)[C@H](Br)C[C@H]5C4=O)c(C)c3)CC2=O)cc1Cl	408639302	FOPACFPRMSSAOL-WEUUYRGXSA-N	652.767	5.342	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408639356	FPNQAYJXFYZRCV-ZYGGUILKSA-N	651.566	5.809	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408641526	COGWKLUSDURXKG-IMJYCFMASA-N	566.268	5.692	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(Br)cc1Cl	408687446	OUQWLHSKBKQWQR-ZYGGUILKSA-N	588.669	5.012	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408688988	XJAIRMHULBEGGC-MHORFTMASA-N	623.556	6.126	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408730616	SCVCAUUVWUDOGM-WSDLNYQXSA-N	653.791	9.459	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(I)cc1	408744862	HVFXLOPUVKXNKK-YVLHZVERSA-N	670.672	6.682	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2I)cc1	408745473	MOQXCWKQHZTAGI-ZDLGFXPLSA-N	654.673	6.982	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408745970	PQHGZJWJXWVPAD-XKZIYDEJSA-N	547.836	7.389	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408746778	HATOWVAIOVASFB-SXGWCWSVSA-N	547.192	6.789	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2Br)cc1	408749521	QFHZOPXUEJVLPV-WPWMEQJKSA-N	538.423	5.080	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1)Nc1ccc(Cl)c(Cl)c1	408756095	XMRRYYJZPVURKD-RPPGKUMJSA-N	521.198	5.537	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OCc1cccc2ccccc12	408764395	RPNKSJUMTKLUKA-VULFUBBASA-N	526.330	5.389	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c2C)ccc1I	408771430	GIWKTIRMELHHFN-PDGQHHTCSA-N	515.782	6.206	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408780615	GJCZSTWPIXBJSQ-JJKYIXSRSA-N	505.684	5.645	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(CCSc2ccc(Cl)cc2)c2ccccc12	408782584	KQWLGVUEZDSWMT-CYVLTUHYSA-N	506.458	7.595	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	408788813	HTXSEYCTNKDOQR-GRSHGNNSSA-N	560.275	7.668	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3F)cc2Br)cc1	408788841	MKBROHUKSYWOEN-UDWIEESQSA-N	509.375	6.284	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1C#N	408789140	OEQPDYWPDFXGKF-CVKSISIWSA-N	550.014	6.924	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408791871	DOCLXYPSZXFMHH-VCHYOVAHSA-N	696.133	6.727	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(C(=O)O)cc1	408792189	JGMYXXMRGXKXJS-SRZZPIQSSA-N	535.394	5.897	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(F)cc1	408793842	QHKSATKIRKTFFB-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408793935	HJVQCJQFEAJIBH-LZYBPNLTSA-N	777.094	6.533	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(I)cc1	408794786	SXXHVXPBOWKKEO-YBFXNURJSA-N	603.254	6.495	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408794810	SZXOIFKTJMWOGG-LDADJPATSA-N	525.302	5.324	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408797553	RVOBVLJHOZCVIG-WSDLNYQXSA-N	549.421	6.288	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1cccc(Cl)c1	408806530	JOHWRXFTCGQGGV-ZVHZXABRSA-N	603.900	7.815	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(I)c(O)c(I)c1	408816989	VMPMJYOXDLTNDP-VZUCSPMQSA-N	564.548	5.109	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408820080	UZFSNMCMOPBAHM-FXMZOFOKSA-N	732.992	7.668	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408838882	JRRZWFREANAUFR-PMCRKUBMSA-N	836.798	10.837	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccccc1Cl	408840886	CUNQEIIMRAUMKX-IZYHBKOJSA-N	723.036	8.862	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408842260	JSBQOYUTYRVLSS-KVAAJVFYSA-N	672.561	7.884	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1	408852498	GNLCASHHDQISMU-PPDIBHTLSA-N	572.209	5.999	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1	408858115	MGWOJWMEEFNBET-IURWMYGYSA-N	648.885	5.625	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cc(Cl)cc(Cl)c2)cc1	408858655	JXNUVAXYHCZVJH-ROPCREHHSA-N	638.404	7.362	50	40	KKGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408863960	RHHDGTSKYOTRRI-QNKGDIEWSA-N	594.649	5.673	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(C)cc2)cc1	408864212	XKULEOLJNNRSCR-GOJREDGKSA-N	607.732	6.472	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408866243	GISOEYRJUSBWSQ-RQRWGXNHSA-N	689.112	6.039	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OCc1c(Cl)cccc1Cl	408878457	BKVIJQCYTFPRJZ-GZTJUZNOSA-N	542.375	6.434	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408883244	SEZPGHTUAXLFMQ-RWPZCVJISA-N	534.366	5.862	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1C	408889310	CIAAHTDLFJUBBZ-XODNFHPESA-N	536.253	6.806	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc(C(C)(C)C)c1O	408890625	WRPHLMVDZRFQLB-FABQOPTDSA-N	644.448	8.174	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccccc1F	408904753	ODPSHYLHHKTFHY-PPDIBHTLSA-N	612.237	6.244	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1cccc(C)c1	408921592	BGIZKALKMWBTAX-SRZZPIQSSA-N	550.409	6.498	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2sc3c(c2C(=O)OCC)CCCC3)c1C	408949703	RKYSDIQZCMNPCU-PMERELPUSA-N	677.849	5.096	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccccc1F	408963706	AJUZUQLWAWKOSB-VFLNYLIXSA-N	561.326	5.183	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c(F)c1	408967845	SJMOCLRPVCFBDA-IPBVOBEMSA-N	521.173	6.110	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc2ccccc12	408970752	DESYMVOYEFRVSJ-FDBYXUEYSA-N	534.443	5.792	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)c(I)c1	408984144	PUYIWWCBXYNGMS-HMAPJEAMSA-N	578.837	7.531	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc2c(c1)OCO2	408993979	XUDFSKVXKPUFPR-NHDPSOOVSA-N	565.851	6.993	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	409020150	ZOTFNVDWZXGNPA-JQRSWJALSA-N	595.321	6.464	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1cccc2ccccc12	409021385	FBUZRQNLNKLIAM-ZMGVVAQMSA-N	577.862	7.744	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1ccc(C)cc1	409021596	PELKLUWETOENMY-ACXHZZMFSA-N	503.986	5.703	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccccc1F	409036498	RNWXGSCXZFVROE-HQDYHJHZSA-N	631.445	6.997	50	40	KKGB	
COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(OC)c(O)c(SC#N)c2)C2=C1CC(C)(C)CC2=O	409052900	BIDKNXOJAFPBLR-UHFFFAOYSA-N	524.683	5.696	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409062032	MEEACEDVGBDEQP-CCVNUDIWSA-N	554.883	5.387	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(F)cc1	409067587	FSHWMBOPYLOFAC-HYARGMPZSA-N	501.514	5.986	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409152466	JBDGHDDQWYUPCG-VVEOGCPPSA-N	577.852	5.460	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4cccc(C(=O)O)c4)cc3Br)cc2c1	409187104	MCEIPRYJWZDVNA-MNDYBZJGSA-N	581.419	6.034	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1	409225133	OTZIZZGVXNBYGG-NVJOKUIPSA-N	525.708	6.104	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409245808	ZHJVPNOGFHOHKD-QRAWFLTRSA-N	504.970	5.800	50	40	KKGB	
NC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	409249416	IBXVWTKNLUTWQZ-KNBZMSCYSA-N	663.779	6.360	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)c1	409257357	SFUDJLGQUVHCPT-NVJOKUIPSA-N	609.702	5.963	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2C)c1	409261229	BCOLLUFGQGLFNE-QDTIIGTASA-N	589.284	5.618	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409266143	JYMWKVJWAKTKFL-BKUYFWCQSA-N	578.463	6.036	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br)Nc1ccc(Cl)cc1	409266715	XWFGZZQVNVNIBC-ZRGSRPPYSA-N	565.649	5.646	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1OC	409310112	QNRDZDUBXSAFJD-MBTHVWNTSA-N	529.818	6.019	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC	409317779	VQCHCYVLYVPYKO-VYYCAZPPSA-N	558.931	5.519	50	40	KKGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3Br)=C2C#N)cc1	409317979	TVWIMDDHYPSTEF-MRXNPFEDSA-N	502.459	5.190	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1OCC	409335867	PPGODGPOVPCSGO-MNDYBZJGSA-N	606.286	6.657	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409362589	IKDKIMKPXWPHOU-YVLHZVERSA-N	583.370	5.458	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)ccc1OCc1ccc(Br)cc1	409365453	ZLLVKRPUXTYRCL-UVHMKAGCSA-N	547.247	5.361	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCc1cccc2ccccc12	409375461	LBGJCRCDAFYVBM-WSDLNYQXSA-N	516.395	6.251	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1F	409383186	SARQLOSHJMLNNJ-YBFXNURJSA-N	507.949	5.668	50	40	KKGB	
O=C(Cn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21)Nc1ccc(F)cc1	409386341	PRTVFEDHAUBXLL-XODNFHPESA-N	515.526	5.306	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409395373	MULMVYKRHYYCSF-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398019	QCVAYEKHWTWRLB-UHFFFAOYSA-N	586.475	7.832	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Br)cccc4c3-c3ccccc3Cl)cc2OC)cc1	409399225	YMDBQTNPKOBSJO-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1[N+](=O)[O-]	409399977	AQFUILWWPKMIKP-KMUKQRDJSA-N	621.650	6.264	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)o2)cc1	409400088	BIANWEPVOIZHFP-RODHXAHZSA-N	667.387	8.678	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCC(=O)OC(C)C)o2)cc1	409403407	MPTORPRUHUZSBK-ZMGVVAQMSA-N	608.489	6.123	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)o2)cc1	409403551	NIVMXENNKDWELH-VHFSBPNMSA-N	675.967	7.463	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2ccc(C(=O)OCC)cc2)c2ccccc12	1529549372	XIWZFWBKDHTAET-JGOCILMOSA-N	667.788	5.060	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccco1	710587	RXKAELLNJCBCMH-AREMUKBSSA-N	549.052	5.957	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C3=C(CCCC3=O)N2)c(OC)cc1Cl	2310202	COMJEYHLJWIJPW-HSZRJFAPSA-N	514.003	5.060	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc(C(C)(C)C)c1O	2697754	JNQXCWRAKMODLK-KCSSXMTESA-N	542.705	5.929	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1	3086876	OAHBJAIAXTZEEL-CQFWSYKGSA-N	528.616	5.117	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2)cc1C	3116249	DKPPBGKVXQTLQS-UVHMKAGCSA-N	560.242	5.577	50	40	KKGB	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C(C#N)=C\c3ccccc3)ccc2OC)cc1Br	5940553	CALVTILDSNDTAR-AQTBWJFISA-N	556.438	5.203	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C	8812798	BVPXFYPXLRPRNC-BHGWPJFGSA-N	505.756	5.191	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(NC(C)=O)cc2)=C(C#N)[C@@H]1c1ccco1	29747692	DYLKUSGRTIVICO-RUZDIDTESA-N	542.617	5.006	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1	58853677	TZTCQRSGAXBVKB-RDRPBHBLSA-N	521.042	5.337	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	97950468	VCYVJSFLOHURPI-MUUNZHRXSA-N	543.092	6.663	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1	97959624	CBKAHNRFZKQLSA-NDZAJKAJSA-N	529.390	5.055	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccc(C(C)(C)C)cc1	97980780	USBXANYAQKCORS-JRZNSJKLSA-N	643.813	8.497	50	40	KKGB	
O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	98045824	DYESYRMMTFKBAQ-WCMJOSRZSA-N	634.503	5.585	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1C	100124364	LVGMQEKLXKTHKE-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126368	FBVHXATYSZTTSC-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
CCCCOc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1	100179466	KMWDMCJYZFVDNR-VKAVYKQESA-N	522.424	6.834	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1nc3c(s1)CCCC3)[C@@H]2Br	100867866	CBGCKYQNLWIFBQ-NVGVWMPQSA-N	541.147	5.646	50	40	KKGB	
N#C/C(C(=O)Nc1cccc(Cl)c1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	100874732	ZIKFWPOTFPUJON-IVYNLYIOSA-N	528.848	6.712	50	40	KKGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1	101395122	CLALXCXUSFKVNT-QHCPKHFHSA-N	530.989	6.087	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	101467893	NBLPBJBLUXASAB-MUFRIFMGSA-N	529.509	5.409	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2nccs2)N1	102809009	CLVAYVZJCZUJKE-JOCHJYFZSA-N	522.055	5.503	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(I)cc1	103890136	DTLYZOUPLWYFGB-PDGQHHTCSA-N	593.248	7.121	50	40	KKGB	
COc1cccc(Pc2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1-c1c(OC)cccc1Pc1cc(C(C)(C)C)cc(C(C)(C)C)c1	105467716	QUUOPXNGEBUNNQ-UHFFFAOYSA-N	654.856	9.819	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(I)c1OCc1ccc(Br)cc1	107986850	WUCQWUGGUKTNNL-HXUWFJFHSA-N	607.246	5.281	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C/c1ccccc1O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118917004	BXTRCTCQZGWSNF-KKEGXKERSA-N	510.719	5.249	50	40	KKGB	
CC[C@@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(OC)cc3)s2)cc1	150390715	NQLNPVNPZLZPIF-ZBNAGYFTSA-N	666.598	6.226	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC	162483086	DPWZOUZALHEFDB-WCMJOSRZSA-N	682.977	5.047	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795344	NHDDLXQHNXBKIQ-UWVGGRQHSA-N	830.114	10.651	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(=O)(=O)c3ccccc3)cc2)cc1	197824675	WREBCWWVKKPTTG-IZYHBKOJSA-N	675.085	5.731	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	229851124	WBPSLDSHGDXHBE-IRFILORWSA-N	525.970	6.240	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2OC)ccc1OCc1ccccc1	408540392	REKOKUIPMRMXQQ-AFUMVMLFSA-N	601.453	7.597	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551829	MSKZDYBXWKLYSR-VCHYOVAHSA-N	501.797	7.127	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552385	SNGRMUOAJRSVNT-DJKKODMXSA-N	622.342	7.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408569289	MVIDYFYCQPZHQP-IBBHUPRXSA-N	648.576	6.012	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCc1ccccc1)Sc1nc2ccccc2[nH]1	408599454	VBGKROFIFBBSQZ-WQRHYEAKSA-N	541.268	7.324	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(F)cccc3Cl)c(Br)c2)cc1C	408612729	YNJBXEJFQXESQV-KVSWJAHQSA-N	532.797	5.526	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1	408637481	KYSLERNGEBWSSW-RBISFHTESA-N	562.449	7.062	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccc(N2CCCC2)cc1	408677199	PWCAWBNOJGGVGD-RWPZCVJISA-N	513.381	5.845	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408687877	VHUBXXQBHHEXFT-PJBUMPDVSA-N	601.122	5.329	50	40	KKGB	
O=C(CSc1nnnn1-c1ccccc1)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408735790	WUSVYCCASJUNNM-FXMZOFOKSA-N	582.300	6.097	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)cc1	408742881	CLLOXHFMAHPFKM-MTJSOVHGSA-N	532.394	5.853	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)c1	408745340	LWZOPMDVEDGXKB-JCMHNJIXSA-N	567.558	6.647	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OC)c1OCc1ccc(Br)cc1	408746901	HLAYAFDFPKLZSA-KEIPNQJHSA-N	585.498	6.151	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408747057	YQWXVXMNBNHUJY-PXNMLYILSA-N	522.215	7.433	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)ccc1I	408747557	PMSWSAKTKYOZDT-LUOAPIJWSA-N	573.189	6.089	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408747687	ROQRSBBTYITLNP-KYHGBAKBSA-N	539.846	6.612	50	40	KKGB	
CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1	408757835	CXGISKJQRREKAQ-NBVRZTHBSA-N	510.377	5.955	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	408774648	WUFFBAYLMXVJSD-KCSSXMTESA-N	560.075	6.422	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408780396	BWRRIDZHMBGIRT-OKCVXOCRSA-N	602.860	6.165	50	40	KKGB	
O=C(NCc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408783103	NDWKSLXVWJKRDX-VTNSRFBWSA-N	549.414	5.124	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408795808	NDUOMRHNDADXGD-KOEQRZSOSA-N	545.035	6.769	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1	408798986	XOIAZGGTEWIJDE-VCHYOVAHSA-N	501.797	7.170	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1	408817000	VNGSHLQVVSEZTD-VCHYOVAHSA-N	515.780	6.558	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408819701	SLMHTSOZAUUPLU-JRZNRNKLSA-N	585.737	6.495	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(OC)cc1Cl	408825249	AYMRYZDUHPPKEZ-DEDYPNTBSA-N	533.411	7.288	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408825457	JYXINYBIIAPWCP-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OCc3cccc(C)c3)cc2)cc1	408828139	LQBUVRUDROKWCS-WPWMEQJKSA-N	567.483	7.770	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OCc2ccc(Cl)cc2Cl)c1	408831182	OWJAYZAJSYKCGY-MFKUBSTISA-N	573.476	8.014	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C	408835558	NVBUXSMFCONEFZ-WGOQTCKBSA-N	557.477	8.314	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccccc1	408835840	ZLMGPSCVWRGVCZ-WPWMEQJKSA-N	644.509	7.702	50	40	KKGB	
O=C(O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408838190	CPWXBEWUPKALNM-VPUKRXIYSA-N	711.763	6.802	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1cccc(C)c1	408839704	VLHDJAYQCUEXQH-ALQBTCKLSA-N	562.695	7.522	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2cccc(C(F)(F)F)c2)cc1	408840382	FPNNHEOBWHVLLV-ALQBTCKLSA-N	581.616	5.938	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840478	BMOUKQXJJWEAIG-PTEHHBOZSA-N	625.940	8.996	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1ccc(Cl)cc1Cl	408842527	APSNJVFTIQTPRD-AWQFTUOYSA-N	620.327	6.974	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(I)cc5)c(Br)c4)cc3)cs2)cc1	408846782	RHMYNBJJOWVOMC-KVAAJVFYSA-N	723.434	8.572	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1	408847671	QZVYWHQDFFSXPO-MZJWZYIUSA-N	517.807	5.609	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408861572	DAEOOXOXLZEKGR-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)c1	408863419	OAEIGTPQNLPPRO-DPNNOFEESA-N	672.985	6.044	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408865442	CKYUHFFOQBAHSY-KIBLKLHPSA-N	548.364	5.366	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)cc2)CC1	408868358	OEHXHNSHPYWNFB-FADJLKOXSA-N	549.719	5.806	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1Cc1ccccc1Br	408876473	LMBJTHGURBXNFR-LZYBPNLTSA-N	595.118	7.663	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1Br	408878964	DKCNALHVCRKOSN-GIJQJNRQSA-N	590.699	7.307	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)cc2OC)cc1	408878987	DOUBAEYWTRDRDK-QGOAFFKASA-N	554.340	5.073	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)c(OC)c1	408882831	OHXIWASENHHXBV-DHRITJCHSA-N	557.444	6.422	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1Cc1cccc(F)c1	408885386	ZAUSACOUCCUNOG-VCHYOVAHSA-N	558.245	6.886	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cccc(I)c1	408885593	CMNAJIOXULBKKW-KBKYJPHKSA-N	742.520	6.497	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1F)C(O)(c1ccccc1)c1ccccc1	408909606	HLGFSJLYIGSWBX-FDAWAROLSA-N	533.397	5.553	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924968	PUIXHWROMVBVCT-KGENOOAVSA-N	620.481	5.883	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	408942611	GGXBJMTXVKJZMD-WJOKGBTCSA-N	674.621	5.646	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)c(Br)c1	408948637	PQQCTEOVHBPTQB-MUUNZHRXSA-N	672.001	5.567	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OC(C)C	408968720	BTPZWXOASNOXGI-YNOAKECUSA-N	572.489	5.434	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1Cl	408982399	GUJZJQIGTVRRPG-JJFYIABZSA-N	704.733	8.136	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408992329	ADANBINFNVXABF-QFDQHJFZSA-N	644.191	7.285	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	409001910	XUHVYVKDEMMOSW-WCMJOSRZSA-N	522.432	6.509	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccc(F)cc1	409012125	HQWDLSWWNPVLEK-ASPXWBLJSA-N	588.596	5.248	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cc2cc(Cl)ccc2o1	409024700	UUSMUSJOTIXGJZ-AQLQTECXSA-N	706.705	7.792	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2cccc(C)c2C)cc1	409026150	HLEVNBCEYNKPIZ-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl	409031632	JULWUHLEXKTRKB-QJOVZPHJSA-N	566.488	8.280	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1	409047614	PBOMIARVHSXNRO-LZYBPNLTSA-N	625.542	7.752	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	409055258	YCUCOXWDEQMVAA-IPBVOBEMSA-N	556.671	7.069	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409074345	PWYNMZBGRJMMDH-MHWRWJLKSA-N	610.711	6.487	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1	409081133	GIIGKNJDMGYOCV-OVCLIPMQSA-N	580.302	7.045	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409121075	XUHDTPPVUZTWEJ-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
Cc1ccc(COc2c(Br)cc([C@@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2Br)cc1	409137972	XNPOXYUTYUIYFK-QFIPXVFZSA-N	542.227	6.023	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccc(Cl)cc1Cl	409149055	WOKHVUFAYYKFDO-HSZRJFAPSA-N	548.220	6.267	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1	409159035	UTZQEEPSWAZJAW-IBBHUPRXSA-N	595.494	5.188	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1cccc2ccccc12	409179350	RKXRYTQWYDGBTR-QWUXBPGCSA-N	597.674	6.960	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1	409188533	ZYUVRDABAYPREX-PDGQHHTCSA-N	542.227	6.345	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409254484	ZJFLZWFNMJEYOZ-UDWIEESQSA-N	583.382	5.988	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(C)c(C)c5)c(Cl)c4)cc3)cs2)cc1	409256216	KNTGVRUEFRRHFS-VHFSBPNMSA-N	624.166	7.914	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409256947	OKIOJCJAAJNIOH-QDTIIGTASA-N	545.379	5.390	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409261715	DACRFPSHWGPLGO-CIAFOILYSA-N	503.986	5.837	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409265045	MJOFSOJBNVSEDX-UDWIEESQSA-N	581.410	5.480	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC)c(OCC)c2)ccc1OCc1ccccc1	409309410	GTLKOSBOKJXOMG-RHANQZHGSA-N	588.442	5.830	50	40	KKGB	
Cc1cc(Br)c(NC(=O)COc2ccc(/C=C(/C#N)c3cccc4ccccc34)cc2)cc1C	409313559	CKARCNUZHGVXHC-KQWNVCNZSA-N	511.419	7.301	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)ccc1OCc1ccccc1	409314117	KGSJTWWEBSOKOA-KYHGBAKBSA-N	535.427	6.924	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)cc1OC	409325531	ZSLSOJRFMWOHEV-MBTHVWNTSA-N	576.285	6.352	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)ccc1OCc1ccccc1	409327423	TTYCPHPPMJCRMH-BJUCDSOZSA-N	658.774	7.796	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(Cl)cc1	409384603	DTFKPYIMSBWERJ-MZJWZYIUSA-N	509.971	6.205	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(C)=O	409394662	DIFXVIWAHBXENL-UHFFFAOYSA-N	799.856	7.948	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(OC)cc3)c(-c3ccccc3Cl)c2c1	409396240	XGESTRDPOBNOQT-UHFFFAOYSA-N	725.821	8.404	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)c1	409397013	DZTKSHDTFKVXPG-UHFFFAOYSA-N	532.600	5.893	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397322	IQVIMVVVJZYBIZ-UHFFFAOYSA-N	511.509	5.949	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409398182	ROPODXJSFKCVCG-UHFFFAOYSA-N	562.840	7.778	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(C)cc1	409400091	BIEICAUGEIMXQU-UHFFFAOYSA-N	642.550	7.689	50	40	KKGB	
CCOc1cc(N(C)C)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409405360	SYRKQEHIKSAAHI-YKQZZPSBSA-N	500.599	5.495	50	40	KKGB	
Oc1c(P(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c([C@@H](O)c2ccccc2-c2ccccc2)ccc2ccccc12	675082999	WZGMVRFGSBNPPY-SJARJILFSA-N	636.731	9.873	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccc(Cl)cc1	1529549391	XOQDXKNQYJGWRR-JKYKOXDNSA-N	797.897	6.171	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)ccc1OCC(=O)Nc1ccccc1	873376	KKLZQZXHCTUTTG-MUUNZHRXSA-N	525.992	6.128	50	40	KKGB	
N#C/C(=C\c1ccccc1)C(=O)Oc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc2c1	1777235	OMWZZRFXFLCKOY-HAVVHWLPSA-N	553.492	7.784	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@H]1c1cccc(OCc2ccccc2)c1	1875677	XBBVNVISAZTBKB-MUUNZHRXSA-N	564.667	5.438	50	40	KKGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cccc(OC(=O)c2ccccc2Br)c1	3115389	RBOBJDVISUBORE-HNSNBQBZSA-N	570.443	5.067	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1Cl	5948544	IQEQEGISTLUUIH-OCSSWDANSA-N	552.856	6.635	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1Cl)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136376	JIMKMDDRROAWOA-FMNRLAJQSA-N	546.432	7.204	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	8842877	WVMZMMHLTDCQEI-IWIPYMOSSA-N	512.993	7.025	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1Cl)OCc1ccccc1	13381941	BWJUCTJPBRYFLD-MDUPQVTGSA-N	509.393	5.463	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccco1	19946722	IEIRYQLGAJEYDF-SANMLTNESA-N	514.607	5.303	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F	59335681	MGVZDEDSLKNFQJ-HMAPJEAMSA-N	505.387	6.750	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(F)cc2)cc1	59652448	FIYLIRJEVHCIKU-FJEPWZHXSA-N	560.434	6.047	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59856424	RNWNQMHKXYQCHP-PPOKSSTKSA-N	589.161	6.654	50	40	KKGB	
Cc1cc(C)n([C@H](CCl)CN(Cc2ncc(-c3ccccc3)o2)Cc2ncc(-c3ccccc3)o2)n1	69877801	YVPROUSVMYZKSA-XMMPIXPASA-N	502.018	6.292	50	40	KKGB	
O=C(N/N=c1\oc2cc(O)ccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1Br	97959263	XAKFNIKYWLKGMT-KRUMMXJUSA-N	552.837	6.591	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c(C)n1CCC(C)C	97980007	MSQDYZIQKPTYPM-LMVGNEGFSA-N	547.055	6.226	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C(C)=O)cc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048776	RBQLUUOPGDHMQQ-LJAQVGFWSA-N	568.655	5.310	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1Cl	100129707	JUXRCJBRPOALKT-MZFJOGFUSA-N	627.992	5.894	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C)S(=O)(=O)c1ccccc1	100220725	PRGVVNKMAKJXDY-ZCTHSVRISA-N	609.546	5.601	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	100225345	LNOOGOBLPPOJTM-ULPWCQAASA-N	542.297	6.875	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)cc1	100336482	BRJMVEBASRQSIO-ODLFYWEKSA-N	558.803	6.386	50	40	KKGB	
Cc1ccc(S(=O)(=O)/N=C2\C(Cl)=C(Cl)/C(=N/S(=O)(=O)c3ccc(C)cc3)[C@H](Cl)[C@H]2Cl)cc1	100815321	KJVBAWAOJCRNGK-QVYYHBDESA-N	554.304	5.181	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)c(OC)c1OC	100829026	OLXPKAZRNPKIHT-RWPZCVJISA-N	544.077	5.372	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1C	102607269	FWBRFLDQLLDLRV-VWLOTQADSA-N	506.071	7.234	50	40	KKGB	
CN1C(=O)/C(=C\c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCCCC3)o2)SC1=S	102618974	VOUABYNSGJBKOW-XTCLZLMSSA-N	570.700	5.115	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(SCC(=O)Nc3c(C)cccc3C)=C(C#N)[C@H]2c2ccco2)c1	102808659	NSRGUTIAHNUQEP-MHZLTWQESA-N	558.660	5.620	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	103887424	HYVYZHSKYSERIV-ZDLGFXPLSA-N	526.774	6.444	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1CNCCCNCc1ccc(N(CCCl)CCCl)cc1C	104074839	JUEQWGGPHWFDGZ-UHFFFAOYSA-N	562.457	6.141	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccccc1F	107657254	WHQXQWFJTXJENQ-YVLHZVERSA-N	500.267	5.982	50	40	KKGB	
CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341386	TZLPRVLXXZXYOP-SECBINFHSA-N	822.222	11.456	50	40	KKGB	
Fc1cccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3)CCCN2Cc2ccc(N(CCCl)CCCl)cc2)c1	150371896	YRTJHXUNICLWDO-UHFFFAOYSA-N	640.502	7.800	50	40	KKGB	
Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[nH]c2SSc2[nH]c(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1	150498532	HFZGKURBZDSUNJ-UHFFFAOYSA-N	658.852	7.549	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(-c2c(Br)cc(Br)cc2Br)o1	150503947	KFCHQVXMTNDAJF-PSLXWICFSA-N	645.145	7.443	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc(Br)cc1	408529216	IQWLMSLRABEMTH-MFOYZWKCSA-N	676.517	7.955	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408541550	DDGNDMURGKJRRU-XKZIYDEJSA-N	513.506	5.155	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(I)cc1	408541802	FWXSTBFWGHMPOR-JAIQZWGSSA-N	604.238	6.794	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1cccc(C(=O)O)c1	408544417	VXUWBRMEBSWIEG-UNOMPAQXSA-N	524.314	5.114	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408551341	CDPKUJBFSQNWEP-GZTJUZNOSA-N	589.273	6.718	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)ccc1OCc1ccccc1	408555067	VFYKDDQBXZNHFS-QMRORBIVSA-N	671.375	7.515	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	408582678	OVAYGWRHMSTDKV-FYJGNVAPSA-N	568.411	6.089	50	40	KKGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1	408608096	VBRLDMQUQRKKTN-HXUWFJFHSA-N	502.427	5.507	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408608358	HGOOQKHLVNAXST-DXRBVMPTSA-N	514.409	5.299	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1cc(C(F)(F)F)ccc1Cl	408683224	HRKRJYONHNHSSU-LMSBXDPUSA-N	577.770	5.269	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@H](Br)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	408685170	QGFHOWMNMXDFDJ-VPUSJEBWSA-N	573.399	6.392	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)cc2-c2cccc3ccccc23)cc1	408724409	JVPTYIRBAXUBDP-SEBMTOOBSA-N	571.080	7.997	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408727195	YXGBQMZOUJXRSW-WQRHYEAKSA-N	556.800	6.534	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c1	408745487	SQWSAAQNXJBPSS-ZDLGFXPLSA-N	654.673	6.982	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408749403	OBTMNYMPGMOIND-VULFUBBASA-N	598.846	5.183	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Br)c1	408754153	MFAQGMYPKPJDDX-PXNMLYILSA-N	609.087	7.238	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408777391	ZSMDHVCDSXIRQT-NVMNQCDNSA-N	508.243	6.495	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	408790787	YSBMYUFRTHRXQN-CXUHLZMHSA-N	564.636	7.129	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1	408794338	ICCAIQXUZVZRBG-LPYMAVHISA-N	504.970	5.958	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c(C)c1	408796136	NIBSZOKRCNLWOT-QGMBQPNBSA-N	703.145	7.944	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1	408797664	SJWSWNLNNHHQSO-VCHYOVAHSA-N	635.227	6.104	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408798208	VFIWJWIZMOUXLD-ONNFQVAWSA-N	551.993	5.915	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(C(=O)O)cc1	408798214	VIOPBTJTVVTKHO-CIAFOILYSA-N	535.394	5.979	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(OCc2ccccc2)cc1	408821868	KZGFCAGBWWCZMN-ULJHMMPZSA-N	526.434	6.981	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc(C)cc1	408834973	VRQOCRJDBBPJDC-MFKUBSTISA-N	709.378	8.074	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1	408838113	CEENWAHXZYUDCP-FDALDRLYSA-N	602.163	9.046	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc6ccccc6c5)c(Br)c4)cc3)cs2)cc1	408839831	WQSZGSHKXVQDEL-OEPDXVHDSA-N	726.494	9.883	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)cc(Br)c4O)cc3)cs2)cc1	408840125	XTPZGJWZPYVAJM-KKMKTNMSSA-N	541.858	6.748	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408843590	MJDMHOKYMBDBFU-IZYHBKOJSA-N	676.036	9.020	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)cc3)cs2)cc1	408849638	ZQSLGUSVENHJJY-AABVJFSESA-N	815.431	8.322	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)c(OC)c1	408849641	ZRFWFJZALVGLOI-XODNFHPESA-N	528.417	6.242	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OC	408851100	IGFUDCWGHNIZEU-YKQZZPSBSA-N	532.438	6.386	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc(Br)c1OCc1ccccc1	408860428	VLAURGRDNMSQSJ-ALQBTCKLSA-N	584.514	6.359	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1	408875191	GYSXJOXHIBBJGI-YDZHTSKRSA-N	550.440	6.616	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1Cc1ccccc1Cl	408876251	OEXQBRDJVKCQQV-WOJGMQOQSA-N	528.777	6.090	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408885037	ZSEYWYRPWXUDCK-LICLKQGHSA-N	610.313	6.776	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1	408891687	BFSYYIAETQPQHD-KEIPNQJHSA-N	614.127	6.002	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(I)c1OCc1ccccc1C	408925669	SRVWJLGXKZVOTC-RGVLZGJSSA-N	613.408	6.040	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1	408950969	STQCMXOKAIOSTF-RUZDIDTESA-N	587.485	5.138	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(OCc2ccccc2)cc1	408967023	RQHCLNMVBKWUIO-OCSSWDANSA-N	508.534	6.091	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc2)cc1	408979797	OODWYUCGIPYQPV-RYBVODPGSA-N	549.096	5.616	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(Sc2ccccc2)o1	408992391	AYAFPSDTEHRRSD-JJFYIABZSA-N	510.207	5.485	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)NNC(=O)c1ccc(Cl)cc1Cl	409032020	BXYONNWXQBXYNZ-KPKJPENVSA-N	534.193	5.450	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409035244	PEUVDTWIKOEXAJ-OHUYPAJKSA-N	709.325	7.454	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccccc1F	409038545	PDZHYQJDTHUTCT-FABQOPTDSA-N	631.445	6.997	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1)c1nc2ccccc2o1	409042631	NUJDHZGCLWUQRY-CXUHLZMHSA-N	544.630	7.649	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12	409052331	CQTRJXURMCWYDG-FJEPWZHXSA-N	560.890	6.141	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409064015	BBESQZMHBDXJFU-CJLVFECKSA-N	537.037	6.089	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)c1nc2ccccc2[nH]1	409070335	FMARVQJRDNDODZ-RVDMUPIBSA-N	514.788	5.811	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)c1C	409073395	HJQCNIZUTAILIR-LICLKQGHSA-N	535.836	6.577	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1	409079856	GPXILCXUKAYWJT-AWNIVKPZSA-N	622.613	7.019	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OCC)c1	409159560	NORYCNBQRXKIGE-XAZZYMPDSA-N	699.329	5.502	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)c(Br)c1	409169136	PZMVILWZNKMRNZ-IQFHQVDXSA-N	586.399	5.129	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409252494	SDONGYKRBLKOCH-IPBVOBEMSA-N	598.350	6.383	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl	409252719	VAYCSEMPUBIUIK-RAWMCFOBSA-N	610.646	5.555	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C	409266333	YBNGWJLKFGSXOL-YBFXNURJSA-N	527.930	6.539	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409270717	HMCAPYAJBPGMGV-BKUYFWCQSA-N	625.463	5.879	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OC	409311774	HXUAPCJYPXNUHD-YNFMAFFXSA-N	645.175	7.659	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1OC	409314267	FLCBNVIZSVTMCB-PPDIBHTLSA-N	582.676	6.225	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OC	409318381	WDBJRULWCLTSSW-UHBFCERESA-N	512.965	5.794	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409319312	DIGJRSQFJCLSKC-UXHICEINSA-N	568.866	5.155	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)ccc1OCc1ccccc1	409322131	IUJMCBQICJVUBL-FZPRHHONSA-N	638.356	7.451	50	40	KKGB	
C=CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1	409326051	GAZYFYAIXSCDDD-MBTHVWNTSA-N	574.269	6.128	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OC	409332694	LQBWJZSQSOVNRJ-WKIKZPBSSA-N	580.806	5.313	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409371691	KAUVUUNAANSTID-BOPFTXTBSA-N	513.338	6.208	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409391058	HGSQEATXRQPLGU-WCMJOSRZSA-N	624.435	5.893	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)[nH]c12	409395000	IPMSYGPWFPLWKO-UHFFFAOYSA-N	716.180	7.707	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)[nH]c12	409395131	KEBBYILGEIRMEZ-UHFFFAOYSA-N	693.823	8.867	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409396866	CDYAEQKPZWWDOC-UHFFFAOYSA-N	630.837	8.797	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccccc5C#N)cc4)c3C)o2)cc1	409401832	IHABUICJUBUOEA-PTZDRTPLSA-N	637.740	7.888	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(Br)c3)o2)cc1	409401853	IKFKLKCNUMJLJY-VHFSBPNMSA-N	675.967	7.463	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccccc3)o2)cc1	409404635	QNBCVASCUYCFAE-UCMJSZAQSA-N	519.601	6.609	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(CC(=O)O)c4ccccc34)o2)cc1	409404983	RPKOONMRSSPBPQ-ACXHZZMFSA-N	524.577	5.378	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409405694	UQVFIVISGZHMGH-AELQKBHRSA-N	584.456	6.277	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccccc4C#N)o3)o2)cc1	409409055	MIUQIUXXSKFZER-CAQPMQTCSA-N	504.546	6.162	50	40	KKGB	
CC(C)(C)c1cc(Pc2ccccc2)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(Pc3ccccc3)c1O2	604940864	ROFCHOCMFYCVSR-UHFFFAOYSA-N	538.652	7.972	50	40	KKGB	
ClCCN(CCCl)c1ccc(C2N(Cc3ccccc3)c3ccccc3N2Cc2ccccc2)cc1	1621641	WTSBAZJOSVGJGB-UHFFFAOYSA-N	516.516	7.696	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1	1790453	GZSCILAKGYFHHU-GFPZRUSRSA-N	542.875	6.389	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c1Br	1883896	PRBGQHRPMKFMTB-UHFFFAOYSA-N	588.094	5.257	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	2670903	QFTGSYJVJZPTBB-PXLXIMEGSA-N	553.485	7.045	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccc(CN(C)S(=O)(=O)c4ccc(C)cc4)cc3)c3ccccc3n2)cc1	3316413	DNWGMPIRTCLBKR-UHFFFAOYSA-N	578.694	5.414	50	40	KKGB	
Cc1cccc(/C=N/NC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)n2)c1	3765385	UARROWOKHAIUKI-AMVVHIIESA-N	505.525	6.240	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	4063577	UMEFROZMEKPQJS-OGLMXYFKSA-N	568.449	5.088	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1	4788339	NSMGZJANGQROKK-ZCTHSVRISA-N	512.034	7.614	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1cccs1	8443105	XTPLFUIDIMGIPG-FQEVSTJZSA-N	506.634	5.160	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(F)cc3)=C(C#N)[C@H]2c2ccco2)cc1	12250168	VADRHJUQFJDVOL-SANMLTNESA-N	516.598	5.688	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1c(Cl)cccc1Cl	13922309	RHKLIUZXJYXROD-IPPBACCNSA-N	514.409	5.677	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccccc1O	15013699	BUQMGZIHGHPEGJ-WYMPLXKRSA-N	504.178	5.260	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(NC(C)=O)cc2)=C(C#N)[C@H]1c1ccco1	29747693	DYLKUSGRTIVICO-VWLOTQADSA-N	542.617	5.006	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1	59335055	UFDHQSAWABNKDG-NHFJDJAPSA-N	514.028	8.319	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	59853315	JTPZVSZEEUBEGR-KEIPNQJHSA-N	567.642	5.904	50	40	KKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)cc1	97961755	YUQWKSYDRDPHEA-OZBRXXBKSA-N	529.420	6.264	50	40	KKGB	
O=C(COc1ccc(Nc2ccccc2)cc1)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	97981042	ZHLUQKQMBXXUNN-ALQBTCKLSA-N	547.533	6.438	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F	100117769	ROKIOGHFCOZWHQ-ATZGPIRCSA-N	534.538	5.781	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100119319	VOYJWXWPGXLIKF-KPGMTVGESA-N	603.959	6.784	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)cc1C	100124616	PZJRAIMAOHEANT-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	100125681	VIARLTHYBQKCQO-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126421	BRWLDXPIZXNYAP-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	100239847	RJYFRIMCGNUGRZ-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(Cl)c(Cl)c1	100974217	YSHKZPPOOMHYNP-MNDYBZJGSA-N	557.528	6.265	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	101059389	OXAZGRDDIDUAAD-HGLWPWQMSA-N	509.672	7.315	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(Cl)c(Cl)c3)n2-c2ccc(C)cc2)cc1	101511541	YSXVQNTTYBCRHH-STBIYBPSSA-N	540.476	6.191	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(F)cc1	103884052	WZYPAPKAJZMSQV-KQWNVCNZSA-N	564.455	5.822	50	40	KKGB	
O=C(CCCc1ccc(N(CCCl)CCCl)cc1)N[C@H](Cc1ccc2c(c1)OCCO2)c1ccccc1	104051107	XJAWYDVJBYVRBQ-HHHXNRCGSA-N	541.519	6.165	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	104699925	BCBDYMGFQPGIQT-HWJCWBKPSA-N	547.699	8.099	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1ccc(Br)cc1	107594907	HKQYHJLACPZAJR-OKCVXOCRSA-N	582.292	6.645	50	40	KKGB	
C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341135	AUPRYSZNFPRCHI-VKHMYHEASA-N	638.046	7.845	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3)cc2OC)ccc1OCc1ccccc1	408540509	SQIFHBNDLOTDCB-CAQPMQTCSA-N	531.008	6.279	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c(C(=O)OCC)c1C	408545969	AVMKLJFLOVHHQY-DEDYPNTBSA-N	549.605	5.444	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccccc1Br	408554314	RPMGLHLWDIYIRB-LDADJPATSA-N	505.441	6.214	50	40	KKGB	
CC(C)[C@@H](C(=O)O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408659085	OTBBIRFGAAYDPR-OOSVCOKCSA-N	659.393	6.681	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(N2CCCC2)cc1	408676753	NEHMQBFXPYIXTQ-KCSSXMTESA-N	518.444	7.090	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccccc1C#N	408678454	ZGPURRLIIMAQPB-OCSSWDANSA-N	580.426	5.115	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408689592	YRMLSJOGQIHTAZ-VQHPVUNQSA-N	623.556	6.126	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	408740897	DUWCRDQCMKEUIS-OGLMXYFKSA-N	550.065	8.473	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)cc1	408743573	BESVGNSCMQIOPI-YVLHZVERSA-N	623.672	6.840	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12	408746300	RQCCDHDRSADBTE-BKUYFWCQSA-N	503.385	7.280	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)cc1	408754057	DBQMGGHDCICKPL-LFIBNONCSA-N	566.260	6.378	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC)c(Br)c2)cc1	408763860	KUAIASBCQJCPGO-OQLLNIDSSA-N	522.193	5.333	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(C(=O)O)cc1	408789379	PKCVIEZDLUDAJD-KEBDBYFISA-N	616.839	6.475	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408790671	QPNDJPQMJMLVJJ-LICLKQGHSA-N	604.198	6.087	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCc1ccc(Cl)cc1	408791009	SJLMFGWOIMYPOD-PCLIKHOPSA-N	501.026	7.209	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc2ccccc2c1	408793029	CWTASSOMYBTLBC-AFUMVMLFSA-N	541.445	7.352	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408794212	IJLDGNTZOGDTQL-OMCISZLKSA-N	676.563	8.447	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408796438	YCQAIISYYGMMLI-GIJQJNRQSA-N	700.154	7.662	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccccc1	408799362	YSRGTNQGQVSXLQ-VXLYETTFSA-N	511.803	6.544	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408815103	IGKPMEUTWOFQDD-WDDZXDAQSA-N	507.845	6.836	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)cc1C	408833031	YTRMLHNFUAKFAT-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408839203	ORFYELUKCXYUKE-KBKYJPHKSA-N	522.926	5.208	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408847543	SSKODGPBAOOVMI-MWBNBJEGSA-N	657.104	7.405	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)c(Cl)c1O	408857060	MPMWDVUUJCWYPS-UHBFCERESA-N	552.856	6.737	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408861113	NHMHVNYJDBWPAK-OKCVXOCRSA-N	551.068	5.168	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	408861480	BGPCVUJCMPWQAL-XZYGTATASA-N	696.620	6.016	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(C)(=O)=O	408861637	UDSXJSVDVXIIRL-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408862406	HFUOMNOYXKRKSY-ATZGPIRCSA-N	613.567	6.372	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2cccc(Cl)c2)c1	408863144	PNRIXPWSKDRVBE-UZWMFBFFSA-N	606.060	5.236	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OC(=O)c1ccc(C)cc1	408880790	IVOWBHZIIFJOFX-QXUDOOCXSA-N	544.692	6.606	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc(Br)c1OCc1ccccc1	408881877	OAPMELIEJCWSLW-GUBAARJWSA-N	626.595	7.255	50	40	KKGB	
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1	408882124	QAMQUHPFZRYDNI-HYARGMPZSA-N	501.413	7.888	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl	408884292	UDHDJGVAZJQDJO-HNSNBQBZSA-N	549.454	6.357	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OC(=O)c1cccc2ccccc12	408884768	VLZHOAPPDXYMIU-FJEPWZHXSA-N	590.455	6.214	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1Br	408893162	FWYRBKJTSZAAIV-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2cc(C)cc(C)c2)cc1	408893845	NROZGSVYUPIAKA-OCSSWDANSA-N	550.084	5.105	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1C	408896616	OTWSAIOYKJOZAQ-UDWIEESQSA-N	570.281	7.043	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2OC)cc1	408898759	MVVRMQPGHSWUEC-XZYGTATASA-N	595.136	6.960	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccc(C)cc1	408900349	VGJYGKRJDPZGOD-JFLMPSFJSA-N	505.621	5.465	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1	408923851	KPSOAJZTOMEIRP-GZTJUZNOSA-N	530.389	5.265	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408948968	RTQIWDIHAOSNHC-BIKKEBSBSA-N	621.137	7.595	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)c(OC)c1	408957871	WOAUVWLYPLKUMU-HVJLQFNCSA-N	720.404	6.064	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(I)cc1	408963332	NDRPBIRHCAOAOT-ZRGSRPPYSA-N	511.285	5.481	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1c(C)cc(C)cc1C	408970049	ZEZSGSRWJDAGBE-VYJVYIHASA-N	642.624	7.345	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/C=C/c1ccccc1	408972408	SYNJJRWOLRKNIN-IKDGCCTLSA-N	510.421	5.304	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl	408990266	WPMSIJLIYLJVAT-ODLFYWEKSA-N	515.824	7.479	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408998828	CIIFTZFFCIYNLI-ALQBTCKLSA-N	642.621	5.255	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	409004080	AJRJHONJRLWONP-ATZGPIRCSA-N	616.954	6.567	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1	409027402	HICKNJZTCNVPQA-VGSHQSRASA-N	609.546	5.954	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409035313	JPHSIWOIQKEVHZ-MWBNBJEGSA-N	617.558	8.602	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409036690	LJMKEKLYKCNCGD-KMUKQRDJSA-N	580.040	6.995	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409040934	VEWGLLFECIRZBR-MZJWZYIUSA-N	644.678	6.211	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409046454	KFYHNMNRELJHFS-DLCNMLRHSA-N	652.319	8.156	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccccc1Cl	409050905	CTHXTOLDPMYEQZ-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081780	LACGMAAGHONCEL-LFIBNONCSA-N	531.874	7.004	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(Cl)cc5)(c5ccccc54)[C@@H]3C2=O)cc1	409142704	FPXMAXCZNMIRKV-RRCLOXMRSA-N	560.053	5.544	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1	409151286	FXYSMFYNZKLYGB-KVSWJAHQSA-N	578.250	5.171	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1	409167257	HWXKRDDNDBSOML-KVAAJVFYSA-N	623.548	5.372	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409180243	QJSBHRDJDXXZPE-SIBOWDGYSA-N	659.758	6.547	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	409184003	HPDIRHPJEUTMDN-VTNSRFBWSA-N	586.928	7.115	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)c1cc2ccccc2o1	409190422	MWNQKVPKHDMFRJ-PPDIBHTLSA-N	553.387	6.348	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc(Br)cc1	409191608	JCEGCJZYTGINMB-YVLHZVERSA-N	581.248	5.607	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	409208052	AMNNZYPMYJJNOU-FJEPWZHXSA-N	525.457	6.977	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1cccc(C)c1	409221872	BFUUAKLQMIVQBB-UHFFFAOYSA-N	576.436	6.546	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1	409225153	PCSAJONPRYPFOR-XDHOZWIPSA-N	550.409	5.338	50	40	KKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)COc3ccccc3I)cc2)cc1	409241890	PDCPTKAVJHTEEA-OYKKKHCWSA-N	502.377	5.280	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc(I)cc1	409248173	GNXGWXUZSZQESZ-MUXKCCDJSA-N	658.249	5.705	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1cccc(C)c1	409249197	SPTAAWLKAKXVMH-AYBNGVQBSA-N	505.412	6.130	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409258102	TWIUIYADHKHEKJ-VHFSBPNMSA-N	660.583	8.041	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	409260844	XLJVXKURVGCZHN-ODLFYWEKSA-N	549.381	5.537	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)c1	409365069	PUJCXYGOKDCIBN-RWPZCVJISA-N	521.402	5.604	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	409372151	FQRNUZRZEPBDSF-WKULSOCRSA-N	662.265	6.401	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)c1	409395042	JETIRTUXECZJFL-UHFFFAOYSA-N	678.324	7.494	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)cc1OCC	409395452	NSWMXISIEJFLMR-UHFFFAOYSA-N	865.744	9.398	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccco1	409395645	QFOVHZHOJVOBMP-UHFFFAOYSA-N	676.148	8.243	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396606	YTKRMKWEZGUINO-UHFFFAOYSA-N	659.480	6.830	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397681	MRNUWCRUXOGLEJ-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
N#CC1=C(N)N(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C2=C(CCCC2)C1(C(F)(F)F)C(F)(F)F	1088922	JTSZCKSSEJYXIQ-UHFFFAOYSA-N	549.522	5.397	50	40	KKGB	
C[C@H](Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	1785372	HBWFTLAJEDVSJM-AHDSZGRNSA-N	546.693	5.193	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1	2802046	IZZACLZCVYZHCD-KBKYJPHKSA-N	589.067	6.158	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccco1	3232611	NFWHDZRXTGXVFJ-WKULSOCRSA-N	588.425	5.379	50	40	KKGB	
O=C(NNC(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1cccc(C(F)(F)F)c1	3242242	RWUBVLSOKJHOBZ-UHFFFAOYSA-N	525.409	5.835	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3cccnc3)nc3ccccc23)ccc1OCc1ccc(Cl)cc1	3341996	RMINGUZJNKDJJV-ATZGPIRCSA-N	522.992	6.302	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	8386117	IBQBJOZIYANJQL-WNIKTKSOSA-N	509.437	5.761	50	40	KKGB	
CCOc1cc([C@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc(Br)c1O	9693508	NCXUXBDGGSLHBD-MRXNPFEDSA-N	500.418	5.081	50	40	KKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)c1C	12644506	LEPKGVNRNSJXKI-RGDUZTMSSA-N	524.621	5.352	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@H]1c1ccc(Cl)cc1	20080791	QGGUPWQNMOPRHK-RUZDIDTESA-N	508.043	5.699	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(NC(=O)c2ccccc2)cc1	59886154	DKMOQIUIVGJNRF-QNKGDIEWSA-N	575.090	5.713	50	40	KKGB	
CC1(C)O[C@@H](P(=O)(c2ccccc2)c2ccccc2)[C@H](P(=O)(c2ccccc2)c2ccccc2)O1	68569429	LFMGKQZUBDKJTF-NSOVKSMOSA-N	502.487	5.450	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1OCc1ccccc1	97959571	AAGJYWDBVQENLU-MUXKCCDJSA-N	571.149	6.314	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)cc1	97964256	IFBNYWCRHSKJBF-OGHSTFRSSA-N	708.382	6.557	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cccc(OC(=O)c2ccccc2Cl)c1	98001738	BXCVBFNTKQPIGY-LUOAPIJWSA-N	645.529	6.376	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1	100117404	RDEXMMZHRCQEKU-IPBVOBEMSA-N	541.755	5.618	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc(I)c1OCc1cccc2ccccc12	100231028	UJZMKWVGOSSGKV-CTPHDRQGSA-N	568.455	6.308	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccc(C)cc2)cc1Br	100285939	RYUMZEPIJGYMGS-VTNSRFBWSA-N	627.536	5.658	50	40	KKGB	
COc1ccccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C(\C)c2ccc(Br)cc2)n1-c1ccccc1	100296290	MSIYWOHZNYBADG-ZTLXJKOPSA-N	579.524	5.672	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	100343779	CVHLMYQOTZWFLU-KBVAKVRCSA-N	610.092	5.318	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	100379367	ILXVWLJTVKWVGR-FJEPWZHXSA-N	576.889	6.637	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(F)c2)=C(C#N)[C@H]1c1ccccc1Cl	102717945	MINWSRUIIAMKHM-HHHXNRCGSA-N	563.054	6.194	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccc(C)o1	102809990	NPDOYVBEKSGQRS-SANMLTNESA-N	582.604	6.322	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F	102833122	DPJRQHSBYIBGKR-WOJGMQOQSA-N	540.345	6.020	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	103884703	CQTUETYZLJXCRH-DIBXZPPDSA-N	552.631	5.557	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(I)cc1	103886570	SUJLNOFAIBLFBH-SXGWCWSVSA-N	555.210	5.027	50	40	KKGB	
C[P@@](=O)(c1ccccc1)c1ccccc1OCCCOCCCOc1ccccc1[P@](C)(=O)c1ccccc1	104224869	HOBMYPYHLJBWRH-LJEWAXOPSA-N	562.583	5.829	50	40	KKGB	
Cc1ccc(/N=N\C(=N/NC(=O)c2cc(Cl)ccc2C(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1	104315686	ZLQPWYDRPWCDQZ-XXIBWFMRSA-N	616.125	7.697	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(I)cc1)c1ccccc1Br	104402081	CPVLTXQLVAOZCI-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	170151592	USBJDBWAPKNPCK-YCAMKHIRSA-N	615.270	7.570	50	40	KKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cc(Br)cc(Br)c1O)[C@H](C)CC(C)(C)N2C	208212384	SFHMXHNSKVRFCE-OBPDLJBASA-N	523.269	5.712	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408528652	HYUSLLZIHCGDRH-KVSWJAHQSA-N	704.144	6.108	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1I	408542471	JQTONAHSWOUDNW-NVNXTCNLSA-N	557.125	5.223	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccc(Cl)c(Cl)c1	408551530	DQTZYYAEDCWDKC-NKHVPTTDSA-N	695.426	8.404	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408569159	MCKLDHGKKFMDMP-WCMJOSRZSA-N	600.162	6.072	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1	408580547	CFZVVESAFVXAKZ-VCHYOVAHSA-N	578.098	7.626	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408607823	FASZXWVFIFRLAW-CCVNUDIWSA-N	500.382	5.368	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl	408611666	RMPSYUISRZOYCP-IBBHUPRXSA-N	528.436	5.471	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1ccccc1	408686501	SQNWCKGFOFGLEI-VPUSJEBWSA-N	573.399	6.392	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccccc2)cc1Cl	408719616	HWQKUTSUKUWIFJ-NDZAJKAJSA-N	550.036	5.487	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccccc1	408744353	XZIYZRHUXTWCLH-ZDLGFXPLSA-N	603.210	5.877	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408744523	FSZMRHALYGGPPX-SXGWCWSVSA-N	536.640	7.534	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408748112	YMPJOOJUWIIAPV-NVMNQCDNSA-N	527.205	6.752	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1	408761129	CDLTVPDOMWGYMO-AMVVHIIESA-N	523.376	5.088	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408764284	STJCXSMRFFKRMY-YBEGLDIGSA-N	566.260	6.378	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408765849	YIJUMDXCSPUDOB-LQKURTRISA-N	598.431	5.441	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(C)cc1	408767443	XSAPWNOSRVIKEH-JAIQZWGSSA-N	617.281	6.886	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408771739	BYJNYYDIBAPIBG-GRSHGNNSSA-N	607.275	7.294	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408775208	RHHDXLMWKGBVOC-MOSHPQCFSA-N	557.950	6.902	50	40	KKGB	
N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N	408777356	YAAMBTUSKXVYLJ-IPMMQHMHSA-N	523.065	6.295	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408786759	NDWGIKIRAMZNJM-MOSHPQCFSA-N	565.424	5.947	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	408789835	MGCHFLZHCCWTBI-RGVLZGJSSA-N	573.860	7.347	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1Cl	408790741	YCOVVLAGVKJLSS-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccccc1	408794910	JPDDVNDOVCMMHI-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	408818540	XDPBAIHJANROBL-XDHOZWIPSA-N	508.836	7.812	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408824561	IGNRMMXUBTYQKM-NNLKUIAGSA-N	719.285	6.282	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)ccc4OC(=O)/C=C/c4ccccc4)cc3)sc2c1	408837983	BBYYLMLLOIEQHX-VTVRWMQASA-N	672.988	8.261	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(F)cc1	408843146	DQYCDIXNZVVTLB-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2ccccc2o1	408852497	GNHWJOWNCRBOIQ-FXMZOFOKSA-N	552.639	7.498	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(I)c2)cc1	408854270	BGPRZBNUHQNJCV-OJYCWLPVSA-N	629.473	7.539	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1)Nc1cccc(Cl)c1	408864125	WRXWXMFWHAJQLH-HPNXWYHWSA-N	596.131	5.439	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1	408864253	UVIILYICBPYMAZ-ALQBTCKLSA-N	610.107	6.111	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1	408864778	ZVOBFJQDJNBQQP-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1Cc1cc(C)cc(C)c1	408865113	ATVXGPTZFSKREX-YDZHTSKRSA-N	503.440	6.910	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC	408867666	LRTFAYQGDWCUAL-RIYZIHGNSA-N	530.284	5.653	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccccc1F	408880005	IDTLHWAISCMKIW-HBHSWBPBSA-N	698.480	7.320	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408890358	RUNBMGUPQSMWMV-WKULSOCRSA-N	582.248	6.357	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408907061	LITBTJRHGWEQOB-MSHUQIKOSA-N	697.311	5.282	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1	408907978	ABHJLKUAPMVEKM-ZCTHSVRISA-N	529.434	5.723	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1	408922853	GWBQBRMUIJVJKK-LZYBPNLTSA-N	621.669	6.906	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl)Nc1ccccc1	408949163	SBIIQTRGQVNTBC-WKIKZPBSSA-N	526.774	5.630	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Br)cc1	408964912	TYFRTBRBLTWLOE-XODNFHPESA-N	507.306	5.819	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C#N	408969014	FUZNTDIORXMBSY-LYMXBUBISA-N	659.570	6.488	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	408973218	XQFGYIAZTUKUEH-FAILIVOPSA-N	733.874	7.642	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCc1ccccc1F	408973885	WDPJSTNKWLTVCT-RPPGKUMJSA-N	538.744	5.435	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408974569	ZTMVUTDNBCPWIJ-AMBALQSSSA-N	570.473	5.212	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)OCc1ccccc1	408993146	UVJXYIPWYCXVFI-YUYATRLPSA-N	752.835	5.746	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccco1	409002887	QBXLLEHUAINLCU-UXHLAJHPSA-N	511.534	5.222	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1	409019644	WJMFWKPOZRKBFV-RWGILNLTSA-N	570.517	6.329	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)cc2)S(C)(=O)=O)cc1	409027890	UZABLBAJSGHCGA-VTNSRFBWSA-N	583.541	6.439	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409092183	WHADFLMQQGBLKU-MWLSYYOVSA-N	646.266	6.321	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2)cc1	409169693	RAZDHEKBSMHOBC-OKCVXOCRSA-N	557.434	5.279	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(Cl)cc1	409192104	ACXHYIOXOSOEGQ-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2I)cc1	409202308	RFWLHBXHOVZFRQ-GRSHGNNSSA-N	622.200	6.756	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccccc2Cl)c1	409218947	LVXUQBYXPJGHNS-UHFFFAOYSA-N	645.724	7.645	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1	409218956	LWRARFCFOMPJEH-UHFFFAOYSA-N	719.308	7.474	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(OC)c1OC	409220326	WWTIKDSPPNKJTO-OHUYPAJKSA-N	588.016	5.601	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1	409223801	IBRZHQJHHITETM-RGVLZGJSSA-N	508.405	6.482	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409225278	NZBOFNZOKLOMPN-NVQRCRJSSA-N	622.590	5.357	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409227001	WXAGVKCUDDVYLX-UHFFFAOYSA-N	699.739	6.829	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1	409235091	AGXJTTCODVLWMU-OXUBWTJQSA-N	588.742	6.638	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409249821	LSMXULLOMMYATM-LSCVHKIXSA-N	605.208	7.227	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409264296	DHZAEHUHTQDZOZ-XKZIYDEJSA-N	609.464	6.178	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(Br)c2)c(C)c1	409264825	GCVVYZPVIGSSAW-VCHYOVAHSA-N	617.725	7.045	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409269223	HGWXAYUFWJGYSZ-WKIKZPBSSA-N	622.257	5.152	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OCC	409318529	WFCRFKXLFNUUDZ-YKQZZPSBSA-N	617.518	5.651	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)cc1OCC	409321544	IFTDRFSPUVRRNI-DICXZTSXSA-N	626.323	5.541	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409326117	GYADVFODASBBRW-VHFSBPNMSA-N	680.983	7.179	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409362870	TXEXZJOXZQDPIG-QDTIIGTASA-N	583.253	6.187	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409372244	UMCWNIJSAUXCSI-IDUWFGFVSA-N	534.193	7.316	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1cccc2ccccc12	409373237	GBPYECRAFKSRCH-UCQKPKSFSA-N	538.445	7.829	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409388965	YNLWBDDPMRBTAF-LGJNPRDNSA-N	517.221	5.353	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(C)=O	409397251	HXRCKKJACSKMSL-UHFFFAOYSA-N	572.577	5.624	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(OC)ccc(Br)c2c1-c1ccccc1	409398147	REDBNGZKOZHZFH-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409400687	FBEBXCHDTCXCKU-LQNQUEJISA-N	546.421	5.805	50	40	KKGB	
Cc1cccc(COc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409401083	GJFCUXDBKWRQOJ-FZKWRIDDSA-N	578.625	6.826	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCC(=O)Nc4cccc(F)c4)c(I)c3)o2)cc1	409405253	SHBBIGSHBNMMTF-ADJDCTSUSA-N	832.408	7.396	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1	409408594	JXXXKKZLUXBFAX-UHFFFAOYSA-N	520.501	5.082	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	1529547274	JZUJVZCEKCWNQW-DMFIQNIRSA-N	793.478	5.526	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccc(C#N)cc1	1529548695	LTRBMXSVLSDDIP-TXWDNMQDSA-N	697.011	5.438	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccc(Br)cc1	1529548917	PYOWGODWXFLLML-JKYKOXDNSA-N	750.897	6.329	50	40	KKGB	
CN([C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1-c1c2ccccc2cc2ccccc12)[S@](=O)C(C)(C)C	1857795197	SLXVYPHFSDYYON-GJSZZFLHSA-N	599.780	9.228	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	706251	AMSLLWHBVZGQAZ-HSZRJFAPSA-N	516.667	5.530	50	40	KKGB	
C[C@@H]1CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c3cc(OC(=O)c4ccccc4)cc1c32	1460192	UKJAZFAFJOEYEB-JSRFKQPZSA-N	559.578	5.017	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)s1	1830648	KHWHALJMRHVQRU-BRJLIKDPSA-N	502.452	5.853	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc(-c2ccccc2)cc1	1894096	UIUVWAZKASPOQK-VULFUBBASA-N	511.097	6.393	50	40	KKGB	
N#CC1=C(SCCCCSC2=C(C#N)C3(CCCCC3)[C@@H](C#N)C(=O)N2)NC(=O)[C@H](C#N)C12CCCCC2	2030100	BCVHNKKPQKXEJY-PMACEKPBSA-N	548.738	5.144	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	2379367	VHFMVNKYPMPDHF-UMADGWCESA-N	526.127	7.829	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/C=C\c3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1	4468442	FSWITAMKGXHRMA-GJTBYKRSSA-N	528.594	5.149	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(Cl)c(Cl)c1Cl	12643892	OTQGNDCNOGKXLE-AZYNLJGQSA-N	510.849	5.969	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3OCC)C3=C(CCCC3=O)N2)cc1	13174326	XSUBCBUTJJEYMQ-AREMUKBSSA-N	503.624	5.285	50	40	KKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3cc(C)ccc3C)c2C)c1	20243648	PTEZBXADHTXLFZ-XODNFHPESA-N	512.517	6.474	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cc(Br)ccc1O	32116871	CDCOMFGOURZIMQ-FOKLQQMPSA-N	506.765	5.631	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccccc1	33347757	CGNSEAQTOVFZOF-GTWSWNCMSA-N	507.546	5.321	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	97964215	QTHQWKVSHJXBPR-BJOHUXPJSA-N	598.011	5.218	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1	100127854	PISXVRNJMNKNDD-UXHLAJHPSA-N	551.068	5.456	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccc2c(c1)OCO2	100178534	AAVHDAGBXWGPFM-YBYLMZBZSA-N	576.008	5.035	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	100207302	UQWFEPWBGKZRKP-JCMHNJIXSA-N	547.409	5.192	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc2ccccc2c1	100396985	ZMZMIWZOKRCTKF-GOJREDGKSA-N	526.039	8.382	50	40	KKGB	
O=C(N/C(=C/I)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	100471121	HGGPFZVPKKDBNC-QLYXXIJNSA-O	534.357	5.644	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	100869508	MEJTUPQTWVEIHW-UTDQILSNSA-N	528.848	6.712	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	102808425	WPJSOIJFKCLWBJ-LJAQVGFWSA-N	554.672	5.724	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	102812579	AQVWNGLUGOPVIC-XMMPIXPASA-N	526.489	6.739	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Br)cc1	103610567	JUDIZWCSWZUQFR-KPKJPENVSA-N	534.193	5.450	50	40	KKGB	
CCC(P(=O)(OC[C@@H](Cl)CC)OC[C@H](Cl)CC)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161244	AVSWALKQPVFJPV-UIFKHABDSA-N	566.267	8.245	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	104402916	RSOZLRJKRYPDTD-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OCc1ccc(Br)cc1	105260700	AFZUXZCRMRCXDW-JMIUGGIZSA-N	571.212	6.577	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c(C(=O)OCC)c1C	109636676	FUBZYBKNKUBHIK-UDWIEESQSA-N	586.493	7.015	50	40	KKGB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)C(c1ccccc1)c1ccccc1	113480069	CDCGPTFCYUFTAU-PLRJNAJWSA-N	509.635	5.526	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H](Br)C(=O)[C@@]21C	123295742	MHOABUMAFPMXIQ-GLYKNURPSA-N	525.524	5.719	50	40	KKGB	
CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341784	KLIQZBJUGMPPDR-KRWDZBQOSA-N	984.445	15.212	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=C\c2cc(/C=C\c3ccc(N(CCCl)CCCl)cc3)nc(/C=C\c3ccc(N(CCCl)CCCl)cc3)n2)cc1	150368036	ZWBYOFJBKIWIFV-PJBUVLOESA-N	806.537	10.840	50	40	KKGB	
COc1ccc(N2C(=O)N[C@](c3ccc(C)cc3)(C(F)(F)F)S/C2=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1	150479267	VUGHUCMCAGWEQP-VUZYYBBTSA-N	647.683	5.991	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	150481217	KANRRHFQBGYRAE-HWLOXFRGSA-N	705.258	5.708	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795488	SSKMSEHABVYQOF-WOJBJXKFSA-N	870.370	13.281	50	40	KKGB	
CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CC/C(=N\OC(=O)C[C@@H]6SC(=O)NC6=O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1	245229465	YMOJHOVBTLWOMT-BWNZWPPSSA-N	705.756	7.562	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1Cl	408526444	BZIRVEURVSHJTO-KLPHOBTLSA-N	570.793	6.271	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543189	NEHJUVBQKKUBED-HNSNBQBZSA-N	528.653	5.079	50	40	KKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1I	408552435	UHYKVGQSIUPAHD-NTEUORMPSA-N	503.365	5.048	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1	408637615	LSKHUEAXUSGUDL-HLADLETHSA-N	588.487	7.576	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)cc1	408640652	BIIWYNXUHVMBKO-NKKDEYRYSA-N	764.876	5.434	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(Oc2ccccc2)cc1	408683330	HVXAGHUUXUTYOL-NDBXHCKUSA-N	567.425	5.389	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(Oc2ccccc2)cc1	408683337	HVXAGHUUXUTYOL-UCDDGIFISA-N	567.425	5.389	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)Cn1cnc2ccccc21	408691557	FAVVOGMPKQODLI-NDENLUEZSA-N	667.288	7.585	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(Cl)c1	408739247	AISJNDJMSRZWQD-AMVVHIIESA-N	513.856	7.226	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1cccc(C)c1	408750772	RMSNFWDFFJVQNY-BIZUNTBRSA-N	606.460	5.573	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2Br)cc1	408762947	CRCJBSYSDARFFE-NVMNQCDNSA-N	605.124	7.407	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(C)cc1	408765511	LOYLUQAYPQIOEC-GRSHGNNSSA-N	511.803	6.544	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2cc(Cl)ccc2C)cc1	408776587	WLEFWDTYTSFURC-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)c(C)c1	408776942	SWTOMNCNZBSSRR-HAHDFKILSA-N	551.559	6.865	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408790691	QWHMTFAQJJLHPF-YBFXNURJSA-N	537.366	5.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Br)cc1	408790707	XUWFWMGTKBKZGC-CIAFOILYSA-N	584.308	7.352	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc2ccccc2c1	408790925	RZPDDADTTFQRRX-MFKUBSTISA-N	541.445	7.434	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(OCC)c1OCc1ccc(Cl)cc1	408791740	BTRJQZBLZUYQHL-OEAKJJBVSA-N	521.444	7.554	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(O)cc1	408794396	IETNVKHBQUPENN-UDWIEESQSA-N	625.260	7.037	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408798294	VYCGQBTUXWJNDY-RGVLZGJSSA-N	518.356	7.179	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(I)c2)cc1	408816689	MARJJFWERPJWLU-XKZIYDEJSA-N	538.385	5.411	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408818863	PGHSEHHQMFJVJC-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2Cl)cc1C	408826457	CEYGCYAURJVRMW-AFUMVMLFSA-N	591.922	8.967	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4cccc(Cl)c4)cc3)cc2)cc1	408826867	UBFZUIMVRWMXGC-YZSQISJMSA-N	509.005	7.352	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)cc2)cc1	408834879	XFITVKMHIKUOEJ-YZSQISJMSA-N	519.557	6.607	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(F)cc5)c(Cl)c4)cc3)cs2)cc1	408839555	UIULCZVILCOHET-KVAAJVFYSA-N	571.077	7.998	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408841404	GVLZKMKTMCKOOD-DPWJMMOYSA-N	807.330	7.295	50	40	KKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Cl)c1Cl	408842601	BDCUHTBYTIESPY-WDZFZDKYSA-N	541.572	7.123	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408846030	QIRITTMPCDBBJX-KBVAKVRCSA-N	532.383	6.229	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(Cl)c1Cl	408850430	ABNOTVWXKXIIRB-RAWMCFOBSA-N	505.199	6.674	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(C)c1	408856538	KGJWXKCEARXMHD-GMEAVFFOSA-N	543.667	7.503	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc2c(c1)OCO2	408857186	NNQCMNNBRITOCN-JJFYIABZSA-N	588.458	5.903	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)n1-c1cccc([N+](=O)[O-])c1	408871665	ZOXJKEXFDZEBTC-LUOAPIJWSA-N	575.434	5.514	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(C)cc1	408872125	KXJGEVNGJABTQS-VXLYETTFSA-N	545.355	6.910	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OCc1cccc2ccccc12	408882617	POHQIVYFVGTHDQ-BBUXEPKYSA-N	601.187	8.464	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1	408887178	OTEVKFXCCKJEMC-CIAFOILYSA-N	588.414	6.652	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccccc1Cl	408887199	MLSZJLYDYLJYCB-VXLYETTFSA-N	570.827	6.843	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c([N+](=O)[O-])c1	408889148	FCVQRXIDKWCEMU-RQZCQDPDSA-N	528.348	6.043	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1	408890053	NCIZUGWOWFIOLD-WOJGMQOQSA-N	508.328	5.491	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc2ccccc2c1	408900043	SKTQSYZCIRYMAY-IPPBACCNSA-N	572.684	7.361	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1	408904474	KBJAIEQKKOPLHH-MUXKCCDJSA-N	559.848	5.983	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NCCc1c[nH]c2ccccc12	408956889	ZDPFUAGSYDODOD-LFIBNONCSA-N	505.328	5.364	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)c(OC)c1	408958693	ZXLIHBHRSSTZCX-UIGQDENISA-N	760.436	5.528	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccc(Cl)cc1Cl	408967793	SDMGPPDTPSEITL-VPUKRXIYSA-N	551.199	6.118	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)c2C)sc2c1CCCC2	408980723	SQTXOISSXIDLCB-AHNVQEOQSA-N	596.753	6.223	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408983709	NPXHAJJZQXOVDM-FMCGGJTJSA-N	517.412	7.588	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408991975	PKOMQQRTIFGODA-CZGSFFRJSA-N	682.784	7.244	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)Cc2ccc(Br)cc2)cc1	409011296	GXOZMPMFPSCUKN-BIZUNTBRSA-N	606.542	5.678	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(Br)cc(Br)c1O	409014863	QLBAJPOWYRGRIC-WYMPLXKRSA-N	506.194	5.623	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1cc2cc(Cl)ccc2o1	409022189	IBOOOUYMJZPTBI-FXMZOFOKSA-N	674.635	6.777	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1	409136638	XYSXPBTWAAVSMD-ALQBTCKLSA-N	687.012	6.434	50	40	KKGB	
Cc1[nH]nc2c1[C@H](c1cc(Br)c(OCc3cccc(F)c3)c(Br)c1)C(C#N)=C(N)O2	409144018	DKGCAJSZDGEGRI-GOSISDBHSA-N	534.183	5.179	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409144370	NXZBPTGHOAZIGX-OGLMXYFKSA-N	514.047	5.091	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cc(Cl)ccc2C)cc1	409158176	KLAXTHYDKGESSV-WCMJOSRZSA-N	615.912	5.696	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1	409185745	PISLQABLAJLXMV-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409211224	NCRSHXCETFIEOL-MUFRIFMGSA-N	551.093	7.049	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)c1	409226952	WPPRTVUCSLMWDX-LICLKQGHSA-N	603.698	6.737	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409236199	DWKLFNNROLYDLF-XKZIYDEJSA-N	635.329	7.232	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccccc1C	409248488	DKGMJFPDWVUQRT-VCHYOVAHSA-N	635.380	6.190	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)c(I)c1)c1ccccc1	409253517	VMVRYEPFAPQIJI-OJSPLJLUSA-N	526.349	5.794	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1	409264204	PSMVKCPASIOLFL-WOJGMQOQSA-N	569.253	6.083	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1	409266235	PJIBJEODZRVPEI-DEDYPNTBSA-N	564.436	5.728	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409266489	XEKAEENFGSGWEW-MBTHVWNTSA-N	571.415	5.088	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	409268354	SJQYQMOOGFHPDO-WQRHYEAKSA-N	535.354	5.229	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409318586	XCYPAIKBGYRLTG-LQNQUEJISA-N	593.485	5.887	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1OCC	409323515	POVFCWAVCUHNAA-BVMLUPFRSA-N	608.367	6.896	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409360759	FTAJBNLCENNSDF-OKCVXOCRSA-N	593.425	5.836	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	409363476	LZEFMIXFCJRMQJ-IWIPYMOSSA-N	531.393	7.486	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c1	409368726	JVGVHDUWSTXCDF-LGJNPRDNSA-N	642.231	5.256	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(Br)c3)[nH]c2c1	409371000	ABEKIGMDGYSBPM-MFOYZWKCSA-N	513.222	7.584	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccco1	409395708	QVQVLIBWSFGQCO-UHFFFAOYSA-N	691.763	8.743	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396188	FGLRSLCNDLKCHP-UHFFFAOYSA-N	612.480	6.988	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396602	YSOMLGWHHLKPRI-UHFFFAOYSA-N	551.574	6.364	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409398188	RQOLJVMVOFXBMC-UHFFFAOYSA-N	561.594	6.254	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409399079	XREQEPROFLQISY-UHFFFAOYSA-N	708.350	7.584	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)o2)cc1	409399914	AGFAGLHGERLKKA-BOABNOFISA-N	691.626	8.779	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(OC)c1	1529544435	GBSVBCDTDNSZIA-MWKDUONYSA-N	749.027	5.417	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1	1889051	FZSOVNQOKWQEOQ-AXVPLRHPSA-N	516.381	5.468	50	40	KKGB	
CC[C@@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	2098776	KYNDUKCXDXQFSU-TVYAFPLLSA-N	545.275	6.131	50	40	KKGB	
Cc1cccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OCc2ccccc2Cl)c1	2178017	HWUNROUATRIYFL-SANMLTNESA-N	561.867	6.702	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)N/N=C/c1ccccc1	2304978	AMTUHGLPPSMRNC-BIZUNTBRSA-N	536.429	6.860	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	3026871	VHYPXTLRHNWNRH-UXHLAJHPSA-N	525.517	5.019	50	40	KKGB	
Cc1cccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)c1	3102565	RPDOJOYZZXZNCM-KKMKTNMSSA-N	564.205	5.407	50	40	KKGB	
CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1	26779618	MZSRPYYMBFTIRC-PYCFMQQDSA-N	503.631	7.144	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Cl)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	30750293	DMQRUPOKBAJRHP-LQNQUEJISA-N	518.086	6.436	50	40	KKGB	
C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O	43215344	JCIYFFNGTHMEDE-NTEAQYKBSA-N	529.888	6.298	50	40	KKGB	biogenic,in-vitro
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	59297398	CYDOVRXHWJULGV-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	97962515	JOLIESDMEGDHLW-VTNSRFBWSA-N	525.605	5.797	50	40	KKGB	
COc1ccc(CC(=O)Nc2ccc(/C(C)=N/NC(=O)c3cc(-c4ccc(C)cc4)nc4ccc(C)cc34)cc2)cc1	97965845	KKQYTZYIBJKOKN-RQXXSLPSSA-N	556.666	6.862	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3cc(OC)ccc3OC)=C(C)N2)cc1	98048507	OFRIGTQDLJXJOE-MUUNZHRXSA-N	574.659	5.402	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100081467	NBXNTDFWUCYFPF-DPNNOFEESA-N	597.568	6.870	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2ccc(Cl)cc2C)cc1	100122395	KFMHMXPTLXXFSF-VTNSRFBWSA-N	627.992	6.472	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	100351168	OAGIUOXYAJTHRH-GUBAARJWSA-N	620.775	6.879	50	40	KKGB	
O=c1cccc2n1C[C@H]1C[C@H]2CN(c2oc(-c3ccc(Cl)cc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1	100749379	WEQTYSBUYLZKDQ-YTMVLYRLSA-N	629.120	6.400	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100991292	MNYNVDGISUUWMN-YDYXIROLSA-N	552.881	6.476	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@@H]3C)NC3=C2C(=O)CC(C)(C)C3)cc1	101081372	ISDNDQHJZWKZGI-MYUZEXMDSA-N	513.663	5.471	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1Cl)N2	102683061	JVOXJBSAUYYKES-KBNSAFIFSA-N	549.863	7.638	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(OC)cc3)=C(C)N2)cc1	102809007	JFNBPVDQWYHRQR-MHZLTWQESA-N	528.634	5.557	50	40	KKGB	
OC[C@H](I)CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F	103536661	NTJQBCMWSLFVDR-GSVOUGTGSA-N	504.024	5.116	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	103870556	WTBDKRDCPUXCPN-XFFZJAGNSA-N	528.642	7.699	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(C)c(Cl)c2)cc1	103899807	HWPISYNOIGXBCV-IBBHUPRXSA-N	590.916	6.869	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccc(C)cc1	103901276	BSBWFRDEUBKHCP-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	104402189	UMZLKPMLEISZQR-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl	104898872	STCSIYNDLQXRPZ-KVSWJAHQSA-N	520.800	5.632	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c(C(=O)OCC)c1C	109721165	NAVXYZVFIQPHQY-JCMHNJIXSA-N	547.677	5.602	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(Br)(Br)CBr	150341077	JSAHWGDHPZKEPF-UHFFFAOYSA-N	684.804	7.877	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(I)c(O)c1	150383838	JMMUSUQJXZIDCY-BIZUNTBRSA-N	628.426	6.794	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12	150420283	SFXAPZWCKBVPNY-HIJYSNSOSA-N	636.020	5.052	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795372	VCJLHEWEWDNTIE-TXEJJXNPSA-N	858.168	11.431	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)Cc3cccc4ccccc34)cc2OC)ccc1OCc1ccccc1	408539668	JFQPPYRTOWAIOB-DBSPGSINSA-N	639.546	7.470	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1	408539862	KFLWJFGNVZTDEM-MZFJOGFUSA-N	515.009	6.661	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408612857	ZANCDUKFKQRGGH-INIZCTEOSA-N	548.854	6.121	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408686595	SBSRBSFILSJEOA-MSPXFKQSSA-N	646.119	5.237	50	40	KKGB	
CC(C)c1ccc(OC(=O)c2ccc([Si](C)(C)O[Si](C)(C)c3ccc(C(=O)Oc4ccc(C(C)C)cc4)cc3)cc2)cc1	408720357	LMTFFWRWNJJLIW-UHFFFAOYSA-N	610.899	7.913	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408744339	FAFLYFXZZUYLCU-YVLHZVERSA-N	621.123	7.107	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1I	408747227	KTDGNHVFHYTNMI-DHRITJCHSA-N	501.368	5.088	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Cl)cc1	408760587	BFTSXUMFFINBQY-IPPBACCNSA-N	572.684	7.361	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408777924	MDRSMLCALSACLZ-YZSQISJMSA-N	579.314	5.256	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccc(I)cc1	408782479	HKHJDZQJLYWTGK-WQRHYEAKSA-N	503.181	6.525	50	40	KKGB	
N#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408788212	JDQGPJQJCMDPTE-XDHOZWIPSA-N	661.237	5.923	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccc(Br)cc1	408796190	NKMCZYPHUUWVBE-KGENOOAVSA-N	535.394	5.759	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)cc1	408796675	YUHXORJYJZIJNI-UDWIEESQSA-N	570.281	6.907	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(C)c(C)c1	408812764	XFZPIBQWBDHMIP-ZMOGYAJESA-N	533.466	7.206	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1	408815776	SBNZJTAKGQIPEL-NDENLUEZSA-N	603.254	5.865	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408833251	XAABPHQYBWCCKE-STKMKYKTSA-N	558.635	5.122	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OCC	408833678	ULPBHXBSDAMODJ-KGENOOAVSA-N	569.883	7.415	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408834630	UTVXADYVBHGETL-STZFKDTASA-N	659.389	7.594	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OCc4c(C)ccc5ccccc45)ccc4ccccc34)cc2)cc1	408837158	ZKMUMGVYIGYYKW-AWSUPERCSA-N	588.707	9.314	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	408837580	JDTGDUVEOMJNKU-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841684	GRZQWPHNWITEAA-PTEHHBOZSA-N	775.748	9.838	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	408862487	KBWWRVXAEVBJCE-UKZVYPLNSA-N	649.567	5.051	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408864079	SNZQKRAVAHQLPX-XZYGTATASA-N	696.620	6.016	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-]	408864679	ZCWPXGUAZPMFKJ-FDAWAROLSA-N	593.061	5.725	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408868915	QQGZCZRGVIQIEH-BVMLUPFRSA-N	619.914	5.720	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c1	408869584	SICMXJGRPRBRRX-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cccc(Br)c2)cc1	408878191	XSUMNWVVCWEGOW-KPGMTVGESA-N	648.410	6.817	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccc(F)cc1	408878969	CACKTUFKYDGJNU-LZYBPNLTSA-N	560.763	6.283	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCc1ccccc1Cl	408890206	PQTYTXJEXUBXCU-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1cccc2ccccc12	408892445	ZJHNMWJWRZREIV-CJLVFECKSA-N	521.529	6.220	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408933644	BTNWKOSZICIHFC-CAQPMQTCSA-N	536.657	6.797	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(I)cc2)c(OCC)c1	408943193	HFGWYCFKFRVOCK-PMERELPUSA-N	728.609	5.154	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(C)c2)c(Cl)c1	408947037	NNEPOGHKYCCTJK-MUUNZHRXSA-N	641.577	5.766	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)c(OC)c1	408956310	QNXGFYUPEZWZIB-NLILZDBFSA-N	750.430	6.072	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1	408963666	IQMKUNHRRNTKEE-CZKBWYIVSA-N	665.530	6.134	50	40	KKGB	
COc1ccc(COc2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1	408964763	ZUCOYBUBCKJXSO-VAMQLKDNSA-N	586.516	6.030	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408970857	LHKQSUIJFFFMKB-LJIPQTTBSA-N	669.831	7.437	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C)c1ccccc1	408976687	BSSYPXRYFBAJGJ-UJEJHLKSSA-N	517.655	5.234	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N	408994442	GBJRGTTUVUMCRV-MOQADUSSSA-N	545.384	5.078	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	409014750	YJJNARCVIBSGJK-GOJREDGKSA-N	525.583	7.974	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)ccc1I	409016439	IUHIVZJUJMYAPQ-JJFYIABZSA-N	528.824	5.930	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc1Br	409016702	RJEMOKKOECURBZ-DSLAYPBOSA-N	615.750	5.490	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccccc2OC)cc1	409026922	HAUIUUOVYCLUEG-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
C=CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409038159	ORLXNBDXXDWPLL-ZCTHSVRISA-N	504.615	7.036	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409038617	AFZYUCRHHKFKJV-LPYMAVHISA-N	562.464	6.336	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409044385	CMORALZLRWZELW-LPYMAVHISA-N	562.464	6.336	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409049139	VACYCMQRWCGBCV-XDHOZWIPSA-N	597.409	5.267	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc2ccccc2c1	409081754	HXIBULAVSVLJHE-MWLSYYOVSA-N	595.393	6.094	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1	409136762	ZIPIBCNUPRCYQD-VFCFBJKWSA-N	589.499	5.347	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1	409166270	CMHGVORMIQYCEO-JJKQSNDFSA-N	621.410	5.200	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc(C)c4)c(I)c3)cc2c1	409185076	RNOSHDKDARKHRX-MBTHVWNTSA-N	554.384	6.087	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409210564	JNUIUHFPONPNOE-CCVNUDIWSA-N	576.900	5.761	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cccc2[N+](=O)[O-])cc1	409219486	RAZTWIJLMLWXEU-WNQABDHSSA-N	564.554	5.238	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409219688	TXLGTFOJEIQBGA-FYJGNVAPSA-N	503.986	5.919	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409223921	HPRNPJFDCZICRB-UHFFFAOYSA-N	620.887	6.737	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	409224623	MSVXTHRFSADZHO-LDADJPATSA-N	584.854	6.073	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	409239563	ZAIIRCLCAMSFKU-PPDIBHTLSA-N	538.186	5.762	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409243025	UNDMYYWGKPQHGP-QNGOZBTKSA-N	536.401	5.262	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409256664	QAELAKKHIGQDRI-GRSHGNNSSA-N	524.404	6.182	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)c(OCC(=O)Nc5ccc(C)c(C)c5)c(Br)c4)cc3)cs2)cc1	409257948	VBPMJOYPYFZDEU-ADJDCTSUSA-N	747.513	8.785	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(N)=O	409270417	FSRIPCBJNVQTQX-IURWMYGYSA-N	584.485	5.887	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409300749	ASIFECAHXMOFFT-KMUKQRDJSA-N	646.538	6.525	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	409310292	UBKSXCCOIXGIKX-FZPRHHONSA-N	609.904	7.042	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OC	409317192	SIPISGILCVERME-MNDYBZJGSA-N	586.870	5.766	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OCC	409322352	JJUGNUJVXSEHRE-MNDYBZJGSA-N	544.435	5.881	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409323052	MTSOIKVNAQPJRC-OHUYPAJKSA-N	629.518	6.511	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1OCC	409325149	XLEZXGWUGFCHDE-LQNQUEJISA-N	524.017	5.617	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409337870	YETLFKCONKWOFM-DVAMMYLFSA-N	661.391	6.351	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409372649	ZPLMONUDXPMJGS-UNOMPAQXSA-N	596.409	5.337	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2OC)cc1	409382654	MVLIOTLFOHDMCZ-NDENLUEZSA-N	564.436	5.646	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Br)c1OCc1ccccc1Cl	409386861	NZGAQOVHKJFYOI-UVHMKAGCSA-N	508.844	5.063	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395199	KWOPFTVRIAUQEF-UHFFFAOYSA-N	725.777	7.734	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)[nH]c12	409395342	MLTRVWATEMOQIR-UHFFFAOYSA-N	635.312	7.498	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)c1	409396761	AWNUOEYZCOGRLG-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409396824	BPKAUOSWEOJZDY-UHFFFAOYSA-N	576.411	7.273	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(ccc5ccccc54)c3-c3ccccc3)cc2OC)cc1	409397526	KWUPWAREECUFQK-UHFFFAOYSA-N	569.617	6.988	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409397817	OJHTWIGDICVROS-UHFFFAOYSA-N	547.567	5.945	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(Cl)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409403612	NOMJKYDXQIOHLA-VHFSBPNMSA-N	646.969	8.333	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3ccc(Br)cc3)o2)cc1	409406900	XXWPBSRQLRJGLX-QJOVZPHJSA-N	641.566	7.438	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1	409407056	YQXLBSFLQFXFSG-WBIBEUCMSA-N	687.547	7.678	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1cc(Br)ccc1F	1784283	NXDDDKUMNSYITQ-OPEKNORGSA-N	547.500	6.128	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1CSc1nc2ccccc2o1	1815324	PMRBQJBBNGNZCL-LRGGEUKRSA-N	504.439	6.170	50	40	KKGB	
CN(NC(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)c1ncc(C(F)(F)F)cc1Cl	2561687	ZUVZITVACIAEGP-UHFFFAOYSA-N	525.236	6.395	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)[C@@H](Br)[C@H](Br)c2ccc(C(C)C)cc2)cc1	3126970	JRHOYCAUOJVCSZ-RPWUZVMVSA-N	580.338	6.969	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1OC	13581662	MQCOGLXKWRJXRE-FOKLQQMPSA-N	509.078	5.134	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	20348655	QIPFDCRDXFIKJH-NDEPHWFRSA-N	526.637	6.149	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2cc(C)cc(C)c2)cc1	59647424	RFQBMBJRUNQHBP-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
CCCCSc1nc(-c2ccccc2)nc(O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	96022906	VHGOCGSWNJMKDI-UHFFFAOYSA-O	521.646	6.361	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(SCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)n1-c1ccccc1	98045816	SWUHZNMPIYUXAY-XKJRVUDJSA-N	722.363	5.411	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	100062263	UFXCOHXNLNJGJG-KKMKTNMSSA-N	569.226	6.258	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)c2C)c(C)c1	100119705	JZRXNHFXMHJQQV-HNSNBQBZSA-N	556.732	6.058	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)Cc2ccccc2)cc1	100129201	XGWSSEQAFMPHMP-KYHGBAKBSA-N	583.541	6.051	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)cc2)CC1	100290329	FKZVNMFZFDMSAT-JEPNHJGPSA-N	590.555	6.496	50	40	KKGB	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4s3)c2)C[C@@H](C)O1	100900622	GRCHLKQVNWMTCX-DCISRPNSSA-N	581.723	6.011	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2ccccc2Cl)s1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1	100991379	FULJGPUDWKUEIO-RAMZYJDASA-N	557.100	6.452	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1I	100992012	VERSEDZKBDCHMS-FMIVXFBMSA-N	519.682	5.658	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I	101749180	KKSSSGSIUKOIHM-MZFJOGFUSA-N	587.417	5.128	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OC(=O)c1cccc2ccccc12	102230203	CNTWHCNUKYQNST-XSFVSMFZSA-N	586.398	6.674	50	40	KKGB	
O=C(N/N=C/c1ccc(OC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1)c1ccncc1	102416500	JADWGOXATXZZGT-DZMLMSFMSA-N	533.415	5.700	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)c1ccc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1	102512666	QPLKZPTUMFSLFP-IXDWGBGWSA-N	548.010	5.936	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	104401964	OQHIJELGDPRXOM-BRJLIKDPSA-N	610.202	5.313	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	105200832	UGXQGQNAWWMIRH-XDHOZWIPSA-N	530.249	7.443	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)Cc1ccc(N(CCCl)CCCl)cc1	118932783	CEEWUMMLYHIYAH-IJSUORRQSA-N	588.616	6.774	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408531294	NQXMUISYQNVQSU-MPRHAZATSA-N	605.238	6.925	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)ccc1OCc1ccccc1	408538733	PXWMLQZXEAXMLR-OYKKKHCWSA-N	607.921	8.749	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408542030	JFFPPAARSFXRRZ-XKZIYDEJSA-N	574.374	6.267	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551031	JBVPSRUMEHPTPZ-QDTIIGTASA-N	565.251	5.936	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408579834	KFZMUCXOHSJWJY-VXLYETTFSA-N	545.760	6.295	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408609892	SKOHBKHULYCPMZ-SFHVURJKSA-N	544.435	5.476	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)c3ccc(Br)cc3)c2C)sc2c1CCCC2	408742177	NPAKWQQUIZDCEX-XSFVSMFZSA-N	509.469	7.038	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1I	408746478	DORLERJRJIITAG-IPBVOBEMSA-N	711.121	6.563	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1	408751647	BBJNDHUQMRTXRS-QGOAFFKASA-N	527.396	5.080	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408774045	NZMSGGMQHXPXAA-KBVAKVRCSA-N	584.016	5.420	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408781273	BQFHLBYAUSLSAO-JMIUGGIZSA-N	574.302	7.896	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)c1	408787537	BMBJPVJRCODLHF-BUVRLJJBSA-N	558.419	7.186	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c(C)c1	408789956	SVMRDVXZNGRDRX-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408790950	ZOEXNDVMUBPLFZ-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1	408791962	FSWMDTJDIAUJTK-VCHYOVAHSA-N	560.231	6.667	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Cl)c1	408794985	UHTYEVARJZBJRH-FYJGNVAPSA-N	564.810	7.222	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408796566	PGSIYYDSOONGTR-VCHYOVAHSA-N	560.231	6.667	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408797020	QRQNKADAAOKHMN-RQZCQDPDSA-N	562.247	6.985	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c1Cl	408818791	OXDUDUXPSBRBFH-JQAMDZJQSA-N	620.081	6.501	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408826400	GJEZQNBBQFKFDG-NNLKUIAGSA-N	719.285	6.282	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1OC	408826642	IHTCGIZONAZKKO-LALXJTNGSA-N	785.728	6.336	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c2ccc(C(C)C)cc2)cc1	408831483	QQSDOHGBYBMOPF-GUBAARJWSA-N	626.779	5.202	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408834388	YRRHFGGYPMFTMV-KVSWJAHQSA-N	568.320	6.894	50	40	KKGB	
O=C(NNC(=O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1)c1ccc(Br)cc1	408843497	LRQRBZNJDSKBCO-UHFFFAOYSA-N	607.711	6.407	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1O	408851417	JWBGCGKXJALIMP-YXSASFKJSA-N	502.546	5.089	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1cccc2ccccc12	408851541	CNKBHXZVAALGJM-HYARGMPZSA-N	500.957	7.156	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1	408852348	SQIBMNGKDQKJFW-WBIBEUCMSA-N	572.467	8.242	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408861123	NOKWXCGMFABVEI-ATZGPIRCSA-N	677.404	6.689	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408862001	HGWKVAYGQHNTJS-YPXUMCKCSA-N	584.323	5.993	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc(Br)c1OCc1ccccc1	408871309	ZDBULQGKDYWCRW-PLRCZUKZSA-N	630.564	6.575	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1Br	408878554	BVKWJPPNAWIKTK-LICLKQGHSA-N	623.672	6.840	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1	408881242	KLPFNGPEHHXAAI-XDHOZWIPSA-N	518.482	5.035	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	408882899	ONSKBNCEVOEYNB-FYJGNVAPSA-N	551.362	7.746	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408887796	QXVCOSFYRNUUNS-VCHYOVAHSA-N	531.417	5.932	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OCc1ccc(C)cc1	408892374	YZKCEFRBGPFERG-MUFRIFMGSA-N	550.396	6.104	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1c(Cl)cccc1Cl	408898580	XDVQTTYEQCXVME-SFQUDFHCSA-N	511.361	6.215	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408904945	QUXZCYRSDYLNHE-NUJZUDFISA-N	665.326	6.242	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(Br)c1OCc1ccccc1Cl	408923098	JFCIWXMDKIHBFC-OLDUKCEXSA-N	715.985	5.419	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1cccc(C)c1	408924219	MABJJTRFZZUBOL-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408937551	GUSRVCIUZUTGON-UHBFCERESA-N	501.970	5.642	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccc(F)cc2)c2ccccc12	408943733	IDSSYZNFCDKEPB-HKBQPEDESA-N	613.715	5.022	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1	408946627	PGMXCPJWGNSPPS-LRIZEKIPSA-N	614.543	8.711	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(OCc2ccccc2)cc1	408948821	HBBRSYSRSNVBHA-USHMODERSA-N	514.629	6.420	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCc2ccc(Cl)cc2)c(OC)c1	408950683	HIWLHGOSSJOHSN-OEISHWKDSA-N	715.985	5.419	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c(F)c1	408966613	MNJXUPHJYQEHNA-KKMKTNMSSA-N	531.179	5.565	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCCOc1cccc(C)c1	408969942	XIYKUGYOVAYRLW-HZHRSRAPSA-N	535.438	5.837	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc(Cl)cc1	409000013	WOVABZVGMZXBHW-WKULSOCRSA-N	566.795	5.931	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Cl)cc1Cl	409011163	DYUCTASQBKPSTR-JXPAXDCPSA-N	519.256	5.749	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	409012906	JELKYNHESKSNPK-DQBQHLRUSA-N	647.353	5.422	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409014528	MTYZKUUTGMNQQV-RRJMVXNGSA-N	665.445	8.301	50	40	KKGB	
N#Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2[N+](=O)[O-])cc1	409031900	BIJLPQYARQMYHR-FABQOPTDSA-N	606.436	6.787	50	40	KKGB	
Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4Cl)c4ccc(C)cc34)c2c1	409040316	YHBDFKWCRXXPLG-GZOMZLSJSA-N	591.542	8.901	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409042672	CCXOORJYTKTMJT-FJEPWZHXSA-N	611.290	6.133	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409068727	UYTDIBYHCMWFFZ-KGENOOAVSA-N	503.942	6.110	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409086807	RTFOJHDKDSISTK-VHFSBPNMSA-N	763.373	7.246	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(Cl)c1	409118168	ZCHMCBDGHSASCT-XZYGTATASA-N	656.132	5.820	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409119358	TYXWEBGQPREXHO-FDAWAROLSA-N	609.060	5.703	50	40	KKGB	
CCc1ccccc1NC(=O)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409187361	PKSJKLQJKMTUJT-WGARJPEWSA-N	531.248	6.509	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(I)cc1	409196258	YBZPHKUTZRSRGJ-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	409208173	BOPLLWRXZSEVAG-RWPZCVJISA-N	526.014	5.807	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCC(=O)Nc1ccccc1	409209955	JXHGWSGFEZHNLI-UVHMKAGCSA-N	562.873	5.371	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)n1	409221436	QGQHRYXSVWWUDQ-WCMJOSRZSA-N	524.650	5.194	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccccc2)cc1	409225384	PTZOBBGDMGHZJV-JOGACEJJSA-N	503.986	5.707	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1ccc(F)cc1	409237285	JGAQTEAQGAKHSR-KKMKTNMSSA-N	547.450	5.215	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccccc1C#N	409237355	TYNWDQVNWBFOQP-FDVSRXAVSA-N	510.363	5.130	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)ccc1OCc1ccccc1	409252904	FJPSDHKSHMKAFZ-GXBUFBABSA-N	551.643	6.063	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl	409260974	ZDOBRQJEIPDVBR-LFIBNONCSA-N	500.769	6.210	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409263138	AJARRXOZSCXSJC-ZZUCRVHTSA-N	591.289	5.847	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409314526	RRWKPSVAPJSWFN-FZPRHHONSA-N	656.904	6.884	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)ccc1OCc1ccccc1	409316353	MMDKYRMJFNREQJ-QHDYCIAZSA-N	530.624	7.160	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCCOc3ccc(C)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409317299	OUOPSPWCEZLWLN-NHCUHLMSSA-N	535.449	5.251	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OCC	409325922	CZKGWWGSQZDTOU-LJUMEUDFSA-N	681.365	6.983	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409334786	ISMSASGZKJDPBZ-VPUKRXIYSA-N	647.216	7.490	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl	409371782	OGIQKDRSMVNZRD-NVMNQCDNSA-N	546.748	6.505	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccccc1OC	409376688	CPKUMMJVFBMFQQ-CPNJWEJPSA-N	539.510	5.676	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(Br)c1OCc1ccccc1	409383853	LKKVOYCAOGSXTG-JFLMPSFJSA-N	513.388	5.208	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(I)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	409387924	YNDNBYVPFHJGQD-KVSWJAHQSA-N	708.275	6.233	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cccc(F)c1	409389092	AIEKNKSRQFEPME-ZDLGFXPLSA-N	500.267	5.982	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409396464	YPBQYHMGFASCRB-UHFFFAOYSA-N	788.190	7.856	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409399113	XVGBXPKCVWRMKY-UHFFFAOYSA-N	572.448	7.524	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1cccc([N+](=O)[O-])c1	409401949	ITLXTUHHYFIADP-RODHXAHZSA-N	707.965	7.942	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCc1ccc(Cl)cc1Cl	1529548494	HMKDJPKXIPITCA-VOSMKULASA-N	783.472	6.071	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)sc2c1CCCC2	1189093	GDSIXKAKVHGIMV-HKWRFOASSA-N	503.624	5.765	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1	1785995	VUPNMGJMTBHWIO-LGJNPRDNSA-N	527.393	5.392	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1	1790536	PTCLYKAUSAJNQG-WTALZMIHSA-N	528.848	6.712	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1	1850784	XPLUEOXCNRKBJS-KBVAKVRCSA-N	592.563	6.554	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cccc(Br)c1	3113405	OYIKMTXVPGYQTB-ZCTHSVRISA-N	559.416	5.063	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196243	JHKRKDDLIZLXHG-GIDUJCDVSA-N	558.086	8.714	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCC)cc3)cc2)sc(C)c1C	6167400	KEIBLAGVNHIAKL-DSWROXKMSA-N	537.638	5.110	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	8411353	CYZAHBPAWCGUHG-RUZDIDTESA-N	549.578	5.807	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1C	12251108	KSFDZZHUJMEIHV-AREMUKBSSA-N	516.066	6.755	50	40	KKGB	
COc1ccccc1/C=C\C=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1	12285135	NPARJZUUWNBRIG-CGZGEQNDSA-N	510.063	6.020	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1cccc2ccccc12	13614747	CPLUOYRXOOBCAF-HQROULQYSA-N	521.455	6.466	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1	16739771	OLDABUQTMXZXCX-UDXHRHDRSA-N	512.418	5.638	50	40	KKGB	
CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1	20169099	LWOQKSBHEKKSOI-XNTDXEJSSA-N	515.374	5.996	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccccc1Cl	58913735	JORPZGQOELCCCT-OCSSWDANSA-N	500.986	5.415	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCCCCCCC1	59435899	CUGKJAJPEBLDBE-UHFFFAOYSA-N	532.150	6.350	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccccc2)cc1	59888653	KDPGVSUPKXRPSN-RUMWWMSVSA-N	537.641	5.737	50	40	KKGB	
COc1ccc(-c2c/c(=N\NC(=O)CCNC(=O)OC(C)(C)C)oc3cc4c(cc23)CCC2(CCCCC2)O4)cc1	60045104	OYCUEJGAYAOBOR-OZMGXUMRSA-N	561.679	5.983	50	40	KKGB	
C=C(c1ccccc1)c1ccc(/C(=C2\N=C(/C(c3ccccc3)=c3/cc/c(=C(/C4=NCC(C#N)=C4C#N)c4ccccc4)[nH]3)C(C#N)=C2C#N)c2ccccc2)[nH]1	95100378	PDZCYRHHZLACTR-PYYNFNRTSA-N	730.835	7.859	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	97960641	FJWSRJLZPNNTIR-ZVHZXABRSA-N	684.315	7.736	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3ccc(Cl)cc3)s2)C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	98006243	GAPZCTJVQAJRHE-OAQYLSRUSA-N	551.053	5.697	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1Br	100056780	IITGPVIKDVJBIL-UVHMKAGCSA-N	543.215	5.191	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)ccc1OCc1ccccc1	100852471	PCJCKWHDNYWJGJ-KMUKQRDJSA-N	624.788	6.464	50	40	KKGB	
Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)oc2ccc(Br)cc12	101394485	BPFLBLUCEOKKRX-JOCHJYFZSA-N	553.771	6.734	50	40	KKGB	
O=C(NC(=C(Oc1ccccc1)Oc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	102628492	YAWDVFBOFWUQJI-UHFFFAOYSA-O	592.655	7.695	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N=C2CCCC(O)=C21	102873517	NOEDJZQEXRAUJX-VWLOTQADSA-N	508.043	6.688	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1cccc3ccccc13)N2	102975285	HATBGVIBXSBWJO-LQCDUWKQSA-N	529.061	7.989	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1cccc(Cl)c1)=N\NC(=O)c1cc(Cl)ccc1O	104316903	SUNYWTVNZMNDGK-ADZZFNIUSA-N	548.434	6.517	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc([N+](=O)[O-])cc1	107989411	ANVVUUOGMLYPPD-DEDYPNTBSA-N	528.590	5.930	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)CC[C@H](O)C[C@@H]2C[C@H]4O)ccc1O	118917136	ACWUUWIBURCOOJ-VOVOKZEESA-N	540.745	5.258	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](Br)C(=O)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C	118923344	QPEUNNHJRQSZCH-LEVDBWGQSA-N	544.456	8.424	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](OC(=O)CBr)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C	119084907	KHVIWBCFNVESQF-FUSYAKOJSA-N	507.597	8.024	50	40	KKGB	
CCCOc1ccc([C@@H](O)[C@@H](CC[C@@H](CN(CCCl)CCCl)[C@H](O)c2ccc(OCCC)cc2)CN(CCCl)CCCl)cc1	150405651	VOTQFRADSFRZND-XITCCLNHSA-N	694.612	7.603	50	40	KKGB	
N#CC(C#N)=C1c2cc([N+](=O)[O-])cc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]	150481130	IQNLDRPJKZUAEP-UHFFFAOYSA-N	639.299	5.866	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408538097	JADBCRGMZBOSTG-RYYXGZFZSA-N	798.159	10.299	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C	408546100	DCUGDQLKSRISEY-UYRXBGFRSA-N	539.610	5.027	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)c(C#N)c1C	408546906	ORSRMCYLCFDQBT-RGVLZGJSSA-N	504.995	6.056	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccc(Cl)cc1	408554146	QLMGZSJWPBDFNE-VCHYOVAHSA-N	582.907	7.048	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408566582	HTWZLLMQIYEUDS-LUOAPIJWSA-N	583.222	6.024	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408637721	AVVLIBVWBWUUFZ-SEXKYXSUSA-N	647.147	5.164	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408659603	WBNNJQSJLFTESK-CPIJNGAXSA-N	702.183	5.264	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1	408725889	QRDPAKBRURSOOF-QCFMCPCVSA-N	522.608	7.035	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(Br)c3)c2-c2ccccc2)cc1	408741558	QPQJIMAYITWXEV-FADJLKOXSA-N	592.493	7.514	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408744006	JCTCBYCJHRERON-SXGWCWSVSA-N	553.325	5.921	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408745599	TZPKJQRANGZZHS-ZDLGFXPLSA-N	576.274	7.288	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1	408747010	XWDKKXWFBRNKJM-HAHDFKILSA-N	527.418	7.126	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408754118	IOEMUSLLKDDVFX-PXNMLYILSA-N	520.185	7.020	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl	408772534	MPIDRHLMRLDURB-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(C)cc2)c1	408784442	SPJDSTUNOAOUPQ-FMFFXOCNSA-N	567.667	5.664	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc([N+](=O)[O-])c1	408788378	JTNSULRDMNEZLZ-VCHYOVAHSA-N	512.349	6.425	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408792489	AILLVRMPXVATQO-SFQUDFHCSA-N	502.195	6.881	50	40	KKGB	
COc1c(I)cc(I)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408792743	CGFPHHLYGSHKKF-WUXMJOGZSA-N	578.575	5.412	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1C	408793789	GGSUYCDGDZIXHL-VXLYETTFSA-N	652.245	6.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408793995	RBWIBNIGJOYIKG-RGVLZGJSSA-N	580.391	5.667	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(I)cc1	408798064	UDFSRXVXFFQGRO-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(C(=O)O)cc1	408798240	VHLDYJJWUMWBTR-DJKKODMXSA-N	555.812	6.242	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408800090	KIZURQFSVFFGJX-NLRVBDNBSA-N	579.483	8.850	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OC(C)C	408807518	CXFVEQMCZUFEMV-VIZOYTHASA-N	510.759	5.595	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNC(=O)OCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408818312	ZYNNVAFVDVOLRY-PNQUVVCRSA-N	550.826	5.611	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408818736	QJMMEXNRIYNXAK-RGVLZGJSSA-N	588.829	5.764	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	408824464	QKDIIBIREPSNHW-DEDYPNTBSA-N	555.856	7.025	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OC(C)C	408825850	JTLAITUXEGYSHZ-UDWIEESQSA-N	555.856	7.023	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408833967	UCLHENPMKXJOEC-OVVQPSECSA-N	623.934	8.959	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408839038	LYGJTBFBEQAVFS-AABVJFSESA-N	667.368	8.206	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1cc2cc(Br)ccc2o1	408844907	JBVWKUGYSSXJPI-FXMZOFOKSA-N	719.086	6.887	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408844962	DQRKJSKOCOELMC-ACXHZZMFSA-N	523.416	7.210	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)c(Cl)c1O	408845233	LPNNXZVGNKSQAE-FDVSRXAVSA-N	538.829	6.347	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(Br)cc1OCc1ccccc1Cl	408845656	LBEIIXVSMIKHRK-OKCVXOCRSA-N	537.841	6.997	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1	408860061	XQWSXEKHXJIEMP-MBTHVWNTSA-N	553.254	6.447	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408864512	WPGPMNREMYGDPG-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1Cc1ccccc1Br	408865732	DNDOXOKBNDNWBX-RGVLZGJSSA-N	601.282	6.816	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408870245	UCVANDKTFZFQOE-JJKQSNDFSA-N	577.934	6.032	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)cc1	408889509	DIXVVUIRFKMCOF-DEDYPNTBSA-N	525.424	5.688	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccccc1	408889952	LQAUPKIGOXZVGQ-XDHOZWIPSA-N	521.367	5.671	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OCc1ccc(C)cc1	408890228	QAYRXMIIBKPIAB-RGVLZGJSSA-N	572.830	6.695	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1	408895074	LTZLHVNMAUEYGF-MHWRWJLKSA-N	512.305	5.675	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408899443	PGDOEEBVOCHQTF-MTDXEUNCSA-N	523.998	5.061	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905057	SNIBYAXYMFMMGI-BCHBDCPOSA-N	793.093	6.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OCc1ccccc1C	408921843	CKWDHPVRATYKGN-YBFXNURJSA-N	607.275	7.430	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1	408947457	NRPSSPVOQRUGRD-LJAQVGFWSA-N	682.155	5.111	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408959943	AXDZODXRKXDTEC-XODNFHPESA-N	537.912	5.434	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408968877	CJFSZNCFEZVJKE-GPBCMOQFSA-N	651.385	6.198	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl	408968923	CVFVXTPDIAFHAT-LJIPQTTBSA-N	625.380	7.328	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccccc2)cc1	408979306	MJSKBXYXNZMAQP-LAVRQYKWSA-N	577.706	6.287	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993887	XUFMSHQFNYMJNB-ORBVJSQLSA-N	621.540	7.523	50	40	KKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)c2ccccc21	408997318	FGMHUUHPFMICNG-CCOBIQQASA-N	687.563	5.206	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1	408997933	PHBWTHWTXNSFAR-KBVAKVRCSA-N	532.383	6.229	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409002582	VGMPPQXTGAVIFX-IPBVOBEMSA-N	601.122	7.178	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409005996	GWAXCRSQESFJLO-LQNQUEJISA-N	603.763	7.733	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=N\NC(=O)c1ccccc1	409006546	OUJHRPIPBGBNRH-JJZMTMCSSA-N	535.512	5.197	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(Cl)cc5Cl)(c5ccccc54)[C@H]3C2=O)cc1	409042821	XWIAXIWXLXEYAN-VRVLYOKKSA-N	624.524	6.749	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409072598	TUGIBGBLFLIMTR-OQLLNIDSSA-N	537.808	5.969	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409080087	LCNJSRBNDGAXSF-XNTDXEJSSA-N	517.847	6.614	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)c1ccc(Br)cc1	409081040	JIQDYAJLMIHXEB-RAWMCFOBSA-N	679.065	6.140	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1	409145726	PLBQHCCCKTVHQG-JFLMPSFJSA-N	548.808	5.615	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1c(C)cccc1C	409160171	SWXYFKOAUOQVSE-VFLNYLIXSA-N	571.859	5.134	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)c1ccc([N+](=O)[O-])cc1	409199715	CVFOFYYXFYGXNW-WQRHYEAKSA-N	500.267	5.982	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OC)c1OCc1ccc(Cl)cc1	409202542	RDIGROLHSGVCDF-WKULSOCRSA-N	515.462	6.552	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)ccc1OC(=O)c1ccc(OC)cc1	409219841	VLWKFMCZPWRPLS-UHFFFAOYSA-N	567.598	5.338	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409224101	JBEKOWLYIRZQIL-UHFFFAOYSA-N	606.513	5.858	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1cccc2ccccc12	409233860	IDOHZJRUEMRIOC-FJEPWZHXSA-N	579.520	6.229	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409234239	JJCAFFTXUJZWCY-HMAPJEAMSA-N	550.409	5.601	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409248380	FYFMUPJBUYJZCP-ODQASSKESA-N	681.001	8.304	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1	409256401	KXCGVGHJPGZFPU-VMCRYMNPSA-N	526.420	5.474	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)ccc1OCc1ccccc1	409264724	PRRHMSBCESRNAR-VHFSBPNMSA-N	620.533	7.369	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1OCC	409320019	OROKCXIKWSMZTG-MNDYBZJGSA-N	608.302	6.881	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OC	409323702	PFSLATZDAGXOEY-ZMGVVAQMSA-N	586.472	6.055	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	409373209	OPOXOIOOTCTVTG-ZRGSRPPYSA-N	581.648	6.045	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409375960	RKEWVDVNAVTIJA-RPPGKUMJSA-N	568.266	5.071	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)Sc1nc2ccccc2s1	409383771	GHUMGALQZQHLAV-WOJGMQOQSA-N	558.320	8.057	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)cc1	409394501	BESCYCAIFNXJNW-UHFFFAOYSA-N	773.219	7.956	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409396208	XBPUVPWGJPOCMJ-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396801	BIVQXWZRUSNHCZ-UHFFFAOYSA-N	666.450	7.617	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398518	UFJGRJMYCYOJIZ-UHFFFAOYSA-N	662.526	7.549	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)c(-c3ccccc3)c2c1	409398888	WEVMQFFBPCUKTI-UHFFFAOYSA-N	547.611	6.534	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4Br)c(Cl)c3)o2)cc1	409405134	SGIFTXKGAFPHTA-RODHXAHZSA-N	711.838	8.787	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(I)c1OCc1ccc(Cl)cc1Cl	661035	AKENJNUNAYUHSP-IBGZPJMESA-N	583.213	5.435	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	1870175	WLFMZIXIJGWRNQ-QPQMVVSWSA-N	502.527	5.107	50	40	KKGB	
Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1Br	2111301	SXDUANYIVJTXFZ-XMMPIXPASA-N	507.428	6.096	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1[C@@H]1C(C#N)=C(N)OC(c2ccccc2)=C1C(=O)c1ccccc1	2178045	RIGZOVMEKUESTJ-JOCHJYFZSA-N	580.276	6.712	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1c(O)ccc2ccccc12	2356923	ZQGMRRWYQFLRDN-MZJWZYIUSA-N	516.673	6.085	50	40	KKGB	
O=C(N/N=C/C=C/c1ccccc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1	3765378	LKXQFYNEXHRTHS-TVGNPFPGSA-N	517.536	6.597	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@@H](c3cc(Cl)cc(Cl)c3N[C@H]2c2ccccc2)[C@H]1Cl	8425536	LGHJZYDFGCMCGW-KMRIWGIYSA-N	505.854	7.940	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccccc1O	9015831	JHKCVNCRMAUBAN-TWKHWXDSSA-N	513.667	5.878	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C/c3cc(Br)c(OCc4ccccc4C#N)c(OC)c3)[nH]c2c1	9263537	WUBZYOHJJFXIGB-DJKKODMXSA-N	515.367	5.857	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3C)=C(C)N2)c1	12250347	XZUMGIBMIULNJS-AREMUKBSSA-N	514.607	5.303	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	15227553	LMRZWPLZEBRKOJ-YABZZONLSA-N	508.441	5.030	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1F	59333026	YOBWKSJVAZMGGC-JCMHNJIXSA-N	505.977	5.322	50	40	KKGB	
CCCCCN(CC)c1ccc(/N=N/c2sc(C=C(C#N)C#N)c(-c3ccc(OC[C@@H]4CO4)cc3)c2C#N)c(C)c1	59608341	DSZKYFQAVNNUCY-AKQCIOOCSA-N	564.715	8.235	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1cc(-c2ccc(O)cc2)nc2ccccc12	97965884	FDMMLKMTWANTRY-RQRWGXNHSA-N	564.567	7.393	50	40	KKGB	
O=C(N/N=C1\C(O)=Nc2ccc(Br)cc21)c1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C3/C(O)=Nc4ccc(Br)cc43)cc2)cc1	97983263	ZPNFJWNGCWRDCG-AQOUDTPCSA-N	804.408	5.840	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(=O)OCc3ccccc3)=C(C)N2)cc1	98048731	UVZPYEHOKFGKOY-LJAQVGFWSA-N	558.103	6.714	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	100125664	XFKWBDQAPFUSEK-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100125765	PMUPBYXXLMGHDA-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	100379056	XKFRJIGJRBIMBD-BIZUNTBRSA-N	542.060	6.377	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	100958518	PHDSYADKPRBNFH-NHAAXFBTSA-N	582.701	6.112	50	40	KKGB	
COc1ccc(/C=N/Nc2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	102616497	DYCNIKPFJCGPRV-LZBRRTOVSA-N	554.610	6.416	50	40	KKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(C(=O)OCC)cc3)C(=O)N2c2ccccc2)cc1	102666588	OFVAYDRHGRBURF-MYBLTPEZSA-N	553.684	6.271	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccc(Cl)c(Cl)c4)c3C)sc3c2CCCC3)cc1	103868699	HJPLDKIPIIVLOH-MHDJOFBISA-N	579.553	7.666	50	40	KKGB	
C[C@@H](C/N=C/c1ccc(N(CCCl)CCCl)cc1)/N=C/c1ccc(N(CCCl)CCCl)cc1	104077945	MJQAOIFNPCAOCI-IKXNEHCYSA-N	530.371	6.181	50	40	KKGB	
CC1(C)O[C@H](CP(=O)(c2ccccc2)c2ccccc2)[C@H](CP(=O)(c2ccccc2)c2ccccc2)O1	104224847	KZUJPJPWSHHJRQ-RNPORBBMSA-N	530.541	5.535	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccccc2)cc1	105410420	COWPPCBCDBNHDM-QNKGDIEWSA-N	591.089	5.337	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	112255668	YIORIAVNVQUTIB-XODNFHPESA-N	581.250	6.335	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	150364277	UQDBUYQEJPEVGN-LGUSAWBASA-N	640.126	5.844	50	40	KKGB	
Cc1ccc(N2C(=O)/C(=C\NNC(=O)c3cccc(NN/C=C4/C(=O)N(c5ccc(C)c(C)c5)C(=O)c5ccccc54)c3)c3ccccc3C2=O)cc1C	150600818	AZNLZLZAFQEWJA-SICUIBCUSA-N	716.798	6.527	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)c1	164701287	QMXKNAMSELWDLB-HAHDFKILSA-N	689.335	6.039	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795336	OCIOQKDLJBVUKV-AOOOYVTPSA-N	630.086	8.110	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408548093	DHDJNEBIOMXCRH-YVNNLAQVSA-N	586.256	8.403	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408567483	NTNGVHOLZBMIIU-SXGWCWSVSA-N	574.191	6.712	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	408583001	QQCQWVBTFNIILP-YDZHTSKRSA-N	577.418	7.113	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408601281	ARFTYEOWRUFLNY-QGZVFWFLSA-N	532.399	5.606	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccc(N2CCCC2)cc1	408676292	HHPUAISMKYLFGW-JVWAILMASA-N	570.387	5.143	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(Br)cc3)cc2-c2cccc3ccccc23)cc1	408726002	RHMFBBCDFSWQBR-UXHLAJHPSA-N	509.407	6.527	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	408726170	QNYPAVWWBPVAJD-MOSHPQCFSA-N	602.856	6.867	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(O)c(I)c1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408730462	GPEOBPWWCGBIOJ-FXMZOFOKSA-N	696.308	5.005	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1	408744785	MXLVBWREKXJHQA-UNOMPAQXSA-N	552.381	5.889	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408764169	WHGLFGHDTPBYIB-MTJSOVHGSA-N	596.275	6.763	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2ccc(C)cc2C)cc1	408773577	RLYLKYZTUHALFP-UZWMFBFFSA-N	555.656	5.177	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2cccc(Br)c2)cc1	408779869	MMYJTUHSAKJGLA-BIZUNTBRSA-N	586.511	6.410	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408782802	JSHYPHGRNPMSCD-BKUYFWCQSA-N	552.368	5.676	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)cc1	408790682	QUPNKPZFYMUTMM-CIAFOILYSA-N	614.411	6.130	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc(Br)ccc2o1	408807568	CRQYYJVFVDTTSN-BCHBDCPOSA-N	746.093	6.656	50	40	KKGB	
COc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC)cc2)S(=O)(=O)c2ccccc2)cc1	408822802	WZRUDOXCRRCIMQ-ZCTHSVRISA-N	608.514	5.626	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408829131	OAKHVMPFOFYNDJ-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1	408831875	POFILZPGQMERBR-BYNJWEBRSA-N	564.491	5.445	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Br	408843479	NAHVZIGWINTEOI-YPXUMCKCSA-N	606.262	6.522	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1	408845789	HLFJZSQZXUCNIM-WKIKZPBSSA-N	542.227	6.609	50	40	KKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1	408848382	UIQQWJZXWWEKTL-QHDYCIAZSA-N	544.655	6.801	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(Cl)cc1Cl	408850750	DRWQNWOZHGOMLU-VPUKRXIYSA-N	591.116	7.804	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408860494	WWTZIMJEFRGWRM-JOXMEQDKSA-N	666.121	7.745	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408867080	JFJQNLSEZDBSOC-HAVVHWLPSA-N	511.419	7.289	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1Cc1ccccc1Br	408872203	BBFAUQXZVQHYJH-UDWIEESQSA-N	509.831	6.946	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Cc2ccccc2Cl)c1	408874530	DELZKAJKSIRWLE-YZSQISJMSA-N	509.005	7.064	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408876143	NLGPCRYDPGVIDG-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OS(=O)(=O)c1ccccc1	408879495	GMNFTWHJRRGBIX-MTDXEUNCSA-N	615.449	5.012	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl	408886129	IFYCBXWSKYSTFT-VIZOYTHASA-N	571.085	8.187	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc2ccccc2c1	408894614	IKNRVEPVMSIWQO-YSYOEVFLSA-N	683.550	8.492	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1cccc(C)c1	408908465	CQYIZOIFJVGAEW-FMFFXOCNSA-N	573.487	6.121	50	40	KKGB	
Cc1ccc(Sc2oc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc2Br)cc1	408908697	CUPSWQWCSLQAFD-VROXFSQNSA-N	514.228	6.338	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408920995	ANDLJOOAIRHYRI-MWBNBJEGSA-N	632.060	6.292	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc(Br)c3)c(OC)c2)c(OC)c1	408922010	DIQBBUOCPQEVMB-OLDUKCEXSA-N	807.436	5.370	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(C#N)cc1	408945167	KIEKIRLVNPPTSN-NDEPHWFRSA-N	652.560	5.329	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1cccc(C)c1	408949383	HXGZGSHMLBFFPW-QRVIBDJDSA-N	544.449	6.092	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccc(C(=O)OCC)cc2)c(OC)c1	408950807	HQXBQGCJZYSBFO-KUSRIXJQSA-N	758.022	5.587	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2cccc(Cl)c2)c(OC)c1	408952534	KQCJONJLTHOGIR-VVYBVRPNSA-N	720.404	6.064	50	40	KKGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408971556	IYBMLENESQHCLF-HACRQCJISA-N	562.881	5.691	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1	408974805	HBLDMMJRUQSISN-XBQJKBNESA-N	539.635	6.800	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	408989933	JLMZOIMVQGIITA-SDNWHVSQSA-N	501.545	5.311	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1O	409013282	MPZFUHNRGYPRFZ-QPSGOUHRSA-N	593.997	5.041	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc1Br	409014579	NBTJKHLKPUDEMU-OFGWUUMASA-N	609.359	5.453	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409015332	OSOURCYKWVPUCV-BBPHXPRPSA-N	530.452	5.930	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccccc2OC)cc1	409025035	KJEXGSUPKFGOQR-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2I)c1	409033223	OAMKMJGLQSSTOV-HQDYHJHZSA-N	676.352	7.920	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1cccc(Cl)c1	409034496	NZGIJADPZNVNBR-MWBNBJEGSA-N	617.558	8.602	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc2c(c1)OCO2	409039138	QOQRFTTXBXSTKF-OHUYPAJKSA-N	531.568	5.982	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1	409051542	DXBPMJDZCLNPIO-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OS(=O)(=O)c1ccccc1	409066586	PBLRASCCJSCDIC-LTGZKZEYSA-N	523.010	5.781	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409068951	SXAOSCBRAKSRLQ-XDHOZWIPSA-N	589.895	6.431	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409079209	KMKGAEOWXJROBL-OVCLIPMQSA-N	543.319	6.546	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409092007	SFDYBXLRYSFVIQ-QDTIIGTASA-N	583.253	6.648	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccccc1	409145694	PCNRYHAZZOXLAH-LGJNPRDNSA-N	595.231	5.501	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccc(Cl)cc1Cl	409147033	UWMVYRQQDMYUPV-QFIPXVFZSA-N	595.220	6.109	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1	409152559	FVFSELLDSVRDEW-KLPHOBTLSA-N	583.350	5.127	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc(Cl)cc1Cl	409187610	SKQAPACUKOYKOV-SXGWCWSVSA-N	538.066	8.162	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409224306	JZBOUAPYMPUSOO-UHFFFAOYSA-N	666.282	6.355	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409237262	HNQNLIXPPYOBSS-VYYCAZPPSA-N	530.350	5.167	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409246531	CKVDUKBOTFNWGI-MFOYZWKCSA-N	614.245	8.298	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409253991	CSONZEFGJOCWFW-SXGWCWSVSA-N	530.795	6.219	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)c(C)c1	409258746	VEZYJSFPRBREJG-UDWIEESQSA-N	506.356	6.056	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1	409270906	RWPGNUXQGKJMBO-GIJQJNRQSA-N	651.277	7.410	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1OCC	409313209	OVACFPIOFBDTHV-MWLSYYOVSA-N	545.861	6.633	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)NC(=O)C[C@H]1c1ccc(Cl)cc1	409315576	NTEMCMOMBDCJLF-AWEZNQCLSA-N	500.329	5.723	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(CC)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409317557	VIYIQQAXKLINJE-FGZHOGPDSA-N	562.475	5.064	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1OCC	409320775	FCIGMLFTQXPWSW-RGXNXFOYSA-N	510.590	6.155	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	409322930	LWVNRFOQFCWSFO-LJUMEUDFSA-N	590.430	6.288	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409331934	INPCLVSRNBVEAG-PMACEKPBSA-N	613.317	5.264	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OC	409332838	NBVPFOUXGJNDND-LJUMEUDFSA-N	554.043	5.626	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4ccc(F)cc4)cc3Br)cc2c1	409336192	MEFQHRKCZZSCPC-MNDYBZJGSA-N	555.400	6.475	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409358946	HYWUHGQETWDWIM-QDTIIGTASA-N	536.253	6.345	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(OCc2ccccc2F)cc1	409371812	IJTVLDHPXDIWIQ-LQNQUEJISA-N	500.530	5.413	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1F	409372367	WUNDCANBCXLVEP-NDENLUEZSA-N	537.226	8.147	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc(C#N)cc1	409373152	QZRVAFBRSCKABO-OCKHKDLRSA-N	622.631	7.064	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC	409378016	LOLSDJKULXIADX-NDENLUEZSA-N	564.436	5.646	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)ccc1OCc1ccc(Br)cc1	409383814	IUYSKZWQRBTTAB-JFLMPSFJSA-N	513.388	5.208	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cc(C)n(-c4sc5c(c4C(=O)O)CCCC5)c3C)oc12	409385477	KTYPRWMYUUZYLP-KKMKTNMSSA-N	536.566	5.160	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409392884	STHOXHOOZXYYDF-XAZZYMPDSA-N	557.275	7.050	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395357	MQKHGCUJUYUWQY-UHFFFAOYSA-N	770.692	10.456	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccco1	409395717	QXKNAYMBHODMEJ-UHFFFAOYSA-N	562.807	6.827	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)cccc4c3-c3ccccc3)cc2OC)cc1OCC	409397824	OLJOALFEPVPJMF-UHFFFAOYSA-N	607.663	6.633	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(Cl)cc1Cl	409401165	GQAXAMNAJUKHOP-FRKGHFGRSA-N	758.440	8.919	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(Br)cc1	409406529	XAKZHURUDHWRFD-KOKCXWAISA-N	676.995	8.424	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	1529547068	IMNWORJJIUUKDX-ZBVWQCQISA-N	753.446	6.062	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Cl)cc1Cl	1529548488	HKRLIHQZABWNGM-JRUUSQMTSA-N	667.615	6.186	50	40	KKGB	
FC(F)=C(F)OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)SSC(F)(F)C(F)(F)O[C@@](F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F)C(F)(F)F	1565683405	TVPGQWQQYNGYCP-WDSKDSINSA-N	790.232	10.517	50	40	KKGB	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)[C@H](CCl)C(O)(O)C(=O)CCCCCCC/C=C\CCCCCCCC	1570003296	WAPCBCPPIHHTHV-FJUNQXLXSA-N	637.430	11.512	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3OC)NC3=C2C(=O)CC(C)(C)C3)cc1	1472097	FSRRIGPYUDXAHJ-RUZDIDTESA-N	538.069	5.794	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCc1ccco1	1477205	UUQKUOFDADBYEA-JJIBRWJFSA-N	535.003	6.588	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)sc2c1CCCC2	2156573	BYVBPMWNIWURPC-IPPBACCNSA-N	568.493	6.484	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1	2333075	VBUJOJCTWUIRTP-VULFUBBASA-N	526.847	5.593	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCCOc1ccc(C)cc1	4207644	SWKQSMUNCBSYNS-HMAPJEAMSA-N	538.438	6.695	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	6445663	WBPSLDSHGDXHBE-ZHYCKYNOSA-N	525.970	6.240	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc([N+](=O)[O-])cc1	9763124	OJFYKNIDIPFJDR-IWIPYMOSSA-N	509.638	5.524	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccccc3Cl)nc12	13810903	QACACJJIXZJXPE-QGOAFFKASA-N	512.374	5.440	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/C=C\c1ccccc1[N+](=O)[O-]	19850001	RTKWNLBGSIGBGZ-LOQODGMWSA-N	505.987	5.554	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	20348554	FLPBOJJEXNOYIR-DEOSSOPVSA-N	510.015	5.146	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(CSCc2ccccc2)cc1	59473479	UPBKKPARKYWPJW-FDAWAROLSA-N	501.051	7.116	50	40	KKGB	
CC1(C)O[C@H](C[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)[C@H](C[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)O1	95100332	YHICXBALOVINFF-PIYFIQLCSA-N	680.809	9.244	50	40	KKGB	
O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	95681823	NWDZSYHMBYNCRO-UHFFFAOYSA-N	710.099	7.534	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	97960766	AVUGSBPXNNKYMR-VULFUBBASA-N	554.532	7.870	50	40	KKGB	
N#CC(/C(O)=N/c1cccc(Cl)c1)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	97971136	CFXTYOHRRFSZPO-ARCUFYBBSA-N	528.848	7.361	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1OCc1ccccc1	100313676	YKTMPNPPUWZTDX-UCMJSZAQSA-N	563.683	6.073	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H](C)CC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	101784853	GVTSHFSFMMCUHR-CTOFZRSPSA-N	536.541	5.737	50	40	KKGB	
Cc1cc(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccnc2)c(C)n1-c1cccc(C(F)(F)F)c1	102941801	PMBIRELBAZOLNX-HAHDFKILSA-N	537.545	7.151	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\C[C@H](C)CC(C)(C)C3)cc2)c(Br)c1	102978993	LRKBRAIBXIMEBL-IAJFOSCOSA-N	536.308	7.031	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)c2C)cc1	103015766	WAPFVJJBNYHYGJ-HKOYGPOVSA-N	532.666	5.213	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OC(=O)c1ccc(Cl)cc1	104766397	KUPMADSBARVLSD-OCSSWDANSA-N	531.952	5.567	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)c1	105436780	ZOCAOTXVSZHSHH-PPOKSSTKSA-N	563.679	6.073	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1C#N	164745747	BDPLEDVLWVHYLE-GRSHGNNSSA-N	618.258	6.993	50	40	KKGB	
C[Si](C)(C)O[C@](CC(=O)c1ccccc1Br)(c1nc2ccccc2s1)C(F)(F)F	195568268	QIXSVPFIGXADMM-LJQANCHMSA-N	502.428	6.941	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408570506	WCEFGVUBSOXUCU-VFLNYLIXSA-N	612.398	7.343	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408580743	RNIGGIUCFMKFAD-VXLYETTFSA-N	651.726	7.496	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(F)cc1	408581681	YVFJMTGDXLTBSV-LZYBPNLTSA-N	554.186	7.389	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccc(C)cc3)n2)c1	408724091	FAUYTLYCPZTGJO-QNKGDIEWSA-N	516.601	6.296	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408725842	INFRKJGQBCYYRI-WEMUVCOSSA-N	540.645	5.059	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408744037	VYDKCYCXGCTZSC-HNSNBQBZSA-N	526.423	7.588	50	40	KKGB	
COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I	408744721	GRYNEPMXEXACLA-WDZFZDKYSA-N	564.548	5.103	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)ccc1I	408747975	WLGMPRNVKXRYKK-BRJLIKDPSA-N	657.202	5.156	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1cccc2ccccc12	408764841	NKMIIZNSEICPBC-PCLIKHOPSA-N	563.451	7.889	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408765746	XPCOIRCDYGTYBS-MFOYZWKCSA-N	546.646	6.990	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc2ccccc2c1	408765816	YFOAJZQYFKVMKK-FDAWAROLSA-N	509.403	7.098	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1OCc1ccc(F)cc1	408775441	HDFYVWRZTXHTGH-JCMHNJIXSA-N	566.471	6.958	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408787648	DBGZOSVLSUAXNC-SRZZPIQSSA-N	704.733	8.136	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(F)cc1	408788092	IGJQVEKTHPYGOI-UDWIEESQSA-N	509.375	6.420	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccccc1F	408791883	DTLGMVFQUHCWOI-UDWIEESQSA-N	508.933	5.789	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccccc1	408794612	JQLQUXLNHIWCAY-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795013	JVNXHQCJKQUFIM-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408798727	WVQYJLVFNZKCAB-YBFXNURJSA-N	757.160	6.960	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2c(C)ccc3ccccc23)cc1	408804698	GSFSSUINQNZZAC-HZHRSRAPSA-N	555.428	6.822	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408812097	BDADATAOAGMWMI-SGUCACAYSA-N	618.561	7.004	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408815761	UYEPOJXDFYHAGF-OVEPSTSESA-N	515.824	7.019	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	408824831	AYAYOIHAPKJWEF-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1cccc(Cl)c1	408833080	RLNRKXRHDNZKJU-ZVHZXABRSA-N	699.372	8.700	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408841470	KMBNJCZHVHPRKP-ATZGPIRCSA-N	609.973	8.055	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	408846907	ZNFFPEWKOGNSDC-KVSWJAHQSA-N	549.372	6.621	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1	408857561	KUURVOMCJQYLFL-KBVAKVRCSA-N	622.497	5.346	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc(OCC)c1O	408860803	FJSPWBHMWGFOKC-KBKYJPHKSA-N	537.425	5.031	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(CN4CCN(c5ccccc5)CC4)cc3)cc2)cc1	408861353	QUMOPXMUUTUTLZ-PPFNPFNJSA-N	518.661	5.660	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1	408862814	JKSAXRKERMDHCH-HDQCQOOPSA-N	675.207	5.482	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1OCc1cccc(Cl)c1	408863213	QFYYDVFOOYTDRP-OBIOOVRGSA-N	600.140	6.856	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1Cc1cc(C)cc(C)c1	408878029	VORIDGXVZRWOHF-KEBDBYFISA-N	567.383	5.961	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408885883	GIOTYLNMZYQGIR-KGENOOAVSA-N	616.477	5.874	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1	408889189	FKARARGFMLYHGY-VULFUBBASA-N	528.359	5.108	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1ccccc1Cl	408891364	PKXSCAMDIWXBKL-XODNFHPESA-N	596.703	6.615	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OCc1ccccc1Cl	408899512	PYMNBMOEVSHHCF-LZYBPNLTSA-N	613.666	7.385	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408948046	ORRZPSZNOQRBAS-HHHXNRCGSA-N	808.449	5.426	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408950386	JOXCVNYQIBXYCJ-JMIUGGIZSA-N	554.861	6.982	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(OC)c1	408951360	TVTXCNALUCTOBI-NDEPHWFRSA-N	685.572	5.061	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Br)c(Cl)c1	408953428	WIVKLIAVWOCIAM-RAWMCFOBSA-N	549.650	6.783	50	40	KKGB	
N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	408961227	LLPDSFKZMIOWGK-UVHMKAGCSA-N	519.311	5.318	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCCOc1cccc(OC)c1	408970362	GTPJOFLWNVPHSV-WPWMEQJKSA-N	528.403	5.470	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	409002042	LTXICYQUEIKQQF-ACXHZZMFSA-N	558.582	5.047	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)cc1	409048068	QYNLRRDCXDRHIR-LICLKQGHSA-N	576.672	6.998	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccc(C)cc1	409049963	RSKGHRMOUHZIBD-FZKWRIDDSA-N	580.482	7.324	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCc1cccc(Cl)c1	409069670	WVFHEOQVUBVGFT-HZHRSRAPSA-N	502.998	6.600	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccccc1Cl	409094474	FNWAIMMSMBIDOR-DEOSSOPVSA-N	555.812	6.027	50	40	KKGB	
CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)COc1ccc(Cl)cc1Cl	409118580	RLCFKWBTDOUMAK-ZRGSRPPYSA-N	533.393	5.540	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	409154106	JUARDYWFBXRYAR-FJEPWZHXSA-N	565.468	5.043	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1)Nc1cccc(Cl)c1Cl	409166572	DECZWEXLPKFIDM-IPBVOBEMSA-N	554.217	5.407	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(Br)cc1	409191918	QIJDLVGVWRCLNT-YVLHZVERSA-N	534.248	5.765	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1	409244770	IKKHDXKOGSCZSK-WKIKZPBSSA-N	550.222	5.631	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409271101	JRQNLHKVTXESHK-PPDIBHTLSA-N	598.224	5.388	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)ccc1OCc1ccccc1	409303833	OOYMXJYUHKRYHQ-QHDYCIAZSA-N	530.624	7.160	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(=O)Nc1ccccc1	409313295	PEMMLVOHTOGHDE-UCMJSZAQSA-N	553.615	5.454	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OCC	409314897	HUXOJQCPTRQTBD-YKQZZPSBSA-N	619.534	5.875	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)ccc1OCc1ccccc1	409323238	ZVDXABPUFDDHNI-DLCNMLRHSA-N	681.381	6.889	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Br)cc1	409372497	YUVALSKVSPQHQM-NVMNQCDNSA-N	544.199	6.772	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409377136	DZTWBFJJCDPKBV-NVMNQCDNSA-N	563.677	6.540	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409392681	RHAIPAJUZAEFTE-NVMNQCDNSA-N	596.381	6.126	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409396777	BBQHWIOPCFHNGM-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc([N+](=O)[O-])c1	409400646	DWKIOQWVFIOCBH-UHFFFAOYSA-N	629.069	7.179	50	40	KKGB	
C=CCOc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1[N+](=O)[O-]	409407304	ZIVUSQPUWGLEOF-UHBFCERESA-N	593.434	6.266	50	40	KKGB	
FC(F)(F)[C@@H](Br)COC(OC[C@H](Br)C(F)(F)F)OC[C@H](Br)C(F)(F)F	1083809837	QPNVUMCCCJDWGE-ZLUOBGJFSA-N	588.881	5.297	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2C#N)c(I)c1	1529547553	LSXTXFZBSMBEBT-IBPXFIEHSA-N	788.462	5.389	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C\c3ccc(-c4ccccc4)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1	2051527	SKXOOEQKFLLKQD-SSZLPGGOSA-N	534.644	5.195	50	40	KKGB	
Cc1cc(C(=O)N(NC(=O)C(O)(c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)c2ccco2)cs1	2208081	IFYCUSZLGMHMLH-NDEPHWFRSA-N	522.626	5.849	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC(=O)c1ccc(C)cc1	2797254	RRIJBYLDTRKKGO-WOJGMQOQSA-N	514.887	6.441	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccs3)nnc2-c2ccc(Cl)cc2)cc1	9763735	TXBIZZVDGVJYDQ-WGOQTCKBSA-N	512.060	5.680	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	15229935	LRPLBDBBWJUTSF-KQWNVCNZSA-N	503.562	5.653	50	40	KKGB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1	16700999	JHMZARPUYSQEID-HIXSDJFHSA-N	506.606	6.663	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Br)cc1	58993767	FCEWTMLZJKEGGF-NDENLUEZSA-N	521.367	5.671	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(F)cc1	59101635	ICBYFYZWAQGXBR-XODNFHPESA-N	504.345	5.199	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	59856690	PGMDNSCMUVJMKY-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
O=C(C/C(=C/c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)[C@H]1C=CC=CC1)C/C(=C\c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97960727	RHAACQCPGMLCSD-YSKXZEGRSA-N	814.990	12.050	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OC(=O)c1ccc(C)cc1	97961021	FNMDSOFWBPOAHE-BIZUNTBRSA-N	573.443	5.372	50	40	KKGB	
Cc1ccc(/N=C(O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1Cl	97968645	KMGFTDBKQKMFKW-HVBJHMBASA-N	552.881	7.125	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	97999576	WCABAIKPWCMQEO-LJAQVGFWSA-N	558.103	6.768	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)NC(C)=C1C(=O)Nc1ccccc1	98000041	RAWIOOYFABOQSL-GDLZYMKVSA-N	573.118	6.754	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3ccccc3Cl)s2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccc(F)cc12	98007274	SNPSTWJAIADDBH-AREMUKBSSA-N	565.055	5.034	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1	100062663	SRKGRGWXWIZVES-RUMWWMSVSA-N	550.055	6.337	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100123885	FRRZFBRBNDZBNV-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	100125723	NCMFOLWAYMGCHN-ATZGPIRCSA-N	589.039	6.112	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292972	ZRWNJLHFNJPILP-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1c2ccccc2cc2ccccc12	100858317	LDORRZCJPQHNBH-HQDYHJHZSA-N	582.516	7.790	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)c1cccc(Br)c1	100858582	RDQKGFPAHAKXOF-RWPZCVJISA-N	586.309	5.543	50	40	KKGB	
Br[C@H]1CC23CSCC2(C[C@H](Br)[C@H](Br)C3)C[C@H]1Br	101042804	AQSPUIQUKLGURA-GEDKWGBFSA-N	511.943	5.348	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@H]1c1ccccc1Cl	101305213	WAZNYWQUBUULSI-RUZDIDTESA-N	548.039	6.247	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(OC)c(OC)c3)n2-c2ccc(Cl)cc2)cc1	101508766	JYERYUCUUJRCGX-STBIYBPSSA-N	552.056	5.246	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)C(Cl)Cl)[C@@H](O)c1ccc([N+](=O)[O-])cc1	101510094	IDWDXHQLOMJDRU-BDYUSTAISA-N	589.601	7.721	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc(F)cc1	102436916	MZDUWYDSBYOHEH-HRXXRIAWSA-N	600.461	5.254	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)c1	102634234	HSCJGEQTTUQXAB-YMNDLRCVSA-N	550.851	7.848	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	103894792	NLVVPEBLCQVSLX-XAZZYMPDSA-N	552.018	5.938	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1cc(Br)ccc1O)/N=N/c1ccc(Cl)cc1	104316819	RVSWLNFGCUWUED-WDDBZUGQSA-N	608.884	6.326	50	40	KKGB	
O=C(N/N=C/CCC1CCCCC1)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C/CCC3CCCCC3)cc2)cc1	104815412	QQOSHFXBYTVNPT-WHWCEDJFSA-N	632.802	6.996	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1c(Cl)cccc1Cl	104953875	BJPKMODZZVYXRC-OQLLNIDSSA-N	522.215	7.433	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341962	PFXIZIZUECYQCO-JOCHJYFZSA-N	954.566	15.892	50	40	KKGB	
N#CC1=C(SCC(=O)OCc2ccccc2)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@H]1c1ccc(F)cc1	229978300	NECLWXKSVQWBOS-PPJWLVRDSA-N	576.593	5.536	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408540204	OOTIMFHLCLTSQR-VUTHCHCSSA-N	562.666	7.496	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(C(=O)OCC)c1C	408546295	GEKRRGOTNSQYLA-RGVLZGJSSA-N	586.493	7.015	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408676190	GTENMPIFIRHKLL-KCSSXMTESA-N	538.475	6.674	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1cccc(Br)c1	408712107	ZQMFYRNGKNFCIU-FSJBWODESA-N	522.184	5.225	50	40	KKGB	
Cc1ccc(OC/C(=N\NC(=O)[C@@]2(C)NC3(CCCCC3)Cc3ccccc32)c2ccc(Br)cc2)cc1	408734514	WRDXCLAYJXWUPN-JNRYCEBLSA-N	560.536	6.421	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1	408755079	TWYAPLXWMFWSNG-STZFKDTASA-N	609.261	7.332	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408770913	CKAODLQMVOXLAF-ODLFYWEKSA-N	589.317	7.345	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1ccc(I)cc1	408775965	LETYBEROEGWZQI-DEDYPNTBSA-N	525.390	6.032	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1	408792456	JZNIYPCCCKEMPI-XQNSMLJCSA-N	527.418	7.126	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408794414	IHSOCNLHAPXIOV-RGVLZGJSSA-N	536.382	6.053	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2I)cc1	408794465	JGVJOPCVQRNNBE-GIJQJNRQSA-N	607.673	7.140	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1cccc2ccccc12	408798279	VVLUYYYPGHSJFK-MFKUBSTISA-N	602.472	7.585	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(Br)cc1	408798741	WTYMBWSLQARHAL-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408825450	JYNCTZAHYWKYFR-ZXTCRCEHSA-N	796.755	6.320	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408828669	INJMPPLTPWYJRV-HNSNBQBZSA-N	608.116	5.590	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)cc2)cc1	408832860	QRZXQVITECHCDG-MFKUBSTISA-N	554.002	7.260	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408838086	BZTYJZZNGXXLNM-ODQASSKESA-N	723.457	9.421	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccco2)cc1	408839092	MUWFARIAPGUFRM-IBBHUPRXSA-N	578.433	7.037	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408840174	YEVIYGATLYEGOQ-FABQOPTDSA-N	628.110	7.857	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408842339	JCLJVQREGPACIC-NYJWXDMXSA-N	623.662	5.746	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(Br)cc1OCc1ccc(F)cc1	408843769	FUOQWLQIEVGXMO-WOJGMQOQSA-N	513.338	6.251	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	408843780	HCJOGIGUUFGXFM-VQNDASPWSA-N	515.661	6.690	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1cccc(C)c1	408848857	WLJSZQCAFWGGMP-ODNPBWNPSA-N	655.618	8.675	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc2ccccc2o1	408853736	XEFMVTBRMLJKAV-ZRGSRPPYSA-N	540.313	5.109	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408855974	AFBIUYKHUMIPLL-ALQBTCKLSA-N	650.595	6.308	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2cc(Cl)cc(Cl)c2)cc1	408862237	DQXSZTQGTMCVNB-RWPZCVJISA-N	534.465	5.435	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408864425	VOUNLRURPLDORV-XKJRVUDJSA-N	598.346	6.736	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(Cl)cc2)cc1	408945720	XZWFWBMJOWKGJP-IPPBACCNSA-N	523.964	5.008	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1	408954198	YTRFPGFRCZQHED-NDEPHWFRSA-N	641.577	5.766	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccccc2C#N)c(OC)c1	408957308	UCVHJHWSPMRTLU-DBXYLJAYSA-N	710.969	5.282	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408967996	YJVUOKBSRMNODE-XODNFHPESA-N	581.379	5.202	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1	408971673	LHGVGRGVSGNVKW-GNCKLDPMSA-N	713.456	7.379	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409006679	QSVHRNMKKZFBTA-WKULSOCRSA-N	566.894	5.553	50	40	KKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1	409012429	KAAKDHPBPUVPGT-IBBHUPRXSA-N	639.287	7.604	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc2cc(Br)cc(I)c2o1	409016130	UQPGABFCJKXPGZ-PGGKNCGUSA-N	614.577	6.385	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Br)cc1	409020123	ZMBKENGFFYTXJE-PWJBJKBWSA-N	529.262	5.204	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409044251	UXMKAVITCVEGOE-FRKPEAEDSA-N	591.643	6.898	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Br)cc2)c(OCc2ccc(I)cc2)c1	409062854	BSUKZQQFPMHPHM-LQKURTRISA-N	606.302	6.243	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2Br)cc1	409210163	ILDCIOBAFSJMRQ-KKMKTNMSSA-N	582.745	6.995	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	409218025	CDULZDGNGKHJNY-LQNQUEJISA-N	567.514	5.047	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c2)ccc1OC(C)=O	409219678	SZTFHRBQYACHKZ-UHFFFAOYSA-N	788.243	7.143	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccccc1	409230865	GRVGVJJFXPJIKJ-HSGPEQJXSA-N	679.252	6.167	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1	409254969	GMJWOEKDICRMCB-AEUUOICLSA-N	654.590	7.714	50	40	KKGB	
Cc1cccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)c2)c1	409267533	NJLLKMWISBVHDJ-APTWKGOFSA-N	561.667	6.644	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)ccc1OCc1ccccc1	409273122	VPOSXZKLXSQNSK-FZKWRIDDSA-N	616.512	6.517	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1	409311476	GOPDCXNPOKQPLF-OALUTQOASA-N	556.265	5.436	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OC	409312306	KKMZSBXMQISDFD-FDVSRXAVSA-N	500.954	5.628	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccc(Br)cc1	409313416	ONMSSJORVFQLOQ-MUXKCCDJSA-N	639.284	5.813	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1OCC	409314096	FCKZAMXBNGHUES-LQNQUEJISA-N	566.452	5.502	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)ccc1OCc1ccccc1	409318393	VFZAHPOIZOOGBN-BJUCDSOZSA-N	553.417	7.063	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC	409322628	MJPRSFSZSKZWGB-BVMLUPFRSA-N	610.383	7.120	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC(=O)C[C@H]1c1cccc(Br)c1	409324772	UZZRFNXAJLYAIT-AWEZNQCLSA-N	511.228	5.466	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1OCC	409332642	HOJFHRFQRSGSKY-RHANQZHGSA-N	509.990	5.309	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409362505	GTSSIHXIXYWFIA-MHWRWJLKSA-N	542.336	5.299	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(I)cc1	409368933	SWLQXQGCNUJZDS-APSNUPSMSA-N	757.962	8.450	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(OC)c1	409373636	RNVKKMFICQQDEV-FJEPWZHXSA-N	692.291	6.409	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc(F)c1	409394181	WVBKCXWAGGQGCX-IUXPMGMMSA-N	532.163	6.902	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccccc1	409394865	GWBSIRPTRITFOG-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397125	GNZCBTOZQVQZLZ-UHFFFAOYSA-N	582.056	7.187	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397435	JWHREMLYFXYZTG-UHFFFAOYSA-N	541.966	6.619	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(O[C@H](C)C(=O)O)c(Cl)c3)o2)cc1	409404959	RNMXEFMUNSKPPU-DLIVZJNESA-N	535.984	5.535	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)o2)cc1	409406175	WDNIDJRVNFEPFI-APTWKGOFSA-N	564.598	6.517	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccccc3)o2)cc1	409407305	FFKXKFQROGMULP-ICNWXOBASA-N	717.414	8.174	50	40	KKGB	
CCO[Si](OCC)(OCC)[C@@H](CC)N([C@@H](CC)[Si](OCC)(OCC)OCC)[C@@H](CC)[Si](OCC)(OCC)OCC	409418448	AZWJUPOOZZRWNW-PFBJBMPXSA-N	630.057	5.387	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1	1529546365	FLDZMMNFBOKXMQ-MMVATDKPSA-N	807.461	5.246	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)N=C3CCCC(O)=C32)cc(OC)c1OC	1249731	HZMYKYXHUDHSLT-XMMPIXPASA-N	584.492	6.116	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)nnc2-c2ccc(Cl)cc2)cc1	2613135	QVXSXDXBRJBWST-IPPBACCNSA-N	560.894	6.536	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccc(Br)cc1	3116282	MNQROBJKZNERBT-RWPZCVJISA-N	525.399	5.213	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)ccc1I	4062576	RTJJWHNORQMREV-KVSWJAHQSA-N	584.336	5.627	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1	6137109	JQJVFLKJFAUYJI-MHZLTWQESA-N	510.619	5.402	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	6445765	WUFJXFLQFQGKDW-JCTDHXFVSA-N	550.489	5.934	50	40	KKGB	
Nc1c(C(=O)NNC(=O)c2cccc(Br)c2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12	6474370	JMWQQOOKWDQRRU-UHFFFAOYSA-N	543.446	6.050	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	9203099	WJGIFNZNYCAXLA-SSDVNMTOSA-N	507.138	5.073	50	40	KKGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCC1	12615663	ZOGAVVLNDGNPHF-CAPFRKAQSA-N	507.015	5.287	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)cc1	20232938	WLAPWLHKHIMPIZ-TWKHWXDSSA-N	513.619	5.163	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2cccc3ccccc23)cc(Cl)c1OCc1ccccc1C#N	33718333	NWATZRPTXXRYCJ-ACXHZZMFSA-N	516.022	6.195	50	40	KKGB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1Cl	33912820	ZHETZSHMTJIUIB-OQKWZONESA-N	508.025	7.322	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)cc3)c2C)c1	36076637	OSFHUQMTTWXCML-UYRXBGFRSA-N	511.363	5.643	50	40	KKGB	
N#C/C(=C1\S[C@@](c2ccccc2)(C(F)(F)F)N=C(O)N1c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1	97984806	CUPJPFVLVXMXPO-FLAKJENDSA-N	603.630	5.879	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(C)C)cc2)=C(C#N)[C@H]1c1ccccc1	98000224	XRSQBZCZCRDAMF-SSEXGKCCSA-N	552.700	6.525	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1	98001442	LTHFJTADXJSKIF-MUFRIFMGSA-N	613.249	6.119	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)c1	100122897	DHNIOYZDYNVRPT-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100125509	INLDRMNVPVVGHL-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1ccccc1N(C(=O)[C@H](Br)CBr)[C@H](C#N)c1ccccc1OCc1ccccc1	100151491	QYVIONDQMAYCGZ-FYYLOGMGSA-N	542.271	6.330	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)cc(Cl)c1OCc1ccc(F)cc1	100231802	ODKVQQBKIBYJRJ-IBBHUPRXSA-N	582.057	5.562	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccccc1Br	100258235	FBNGPLFJQVBSDM-RDRPBHBLSA-N	565.493	5.446	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)c(O)c(OC)c3)n2-c2ccc(Cl)cc2)cc1	100851929	DCBXXRNNDBEUBV-XODNFHPESA-N	602.898	5.315	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1OCc1ccccc1	100858481	BOURVSVQLUNOKL-KBVAKVRCSA-N	586.764	6.814	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/SC=C(c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1c1ccccc1	100879033	YIZZCPHNTDTFIF-FAJYDZGRSA-N	555.015	7.112	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1	100990579	PVNZHLXAHZUILX-NLTRVXJZSA-N	532.463	5.500	50	40	KKGB	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	102537364	ARVQVDZJCBAPMF-IIWAFIQESA-N	581.345	5.587	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	102809944	RNKWBDGDUQQOAS-HHHXNRCGSA-N	547.055	6.494	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc(Cl)cc(Cl)c1	103898438	IOBLOQLYCKUCSR-KIBLKLHPSA-N	535.236	5.477	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCCCCCCCC2)cc1	105528693	JFGKNOJUEOPUFK-UHFFFAOYSA-N	554.757	5.655	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br)Nc1ccc(Cl)cc1Cl	226384893	FGLFDHZGWFMNKM-MPMZRXFNSA-N	581.132	5.270	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(C#N)c1C	408546927	OYTABZNXGQNPMA-RGVLZGJSSA-N	535.021	6.065	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408568028	RPABLUUNSFZVJL-FJEPWZHXSA-N	731.210	7.228	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(C)cc1	408579928	LNHDGLDZPVCMQX-CIAFOILYSA-N	527.256	7.562	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408601440	JWIJFPSLAIOMBO-XAZZYMPDSA-N	551.430	8.024	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408642014	LZGNRFXUXJGQNB-NRPZXZCKSA-N	661.174	5.553	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1	408660724	WTMBMZRXLQANAA-BZDUYGCESA-N	629.132	5.011	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408669488	HEZNEUBERJWSAR-FSDCSDTHSA-N	574.191	5.384	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408673590	UAPWEZAYPGBSCV-BDXSIMOUSA-N	554.666	5.327	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408688403	WGGJAEOEORHEFU-VQHPVUNQSA-N	634.108	5.381	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	408743462	FYDFBYQFRNTBCB-QRVIBDJDSA-N	670.288	7.482	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408743928	CNFLMDHCVQPVDW-PXNMLYILSA-N	566.666	7.543	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408744508	LRUYTSVKSAHLGD-BOPFTXTBSA-N	546.646	6.990	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408744687	ZISWVYMZIPNQKR-ZDLGFXPLSA-N	555.328	5.333	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408745631	UMMZYMQARCYORU-MFOYZWKCSA-N	625.144	8.042	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)c1	408746012	QEORFVUTFVPQEO-ZDLGFXPLSA-N	776.150	7.024	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408746520	ZRZNSPKVNYLXAK-BOPFTXTBSA-N	638.097	6.941	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1cccc2ccccc12	408757024	ZEKRSEQYTKSYTH-FDAWAROLSA-N	509.403	7.098	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2I)cc1	408761074	HIJPVKURZFAMKH-LGJNPRDNSA-N	602.479	5.161	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(I)cc1	408762514	BXGBVPHAAIAPFE-XFXZXTDPSA-N	564.133	5.768	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	408776213	VIYFHOLZVZHXLQ-PDGQHHTCSA-N	657.421	6.300	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408787616	CSPRYDUHZGYYRT-SRZZPIQSSA-N	607.258	7.398	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408793290	DNFXNBKXOVJGAZ-WSDLNYQXSA-N	549.421	6.288	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408793870	QQPZESZUKFTAJY-VIZOYTHASA-N	526.634	8.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408804205	DDQWYYWXSWZOIU-HYARGMPZSA-N	622.890	7.930	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1c(C)ccc2ccccc12	408809384	NYPMIIVUMWUAKJ-LPYMAVHISA-N	622.890	7.930	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C)c(C)c1	408813626	UUVRKLGNKHRLCZ-SSDVNMTOSA-N	553.884	7.551	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1cccc(F)c1	408819382	QMRPPUNJZIRAQF-WQRHYEAKSA-N	513.338	6.251	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408832140	PZZXRBWKODWANX-WGOQTCKBSA-N	658.379	9.613	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408837491	GZDLTTNHLWKTRC-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)c1	408837962	AZLYMOCXHQRRJG-KVAAJVFYSA-N	646.950	7.861	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408845103	FGBIVMUGRYGHOX-WBIBEUCMSA-N	687.388	8.019	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccccc1Cl	408847164	ZWDUNONIIPAYRG-HBHSWBPBSA-N	667.935	7.992	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1c(Br)c(C)n(-c2ccc(Br)cc2)c1C	408849242	VSGPRERGVXIWNT-AQTBWJFISA-N	527.260	6.727	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(Br)cc1OCc1ccccc1	408854625	AICPNUKTAMMZSY-ZVHZXABRSA-N	527.418	7.126	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408858173	NEQDVVUXDDCXSK-FABQOPTDSA-N	646.980	6.970	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cc(Cl)cc(Cl)c2)cc1	408861509	CNYUHXWBPOCEOZ-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2cccc(Cl)c2)cc1	408864027	WLDNLEPWCJDDEM-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408864445	VUJFPUSBKOWQLF-RUMWWMSVSA-N	580.622	6.014	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2cccc(C)c2)cc1	408879335	FEBWHHLNFGNSEC-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408879616	HETLOVDTDOIXEO-VXLYETTFSA-N	581.379	6.097	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408887239	NDXHMYXMCGRPFA-OQLLNIDSSA-N	586.298	5.454	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccc(Br)cc1	408894096	IXSITTXIUNXKSN-JEPNHJGPSA-N	609.605	7.810	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408896214	QKHGBNIOCXXAEN-WOJGMQOQSA-N	521.913	5.420	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2cccc(F)c2)c1	408896574	OKFHMGVZUNXROV-KOEQRZSOSA-N	508.549	6.538	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1cccc2ccccc12	408897001	PPRCNVHAEARBIN-YDZHTSKRSA-N	586.442	7.342	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1	408897892	JFUKDVLWHPRVDZ-YDZHTSKRSA-N	519.439	6.762	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(Br)c1	408921368	ANZMWDIEWBUZJH-LDADJPATSA-N	605.124	7.407	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1OCc1ccccc1Cl	408949805	GEFCWMLQXSDVKC-ZMFRSBBQSA-N	534.781	5.605	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)c(OC)c1	408957237	SXSFXNQZIBCFCX-CBRUVPLOSA-N	731.600	5.919	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br)Nc1ccc(F)cc1	408968244	UYLOEIOSCQAHMS-XKJRVUDJSA-N	538.295	5.388	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl	408970242	DHFFWCXNNZJEOA-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccc(Cl)cc1	408990029	VZAIRTDHTIHPLT-HMAPJEAMSA-N	507.417	7.164	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(Br)cc1	409003606	TXFISKUHDAJJRY-OPEKNORGSA-N	596.073	5.696	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1cc2cc(Br)cc(I)c2o1	409020771	TTXZLWMBPJRCSS-YCPBAFNGSA-N	648.476	7.240	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)cc2)S(C)(=O)=O)cc1	409024202	BKVQTINNLKGMBE-FDAWAROLSA-N	593.547	5.895	50	40	KKGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c1	409038093	OLVLNQJQZDWVFC-LJUMEUDFSA-N	509.949	6.366	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409047175	NHUITZLNPDYRFG-RQZCQDPDSA-N	548.618	7.416	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1	409047801	PNHXMPFJCKNMKK-GIJQJNRQSA-N	515.780	6.558	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409062922	CYSVDYXBJNYYFZ-RCCKNPSSSA-N	513.554	5.004	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409077049	CULNTMGHCMGWQU-CPNJWEJPSA-N	543.428	6.044	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccc(C)cc1	409122910	CHVPNRQXKYOZCD-DEOSSOPVSA-N	554.384	5.501	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409143298	LPDAYSWPUHJUPH-HNSNBQBZSA-N	611.164	5.130	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409147139	WLVAJHFJHLJOGC-KVSWJAHQSA-N	603.671	6.532	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc2ccccc2c1	409192579	CKESXEGPPFAKDX-XKZIYDEJSA-N	505.412	6.156	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)c1	409223195	FUDKSYGSOCWWEY-UHFFFAOYSA-N	675.750	7.653	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409224359	JFIWOVKYOWFEIB-UHFFFAOYSA-N	576.487	5.849	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c1	409224872	NIGPYUZQYJOPAC-GJXIYTTCSA-N	583.000	6.192	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409253186	YYZATOFXQSCHBB-QLTNSANVSA-N	539.857	6.865	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(=O)Nc1cccc(C)c1	409302840	KZJYPRYHBQQMQX-GXBUFBABSA-N	567.642	5.763	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409305727	WYAQOPWPWZTVIH-WOJBJXKFSA-N	603.311	5.809	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3CC)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409313623	QETVDQBRMOVPRS-FGZHOGPDSA-N	562.475	5.064	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2)cc1OCC	409314019	QDAXUXFIUMGNBQ-ACXHZZMFSA-N	647.364	6.489	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(C)cc1	409373090	LGUUVVOAQYRWNZ-MUFRIFMGSA-N	503.396	6.262	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2s1	409384908	FZKRNWRCRBTWTK-BRJLIKDPSA-N	555.366	5.823	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)c1	409394889	HCXWIRGNNJWLIO-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409395744	RFDXBGZUZBAEGL-UHFFFAOYSA-N	764.685	9.702	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Cl)cc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396376	OFHYTTYSDHMRMM-UHFFFAOYSA-N	694.999	8.974	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409396716	AJWQMIANYMCJSU-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409396718	AKFLCDAZBZOOLU-UHFFFAOYSA-N	590.836	7.373	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396733	ANLCMEPRDCONCB-UHFFFAOYSA-N	651.890	8.085	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397262	IAUQODMJSPHEDA-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397878	OZIWQWMWRLRKQF-UHFFFAOYSA-N	580.084	7.795	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397935	POBUMNUQDMNSFC-UHFFFAOYSA-N	576.411	7.273	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)cc1OCC	409398005	QATIFYYOMLRPRJ-UHFFFAOYSA-N	610.110	7.886	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)c1	409398405	SVELZYSZNFILFK-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409398949	WWBJWOYLDHDAFL-UHFFFAOYSA-N	598.055	6.887	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409398992	XGFQNADXVJKZJA-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccccc1C#N	409400727	FGEOBNRTCRKJPY-FRKGHFGRSA-N	732.429	8.014	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)OC(C)C	409402973	LNFWCOBXOTYCHO-DLCNMLRHSA-N	652.542	6.522	50	40	KKGB	
C#CCOc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409403214	MDZYVVOIICLJLK-FZPRHHONSA-N	669.370	6.966	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OC(C)(C)C	409404525	QDESQLKUBMBPDP-LJUMEUDFSA-N	560.607	6.124	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccccc3Cl)o2)cc1	409406378	WKRMRTRBNOPNBS-AEUUOICLSA-N	632.942	8.025	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OCC)c1	1529544616	JYFDULWEDUGAHN-XXPSCNKNSA-N	681.609	5.312	50	40	KKGB	
CCc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Br)cc1	650888	YVGXNQPRIAYCIK-QFIPXVFZSA-N	513.457	6.103	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3OC)nnc2-c2ccc(Cl)cc2)cc1	1761362	PLUGAJQAGRKYKV-JSWNDZHBSA-N	548.068	5.903	50	40	KKGB	
CC1(C)O[C@]2(CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)CN1C(=O)CI	2132480	RWFLLQUFBKGYBI-JRTJEVDDSA-N	513.504	6.188	50	40	KKGB	biogenic
COc1ccc2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n13)C(=O)N2	2378099	LWFODLJNKXKWAA-UHFFFAOYSA-N	540.583	5.099	50	40	KKGB	
Cn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)nnc1-c1cccc(Cl)c1	2594073	OJTPRUNHWYRPHU-CCVNUDIWSA-N	570.900	5.719	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1	2888379	BOJJXJKDJRPQMI-FYAMCCBRSA-N	566.908	5.888	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	3663634	DIIOEGQMRDUEOF-WKULSOCRSA-N	518.063	6.924	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccccc3Cl)cc2)sc2c1CC[C@@H](C)C2	6167113	GMCMWSCPIOHNMM-IAQOLKQXSA-N	568.095	5.873	50	40	KKGB	
COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c2)C(C#N)=C(N)O3)c1	8410851	VRBQLUKAJPTRTN-VWLOTQADSA-N	579.440	6.206	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCc1ccc(Cl)cc1Cl	8721797	QEZAIXPQSNBHCW-OPEKNORGSA-N	512.187	6.091	50	40	KKGB	
CCOc1cc(C(=O)N/N=C(/C)c2ccc(NC(=O)c3ccc(C)s3)cc2)cc(OCC)c1OCC	13736837	DFFYIDYYVQOOAX-MIXAMLLLSA-N	509.628	5.659	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3sccc3C)nc3sc4c(c3c2=O)CCCC4)cc1	19861330	PTRCYCDXEBDYOZ-ZMFRSBBQSA-N	508.694	5.247	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1	20059248	QSIAMPCYJYSZTB-JBASAIQMSA-N	505.684	5.721	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	59514214	CMVYJRHEUUADGZ-LGJNPRDNSA-N	517.221	5.353	50	40	KKGB	
Cc1cc(C)n([C@@H](CCl)CN(Cc2cc(F)cc3cccnc23)Cc2cc(F)cc3cccnc23)n1	69779042	DFGHLGWMTVQMAS-SANMLTNESA-N	506.000	6.357	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2nc(-c3ccc(Cl)cc3)cs2)C1	97945303	SUEICVCBNJAYRV-JXFKEZNVSA-N	521.397	5.379	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)c1nc2ccccc2s1	97947620	BDPZJSVYBQVFCD-NKFKGCMQSA-N	551.697	6.388	50	40	KKGB	
BrCc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1	97973146	WROIFZUSIQAQBZ-UHFFFAOYSA-N	557.495	7.742	50	40	KKGB	in-vitro
Cc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c3ccccc3C2=O)cc1C	97980541	TYGMXPOYFZZDGR-RDRPBHBLSA-N	568.098	6.712	50	40	KKGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(OC[C@@H]2CCCO2)cc1	97981072	MXHWTHMFNSGFLD-VURDCNJBSA-N	526.511	5.487	50	40	KKGB	
O=C(c1ccc(Br)cc1)[C@@](Br)(/C(O)=N/[C@@H](Cl)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97982982	MAXQFUVRYLFHQO-IAPPQJPRSA-O	748.086	8.609	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c1C	100100219	HKUYOWBGFQUZAN-KBVAKVRCSA-N	546.534	7.530	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	100391550	HPDBLPSUCQWKDN-JFLMPSFJSA-N	569.308	5.140	50	40	KKGB	
CCCCCCCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	100557568	BCYXZGBFKZQIMN-AOWGFEFVSA-N	541.280	5.235	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2	101042327	GTBJEPORFXLNJY-QHCPKHFHSA-N	527.524	5.235	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(C)cc1	103889952	YYXAQUZEXWSGBZ-ZDLGFXPLSA-N	593.248	7.040	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)c1ccccc1Br	104402103	DWYPSGCHBYUFIB-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1Cl	106218930	DVUPAYBFOVNAQH-WKULSOCRSA-N	576.862	6.232	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	164816690	VQYIWBBLIGZENG-XZYGTATASA-N	656.588	6.634	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Br)cc1	408527527	FZQOSVFHYGNOSR-KLPHOBTLSA-N	615.244	6.380	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccccc1	408539305	VGBQMHYVFYAPFP-BOABNOFISA-N	719.661	9.247	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1cccc(C)c1	408543361	QNYPEQONZQCBIW-NHDPSOOVSA-N	535.394	5.979	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)c1C	408552948	SSXWTMKYRBKTOA-IUXPMGMMSA-N	652.170	7.698	50	40	KKGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408555830	YLPBUJSOZRQKAA-QGOAFFKASA-N	500.555	5.201	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408566862	IQXSXFKKMNNUFS-PPDIBHTLSA-N	614.223	6.248	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCC(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1	408608833	PXLVCVKEDJCIMR-OAQYLSRUSA-N	535.044	5.033	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408641046	JHHZOOUQHVRSGM-NVPYSNMXSA-N	702.783	5.721	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408643880	QFAXJSQIWMOTBC-RCZSKKKRSA-N	533.839	5.572	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408650131	ZNQOHPHWAJRAOD-DYTYQCPDSA-N	645.175	5.852	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc2c(c1)OCO2	408750523	OIQVWYHHVRGCSB-VTNSRFBWSA-N	544.991	5.043	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccc(I)cc1	408761468	FRUTXWVTKNWTRX-BKUYFWCQSA-N	629.292	6.915	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408763063	NJOWFLFBONTCFH-PCLIKHOPSA-N	529.556	6.889	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1cccc2ccccc12	408764707	VEUKQORXONTXNT-XKZIYDEJSA-N	606.314	7.888	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccc(I)cc1	408788134	BFZOUYOWQNONPQ-UDWIEESQSA-N	708.290	6.206	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408789930	SQHVHRYFWZDFRD-YBFXNURJSA-N	574.700	7.552	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1c(Cl)cccc1Cl	408791529	ZRWNTMOLJVNFRI-BOPFTXTBSA-N	622.290	6.797	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408792108	HZDIMIXLBTVTPP-PXLXIMEGSA-N	580.422	6.379	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c(C)c1	408793048	CUZUTNSTQFULPP-VXLYETTFSA-N	668.700	7.291	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)cc1	408794610	JVDLJKGCIZYPNL-DEDYPNTBSA-N	570.358	5.732	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408795360	MDPMJIVALPDDRL-YBFXNURJSA-N	552.381	5.889	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408795913	NOGWEMDTTOTMLG-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1O	408817854	WYNKGUPBYKEGMJ-NTFVMDSBSA-N	551.384	5.535	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408822691	CROYGBOZQRCUJK-DEDYPNTBSA-N	596.275	6.357	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(C)c1	408847181	PRQNXDQHOVOBRE-MWLSYYOVSA-N	503.396	6.575	50	40	KKGB	
COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)c1	408857997	QYRLFCYZAJHVFN-APTWKGOFSA-N	554.716	6.297	50	40	KKGB	
N#C/C(=C\c1c(Cc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408867187	JYUQNFWCZDZEJU-SGWCAAJKSA-N	512.584	7.694	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3Cl)c(OCC)c2)cc1	408873669	VYDYROYFFMMTOH-DEDYPNTBSA-N	539.857	7.036	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OS(=O)(=O)c1ccccc1	408885669	DQGWTOOBEBUHJY-OGLMXYFKSA-N	553.434	5.533	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccccc1F	408888608	XUQDZGHAIAQPLR-LICLKQGHSA-N	525.330	5.420	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccccc1F	408904938	QTQMVWNASPMADT-QDTIIGTASA-N	626.264	6.635	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1	408922536	BZCJQYWPSDGQBH-ZCTHSVRISA-N	562.047	5.289	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccc(Br)cc1	408924174	LULQRFJWLJLPKI-KKMKTNMSSA-N	605.308	6.183	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)c(OC)c1	408947250	AXISJAOWNXCDNI-FAQSDZBQSA-N	685.959	5.410	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c(OC)c1	408949166	DXIVMHCBRWLZEE-ZBVWQCQISA-N	686.505	5.209	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2C#N)c(I)c1	408949362	QTLWSNFPXVBCQA-MUUNZHRXSA-N	835.462	5.231	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccc(Br)cc2)c(OC)c1	408949552	FRDQATQCZPAZDH-VOSMKULASA-N	764.855	6.173	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408979935	OQGIZPACTHJTLB-HUEHPZEESA-N	526.637	5.250	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc2)cc1	408980470	RDKSQIRYPDOTGM-RYBVODPGSA-N	593.547	5.725	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c2ccccc2)cc1	408981626	VZWUVQNITLPNFA-RZWSOBKFSA-N	599.782	5.775	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408992002	PTGCXUSSPCYWMY-WICIZWECSA-N	684.583	6.871	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCC(=O)O	409009865	ADYDWPZLPRNBJL-KTZMUZOWSA-N	666.060	5.188	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409011864	OQBVOYMEEVCZJD-JRZNSJKLSA-N	601.747	7.488	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c1	409026090	FWGLJQWDYVQFDC-RGVLZGJSSA-N	540.255	6.953	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409036403	VZLDOUIAEPPMHI-QNVXDBMFSA-N	595.313	8.858	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1	409040014	FCYIFLASGSOGFV-VIZOYTHASA-N	526.634	8.078	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1	409047844	PUOFQKHOXRWNAI-CXUHLZMHSA-N	625.542	7.752	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409066906	DCSXFVGYTJUECY-MHWRWJLKSA-N	565.818	5.747	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1Cl	409073410	YQQOXFYXGFSSJT-FYJGNVAPSA-N	503.942	6.110	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2cccc(Cl)c2)cc1	409112321	LBWRPFRPMGTKMW-UHFFFAOYSA-N	506.068	5.252	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409118621	OSMZPECQKNPDDO-ZSNJKBEMSA-N	673.147	6.643	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409123982	JMWYTTRQLSQXFL-DEOSSOPVSA-N	633.356	6.312	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409125755	FDQLIVZQTCEXFE-RUZDIDTESA-N	605.360	6.718	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2c(C)cc(C)cc2C)c(OCC)c1	409151769	BZUQOTXVUZHETN-KPGMTVGESA-N	625.520	5.278	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C	409158725	YQGUJYYJTVGRST-ROPCREHHSA-N	585.488	5.218	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	409183037	AALSOZDBSVRTFP-FABQOPTDSA-N	711.591	5.916	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1	409218808	LAJMMMNXQDIPGB-FUUQTGFDSA-N	568.029	5.913	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1Br)Nc1ccc(Cl)cc1	409260124	LDYYIVLTNFUODC-ZRGSRPPYSA-N	565.649	5.646	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409263354	KLWJUMZUBORZJZ-OOHCFEELSA-N	519.395	5.374	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409263570	HUBGPTKWRMIGIA-OLEKTWNESA-N	576.491	5.659	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	409267099	SJRCFNYDFUTXLO-XODNFHPESA-N	542.808	5.510	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)cc1C	409267634	WQSBRQDLCKNCGV-XKZIYDEJSA-N	532.438	6.246	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1	409268499	UQJDZVOJNZLOKM-NVNXTCNLSA-N	624.116	7.082	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(N)=O	409272463	YXQVZRPNFDYSCF-IURWMYGYSA-N	675.936	5.838	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OC	409313996	DTDZDHBRKSEDFX-DICXZTSXSA-N	513.388	5.208	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OCC	409314234	FJRCBXCFTQHFDC-MNBJERMJSA-N	598.494	5.817	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409324496	UNDSSFJGMYOHMN-FTCYSYDXSA-N	572.323	6.884	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1	409362548	HWXIACBFTNHULU-ZRGSRPPYSA-N	549.194	5.132	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Br)cc1	409363344	LHFOUQZEKIDLRR-OCKHKDLRSA-N	557.238	6.982	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	409364508	PXOHEHPBUHATIE-MBTHVWNTSA-N	515.835	5.945	50	40	KKGB	
CN(C)c1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409368869	QKEARZPQJCYFID-MUXKCCDJSA-N	598.350	5.163	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1	409369956	IEEGGJDJCSHLMU-CAOOACKPSA-N	505.199	6.396	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Br)c2)cc1	409372433	ZDMHIEZHLUYYIJ-ATVHPVEESA-N	524.346	5.160	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	409373773	UZIPBJOSUDGHKU-ZRGSRPPYSA-N	565.193	5.531	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409378364	OSUBGIQNMQERDA-MUXKCCDJSA-N	560.832	5.291	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccccc1Cl	409385539	LEMLUZYARYZJRY-KKMKTNMSSA-N	574.840	6.577	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409398259	RZYHEEHTSBSYDT-UHFFFAOYSA-N	601.537	6.574	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409398941	WSMPMIZUOPCUIH-UHFFFAOYSA-N	616.899	7.633	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409399028	XNMKMYVFIKRNMZ-UHFFFAOYSA-N	670.869	8.261	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	1529548873	OULXQOARIBFQBN-ROKSKZBTSA-N	855.449	5.268	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	1774358	DRPRUFCNMMBFLY-XMHGGMMESA-N	502.979	7.051	50	40	KKGB	
COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(Cl)cc1Cl	2312149	NNRWDCFGNCIZII-WOJBJXKFSA-N	504.395	5.252	50	40	KKGB	
Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(Cc3cccc4ccccc34)c3ccccc31)C(C#N)=C(N)O2	2406950	YRQOUIVUAUKTFZ-JGCGQSQUSA-N	509.569	5.253	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1ccccc1	3087399	AKTJIRBTABISFY-STBIYBPSSA-N	517.379	5.523	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1cccs1	3184843	VUPJJBFGBDFOGQ-FFWKWCQCSA-N	516.626	6.027	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1	4196346	RJLLJMSCADNAES-YPXUMCKCSA-N	647.545	6.685	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1	4779931	QVNNKADVGYCKTC-QLQYKETESA-N	589.493	7.430	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)/C(C#N)=C4/Nc5ccccc5S4)nc3c2)cc1	6132327	RGCQUNSPFAATEB-MOHJPFBDSA-N	550.643	5.251	50	40	KKGB	
CC1(C)C[C@H](n2c(NNC(=O)c3ccccc3)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1	6232512	JZRAWIGCKRPZPY-HSZRJFAPSA-N	512.654	5.555	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1ccc(SC)cc1	8406206	HCBHSTUJLXYRRF-DEOSSOPVSA-N	532.691	5.361	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccncc3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	8448662	KKYDJVYFTKKPQF-HSZRJFAPSA-N	530.009	5.086	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	8812814	GVWHCEGJTNCAEV-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	12250459	RBXAMWUDMBJWGV-RUZDIDTESA-N	502.571	5.434	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(CC(C)(C)CC3=O)N2)cc1	35682047	FESVDUVCZYXFJG-XMMPIXPASA-N	503.580	5.285	50	40	KKGB	
CN(C)c1ccc(/C=N\NC(=O)CN2C(=O)N(c3ccc(Cl)cc3)[C@H](N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)cc1	35999809	ALYIUAJVTVWBHX-GADSPAKWSA-N	612.518	5.480	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1cc(Cl)ccc1Cl	58913076	YSKDUZKNCHGFGW-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC	97962947	JMPFNOMKDPIMHX-IDPCLHLCSA-N	564.425	6.192	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	97964104	YVPMYQCFIVQZSM-WKULSOCRSA-N	542.444	5.193	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(N)=C(C#N)[C@H]2c1ccsc1	98006093	BYKVGQRYNFTOCK-HXUWFJFHSA-N	540.139	6.486	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)=C(C#N)[C@H]1c1ccco1	98048621	YIWZMFHISKHKLJ-MHZLTWQESA-N	571.659	6.074	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1ccc(Br)cc1	100042461	PEFSBZLXOFGVMI-VYYCAZPPSA-N	531.790	5.250	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccccc2F)cc1	100124003	BJPCFYJXQBNEOE-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(C)cc2)cc1	100242959	GCZYAVHZDXWNME-BIZUNTBRSA-N	623.573	5.909	50	40	KKGB	
COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I	100293928	FGWFVKUYDAHDPI-VGOFMYFVSA-N	558.157	5.067	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)c1	100330317	PQVLPIIHJYBAAF-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	101710661	YRJHXAXKMSSCGE-DEDYPNTBSA-N	555.856	7.025	50	40	KKGB	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	102459200	WEZPTBQVLURKIX-XBTMSFKCSA-N	570.542	7.769	50	40	KKGB	
C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](C(=O)O)N2	102713225	CNUOJWXPQWZPJF-ROVZNMIZSA-N	530.046	5.360	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	102808500	JVGMUORGLJMCOO-PMERELPUSA-N	571.146	7.389	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccc(F)cc1	102933295	FXVCDYFHEIFQOY-RQZCQDPDSA-N	556.344	5.725	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	103867771	NSBVIFPLVZAXJJ-YCPBAFNGSA-N	569.637	5.440	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4Br)cc3[C@@H]3C=CC[C@@H]32)cc1	104699112	GZSBTJREQCJVEC-MESDMONWSA-N	604.570	6.836	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4cccc(Br)c4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699156	XDFQDFVKYGYVKM-RGMHEACTSA-N	604.570	6.836	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(I)c1OCc1ccc(Br)cc1	109408984	UTWITOMIWFHPEL-LGJNPRDNSA-N	579.232	5.714	50	40	KKGB	
CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341205	XOFSFFVGRDBXGS-YFKPBYRVSA-N	616.093	7.990	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	162479371	MZNVBGVZXMMGGM-ROPCREHHSA-N	674.923	6.349	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Br)cc1	164703595	UCMINEHXUAMKSW-JCMHNJIXSA-N	658.334	5.897	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C[C@@H]([C@@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1	169619029	JLYYHAXYIRGYLC-VZWWNPRPSA-N	609.358	7.087	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1Cl	408530605	MIIWZBOPLMAKFN-JJKQSNDFSA-N	631.820	6.503	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2)ccc1OCc1ccccc1	408539178	UOPCQZOLZKTFQR-USHMODERSA-N	518.613	7.097	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1cccc2ccccc12	408542697	NHRNFWIWMPOQPK-QRVIBDJDSA-N	514.375	6.952	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1ccc(C(=O)O)cc1	408544134	SEGLVPFYWADCLC-NVMNQCDNSA-N	639.081	7.158	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(Br)cc1	408552009	REZRIFDTPKYOLP-CFRMEGHHSA-N	610.289	8.249	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1)Nc1ccc(Cl)c(Cl)c1	408552101	HHUPMMVLYONCJM-ZRGSRPPYSA-N	521.198	5.537	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553197	MPKVDYNDLZOJSR-WOJGMQOQSA-N	536.426	6.525	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553982	XVTWTBNMDXWQGK-VHFSBPNMSA-N	660.583	8.041	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408569602	OWAAIWFGPSJWAW-APSNUPSMSA-N	561.238	7.813	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	408579674	JKPLSAHFDBIEFD-UDWIEESQSA-N	525.830	6.891	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1	408598834	KEDGLHRUHRMINV-NVMNQCDNSA-N	536.196	7.250	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc2ccccc2c1	408598849	KKMUCKGAJVJRDY-IPPBACCNSA-N	711.135	7.154	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1Br	408606886	RQFBCQOPNAKRHV-SFQUDFHCSA-N	503.356	5.416	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2I)c1	408677584	SDYNCMHTMZKWTM-MUFRIFMGSA-N	665.313	6.147	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Br)cc1	408734683	ILHSONNZVMEFCZ-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(OC)c2)cc1	408790701	XUOWCYGUZQTXSH-DEDYPNTBSA-N	568.367	5.211	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792684	BYJIFQUAWPOHRY-YDZHTSKRSA-N	757.322	7.508	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1	408793205	NWNPEUTVEDXELN-WGOQTCKBSA-N	599.481	7.302	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1	408794988	KSGYHUZXOQHMTG-YBFXNURJSA-N	540.359	6.203	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc2ccccc2c1	408795094	LCYOXAGRIOOFPH-WSDLNYQXSA-N	558.388	6.644	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408795114	LHDOZGIEFKLVIZ-SRZZPIQSSA-N	537.830	7.933	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)c1	408796866	QDYGBSVJJOPQBS-VXLYETTFSA-N	652.245	6.776	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2ccc(Cl)c(Cl)c2)c1	408803411	OOZWUFBAOGRRPJ-WOJGMQOQSA-N	501.797	7.089	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(C)cc1	408820919	ALWBNPSBMNGYBG-WGOQTCKBSA-N	587.503	8.404	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c1	408824575	RDYIPIIZTIGZIN-PCLIKHOPSA-N	632.352	8.224	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1	408825680	FKVFVIVLOLNJBF-ZTKZIYFRSA-N	512.075	5.704	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(OC)c2)c(OC)cc1Cl	408827067	KDXZWRGMWWHQDS-LPYMAVHISA-N	543.019	6.952	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408828148	LFWKHIVJGPDPEE-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1cccc2ccccc12	408834134	ULDVLEIPCSPNSW-TURZUDJPSA-N	619.515	8.315	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839649	VEBSPONMBCZGBV-VTNSRFBWSA-N	584.057	7.458	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c2ccc(C(C)C)cc2)cc1	408839651	BQYKOUWTRCLUBY-STBIYBPSSA-N	571.541	5.293	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(C(=O)O)cc1	408841799	LOXMGAROGFTEBI-ROPCREHHSA-N	598.603	6.274	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408843707	MTAJNPJLGDWWBR-KVAAJVFYSA-N	628.110	7.775	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cccc(C(F)(F)F)c2)cc1	408844602	VQFIMGNUBLKDJD-QNVXDBMFSA-N	637.511	7.074	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1	408856800	LILRTRIJZMRXQM-VQNDASPWSA-N	515.613	6.804	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1	408866299	DWAOASQEFWHSHM-BVMLUPFRSA-N	619.914	5.720	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408868662	PJQPPEBHPFUKHR-VXLYETTFSA-N	560.275	7.452	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccc(Br)cc1	408869272	QHIAMFGWWHHKKQ-PNQUVVCRSA-N	652.354	6.548	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)cc1	408879094	ARUOEMOWUQPROE-RPERFGLASA-N	578.694	5.551	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	408885329	ZLJGRDNYKXPTAJ-MHWRWJLKSA-N	546.204	6.529	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1cc(C)cc(C)c1	408888820	BHRUBZLKNNDKKR-SSDVNMTOSA-N	509.433	7.442	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OC(=O)c1ccc(C)cc1	408888996	AKTSHFKZKSYHAA-XDHOZWIPSA-N	584.264	6.602	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccccc2F)c(Br)c1	408889077	DJXMGZQTYUVKDU-JJKQSNDFSA-N	607.427	7.079	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1	408897322	RLSYJGBQYQXMGP-CIAFOILYSA-N	568.411	6.050	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OC(=O)c1cccc2ccccc12	408897393	RYFWBDMMJTVVTA-XQNSMLJCSA-N	577.434	7.529	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2)cc1	408923444	INICCCLJIHDIMY-GHRIWEEISA-N	606.292	5.842	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cc2)c([N+](=O)[O-])c1	408924594	NCLXIJNBDFRPDG-XHLNEMQHSA-N	631.648	7.945	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408942765	LEOCLONWJFBNCG-YCPBAFNGSA-N	569.637	5.440	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408969855	VPQZXJUDLOAOMN-MENPCOFHSA-N	722.404	5.387	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1Cl	408986521	MNWXISKIIWRLDS-SOFYXZRVSA-N	629.563	8.605	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)ccc1OCc1cccc(C)c1	409010133	AERPRKNRVKONNI-CMNDVVQPSA-N	545.680	5.259	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1OC	409011375	GHZAVSCCBXSTIR-MMFILIDRSA-N	650.735	7.610	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)Oc1ccccc1/C=N\NC(=O)c1cccc2ccccc12	409012270	PWLPGZSOIWNTRZ-QJHDHCORSA-N	619.471	7.204	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1c(Br)cc(Br)c2cccnc12	409015081	AHZRJXDHJWXWBV-NUJZUDFISA-N	571.269	6.231	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cc2cc(Br)cc(I)c2o1	409020807	UBXHTPJCCRHLNN-MWYAZZEHSA-N	604.025	7.131	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OCc1cccc2ccccc12	409044364	CIVMSUTYTWYMGO-CCVNUDIWSA-N	597.365	5.410	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(C(=O)O)cc1	409049293	QDWJLBDEOSBIEA-KMUKQRDJSA-N	671.491	6.946	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409140000	HDGAVVKZNBWPSB-DHRITJCHSA-N	502.752	5.283	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(Br)cc1	409143363	ZZYLCXFLRNDWGC-QHCPKHFHSA-N	573.285	5.529	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	409184001	HOCQYOWUYMJPNQ-HNSNBQBZSA-N	608.116	5.590	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	409185143	JUUDPGNOJDPCCR-OCSSWDANSA-N	539.032	5.232	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1cccc2ccccc12	409188446	HPFQPUQDNYYQMD-BKUYFWCQSA-N	505.412	6.156	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc2ccccc2c1	409194706	QRAISSDKMHFMQQ-UCQKPKSFSA-N	566.439	6.388	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409224608	KWMDAWHFDWROSM-WOJGMQOQSA-N	510.377	5.874	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409253768	BXHGYLAGRLXXOW-LICLKQGHSA-N	578.374	6.974	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409309619	JVYYZLXCAZSYLD-MNDYBZJGSA-N	651.885	5.532	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)ccc1OCc1ccccc1	409310159	RJEDRLYQOOOGEO-BJUCDSOZSA-N	569.872	7.577	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1OC	409312267	FHKQQQWZZOKAKX-NTFVMDSBSA-N	591.480	5.095	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCc1ccccc1Cl	409372973	RHQJRGAAMSXTKE-ODLFYWEKSA-N	594.674	7.749	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1	409376904	BTBALRMDABCLIB-VXLYETTFSA-N	514.807	6.141	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccccc1F	409379510	WXPJLMAQNVMEIB-YBFXNURJSA-N	552.400	5.777	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)Sc1nc2ccccc2s1	409383875	MYVSFRDTCBOLHA-RQZCQDPDSA-N	731.216	8.504	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(Cl)cc1Cl	409384360	BPEQKOHLVYHGSC-XODNFHPESA-N	544.416	6.858	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(C)cc2c1-c1ccccc1Cl	409396123	WNLKHRFPDVAANP-UHFFFAOYSA-N	730.240	8.967	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1	409396161	WUQMPOIEGUHDAS-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccco4)c(OCC)c3)c(-c3ccccc3)c2c1	409397745	NNWHOFOCZXOIRI-UHFFFAOYSA-N	537.572	6.208	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4)c3)o2)cc1	409400393	CSGIJICJCDWJQN-FZKWRIDDSA-N	554.046	7.262	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409403018	YEAOJHHELJFDSI-GYJUCFALSA-N	580.037	5.632	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Br)cc1Br	409406022	VTEWYBPFYNGYPL-UHFFFAOYSA-N	707.419	8.143	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	575629821	YUWDYMDDDVGRHL-ZNXKSNSDSA-N	548.957	8.410	50	40	KKGB	in-vitro
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1	1531387246	WVAPCGHCISSXNW-AFTBNTLVSA-N	546.539	5.481	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)cc1	1789476	AWVAIMWRUOZVPT-RWPZCVJISA-N	509.994	5.368	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	10118547	MWLPLOXNENXDJH-BHGWPJFGSA-N	512.178	5.769	50	40	KKGB	
N#CC1=C(N)Oc2c3c(c4ccccc4c2[C@@H]1c1ccc(F)cc1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O3	13464911	BQRKXUDQBIQUQP-PSWAGMNNSA-N	504.496	5.554	50	40	KKGB	
FC(F)(F)c1ccc2c(c1)N(CCCN1CCN(CCOCCCl)CC1)c1ccccc1S2	19366083	JZKYTYRQQNYYCS-UHFFFAOYSA-N	500.030	5.571	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)c1	58914960	CUOZDVNCPGIECL-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(c3nc4ccccc4s3)=C(c3ccccc3)N2)cc1	97984536	DEKYPAKZJBCWQF-HKBQPEDESA-N	635.214	8.711	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1	98000329	INKMTHRWYAGMSD-MHZLTWQESA-N	579.509	6.709	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C)cc3)=C(C#N)[C@H]2c2ccccc2)cc1	98048540	YEHOQLPRAPQETD-GDLZYMKVSA-N	566.683	5.878	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)cc2)S(C)(=O)=O)cc1C	100119817	WJPZEQLJALKWOW-HNSNBQBZSA-N	556.732	6.058	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)c2C)cc1	100126004	AOLQFKRYUYULCR-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1C	100127630	YQABQYKTZJDTHP-ZCTHSVRISA-N	544.677	5.420	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852069	RXXVPYQAUQJVOS-SEBMTOOBSA-N	635.790	7.070	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C(F)(F)F)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100858380	DROFRQAHJBBGFR-FZPRHHONSA-N	551.638	6.801	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1	100925394	IFYLIBDUDXMBIS-NLTRVXJZSA-N	532.463	5.500	50	40	KKGB	
COC(=O)c1cc(NC(=O)c2cc(S[C@@H](Cl)C(Cl)Cl)c3ccccc3c2O)cc(C(=O)OC)c1	100988466	XWETVORBFDZYPQ-HXUWFJFHSA-N	542.824	5.832	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2cccc(C)c2)=C(C)N1	102760681	TVEVUSTYTMOZMD-AREMUKBSSA-N	542.617	5.081	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	102808468	FUQFTKPBHJOVIO-NDEPHWFRSA-N	543.092	6.609	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])N1	102810182	URGZAVQXEANHAY-AREMUKBSSA-N	594.480	6.608	50	40	KKGB	
Cc1ccc(-c2nc(/C(C#N)=C\c3ccccc3F)sc2NC(=O)c2ccc(Br)cc2)cc1	102862921	LPQASYMZHYPPJQ-ZHZULCJRSA-N	518.411	7.337	50	40	KKGB	
COc1ccc(-c2csc(-c3ccccc3)n2)cc1/N=C\c1ccc(N(CCCl)CCCl)c(OC)c1	104083410	XRFDMUNUAVTVLX-MNBJERMJSA-N	540.516	7.529	50	40	KKGB	
CCCCCCC(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C/C(=C/c1ccccc1)CCCCCC)=C/c1ccccc1	104166760	FOVDUZMLIRPKAK-SZUNMUQDSA-N	626.930	10.419	50	40	KKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCC/C=C/CCCCCCCC	150382803	OTXOSURQGSBRDE-RQUODUDUSA-N	901.091	15.500	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)=C1/S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1	150439083	MRRVKCFOHXPGGP-UZEPBSNMSA-N	625.097	7.471	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795280	YTTJEDNFUNDSGW-PHDIDXHHSA-N	974.034	11.632	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CC[C@@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)cc1	253617036	OJNMMFFBVGCZFD-BRJNYYOESA-N	524.746	5.552	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1Br	408532704	QUIYJIZUAXNACK-IURWMYGYSA-N	531.332	5.481	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OCc1ccc(Br)cc1	408533275	RVADCAYGRQAPMW-IPPBACCNSA-N	622.301	5.902	50	40	KKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1OCC	408536957	BRSGRZNTJFLTEI-NTFVMDSBSA-N	500.064	6.894	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OC	408540846	WKWLYPRXDSDHAX-OYKKKHCWSA-N	512.242	5.943	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(I)cc1	408542680	MZQLNICZTUCASB-NDENLUEZSA-N	511.315	5.641	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408542696	NHQKBUMOTJPAAL-ZDLGFXPLSA-N	603.210	5.877	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(F)cc1	408543231	NYQBKELTRNXKST-GRSHGNNSSA-N	586.357	5.652	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCC(=O)Nc1ccc(C)cc1	408552544	JLKAGFPBDZBSRK-DEDYPNTBSA-N	526.618	5.379	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408644042	GSYYQGKQFCNHBW-HSPNGBHYSA-N	726.076	6.662	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408712068	YBXAIZYUZYWOTP-LUOAPIJWSA-N	589.644	6.603	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1	408744958	ITGCISZMMYKPOO-ULJHMMPZSA-N	556.460	6.990	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)NCc1ccccc1	408746554	FCTIALHCSSNOLP-OCKHKDLRSA-N	638.218	5.837	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	408748268	BAPGEZIJDCWGEF-WYMPLXKRSA-N	533.176	5.463	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccccc1	408755062	TWRGTTGTHOMWPQ-HZHRSRAPSA-N	527.418	7.126	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408765350	PDWYCPNWBSHCFP-PDGQHHTCSA-N	620.319	6.232	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408769388	SPPWVFWORSRLIT-HMAPJEAMSA-N	595.324	8.288	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1cccc(Cl)c1	408776502	OSAMBTAQWXDNPF-GRSHGNNSSA-N	515.734	6.286	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c2ccccc2n1Cc1ccc(Br)cc1	408783967	PRELDRSETPINQD-JCMHNJIXSA-N	528.450	7.093	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(I)cc1	408784381	SBYYFOHIXUKYIX-BHGWPJFGSA-N	512.178	5.769	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408788482	DGRRNGMNAZEHNZ-RQZCQDPDSA-N	609.247	6.827	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408798589	WCXCQEQDCXGJKY-CXUHLZMHSA-N	546.190	6.181	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c1Cl	408818918	PLMPDAFMBVNUKK-VWJSQJICSA-N	599.540	7.618	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408836359	QKXDJIPYCLIGKP-JJIBRWJFSA-N	539.975	6.952	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1	408837625	KCNFDINRGWMIQQ-FDAWAROLSA-N	653.511	5.291	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(C)(=O)=O)cc1	408841042	IMZDJOKUCYJEHW-AMVVHIIESA-N	659.386	5.659	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)c(Br)cc1OCc1ccccc1	408855648	FPOKTAAVJYVKNR-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2F)c(Br)cc1OCc1ccccc1Cl	408859808	ZHMJTVHFZZWOCX-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
Cc1cccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c1	408872583	GTGRMNRVZPBYRT-ZRGSRPPYSA-N	630.651	6.201	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc12	408874390	AWLPDHAELFWZRM-KKMKTNMSSA-N	531.421	5.750	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	408875142	DKYNBTGGCUAJIR-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Br)c(Cl)c1	408890500	UTMZGFMVGNIDJY-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cc(C)cc(C)c1	408891421	QIFCGINJRUEWQA-DJKKODMXSA-N	560.275	7.506	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(C)c2)c(OC)c1	408938891	AMNBHNYMGODAGT-LJAQVGFWSA-N	728.609	5.072	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2F)c(Br)c1	408942488	GAWFUSQARXXSEG-MUUNZHRXSA-N	655.546	5.052	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N\NC(=O)c3ccccc3OC)c3ccccc32)cc1	408956720	RNXHTZWTPYKMNA-ZWECTDHHSA-N	585.660	5.451	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc(C)c1	408963822	PMGZTPLXQXZCBO-AMVVHIIESA-N	535.360	6.518	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1	408969824	VDRPFAROOAAHDK-WSAUHSMZSA-N	625.465	5.815	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408974899	IEZJUNRRDQANPN-AMVVHIIESA-N	690.275	6.050	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c2ccccc2)cc1	408978542	JAMAJPSEDQEUNX-FFWKWCQCSA-N	779.438	6.343	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1)c1ccccc1	408981242	VNQMVBWOQZBFTJ-XDRVCWSLSA-N	524.017	5.645	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(C(=O)O)cc1	408984215	QAOIVOFICZNLOA-GRSHGNNSSA-N	555.812	6.242	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1	409009752	HXIBPLWJEWOCCR-MBTHVWNTSA-N	534.663	5.263	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc(Cl)c1Cl	409019825	XQNGSIHRYBAPSF-LYAMCFEYSA-N	519.256	5.749	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(Br)cc1Br	409021213	ZDABMSNSKXKZKY-MXAYSNPKSA-N	520.221	5.683	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCc1cccc2ccccc12	409021970	BCOABGWPFOEICB-IDWIKUEFSA-N	545.639	6.623	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	409038630	PSGQVDFZFPXFSM-ZSNJKBEMSA-N	631.486	8.069	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)Cc2c(F)cccc2Cl)cc1	409059387	WYZLOZHQQSYTJU-WKULSOCRSA-N	516.038	5.252	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCc1cccc(Cl)c1	409070553	ZNZIVEZIJBMKRW-HYARGMPZSA-N	507.417	7.245	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cccc(Cl)c2)cc1	409115318	LWFWQISXIZDKGY-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1	409130770	UTSOQOYXZRYHPI-QFIPXVFZSA-N	528.834	5.420	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C)cc1	409131999	OBRYEPNPRRXPKS-DEOSSOPVSA-N	522.443	5.465	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409177054	BTZRSCKYORRKDP-KBKYJPHKSA-N	553.196	6.016	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1	409183186	ATPMJTXOVZMMCE-HNSNBQBZSA-N	592.117	5.890	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)cc1	409189568	QNMOVHSZEFEQJA-MZJWZYIUSA-N	548.808	5.995	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)cc2c1	409189956	OHZLMLLPTDKXSB-QDTIIGTASA-N	711.250	6.292	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409225927	SZVIOTTVQIQHEB-FLTUVTEGSA-N	613.026	6.282	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1cccc(F)c1	409243088	VIANXUYHXPPVON-KKMKTNMSSA-N	547.450	5.215	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409248409	KDWHAKWZAFQBQW-FPJJECCMSA-N	550.409	6.119	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccccc1	409250115	PQQHIKWHBFQULC-HBFFOVPNSA-N	609.145	7.882	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)c1C	409256487	LOOVAPNCMUMIIF-YLYVUXRMSA-N	767.931	9.130	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409264735	PTPFCJSHAJJINV-AEVGBRMKSA-N	745.643	7.874	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409265373	UMSFXVAZMGHNFR-MTJSOVHGSA-N	595.437	5.788	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)cc1	409266649	XRTMEWBDSXJWSK-XJECJHNESA-N	675.008	8.059	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409271613	VJYJVLMATQHZGN-LPYMAVHISA-N	609.464	6.178	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1C	409273587	ZCOSFUAUIJEJQC-VXLYETTFSA-N	585.252	6.818	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1	409313887	JIBQAVRRXJQYIQ-RTBURBONSA-N	556.265	5.436	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409318464	VURRWKQCXSTZRB-KYHGBAKBSA-N	677.923	6.088	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1OC	409333085	IIHARAAIWICORZ-MBTHVWNTSA-N	529.818	6.019	50	40	KKGB	
O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409334574	TYWRJSLPMPANCQ-CCVNUDIWSA-N	555.447	5.761	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br)Nc1ccc(F)cc1	409361180	AAPPOYOOLYDSLU-ZRGSRPPYSA-N	549.194	5.132	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	409362627	RZYQPWWFLNSAPU-ZMFRSBBQSA-N	655.230	5.384	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1C#N)C(=O)Nc1ccc(O)cc1	409387171	OEDMPUMKPMKYOA-NVMNQCDNSA-N	647.210	5.598	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1	409394778	FSYPDDDIDSGWEF-UHFFFAOYSA-N	566.455	7.197	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395065	JKPMHZFIWVTYPE-UHFFFAOYSA-N	617.843	7.142	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409395156	KLWMYLBOGYVHGJ-UHFFFAOYSA-N	714.241	9.212	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409396436	YJAPHJYQWILIKW-UHFFFAOYSA-N	644.909	7.579	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398081	QHAZVCPEEXPMGD-UHFFFAOYSA-N	597.458	7.395	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Cl)cc3)o2)cc1	409400262	CIWQPDLYLIYBSQ-QMRORBIVSA-N	677.939	7.933	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)o2)cc1	409403840	OHAGZTMWVKRRLM-KDHRXPGNSA-N	612.730	8.017	50	40	KKGB	
C[C@@](Br)([C@@H](Br)C(=O)OC(=O)[C@@H](Br)[C@](C)(Br)C(F)(F)F)C(F)(F)F	885164248	ZELPMBBZBYPHTK-ZBKCKJIOSA-N	609.775	5.015	50	40	KKGB	
N#CC1=C(SCSC2=C(C#N)[C@H](c3ccccc3Cl)CC(=O)N2)NC(=O)C[C@H]1c1ccccc1Cl	2309954	VKOUTMOJGUIHEU-IRXDYDNUSA-N	541.485	5.795	50	40	KKGB	
Cc1cc(C)cc(P(CCCCCP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1	2381446	PNFUYWYDWIIGBH-UHFFFAOYSA-N	552.723	8.890	50	40	KKGB	
N#CC1=C(N)N(c2cc([N+](=O)[O-])ccc2Cl)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl	2761624	ACDSZFZFNCBEDY-QLXKLKPCSA-N	531.399	6.600	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1	2888316	NIHMRBKPSUPJDZ-NLTRVXJZSA-N	506.002	5.264	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1	4196455	KQIMYADILGNAHI-WOJGMQOQSA-N	542.227	6.345	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OC)c(OC)c3)cc2)sc2c1CC[C@H](C)C2	6167140	GUZFOQPHPLHGIU-XYIUREKKSA-N	593.702	5.237	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1	8427087	ATUDBRDPWBWVAS-CHSHITCJSA-N	716.426	8.418	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1cccc(Cl)c1	8812887	AMOMYONWFHGISK-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(N/N=C/c3ccc(N(CC)CC)cc3O)c2)c(O)c1	12498695	YAWKPNXBTYBCLK-LVXWCJCWSA-N	516.646	5.000	50	40	KKGB	
O=C(/C(=C1\SS/C(=C(/C(=O)c2ccccc2)c2ccccc2)S1)c1ccccc1)c1ccccc1	16954346	WGSSHGZTWZDQDU-ZUSIYWPSSA-N	508.689	8.618	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc(C(=O)O)c1	59303496	VPWSGVLLIGHAEB-ODLFYWEKSA-N	507.340	5.281	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1	97980899	BPHRIMISYJJBRP-NDZAJKAJSA-N	538.025	5.145	50	40	KKGB	
CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(Br)c1	98044608	SYXZEPKHAKTHNG-AABVJFSESA-N	652.512	8.755	50	40	KKGB	
CCn1c2ccccc2c2cc(NC(=O)C[C@@H](C)CC(=O)NNC(=O)c3ccc(Br)cc3)ccc21	98045477	FIKUWJUJJGDNQM-QGZVFWFLSA-N	535.442	5.393	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@H]1c1ccco1	98048534	OWXWIQDYAYXHAG-SANMLTNESA-N	580.632	6.876	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)OCCO2	100063620	NOQDXIMKVYESQX-STKMKYKTSA-N	590.101	5.969	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	100332119	NDIRFYHOKGEETK-KBVAKVRCSA-N	626.091	5.019	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1cccc2ccccc12	100335612	GCQDXCYHXHSFHM-ZVHZXABRSA-N	588.445	7.195	50	40	KKGB	
O=[N+]([O-])c1ccccc1SC[C@@H](Br)[C@H](Br)CSc1ccccc1[N+](=O)[O-]	101051483	AFOPXBFBUHKWMU-VXGBXAGGSA-N	522.240	5.914	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)c(C)c1	102865112	HXSPJQISIDSEKR-WJOKGBTCSA-N	549.696	7.524	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528910	ZZBMRGBKQQJUNU-UWTATZPHSA-N	541.995	6.481	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccc(C(=O)O)cc1	103845110	NRMVSCHDGUZXEQ-QQXSKIMKSA-N	535.600	5.448	50	40	KKGB	
C[C@H](S[C@@H](C)C(=O)N/N=C\c1ccc(Cl)c(Cl)c1)C(=O)N/N=C\c1ccc(Cl)c(Cl)c1	104379556	UHGXATLARCOQTN-NOXLKZEGSA-N	520.269	5.411	50	40	KKGB	
FC(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341996	LTTDFBCOGRIWIP-UWTATZPHSA-N	892.044	10.928	50	40	KKGB	
C=C(C)[C@@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@H]1SSc1nc2ccccc2s1	150392080	XIWJNWWOPFNDHF-JSWXEYCZSA-N	681.861	7.046	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cccs1	150439671	COXPLIDXUULCHW-AUEPDCJTSA-N	667.104	6.063	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1cccc(Cl)c1Cl	164748553	XJAKEDKBRZTKRA-YBEGLDIGSA-N	628.091	7.485	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Br)cc1	408526627	CSPVKCGPWKRKKE-MTJSOVHGSA-N	598.132	8.770	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2Br)cc1	408566532	HIMBQNQRQUGNPC-IUXPMGMMSA-N	541.218	7.179	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1C	408568733	WMVXRAUBAWPNEL-XKJRVUDJSA-N	599.150	7.407	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	408579044	CNEKYYKBQUXGSD-UDWIEESQSA-N	570.281	7.000	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1Cl	408586265	MKIRDIYTTUMWLB-NVMNQCDNSA-N	537.668	8.451	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3c(F)cccc3Cl)CC2=O)cc1	408610314	SSENXBKXSJHYLO-INIZCTEOSA-N	502.373	5.516	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408689278	YBRPQXRICZKWPI-IXFQNSDBSA-N	646.119	5.237	50	40	KKGB	
C=C1CC(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C1	408730806	HXKDOXCSHSTKNR-DXJNIWACSA-N	510.435	6.990	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1	408734723	ITRPPKFWRQECTR-VXLYETTFSA-N	511.803	6.544	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408763637	PZWBYWLMLGSEHS-BUVRLJJBSA-N	632.454	6.754	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2cc(C)ccc2C)cc1	408776050	SWXIUOMEFVCNSL-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccccc1Cl	408776186	UWTLAYXLWNFGNX-YVLHZVERSA-N	562.766	6.217	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OC)c1OCc1ccccc1C#N	408791357	WOCCUOIVSXDKPX-NDZAJKAJSA-N	555.634	6.999	50	40	KKGB	
COc1c(I)cc(I)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408795592	MCWBFTULIXQLOU-IZZDOVSWSA-N	608.999	5.213	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1c(C)ccc2ccccc12	408804103	VUXDWUPBVLUNCG-CIAFOILYSA-N	572.415	6.952	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408805370	AMZHTSFAJHZDCJ-BUVRLJJBSA-N	602.472	7.585	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1	408807507	CNJNJSOSFLMBKJ-GRSHGNNSSA-N	501.797	6.458	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)cc2Cl)cc1	408809921	LHVGYAJPQTUBPY-YBFXNURJSA-N	511.361	5.913	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1	408819886	YUEVBWVNKBGFIU-CJLVFECKSA-N	501.413	7.834	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1	408822270	LKCJOATWNIGIPH-GRSHGNNSSA-N	729.150	6.469	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4cccc5ccccc45)cc3)cc2)CC1	408834368	YDMSMSMTMQTDIT-XPGZBYHPSA-N	584.720	6.514	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1	408839326	QRAYHYUYIJHCMP-FABQOPTDSA-N	598.080	7.107	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408840223	CNJLYVGSFXVRGW-ALQBTCKLSA-N	682.593	5.708	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408841980	HMGSKQYMCHHKGL-PTEHHBOZSA-N	701.813	8.859	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408847260	UNIQZVWADDKQAM-IPPBACCNSA-N	614.363	7.550	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4ccccc4)c3C)sc3c2CCCC3)cc1	408852057	HKTQLPBOGZNQSD-MNBJERMJSA-N	525.678	6.751	50	40	KKGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1	408859041	SGONUMPSQLQSCK-MZFJOGFUSA-N	503.558	6.483	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408861962	CAEUXNPFSQZMPW-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)cc1OC	408862272	GMZJDBGCTBYFHN-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408863912	RRKVSYQBVJBISW-SUGRXFNRSA-N	796.549	5.558	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(C)cc2)c1	408867127	JYMVGBSZDCRMDQ-WCMJOSRZSA-N	602.496	5.925	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1Cc1ccccc1Br	408867533	LFVCXDRDKJYEPZ-UDWIEESQSA-N	509.831	6.946	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	408870247	WAOVHBGXNNNBCF-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408883794	WSFAHTGPDWIPNM-KBKYJPHKSA-N	553.196	6.016	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OCC)c1OCc1ccc(F)cc1	408904315	HVAUQKQMWAQWHZ-UHBFCERESA-N	540.433	6.758	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc(Br)c1OCc1ccc(Br)cc1	408908283	REVBHELDRAZIKY-KBVAKVRCSA-N	618.366	6.979	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1	408970375	GYPHPSQCEZBIOM-LHLOQNFPSA-N	533.068	6.980	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccco1	408996200	GSZUAHIPPMRDEF-OCSSWDANSA-N	531.952	5.567	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409003877	VRRWFIJUZGVXFU-IZYHBKOJSA-N	666.514	6.653	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409048748	TVEDVGXVOWBNPT-VCHYOVAHSA-N	588.380	6.348	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl	409083774	UMDKYNLBYIUPFI-NTUHNPAUSA-N	622.613	7.019	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409121513	YFXIMXGDWAZFCB-IZYHBKOJSA-N	763.063	6.070	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409124090	JCADSBGWSWHZKW-RUZDIDTESA-N	560.909	6.608	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)[C@@H](O)c1ccccc1	409146704	SNGJXCNIDZNIJG-HQYUJTHISA-N	662.265	5.812	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1	409150423	CAZVBGHPDUIWJD-VVEOGCPPSA-N	638.302	5.270	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccccc1CC	409151161	AISNVPUOFXSXCF-FJEPWZHXSA-N	557.434	5.061	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)cc2c1	409187543	RSDJGYIZJHRQGZ-DBFSUHOCSA-N	590.243	6.839	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409220943	IDLFXPRGMZRBHX-USHMODERSA-N	524.617	5.747	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1	409222940	FQOGUROLYZATFV-MSXFZWOLSA-N	547.159	5.103	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409225260	MMBMTYHIFTZQBH-YBFXNURJSA-N	510.377	5.243	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccc2ccccc2c1	409245360	ROFNBLGJBHFJAK-IPPBACCNSA-N	612.493	5.681	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409260783	WIFCEFMWBYPUQB-JAIQZWGSSA-N	548.983	5.827	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409264813	QSAMFXUHIHMWSH-RQRWGXNHSA-N	719.061	8.458	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1cccc2ccccc12	409320339	CTSADQMSYDRPAB-NDENLUEZSA-N	537.226	8.147	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1cccc2ccccc12	409325383	YINZAQVFZGIMLH-ONUIUJJFSA-N	534.453	8.797	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1OCC	409332541	HBZIYJOFTPLEMS-AAPHRLRXSA-N	675.252	7.492	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(Cl)cc1	409355126	JCOQEKISEHGDHK-APSNUPSMSA-N	666.511	8.499	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2)c(OC)c1	409371927	BWZFTJUCLBZHIK-OKCVXOCRSA-N	562.420	5.401	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	409373144	MSBLFHXLJXAIMY-AMVVHIIESA-N	605.259	7.103	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1	409375654	NOHPYZIPQWSXAY-FZKWRIDDSA-N	588.060	6.108	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1cccc(F)c1	409393791	SEBAPTLWQPSQSC-IUXPMGMMSA-N	568.611	7.489	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394497	BDVGGPFPIPJUIU-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)cc1	409395731	RCJNLCSPZVFWHL-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409396013	VFVNRFZVZQZFOS-UHFFFAOYSA-N	822.635	8.509	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409396803	BJEYREIEAUUNHN-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
CC[N+]1=C(/C=C/c2ccc([C@@H](Br)[C@H](Br)c3ccc(OC)cc3)cc2)C(C)(C)c2ccccc21	605822545	GZENMWNQKLXGBG-YJBBJLKTSA-N	568.373	8.377	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	1529548549	IVPUWTRRJDMBHP-ZBVWQCQISA-N	706.446	6.220	50	40	KKGB	
COc1cc(Cl)cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccccc1C	1531386411	JBGZUXHGOFLCPI-SAEPALGJSA-N	641.124	7.018	50	40	KKGB	
COc1cc(Cl)cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1O[C@@H](C)C(=O)O	1531386419	LIJOXTNWJYFGFR-HGNFZYRHSA-N	566.010	5.544	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1	1102298	GYGPVACCAJACFR-MUUNZHRXSA-N	559.091	6.364	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1	1816624	MDWLLQZGWJWVQZ-LGJNPRDNSA-N	527.393	5.392	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccc(C(C)(C)C)cc3)nc12	1880174	MZAUUVJJOQEOHQ-XQNSMLJCSA-N	578.488	6.194	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(COc2ccccc2-c2ccccc2)cc1	2637591	FAYOVQNFQNBKGZ-HWLOXFRGSA-N	548.646	7.549	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(CSc2nc3ccccc3s2)cc1	3254221	FIDZTNGQFBTPSU-OPEKNORGSA-N	577.323	6.583	50	40	KKGB	
COc1ccc(/N=N\C(=N\NC(=O)c2cc(Br)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2OC)cc1	5580801	ABCAFUPWMLRGJX-VGADOPFUSA-N	604.465	5.681	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	6074197	XMQITQVBHLNMNB-YSUFFMFVSA-N	547.891	8.143	50	40	KKGB	
Cc1cc(Br)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(Br)c1	8386511	CYGZGZWNGGJIOQ-KKMKTNMSSA-N	625.111	6.031	50	40	KKGB	
Cc1ccc(-c2csc(N3C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)n2)cc1	8715716	UBTNIHWAKJACKK-RXVVDRJESA-N	517.434	5.548	50	40	KKGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2sc3ccccc3c2OC)cc1OC	9144950	UYEJGJDGKFLQOC-MUFRIFMGSA-N	514.607	5.018	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	20150247	KGCKKFBMISZXAO-AREMUKBSSA-N	512.635	5.911	50	40	KKGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2C)c1	20243721	RPRHOVKPJWOFMN-KBKYJPHKSA-N	509.231	6.001	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)cc2)cc1	28214743	FDRQQNAXNXKGTO-ZCTHSVRISA-N	509.631	6.069	50	40	KKGB	
CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccc4ccccc4c3)c3ccccc32)cc1	46084857	HUAKACYOYIPUKB-BVNFUTIRSA-N	521.617	5.462	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)c(Cl)c1	59302197	XRGCTLZBWFLRNK-NUGSKGIGSA-N	504.620	6.917	50	40	KKGB	
COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC	97966516	ABFIIKNNPIJEQR-XDJHFCHBSA-N	600.052	6.803	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c(OCCC)c1	97980869	MQGXBYGHEWPDAZ-MTDXEUNCSA-N	530.046	5.482	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(-n2ccnc2)cc1	97981210	WNKUKRRIKPGJDR-GOJREDGKSA-N	616.118	6.210	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	100118648	YDXXQGVITDQXJL-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1)S(=O)(=O)c1ccccc1	100119624	HCUHAMNCBDSHSP-FDALDRLYSA-N	629.157	7.354	50	40	KKGB	
OCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100529743	MNBTZWGXQAMLCE-LURJTMIESA-N	546.105	6.082	50	40	KKGB	
C/C(=N/NC(=O)[C@H](C)Sc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1)c1ccc(Br)cc1	101063765	ANLNMVPLZOXSEN-QMMNGIHHSA-N	597.970	6.625	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	101080871	JYPHNDARIAPZRE-YKRMCXMESA-N	505.709	7.484	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl	101573318	KYBBEUJIZGRQLS-HHHXNRCGSA-N	576.505	7.587	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1	102808867	CDZGHDQTGJXSSW-NDEPHWFRSA-N	543.092	6.609	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	103899539	BJCOWZFQIWHTHH-RUMWWMSVSA-N	557.672	5.394	50	40	KKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	105586631	RCKXHIZBKACPDC-YSTJGOMZSA-N	559.544	6.255	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc(OC)c1OC	150347440	HHJCNYJZQXRHKF-ZQWBQZCQSA-N	708.403	6.913	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	150480885	YLDXIODHXNNQDD-IZYHBKOJSA-N	767.551	7.810	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1	408541480	BDYDPSAFMWGQCP-RGVLZGJSSA-N	583.857	7.480	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408541857	ICDYRQAYTDYTGK-NHDPSOOVSA-N	700.270	6.872	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408542422	LMNJWZDFCMVMAD-GRSHGNNSSA-N	566.364	5.579	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccccc1F	408553140	XWTDMISQIMABFJ-VCHYOVAHSA-N	522.001	6.424	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408641626	KSGGDEGRFOMWFC-FIRLOTFOSA-N	610.730	5.281	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408645585	SMDJMDWMDQPBES-DUUJBTRBSA-N	749.045	6.933	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408669449	HANQGXBSCNNUPX-NCOADZHNSA-N	554.666	5.327	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1cccc2ccccc12	408678034	XDXHUZWZNOQEOM-BIZUNTBRSA-N	558.476	6.554	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1cccc([N+](=O)[O-])c1	408723162	NSZKNCUHJLFAFT-VSPBFFAOSA-N	576.996	5.215	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)cc1	408752375	AFDLBQGDEMCAFI-HMAPJEAMSA-N	517.379	6.000	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1	408762676	QCTBSBKURGCIDE-VMCVTNGESA-N	543.689	5.571	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc2c(c1)OCO2	408763279	MMAIRQZQSOFRHA-IDUWFGFVSA-N	633.236	5.916	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1c(Cl)cccc1Cl	408783674	OIJKUNYCNRSVJI-DHDCSXOGSA-N	566.666	7.543	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1cccc(C)c1	408787989	HZHHSKCLTAWUPP-VXLYETTFSA-N	511.803	6.544	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(O)cc1	408789701	RGOFHTPUHXAOAV-CXUHLZMHSA-N	565.194	6.428	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408793234	DNDGNVXBVKTWAB-GIJQJNRQSA-N	594.720	8.241	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(I)cc1	408795300	LYGBUEJGCYJAME-WOJGMQOQSA-N	593.248	7.121	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408795521	MODBOJSNYFXYRM-VXLYETTFSA-N	607.275	7.430	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cccc(Cl)c1	408802076	CQIWLIIRENCFBC-FRKPEAEDSA-N	613.666	7.385	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(F)cc1	408810513	KWCRAWXVCFRSLA-UCQKPKSFSA-N	535.413	6.128	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	408816608	UCJKLSPIBLAGKA-YBFXNURJSA-N	586.280	6.662	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OC	408824221	HKONAHGGHGYDHB-WOJGMQOQSA-N	572.253	6.353	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408824274	GNOIONRGMKRFMU-ZMGVVAQMSA-N	629.522	5.383	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408824665	HCDIBLSXUVHVOT-HIWRWHBISA-N	641.360	7.057	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1OCC	408825780	GANUCURIZHXNMP-LQKURTRISA-N	550.464	5.136	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c(OC)cc1Cl	408827772	MFRDMORGOOTUSG-FRKPEAEDSA-N	552.241	7.442	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(I)cc5)c(Cl)c4)cc3)cs2)cc1	408839662	VFXDLAGPHGCJAI-KVAAJVFYSA-N	678.983	8.463	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(C)cc2)cc1Br	408839814	CMQHEKPZJGCSJL-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)c1	408842823	BXCYAMRMKUOJKS-BWAHOGKJSA-N	578.738	7.540	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408847370	VIVVALFYLNFWBL-KBVAKVRCSA-N	621.285	6.447	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O	408857585	LECOZYPRSACBMF-KKMKTNMSSA-N	601.306	5.124	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1c2ccccc2cc2ccccc12	408858474	SGLKVCDGVJPKBA-VFLNYLIXSA-N	537.428	6.504	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(F)cc2)cc1	408861859	BGKSSCIXFQBPQS-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1	408863553	SRGFGIXGZWCYPB-CCVNUDIWSA-N	527.484	6.037	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2cccc(C(F)(F)F)c2)cc1	408876544	PXHODBHTUCYTDC-FABQOPTDSA-N	582.648	6.075	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc(Br)cc1	408879840	FRCGNWKKWGUTRY-XDHOZWIPSA-N	552.381	5.889	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC(=O)c1cccc2ccccc12	408881651	LXGIWDZCUPHENS-CPNJWEJPSA-N	527.920	6.175	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc(C(C)(C)C)c1O	408882666	RRNUXXQSQBSAEF-XJECJHNESA-N	772.893	8.512	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cc(C)cc(C)c1	408883118	RKMGIJGUNLXLQE-ZMOGYAJESA-N	533.466	7.206	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccccc3)cc2I)cc1	408894087	IUQFDOIOANQSHL-DHRITJCHSA-N	596.206	5.547	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408948634	PQOCRNAUZDUWSX-WJOKGBTCSA-N	860.512	6.513	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)c(OC)c1	408950296	GTTNDXHBZCYZBR-OQMZEJBMSA-N	685.561	5.700	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCc2ccc(Br)cc2)c(OC)c1	408951390	ITCWGTMKQCYCNR-SXWOMVPGSA-N	760.436	5.528	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c(OC)c1	408957657	VISODAHKSIPPDO-WHNQQBDFSA-N	874.470	6.357	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC	408970736	CTMGCOYZQQHPRX-UQGPSBGRSA-N	636.314	5.064	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1I	408981885	DGTXCTDJBKXIAE-MLPAPPSSSA-N	589.611	5.113	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br	408983843	NSKAMOYKMAILQS-MLPAPPSSSA-N	542.611	5.271	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(SCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1	408994522	ZOBMVDPSIBHHCG-LPYMAVHISA-N	557.031	6.986	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409004941	YLKDTJNYSXNUID-NLLYSOFASA-N	729.491	7.058	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)ccc1OCC(=O)Nc1ccccc1C	409010671	CYNGSSHOCVBKPP-QDTIIGTASA-N	605.283	5.075	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1ccc(Br)cc1	409013587	MVTWYCCZUZNNER-PNQUVVCRSA-N	777.045	8.067	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(Cl)c1	409053744	OZFQQSAHQMKOHL-ORBVJSQLSA-N	605.541	7.823	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)Cc2ccccc2F)cc1	409111601	BBOVKGNCQRNANO-ZCTHSVRISA-N	531.609	5.268	50	40	KKGB	
CCOc1cccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1O	409116475	PKCHRFMIYJOZLZ-XODNFHPESA-N	570.882	5.092	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(F)cc1	409123390	GTCVEENLIFYRJB-HHHXNRCGSA-N	519.617	5.186	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCc4ccc5ccccc5c4)cc3)cc2)cc1	409135693	RTXPGDJLXVAFKW-PPOKSSTKSA-N	563.679	6.316	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1	409156367	OBFAHBBZIBLNHD-XKJRVUDJSA-N	592.277	5.479	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1	409170593	WLOUKEYFEZFAQP-MPRHAZATSA-N	662.246	5.890	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1	409173518	JFPCALAJCMZGCD-AMVVHIIESA-N	536.818	6.624	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409217193	AJJFFVRXTWZHAW-IDHDWFAQSA-N	568.029	6.292	50	40	KKGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(C)=O	409218466	IZLBYEAYXXUCML-FZPRHHONSA-N	630.997	5.418	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c1	409218779	KRNQTEPAVDHRGF-UHFFFAOYSA-N	572.961	5.492	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccccc1	409243847	VGAACNRAJJRSLK-IWEBCOIVSA-N	679.252	6.167	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1	409247434	CEWTVSFTUDCVNJ-RAWMCFOBSA-N	610.646	5.555	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409251101	OIULUUKDRIWVPS-ODLFYWEKSA-N	524.404	6.182	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409254641	DZIZHZNLXSGTBR-FYJGNVAPSA-N	548.437	6.028	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1	409257871	RDCLOLRZHCMWGD-YBFXNURJSA-N	527.930	6.539	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1	409260199	MKSBTOJUSANHLM-FYJGNVAPSA-N	625.463	5.879	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccc(Cl)cc1	409263844	CJCGBNLYGRPQBU-XCHWQBBTSA-N	570.871	5.583	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409264138	PDAGQSHJZWSPRI-YSYOEVFLSA-N	739.479	8.803	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409320077	BONHAXOSAWAYSL-HQDYHJHZSA-N	679.511	5.977	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1OC	409336502	SZAJISZWZXSWHT-ZMFRSBBQSA-N	589.355	5.238	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	409362640	SCZHYVPJGWNMOQ-NVJOKUIPSA-N	585.123	7.099	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409364340	PBDIAKBGMHGSGV-UNOMPAQXSA-N	507.949	5.749	50	40	KKGB	
COc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)c1	409368335	YQGSOLZJACDQFK-NUJZUDFISA-N	548.492	5.268	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)cc(OCC)c1OCc1ccccc1Cl	409369653	UMTTYVYSKDTBID-LQNQUEJISA-N	506.002	5.769	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(I)c1OCc1ccc(Cl)cc1	409375921	QVKCFPPPCUQVKY-CCVNUDIWSA-N	569.871	5.295	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)c(O)c1	409392253	OLCPHPPCAJGNOB-RPPGKUMJSA-N	611.230	5.119	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc(Br)cc1	409394531	BSUZBXRNZWNYON-UHFFFAOYSA-N	696.193	8.106	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccco1	409395164	KNMYFEMDIXDFQA-UHFFFAOYSA-N	686.154	7.699	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409395738	RDXJEHQSAFZGKH-UHFFFAOYSA-N	635.345	8.504	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396137	CRIPAMZUBLKUGP-UHFFFAOYSA-N	636.919	8.186	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cccc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396233	HUHCJTJAWZAKDG-UHFFFAOYSA-N	660.554	8.321	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409397446	JYSRYSHZXPHSSM-UHFFFAOYSA-N	597.285	8.432	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397501	KNHGRINKFYKGTI-UHFFFAOYSA-N	586.475	7.832	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccccc4c3-c3ccccc3)cc2OC)c1	409397648	MGSYBNRNTVNZPG-UHFFFAOYSA-N	519.557	5.835	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409398180	RONKOUHHWBCVFU-UHFFFAOYSA-N	636.424	7.608	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1	409408120	IRRVQIMHKYDNKA-OHUYPAJKSA-N	623.578	6.066	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc(C(=O)OCC)cc1	1529548567	JDEAOLBJCTXPKT-ZXFVVSEZSA-N	882.515	5.537	50	40	KKGB	
Cc1ccsc1[C@H]1C(C#N)=C(n2cccc2)N(c2ccc(Br)cn2)C2=C1C(=O)CC(C)(C)C2	1432885	HXVRHOBHQUWGRA-QFIPXVFZSA-N	519.468	6.655	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1c(O)ccc2ccccc12	2215776	OCMHZLQHNSCGLM-OKCVXOCRSA-N	540.670	5.427	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)OC(N)=C(C#N)[C@H]1c1ccccc1	8443127	KVDSJFGNBKWXND-RUZDIDTESA-N	554.697	5.978	50	40	KKGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1	9375151	HQGIPLVNICLIPC-HNSNBQBZSA-N	512.569	6.432	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(O)c1	9934553	UDHHXRQFZRDJKP-JWHWKPFMSA-N	528.656	7.127	50	40	KKGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	19926265	FBVFONDQWUYOMI-UHFFFAOYSA-N	504.096	6.312	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	40486404	GXRVJRFSTHNVBH-VWLOTQADSA-N	526.058	5.214	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	98000228	SHLHRIRQSDGTQT-JGCGQSQUSA-N	580.706	6.624	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	100505388	WNBBIMDSINDTMW-NUGSKGIGSA-N	602.033	5.671	50	40	KKGB	
CC/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc(O)cc1	100850604	ZXJBEJSACGNEQM-JBASAIQMSA-N	532.691	5.363	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3c(Cl)cccc3Cl)nc3sc4c(c3c2=O)CCCC4)cc1	100858826	OQNDLEOVCDSNOC-DBFSUHOCSA-N	557.528	6.184	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1	100990615	VOJQYIPBQUIWAV-UZEPBSNMSA-N	546.490	5.543	50	40	KKGB	
Cc1cc(=O)oc2c(C)c(OC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)C)c(C[C@@H](Br)CBr)cc12	101053252	KOKUZDLUKHUQFA-NFBKMPQASA-N	623.338	5.967	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	104704804	NNMNONHOFQEVIB-PPFNPFNJSA-N	600.697	5.000	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	109749036	XDYSWJXZEMRIDN-MYKKPKGFSA-N	578.173	5.371	50	40	KKGB	
CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341180	CXHCHHRDELZCFM-SCSAIBSYSA-N	752.087	9.505	50	40	KKGB	
CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@]2(C[C@H](Br)Cc1ccccc1)[C@@]1(C[C@H](Br)Cc2ccccc2)C(=O)[C@]2(C)CC[C@@H]1C2(C)C	150343173	DSLHNLQYIWSSJN-SGIFPWRQSA-N	696.608	9.802	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1	408538976	SGCSVYIVCWHLGK-ONUIUJJFSA-N	539.031	7.361	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2)ccc1OCc1ccccc1	408539329	VMMBEZKPTANTFK-CEUNXORHSA-N	532.640	7.406	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1cccc2ccccc12	408569760	PUSVIASWRYRJPV-DPNNOFEESA-N	684.621	7.430	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCC(=O)Nc1cccc(C)c1	408580234	NFCVPKHSGPEVKR-RQZCQDPDSA-N	593.248	6.997	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408644863	RYNLYMOFDMGDRY-IPJJNNNSSA-N	551.829	5.711	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408646112	VNRQMXSVSYZWJB-LCBMMCDXSA-N	638.740	5.033	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	408646773	UKVWKLDLDBVMPH-WFXMLNOXSA-N	521.828	5.406	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccc(N2CCCC2)cc1	408676746	NAFBQZUPNGIKAH-ZCTHSVRISA-N	528.450	6.545	50	40	KKGB	
O=C(O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	408687353	UOZLUUGJRZOEAZ-XNMGPUDCSA-N	597.292	7.790	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(Br)c1OCc1ccccc1	408739280	AWJVBKLCKWHWMU-WCMJOSRZSA-N	566.883	6.862	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408747206	KMMHTQBMCCNCEQ-MYYYXRDXSA-N	530.455	7.203	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408748104	YKIMIKMUVHOICD-ULJHMMPZSA-N	508.603	6.377	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccccc1	408749455	GYYQQWYCGODVSF-ZCTHSVRISA-N	500.982	5.314	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1C	408755181	MTZCONMBGVJJNI-IPPBACCNSA-N	564.396	5.725	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1Cl	408764749	SOBSAFADWLCANN-UNOMPAQXSA-N	511.803	6.626	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408776303	NJIRSCWEBYXQOL-APSNUPSMSA-N	512.231	6.165	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408790190	UWQNJKYPFPTQAI-CIAFOILYSA-N	535.394	5.979	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408794074	HUBOZMRZEVKJFU-VXLYETTFSA-N	661.246	5.663	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(C)c(C)c1	408801130	UBUNOQYJUSYOQG-KEBDBYFISA-N	529.851	7.787	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408802850	IETMNVZSCPRJDN-WSDLNYQXSA-N	531.439	7.897	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408811027	JXJKEHMZQSQPDE-XSFVSMFZSA-N	504.417	7.168	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)cc2)cc1	408827743	MOOKDHYRKNJJKZ-ZVHZXABRSA-N	622.346	8.768	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408829025	KHJIGQJKLBMLOX-FDAWAROLSA-N	624.513	5.540	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1)S(=O)(=O)c1ccccc1	408829440	JRCYBXAXJJVNNZ-JEPNHJGPSA-N	633.170	5.711	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC#N	408841384	GPNRMOPKNKVLJC-FJEPWZHXSA-N	576.476	6.300	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408842448	PAFZZFNQGGMQBP-HPNXWYHWSA-N	608.642	6.002	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OC	408843950	OEIXHQBVDMUBMP-WKULSOCRSA-N	565.493	6.796	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408845714	RBDDSIPEWPSWDJ-DPWJMMOYSA-N	624.428	7.392	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408858747	PCJLJACWSLWJNR-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)COc4ccccc4[N+](=O)[O-])c3C)sc3c2CCCC3)cc1	408860383	UPJJBNSMEMOQNZ-KYHGBAKBSA-N	585.686	6.032	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cccc(C(F)(F)F)c2)cc1	408867228	KDZHZTDPIVSUHI-QNVXDBMFSA-N	637.511	7.074	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(C)cc2C)cc1	408871773	ZNRKNZUMBRSJBM-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccccc1	408873838	WEEUXDDRLMYUNK-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1	408879974	GIFHAVJUQNGELJ-DEDYPNTBSA-N	536.382	6.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1c(C)ccc2ccccc12	408882922	RVINHNMICQIXPO-PCLIKHOPSA-N	569.499	7.997	50	40	KKGB	
O=C(N/N=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1	408905351	XQMWEDKJGVGAFL-MBTHVWNTSA-N	510.462	5.745	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)C(O)(c1ccccc1)c1ccccc1	408923498	IYQKJRZVRXEOPG-NDZAJKAJSA-N	515.407	5.414	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1	408940689	CTQLNCSLWFJNEQ-GDLZYMKVSA-N	655.148	5.342	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)ccc1Br	408953452	WKILTIYXCKADGT-GATIEOLUSA-N	503.784	5.672	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc2ccccc12	408956501	XQLIRBVUKRIIQK-MYYYXRDXSA-N	536.031	6.828	50	40	KKGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408962611	IIURVPLUBZQRRD-AJBULDERSA-N	502.530	6.189	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1Cl	408964386	RGNGFIFVXYUZPA-XKJRVUDJSA-N	541.751	6.473	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408971081	LRPLOKXIUUMBOX-TYXQBPODSA-N	593.305	5.410	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(Br)cc2/C=N/NC(=O)c2ccncc2)cc1	408972875	WNUORUMLNPDRIY-TWKHWXDSSA-N	540.458	6.025	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(Cl)cc1	408982145	GGBLYFJVQALYRS-VCHYOVAHSA-N	546.248	7.198	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1cccc2ccccc12	408984378	QHHHPVUGKIBIQS-XKZIYDEJSA-N	517.412	7.588	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1Cl	408985062	UUHLSWNQNPMPFP-IUXPMGMMSA-N	733.569	7.745	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	408988186	DATQOAUMGSXURH-RSYZFQSUSA-N	606.689	6.976	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1	409026818	ZAKJIOKKOIVSFE-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1ccc(Cl)cc1Cl)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028892	SOPSDFJQUQNPAI-WBILBPDKSA-N	506.411	5.091	50	40	KKGB	
COc1ccc(-c2cc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)cc4Cl)c4c(C)cccc34)c3ccccc3n2)cc1	409036722	LTUNMNLMXNCSCM-GZOMZLSJSA-N	607.541	8.601	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccccc1C#N	409056610	SDWSYDARWOFFBZ-XODNFHPESA-N	512.791	5.634	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409073007	OJOQHTIWQRBONX-FYJGNVAPSA-N	541.862	7.899	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409077907	BETOUTHVGXYCKS-XNTDXEJSSA-N	562.298	6.723	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1ccccc1C#N	409102624	BMEWUGZSADAEKR-VWLOTQADSA-N	501.926	5.136	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)cc1	409172921	MVYSVTJILAMYNV-ROPCREHHSA-N	604.969	5.039	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1	409185230	UOVGRBTYUBQMGC-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409192023	SLZMWGWBEUQFRJ-MZJWZYIUSA-N	577.806	5.125	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	409219821	VGFHPCPMDYQKFW-WEIIPEJZSA-N	560.053	5.231	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409250576	MZUPSUNXYLYJNQ-NODHBZRGSA-N	556.446	5.483	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409256423	OMNVXXAIDMSWHJ-NVMNQCDNSA-N	569.401	6.172	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2Cl)c1	409268635	WWPRPAXVCDZPID-LICLKQGHSA-N	603.698	6.737	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(Cl)cc5)c(Br)c4)cc3)cs2)cc1	409268773	AFVDOOQKRZSLHQ-QMRORBIVSA-N	675.008	8.059	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)ccc1OC	409314814	HHIFCBNPZFJJRY-YNFMAFFXSA-N	659.355	6.190	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCc1ccc(Br)cc1	409323282	NEACSBDGUUNPRU-HQDYHJHZSA-N	715.382	7.383	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409361220	BAWSDPVVXGCISG-LDADJPATSA-N	538.373	5.550	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cccc([N+](=O)[O-])c1	409371383	IEKVKABIERXAKQ-SOFYXZRVSA-N	677.063	7.754	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)c2ccccc2F)cc1I	409371707	KVMXTHCZZOTAEJ-JYRVWZFOSA-N	531.106	5.664	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1	409371921	BQUUOHKEUBIUKX-WKULSOCRSA-N	507.359	6.093	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1cccc(F)c1	409373953	WNULLYKSFPCYDN-WCMJOSRZSA-N	551.412	6.492	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccccc1Cl	409385285	IYZXMWFUKDNCOP-XODNFHPESA-N	588.867	6.967	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398897	WGLGFLPLHCLMKA-UHFFFAOYSA-N	711.794	8.014	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1O[C@H](C)C(=O)OCC	409401058	GEZPXJBOXCHMCG-OUEAQLEQSA-N	613.711	6.488	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1O[C@@H](C)C(=O)OC	409403435	MXEOSWFVTVBNPK-LIZYOPNSSA-N	594.064	6.022	50	40	KKGB	
C=C(C)[C@@H]1CC[C@]2(C)[C@@H](C[C@@H](O)[C@@H]3[C@@H]([C@](C)(CC[C@@H](OO)C(=C)C)O[C@@H]4O[C@@H](COC(C)=O)[C@H](O)[C@H]4O)CC[C@]32C)[C@@]1(C)CCC(=O)O	1534690827	JZASRXZWIPRQHB-GLERFUGOSA-N	680.876	5.263	50	40	KKGB	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@]2(C)[C@@H](/C(C)=C/C=C(\C)C(C)C)CC[C@@H]12	1560406209	LDQHQYBDQAOWFZ-ZXEHRSLGSA-N	508.907	10.735	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1	1790464	OYAFBGSNTVUHOM-RKZIHRPTSA-N	542.875	6.389	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2696126	GNODMOUEKADGEP-OKCVXOCRSA-N	563.083	6.344	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	3082577	IQHRGPXOANZACH-BZNSLHSRSA-N	577.706	5.767	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)=C(C#N)[C@H]1c1ccc(C)o1	3303224	GOVTYJXZCGCUBP-MHZLTWQESA-N	511.603	5.476	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	3765000	IZNJTWCKUBOQMK-DJKKODMXSA-N	560.275	7.506	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3cccc(OCC)c3)c2-c2ccccc2)cc1	4047899	YWDYZAGBGFFCCS-JBASAIQMSA-N	581.672	7.932	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)SC(N)=C(C#N)[C@H]1c1ccccc1F	8411594	UIGGUXMPHKOZOJ-XMMPIXPASA-N	534.682	5.885	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)OC(C)C)N1	12250139	JWTUACIMHFFGOQ-NRFANRHFSA-N	506.411	5.606	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CCC2	12372216	XPIGPDJVERDJLB-QFIPXVFZSA-N	517.684	5.146	50	40	KKGB	
Cc1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	12524731	LXPILTLQBQALOL-CJLVFECKSA-N	518.543	5.594	50	40	KKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(C(C)(C)C)c1O	13388040	KSHZUWCUVAIMRI-OQLLNIDSSA-N	500.393	6.204	50	40	KKGB	
C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1c[nH]nc1-c1ccc(Cl)c(Cl)c1	15930305	BYDSAPYANUCUHE-UVPDUMAMSA-N	509.393	5.880	50	40	KKGB	
CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1	20573160	CSQNVSHYQLGMOS-MUAVYFROSA-N	520.633	5.953	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58917204	YRIINKNKNCLWDK-SCKCSEOVSA-N	520.073	7.327	50	40	KKGB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c1	59105069	AGGMVSWUGCSYLS-XKZIYDEJSA-N	500.986	5.281	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NC[C@H]1CCCO1	97946464	FWYUTOVAEYRSSH-AUVCNTQQSA-N	573.480	6.627	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1F	97972310	UNCAESKUJKFVGC-YVLHZVERSA-N	519.787	7.309	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1	100104567	INYHWUHFFQWMNT-UXHLAJHPSA-N	563.035	5.716	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	100123574	UORQCSNLGHUOBC-STBIYBPSSA-N	610.490	5.110	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1)c1nc2ccccc2s1	100816520	JYLJQNKOGBSBRX-FCDQGJHFSA-N	543.670	6.144	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3Br)nc3sc4c(c3c2=O)CCCC4)cc1	100852516	WMNBSZSJKIXDTN-MUXKCCDJSA-N	567.534	5.639	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(Br)cc2)cc1	100989394	NDUZOJOKJWMBQF-YMGIJWJESA-N	563.433	5.731	50	40	KKGB	
O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)NNC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl	101432490	UXXLKSUYCIJOGL-UHFFFAOYSA-N	588.322	7.720	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2-c2ccccc2)cc1	103888893	UWPANVNWVCSQGG-NHFJDJAPSA-N	606.509	8.840	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164696972	WLGGDAXPEWBADK-JCMHNJIXSA-N	628.308	5.888	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2OCC)ccc1OCc1ccccc1	408538658	BEIXURCIFMSYAL-JVWAILMASA-N	585.056	8.268	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408568462	JIIDMVSEXSKHHL-PXNMLYILSA-N	540.292	5.858	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1I	408569164	MCODEWJPOHYJFB-FOKLQQMPSA-N	654.333	5.302	50	40	KKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)c1C	408570164	SHRMAVYOSAGUDA-RWPZCVJISA-N	523.680	5.197	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccccc1	408581928	ZYWCYMAWAKDDPX-CIAFOILYSA-N	541.385	6.350	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Cl)c(Cl)c1	408585116	AJRAYSPTNMQFLG-MFOYZWKCSA-N	504.167	7.307	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc(Cl)c(Cl)c1	408585889	JWQYMAUOBKPZGX-APSNUPSMSA-N	710.962	8.608	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1	408610300	NJANETNOFQFETF-MUFRIFMGSA-N	514.409	5.840	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@@H](Br)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Br)cc1	408676048	CSHRSYHCUKPVGM-BDYUSTAISA-N	652.295	7.154	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408676364	HRLDRAKZSGWTJJ-OCSSWDANSA-N	566.452	5.489	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1cccc2ccccc12	408711752	IVSXDAUDOSBSKD-OKCVXOCRSA-N	629.292	6.949	50	40	KKGB	
O=C(N/N=C/c1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12)c1ccc(Cl)cc1	408734308	WURPPVPTVJVWBW-FJEPWZHXSA-N	519.409	7.344	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)c2-c2ccccc2)cc1	408742167	NNCDXXGHWREFJV-JBASAIQMSA-N	537.663	8.373	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)c1	408744937	IILIZWHPOQSCQY-JMIUGGIZSA-N	536.813	6.498	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12	408752386	AHJRZIOQMXGUOB-CVKSISIWSA-N	554.378	5.042	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccccc1	408776019	KXSUGKLHFZYCOZ-XKZIYDEJSA-N	505.412	6.589	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408787526	BHWKEUCODLHTER-GIJQJNRQSA-N	700.154	7.662	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cccc(F)c1	408789190	OKHBTGUUVANSON-VCHYOVAHSA-N	511.347	5.817	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)c(C)c1	408792282	AFFFYEBWRLSSRL-VXLYETTFSA-N	621.700	7.449	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)NCCc1ccccc1	408813696	QZCHBABULYLSCI-FYJGNVAPSA-N	634.255	5.741	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)cc2)cc1	408828111	LNPBWXAHTIPBNZ-BUVRLJJBSA-N	577.895	8.659	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2cccc(C(F)(F)F)c2)cc1	408828146	JEDMLMQJBPSKTJ-MWBNBJEGSA-N	596.675	6.384	50	40	KKGB	
CC(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408829885	OXVLIFXXSSKXHA-OPEKNORGSA-N	514.818	5.101	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408830143	RIYPLYUMFWLMDE-XZYGTATASA-N	595.643	6.247	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccccc1	408834185	UOFOACKIRGBIKO-ZVHZXABRSA-N	652.372	8.858	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Br	408834916	WFPCORXAVSAMIN-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408835755	ZEWZOONPJHMCNS-ZVHZXABRSA-N	618.473	8.004	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC	408837249	AWWXFOGFYVBFQL-HNSNBQBZSA-N	668.566	5.400	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1	408837838	OSQIHHONBNGKGR-FMFFXOCNSA-N	621.115	5.102	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838213	CVFSSVPJIKGROE-CDLBOOTPSA-N	840.912	9.912	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838340	DPLPQSGIUBBOIC-PTEHHBOZSA-N	733.846	9.461	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1	408840212	YJWRERYLQREWLD-MZJWZYIUSA-N	521.986	5.545	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408856071	IQFHCBHRIIIFCK-BCHBDCPOSA-N	652.093	6.971	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccccc1	408858843	QESNXXGIJXQMNG-LQKURTRISA-N	552.996	5.162	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2cccc(Cl)c2)cc1	408859824	TVECJEOKBZGQLW-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
Cc1c(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408876892	QWHYKNKLJAIGIP-IURWMYGYSA-N	625.494	6.417	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408885141	XWCUTFBLOYUCOV-FDALDRLYSA-N	617.649	6.783	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408889963	LUTVSCLNPAEPMX-LZYBPNLTSA-N	547.192	6.789	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(I)cc1	408894539	IHSJYBFISJSCBL-LDADJPATSA-N	514.750	6.069	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccccc1Br	408900587	WJJGYWGRQZKVAU-LICLKQGHSA-N	607.217	6.326	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2	408912722	RSPGWCYLKMNAPT-DPNNOFEESA-N	603.469	5.542	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408943288	HMBSMSTVEDRHBO-YTTGMZPUSA-N	643.165	5.957	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c(OC)c1	408949214	FACVUEQPCKPJQE-PDQWDMBESA-N	675.953	5.955	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OCC)c2)c(OC)c1	408950367	GZTXIIBYVYKOKF-OQMZEJBMSA-N	821.463	5.760	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	408952627	WIIUPQQFDSIMQE-MHZLTWQESA-N	645.540	5.597	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12	408969594	QMBABWHRCZBWRZ-NQZFRZEGSA-N	650.603	7.573	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc(Br)c1	408970420	HPMASVYWAYPGIC-YTBMSWETSA-N	529.262	5.204	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(F)cc1	408985084	VASXRNPOZBJPMJ-YBFXNURJSA-N	543.820	7.073	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409002030	LQRPQOVNQWRPHS-LSJKGLAVSA-N	665.382	6.811	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1ccc(I)cc1	409010359	KCFLVLPYFPXTAT-VPUKRXIYSA-N	857.018	7.361	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409026956	KSDAOXYOJQIQQV-LQKURTRISA-N	550.464	5.136	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccccc1	409038577	AAZOXJAYNLNWIS-WOJGMQOQSA-N	555.328	5.290	50	40	KKGB	
C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409043902	BINGUWJXYTWNLZ-NTUHNPAUSA-N	530.138	6.341	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1	409044150	OAGTZNPENABAPH-XMHGGMMESA-N	554.002	5.215	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409049048	PWRZOVRUSPYPQJ-KEGTUQKMSA-N	639.180	9.856	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	409056292	CHBJHPBKTKHDKI-RWPZCVJISA-N	534.465	5.042	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409069039	UJZUKEIMZAZCBQ-CJLVFECKSA-N	500.576	6.095	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1	409157107	HSGQALMSZLSSFM-XAZZYMPDSA-N	591.879	5.714	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1	409171068	XWLNPOCVEIRJPX-KNBZMSCYSA-N	734.172	5.784	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1cccc(C)c1	409219737	ULLNNYWKFJMWTF-UHFFFAOYSA-N	521.573	5.547	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409226541	UJNYUXYWNJWMCW-XDHOZWIPSA-N	568.855	6.373	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)ccc1OCc1ccccc1	409259330	YUHXYQWYTWQGGL-GXBUFBABSA-N	567.642	5.763	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)cc1C	409259459	ZJRSTRNHESJCKL-VCHYOVAHSA-N	601.270	6.531	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br)Nc1ccccc1Cl	409268936	ZWESXODZFMPGSP-BCHBDCPOSA-N	600.094	6.300	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409270123	CLFULMGQRSEEQF-NUJZUDFISA-N	603.311	6.009	50	40	KKGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	409328216	ZZWGMBOYOUIMTQ-YKQZZPSBSA-N	602.469	6.220	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1	409373227	OYCVWEZKGPEIJY-LQKURTRISA-N	536.369	5.796	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1	409373866	VSMVNEVQKSKWIT-WKULSOCRSA-N	570.814	6.449	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc(Br)cc1	409399349	ZUEYJEQBIZXGGX-UHFFFAOYSA-N	538.401	6.581	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@@]12C	503915772	AFNDTSIACJAGSO-ZMHMINGHSA-N	551.768	9.808	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)nnc2-c2cccnc2)cc1	2710216	RRGWOEGQQHBSFI-CCVNUDIWSA-N	527.437	5.277	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1	3658268	UQCKKXIZXBLERT-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)cc1OCc1ccccc1	4196437	ALECOMSUMYPCKI-KBKYJPHKSA-N	613.100	6.031	50	40	KKGB	
COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I	4211339	JBZASAGYOCJBLT-VZUCSPMQSA-N	564.548	5.103	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)sc2c1CC[C@H](C)C2	6167132	MGUKFYCYCXLKNF-VMXPUGAISA-N	602.540	6.526	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc(C(=O)O)cc1)=N/NC(=O)c1cc(Cl)ccc1O	8665774	GKSLQSVMJAZWKM-WRPYJIPYSA-N	557.998	5.561	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C	8812767	NDTGSHAGTYRPHN-WYMPLXKRSA-N	505.210	5.392	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)c1ccccc1	16734329	GKRPVLKFXXYFJK-VXNZKSKFSA-N	515.367	5.034	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\C=C\c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1	19861355	RKERKRZNNNCYCL-SNCHCQLXSA-N	514.676	5.542	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1	19926439	UWJDRJCUSKTKBC-TURZUDJPSA-N	518.466	5.622	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccccc1	19949611	AJQLHDDBPZYBHW-UHFFFAOYSA-N	518.123	6.621	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2cccc3ccccc23)c([N+](=O)[O-])cc1OCc1ccccc1	28616205	WJFFBICLMJSCJF-NTFVMDSBSA-N	501.564	5.578	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1Cl	59485153	HAYDLNYTXHPBHV-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	95681629	LFSNWCISDMSHBB-UHFFFAOYSA-N	564.541	6.735	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(-c4ccccc4)cc3)nnc2-c2ccc(C)cc2)cc1	97959538	MIHAUBCQPGYTOO-RGXNXFOYSA-N	533.657	6.161	50	40	KKGB	
COc1cc([C@H]2[C@@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Br)c1OCc1ccccc1	97959966	FWRZQYFLQSUICM-AIUHUKMKSA-N	571.519	6.903	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1	97968704	QPKLDFXUOKSIBW-IYQUHZLLSA-N	532.065	5.442	50	40	KKGB	
Cc1ccc([C@@]2(C(F)(F)F)N/C(=C(/C#N)c3ccccn3)O[C@H]2C(=O)c2ccc(Br)cc2)cc1	97981169	AEPPTCQQDBSTRG-CWMPYYDISA-N	528.328	5.674	50	40	KKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4cc(Br)c(O)c(OC)c4)CC(=O)N3C2)cc1	98048412	REQDRAFIJKIFEW-IBGZPJMESA-N	528.472	5.725	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccccc1	100123015	XKXDMWIABXXDML-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccccc1O	100178442	MHSWQXSMGWFFIT-MASGQBSNSA-N	547.998	5.012	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240858	DEEBEEAEOSREHF-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(Br)c1OCc1ccccc1	100335528	VOTURVBFXZUDST-RQZCQDPDSA-N	526.318	5.630	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1cccc2ccccc12	100843115	WMQLFIQJJVANLW-MNBJERMJSA-N	546.483	7.027	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100991286	RNQULPCBOVOPSW-HVBJHMBASA-N	587.326	7.129	50	40	KKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(COc4cc(F)ccc4[N+](=O)[O-])c3)c3ccccc3n2)cc1	102356156	GTSSSSABHGOPGA-XZYGTATASA-N	594.599	6.699	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C)cc1	103883468	SWUBNIJFODOAOE-JLPGSUDCSA-N	546.465	5.601	50	40	KKGB	
Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)n1	104129588	LONTWTMKASWOPZ-UHFFFAOYSA-N	531.427	5.841	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4Cl)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709400	KYRPLKFGRSHVBR-MGCYRKIBSA-N	562.135	6.957	50	40	KKGB	
FC(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342305	OPIBYCMWJVQILA-UWTATZPHSA-N	842.037	10.293	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	408581044	SYWARRIZVANQPG-LDADJPATSA-N	563.267	6.442	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Br)c3)CC2=O)cc1	408603890	HIRGTVOMFIUEBW-QGZVFWFLSA-N	544.833	5.186	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1	408604292	HZKBZHJOFCQXGN-KRWDZBQOSA-N	514.409	5.467	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1	408611661	RLRUAFAOWRFVPC-RWPZCVJISA-N	500.382	5.450	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408612158	XTQZTKLBBLAMOO-IPPBACCNSA-N	514.409	5.677	50	40	KKGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1	408613278	YOZBBSJUQWIYEF-NKZWWHGNSA-N	514.807	5.009	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)c1	408636820	CUBHZTFPXPQVDS-AMGIVPHBSA-N	568.497	7.341	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408643575	PTIYXZYUTZWNPH-WOZUAGRISA-N	727.189	5.968	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3cccc4ccccc34)cc2-c2ccc(-c3ccccc3)cc2)cc1	408724049	DDXOIUWVXDSQTC-QCFMCPCVSA-N	506.609	7.432	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(I)c2)cc1	408745232	QLSYZFDWTGWQKQ-ZHZULCJRSA-N	524.358	5.815	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408761743	HGHWKUSVPBSOSB-UNOMPAQXSA-N	548.386	7.042	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccc(F)cc1	408774088	AIJUVSLCGXAAJC-BKUYFWCQSA-N	523.402	6.674	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(Br)c1OCc1ccccc1	408784183	UEJCVVSMQJRLGL-XKZIYDEJSA-N	535.438	6.760	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408792084	HOCSDZDKYOSZTC-RGVLZGJSSA-N	521.367	5.589	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(C)c3)c(OCC)c2)cc1	408793787	GNBFBUKQJODOKN-OEAKJJBVSA-N	610.448	6.300	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408798905	XFQVDJQHBLRFJA-CAOOACKPSA-N	637.655	6.530	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OC	408799458	ZJASMQFXIHMIGV-XDHOZWIPSA-N	540.357	5.433	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2ccc(Cl)cc2Cl)c1	408802374	ZPDRXXXRDIEASD-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc2ccccc2c1	408808286	DUESRCBBCAIKGE-UCQKPKSFSA-N	545.408	7.265	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccccc1	408822154	BMRPEGLWXOTRMW-PCLIKHOPSA-N	617.927	8.205	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408824285	GOIIPABYIMNZSV-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4ccccc4C#N)cc3)cs2)cc1	408840896	CYMRDAWTTOGXKA-ALQBTCKLSA-N	543.652	7.077	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccccc2Cl)c(I)c1	408847860	VMBIMYVIIQTLLM-JJKQSNDFSA-N	670.882	7.435	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccccc1Cl	408849843	ZQXFFDGVJWEWML-UVHMKAGCSA-N	578.872	6.231	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2cc(Br)ccc2o1	408851944	BZUVSVOZDVZTBM-DANHRZQXSA-N	722.986	8.212	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc2cc(Br)ccc2o1	408855357	CMIPCEMTLALMMW-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408858144	MSYUQRQQTKDFPN-YPXUMCKCSA-N	587.641	6.669	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(F)cc1	408858295	RODXHLGQZVWSER-CIAFOILYSA-N	509.375	5.789	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)N[C@H](C)c3ccccc3)o2)cc1	408869312	QUSOPMIUGPIMON-CPJHJSKFSA-N	627.550	5.613	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2)cc1	408870682	UGYHSJIKWPCGGD-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)c(Br)c1	408883500	TVMLKKOHNVQZBI-GHRIWEEISA-N	576.266	5.833	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	408884162	XAHPRQMYUJYMQC-UETZHSTJSA-N	608.536	5.928	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(Cl)c(Cl)c1	408892317	YNWCLXHGAZQEJZ-XODNFHPESA-N	552.252	6.506	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cc(C)cc(C)c2)cc1	408892443	ZIVUHJZDTBKJKG-LPYMAVHISA-N	519.395	5.977	50	40	KKGB	
Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)c2)cc1	408897869	UKUMYGBWGHCSGP-XDHOZWIPSA-N	508.315	5.365	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OCc1ccccc1C	408924958	PTGDTZLEMLUDEJ-CCVNUDIWSA-N	510.015	6.010	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1	408941561	DWLJERHVVDMSTM-GDLZYMKVSA-N	773.606	5.062	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408948016	ONSKVPDGNGWBHR-YTTGMZPUSA-N	687.775	5.186	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)c(OC)c1	408952110	JWZRFNIKQPREFH-OUIUOFGZSA-N	651.116	5.046	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12	408969657	RQILZSUOGBYRMX-FCYDXQQWSA-N	564.469	5.800	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408969919	WVUQYDAZHURUJT-YACDJIASSA-N	619.332	7.205	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl	408974370	YKVMUIKPPAKTMD-NUUWPSBESA-N	553.273	5.945	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(Br)cc1	408977432	DHQOYKRHKZVPSD-PYDFSNLISA-N	600.513	6.438	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccc(Cl)cc1	408993966	XSFFMLLYKIXXFF-KMVFSOCUSA-N	576.053	5.029	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	409013671	CMQIJXUARQTEJK-FZPRHHONSA-N	522.992	6.708	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccc(C)cc1	409030575	GHXZDVNYIPWHJU-FABQOPTDSA-N	627.564	7.976	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409042138	BNEFXJZUJFSZMZ-DLCNMLRHSA-N	696.770	8.265	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(C(=O)O)cc1	409043188	YAGBDAKUCNECRO-APTWKGOFSA-N	531.568	5.952	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1	409087131	ASHIBTDEELIKII-GZTJUZNOSA-N	620.378	7.511	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1cccc(F)c1	409095971	IYEHQTCWZYJZFK-HSZRJFAPSA-N	525.330	5.123	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1	409112293	CDFBOGKFNLDDAF-MWBNBJEGSA-N	677.006	6.979	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)cc2)cc1	409117820	OHXMYXZBXLHWHT-BIZUNTBRSA-N	591.089	5.255	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1	409118599	ONBGBWKWHQXXFL-VKVKMMGJSA-N	622.412	7.058	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)n1-c1ccccc1Br	409127752	RFMOVOGQPLDROV-KBKYJPHKSA-N	525.299	6.547	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C#N)cc1	409145617	OPLYKPPUCJHCNV-QDTIIGTASA-N	528.790	5.091	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1	409183404	BYMLDHOMNYXUMS-KCSSXMTESA-N	583.541	6.309	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4C#N)c(I)c3)cc2c1	409183752	FYFMKLWJCVUIOX-CPDSRJINSA-N	644.263	6.413	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)c1	409224427	KBORIJLGYMTEDJ-XHUYUCAKSA-N	564.554	5.238	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)ccc4OCC(=O)Nc4cccc(C)c4)cc3)cs2)cc1	409252047	RNGSBRLFBCXCIL-AEUUOICLSA-N	654.590	7.714	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(F)cc1	409262485	HHAAZZSVDRDYGV-LFIBNONCSA-N	528.765	5.805	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	409272911	UFDGHTYAQDDVQD-YVLHZVERSA-N	603.698	6.737	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3CC)NC(=O)[C@H]2C(=O)OC)cc1Cl	409313625	QETVDQBRMOVPRS-YADHBBJMSA-N	562.475	5.064	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)ccc1OCc1ccccc1	409313989	DSRHVXMQSVULFO-DLCNMLRHSA-N	672.801	8.186	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	409314561	SBUXFJIRZWZSDJ-OHUYPAJKSA-N	602.485	6.127	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1OCC	409315411	JJPYMARVYVPCPA-MWLSYYOVSA-N	529.406	6.119	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(Br)c2)cc1OC	409320919	CWKUNIWNTGKKTQ-FMCGGJTJSA-N	514.214	5.172	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc2c(c1)OCO2	409361455	HIKHJHUAEWBSBC-IDUWFGFVSA-N	641.630	6.921	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1ccc(F)cc1	409365722	WOUVQAOBIWWRAU-OJYCWLPVSA-N	585.632	5.984	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccccc1	409366886	ZYTKKHCBADPUHC-OCKHKDLRSA-N	511.315	5.672	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	409373198	OJTOZWVWIQJHTL-AMVVHIIESA-N	680.255	6.540	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	409373297	PVGGBNIDAGBYTM-WCMJOSRZSA-N	576.447	5.709	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccccc1	409374488	QZSNNASVIBZIQJ-ODLFYWEKSA-N	521.358	6.128	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409379600	YJENSHIWBQADNH-MUXKCCDJSA-N	516.381	5.182	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2F)ccc1OCc1ccccc1	409380622	OOERAGAEYAUYEF-APTWKGOFSA-N	541.579	5.585	50	40	KKGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1)Nc1ccccc1F	409380829	BAWMZKOYSTWITC-OHUYPAJKSA-N	565.630	6.474	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409383589	XPFLEDJAAUOLAJ-RODHXAHZSA-N	644.128	7.445	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409389473	ZZVHTBVCXDCNSV-PDGQHHTCSA-N	584.854	6.073	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395188	KUMPFHYJSDOEPE-UHFFFAOYSA-N	789.522	10.610	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c(-c3ccccc3)c2c1	409395408	NFSPDOBOFCSXKP-UHFFFAOYSA-N	651.311	7.335	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cccc4c3-c3ccccc3Cl)cc2OC)cc1	409398170	RMAQDNUEUHPRRJ-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)cc1OCC	409398203	RRTZMNQWNLPJIE-UHFFFAOYSA-N	616.501	7.922	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409399292	ZBWJHGFMEPHMED-UHFFFAOYSA-N	583.000	6.778	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc34)o2)cc1	409401032	GCAMXJKAVBXUMF-FIBXFRIOSA-N	638.551	9.069	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409403343	ZUEBWWLYCQOSMM-AEUUOICLSA-N	629.069	7.179	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)o2)cc1	409403909	OLMIEXJGTNNMBW-KMUKQRDJSA-N	580.616	6.187	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2I)cc1	409404292	PRISQNUXLWUYOA-WBIBEUCMSA-N	702.549	6.961	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccccc1F	409405380	TVJIFJVXMCJAGC-VHFSBPNMSA-N	646.513	7.519	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCC(=O)O)o2)cc1	409408722	LBMLBCHETGOPON-YNFMAFFXSA-N	600.853	5.909	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccc(C)o1	1308548	MPCMNNQCFRNRIT-HHHXNRCGSA-N	563.079	6.265	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	2089565	OSPNVJTWSKVMLI-WTYVLRPYSA-N	541.007	6.345	50	40	KKGB	
O=C(NNc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1)c1ccc(Cl)cc1Cl	2215153	DRTSFDIIVZZZDO-UHFFFAOYSA-N	522.617	6.776	50	40	KKGB	
CSc1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)cc1	3666914	WOXSPDZLWVRLBS-XMMPIXPASA-N	500.693	6.161	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(Br)cc1OCc1ccc(F)cc1	4047775	MDMJFMNWFCYXRJ-MUFRIFMGSA-N	522.374	5.730	50	40	KKGB	
CC(C)(C)N(NC(=O)N[C@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1)C(=O)c1ccccc1F	8453177	ZIPKFNVXDBLSMU-NDEPHWFRSA-N	575.577	7.331	50	40	KKGB	
CCOc1ccc(N2C(N)=C(C#N)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)C3=C2C[C@H](c2ccccc2)CC3=O)c([N+](=O)[O-])c1	8456023	LFWQREWZJLBDJI-XDBZFTIUSA-N	586.004	6.254	50	40	KKGB	
Cc1sc2ncnc(Sc3ccccc3C(=O)NNc3c(Cl)cc(Cl)cc3Cl)c2c1C	13133701	ZGYMSXSPDPTSQY-UHFFFAOYSA-N	509.871	7.176	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	16688529	LAOYSDMCIRWIBJ-JCMHNJIXSA-N	501.514	5.986	50	40	KKGB	
N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2ccccc2Cl)[C@@H]1c1ccccc1Cl	20528806	GLDDDOXZJFHTAG-XHBHTSLYSA-N	500.429	6.655	50	40	KKGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N	34763205	FRJMZSULVARWFS-XKZIYDEJSA-N	517.497	5.303	50	40	KKGB	
N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O	97946877	STXUEXBIIWLYLK-RXWSAZGZSA-N	553.423	5.170	50	40	KKGB	
COc1ccc([C@H]2C[C@@H](C(F)(F)F)N=C(SSC3=N[C@H](C(F)(F)F)C[C@H](c4ccc(OC)cc4)N3)N2)cc1	98043204	BZVIHNXGWZHIBJ-ZRNYENFQSA-N	578.604	6.428	50	40	KKGB	
Cc1c(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)sc(N)c1C#N	100109216	GMVVOSOSGOEJGZ-FABQOPTDSA-N	580.511	7.162	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C2CCCCC2)ccc1OCc1cccc2ccccc12	100228359	LAWNDGRIHLJYRG-QLQYKETESA-N	571.117	8.048	50	40	KKGB	
C(=C\c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCCC2)o1)\c1ccccc1	100470902	ONQYCNKVXSUONX-VHXPQNKSSA-N	501.590	6.065	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	100620326	YYGQCZQMIFIERT-WEMUVCOSSA-N	540.645	5.059	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3Cl)nnc2-c2ccc(C)cc2)cc1	100894202	RCHKEVDWEONVTA-RHANQZHGSA-N	540.476	6.191	50	40	KKGB	
COc1cccc(-c2csc(/C(C#N)=C\c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)c1	100947104	HHYJBGJZTJBILD-QRQIAZFYSA-N	530.649	8.041	50	40	KKGB	
O=P(OC[C@H](Cl)CCl)(OC[C@H](Br)CBr)OC[C@H](Br)CBr	103654458	RAYIMXZLSRHMTK-IWSPIJDZSA-N	608.711	5.307	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc2ccccc2c1	103845409	LPBCKOKZDAGKMD-YSMPRRRNSA-N	580.482	6.937	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103894902	KPMIGMBNYPHCPM-QVUMDZJSSA-N	602.765	7.628	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1	105583414	KZPJGNFNVUBLPA-UVHMKAGCSA-N	540.856	5.309	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)o1	112255946	GGTMJPUQBNAWSX-UVHMKAGCSA-N	542.227	6.609	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)c(OC(=O)c2ccc(Br)cc2)c1)c1ccccc1	150353714	XCUWICDOGMGOGQ-KBVAKVRCSA-N	622.269	6.414	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	150370583	QPAMQIFSNFYDDO-PMNVOCJDSA-N	653.466	6.085	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	150464269	DEYBZBYOQCFQED-VTNSRFBWSA-N	668.084	5.398	50	40	KKGB	
Cc1cc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc(C)c1Br	150477754	RCDGOKSQBYLTEC-RLZHEZGZSA-N	653.209	5.394	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	164746032	MEXNLWYVZOWDKQ-YVLHZVERSA-N	638.245	7.030	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1I	208464364	WZPAJBKSPCBEGW-ROTLSHHCSA-N	523.802	5.349	50	40	KKGB	
Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)C(C)C)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)C(C)C)c2c1O	222344370	PWVDBYOCWLUJRD-ZKRLRCFFSA-N	686.806	6.969	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1	408540927	CVSYSLZGLDNZIB-MFOYZWKCSA-N	546.204	6.579	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1	408552479	IVJCWICJMVFKSV-VCHYOVAHSA-N	528.823	6.827	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccccc1	408565921	CJHONSHEHGCAHZ-UXHLAJHPSA-N	570.471	6.259	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408604923	JDFFIKMDAAJMDJ-QGZVFWFLSA-N	518.828	6.030	50	40	KKGB	
O=C(NNc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408605991	KPMCINVEDNVGDM-INIZCTEOSA-N	504.801	5.722	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408649851	LPSNJPOGDIKRND-PTGATOOUSA-N	828.135	6.993	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408650010	ZAHSISSDZSVWPX-BDXSIMOUSA-N	662.118	5.064	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]21	408655423	RVHOKMBATWLXGY-OVKIEXBXSA-N	551.829	5.567	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408747809	UCJQBADOPACFED-KCSSXMTESA-N	535.427	5.967	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(I)c1OCc1ccccc1	408750151	XSVUGJSEOBEJRA-MZJWZYIUSA-N	609.258	5.804	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2cc(Cl)cc(Cl)c2)cc1	408767855	QCXYAJDSBVQDKK-RWPZCVJISA-N	518.466	5.771	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I	408787577	CARUTXXLNLNHAQ-OVCLIPMQSA-N	572.184	5.457	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1cccc2ccccc12	408792985	MYWBGDAMSPEFRE-HYARGMPZSA-N	561.863	7.779	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793357	FBICPGQHSGTBEL-BUVRLJJBSA-N	584.426	7.061	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795214	UUBKLRGACFYWOG-WSDLNYQXSA-N	734.215	9.064	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2I)cc1	408796126	OEOMVXCEJAARFR-RGVLZGJSSA-N	634.255	6.637	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408796536	OMZOGUKABLMKKX-UDWIEESQSA-N	569.839	6.412	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2ccc(C)cc2)c1	408800799	PLKWKHSRXXVPAC-OVVQPSECSA-N	504.586	6.707	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc2ccccc12	408806797	BUBPYONATBKFJD-FZPRHHONSA-N	618.325	8.182	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1	408807537	CPZBUCXGTLAEBE-JLPGSUDCSA-N	517.423	5.989	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408821830	KPSGAOCWWAFUHS-LPYMAVHISA-N	653.316	8.368	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	408826480	GUOKYIJEEHETJD-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408831065	GYBBFMYLNRTNNX-CVKSISIWSA-N	702.432	9.930	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408831635	WISCEBFTIVVMTC-MHDJOFBISA-N	722.401	6.597	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1cccc(C)c1	408839671	VHEVIKZAAOYKQV-JEPNHJGPSA-N	576.722	7.912	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1C1CCCCC1	408842344	KMLGCGYIWSRIFE-KBVAKVRCSA-N	532.113	7.895	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1	408845526	KFWVNHCCJVXEPE-WBIBEUCMSA-N	708.369	8.302	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Br)cc1	408852714	MRUZDQWIIHQHCK-PGMHBOJBSA-N	610.917	6.632	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1	408855003	BSIHSHRZLXOJBC-CLHYIUPASA-N	577.515	8.526	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3cccc(NC(=O)c4cccc(Cl)c4)c3)cc2)CC1	408858113	MGBXUHWKWYDVDV-HWLOXFRGSA-N	596.131	6.077	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)N[C@@H](C)c4ccccc4)cc3)cc2)CC1	408860769	DSYUWDRPBCQGPH-PSJMIFPXSA-N	605.739	5.038	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccc(Cl)cc2)cc1	408863331	LXADENOJVLAQQH-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccccc1	408863915	VKHQMOKKSBDPBU-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408864746	ZKVAANKAAXSBMV-JEPNHJGPSA-N	620.171	6.589	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408865065	AWCOJVKEUGCRAK-XZYGTATASA-N	701.039	6.743	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cccc(F)c2)cc1	408866480	FZTKORPNKFVTPZ-KGENOOAVSA-N	507.359	5.901	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc(Br)c1OCc1ccccc1	408875698	GYZLCRJICFQDKK-OCSSWDANSA-N	596.503	5.106	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408879388	DDCKMCUMGFBMKV-OVCLIPMQSA-N	725.144	7.836	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408881126	JPZRWCGZKGSOFE-KEIPNQJHSA-N	569.727	6.351	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C	408887522	RHZIOBCBUUSEQP-UVHMKAGCSA-N	517.807	5.528	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408888436	ZVTFRTJRYLTVBP-LICLKQGHSA-N	552.337	5.189	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	408888580	XLBAQLZKBYPHHN-WOJGMQOQSA-N	556.394	5.288	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1	408889311	BQGOKFDBYWFFDG-XDHOZWIPSA-N	522.355	5.799	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408889568	FJBGDGIENVDCPM-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2I)c1	408926082	XGLVSBGJVVFJDZ-MUFRIFMGSA-N	661.281	6.338	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408934861	CVLSZMVCMLFWGP-HNSNBQBZSA-N	592.117	5.577	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408941040	JLEPCJFQQKDHJE-CLHYIUPASA-N	611.073	7.035	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccccc1Cl	408945375	KOHJBAUNPZMQBH-MHZLTWQESA-N	797.897	6.171	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408946776	AYRQIUBJTCJZMP-BKUYFWCQSA-N	592.393	5.526	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)c(OC)c1	408955163	ODLPXTUAFGFEMH-LBEBILTRSA-N	709.594	5.464	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(OC)c1	408958642	ZRHINEZPCSRUFG-QVTHKRDASA-N	754.849	6.717	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408964440	RPFKPQUITDSLHG-WCMJOSRZSA-N	527.499	6.084	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccc2ncccc2c1	408965916	JXOGUZNRQMRELJ-OJYCWLPVSA-N	517.677	7.266	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408973877	WCPDGMXJDGFSCO-NXANOMBNSA-N	615.352	5.778	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc2)cc1	408979795	OODWYUCGIPYQPV-NGUGDGFLSA-N	549.096	5.616	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1Cl	408985092	VCUDPNFQJPGUDC-BKUYFWCQSA-N	556.287	7.918	50	40	KKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409010043	JHZJGBLGUUJBES-DLDHGHKKSA-N	605.654	6.403	50	40	KKGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	409012520	IOEZHZUQAHKTFV-DAKXVSLYSA-N	540.447	5.203	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc(Br)cc(I)c2o1	409018546	HQYNXHNJDZCPOP-ORBVJSQLSA-N	871.989	7.260	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	409025566	SJTVTUIQLLRGEU-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCc1ccc(Br)cc1	409071264	GIDBPGMUECPCGF-PCLIKHOPSA-N	545.477	7.318	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409076938	CMXZNNVPVLJACP-MHWRWJLKSA-N	501.848	6.913	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1	409078303	HIIFSDVZNWMKET-AWNIVKPZSA-N	567.263	7.167	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4F)c(Br)c3)cc2c1	409186996	KQNKINQJWUZWLP-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc2ccccc2c1	409192179	BFCLMZQFWHGEPB-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)c(C)n1NC(=O)c1ccccc1	409210508	KYQUQIGWZPYEER-RPPGKUMJSA-N	558.230	5.524	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	409210957	MBPMOYRYYSHYAV-WCMJOSRZSA-N	583.935	7.476	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)/C=C/c1ccccc1	409222991	DYWMWAHDYPVPFT-DREVEGIUSA-N	547.611	6.029	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409226965	WSIUPGNPROMWKQ-UHFFFAOYSA-N	576.436	6.546	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409227402	ZWJNIPBIANKQMC-WVXIXHKESA-N	716.213	8.153	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1cccc2ccccc12	409238653	BEBMPCVQCLSMSG-OKCVXOCRSA-N	521.386	6.022	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc(C)c1	409244014	WJEROMWRBBNINT-GRSHGNNSSA-N	545.355	6.910	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409257500	RXPDAEXRJRCJBI-MHWRWJLKSA-N	603.800	5.222	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccccc1C	409261544	CWPLGHYMPUDAJX-CIAFOILYSA-N	548.437	5.946	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409268593	WHUKWXUEGMGHIN-MUXKCCDJSA-N	591.833	5.433	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1OCC	409305667	WMJZDMZLLCEFGI-LQNQUEJISA-N	524.017	5.617	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409324697	UPCLQNMGFVZGFD-MNBJERMJSA-N	609.498	5.877	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(I)c1OCc1cccc2ccccc12	409360506	PWJVXIXPUGVXIE-IBBHUPRXSA-N	583.401	5.733	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409365144	SUJDSHJGAFRULF-YVLHZVERSA-N	538.919	5.349	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccccc2F)cc(I)c1OCc1ccc(Cl)cc1	409371165	BZWVYKFHRQAVAJ-LICLKQGHSA-N	519.741	6.735	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	409373592	VFNHMQUILYVQIO-ZRGSRPPYSA-N	537.197	5.936	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409394844	GORGCKGLTSCPHT-UHFFFAOYSA-N	710.626	9.848	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409396810	BLUOQEOZQRRHSA-UHFFFAOYSA-N	548.382	6.726	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409400517	DNUUZMZNBPJGSG-CAQPMQTCSA-N	546.023	6.094	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccccc1Cl	409403181	MCNHAXAJFBVWTF-QJOVZPHJSA-N	598.099	7.661	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC#N	409403843	OHQMIQYAIHZWCB-ACXHZZMFSA-N	624.435	5.546	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4cccc(C(=O)O)c4)c(I)c3)o2)cc1	409405121	SDYSMASIMGKXMV-RODHXAHZSA-N	815.402	7.516	50	40	KKGB	
C=CCOc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1[N+](=O)[O-]	409406009	VRZPGMQPJNWPFP-RHANQZHGSA-N	514.538	5.503	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(C(C)(C)C)c4ccccc34)o2)cc1	409407013	YMUJEBPQLOAPNT-CAQPMQTCSA-N	508.622	6.740	50	40	KKGB	
CCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409410642	ZBUAHROKHZVRDM-MIXAMLLLSA-N	500.624	6.505	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc(-c3cccc(Br)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1	1942116943	HJJFEOJKWVLWTF-UHFFFAOYSA-N	788.622	8.914	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(Cl)cc2)cc1	935256	JQPUNENORBBQGP-YDYXIROLSA-N	518.982	5.622	50	40	KKGB	
Cc1cccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)c1	3087026	PRKORGXCFVWGSB-LGJNPRDNSA-N	546.215	5.268	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCCOc1ccc(C)c(C)c1	4207652	YJUIAIIJXRSBSI-OGLMXYFKSA-N	526.431	6.078	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC(=O)c1cccc2ccccc12	12586157	ZDRSWGDXSUDEJD-RCCKNPSSSA-N	507.502	5.830	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(NC(C)=O)cc2)=C(C#N)[C@H]1c1ccccc1Cl	29747691	HDEDVXRQIJVMEO-HHHXNRCGSA-N	587.101	6.067	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	97951901	PYTVYGKQZRQTQA-AREMUKBSSA-N	530.625	6.051	50	40	KKGB	
N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1	97959613	GKROWXFTRKGFJH-QINSGFPZSA-N	521.758	5.448	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(OC)c1OC	97964255	APHBYYVZVHTGLZ-OQPIRMEUSA-N	780.470	6.444	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1	98048783	FIJJRONBPUETID-LJAQVGFWSA-N	568.699	5.978	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	100123535	XWQYLFUIPMOVQY-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1	100139488	LGLQZHJXDHVTBQ-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1	100232905	HLRKOHZJPIBBRC-ODLFYWEKSA-N	547.674	7.907	50	40	KKGB	
N#C/C(=C\Nc1cc(Cl)ccc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	100395034	VRIYHYVXVSVZGF-FMIVXFBMSA-N	519.207	6.962	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C(F)(F)F)C3=C(O)CCCC3=N2)c(C)c1	100703132	JBXPFSRZNAWPHT-XMMPIXPASA-N	511.569	6.964	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3	100858858	IJIINKNJBJZWDG-VTNSRFBWSA-N	568.724	6.039	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1cccc2ccccc12	100858926	AYPJLTNSAGKPQY-OCSSWDANSA-N	524.671	5.722	50	40	KKGB	
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)c1	100906572	PPXQVSRCFTVIQQ-KGENOOAVSA-N	536.407	5.205	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1	102216662	LEPVPJUDSXRKGY-XMMPIXPASA-N	606.548	7.024	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1)S(=O)(=O)c1ccccc1	104705748	GNPHPQJEDBGLFA-UHFFFAOYSA-N	594.221	8.434	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1	150481246	FVQGWYASBJHLDY-RQXXSLPSSA-N	719.285	6.016	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)cc1	164698199	YBEHBHBECKXJFP-HAHDFKILSA-N	642.335	6.197	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc4ccccc34)cc2OC)ccc1OCc1ccccc1	408541195	YHZMAJHVNGRJQP-DBSPGSINSA-N	639.546	7.932	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(Br)c2)c(C(=O)OCC)c1C	408547549	YVBGWCYJJOWAKX-VGOFMYFVSA-N	599.297	5.662	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550051	AYEDSAFEGJXZAA-PPDIBHTLSA-N	598.224	5.388	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)c1	408551537	DSOJPVDHTYESDW-LICLKQGHSA-N	559.247	6.628	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)ccc1OCc1ccccc1	408554027	YIMUMCUYZLTPSC-HTVDVWKISA-N	750.271	8.278	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408640771	ISBWQIZEETUMNE-NVPYSNMXSA-N	781.679	6.484	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Br)cc1	408653436	PUMSWJUTBXCPND-IGQFXSRTSA-N	708.028	5.774	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408657800	JEIZVPMKALZLQL-MLTIOUHMSA-N	664.778	5.198	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408710653	CNKGCEVXBPKHPE-UVHMKAGCSA-N	562.804	5.761	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408734919	HHNVPUUIBYGXDK-IBBHUPRXSA-N	646.410	5.685	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C	408742578	AZAJSEIRUBVXTQ-QJOMJCCJSA-N	508.603	7.008	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408751583	ABQFZEFYKCTIRC-ZHZULCJRSA-N	605.392	6.340	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OCc1ccccc1	408761104	HVQDFYSCUXCLIH-IAEWTUJKSA-N	663.578	5.421	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cc(Cl)cc(Cl)c3Cl)c2C)cc1	408777405	ZXSDDBAZYINPRD-KVSWJAHQSA-N	522.816	5.760	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccc(I)c1	408779463	FDYJKGOECIXFJL-LQKURTRISA-N	601.388	5.046	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(I)cc1	408784487	TUQKQBCDAHPTLF-PDGQHHTCSA-N	528.321	5.564	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	408786272	NUKLXOLZPCFVKR-STZFKDTASA-N	568.899	7.082	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408790831	ZGKYVHKTPTYIPJ-GIDUJCDVSA-N	626.088	7.551	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408795581	LPKRWCZAMCDFLF-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1	408796411	OCOMLIIAMVOULH-OEAKJJBVSA-N	501.413	7.834	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408797431	RPNMEHKZOKAOCG-GIJQJNRQSA-N	522.901	5.680	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC	408822658	BQFZYLPYKTWAIC-OVCLIPMQSA-N	570.811	5.695	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408834072	UYMSVIGGGKYEDL-WCMJOSRZSA-N	586.497	6.058	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccco2)cc1	408839463	SRLUZJQBEBYWLV-RWPZCVJISA-N	577.347	5.186	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841642	GAPQBYROLCJYCH-ATZGPIRCSA-N	617.956	8.313	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408849593	ZKSTXDVEQGMFDI-IZYHBKOJSA-N	732.600	7.907	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1	408849808	ZLIALIOZCNWGQU-KYHGBAKBSA-N	603.860	7.801	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cccc(C)c2)cc1	408858153	MXSHZSYAMVYTOJ-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1Cc1cc(C)cc(C)c1	408867682	LHZMUTTUGANYEN-KEBDBYFISA-N	520.383	6.119	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1	408871736	ZTPUDBFISGJPPN-ZMFRSBBQSA-N	534.781	5.605	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408882771	QSKJAKSOCWYJFM-CCVNUDIWSA-N	561.816	5.502	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cc(C)cc(C)c1	408883718	WFWIPGSQENMSIW-SRZZPIQSSA-N	505.958	6.388	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(C)cc1	408886762	LZGMCILQCFBKOD-XSFVSMFZSA-N	525.424	5.633	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OCc1ccccc1Cl	408887746	SWHVUFPVPNLTOR-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(C(=O)O)cc1	408890677	XMPLKOVXNUTAOV-WOJGMQOQSA-N	511.759	5.925	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(C(=O)O)cc1	408905283	WPINBUSQWKXESO-QDTIIGTASA-N	629.363	5.385	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OS(=O)(=O)c1ccc(OC)cc1	408921283	AFBDPICMEZKHKI-OQKWZONESA-N	528.586	5.560	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)c(OC)c1	408954266	NGFTVFUSZARMQZ-LOMSXHPKSA-N	715.985	5.419	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)c1ccc(Br)cc1	408958624	ZNPVSZHZMVEVHD-CXOOFYFASA-N	590.477	5.411	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408965982	YHYWPJJJHOARHX-VFLNYLIXSA-N	566.330	6.118	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)c(F)c1	408966102	JXRCNACQSVVMOO-IPBVOBEMSA-N	643.169	5.389	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	408990770	LXFGKTQWFBGCDV-CPNJWEJPSA-N	646.537	8.460	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(OC)c1OC	409006367	NIMHMTMBKPGCCX-BDNKRSMCSA-N	699.716	6.567	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(Br)cc1	409043327	YYPYGHQCILVKFA-KMUKQRDJSA-N	659.378	8.168	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(Cl)c1	409053051	JPBOONAFTVJTJH-BRJLIKDPSA-N	502.752	5.662	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1	409057733	WEZWDZORWMKVLQ-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1	409063702	BECHVOINKJVSHF-LGJNPRDNSA-N	599.732	5.206	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1OCc1ccc2ccccc2c1	409091340	PNMDSGMLDRLPOY-LQNQUEJISA-N	564.423	6.494	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409101478	UFUCFMDMYOKINY-XMMPIXPASA-N	590.257	6.680	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409131800	XZXTTYJKKHTQES-LJQANCHMSA-N	536.213	5.593	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccc(Cl)cc1	409143165	ZIWWMWUOLGAZJU-HSZRJFAPSA-N	574.802	5.846	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409175323	ZIADMUVZTOYSLV-ORBVJSQLSA-N	532.638	7.305	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	409183557	DEPPNOKWBKBDLU-KCSSXMTESA-N	579.078	5.058	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc(C)cc1	409185300	WEOBNFXQJBFSMU-RUMWWMSVSA-N	541.673	5.482	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)NC1CCCC1	409189495	PSJJDSUQLODYTJ-SXGWCWSVSA-N	541.216	6.143	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1ccccc1	409221512	RHPBIGZIHOVCLD-QHSFOXILSA-N	501.413	7.510	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409223970	HZDGRZGBQBVAFW-UHFFFAOYSA-N	566.828	6.882	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	409224270	JPSLQSKMRMYLME-OHUYPAJKSA-N	612.595	5.164	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1	409226506	TZBLUDURTFAYJZ-CAQPMQTCSA-N	541.991	5.892	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409237617	ANYUJQZGFRGTNT-XKZIYDEJSA-N	505.958	5.492	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)n1	409246598	JITVUKUJGQSZCZ-KIBLKLHPSA-N	703.300	5.032	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409270880	RTHMUKQDDKFESG-MOSHPQCFSA-N	534.410	5.638	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409271230	KUBYJERCMWGNNN-CDLBOOTPSA-N	733.088	8.767	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1OC	409303449	MYKLSGAUZDHJGK-MWLSYYOVSA-N	507.974	5.003	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)ccc1OC	409310448	UXINEAWTTRYGPU-QDTIIGTASA-N	552.252	6.506	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1OC	409311923	HZBXVKXLZOUULA-NUJZUDFISA-N	519.812	6.563	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	409317158	SCIVUSNKDQEKCC-DBFSUHOCSA-N	637.858	5.060	50	40	KKGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(Br)cc3C)=C2C#N)cc1	409325839	BUQPXRCAVHLICY-LJQANCHMSA-N	514.445	5.175	50	40	KKGB	
N#C/C(=C\c1cc([N+](=O)[O-])cc(N2CCCCC2)c1N1CCCCC1)c1nn(-c2ccccc2)c(N)c1C#N	409333629	KYNWTQSPLBRUAA-CJLVFECKSA-N	522.613	5.279	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc2c(c1)OCO2	409360012	CXNIHOJTBUPMAF-IDUWFGFVSA-N	592.081	7.346	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccc(C(=O)O)o1	409387023	YTDPDAWDEMOPSB-NSKAYECMSA-N	639.196	5.443	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)O)o2)cc1	409400227	CDEBSKFBISUOQY-DBFSUHOCSA-N	566.954	5.055	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1cccc(C)c1	409405918	VHIABEVVZHTQEW-WBIBEUCMSA-N	642.550	7.689	50	40	KKGB	
COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409405974	VNSCQQNFWRVQQA-MBTHVWNTSA-N	522.399	5.801	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(F)c2)=C(C#N)[C@@H]1c1ccccc1	1438179	VIZXJQWZTADNPV-MHZLTWQESA-N	528.609	5.541	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1c2ccccc2cc2ccccc12	3027391	GDVAKDNODLQAMF-KKMKTNMSSA-N	591.097	6.810	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1	3102495	TYYNLOBUNIAUST-RPPGKUMJSA-N	522.182	5.504	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccccc1I	3115204	GMXSPYCAVUWFGV-WKULSOCRSA-N	586.426	5.480	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](c2cccc(Br)c2)P(=O)(c2ccccc2)c2ccccc2)cc1	3177656	RBCBBERFEVSHOP-SANMLTNESA-N	540.419	5.749	50	40	KKGB	
Cc1ccc(/N=N\C(=N/NC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)cc1	8666322	ONCUOZNYVVTBQD-MCJNZCSVSA-N	528.016	6.172	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]12	8766537	KQIHYMLPAWUVKD-SSGXOEHOSA-N	503.605	7.054	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1	12273814	DVHFPFQATOWSPO-RAMZYJDASA-N	502.039	6.330	50	40	KKGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccc1Br	12562833	AUGTWEIIVFGTNE-ZVHZXABRSA-N	506.809	5.057	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(-c2cccc(Br)c2)o1	13894962	MXFFKKAFYDMONB-VULFUBBASA-N	512.201	6.318	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1	33709205	PHWCCSHAKSKZOW-BRJLIKDPSA-N	504.226	5.181	50	40	KKGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NN/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21	38166657	ZYXXAPZUCGPPPV-LFVJCYFKSA-N	523.555	5.461	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1cccc(Cl)c1	58985840	LFFMTFQOIKWRBG-HXUWFJFHSA-N	515.795	5.330	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	96933940	VGXJXQZKAIAZTB-SSEXGKCCSA-N	565.098	7.200	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3nc4ccccc4s3)=C(C#N)[C@H]2c2ccccc2)cc1	98048556	CYGMRLHHHQPBEL-MUUNZHRXSA-N	609.733	6.180	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc2c(c1)OCO2	100054718	RBFYMKGGUCKNMS-OPEKNORGSA-N	532.188	5.283	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1	100195058	MPXBQLHFJSFHPS-LSCVHKIXSA-N	562.265	6.799	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)n2-c2ccc(Cl)cc2)cc1	100841049	QMCQTVJLOLXKOZ-JVWAILMASA-N	537.001	5.137	50	40	KKGB	
COc1ccccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C	100848617	NZJGUASGNASYCH-OAUYIBNBSA-N	510.064	5.320	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3Br)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852173	JMHQQVVWHSVCJK-LQNQUEJISA-N	562.537	6.545	50	40	KKGB	
COc1ccccc1/C=C\C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1	100853162	LGKKZDRTRWLQAI-KJAIAJABSA-N	539.705	6.456	50	40	KKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1	100987601	LWJJFAAVZRKVPT-PXLXIMEGSA-N	576.084	8.691	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1C	100988765	NZWXAQUAJLXSGM-NFHYYMBESA-N	522.457	6.675	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100991300	NHWYMNJKXSZNCU-YDYXIROLSA-N	597.332	6.585	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl	102810080	YGTZZGCBNXSEGR-XIFFEERXSA-N	621.162	7.781	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1	102948243	JQGDBSPNBDHMRC-CAPFRKAQSA-N	537.041	5.295	50	40	KKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(Sc3nnnn3-c3ccccc3)o2)cc1	103007395	XIZZXNWBIFLDFQ-JBASAIQMSA-N	546.697	6.690	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(C)cc1	103755346	HPCXYNYOXCWSPF-QRVIBDJDSA-N	566.439	6.740	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(OC)c2)cc1	104403148	LOJQFVIYZAIQHT-CVKSISIWSA-N	530.362	5.041	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccccc1Cl	104766369	ANFBSZGOZKBGII-OCSSWDANSA-N	534.037	6.395	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342009	QPLNVGKFCUIPLI-REOHCLBHSA-N	642.009	7.752	50	40	KKGB	
O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1ccc(C(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1	150384658	IJFFQBLNPZTBAM-FHNKLNMBSA-N	650.438	5.782	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1)S(=O)(=O)c1ccccc1	150385305	LQARDHVBRPDGRK-CHSHITCJSA-N	680.057	8.522	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Br)cc1	164747298	ZKYMUWJVJGJWFV-UNOMPAQXSA-N	621.156	8.372	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(Cl)c2)cc1	408538576	OWISHEQFMGDLKN-WGOQTCKBSA-N	617.529	8.494	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539544	XEXOUIWXOQOIDM-NTFVMDSBSA-N	641.562	8.177	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408541350	GALWZDNTEZUMLY-IUXPMGMMSA-N	529.749	6.064	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(I)cc1	408544437	TUZOVYOKJYRSGO-GRSHGNNSSA-N	637.211	6.246	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408554319	RPMORVGWZVDZLA-CPDSRJINSA-N	526.807	6.581	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408568915	LLGXTRCZYQROHE-VFLNYLIXSA-N	612.398	7.343	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408581668	YOQFWBHGNYZHPG-OVCLIPMQSA-N	598.169	8.004	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408678821	DHTLDBRLUJSRJG-ZYGGUILKSA-N	634.108	5.381	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(I)c1OCc1ccc(Cl)cc1	408710586	MOXDGTGNRKINRE-CCVNUDIWSA-N	594.833	5.703	50	40	KKGB	
N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(I)cc1	408711841	NFLFDSHSNQXYAG-MUFRIFMGSA-N	531.353	5.659	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1	408734811	FBUGDCITWSBFSR-XJECJHNESA-N	580.475	6.524	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3F)c2-c2ccccc2)cc1	408742642	XJEAKFNRXOKUGY-FADJLKOXSA-N	531.587	6.891	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1I	408747284	LPDZIGFZDQARBT-BRJLIKDPSA-N	521.786	5.433	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)ccc1I	408748027	XEPOHUXGTMMGRK-LUOAPIJWSA-N	688.110	5.866	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408784930	DHLXHJKCXUZMFK-QJOMJCCJSA-N	502.412	5.284	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C	408788407	FJDWPEWASPAKMO-WYMPLXKRSA-N	505.210	5.392	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c(C)c1	408797257	QPLXOMDTLOTIMS-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)c2ccc(Br)cc2)c1Cl	408815047	TXUMEINDHZXIOX-GXDHUFHOSA-N	506.183	7.333	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4c(C)ccc5ccccc45)cc3)cc2)cc1	408828113	VSNQYDDHMZLPFL-MWAVMZGNSA-N	538.647	8.160	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408829745	XKFGARVFTRLNSB-CVKSISIWSA-N	631.954	8.432	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OCc2ccc(C)c(C)c2)c1	408834851	VXWKIWIJVLCITC-SRZZPIQSSA-N	506.986	6.107	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OC	408836019	PFYVBFIKYNQWQE-WOJGMQOQSA-N	527.802	6.244	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408837881	AKIKSYLHPWRKSA-KPGMTVGESA-N	637.556	6.729	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)c1ccc(C)cc1	408839067	MKIHFMUXMWWSJX-BIZUNTBRSA-N	566.570	5.537	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc6ccccc6c5)c(Br)c4)cc3)cs2)cc1	408841335	GJLPVJKUUWDNKX-HASSKWOGSA-N	647.598	9.121	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408844765	WHBYBZBNZKNQEB-ODNPBWNPSA-N	654.667	5.386	50	40	KKGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408845128	OSCQPXIVQMEWLG-KBKYJPHKSA-N	602.810	6.150	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4ccc(C(=O)O)cc4)cc3)cs2)cc1	408849394	YFBIVHJOLUAKRM-DPNNOFEESA-N	562.651	6.903	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408851666	LYJMZPOXJGPXNY-YBFXNURJSA-N	503.223	7.798	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cc(C)cc(C)c2)cc1OC	408857750	MEUZZQZHCCFLSA-XZYGTATASA-N	665.168	5.337	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408860105	SEUPWHZGWSWBHJ-AABVJFSESA-N	695.394	6.828	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408868146	NPLDPBDKBWKBJV-JEPNHJGPSA-N	620.171	6.589	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408871037	VFYDMIHBFNLSLA-LUOAPIJWSA-N	567.223	6.324	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1Br	408893780	HPNDRYKKDCAWEV-DEDYPNTBSA-N	525.830	6.934	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(Br)c1	408896199	QCGFZMOVGIVLPG-GXDHUFHOSA-N	531.160	6.234	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc(C(C)(C)C)c1O	408898477	LRSOZFHBNVJEQX-FABQOPTDSA-N	555.546	7.956	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)ccc1Br	408904990	RPPJGRBESRXJBF-KYHGBAKBSA-N	556.464	6.771	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)cc1I	408905824	FHIAUAVVLGLPFB-GZIVZEMBSA-N	527.573	5.179	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	408921866	CSRJFEZRRDWPHQ-NCELDCMTSA-N	512.565	6.904	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	408953748	XZPYLODTBDHZTH-NDEPHWFRSA-N	741.462	5.547	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408969022	FXHBSYHAOFRMDA-OBSXRXROSA-N	665.412	6.589	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1Cl	408971645	KSESPZPBDSDDLD-JHSNMWSGSA-N	518.828	5.292	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(C)n1-c1ccc(-c2ccccc2)cc1	408977852	FXVCBAPQZLOQDN-BMRPRGCTSA-N	566.702	6.321	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1c(C)cc(C)cc1C	408980265	QEIBFYSJQLCUAC-QXPVHXGPSA-N	613.780	6.458	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc1Br	408980680	SGCNTWNOAGRWNM-CPUXBYDOSA-N	553.251	5.104	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409007214	VKODITXYGPMVCO-VMWSCHNCSA-N	549.539	5.505	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409010190	AWFBAIDIHYAZRS-XGMQBHFGSA-N	662.445	8.060	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)cc1	409044736	CYBMHISGPFYUGI-LZYBPNLTSA-N	611.117	7.652	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409046215	JPQAQUNOLURKSF-RQZCQDPDSA-N	548.618	7.416	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1cccc(Cl)c1	409055889	JZULYOHNUDZKDX-GZTJUZNOSA-N	510.775	5.666	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409078444	HZVDFVJSYXDDDU-OVCLIPMQSA-N	588.270	5.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409082416	MABBUQOQWQACKA-VCHYOVAHSA-N	637.352	6.633	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409087473	YVIGXZPQPURAMM-CPNJWEJPSA-N	500.467	5.578	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409088390	JCUJHCYKLAQRHG-FYJGNVAPSA-N	537.494	6.366	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1	409151707	HDTLSQMPXIWTMO-KNBZMSCYSA-N	687.172	5.942	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)cc2c1	409186344	ASPWUPKGTODTLN-MBTHVWNTSA-N	570.383	5.788	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1C	409187521	RLLRXOAFUZDIQN-XODNFHPESA-N	545.275	5.970	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3ccccc3o2)nnc1-c1ccco1	409193799	LVBMUMPEVFRKFP-QFEZKATASA-N	502.512	5.128	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409217500	CORQXSARVBCOJL-UHFFFAOYSA-N	556.018	6.283	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1OCC	409218121	HJBLMJGEXXRQQG-MBTHVWNTSA-N	545.817	5.883	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cccc2[N+](=O)[O-])c1	409220211	ZIVXCKJFBGAYPP-LJUMEUDFSA-N	556.962	5.792	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409224310	KCGBTGSBXRLAOS-ZXGVQSJCSA-N	643.052	6.291	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409241516	YAUZDLUDTAGTJX-PPDIBHTLSA-N	693.092	6.069	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409253837	GZWIIWBCGHKLHN-YBFXNURJSA-N	550.409	5.343	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)ccc1OCc1ccccc1	409254255	WPFQIQNGXVOVOV-WBIBEUCMSA-N	616.114	6.725	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	409256609	MILKUVHLDVFHMJ-RQZCQDPDSA-N	637.250	7.102	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)ccc1OCc1ccccc1	409261699	AKRIUAHGBCASFN-UCMJSZAQSA-N	537.616	5.754	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409267559	NTUICHMKBULJNN-YVLHZVERSA-N	599.825	5.973	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1OC	409325400	YLNXORWGKURIHA-MWLSYYOVSA-N	552.425	5.112	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCc1cccc2ccccc12	409361649	HSBBRKBRVYHQLD-JJFYIABZSA-N	561.375	6.825	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(I)c1OCc1ccc(Cl)cc1Cl	409377154	GHGAGURRIUBYDH-KVSWJAHQSA-N	590.289	5.558	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c(O)c1	409393464	XMHHVCIGVPWBMB-KBKYJPHKSA-N	613.100	6.031	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl	409395010	ITSVFHYCSJJCIF-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)cc1	409395177	KRBDECYGSKHQTJ-UHFFFAOYSA-N	679.796	8.613	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409396328	XSPPFHWRWUWGGH-UHFFFAOYSA-N	748.686	9.866	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396565	WYLLQVCWWWIVNR-UHFFFAOYSA-N	606.000	7.889	50	40	KKGB	
COC(=O)[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409400381	CPKHRMLAIXMWEY-KUVSIYKGSA-N	550.011	5.624	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1cccc(C)c1	409402698	KOVBAHZFWCZGKQ-KMUKQRDJSA-N	608.651	6.834	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	1529548548	IVPUWTRRJDMBHP-FKZKYSLJSA-N	706.446	6.220	50	40	KKGB	
N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)s1	713519	KULIZWRVNWVRMA-GOSISDBHSA-N	528.781	6.488	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1	2194478	LTWMDDCDSVYIKO-DTQAZKPQSA-N	521.360	5.738	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccccc2)cc1	2698742	ZVZBDMUKVVNGEY-FDAWAROLSA-N	525.037	5.892	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	3090065	BVJATMRFZZBDQN-FDAWAROLSA-N	582.465	5.558	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C(=O)OC)c1C	9458341	LJODIDQHZMEZSJ-GHRIWEEISA-N	503.605	6.273	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	10475991	CLCGUMIPESPFPK-IPPBACCNSA-N	521.828	6.326	50	40	KKGB	
CCCCN(CCCC)c1ccc(/C=c2/sc(=C(C#N)C#N)nc2-c2ccc(OC[C@H](O)CCl)cc2)cc1	59608331	FWIPUONHRQPAGE-UPKGHWAZSA-N	549.140	5.222	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)c1	59646152	BEGBDTHIGUYTPM-FDAWAROLSA-N	625.545	5.219	50	40	KKGB	
C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1	97959381	OLVNJOQQHSOOLU-KBVAKVRCSA-N	591.535	5.660	50	40	KKGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1	97959774	IGHPWJLWHBSUOT-HQMQAWNESA-N	619.589	6.357	50	40	KKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2I)c1	98001660	NCPTYVFHKFUQGM-VVEOGCPPSA-N	714.192	6.996	50	40	KKGB	
CCCCC[C@@H](Br)[C@@H](Br)C[C@H](Br)[C@H](Br)CCCCCCCC(=O)O	100010963	HTORNZPNCYXGMR-NCOADZHNSA-N	600.068	7.826	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(Cl)cc2C)cc1	100122551	IVXLRCCUDCPXAZ-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
COC(=O)c1ccc(COc2ccccc2/C(C)=N\NC(=O)c2cccc(COc3ccc([N+](=O)[O-])cc3)c2)o1	102441500	PAWZVFHJOPMBTO-FSGOGVSDSA-N	543.532	5.286	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccccc1F	102718303	BSKMSNHVJYONJD-NDEPHWFRSA-N	542.636	5.849	50	40	KKGB	
CCOc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc(OCC)c1OCC	103920713	JNVUHXAMIUBPIL-XHPQRKPJSA-N	585.686	5.452	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Br)cc1	105082239	YTYNZKILYYQUNI-WOJGMQOQSA-N	556.800	6.534	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1cccc2ccccc12	105185516	CPLUOYRXOOBCAF-FMTWEKJESA-N	521.455	6.466	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(C(=O)OCC)c1C	106598373	ZOGDTDDBLPCKIE-UDWIEESQSA-N	586.493	7.015	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc([N+](=O)[O-])cc1)N2	150434380	DKCUFYMGCPOQLU-LAMIVESZSA-N	660.104	7.547	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3cccc(NS(=O)(=O)c4cc(C(C)(C)C)ccc4C)c3)cc2)cc1	150451187	KQTPNECHKHWCNJ-UHFFFAOYSA-N	662.834	5.297	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cccc(Br)c1	164102574	CRFULNKWHDPMJU-BRJLIKDPSA-N	661.075	6.001	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCc1ccc(Cl)cc1Cl	164578011	DYKOPUFKCRLVKI-KVSWJAHQSA-N	648.122	7.102	50	40	KKGB	
CCCCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C(=O)OC)cc1	408539177	UOCWMJXSWXWLJC-PGMHBOJBSA-N	513.432	6.521	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl	408579959	LZMYBSIBTQHNNF-CXUHLZMHSA-N	538.066	8.162	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(Cl)c(Cl)c1	408585470	FJIXRRWLSLZCBJ-APSNUPSMSA-N	616.962	8.924	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1OCc1ccc(Cl)c(Cl)c1	408612413	YIQGVNLUTWDRDJ-INIZCTEOSA-N	518.372	5.216	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408652567	PBWMGHCHTXGETP-SZRMMQHJSA-N	675.176	5.495	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408671949	UOJJPVLYOKLNDP-LCBMMCDXSA-N	638.740	5.033	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(I)c1OCc1ccccc1Cl	408710725	XFSGJRHZDURSRL-CCVNUDIWSA-N	594.833	5.703	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c1	408727369	RMMUOJXYIXPUAW-RPPGKUMJSA-N	646.650	5.901	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(I)c2)cc1	408744682	GMMKLOMDXFSYLE-NDENLUEZSA-N	535.341	5.296	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747528	PFYZHPHLOMTJBX-YVLHZVERSA-N	604.198	6.087	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(C(C)(C)C)c1O	408757376	ZBMWUJMNXPERHW-ZCTHSVRISA-N	581.691	5.746	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1	408773019	OPZAHAJPDRCBID-ZCTHSVRISA-N	562.047	5.213	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc2ccccc2c1	408787766	FYCLKMFETGGOSL-CVKSISIWSA-N	555.472	7.743	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408788217	JEOLZVLYPVJQPU-WOJGMQOQSA-N	527.802	6.331	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408788501	DLDHUZGJIGXHNX-UDWIEESQSA-N	536.382	6.189	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)c(C)c1	408792745	BYLJMZLHOZNJOP-VXLYETTFSA-N	713.151	7.400	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408793523	FQBHEIIPNATVPM-UDWIEESQSA-N	617.281	6.749	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1	408793980	RAQXLDYYHVZCLY-VXLYETTFSA-N	602.254	6.652	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1ccc(O)cc1	408795185	USYUOOGDOGNKRW-GZTJUZNOSA-N	575.200	5.884	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1	408798224	VIOUFEZVZPXNKC-XSFVSMFZSA-N	518.400	6.719	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1I	408819674	RCABUWICTPTLSH-JYRVWZFOSA-N	574.131	5.145	50	40	KKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408840833	CCTQYNJREYDUJV-VFLNYLIXSA-N	545.879	7.677	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408842994	PWHXBBJWVMNXGH-ALQBTCKLSA-N	635.142	5.329	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2)c1	408849666	ZWFUBEYBIWSBKZ-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1C#N	408854401	FAKYGASRNZKVLT-RHKOWXKBSA-N	554.650	7.066	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408860361	TXHVLDBBLWHWBV-QNKGDIEWSA-N	587.698	5.327	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408862741	LUPZIYSLDRYDRN-XKJRVUDJSA-N	694.229	6.022	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1	408863990	WBGUVIIZPBVJBJ-LBTISBENSA-N	619.143	5.250	50	40	KKGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	408866526	GERJBQHJJGPRAF-IPBVOBEMSA-N	518.337	5.595	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	408869734	QRXXNRLDCRGHES-WOJGMQOQSA-N	519.748	7.258	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(Br)cc1OCc1ccccc1	408873184	OEMSJUKXXJDAIW-PNQUVVCRSA-N	652.354	6.548	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C	408877739	UFFIBVNLICWQCA-RGVLZGJSSA-N	529.356	7.209	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1Cc1cccc(F)c1	408881739	KGOVKQJMAWEOFM-ZVHZXABRSA-N	618.446	7.154	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	408884636	YOLNOPKLWVQODK-NSKAYECMSA-N	582.263	6.220	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408890560	VQDAZFPSSXINGC-CPNJWEJPSA-N	510.462	6.003	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1Br	408898965	YSHRQGOVNFIINC-GIJQJNRQSA-N	590.699	7.307	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)ccc1Br	408904185	GAQFYQWBHJBWKH-CPDSRJINSA-N	557.275	7.952	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc(C#N)cc1	408940334	CDPDKQBVMSVHGU-NDEPHWFRSA-N	835.462	5.231	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1O[C@H](C)CC	408941091	JRQBVGSVQWZQBE-UWLYNBDASA-N	538.236	6.298	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408945488	KXBFPUGPIDJCIJ-MHZLTWQESA-N	740.891	6.873	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408946434	ACZGHYHLQCIKJI-MTJSOVHGSA-N	622.419	5.534	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c2C)cc1	408981187	VDPCKZFDAIHDAL-IMASQNRCSA-N	558.704	5.361	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409027083	XDXHZCZRBISXPJ-WPWMEQJKSA-N	520.438	5.128	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1	409049367	WIPDRCHNSCKCQA-DEDYPNTBSA-N	524.358	5.772	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	409051853	NNMNGDMJNJRCLC-BRJLIKDPSA-N	502.752	5.662	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	409070820	GYMNNGAQVCEOET-SFQUDFHCSA-N	545.386	5.300	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409086655	WFGPZRFDHCVIMN-OQLLNIDSSA-N	621.309	7.615	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409220364	XXCQAXULDUWEOK-MBTHVWNTSA-N	532.896	5.077	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)c2)cc1OCC	409223575	GHHFTKXGBLHKMU-UHFFFAOYSA-N	644.522	6.790	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409236049	FEVLPRLTKAARMU-PXMCARDJSA-N	541.445	6.974	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccc2ccccc2c1	409246241	GWRHAMUCLWMLGQ-FJEPWZHXSA-N	626.520	6.071	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1	409255594	IDGDWXNTPKTLER-BCHBDCPOSA-N	644.545	6.409	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409258154	WSXOJWVKSKYEQR-GRSHGNNSSA-N	579.407	5.546	50	40	KKGB	
CCCCOc1ccc(C(=O)Nc2ccccc2SSc2ccccc2NC(=O)c2ccc(OCCCC)cc2)cc1	409268300	SAJQNVUPBWONRI-UHFFFAOYSA-N	600.806	9.348	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)c1C	409271533	MGBAUGSJRDNALJ-NHDPSOOVSA-N	522.432	6.790	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OC	409312310	KRVQJKJSYNLMIW-RHANQZHGSA-N	650.491	5.103	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCCOc3ccc(C)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409317302	OUOPSPWCEZLWLN-SFTDATJTSA-N	535.449	5.251	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC	409322627	LAHGFOPYLRKWPR-MNDYBZJGSA-N	560.434	5.581	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC	409324947	WUTUMCJWKUMHDP-VYYCAZPPSA-N	513.934	5.007	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409335828	YTNBMTKVVORVIP-UXHICEINSA-N	647.762	5.918	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	409361224	BDHGUSIBABGSDO-DICXZTSXSA-N	526.387	5.200	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Br)cc1	409368575	CKYXFAKAVDRWCO-ZDLGFXPLSA-N	625.098	7.468	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccccc1	409369173	GKTFKVXELRSCFP-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409371191	CPJKFGCCCOGQSX-IDUWFGFVSA-N	534.193	7.316	50	40	KKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(/C#N)c3ccc(I)cc3)o2)ccc1Cl	409373058	SOERHVUXFUGOSS-WJDWOHSUSA-N	503.723	6.445	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(I)cc4)c(Br)c3)[nH]c2c1	409390264	CETIYSFTBVNZKQ-PXNMLYILSA-N	620.672	7.235	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409394914	HKGSOBSDUFYONW-UHFFFAOYSA-N	635.345	8.450	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)[nH]c12	409396202	XBKHWYAGLZVQLA-UHFFFAOYSA-N	740.246	8.423	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1O[C@@H](C)C(=O)O	409400405	CUVLXTNTERFCGL-ANYMWJJYSA-N	689.357	6.416	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccc(F)cc1	409405298	SQUPZHBETYVPRR-CLHYIUPASA-N	624.669	6.585	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccco3)o2)cc1	409409038	LXRUVFGIKVWBDF-LJUMEUDFSA-N	568.542	5.750	50	40	KKGB	
O=P(OC[C@H](Br)C(F)(F)F)(OC[C@H](Br)C(F)(F)F)OC[C@H](Br)C(F)(F)F	1083812597	WSCIJIIKGKUROW-ZLUOBGJFSA-N	622.835	6.122	50	40	KKGB	
Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C/c3cccc(Br)c3)n2-c2ccccc2)cc1	2097385	JGEBUGFCACDZSG-ZNUIVASASA-N	549.498	5.581	50	40	KKGB	
CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12	8451643	DHCQBLBAHFYIQF-NPIWLJDASA-N	578.532	6.076	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccccc1Cl	11852449	BHNOXECKQZYLGR-PMERELPUSA-N	552.099	7.770	50	40	KKGB	
CCCCCOc1ccc(/C(CCC/C(=N/NC(N)=O)c2ccc(OCCCCC)cc2)=N\NC(N)=O)cc1	16638562	FXHOYPAGZWHLPE-VBZQPFBYSA-N	538.693	5.440	50	40	KKGB	
CN(C)c1ccc(CN2CCCN(Cc3ccc(N(C)C)cc3)C2c2ccc(N(CCCl)CCCl)cc2)cc1	19326911	VAVRNSCENPZQDX-UHFFFAOYSA-N	568.637	6.509	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccccc2Cl)cc1	59855970	MYADCZIPEOESIT-XICOUIIWSA-N	598.124	6.726	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	66136399	PKFIQXJXXKWFOJ-WKULSOCRSA-N	535.025	5.913	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	98048662	JTDPYTCSJIBREQ-RUZDIDTESA-N	587.023	6.967	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1	100065178	BKAWPULPICMFBY-WKULSOCRSA-N	527.927	5.234	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3Br)c2C)c1	100100551	PZVYFXQQDZACMR-KKMKTNMSSA-N	563.359	6.619	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)c1	100330177	FFTRBQTVHOOOHE-FDAWAROLSA-N	625.545	5.219	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1nc2ccccc2[nH]1	101066070	BCNNSHBZGPKISF-CLCOLTQESA-N	548.672	6.044	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2cc(OC)ccc2OC)=C(C)N1	102808708	DYHSSHLAJHIITJ-NDEPHWFRSA-N	572.687	5.874	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)COc4ccc(Cl)cc4)c3C)sc3c2CCCC3)cc1	103872496	AZGURCRVKGZOTC-ATZGPIRCSA-N	575.134	6.778	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccccc1Br	104402034	QMLWCNYFOFSFPH-LGJNPRDNSA-N	558.217	5.821	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](OC(=O)CI)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C	119218005	MZAQLTZIAVJPPY-FUSYAKOJSA-N	554.597	8.064	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	150426894	VQKVVILNSVWCLU-BRJLIKDPSA-N	641.203	5.455	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	169795486	OSRUQXWGNODIGK-PMACEKPBSA-N	770.356	12.011	50	40	KKGB	
CCOC(=O)C(CC12C[C@H]3C[C@H](CC1(C)C3)C2)(CC12C[C@H]3C[C@@H](CC1(CBr)C3)C2)C(=O)OCC	170623247	ZCNRWLAUYHYCSK-HROQACMSSA-N	535.563	6.687	50	40	KKGB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)C(CO)(c5ccccc5)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C	263610832	WNWZVDVWRVSRPD-PABCCPFRSA-N	964.078	6.183	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408531492	OFNKPAQBRSJFFD-HBHSWBPBSA-N	635.278	7.525	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542730	KTBIUOBFFZZABL-UXHLAJHPSA-N	550.453	5.427	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c(C#N)c1C	408547156	SIOBXMMHNUJMHP-OQLLNIDSSA-N	505.508	5.000	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408550403	GZHGQEQZIJZMEX-XKZIYDEJSA-N	531.381	6.832	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408568426	UBMSKVNKVYOAAE-LQKURTRISA-N	524.415	5.927	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)c1ccc(Br)cc1	408578930	BYBPXVJERVEARN-GZTJUZNOSA-N	546.646	6.947	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	408580264	NRMFHMOATVSOEC-VXLYETTFSA-N	561.803	6.614	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	408581424	WLJLYFKWFVOKBB-QGOAFFKASA-N	518.816	6.333	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O	408642350	MWXGGOKURXBSOR-IFHMKRRJSA-N	575.851	5.423	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)ccc1N1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	408651613	NOZXBQLDBTWOAH-DVECYGJZSA-N	542.390	5.487	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408653847	PZUWAVHPEBAZDM-IOXUAXACSA-N	643.159	5.320	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OCc2ccc(I)cc2)ccc2ccccc12	408710696	FWXIXDRFNOFJTH-WKULSOCRSA-N	615.265	6.558	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408743972	IUXBSXXTOZVJBA-ZDLGFXPLSA-N	531.823	7.179	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1	408745667	ODRAQDJXUGMEPS-ODLFYWEKSA-N	599.381	5.731	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCc1ccc(Br)cc1	408746398	SMCSGJQYYSFWSM-JCMHNJIXSA-N	533.422	6.319	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1cccc(F)c1	408746586	FOCYRSSSEBZBIJ-MFOYZWKCSA-N	515.766	6.375	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747248	LBSBPKYEEBKVOV-ZMGVVAQMSA-N	593.861	5.796	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408787657	DFPMJNOJHGTUHZ-RGVLZGJSSA-N	536.382	6.107	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408789377	PJRYUAYUTZXKMP-RGVLZGJSSA-N	627.391	5.509	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795651	LZMHCQWLWUDMPL-VXLYETTFSA-N	678.151	8.638	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc2ccccc2c1	408797360	RJGSEWMAIAACOJ-NDZAJKAJSA-N	680.542	8.547	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408821593	JGSAHCPDKVTBNH-OCSSWDANSA-N	556.471	5.670	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408822640	BMWKHDDCKINHAE-YDZHTSKRSA-N	697.369	8.766	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408827053	CFPGQBLURUQQDA-WPWMEQJKSA-N	623.536	9.167	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1	408830531	NARIVJCWJWGOCP-XZKBKLFHSA-N	619.143	5.250	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408833692	UNHWCOWUKHPVCF-PTGBLXJZSA-N	537.413	6.739	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408834326	VVBWCCZFROUXCJ-LGUFXXKBSA-N	579.483	8.850	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408835917	YVNOZLCOXNFVFW-SSDVNMTOSA-N	676.811	10.056	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408844282	NDRDKYFJCBYPTC-ZISVIYDVSA-N	658.961	7.952	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408844299	NGIYUDHFBRZQLH-AABVJFSESA-N	635.946	8.452	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)c1	408851624	DPEPNRCWRROQII-ULJHMMPZSA-N	564.711	7.149	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	408860406	UWUOXPXYIUSSEC-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408862823	MOTSNDWBZJVYEH-IZYHBKOJSA-N	690.538	6.710	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408863719	OVVYQDNYNJZGCO-ATZGPIRCSA-N	721.855	6.798	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1	408865649	DMQVDTDAUQLMAI-XHLNEMQHSA-N	512.075	5.704	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2cc(C)cc(C)c2)cc1	408870566	TVBYSWKVEABWAV-ALQBTCKLSA-N	602.688	5.114	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3Cl)c(OC)c2)cc1	408871227	YEKMOIJXCGIOOF-XDHOZWIPSA-N	525.830	6.646	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1Cc1cccc(F)c1	408873397	QNCOOAFFRXSLIN-SRZZPIQSSA-N	554.403	6.582	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1Cc1ccccc1Cl	408883455	PUDXBPSVDAMUGU-VCHYOVAHSA-N	587.801	6.388	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408897269	RCISDIHTIBAIRO-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F	408926207	WCHTXHBGWHHVIY-HKOYGPOVSA-N	522.526	8.136	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1c(Cl)cccc1Cl	408927188	ZVYDUFMJTFMUDV-NHFJDJAPSA-N	641.514	9.035	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)c(OC)c1	408947859	BLRXZPSTONKRJY-PDQWDMBESA-N	795.400	5.501	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(OC)c1	408958385	YJUFNQSUKJRGQM-IDDHRHHISA-N	675.953	5.955	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(I)cc1	408967417	VSRNKRISLWAACI-KKMKTNMSSA-N	605.772	5.951	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(O)c(Br)c1	408969691	SBOGVVZXNFDDER-JYAAHYNGSA-N	579.278	5.107	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408971411	OACADDNHOGITHM-RMTDQYESSA-N	635.386	6.703	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408988537	IHFIQTGINCZFGF-HZHRSRAPSA-N	531.996	6.809	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1cc2cc(Br)cc(I)c2o1	409009863	ADCPGWXRHSDOPI-KKMKTNMSSA-N	593.190	6.282	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc(C(C)(C)C)c1O	409011078	LXRSNFZXSXGPOE-OPEKNORGSA-N	526.269	5.982	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409029600	AYRMXFVCMHFTAE-BIZUNTBRSA-N	518.642	7.205	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409065149	HULPDDRXVZNAPH-FYJGNVAPSA-N	541.862	7.899	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)c(C)c1	409074925	OKQXHZJJMYODEC-LICLKQGHSA-N	624.738	6.795	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2cc(Br)cc(I)c2o1	409084302	CLZKIQYTKZNTSZ-IFRROFPPSA-N	548.518	5.125	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OCC)c2)cc1	409153107	KWGBMSWBJNSIKN-ATZGPIRCSA-N	686.547	5.510	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409155396	PRPPFXOTVABUDM-VWJSQJICSA-N	574.943	5.030	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409225609	NEMIPVLZYOBVRZ-ACXHZZMFSA-N	577.380	6.137	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC	409226799	XBTDPCUPAWFIID-UHFFFAOYSA-N	801.441	6.499	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)/C=C/c1ccccc1	409227566	ZORWEWZWVZLFRL-NOZULVOLSA-N	577.593	5.449	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409245145	OAZJVIMYGHPESV-WQFTWXBESA-N	550.409	6.119	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409267631	WPXRQNWTDFZGGW-KOKCXWAISA-N	654.192	8.004	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1	409270143	CNGGAHQRDSAIIZ-DEDYPNTBSA-N	519.985	5.619	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1OC	409310680	CITYAQJKPYNUQR-MUXKCCDJSA-N	660.768	6.194	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409325453	YUBOJTVXIARONK-UXHICEINSA-N	636.863	6.174	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409325637	ZAPGHPYPMSMHGF-VYYCAZPPSA-N	597.871	5.050	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409336321	ROLJQBBZYJKFNR-CAQPMQTCSA-N	639.524	5.885	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1	409361859	DNRJYPIBNQQLOA-LFIBNONCSA-N	512.310	5.290	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)cc2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409371913	JQDMZQDBTYXHQD-DBFSUHOCSA-N	552.911	5.913	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc2ccccc2c1	409372450	XXFSMJMLORVABA-XKZIYDEJSA-N	535.356	7.235	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1cccc(C(=O)O)c1	409374474	QPHFUSORDMKWAK-JAIQZWGSSA-N	532.394	6.374	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409380671	PKZOUAHTVOKVJU-LDADJPATSA-N	521.957	5.016	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2I)cc1	409386324	PLMLGZRYDJYKII-LGJNPRDNSA-N	571.396	6.065	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394780	FTIHKVBQYFXNMF-UHFFFAOYSA-N	696.739	7.905	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409394904	HFKQJKFZRAEMJN-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409396041	VQKDNTVHMSRUPJ-UHFFFAOYSA-N	795.109	9.421	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Br)cccc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396499	TYUQZWDVVMZGJX-UHFFFAOYSA-N	705.005	8.430	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409397078	FYRMFBXNFAFRAL-UHFFFAOYSA-N	575.974	7.799	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409398287	SFKFQPJHJBTXNF-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCC(=O)Nc3cccc(F)c3)o2)cc1	409410678	ZRRBKXREWPCIIT-ADJDCTSUSA-N	693.957	7.603	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](OC(=O)c5ccccc5)CC[C@@H]4[C@@H]3C[C@H](Br)[C@@]2(O)C1	575624720	TZBBEXALLZOART-FKRVCEQWSA-N	533.503	5.675	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Cl)cc1	1529548059	WKFWMDNEYVJJFJ-RSIBHDLFSA-N	663.196	5.541	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccccc1F	1529548909	PQUYWUMPUOMSQJ-JKYKOXDNSA-N	828.442	5.499	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(Br)cc1Br	1531386387	VDPODNGEOREJNH-VHFSBPNMSA-N	707.419	8.143	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	1767603	CSBRTGLNGXZZPA-SFQUDFHCSA-N	569.278	7.065	50	40	KKGB	
CCCc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2	2417052	MQUUEQDKBBLPAE-SSEXGKCCSA-N	522.008	5.397	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cc(Cl)cc(Br)c1O	2753154	QNGZLGLCCYFRRB-NSKAYECMSA-N	570.300	5.094	50	40	KKGB	
Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12	2771693	OIHDJCFHHNBZGM-VTNSRFBWSA-N	545.477	7.142	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)c1cccc(Br)c1	3167143	ZVMQORAGVOCESM-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
Cc1ccccc1NC(=O)CS/C(Nc1cc(C(F)(F)F)ccc1Cl)=C(/C#N)c1nc2ccccc2s1	3271028	TZIWWIJZVRKBQW-ULJHMMPZSA-N	559.038	7.953	50	40	KKGB	
CCOP(=S)(OCC)Oc1nc(SCc2c(Cl)cccc2Cl)nc(C)c1Cc1c(Cl)cccc1Cl	4289033	YENLVBGLHPUGGG-UHFFFAOYSA-N	612.368	8.958	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3c(O)ccc4ccccc34)n2-c2ccccc2)cc1OC	4459768	XCUOSWLUHALTMJ-LQNQUEJISA-N	539.617	5.053	50	40	KKGB	
C=CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@H](CC)Oc1ccc2ccccc2c1Br	8384611	MEYOTLHAJBSCRD-WLMZRZLBSA-N	517.423	6.628	50	40	KKGB	
Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)cc1	9374694	JOOUVDCLWSQGBD-MZJWZYIUSA-N	505.372	5.196	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NC1CCCC1	13371759	UFVWIAHSYWJYTH-GZTJUZNOSA-N	504.222	5.756	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(Cl)cc1	20760148	IUSCOFHDTHZBNU-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58916986	HCOCAXPJHIPTLD-UMSHWFABSA-N	506.046	6.938	50	40	KKGB	
COc1cc(P(=O)(c2ccccc2)c2ccccc2)c(-c2c(P(=O)(c3ccccc3)c3ccccc3)cc(OC)nc2OC)c(OC)n1	72138070	OJCPYWGQWOWGIZ-UHFFFAOYSA-N	676.646	5.457	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1cccc2ccccc12	97960722	SKOSLURPEDZVGS-XYGWBWBKSA-N	602.472	7.530	50	40	KKGB	
O=C(CNc1cc(Br)c(Br)cc1Br)N/N=C/c1ccc(Cl)cc1Cl	98001550	SEVZKZBTXMFANK-GEVRCRHISA-N	558.883	5.843	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)c2C)c1	100122738	WJOIUMQQQVDSQQ-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)c1	100124959	CMEWKENGICFDQJ-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100126951	FEWCWTRUSCQFBK-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)o2)cc1	100878797	GDBFXTYSOQKQGA-CJLVFECKSA-N	546.048	7.150	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2cc(C)ccc2C)cc1	100958728	VZZOITYQDVNRTR-HPNXWYHWSA-N	591.733	6.690	50	40	KKGB	
CCCCCCOc1ccc(/C=N\NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OC	101088228	PFFOOLXKSMYQGS-ACXHZZMFSA-N	532.666	5.551	50	40	KKGB	
O=c1c2c3c(sc2[n+]2c(n1-c1ccccc1)CC[C@@H](I)[C@H]2c1ccccc1)CCCC3	101365976	UUKZGBARWOSNLT-HYBUGGRVSA-N	539.462	5.558	50	40	KKGB	
CC(C)CCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(COc4ccccc4-c4ccccc4)cc3)cc2C1=O	103041846	ZEQUWEBZWWZULY-UHFFFAOYSA-N	561.638	5.650	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Br)cc1	103889857	FJOPUNYDIITRIW-SXGWCWSVSA-N	611.117	7.652	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc(F)c1	103889939	WWVIYEQVXKYUFV-PXNMLYILSA-N	597.211	6.870	50	40	KKGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1	104134148	WQPWOVBSPAEQGM-PMERELPUSA-N	549.696	7.524	50	40	KKGB	
CC1(C)O[C@H](CP(=O)(c2ccccc2)c2ccccc2)[C@@H](CP(=O)(c2ccccc2)c2ccccc2)O1	104224856	KZUJPJPWSHHJRQ-LOYHVIPDSA-N	530.541	5.535	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc(C(=O)O)cc1)=N\NC(=O)c1ccccc1	104315771	CXRMBSIXGHDRIL-ZBIDQWECSA-N	507.554	5.202	50	40	KKGB	
BrCCCCn1c2ccccc2c2c1c1c3ccccc3n(CCCCBr)c1c1c3ccccc3n(CCCCBr)c21	150368714	MMFZZOUGISQIDN-UHFFFAOYSA-N	750.417	11.536	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1cc(I)cc(I)c1O	150409039	MNXQTBJHZIFNLF-LUOAPIJWSA-N	761.177	5.305	50	40	KKGB	
CCN(CC)C(=O)C12C[C@@H]3C[C@@H](C1)CC(P(=O)(Cl)C14C[C@H]5C[C@H](CC(C(=O)N(CC)CC)(C5)C1)C4)(C3)C2	195528730	SJTXNEPPGHDOAF-FEXTUHDYSA-N	551.152	6.918	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	195832285	MGBFDWVTDWPAPD-MIXBDBMTSA-N	502.856	8.545	50	40	KKGB	in-vitro
O=C(COc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408528068	QTKJDWOYEFPGJL-LUOAPIJWSA-N	587.095	6.627	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)ccc1OCc1ccccc1	408538595	PADLGTIYZOAHFF-ZVHZXABRSA-N	607.921	8.749	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539155	UHYKNJUULFBKEB-PCLIKHOPSA-N	555.030	7.061	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3cccc4ccccc34)cc2)ccc1OCc1ccccc1	408540375	QXPQGVLPNQDWID-QHDYCIAZSA-N	530.624	7.160	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(Cl)cc1	408542320	KPRICRZBRUHFML-GRSHGNNSSA-N	555.812	6.324	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OCc1ccc(Cl)cc1	408549889	AXQZAHFTBMQJNH-HYARGMPZSA-N	544.076	7.014	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(Br)cc1	408551369	CIPHXAGUWWYBDB-CXUHLZMHSA-N	581.091	7.600	50	40	KKGB	
O=C(N/N=C/c1ccccc1I)c1cc2cc(Br)cc(I)c2o1	408552423	UAAZEASUKOFICQ-DNTJNYDQSA-N	594.972	5.168	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408657480	UHWPNDDMSANAKR-HLFFMGMJSA-N	678.399	7.777	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1	408660364	PVUYQGGLXDGOGJ-UPVCBNJPSA-N	679.383	7.475	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408672636	OHOWYWSZFPUGMZ-YVSFHVDLSA-N	554.666	5.327	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408676087	FBVKKMFFMURDEC-KBVAKVRCSA-N	539.007	5.259	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408710908	WADXMOZAMSLMQI-LUOAPIJWSA-N	675.997	7.088	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(C)cc1	408711685	FSFWQBFFBOSANC-MZJWZYIUSA-N	548.808	5.995	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408728375	KPXUBHOLSSNJMT-PPOKSSTKSA-N	589.161	6.654	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408729649	BTFQBKUMDXQMCP-BVMLUPFRSA-N	529.021	6.003	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c1	408743560	GRTWBEKBVWSWJP-ZDLGFXPLSA-N	560.673	7.298	50	40	KKGB	
N#C/C(=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408755552	QRZOQUSOKHFWCS-PGMHBOJBSA-N	537.402	8.065	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc2ccccc2c1	408756372	QWASOPZNSQUBSP-FYJGNVAPSA-N	516.384	6.710	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc(I)c1	408766594	VUWVVPWPKLXYSA-XYOKQWHBSA-N	519.682	5.658	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2cccc(Br)c2)cc1	408785033	XEBDTVWVJSUXLQ-OGLMXYFKSA-N	536.451	5.256	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1C	408788889	MVDFIWFHCWIPRN-VXLYETTFSA-N	713.151	7.400	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc2ccccc2c1	408796906	QINPDOKQIXWKDY-OEAKJJBVSA-N	517.412	7.670	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCC(=O)OC	408798288	VOHTXWAYLLLVPZ-AWNIVKPZSA-N	528.186	5.252	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798648	WKBWTTFKBONYNS-BUVRLJJBSA-N	557.419	7.292	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Br)c1OCc1ccc(Br)cc1	408805640	BHZWQGMVCQUSGE-VCHYOVAHSA-N	590.699	7.307	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1c(C)ccc2ccccc12	408816900	UXOCIPXBMLJKCL-WSDLNYQXSA-N	622.890	7.848	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408819706	SLMHTSOZAUUPLU-VZFVBGRCSA-N	585.737	6.495	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408820209	UNZJINYGBFUNBK-CFRMEGHHSA-N	700.314	6.860	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408821271	FMWLUEDFGFAYJK-CIAFOILYSA-N	677.209	9.766	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OCc2ccccc2)c1	408834194	TZMAECIFFZGHMB-KOEQRZSOSA-N	525.004	7.052	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OC	408834837	VWIFFMDYMNSGCF-XDHOZWIPSA-N	541.829	6.634	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)c1ccccc1	408839018	LRRUFOUIIHRNAH-UZWMFBFFSA-N	537.572	5.329	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839141	NSSYUSOKZZJWPP-KKMKTNMSSA-N	501.826	7.278	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)c1	408842324	JAPOPAHBCPPWNT-UHFFFAOYSA-N	508.943	5.098	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(Br)c(C)c5)c4C)cc3)cs2)cc1	408846797	RIHUEZCFTWKLEV-ATZGPIRCSA-N	598.570	8.104	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	408847973	WGKOMPDKLDKWNC-RVDKCFQWSA-N	686.323	7.841	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc2ccccc12	408849276	YYRYNKLPGHVHAZ-KDHRXPGNSA-N	691.569	8.562	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccccc1	408849480	ZCBNMRSQLZTERA-MWBNBJEGSA-N	709.009	8.553	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1Cl	408853429	SFVXJKQPJVRAPA-XODNFHPESA-N	596.703	6.372	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408860711	CKEDSJMUQIKGBI-FABQOPTDSA-N	655.560	5.674	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)n1-c1cccnc1	408864851	ANOSJYCHXAJNIQ-YPXUMCKCSA-N	531.425	5.000	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cccnc1	408867467	KYFIOOHFXJDPIL-MRUKODCESA-N	568.063	5.712	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1Cc1ccccc1F	408868670	PMACRECKXVLOCL-WOJGMQOQSA-N	542.348	5.671	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408887626	PSWFEUWWQGRZCI-XODNFHPESA-N	552.252	6.263	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408948092	OTNQMQFZIUOOLM-MHZLTWQESA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C#N)cc3)c(Br)c2)c(OC)c1	408953770	MPJXKXWWRNIEKF-DBXYLJAYSA-N	755.420	5.391	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408957016	SCNYEUYOAPSZHA-ZRGSRPPYSA-N	597.101	6.326	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccccc1	408976224	AAXNVUIYCKHZTO-MSHUQIKOSA-N	697.311	5.802	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408976471	AXYAQHRNJYBJPW-PGHBFPSBSA-N	616.696	5.441	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc2)cc1	408979970	OZUOIBFZZRREAH-JBIOKXMTSA-N	556.471	6.122	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OCC	409011379	GIBFCALLJZCTIU-NSKAYECMSA-N	694.114	5.667	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccccc1Cl	409012424	HYMZBUCLSQZCRI-ITQXRDIQSA-N	709.070	7.998	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1F	409028024	ZIFCJHZJVYFWIO-OCSSWDANSA-N	539.032	5.232	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1F)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409032543	JFGCDDFXYAFOOU-KCSSXMTESA-N	522.605	7.036	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)C(=O)Nc1ccccc1	409046061	IKXMDOHRTULUCT-LICLKQGHSA-N	546.646	6.990	50	40	KKGB	
CCOc1ccccc1/C=N/NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1	409059925	YVJBDPWMTCBWBX-RWPZCVJISA-N	534.465	5.042	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409065920	KZWQSRKAALCYDD-GIJQJNRQSA-N	575.337	6.299	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc(I)c1OCc1ccc2ccccc2c1	409077545	FWSWFADZOKFPDU-ATZGPIRCSA-N	607.492	6.601	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409089720	JWKZMDJYADDFBE-PPDIBHTLSA-N	614.223	6.248	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1)NCCc1ccccc1	409139898	PDOBDVDIGHAHCW-FJEPWZHXSA-N	530.477	5.115	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc(Cl)cc4)(c4ccccc43)[C@H]2C1=O	409149858	SNHWBNYFWDAYAU-PADQZMDZSA-N	594.498	6.197	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3)c(OCC)c2)cc1	409164452	IREPWNUMJOFPIM-WCMJOSRZSA-N	631.911	5.396	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c(OC)c2)cc1	409171371	ZZAPJGRJMLBEIO-VTNSRFBWSA-N	625.520	5.360	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409212568	NBQRVDOEWZPUIB-IPPBACCNSA-N	546.476	5.960	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c(OC)c3)c2)ccc1OC(C)=O	409219507	NHJMOZBHLNQHER-NRPROXPXSA-N	652.616	5.172	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(C)=O	409219759	PYOZLSOMBYAWHG-HQDYHJHZSA-N	600.027	5.818	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409223565	IKHSJJXWMSVKBJ-WOJGMQOQSA-N	554.828	5.983	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409224688	LIFKFWMIQCJRLQ-CIAFOILYSA-N	503.986	5.837	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)c2)cc1	409225010	LNOAVGYSGKRIGS-UHFFFAOYSA-N	557.990	5.593	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	409227432	YOAAYQZQAYGMGQ-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409232145	HDALMVPMDIOBAQ-YPXUMCKCSA-N	631.323	5.835	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(I)cc1	409240866	QHQPDKWHVIUWQD-QLTNSANVSA-N	586.857	6.707	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)cc1	409251554	AFJJVOWIPMRPKQ-HYARGMPZSA-N	548.039	6.317	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC	409310833	CBYXFMYJHWEQMM-MWLSYYOVSA-N	586.426	5.525	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	409311437	GMJAKVZHRQWHNA-MUXKCCDJSA-N	547.833	5.861	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409331528	DNXPDLSAMYTQGP-OHUYPAJKSA-N	665.484	5.669	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	409372714	HJCXEJGLGUFGOJ-IPPBACCNSA-N	524.360	6.406	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2Cl)cc1	409384898	FUYLVIUUDCWKGJ-UVHMKAGCSA-N	522.970	5.553	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395851	SKUVZXUGOMFCLA-UHFFFAOYSA-N	696.739	7.905	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409396218	XDNZLWKQEXHBBF-UHFFFAOYSA-N	542.422	7.433	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409399069	XQRKKNCFFYWEKQ-UHFFFAOYSA-N	616.899	7.633	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Br)cc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409399145	YAONVFXBVIDIHO-UHFFFAOYSA-N	690.978	8.040	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409399157	YCYXAZSSMZZDJP-UHFFFAOYSA-N	665.371	8.594	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)O)c(Br)c3)o2)cc1	409403253	MILXXCHJWNNEMA-NUJZUDFISA-N	566.408	5.256	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409405716	UWGPDKFVJZJBIY-NEFCHJHOSA-N	573.646	5.759	50	40	KKGB	
CNC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2	1454081	MYKBFTFJGHJZRP-JLHYYAGUSA-N	500.407	6.099	50	40	KKGB	
N#CC1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	2761084	PPVKSQBGHPOHQD-MRDQGFSESA-N	565.844	7.253	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)s1	8770515	KCDCSKGELKWBSB-RPPGKUMJSA-N	514.394	5.358	50	40	KKGB	
Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(OCc4ccc(Cl)cc4)cc3)CC(=O)N2C1	12251088	WWWOJHGQUZLMMR-XMMPIXPASA-N	502.039	6.447	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccccc1Cl	13597242	HXWWRKFZQHDBCX-FSGOGVSDSA-N	518.086	6.518	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	58917440	GFBTXEHNRPGRDA-QHGAPEDZSA-N	516.110	7.329	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)Cc2ccccc2)cc1	100070308	GFNRZRCWTLYBDI-APTWKGOFSA-N	585.730	5.011	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303165	WGSCUARYHNYLEO-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCCCC(=O)c2ccc(C(C)(C)C)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	102808167	CENITZBTBPNKRK-NDEPHWFRSA-N	567.151	6.919	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(Br)cc1	102933041	ZYNDGXMOTGITME-GIJQJNRQSA-N	586.236	6.043	50	40	KKGB	
CCCOc1ccc(/C=N\NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1OCC	103449876	SFUBLUHROZAMMM-COEJQBHMSA-N	585.748	5.340	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(OCC)c(OC)c2)cc1OC	104166784	ZWBDAJWPJWYKPO-MXEGIGMXSA-N	554.688	5.222	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccccc1OCc1cccc(Cl)c1	112264851	UCTLVZKCURDSCT-LGJNPRDNSA-N	519.770	5.086	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342241	JALZGLPHHNARGP-UWTATZPHSA-N	942.051	11.564	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1Cl	150385825	LZKOAVWIQJPGRF-ZMGVVAQMSA-N	648.410	6.505	50	40	KKGB	
OCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	164087623	RULHONJLNQDWRE-BYPYZUCNSA-N	618.065	6.572	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408542623	MPWSNRJUHWSSFW-OCKHKDLRSA-N	502.781	7.387	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1	408552931	LSXRYKUTIRUYNO-MHWRWJLKSA-N	500.769	6.210	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553834	PUWCSCNMSXONIY-MFOYZWKCSA-N	589.273	6.636	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)cc1	408582006	KXNGOVXFULPJOD-WOJGMQOQSA-N	563.267	6.361	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408663007	YASVIXVOIAMPOA-DWNZLDCDSA-N	677.604	6.053	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408672229	MMPGTMJBZLIAII-JOLMYRCBSA-N	574.313	5.346	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1ccc(Br)cc1	408684591	PFDLOBDPYXIGLN-AHKZPQOWSA-N	607.298	7.246	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	408723625	YHCOFIVRIZYDHR-FJEPWZHXSA-N	553.840	6.372	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)nn2-c2cccc(C)c2)cc1	408724188	HHZGVZJRRBVZPW-QXUDOOCXSA-N	535.047	7.152	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1)S(=O)(=O)c1ccccc1	408727004	DAVDTXZRIFLVMV-FDAWAROLSA-N	596.934	6.570	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1	408735575	UMRLUJBKGMAQRG-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1	408744279	DSMUGACBGPSPQQ-ZDLGFXPLSA-N	507.340	5.311	50	40	KKGB	
CNc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I	408746408	YXOAWOZBNRBRQX-WDZFZDKYSA-N	608.015	5.246	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1	408746837	WJWLGMYWKDHBNN-PDGQHHTCSA-N	589.227	6.187	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2I)cc1	408747680	RNBHLIBGQRPUKE-CAQPMQTCSA-N	655.330	6.327	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408752380	IEKIHESHMSXZDD-KULFSUQXSA-N	603.557	6.891	50	40	KKGB	
O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1ccccc1Br	408754261	FWKQUFCGZMWYBY-FDAWAROLSA-N	523.386	6.739	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)c3ccccc3Br)cc2Br)cc1	408759134	YIDFELMLWIOTDT-BRJLIKDPSA-N	631.140	5.814	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1cccc(C)c1	408760910	AUIGUVFDBXYTEH-IWIPYMOSSA-N	531.450	7.009	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408761795	BOSFXJGLPQUSRA-APSNUPSMSA-N	591.643	6.898	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408766424	QJJTWUMZIIWVII-GZTJUZNOSA-N	572.393	5.069	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1ccc(Br)cc1	408776098	LRLWFOIONOLWKT-GATIEOLUSA-N	584.106	5.911	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408779037	PMPYEJQAQZDSDX-ODLFYWEKSA-N	636.317	7.187	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	408789168	OGYYBTQDLXXUFJ-UDWIEESQSA-N	569.839	6.412	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccccc3Cl)cc2Br)cc1	408792323	AKOCVFLDYLZJFE-FYJGNVAPSA-N	583.866	6.803	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccccc1C#N	408799539	ZLDOQGHYHRMJDW-AWQFTUOYSA-N	536.813	6.416	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCc1cc(OC)ccc1OC	408817867	URDURWJIYMQGBS-KGENOOAVSA-N	502.567	5.544	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccccc1F	408818041	XQSJIBURVUDLSE-SXGWCWSVSA-N	656.087	7.080	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc(F)cc1	408823491	FNLKKDDWYWUSFI-BUVRLJJBSA-N	727.368	8.295	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1cccc2ccccc12	408823910	FVDFXTSUFOTYNE-MTDXEUNCSA-N	759.438	9.309	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OCc3ccc(C)cc3)cc2)cc1	408827790	KTPXBGGUBZICFG-WPWMEQJKSA-N	567.483	7.770	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408835057	XWRCCOSEKRAVKM-WGOQTCKBSA-N	598.055	7.659	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408839099	MXHYDNKOIQTRED-XODNFHPESA-N	647.336	7.002	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl	408859423	UFAYBBLPTGBGOD-OPVMPGTRSA-N	514.159	5.208	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)c2C)cc1	408872854	KCMXPTSHQSKOFM-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1Cc1cccc(F)c1	408885159	YBHXJLUSXRGMQT-ZVHZXABRSA-N	526.995	7.203	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1c(Cl)cccc1Cl	408885452	AEXXZKANOFQBFL-GZTJUZNOSA-N	512.349	6.425	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OC(=O)c1ccccc1	408886809	MITAIKDUWKAVMK-WOJGMQOQSA-N	566.364	5.529	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cc(C)cc(C)c1	408890074	NJWSETQWVVLQMX-SRZZPIQSSA-N	528.958	7.499	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408891048	KLKRUJJOSGGBPJ-JVWAILMASA-N	597.509	7.778	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cc(C)cc(C)c1	408896447	REPRPTGHZUZYLU-DJKKODMXSA-N	607.275	7.348	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OC(=O)c1ccccc1	408897640	ZESDNFUTKITAGE-LGJNPRDNSA-N	540.395	5.061	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2Br)cc1	408922869	HDNIZMABMNMPQI-RPPGKUMJSA-N	585.263	5.246	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1	408970601	JBPGONBBBFVSDY-VURDCNJBSA-N	596.522	5.405	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	408971333	IMPXDBPDARSICD-WTWTXZBDSA-N	644.552	6.148	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408978812	KKNPYCIECJHZNJ-MCJRRVPSSA-N	556.062	6.329	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Cl)cc1	408984514	RRANTTHJHUPIQJ-YBFXNURJSA-N	515.824	7.479	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1Cl	408986149	LULCUCARELUSFE-GRSHGNNSSA-N	525.786	6.234	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	409017755	HBPIOQWANSQMKW-DBFSUHOCSA-N	614.250	5.776	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12	409045961	QJIFGCMNGXNVFT-CAQPMQTCSA-N	581.426	6.915	50	40	KKGB	
O=C(N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12	409050700	YQYIQCMZJYEWEG-DXJNIWACSA-N	502.530	6.153	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409080671	NQNSNHGUNDMJNK-CXUHLZMHSA-N	531.874	6.922	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409087742	HMFPVYJCDLCDQI-VGOFMYFVSA-N	524.238	7.685	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409089017	IDEPHCCRMDJRPT-LICLKQGHSA-N	658.361	5.631	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	409140715	RZPMBWLQESSJKH-JOCHJYFZSA-N	518.194	6.259	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1Cl	409147984	NYUCBBMLXABSCX-AREMUKBSSA-N	614.968	6.463	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1cccc(I)c1	409210784	LERPISVXKWXMPN-WYMPLXKRSA-N	523.827	5.595	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c2)ccc1OC(C)=O	409219086	IUOWDVOJWYFIAX-UHFFFAOYSA-N	586.000	5.509	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409223762	HGPMTNFZKWWZLM-IXXCKBAZSA-N	681.768	7.500	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc(OC)c1OC	409226731	SBEMWGLFIJARSO-UHFFFAOYSA-N	725.390	6.781	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)cc1Cl	409251701	BDPDUHHKTHRHNQ-APSNUPSMSA-N	648.695	6.645	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccccc1C	409255089	ZDOIRWXXZXZGDK-FYJGNVAPSA-N	595.437	5.870	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)ccc1OCc1ccccc1	409311308	FHJMKAJIUGIPSL-MNBJERMJSA-N	545.433	6.380	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	409323912	QBLXOYJDHQCXRD-FDVSRXAVSA-N	515.393	5.918	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1)S(=O)(=O)c1ccccc1	409339575	WLQZHICYPDLVKM-VEWQFJOQSA-N	573.074	5.154	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	409362851	KIPGDGWBQXASBJ-IBBHUPRXSA-N	552.856	6.406	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1OC	409365252	QKWDOFJMNUMFCR-QDTIIGTASA-N	690.703	5.838	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2Cl)cc1	409382784	OYBLMXOPOPTLFD-AEUUOICLSA-N	626.138	7.306	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	409386659	RBJZPXCVAPBZFX-MUFRIFMGSA-N	560.588	6.188	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409394761	FNTUHYSMGRTCBV-UHFFFAOYSA-N	690.934	7.176	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(N(C)C)cc2c1-c1ccccc1Cl	409395456	NVOIYUWMBWWEJA-UHFFFAOYSA-N	680.386	7.962	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc(Br)cc1	409397328	ISXQHPSDDPBHKE-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)o2)cc1	409408141	IUHWKXFLZSYYRL-ZMGVVAQMSA-N	557.990	6.642	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccccc1Cl	1529548235	BINDQJMZAXBGQM-AYSITGFNSA-N	844.897	6.013	50	40	KKGB	
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	2248267	GQAWXHXQZWYXCX-WGOQTCKBSA-N	504.011	6.318	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	2277091	RGPLNNAUZUAFRB-CIAFOILYSA-N	543.479	7.589	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccccc1	2672729	MYCZGIDFPVXHBU-ZXVVBBHZSA-N	528.587	6.481	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(I)c2O)cc1	3085502	BTYXLYMSMOKXSW-RPPGKUMJSA-N	587.296	6.002	50	40	KKGB	
CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1	8769364	YETCTZWCEFDZQW-KHEHCGDESA-N	509.675	6.711	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)ccc1O	9019742	OBRPVRPMISDUEK-JFLMPSFJSA-N	514.051	5.450	50	40	KKGB	
CCOc1ccc(/C=C2\CN(Cc3ccccc3)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1	20057261	NIMAEIGAJWYFAX-IACRLCCOSA-N	519.645	6.145	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1	20206921	KBGYRDDKXYWAPB-JBASAIQMSA-N	526.102	6.012	50	40	KKGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)c1	20243755	QORHRFYZXCPMFF-ROCQKPIASA-N	504.881	6.449	50	40	KKGB	
O=C(COc1ccc2ccccc2c1)N/N=C1\C(=O)N(CCOc2cccc3ccccc23)c2ccccc21	40138829	MAFZLOXYCLSWDI-NMSHJFGGSA-N	515.569	5.318	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccccc2OC(=O)c2ccc3c(c2)OCO3)cc1	97958605	IGUBLRVMMRHXAP-IRATXDJESA-N	639.108	6.055	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	97960692	ACIGRBYNZMQGCA-IWIPYMOSSA-N	541.438	7.397	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1ccc(C)cc1	97962884	XVNTWRFYGRPGEO-MNDYBZJGSA-N	534.410	5.422	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	97980901	VIUNSFXXNNRURM-ZSNJKBEMSA-N	634.762	6.128	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc4ccccc4c3)NC(C)=C2C(=O)Nc2ccccc2)cc1	98000140	KJXGUZRVCBZIRE-YTTGMZPUSA-N	574.706	6.945	50	40	KKGB	
C=CCc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1O	100853170	CLQXXEFGCLTSGB-MZFJOGFUSA-N	539.705	6.217	50	40	KKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1nn(Cc2ccc(Br)cc2)cc1Br	101665384	UYBCPQHXEBHQHY-MZJWZYIUSA-N	554.242	6.013	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1Cl	102006998	HRNUBIDMOJZKKD-XODNFHPESA-N	546.501	6.823	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1	102611211	VKWNGFWYHYFLKL-HHHXNRCGSA-N	534.125	7.960	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)N(c3ccccc3)c3ccccc3)=C(C#N)[C@H]2c2ccco2)cc1	102808693	PTHFCJXMIAQRQU-YTTGMZPUSA-N	618.715	6.889	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	102809582	NHAUMFCTAHKGPL-HKBQPEDESA-N	561.663	6.817	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(I)cc1	103138475	UVYNGZFDLOSCSG-XFXZXTDPSA-N	519.682	5.658	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cc2cc(Br)ccc2o1	103796956	FPZNPQGNLRVLQU-JEPNHJGPSA-N	594.896	8.737	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C(=O)O)cc1	103884082	ZCDHLFBPFYDHCQ-JLPGSUDCSA-N	590.474	5.381	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Br)cc1	103889133	WUXUDPZMHYKEEN-PDGQHHTCSA-N	546.248	7.279	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	103899330	OORVVUJRYBLNCO-QXUDOOCXSA-N	598.725	5.283	50	40	KKGB	
CC(C)(C)N[P@@]1(Cl)=NP(Cl)(Cl)=N[P@@](Cl)(NC(C)(C)C)=NP(Cl)(Cl)=N1	104382643	UJKDWFLDZNKOKW-PSWAGMNNSA-N	536.904	9.994	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c1C	105049811	JLZYYUXPXYMXPE-YBFXNURJSA-N	530.249	7.497	50	40	KKGB	
CCCCCCCC(=O)N/N=C1/CC[C@H]2C[C@@H](OC(=O)c3ccccc3)C[C@H]1/C2=N\NC(=O)CCCCCCC	105421572	PJTFIWCSJCSZJI-VNWDBYFASA-N	552.760	6.697	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCc1ccc(Br)cc1	107815395	OFUCTUXZLDNCDO-NHDPSOOVSA-N	538.239	7.125	50	40	KKGB	
CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341759	IHEGTBDQBURPBT-MRXNPFEDSA-N	970.418	14.822	50	40	KKGB	
O=C(CSc1nnc(CNc2ccc(Br)cc2)n1-c1ccccc1)N/N=C\c1ccccc1OCc1ccccc1	150371676	JBCZFZZXALROSZ-FZKWRIDDSA-N	627.568	6.463	50	40	KKGB	
CCOC(=O)[C@H](CC(C)C)NC(=O)c1cc(SC#N)c(C)c2c1Nc1c(c(C)c3oc(=O)c(C)nc3c1C(=O)N[C@H](CC(C)C)C(=O)OCC)O2	150383048	XANXZFNCXKCALC-XZOQPEGZSA-N	721.833	5.951	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2I)c1	164327213	JUNAEIQHIKVQKW-UUYOSTAYSA-N	687.319	6.530	50	40	KKGB	
CSC(=S)O[C@@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@H]1CO[Si](C)(C)C(C)(C)C	195759580	KRWSBTMVAZGCMH-CEXWTWQISA-N	559.790	5.421	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC	408539671	XXXKDRHAJFLLRO-HKWRFOASSA-N	533.894	7.786	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc(Br)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408540947	DCKXUSLMOPUUFO-MNBJERMJSA-N	580.479	5.192	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccccc1Cl	408568895	LKARZFPRAFIVSM-NUJZUDFISA-N	607.979	6.698	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(=O)c1ccccc1	408605697	MWENCPKCKCQUEB-KOEQRZSOSA-N	556.622	6.501	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)cc1	408640654	BIIWYNXUHVMBKO-XFSFDTJHSA-N	764.876	5.434	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)cc2)ccc(Br)c1Cl	408690479	VMWFSFVTOYTIBU-WVWDFQOXSA-N	614.707	5.177	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccnc2)cc(I)c1OCc1cccc2ccccc12	408722131	FDHYPGNZDWTQOX-CCVNUDIWSA-N	537.357	5.191	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c2-c2ccccc2)cc1	408743399	SSBALENDBUVXFO-STKMKYKTSA-N	530.584	6.882	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744889	HZUHXUMMSKIYHR-MTJSOVHGSA-N	690.706	7.827	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc(C)c3)cc2Br)cc1	408746149	RGXWXZYUZVLDPV-NDENLUEZSA-N	507.384	5.899	50	40	KKGB	
CCOc1cc(C(=S)N2CCC(C)CC2)cc(I)c1OC(=O)/C(C#N)=C/c1ccccc1	408752509	JBLKSXJHIHOBKI-DEDYPNTBSA-N	560.457	5.610	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1ccc(F)cc1	408768173	CNDXIUACARYNHH-YSURURNPSA-N	509.173	5.228	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1	408782137	WDPIFECPUICWSH-QNGOZBTKSA-N	517.412	7.670	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1c(C)ccc2ccccc12	408795139	BMYRHRLXBYOQDV-YDZHTSKRSA-N	545.466	8.287	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408796534	YNOLMLXWGHCVBR-PCLIKHOPSA-N	617.927	8.205	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1cccc(F)c1	408797893	SZQUGCAXGPLFBE-YZSQISJMSA-N	522.576	6.928	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1	408798956	XMYYDHYOTIAUKS-KEBDBYFISA-N	595.247	5.995	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2c(C)ccc3ccccc23)cc1	408805421	JYEFDBDQIVXBHS-XQNSMLJCSA-N	541.445	7.434	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1	408808926	HBEMZLYCPIRIKS-FBHDLOMBSA-N	581.264	5.894	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc(C)c3)cc2Br)cc1	408821555	IVWKGWNDHMQBQE-UUYOSTAYSA-N	521.411	5.577	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408824334	IBGMNRAMLKTGKL-LGUFXXKBSA-N	590.035	8.105	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc(F)cc1	408830330	OACCGUBVQDNNDX-MFKUBSTISA-N	648.472	7.451	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408830967	UMSAJBRXXQKTJZ-FABQOPTDSA-N	646.980	6.970	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408836887	WQQOFQHXBJXLHW-LPYMAVHISA-N	598.313	9.004	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(C)c(C)c2C)cc1)S(=O)(=O)c1ccccc1	408843311	SRWCBLUXJCBGDN-HNSNBQBZSA-N	560.119	6.733	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2cc(C)cc(C)c2)cc1	408845767	ZHKHJKXGZYDEKN-WCMJOSRZSA-N	570.498	6.524	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408847264	SQNMJUYABMIHKO-LMOHNTGSSA-N	638.595	9.230	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccccc3/C=N/NC(=O)c3ccc(NC(=O)c4sc5cc(Br)ccc5c4Cl)cc3)sc2c1	408848254	VERBHJXKIKXQIO-YLYVUXRMSA-N	737.484	9.729	50	40	KKGB	
COc1c(Br)cc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)cc1Br	408852968	OSBYLKNMLDOKMA-KVSWJAHQSA-N	564.249	6.319	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(C)c1	408865814	FVDSDAQXSOYPFQ-RGVLZGJSSA-N	514.931	7.191	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1	408865877	FBSKBXLWLBQNQS-ICUTVXMZSA-N	636.730	5.647	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OC(=O)c1ccc(OC)cc1	408882303	NIXCDTVEGPEDKE-WOJGMQOQSA-N	693.186	7.455	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1Cc1ccccc1Cl	408882959	SAPOAWYPHGZESV-CIAFOILYSA-N	570.858	7.097	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408899479	PRTXKEAIWKBYRS-XDHOZWIPSA-N	569.355	5.723	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)cc2I)c1	408905250	VXUWPNNNXLDDPG-PPDIBHTLSA-N	704.144	7.010	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(OC)c1	408924664	PVGFURIFJVZSHX-MMVATDKPSA-N	706.377	5.674	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1	408950700	SGZQAHRWKAFFEU-MUUNZHRXSA-N	657.576	5.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCc1ccccc1Cl	408953324	XMPGDEPAHACJLE-NDEPHWFRSA-N	627.550	5.457	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408956363	WEGYJXDSJLEOAZ-BKUYFWCQSA-N	652.464	5.594	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1	408969112	HMOIDLYGQAFSJC-XJPFLQATSA-N	609.466	6.115	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2cccc(Cl)c2)cc1	408972581	PELIEBARSYPSHO-TWKHWXDSSA-N	540.016	6.429	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408973382	YTROPBUYQMAZHY-SCNJMARLSA-N	558.506	6.384	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Br)cc1	408983940	ORXBFBUGXGUKIE-OCKHKDLRSA-N	530.249	7.497	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccccc1Cl	408985500	XDZPIZDRQJVFQK-GRSHGNNSSA-N	560.275	7.588	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409057052	OPYXWVRVISMVLB-LDADJPATSA-N	510.377	5.955	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409059522	QGQSRFMIIFFTFH-UVHMKAGCSA-N	540.469	5.196	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccccc2)cc1OC	409118372	PLMVVMVNFQITEG-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1Cl	409126698	FOBGGXNENULTCL-HSZRJFAPSA-N	528.834	5.420	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409143853	NREWEKVCLPIQDM-VWLOTQADSA-N	526.464	5.955	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409151309	BBXUQQIBMGZZRE-IBBHUPRXSA-N	595.494	5.188	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccccc2C)cc1	409184129	IYJXRLABPISNQQ-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409211265	NHBQOSLIKSUVLE-RPPGKUMJSA-N	564.845	5.841	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1	409212182	NROMALQIXSIYMV-XODNFHPESA-N	568.320	6.976	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1	409222221	BCZZMLYFPHUKAB-LFABJMPPSA-N	627.451	6.301	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409224697	NENMBLJYIXAVIT-IJNNNLDWSA-N	602.474	7.027	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1OCC	409226500	TWTBFXBBNOTRCO-GXBUFBABSA-N	610.623	5.936	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409227296	UVPUOIPCPBPPLL-ZMGVVAQMSA-N	607.406	6.146	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409234690	XFYMJHGGJPUGBM-UUYOSTAYSA-N	598.362	7.588	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409254447	XKGFRYLXDKQULU-MUXKCCDJSA-N	544.833	5.591	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)ccc1OCc1ccccc1	409261617	FIIKYCMPUYRCAB-VHFSBPNMSA-N	709.435	7.588	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)c1	409262467	FDDQYROUDDSMJC-PPDIBHTLSA-N	595.675	5.655	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl	409263999	JYTCLWDFQKWLSH-PPDIBHTLSA-N	579.676	5.955	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl)Nc1ccc(Cl)cc1	409264058	JLWNMJVHDSWDBG-BCHBDCPOSA-N	555.643	6.191	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C	409264258	QCMJMIIHKDFQPJ-KMUKQRDJSA-N	605.720	6.961	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)ccc1OCc1ccccc1	409313787	JABBNWMVTPSCFT-BJUCDSOZSA-N	658.774	7.796	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1OCC	409323817	PTLDYPFGNNUJSW-LQNQUEJISA-N	524.017	5.617	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC	409335864	PLTWZWWLPOBCJE-MBTHVWNTSA-N	619.412	5.348	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OC)c1OCc1ccc(Cl)cc1Cl	409372021	DMFMDGGAWTZMMH-ATZGPIRCSA-N	549.454	7.235	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409383051	QXZLJHJLVWMCRM-KOKCXWAISA-N	670.191	7.704	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2s1	409385326	JKWIENNGHRRMHS-KKMKTNMSSA-N	530.440	6.293	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)cc1	409394562	CEPOZIKAOYUGSK-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1	409394652	DGEYGCZBARDOIB-UHFFFAOYSA-N	660.366	7.409	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccccc1	409395681	QPBZMLFXTWPWFF-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409396854	BZKVRGHATKLYDI-UHFFFAOYSA-N	597.599	5.992	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(C)cc1	409401979	USFXTXFTJRNKJW-WBIBEUCMSA-N	642.550	7.689	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(O)c([N+](=O)[O-])c3)o2)cc1	409403771	NWNOIBNOXHCJIY-WKIKZPBSSA-N	508.918	5.297	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)o2)cc1	409403958	OUEOAVVEAGNSEK-MNDYBZJGSA-N	595.450	6.488	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)N1CCOCC1	409404157	PBERZRFJSSMINZ-QMRORBIVSA-N	699.986	5.692	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c([N+](=O)[O-])c1	1529549155	SYWIEIPDVBKJIP-ROKSKZBTSA-N	761.449	5.584	50	40	KKGB	
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[C@H](CCl)C(O)(O)C(=O)CCCCCCCCCCCCCCC	1570001175	CCQKIQWPENGQHD-QECOYPFHSA-N	609.376	10.731	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccco1	1246928	GKYXPXJYLMYYEM-RUZDIDTESA-N	535.025	5.648	50	40	KKGB	
CCOc1cc(/C=N/c2cc(Br)c(OC)c(Br)c2)ccc1N(CCCl)CCCl	1707134	DPVZBCVPPWWFDO-DHRITJCHSA-N	553.122	6.654	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1	1889039	DNCHLNOAKYPPKO-AZJLSSPBSA-N	516.381	5.468	50	40	KKGB	
C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1OC	2170057	XXTNDCKDGRWVRF-XMMPIXPASA-N	549.469	5.786	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(=O)OC(C)(C)C)c1C	2403586	ZGQBJSHYQROQNP-LGMDPLHJSA-N	525.652	6.297	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccccc3)cc2)sc2c1CC[C@H](C)C2	6167174	IYUOWNWRYDTHNV-PYMWCIDPSA-N	533.650	5.220	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(CC)cc3)cc2)sc(C)c1C	6167388	TWODDKOUSNMJNA-DSWROXKMSA-N	521.639	5.274	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1	6407967	CUFKRRIWHKFQJL-VCHYOVAHSA-N	555.803	6.781	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])n2C2CCCCC2)cc1	9329318	FXPWKYZKHHCFHQ-GBUKGSFUSA-N	504.616	5.574	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1Cl	19901190	JJJRTVUCQATDLQ-HSZRJFAPSA-N	514.434	5.790	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1)c1cccc(Cl)c1Cl	19926528	JCNRUGOXNSSDFZ-LGJNPRDNSA-N	510.830	5.377	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	19940092	MHFBATOXDRQKKC-MUUNZHRXSA-N	524.646	5.792	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1Br	20244014	YTPFTIQUMQFEIZ-CVKSISIWSA-N	503.849	6.557	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)sc2c1CCCC2	32194079	BBAUXDGIKAUZHD-AMVVHIIESA-N	517.573	5.994	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br	97994791	ACIRTQXEFLTTBD-JYRVWZFOSA-N	507.138	5.230	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(O)c(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	98048741	HYMAJYJBTJNPSY-LJAQVGFWSA-N	570.671	5.506	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1	100178391	WPBUBAQYARVCRT-GBQBHJDMSA-N	546.026	5.615	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	100476650	GXPCFFCTYCWJAS-LFIBNONCSA-N	526.730	5.776	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12	100478362	SHSPCJWJCNGURH-CVKSISIWSA-N	554.378	5.042	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)cc1	100989349	MFRPSUDIVXXUBR-YMGIJWJESA-N	536.426	5.962	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)c1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)c1	102512529	SQLDJEWGBKYRDB-XVZMSMGLSA-N	548.010	5.936	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](Br)CBr	103527396	FTIZSSQFBMPSFL-REOHCLBHSA-N	555.901	6.519	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889504	FNKRCRNCOGKYIG-ODLFYWEKSA-N	586.700	8.687	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	104024253	KVNWNGBXIWNSID-KGENOOAVSA-N	551.521	7.387	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(I)cc2)ccc2ccccc12)c1ccccc1Br	104402261	PEHJUIIZYWLBOO-RWPZCVJISA-N	585.239	6.550	50	40	KKGB	
O=C(Nc1cccc2c(OC(=O)C(Cl)Cl)c(/N=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc(/N=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)c12)C(Cl)Cl	150391146	LVWFQLIOPWPNRR-IZRQRQPJSA-N	913.656	9.637	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1cccc([N+](=O)[O-])c1)N2	150434819	TZFUGBWNJSFOOR-LAMIVESZSA-N	660.104	7.547	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1	150494901	WNYONIUQNLLVSU-HPNXWYHWSA-N	671.617	7.025	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1cc(Br)ccc1O	408567031	KGKNPSWGYLSNNL-RPPGKUMJSA-N	574.216	5.526	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408580240	NFZFZHQRJDWGDL-CAOOACKPSA-N	594.720	8.198	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc(Cl)c1OCc1ccccc1	408608813	PTXGCDSJJUTMMV-QGZVFWFLSA-N	544.833	5.186	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408610203	MSLPUDFNGIORIS-XODNFHPESA-N	504.345	5.199	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408710843	OXGAJFDUPNYQEL-IPBVOBEMSA-N	664.121	6.721	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408727155	YMUIUHZATKFKDQ-DJKKODMXSA-N	546.248	6.567	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(Cl)c3)c2-c2ccccc2)cc1	408739955	GYHNSLRSMAHUGC-FADJLKOXSA-N	548.042	7.405	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1C1CCCCC1	408740520	LGZBHQSYIMATOQ-AUGOTPMTSA-N	540.711	8.499	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c1	408743146	DYIXZSFNGCOGLW-ZDLGFXPLSA-N	560.673	7.298	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(I)cc1	408772844	NLGFCZVZGGEFFK-BHGWPJFGSA-N	512.178	5.769	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br	408791381	WWEDOKMWGQCVNM-VGOFMYFVSA-N	508.597	5.731	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1	408794274	HXKARFTZIKDSPB-VCHYOVAHSA-N	544.218	6.784	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1C	408794777	JFEKKOXHOOXJSO-DJKKODMXSA-N	558.245	7.092	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1ccccc1C#N	408796352	OVFGKVKBLRDSSZ-WSDLNYQXSA-N	560.404	5.631	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccccc1Cl	408798871	XKWSWHWUGVOZQT-PCLIKHOPSA-N	664.927	8.047	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2cc(Br)c(OC)c(Br)c2)c1Cl	408813300	PFDVSFQRSBRYKJ-YPXUMCKCSA-N	634.108	6.804	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)cc(Br)c2O)cc1	408820437	XSJBJFIDRSDFDS-MBTHVWNTSA-N	508.803	6.338	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1cc2cc(Br)ccc2o1	408820746	ZNUUAVRJILQZDM-AQLQTECXSA-N	568.254	7.998	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408825045	IYKPITSBRQFUJZ-YBFXNURJSA-N	543.834	7.345	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OCc4ccc(C)c(C)c4)ccc4ccccc34)cc2)cc1	408833701	SFDRNZYHENZNQG-NJZRLIGZSA-N	552.674	8.469	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408833722	SMKXNEJMZVDXHL-JJIBRWJFSA-N	512.968	7.183	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408838104	CCMJRGWPFHPIQD-KPGMTVGESA-N	566.828	6.882	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408838114	RLYHDYLPVDIPJQ-YPXUMCKCSA-N	584.323	5.993	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccccc1	408838951	KQWVHEWHAIIVSE-QXUDOOCXSA-N	562.695	7.604	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(F)cc1	408839093	MVQHWAXSTVFZJP-IZYHBKOJSA-N	706.581	8.347	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)o2)cc1	408840038	XBNOUQIGYXVGSJ-KCSSXMTESA-N	550.640	7.063	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408840734	DKRANZVYRIYMQD-RQRWGXNHSA-N	733.155	7.123	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408842621	BGMXZMYRSIIBPX-RMORIDSASA-N	555.020	5.496	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408854146	YLBDLADUMDAOCI-ULPWCQAASA-N	587.655	6.826	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cccc(C)c2)cc1	408863731	QJYOADUEMARXRF-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccccc1	408876268	NLRYLAXIEXIXMV-AJBULDERSA-N	528.678	5.311	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1OC	408879832	HBQYFNQTPQKYPT-UZWMFBFFSA-N	577.523	5.104	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1Cc1ccccc1Cl	408881824	MHOURRWABHSSFM-UDWIEESQSA-N	509.831	6.946	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccc(C)cc1	408887487	RAKQLHPESLRAGM-QXUDOOCXSA-N	530.709	6.966	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408891400	QCISLNRIKTUBNX-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408907060	LITBTJRHGWEQOB-DRQPSCMVSA-N	697.311	5.282	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)n1-c1cc(Cl)cc(Cl)c1	408924233	MDILGNILKIGDJM-ATZGPIRCSA-N	542.551	7.784	50	40	KKGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1	408924823	OQMMLRCVPFJHPX-GHRIWEEISA-N	528.733	5.709	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OS(=O)(=O)c1ccc(OC)cc1	408925509	RSBYAJLBJVFXSN-KEIPNQJHSA-N	610.773	6.245	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccccc3F)ccc3ccccc23)c(OC)c1	408949472	FNUCSTROCYQEDY-XGBIICRQSA-N	640.668	5.287	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408957595	VFAAYBOFVKLZJL-VFIZEWATSA-N	659.262	5.659	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408967141	SNKYKIXDPPOKGK-RPPGKUMJSA-N	616.324	5.205	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1)OCc1ccccc1	408991715	OYNFYXLTLQFFJH-YDXOOQSYSA-N	595.641	5.005	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409004698	BHXOPIGWGJWMNB-OJYCWLPVSA-N	552.675	5.730	50	40	KKGB	
CCOc1ccccc1/C=N/NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1	409005264	GXRDQYACWMUDLJ-CCVNUDIWSA-N	554.883	5.387	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccccc1C#N	409012634	KUYFIDBHDIILOJ-VFLNYLIXSA-N	630.236	6.023	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409012921	RWPMSQPYTFBHRJ-VYVUJPJFSA-N	750.982	7.807	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409025568	SLTCNDPWTRALAG-JWHWKPFMSA-N	603.144	6.253	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409053801	PUVGKZIJFCRZQW-XKJRVUDJSA-N	617.698	7.301	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCc1ccc(C)cc1	409198032	VCHVIFXYTOTYRR-WGARJPEWSA-N	514.363	5.260	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409220033	SXBICJKSSWAJQL-QDTIIGTASA-N	543.363	5.479	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	409220219	ZMUUWWRQNVRONT-ZMGVVAQMSA-N	591.407	6.445	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1ccc(Cl)cc1	409221913	BQUSHDNKRKKUBO-VBQLZTBCSA-N	576.996	5.215	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(I)cc1	409230687	FLPSOMJSOFECDQ-KQWNVCNZSA-N	552.412	5.535	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccccc4OCC(=O)Nc4ccc(C)c(C)c4)cc3)cs2)cc1	409262671	INFGUMHKBPDLDW-KMUKQRDJSA-N	589.721	7.260	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409266111	OSYKPBIETRXCOE-WOJGMQOQSA-N	601.828	5.825	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)ccc1OCc1ccccc1	409319670	JXRBKJHLCMUXCR-PMNVOCJDSA-N	604.317	8.231	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	409366096	YAALHOJLXOWVSL-AEUUOICLSA-N	609.683	6.791	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Br)cc1	409366313	UFOCCTGVKCDAFO-LSCVHKIXSA-N	590.211	6.434	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409366563	WELYGLSQKFGQCQ-IPBVOBEMSA-N	586.111	6.660	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	409372406	XHFJRELWDMAJFI-ZDLGFXPLSA-N	561.173	6.605	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1	409373251	PFOXBDXOVMXRJP-MXAYSNPKSA-N	594.203	5.234	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)[nH]c2c1	409374728	XSHHDZHNSAZHSD-APSNUPSMSA-N	503.216	8.128	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409394987	IMAJZMHLLMAWMR-UHFFFAOYSA-N	686.733	8.449	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409395827	SDXBEMJBWGKYAY-UHFFFAOYSA-N	776.265	8.676	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl	409396453	YMCKLMYBTUMEGT-UHFFFAOYSA-N	734.203	8.798	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(N)=O	409402253	JLGLMZLIDKUWEF-DMWKKASYSA-N	688.373	5.818	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC#N	409404749	QVNWKFIZLOZHNM-APTWKGOFSA-N	538.604	5.670	50	40	KKGB	
COC(=O)COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409405082	RZVRPVVDJNOFLZ-MNDYBZJGSA-N	627.435	5.186	50	40	KKGB	
Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1C	409406132	AKSJMNDAXDLEHF-HQDYHJHZSA-N	564.642	6.444	50	40	KKGB	
O=C(OC(=O)C(F)(F)[C@](F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)[C@](F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F	885164018	BHMVWXMCQRLOHB-HTQZYQBOSA-N	910.127	10.485	50	40	KKGB	
O=P(OC[C@H](Br)C(F)(F)F)(OC[C@H](Br)C(F)(F)F)OC[C@@H](Br)C(F)(F)F	1083812594	WSCIJIIKGKUROW-HCWXCVPCSA-N	622.835	6.122	50	40	KKGB	
CCOc1cc2c(cc1/C=N\NC(=O)c1ccc(COc3ccc(-n4c(C)ccc4C)cc3)o1)OCO2	1531387142	LCKSSWCJCRYMMF-FDVSRXAVSA-N	501.539	5.157	50	40	KKGB	
O=C(c1ccccc1OCc1ccccc1)[C@H](Br)[C@@H](Br)c1ccc(Br)cc1	3129204	ZGISBVXBMLYJKD-LEWJYISDSA-N	553.088	7.111	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(I)cc1	3272791	IQYRTDGJCNRFPZ-GZTJUZNOSA-N	535.307	6.263	50	40	KKGB	
COc1cc(/C=C(\C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Br)cc1	4196311	PKVICSPMUSXIJJ-GIJQJNRQSA-N	578.098	7.626	50	40	KKGB	
CC(=O)Oc1c(C)c(C)c2c(c1C)[C@H](I)C[C@@](C)(CC[C@@H](C)CC[C@@H](C)CCC(C)C)O2	5663148	BGDSBNWZQBGEIF-DATLNJEWSA-N	556.569	8.823	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1	20060072	NQSOLYZXHPKKAV-OVVQPSECSA-N	504.439	5.346	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	20760416	POKQTHCDGNQSLY-LQKURTRISA-N	517.383	6.196	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1	32519887	JXPHHMSJEWISAB-MZJWZYIUSA-N	512.056	6.170	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(OC)cc1	59117344	ROKHTKMCXFJYNM-QGOAFFKASA-N	511.361	6.166	50	40	KKGB	
Cc1cccc(P(=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cccc(C)c2)c2cccc(C)c2)c1	95671307	RBQXBXJJNKCMHQ-UHFFFAOYSA-N	531.480	8.459	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccco1	97950436	PGHYWTTXHRYNTJ-SANMLTNESA-N	549.052	5.957	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@@H](Cc2ccccc2C)c2ccccc2)cc1	97962952	PYBDNCVHYIRMFN-AWLRXGSOSA-N	591.527	6.310	50	40	KKGB	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)c1	97971830	BXIHPTDYVLIRLW-OQKWZONESA-N	550.644	5.283	50	40	KKGB	
C[C@H](CC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(=O)N(c1ccccc1)c1ccccc1	98045249	CQZCHRBREKRSHN-QGZVFWFLSA-N	551.487	6.266	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(O)c(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	98048736	DLNQOYIXTQYEGU-NDEPHWFRSA-N	556.644	5.116	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(O)c(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N2)c([N+](=O)[O-])c1	98048765	BCHRPWDNUQTHLI-MUUNZHRXSA-N	601.641	5.024	50	40	KKGB	
CCOC(=O)c1cc(-c2ccccc2)sc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1	100363394	IJDKGGIBERMSEN-UHFFFAOYSA-N	507.595	7.401	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(C)cc2)cc1	100380165	SAFSALGOQCCPKY-ZCTHSVRISA-N	560.745	5.778	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	100859677	RMCGEVIWDGCQBE-KCSSXMTESA-N	555.063	5.804	50	40	KKGB	
CCCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCCCCCCCC)cc2)cc1	100954939	YMZZKZONKTULJF-UHFFFAOYSA-N	524.746	8.020	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccc(OCc2ccccc2)cc1	101006363	IABJQOITSVEOJH-QOMWVZHYSA-N	559.713	5.488	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	101556527	GQFXQYIETRRXJK-NDEPHWFRSA-N	544.076	6.460	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccccc1F	102719141	FTVBSFFKEBIILX-HHHXNRCGSA-N	534.657	5.351	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C(C#N)[C@@H]2c2ccco2)cc1	102808275	HEJXPUXEUORQRM-MUUNZHRXSA-N	542.661	6.002	50	40	KKGB	
CCCCCCOc1ccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc1OC	102863920	XUZUELZOXVLTHQ-SILNSSARSA-N	533.675	7.749	50	40	KKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	103007398	CGZSTDPANHIVOY-MWAVMZGNSA-N	525.487	7.993	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	104402919	QOSIWJWBRUXZQN-KVSWJAHQSA-N	601.122	7.260	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	104766464	VHCIUEMROVCPFG-KBVAKVRCSA-N	585.465	6.113	50	40	KKGB	
Cc1c(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)ccc(Br)c1Cl	150401540	JBPMOWFLFUBGDW-YVELSALRSA-N	673.627	5.739	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1Cl	408565800	APCSHFWRASMUAF-KBVAKVRCSA-N	513.465	6.961	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1	408568761	KTSJHJXOGOVNHD-LQKURTRISA-N	521.664	5.020	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2Cl)cc1	408569295	MYHKFGAYQOYSPF-IPPBACCNSA-N	547.529	6.889	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccccc1Cl	408569439	NNJBQISSGRQUGT-IPPBACCNSA-N	563.528	6.589	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408599587	WWXIZTSQPNLOCG-OKCVXOCRSA-N	543.889	7.142	50	40	KKGB	
O=C(NNc1ccc(OCc2ccccc2Cl)c(Br)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	408604225	HTVVRUXQSAPPDP-INIZCTEOSA-N	532.797	5.317	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N2C(=N1)SC(C#N)=C2N	408606858	ROHMLDLKPBPMQD-QFIPXVFZSA-N	521.524	5.989	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1Br	408744412	FMPKILVWHPCDAB-DHDCSXOGSA-N	504.178	5.168	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c1	408744845	NOAJJNSYTUWELW-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408750455	NGEUILOWJBWYQD-FDAWAROLSA-N	545.979	5.222	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Br)c1	408757276	XWEYBVQRDUSJKV-JAIQZWGSSA-N	596.706	8.143	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408761230	CRGWCKVJHIWFRC-UNOMPAQXSA-N	615.395	8.666	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1	408785186	ZKYUUJBDBKCDPN-QJOMJCCJSA-N	544.482	8.117	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccccc1Cl	408787414	ZUNYATHAQBNCHJ-UNOMPAQXSA-N	587.845	6.144	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408790553	WXLOOKORYCETKW-WSDLNYQXSA-N	687.215	9.222	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408791876	DPWCSHBJVPDGPK-CXUHLZMHSA-N	656.645	6.379	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2I)c1	408795299	LLNKHBZCYCVZDI-CAOOACKPSA-N	689.118	7.636	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408798108	UUWHIKNDVFHGPO-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408800423	PETAIGLUCRLNRM-FYJGNVAPSA-N	606.314	7.807	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OCc2ccc(Cl)cc2)c1	408821026	BOVJVNFXEBMMMW-YZSQISJMSA-N	539.031	7.361	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c(OC)cc1Cl	408821034	BQLSNSBPMYJYEB-CAOOACKPSA-N	528.348	6.043	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCC	408836809	VVMTYQWUKDNIQX-DEDYPNTBSA-N	600.307	7.134	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408838630	YPZVPUGNOCQHDD-XZYGTATASA-N	701.039	6.743	50	40	KKGB	
Cc1cccc(COc2ccccc2/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c1	408842852	LHFUIBSDEUVBLI-IBBHUPRXSA-N	524.568	6.486	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408845412	WMORBSXFVRYVIC-JRZNSJKLSA-N	697.213	6.834	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408846053	QLSXBEQGWOTNAA-KVAAJVFYSA-N	691.947	7.390	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1	408850043	DLTGAPSBZJPSPM-VHFSBPNMSA-N	734.388	7.891	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1	408862742	HYIQHLKDDGRSCT-QNKGDIEWSA-N	571.699	5.627	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2ccc(Cl)cc2)cc1	408884721	ZAZGGVYOIYKMHX-LBTISBENSA-N	619.143	5.250	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(Br)c2)cc1	408889298	CFBYHONVBNTZQK-LPYMAVHISA-N	519.395	5.977	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)cc1	408897019	PTFIVQWSCKELIA-LDADJPATSA-N	501.797	7.170	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408897783	UAJCAXSTIWKJGI-OEAKJJBVSA-N	531.439	7.978	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(=O)c3ccccc3)c(OC)c2)cc1	408900374	VJDRPNAUJCVFEP-DEDYPNTBSA-N	549.377	5.399	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408904998	RSFPSHGFJHLXOI-CPDSRJINSA-N	577.306	7.536	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccc(C)cc1	408908977	ZPFWUBZUYYEMHK-FADJLKOXSA-N	593.705	6.081	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(I)c1	408943557	HVFHNYGFAISZPX-HHHXNRCGSA-N	797.897	6.171	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c(OC)c1	408955429	OPTRYFOWLJLACQ-PDQWDMBESA-N	675.953	5.955	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408968776	ZAPTUACSVUSFBH-VULFUBBASA-N	515.395	5.466	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1	408969785	UNLAOPFHUNGLIY-WZIHWWEMSA-N	610.549	5.714	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1c(C)cc(C)cc1C	408970048	ZEZSGSRWJDAGBE-VWIWPVDTSA-N	642.624	7.345	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1C#N	408979022	KVFRBYWFCJSQLQ-IXUGFNJBSA-N	546.627	5.547	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408996706	ACEHHNWAAPOJOD-YQHALXOCSA-N	762.464	6.510	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1)c1ccccc1	408999694	RMXHSZUGTAQREJ-MIHYEXDHSA-N	680.337	5.969	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2	409002521	OFMZRJWWIVFWCK-OWAHBEKCSA-N	565.626	5.405	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cccc(C)c2C)cc1	409027538	KDXVPSKXBLMPMO-STBIYBPSSA-N	546.605	5.126	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409034719	NWVSWRRDHKCEQI-ZSNJKBEMSA-N	589.120	8.703	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409037085	SIEDOCFAFBSOTL-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409038866	FTSQQQCALSEGGG-AABVJFSESA-N	607.950	8.857	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409054018	PUNBDGFKGJOWFX-XKJRVUDJSA-N	570.698	7.459	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409089855	KRDHRNYSTPAEBK-VGOFMYFVSA-N	620.743	6.108	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccc(Br)cc1	409125875	GCTUPZCRYNXICM-HSZRJFAPSA-N	619.253	5.955	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409127861	KDXUVVNSYAACBD-AREMUKBSSA-N	580.523	5.728	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409132280	XCLFJOKLCMRXRB-VWLOTQADSA-N	658.493	5.170	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(CC)cc1	409157148	HUQYLCSXDLKWJY-XAZZYMPDSA-N	683.330	5.665	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc1)Nc1cccc(C(F)(F)F)c1	409167811	JSHADGIEYGSBIA-KPGMTVGESA-N	566.561	5.801	50	40	KKGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1	409188269	YBXDUIIJGSXLOC-BRJLIKDPSA-N	579.270	5.941	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409196095	SVDNETJUNVYFNY-PXNMLYILSA-N	524.242	6.309	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1	409222638	CSUGBWYXXGLDJU-QGOAFFKASA-N	554.828	6.064	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)c2)cc1OCC	409224859	LCVWFXNTCCNTBG-UHFFFAOYSA-N	644.522	6.790	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cccc3ccccc23)cc1OCC	409226050	SODQIMFLQIJXKW-YKQZZPSBSA-N	527.533	5.529	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc(OC)c1OC	409226217	PWHULKNSWCZMJX-CQENHPAOSA-N	669.603	5.164	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409226499	TWSHVIQVEVKMMK-UHFFFAOYSA-N	632.069	6.000	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2Cl)cc1	409254882	JJKDLUHYEORCRT-YBEGLDIGSA-N	619.697	6.437	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)c1	409257857	QXDWYDONRZGWJK-RGVLZGJSSA-N	508.405	6.482	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)ccc1OCc1ccccc1	409309903	NVDMTQZJLYOLHZ-MNBJERMJSA-N	565.047	5.768	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1OCC	409310529	ARCGIODQXHOIAX-UHBFCERESA-N	559.432	6.127	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1OCC	409313179	NHXYVBSTALNAHO-FDVSRXAVSA-N	500.954	5.628	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)ccc1OCc1ccccc1	409322559	KJVCPFJFIZQDFC-KMUKQRDJSA-N	668.503	7.150	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1Cl	409360195	DDSUJDDIQXTTOS-FDVSRXAVSA-N	529.862	6.390	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409362887	TVDZNISBBAEPLK-IPBVOBEMSA-N	724.562	6.453	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(C(=O)O)cc1	409372263	UPRXOPYXKUMUOK-ODLFYWEKSA-N	543.332	6.170	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387025	SNPDSVQCQMRCEI-WKULSOCRSA-N	560.429	7.068	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409396471	YPTFYZMCTFHXAH-UHFFFAOYSA-N	763.701	9.369	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409396742	AQAJUUKPISLSQR-UHFFFAOYSA-N	632.072	7.752	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(F)cccc4c3-c3ccccc3Cl)cc2OC)c1	409397377	JFNUVZWXLASRPW-UHFFFAOYSA-N	571.992	6.628	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCC#N)cc4)c3C)o2)cc1	409400574	DPASYRUMKDVXDL-OJYCWLPVSA-N	561.642	6.340	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)O	409406041	VULTVCYLCJLJRD-BVMLUPFRSA-N	566.010	5.546	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc(C)cc2)cc1Br	1529547338	KOFSANIHAQOERV-KJPNIZKVSA-N	681.609	5.230	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(N(CC)CC)cc1OCc1ccc(Cl)cc1	1529548802	DSGSPBXRDZZFFU-RYAUWIGWSA-N	664.228	5.650	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	2339730	UJUHLTGLFTWYSV-UVHMKAGCSA-N	516.841	6.137	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1	3113619	XOTMBCCGJBBKMU-RPPGKUMJSA-N	566.633	5.613	50	40	KKGB	
CCOC(=O)c1c(CBr)n(-c2ccccc2)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc12	3144114	VLVZTOHKDLFKSP-UHFFFAOYSA-N	528.424	5.778	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)cc2)sc2c1CCCC2	6167004	XLDRGKVYUNFERK-ZBNAGYFTSA-N	575.731	6.271	50	40	KKGB	
O=C(N/N=C/c1ccccc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1	8427062	VTGRCDPJIRJVRH-GOJREDGKSA-N	542.635	7.188	50	40	KKGB	
CC[C@H](c1ccc(OC(C)=O)cc1)[C@H](CC)c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1	8453694	UTYWUJACSUMZTA-FIRIVFDPSA-N	570.557	7.731	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1Cc1ccccc1C#N	10118669	BTZCHGDTHPCULY-RWPZCVJISA-N	518.358	5.238	50	40	KKGB	
CN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Br)/C(=C/c2ccccc2Br)C1	20528761	CEKAVJKMBDFHIL-XISXUPMFSA-N	513.233	5.302	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1	31833857	VCRBSEPAYHGZNX-NUJZUDFISA-N	508.347	5.245	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2	33345100	VHCWOONLNQGYNO-MZFJOGFUSA-N	508.647	5.292	50	40	KKGB	
COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccccc3)C2=O)cc1OC	97946882	KIXGYZZJQFHEOZ-DIBXZPPDSA-N	544.611	5.391	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	97960714	IETZFQWZOSEGAB-JLPGSUDCSA-N	571.471	7.524	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1	98048524	IELPBGWKGFTXDR-XMMPIXPASA-N	545.492	6.103	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2c(Cl)cccc2Cl)C(=O)N1c1ccccc1C	101068535	IYXXGPXTFAKYEG-VJFFKGOWSA-N	522.457	6.675	50	40	KKGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1	101394952	YDUTURJQWMRREN-DEOSSOPVSA-N	547.430	6.663	50	40	KKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1OCc1ccc(Br)cc1	102932774	WVPAUQBPZTWDDR-YVLHZVERSA-N	524.327	5.196	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-]	102933460	HOHQTGPVKSYQTI-RGEXLXHISA-N	542.345	6.275	50	40	KKGB	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1	102970497	RVXPKNGLINQUNL-XHQRYOPUSA-N	575.452	6.719	50	40	KKGB	
COc1ccc(NC(=O)c2ccc([Si](C)(C)O[Si](C)(C)c3ccc(C(=O)Nc4ccc(OC)cc4)cc3)cc2)cc1	253573627	RQOFLDGEVYHBMQ-UHFFFAOYSA-N	584.821	5.749	50	40	KKGB	
C[Si](C)(OC[C@@H]1CCCN1)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	299803683	QJOICNDEWVSAJM-IBGZPJMESA-N	597.516	8.407	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2OC)ccc1OCc1ccccc1	408536723	AQWZTICHRCCJMI-VEILYXNESA-N	548.639	7.106	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	408538785	BQVCVRHSCUKLNQ-CAQPMQTCSA-N	604.457	6.678	50	40	KKGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408612301	UWRBCRKGACJHFK-LGJNPRDNSA-N	500.780	5.079	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccccc1Cl	408675854	BVQYUQOIJADZQF-OCSSWDANSA-N	556.888	6.444	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12	408710836	ODWXCEGGFSYCBS-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1	408725594	MLZCGXIMMBNMES-BKUYFWCQSA-N	538.385	6.123	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Cl)c1Cl	408736677	FEBNJQJWXWJYFZ-PKEXHZLISA-N	527.408	5.325	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc2ccccc2c1	408748475	ATIKPIWCGSRRKT-XICOUIIWSA-N	595.493	6.576	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408752787	GVHFAHYDYWKFMM-ZDLGFXPLSA-N	601.251	6.643	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Br)cc1Br	408775625	IPKJMLLEORWGPZ-NVMNQCDNSA-N	567.199	7.882	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccc(Cl)cc1	408776129	UJINFGDONLRPSU-JAIQZWGSSA-N	525.830	6.853	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(I)cc1	408787926	AYMJCTMYFOPFPO-YVLHZVERSA-N	536.196	7.250	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	408790414	WARYEYNHKWEEKT-KEBDBYFISA-N	631.264	6.493	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1	408791302	VUNYAYWAKPDXQT-LZYBPNLTSA-N	675.091	7.327	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1cccc2ccccc12	408795137	LGABSILFTZOFDK-MFKUBSTISA-N	602.472	7.585	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408821195	DNEHYNGHTOHOBH-SRZZPIQSSA-N	677.209	9.766	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1Cl	408821485	IBHTUTUWJRLGDQ-ACXHZZMFSA-N	615.495	5.075	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)cc2Cl)cc1C	408822521	BAYYDRQAJCXPMA-WGOQTCKBSA-N	557.477	8.314	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1	408838269	UFOATXKAHUWQDU-IWMVZOEBSA-N	676.795	6.111	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838909	JZJDFSHADYARKI-HAPYPFFUSA-N	684.652	10.749	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(I)cc1	408839279	PWVSOQCFKOOJKE-QNVXDBMFSA-N	820.878	8.768	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408839399	RPDNPJFXBQUOFF-KVAAJVFYSA-N	691.947	7.390	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408843725	MWCICUVITKNSHV-MWBNBJEGSA-N	632.525	7.842	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408844798	PKKKIWDIRPSBCJ-PTEHHBOZSA-N	686.846	9.619	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845146	OZGFJBROHRKOAT-FJEPWZHXSA-N	533.440	7.884	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc(C)c1	408847357	UIIFSDHGOOQUSA-IDWIKUEFSA-N	564.085	7.766	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1ccc(Br)cc1	408848417	WDYGNHNMAUGCTL-FUAVBRFPSA-N	612.480	6.483	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408852517	GWJLNLQOFQMTGG-FXMZOFOKSA-N	719.086	6.887	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2I)cc1	408854424	FNWJOATYUSIBDD-PPDIBHTLSA-N	619.209	5.841	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cc(C(=O)O)ccc1Cl	408856430	ILUCSHJRAWEDFB-RAWMCFOBSA-N	514.763	5.718	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	408860776	DXQWYWXQQRRCFL-FMFFXOCNSA-N	576.118	6.135	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2cccc(Br)c2)cc1	408863876	ROBJOJUNOFLMSX-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1Cc1ccccc1Cl	408867945	MUPCNBGVPHLQPZ-VCHYOVAHSA-N	563.801	7.656	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)Cc2ccccc2)cc1	408870584	WPKUZYARFUUNFQ-MNBJERMJSA-N	565.095	5.097	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408879395	DDPGGLSFOYDLKQ-OVCLIPMQSA-N	561.175	6.429	50	40	KKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2Br)c1	408884972	WJHIIVAEJHVOLT-CIAFOILYSA-N	524.256	6.965	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(Br)cc1	408951683	MHZHKUBNJFDGEB-XKZIYDEJSA-N	623.345	6.936	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)cc(I)c2OCc2ccccc2C#N)c(F)c1	408968350	VUKXYTOWWWRLHW-XKJRVUDJSA-N	650.189	5.121	50	40	KKGB	
CCCCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408972773	XASRHLMUIYLJSI-YOTHKDBCSA-N	679.439	6.979	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	409001403	PPLVHHKNWFTLRS-KKMKTNMSSA-N	670.241	5.254	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409002119	MFNXQZCKCXMNFP-QXUDOOCXSA-N	597.624	5.347	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1	409007629	YJZLQPRKXQSDKZ-RRVKPBQCSA-N	648.307	6.814	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccccc1F	409038887	FUJWZTCAWLATMA-HQDYHJHZSA-N	584.445	7.155	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1	409106589	OFDLXGZVXQOSAD-ROTLSHHCSA-N	554.691	6.545	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Br)cc1	409188869	HBFSZOUAZKQNRZ-RPPGKUMJSA-N	536.651	6.516	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccccc1Cl	409195539	WFLZFFXIMYSXAX-YVLHZVERSA-N	536.797	5.498	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)/C=C/c1ccccc1	409225231	NQBMCHLJRCHGHU-CGCKZLLTSA-N	578.581	5.629	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409225540	QWYNARPMOUTBEC-MCKSLJRYSA-N	681.421	7.011	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1	409230373	CISWLWGQECTQET-YIRYVTQCSA-N	541.445	6.974	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)NCCCc1ccccc1	409242709	XUAYYWPXACJCOP-BKUYFWCQSA-N	588.727	7.100	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)cc1	409260525	RNIOCTRWHXUROP-QKEDOHSHSA-N	520.029	5.438	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	409261556	DPJAQIHWQQLAME-PDGQHHTCSA-N	524.802	5.974	50	40	KKGB	
N#C/C(=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1	409261744	ATNBMJVQIFMNNO-WJDWOHSUSA-N	500.769	6.210	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	409305880	XPSGFDIQRGGBNF-DLCNMLRHSA-N	681.381	6.889	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OCC	409312685	GMWOYIXKSTUSKL-LQNQUEJISA-N	538.000	5.094	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)ccc1OCc1ccccc1	409319298	DCTYHPFXWPGSIJ-BJUCDSOZSA-N	642.319	7.281	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)cc1OCC	409322021	KIDQJCVITZSLCO-LJUMEUDFSA-N	573.459	6.517	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)ccc1OCc1ccccc1	409325644	ZEGNGONMASQNFB-KMUKQRDJSA-N	621.503	7.308	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1OCC	409326024	FRGIWNBSUCOMAK-YKQZZPSBSA-N	509.002	6.045	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409326086	GNTYKCNOCBOFCO-KYHGBAKBSA-N	712.453	6.650	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409331937	INPCLVSRNBVEAG-VQTJNVASSA-N	613.317	5.264	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	409337687	XXSUTYALIYKDBV-RUMWWMSVSA-N	535.754	5.758	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	409364351	PEPIDGCQCKXCBO-NUJZUDFISA-N	505.829	6.490	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1OC	409365075	PVHFUEQWEKSMCA-ULPWCQAASA-N	725.148	6.492	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	409365782	RZFOENZJCGEMII-VFLNYLIXSA-N	551.268	6.296	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(-c3cc(Br)ccc3Br)o2)c1	409372575	MUFLJWJQOJXEEI-KSEXSDGBSA-N	505.166	5.194	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409373160	NMGPVRZPEDVHSW-IBBHUPRXSA-N	502.401	6.922	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(OC)c1	409373755	UHTOXOVRGXTWJH-DPNNOFEESA-N	616.455	6.958	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409394495	BDJBMDQPHZVMJF-UHFFFAOYSA-N	679.796	8.613	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccccc1	409394970	IGOHRODQWGREPF-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409396223	XEFAXDHIQGQFCW-UHFFFAOYSA-N	731.184	8.558	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409397732	NICDZOQQJGRWKQ-UHFFFAOYSA-N	650.902	7.712	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401998	IVIYYVWHYVFRQE-WBIBEUCMSA-N	611.098	7.009	50	40	KKGB	
CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@@H]2OC	1307302196	KASDHRXLYQOAKZ-SLPCOWESSA-N	810.466	5.719	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccc(F)cc3)cc2)c1C	1529548843	MBGFOJWQPRZOKU-OPQHIAOESA-N	669.779	5.697	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	1864348	AZMXZTAYKTWRLP-RUZDIDTESA-N	598.046	7.127	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccncc2)cc(Cl)c1OCCOc1ccc(C(C)(C)c2ccccc2)cc1	2150026	MCCRAJXVOCZJFM-KEIPNQJHSA-N	544.051	6.291	50	40	KKGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1	2761540	CRUJHMJNBDTIRL-JMQGSBJISA-N	557.006	5.964	50	40	KKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccco2)cc1	3038403	DAKHYWPYLPNRGG-UVHMKAGCSA-N	578.257	5.850	50	40	KKGB	
CCOc1c(Br)cc2ccccc2c1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1	3080018	ZBHPLDYKKPFBQN-WWSKRGBXSA-N	513.435	6.457	50	40	KKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	3092473	RMBWHUOXIBRBSV-MUFRIFMGSA-N	502.368	5.384	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)cc1Cl	3143788	ADFKDRLNAUFWFQ-OCSSWDANSA-N	518.038	5.246	50	40	KKGB	
CC(C)CC[C@H](Cl)COC(=O)c1ccc(CCc2ccc(C(=O)OC[C@H](Cl)CCC(C)C)cc2)cc1	8453734	FRQHIHQGHLTZNX-HNRBIFIRSA-N	535.552	7.873	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)[C@@H](Cc3ccccc3C)c3ccccc3)cc2)cc1	8861190	PXEYJOHSOBHURJ-NYRFQVNLSA-N	512.631	5.548	50	40	KKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c2C)c1	14358941	CNYNHXXXHHTZCJ-IURWMYGYSA-N	505.968	6.727	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	16688561	JXAYXLLVIMZVJC-RQZCQDPDSA-N	517.796	6.876	50	40	KKGB	
C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc(SC)cc2)nnc1-c1ccc(Br)cc1	16713484	WJTGIMMMMXXQHG-WYMPLXKRSA-N	516.490	5.248	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1	28217716	MQTGPOZGFNKJJR-UVHMKAGCSA-N	517.807	5.528	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	28217983	VXHIHJGNNSZDBE-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1	97957717	PCNGNFLUHZOKIZ-YXTVXKGXSA-N	604.714	6.983	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(=O)N/N=C(\C)c3ccccc3F)cc2)cc1	97981218	ORQDJNZTNPLNSR-WEMUVCOSSA-N	545.636	5.379	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1C	100125524	KJTPDKUPXLHYAR-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccc(Br)cc1	100858326	WOPFMBDGCIOWOH-WKIKZPBSSA-N	561.292	6.246	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)c(O)c(OC)c3)nnc2-c2ccc(Cl)cc2)cc1	100972704	AKXLINOSTJTSFO-IPPBACCNSA-N	616.925	5.706	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2cccc(C)c2)=C(C)N1	102760682	TVEVUSTYTMOZMD-SANMLTNESA-N	542.617	5.081	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCc2ccc(Cl)cc2)N1	102807329	GQVJNESCRAAXQF-RUZDIDTESA-N	540.903	7.915	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)[C@H](c3ccccc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)[C@@H]2c1ccccc1	104307852	ITPHRFCCQSMNNU-KYJUHHDHSA-N	618.828	7.899	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	105160495	NEAVUQKQDLWDGS-LICLKQGHSA-N	535.747	7.246	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(I)cc1	164742776	ITXPPTYRXOXKPK-SXGWCWSVSA-N	658.117	7.494	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539782	YYZMQLUHRHNWEP-UUKRNIFRSA-N	698.845	9.191	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(C(=O)OCC)c1C	408545948	AJRQJOCCVRGUOU-FYJGNVAPSA-N	592.626	5.625	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(Cl)cc1	408550989	LFIWLTHGADKNNV-ZDLGFXPLSA-N	629.907	6.890	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	408570856	ZKJZQOWMPTWSTF-BRJLIKDPSA-N	503.001	5.306	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408601449	AZDUPVBLEABLPN-GOSISDBHSA-N	514.409	5.386	50	40	KKGB	
O=C(NNc1ccccc1OCc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408605412	KCCKYBCUXSJGMB-INIZCTEOSA-N	504.801	5.722	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1	408612502	VRKDKUCWFXUYDL-MUFRIFMGSA-N	514.409	5.840	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1	408638871	UJIRWOQETKHNOX-ZBLYBZFDSA-N	552.042	6.692	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	408643976	GQNXNXLUQSWAJK-OZTQZWFPSA-N	549.813	5.177	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408645154	HMJFIOMRCYBDHF-LAMGUMKKSA-N	673.185	5.409	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408650250	LZVVTXUSGXRVRJ-NEVJFVJPSA-N	657.186	5.708	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408659109	VOAFFNXHEYVZNI-XKHOSYEFSA-N	755.268	6.292	50	40	KKGB	
O=C(O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408671241	KGAHRVLMSVZFPH-AHKZPQOWSA-N	642.289	7.698	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2Br)cc1	408677753	UQVCMUCQMFGUGZ-LQKURTRISA-N	522.399	5.090	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408686286	RIBVMNBKJLRZIE-MUJBESKKSA-N	645.573	5.438	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408724621	GGTNXPJVVJJXSO-NDENLUEZSA-N	554.384	5.742	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408726290	MWNUTNZSKYFHMF-LUOAPIJWSA-N	616.093	6.698	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408726450	MHKWVVQLGQHSMV-PPOKSSTKSA-N	633.792	6.131	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)c1	408745330	LSRWANVZAKWDEH-JAIQZWGSSA-N	617.281	6.886	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(Cl)cc1	408745584	SYGVAQDTSYJJOW-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCc1ccc(I)cc1	408747603	QEBKMWLYSLBXTN-MZJWZYIUSA-N	656.258	5.646	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(I)c1OCc1cccc2ccccc12	408753755	HUMADSPPDBUHAY-UCQKPKSFSA-N	602.428	6.780	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408761632	ADDQOFQESUAUOG-MOSHPQCFSA-N	583.460	5.672	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc2ccccc12	408765679	XDCXXZFLDUFZLJ-XSFVSMFZSA-N	516.384	6.710	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(I)cc1	408784392	SDLHWDZQFIBINL-OVVQPSECSA-N	595.890	5.297	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)cc1	408790080	NFKAIXLJMVKVAI-XDHOZWIPSA-N	512.322	5.863	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1C#N	408791163	UZDBTOYAEVHGCD-DJKKODMXSA-N	569.786	5.950	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	408791991	GHRUQAFBCMDBCS-RQZCQDPDSA-N	506.216	7.733	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1C	408792261	ABWUOMMUHKDTGB-VXLYETTFSA-N	666.151	7.558	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC	408792579	BAVNTUQAIMZFRE-OVCLIPMQSA-N	508.743	5.372	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1cccc(C)c1	408793280	ODWCEZRKKNFXEG-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408794486	JHUDTHBVRSPUNT-YBFXNURJSA-N	666.151	7.503	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(I)cc1	408799520	ZSCGCLHBFFAWIS-RGVLZGJSSA-N	664.281	6.646	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408808134	FDYPGHSNIDHVFK-PCLIKHOPSA-N	569.499	7.997	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2ccc(Cl)cc2)c1	408810926	VAWZJBKCUWFKMU-KOEQRZSOSA-N	525.004	7.052	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1	408818242	YFUMCZLYIHBRPP-ICUTVXMZSA-N	551.650	6.810	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408832182	RMMHAXIUAOGLHK-MTDXEUNCSA-N	729.014	9.509	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)cc2)CC1	408832215	XFTLEZUPRBJQMJ-CHSHITCJSA-N	712.472	7.438	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2cccc(C)c2)cc1	408834426	ZUVUIEYVEZXLNX-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408834462	WDIFENSXPOUBOK-YBFXNURJSA-N	635.285	7.296	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408836781	VLJSOVFXYNHWPW-HZHRSRAPSA-N	618.871	7.714	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1	408843665	RPMDLDBBEAYNRO-JJKQSNDFSA-N	607.427	7.079	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2ccc(C)cc2C)cc1	408861599	TUZNUKPMFFYKNT-OXALXDSDSA-N	612.752	5.214	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408862166	DAMBZCRDYOENFB-XZYGTATASA-N	733.106	7.156	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408866026	FFSVNEFGSXZZPG-ATZGPIRCSA-N	677.404	6.689	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Br)c1OCc1ccccc1Cl	408870100	UWYBIXULBHWKGD-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1	408879286	CUAJYSFODCPMJP-WOJGMQOQSA-N	508.328	5.491	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cc(Cl)ccc1Cl	408886868	MSZFINRJMURSKZ-VIZOYTHASA-N	709.536	7.981	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1	408890535	VHXAVRFMKOSWAA-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2cccc3ccccc23)cc1	408890753	YPYWWHAUPYKDOA-RCCKNPSSSA-N	511.375	6.676	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1	408893702	GVOGMNWHXJNSRY-YBFXNURJSA-N	570.827	6.843	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c([N+](=O)[O-])c1	408894810	IZQZGEZMBLLZKO-FYJGNVAPSA-N	558.388	6.644	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OC(=O)c1ccccc1	408894994	SRSUNOZNNSSTGH-WOJGMQOQSA-N	525.786	6.184	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1	408899508	PXQKULWQEYLDGG-MZJWZYIUSA-N	517.807	5.609	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(I)c2)ccc1Br	408904275	HJVZBERJHAAIAG-ZRGSRPPYSA-N	643.117	6.859	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc(Br)c1OCc1ccccc1F	408924816	OOUVZLUHSUFLAI-VCHYOVAHSA-N	570.371	6.028	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1	408949126	QMQQEQQRFVIPMK-HHHXNRCGSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2cccc3ccccc23)c2ccccc12	408949386	QVQFVRTYMDHTBI-DHUJRADRSA-N	645.785	6.036	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12	408949601	RILBFUFIIWSVTR-PMERELPUSA-N	616.143	5.228	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCC(=O)Nc1ccccc1	408949898	SPJACOZZLSIOBD-MBTHVWNTSA-N	583.382	5.218	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	408950975	STZAURICNHGGBT-GDLZYMKVSA-N	750.499	6.619	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccc(N(CC)CC)cc2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408957774	VVWFXWUEPNWONE-GPNAAFTMSA-N	712.631	6.147	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc2ccccc2c1	408981397	AVUUPPJQMGMIIM-FMCGGJTJSA-N	608.863	7.540	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1	408996297	HGSMOQKGOXOKED-SEOSEFJPSA-N	523.976	5.975	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc2n1Cc1ccc(Cl)cc1	409014315	XDPHOGAACCEFLZ-VVEOGCPPSA-N	646.710	7.529	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409014698	YCFQGUCEBJTICX-VYVUJPJFSA-N	722.986	8.212	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409030253	DYZPYGKJBWPZGV-FZKWRIDDSA-N	581.028	7.205	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OCc1ccccc1Cl	409039183	QRZFPJCVLYANRG-LQKURTRISA-N	515.835	6.163	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409039394	QVYMRIZQQDRGKU-MUFRIFMGSA-N	610.477	6.496	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1	409043642	SNMGLQWXKZBCML-LDADJPATSA-N	536.382	5.029	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1Cl	409051020	GVANAIXIYVIHSV-KBKYJPHKSA-N	675.648	6.109	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409070452	XUBLXZRXWXGMGO-SFQUDFHCSA-N	550.942	6.071	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCOCC2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409081761	QOAQKYHKFTYRHA-MFOYZWKCSA-N	587.241	5.341	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409118744	UHOAATUBJNLQJJ-QXUDOOCXSA-N	613.692	5.373	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1	409149627	LPIFDNZAIIDMRN-XODNFHPESA-N	592.817	5.344	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Cl)c(Cl)c1	409150213	AMEICQKTSHNKRL-WCMJOSRZSA-N	607.332	6.993	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409150623	COGIHAGVZJCVCN-IURWMYGYSA-N	546.933	5.082	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1Cl	409164986	QQKYHSKLCHRKJO-KVSWJAHQSA-N	578.250	5.171	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1	409184168	JGECAYIDIOIIQW-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)cc2c1	409186593	FIBVSDOOWJNERS-IPPBACCNSA-N	557.828	6.599	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1	409223248	DWPUDWIAVGUWEO-QLTNSANVSA-N	523.402	6.350	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccc(Cl)cc4)c(OC)c3)c2)cc1	409224945	OFTDHUYINKKJSY-FLTUVTEGSA-N	584.028	5.992	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409225183	JQKXSNMABOUQRU-KKJJZKEWSA-N	572.830	6.317	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409225890	SGLXXEYNRCYAMT-UHFFFAOYSA-N	645.691	6.693	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccccc1C#N	409239782	FDGSHJSTSPNNMI-OYKKKHCWSA-N	530.422	5.564	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OCc1ccc(Br)cc1	409242928	PURDRADPUOCUJV-WYRWUVFZSA-N	531.450	6.550	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(OCC)c2)cc1	409252069	RXNLHXZDGKPTSC-CPNJWEJPSA-N	554.430	6.354	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409254040	WGQLLAVZLBJGRE-RODHXAHZSA-N	660.583	7.959	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409254617	JACKEONAMBVSBS-WSDLNYQXSA-N	518.013	6.145	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409259492	ZXKUYFZURDFMDS-UDWIEESQSA-N	582.882	6.681	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409310693	CJQNZYVWKXMDKI-VXKWHMMOSA-N	606.926	5.228	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OC	409311366	FPPPTZMIUJJQTR-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409313517	QCCZUMCYLVBEEO-WOJBJXKFSA-N	602.418	5.521	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1Cl	409313639	QKDQRCUDLBCIBP-MTJSOVHGSA-N	600.283	8.793	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OCC	409314877	HNZCSWVRLNMFSW-FDVSRXAVSA-N	606.311	6.361	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1OCC	409325464	YSETZOAETSABFF-RHANQZHGSA-N	539.426	5.764	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)ccc1OC	409331628	DXLXJKLHCAMTOU-WKIKZPBSSA-N	646.741	5.804	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409355356	CFCONMDVNBEVAP-IPBVOBEMSA-N	569.656	6.145	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409356665	GXYHXKHAMZNYOW-XKJRVUDJSA-N	530.253	6.321	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409362117	FRJOBQPJJXJHRN-QDTIIGTASA-N	640.247	5.373	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409371282	FONVTMBPHKCANN-JMIUGGIZSA-N	523.339	6.097	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	409373277	PPYDWUPZGLTZOK-BIZUNTBRSA-N	539.588	6.227	50	40	KKGB	
O=C(NNC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409381746	JKEISDVNPYHOQK-UIOOFZCWSA-N	698.899	5.196	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)c2cccc(F)c2)cc1I	409391666	JIDRSFRQBLTUER-MLPAPPSSSA-N	519.095	5.498	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409395211	LATLRZQAXZKUFJ-UHFFFAOYSA-N	755.847	8.331	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409396006	VBVZLBWYDILSRP-UHFFFAOYSA-N	765.083	9.412	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409396983	DQMVSQOZRITZHD-UHFFFAOYSA-N	656.135	7.458	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409397042	FMEHPZQOTQIMTP-UHFFFAOYSA-N	556.449	7.742	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409398257	RZANIIHUXYRCLB-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1COc1ccc(F)cc1F	649962	QVVZQKODODDIHZ-HHHXNRCGSA-N	514.532	5.573	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)n2-c2ccc(OC)cc2)cc1	2219663	VVAJQDUPTVBQRV-FJEPWZHXSA-N	541.555	5.213	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c(Br)cc1OCc1ccc(F)cc1	4196374	BLIHDUIAHSHUFC-MHDJOFBISA-N	610.549	7.288	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(Cl)cc3)Nc3ccc(Br)cc3[C@@H]2[C@@H]1Cl	6445703	KFXQFKKNORQDIZ-FPVDIDMMSA-N	550.305	8.049	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)cc1	28217142	KLYGVKAINKPAAJ-NSAYQLMESA-N	522.674	5.941	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(Cl)c(Cl)c1	59513188	MAWGEUAAUFHXRO-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	97980603	ZOBBPPHHUKWPDS-VXLYETTFSA-N	608.141	5.916	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1C	100102270	LMRNEVAAIDNACB-RGVLZGJSSA-N	540.255	6.953	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F	100124125	VMCKSBFSWALKCI-ATZGPIRCSA-N	572.584	5.598	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)c(OC)c1	100832932	YGKKZNHZHPKJNU-RWPZCVJISA-N	544.077	5.372	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N\NC(=O)CSc3nc4sc5c(c4c(=O)n3-c3ccc(C)cc3)CCCC5)ccc21	100852578	OUJSXKUMUSGEOG-KMUKQRDJSA-N	605.789	7.005	50	40	KKGB	
CC(/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)=C\c1ccco1	100858589	WZRMMMMDYBZAFI-IBRRLFCRSA-N	523.412	5.039	50	40	KKGB	
Cc1cc(=O)oc2c(C)c(OC(=O)CCCNC(=O)OCc3ccccc3)c(C[C@H](Br)CBr)cc12	101509940	ZLSDXVZSIFAWRU-FQEVSTJZSA-N	609.311	5.723	50	40	KKGB	
CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Br)/C(=C/c2ccccc2Br)C1	101646383	FZPJJSASSSNFHI-XMQQHFNTSA-N	541.287	6.081	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	103577298	DAMAOYQAXMNGLO-OCSSWDANSA-N	562.063	5.008	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(F)cc1	103887861	XJGRWEDJESPXDO-ODLFYWEKSA-N	542.348	5.872	50	40	KKGB	
O=C(CSc1ccccc1C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)Nc1cc(Cl)cc(Cl)c1	150451161	GXIVNRLAXMHRIB-UHFFFAOYSA-N	698.437	6.907	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N	150477667	MCUZMLOKJNEBTQ-VWRJOHBLSA-N	671.701	7.578	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795273	IAPGYSNDNDIXDV-OLQVQODUSA-N	774.006	9.090	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408544400	VWPLTQCWGCALHV-QNKGDIEWSA-N	521.617	5.817	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc(Br)cc2)cc1	408579368	GHRVQTMVLXBPBN-LICLKQGHSA-N	612.137	7.114	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408585200	CTZXLPAYMXYTDB-SOFYXZRVSA-N	513.635	8.605	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	408603954	HVANOFCJVQQTLL-HSZRJFAPSA-N	547.980	5.593	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408615586	QXFYQMISJNMYTE-MZJWZYIUSA-N	514.807	5.333	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1	408637901	NWPRFOVBQVMOOA-AYWVHJORSA-N	572.032	7.062	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408639838	GIUTXKKYMKMQAI-RCZSKKKRSA-N	517.384	5.058	50	40	KKGB	
O=C(O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408671250	KGAHRVLMSVZFPH-XNMGPUDCSA-N	642.289	7.698	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccc(Br)cc1	408677907	VUGOUBYRHDUMTL-MUFRIFMGSA-N	587.312	6.163	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl	408718474	ZMHSVMIPPHGJMG-LGJNPRDNSA-N	506.183	5.668	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408726013	OMRIIKDPTGMTLQ-FJCNKBRKSA-N	683.155	7.058	50	40	KKGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	408737743	GGKIXJAOEKHZQR-BRJLIKDPSA-N	518.364	5.318	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408743991	DADJDCPFWZQDBL-STZFKDTASA-N	517.810	7.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OCc1cccc2ccccc12	408749712	SBWPLUXPSXPPDE-OKCVXOCRSA-N	676.292	6.791	50	40	KKGB	
N#C/C(=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccccc1I	408764346	MJTIJRFLHCKXCY-PYCFMQQDSA-N	594.408	7.362	50	40	KKGB	
COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408787297	WTXVXGPEIJCSGF-UHFFFAOYSA-N	543.730	5.984	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1C	408791921	FITQTQZDLBZUMT-VXLYETTFSA-N	713.151	7.400	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1	408794419	IHZHXMXJMMUZIF-CAOOACKPSA-N	780.569	7.587	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408797882	UDVJJFUFFARLCW-REZTVBANSA-N	627.693	7.693	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc(C)c1	408815890	VSYMZIZGSIEDFY-HMAPJEAMSA-N	505.387	6.750	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccccc1	408825521	AUGYEGLAKFCLIT-FDAWAROLSA-N	609.546	5.519	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408826962	DVMMBPCHUNJFKR-JEPNHJGPSA-N	664.622	6.814	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408835643	YWULLZQJZRNWDN-CVKSISIWSA-N	676.405	8.541	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccccc1C#N	408838820	IWKUSGAXCICLMM-XZYGTATASA-N	573.678	7.085	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(Cl)cc1	408841266	FBMCTNWESXBNGT-KVAAJVFYSA-N	603.531	8.212	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1	408847012	SFEPHONZGMLKQV-VTNSRFBWSA-N	635.312	6.755	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408848739	SXTQCQHVBMSFTG-MNDYBZJGSA-N	509.389	6.820	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1	408853506	OWGQWDPTVNWJAE-OJYCWLPVSA-N	582.473	7.697	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408859830	TZGBZOZJUIGGLP-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	408861257	AZTNRRUGKPGQQX-VBAOPZSKSA-N	639.561	5.595	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1OC	408862052	WSRDZRZYKVTEEH-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408862536	FUDFGVVCJPOFQK-DPNNOFEESA-N	640.531	5.830	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cc(C)cc(C)c1	408882775	QTMGKZCIGTWICX-SRZZPIQSSA-N	597.409	6.340	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(C)cc1	408884635	XXVWGRQVNYFYIQ-KKMKTNMSSA-N	569.226	6.258	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408887941	VDVMHIOELZQICX-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408892505	BYRKYRPBWHOCCU-CPNJWEJPSA-N	561.819	7.029	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C)cc2)c(Br)c1	408940415	CIUSNOZOVGYSPY-NDEPHWFRSA-N	730.479	5.984	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl)Nc1ccc(F)cc1	408948245	QYRCWHOZQSLWEC-NVJOKUIPSA-N	544.764	5.769	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)OC	408969964	XVQONGGCKXLFOW-UBBMEKCPSA-N	695.394	5.352	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)/C=C/c2ccccc2)c1	408995219	AYRONANWKCDBED-FOALMQPLSA-N	503.558	5.630	50	40	KKGB	
CCOc1cc(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1O	409011794	HSHMDHCTUSCPML-GZIVZEMBSA-N	608.024	5.431	50	40	KKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)COc2ccc(Br)cc2Br)cc1Cl	409013715	NPVIDBZYEKYJQR-XNIDKHOESA-N	518.633	5.571	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CSc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020562	QPMZGPMQGKQASK-DBSPGSINSA-N	627.807	6.822	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409021539	MOGGOSLPFSVDKF-CPDSRJINSA-N	584.854	6.337	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1	409044661	WNJGEKTTWXYDBQ-WOJGMQOQSA-N	520.929	5.210	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)Cc2ccc(Br)cc2)cc1	409119685	UCBIDXXWAFIWLB-ZCTHSVRISA-N	592.515	5.891	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)c1ccc2c(c1)COC2	409129181	RAWBXJDXYMWNCY-UHFFFAOYSA-N	544.199	5.225	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(C)cc1	409139065	LYGQYAIDSOUCHC-DEOSSOPVSA-N	569.443	5.307	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1Cl	409153742	DYUUSOAEAHYXBT-VFLNYLIXSA-N	571.859	5.134	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1	409185809	QMZCDVDFQWBRHD-MTDXEUNCSA-N	558.498	5.282	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)Nc1ccc(F)cc1	409187172	NAGJMMPDSIDCHQ-BOPFTXTBSA-N	530.191	6.475	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc(F)c4)c(I)c3)cc2c1	409188278	YFMMXDJDKSQDOG-MUXKCCDJSA-N	558.347	5.918	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409211125	KWXPDUZIOSEVOE-UVHMKAGCSA-N	578.872	6.231	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)/C=C/c1ccccc1	409218094	CQICQFQRBIOISO-XQDQVUENSA-N	533.584	5.720	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409218751	KHZVOGUWBPGGJM-UHFFFAOYSA-N	655.255	5.769	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1	409223027	FYCCAKVGKAPJSQ-MZFJOGFUSA-N	525.992	5.813	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409225155	PDJAXQPDFZUQLD-RYQLKUCFSA-N	737.317	6.663	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c2)cc1	409227214	YBTXMFXIAMOSDT-UHFFFAOYSA-N	616.424	5.422	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)n1	409230632	DPXRJHJQFSBQKS-LUOAPIJWSA-N	544.862	5.202	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409248254	DCDAHLWJCMOBLB-VXLYETTFSA-N	570.827	6.800	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1Cl	409268927	ZTKQIPFYUISGCB-ZRGSRPPYSA-N	545.777	5.101	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)cc1OCC	409310047	PPFDDLLJCBRHBP-MNDYBZJGSA-N	624.757	7.395	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	409310834	WWKHHCYNMYHWAS-YKQZZPSBSA-N	551.020	5.459	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Cl)c2)CC(=O)N1	409313093	BDQVWVWKHGGOFN-KRWDZBQOSA-N	548.890	5.693	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl	409360383	FBTYIEDEOGCTHK-LGJNPRDNSA-N	534.781	5.605	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c1	409363540	MFVQJIZSKUDRCZ-ACXHZZMFSA-N	674.320	6.938	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCC(=O)Nc1ccccc1	409373762	UMJMJAXZTXYHSF-KBVAKVRCSA-N	623.447	5.633	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)cc1OCC	409396831	BSDXMRUIRDRBNB-UHFFFAOYSA-N	561.638	6.924	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1	409396847	BWLZILSTIHBEQX-UHFFFAOYSA-N	526.980	6.130	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)cc1	409397000	DWNLTGZFHOKIAK-UHFFFAOYSA-N	575.974	7.799	50	40	KKGB	
C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](OC(=O)c3ccco3)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl	504703308	MJDGUHJEIVTMQZ-NQPWZQECSA-N	615.506	6.327	50	40	KKGB	
COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1c(Cl)cccc1Cl	1782627	SSGKWBHOBWJMCN-FQEVSTJZSA-N	549.454	7.166	50	40	KKGB	
COP(=S)(OC)Oc1nc(SCc2ccc(C(F)(F)F)cc2)nc(C)c1Oc1ccc(F)cc1	2154490	UZFHOSFSNXFSAY-UHFFFAOYSA-N	534.493	6.924	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1	2222425	IDFMXLHCZFGKRC-STBIYBPSSA-N	532.691	5.357	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(F)cc1	13882007	WQJSOYDVILXFGC-UGGDBLJYSA-N	523.037	5.693	50	40	KKGB	
CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(OC)c(COc2ccc(C)cc2[N+](=O)[O-])c1	20169096	TUIPWEMLOLSONB-LDADJPATSA-N	521.551	5.275	50	40	KKGB	
COc1cc(OC)c(OC)cc1/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1	32576871	IYCZMOIUGTTZGJ-MUXKCCDJSA-N	525.030	5.006	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)c(C)c1	58915001	CQKPJUBZMXEGGW-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H]3C[C@H]4[C@@H](CC[C@H]5C(Cl)(Cl)[C@@H](Cl)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	70664984	ODWXWMUBXIPATR-USXAOKSVSA-N	502.998	6.738	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12	97962927	FICOENFEIDDODW-XZYGTATASA-N	526.514	6.924	50	40	KKGB	
O=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	97964213	IFCZQIYQKPAEAQ-MMHSCDMJSA-N	567.989	6.111	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3c(C)cccc3C)=C(C)N2)cc1	98048635	SIFBGLREBOFQEA-SANMLTNESA-N	528.634	5.612	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1)S(=O)(=O)c1ccccc1	100087871	IQXMEHCZWYIUOL-FMFFXOCNSA-N	576.118	6.595	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc2ccccc12	100398246	JVBCGGWYULSORL-APTWKGOFSA-N	601.084	5.566	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	100859185	DRIWEMSAXUEXRZ-KCSSXMTESA-N	555.059	5.861	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	102808562	NUGCYCJTINLWSD-MUUNZHRXSA-N	543.092	6.663	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1	102808899	NZASEWANWNJFIZ-MUUNZHRXSA-N	557.119	6.917	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	105226591	KOHBHALNFJDPAC-XDHOZWIPSA-N	530.249	7.443	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c(C(=O)OCC)c1C	110223725	LHLISAYJCBFZAE-WSDLNYQXSA-N	621.509	6.342	50	40	KKGB	
CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341404	WOMWXWJECJHRES-VIFPVBQESA-N	922.236	12.727	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341847	VRLWJBODVUOCAK-IBGZPJMESA-N	1012.500	15.992	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)C(I)I)CC[C@]4(C)[C@H]3CC[C@@]21C	150544361	JZAGLOUEHFUBBB-FVLYTVTASA-N	680.493	9.136	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550723	GWPAYKOJZUBRTQ-CXUHLZMHSA-N	560.821	6.314	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408570477	VRAPIPMEBKFUEP-OKCVXOCRSA-N	557.137	6.634	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2c(Cl)cccc2Cl)cc1	408611219	QGXFYBPOVYWXSQ-CCVNUDIWSA-N	500.382	5.232	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408668752	DZXUFPZEBYQZIJ-WCVJEAGWSA-N	554.666	5.327	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408689829	ZFDSGYXHIKYPKS-TVFCKZIOSA-N	634.108	5.381	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)c1	408747041	YHIXFRPFAJHHDV-ODLFYWEKSA-N	541.829	6.634	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408747358	MVDJGUFCUNCXDV-FDAWAROLSA-N	688.303	5.861	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3I)cc2Br)cc1	408755576	OOVGRMQLMSCEJT-ATVHPVEESA-N	623.266	5.676	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408763561	IUWYXEJHSSBSEA-PXNMLYILSA-N	669.993	7.861	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408776609	XBHZYTGKKSUYEJ-MFOYZWKCSA-N	580.693	7.933	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1OCc1ccc(C)cc1	408779433	DWOMJTZTEZBCJY-JLPGSUDCSA-N	562.508	7.127	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408794889	JMPTYLKPJMMTHA-SRZZPIQSSA-N	535.394	5.897	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1	408802800	HPMYLKIXDZYRPE-VCHYOVAHSA-N	546.248	7.279	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1	408812239	OALIHHPHGPZUMD-RHLNUJDMSA-N	540.255	6.575	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OC	408823210	NDUKDXZJYZANFM-WOJGMQOQSA-N	574.802	6.086	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1	408829356	PFIQADBYHRSHLZ-OKCVXOCRSA-N	602.551	5.385	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	408830616	GGDWSZVYYZOIKU-UYRXBGFRSA-N	668.908	8.195	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408833153	ZJKISBGGBJWPHB-ODQASSKESA-N	739.903	7.959	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	408840790	FYBUXOLPSGCWIW-RVDKCFQWSA-N	658.327	8.247	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c1C	408842554	OPBHIZLKOFCZHQ-VVEOGCPPSA-N	556.570	6.222	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccccc1	408846593	UAXZOKYWPCLXML-XZYGTATASA-N	641.591	8.366	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1	408858904	RIFLFIUHLWMUEH-GLJXUZQSSA-N	591.542	8.835	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)ccc1OCc1cccc(Cl)c1	408861722	CAXAGZKWJQCYDW-JEPNHJGPSA-N	620.171	6.665	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl	408862110	IGTWAIARQGYMPV-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	408885656	DMYPCQWYEWFPAQ-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2ccccc2)c([N+](=O)[O-])c1	408888334	ZFTYGFCLIPDHPX-LDADJPATSA-N	506.312	5.431	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1	408958617	ZNJHBNZJORZLKB-SVYXRYDESA-N	778.600	5.761	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408963537	FHZBNEAYDUWFAG-HMWQJCLQSA-N	665.368	5.343	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1	408964459	CMRHZZZLAYGXSI-MNBJERMJSA-N	510.546	5.169	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(I)cc1	408981430	BEHDNFDEUNNDLP-GRSHGNNSSA-N	698.726	7.381	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)c1ccccc1	408994289	YZZDFZPYUPUVRX-CPUXBYDOSA-N	539.595	5.276	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccccc1C#N	409016251	QOUMHCUEDAZCFY-CPDSRJINSA-N	552.812	6.462	50	40	KKGB	
CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1	409041453	AEEDNZOUFSTSFR-XNTDXEJSSA-N	508.210	5.945	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1	409049711	XXSIKHSSFYGYCC-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(F)cccc1Cl	409060129	TUWREQSOPONVHH-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
Cc1[nH]nc2c1[C@H](c1cc(I)c(OCc3ccc(Br)cc3)c(I)c1)C(C#N)=C(N)O2	409129934	HTIMDYDVCQGJBZ-GOSISDBHSA-N	689.089	5.487	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1cc([N+](=O)[O-])ccc1O	409145552	ONDIFLJRFCIWIM-KVMWAIAHSA-N	608.610	5.420	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)[C@@H](O)c1ccccc1	409146076	QXMGPWIENFTUSR-HTHFWCIQSA-N	646.650	5.312	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(Cl)c1	409148992	VOGNXKGHSCXUBU-ZSNJKBEMSA-N	698.194	5.698	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1ccc(I)cc1	409186728	HAVWVWQOTODYRP-CAQPMQTCSA-N	624.475	6.906	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Br)c3)cc2c1	409191145	ZXYCOSFELFQXIO-FDVSRXAVSA-N	550.409	5.684	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c2)cc1OCC	409222072	AGRSTKAERMDEHB-UHFFFAOYSA-N	620.456	6.075	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1	409230538	FGZLFFYXOYRENF-KIBLKLHPSA-N	520.398	5.130	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(I)cc(I)c1OCc1ccccc1C#N)c1ccccc1	409238323	MVENQURJCCBEMP-SXOHWRJOSA-N	659.265	6.131	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1C	409251179	ORXGXRPYNFSQPB-MOSHPQCFSA-N	504.384	5.629	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(I)c1OCc1ccc(Br)cc1	409254505	DXLREKXMVLWNSE-VFLNYLIXSA-N	734.170	6.198	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	409256816	NOADOZXXXFZUMU-LICLKQGHSA-N	587.243	6.222	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409259777	FEOIOPFHAQXJTN-MOSHPQCFSA-N	534.410	5.638	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409263569	HUBGPTKWRMIGIA-GZOLSELCSA-N	576.491	5.659	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1	409263799	MRGQUJAFMGTCRD-PDGQHHTCSA-N	524.802	5.974	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1OCC	409324840	VVLVKIOVWCHUMZ-OHUYPAJKSA-N	638.356	7.671	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SCCS1	409359328	BKXGHGFAOJVWAU-FSJBWODESA-N	638.334	5.511	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	409370425	QONMNBUNRXRLKE-SXGWCWSVSA-N	518.194	6.586	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br	409373265	GJMDWSMIMDKCKO-MLPAPPSSSA-N	505.166	5.012	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409394583	CLRZYRKWQQHZHZ-UHFFFAOYSA-N	661.350	7.742	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409395444	NQGACJKSKDSMSN-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc(Cl)cc2[N+](=O)[O-])cc1	409405641	UEQPSLOUHZGOMI-VHFSBPNMSA-N	656.095	6.918	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1O[C@@H](C)CC	409405971	VNERNHKOEYVKRE-ZBLBMXTLSA-N	655.533	7.211	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccccc1Cl	409406810	CTILUKBAJQUDPH-UHFFFAOYSA-N	524.920	5.727	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1	409407202	ZBMBBUVGVPTXBL-UHFFFAOYSA-N	549.627	6.618	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc4c(c3)OCO4)o2)cc1	409408821	LTIGFFFDXTUYSG-QMRORBIVSA-N	612.038	6.631	50	40	KKGB	
COc1cc(OC)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409409798	RHVRUWBDTJFTSB-FDVSRXAVSA-N	552.425	5.810	50	40	KKGB	
CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1	1762848	DQWYBWAYZCTZPX-JVWAILMASA-N	536.455	5.338	50	40	KKGB	
Cc1ccc2cc(/C=N/NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)c(Cl)nc2c1	2447859	KEJJFNVGTQLPDV-GISVKQOSSA-N	506.006	5.264	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccc(NC(=O)c2ccc(F)cc2)c1	3085904	CIPJBKARKPBWOS-OPEKNORGSA-N	535.167	5.073	50	40	KKGB	
CCn1c2ccccc2c2cc(NC(=O)CSSCC(=O)Nc3ccc4c(c3)c3ccccc3n4CC)ccc21	3228710	BHLPWITZZNUCJK-UHFFFAOYSA-N	566.752	7.901	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	4728367	SPAZGYDSBOFKIF-MHZLTWQESA-N	528.634	5.693	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1	8665788	GQHXMIUCYRPUHP-NOKXCCNCSA-N	508.542	5.412	50	40	KKGB	
C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1	8861302	DFTWNMPZYUAKMT-UXHLAJHPSA-N	516.395	5.967	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1	8873419	JDRKTIDCNAVYQJ-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccccc1Cl	9056570	ODZUDZKNXGLRCG-HMMYKYKNSA-N	517.810	7.380	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1	9076112	KTNQQXOCTZBABK-MZJWZYIUSA-N	512.422	5.492	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)cn1	33355009	ZXYJQBFIXKOQDT-RAWMCFOBSA-N	535.167	5.037	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccc(C)cc1	59884631	ILQOUZLTUPNRCG-PPOKSSTKSA-N	605.116	5.645	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	100062207	DKHVIKQQYAJBFW-LUOAPIJWSA-N	571.096	7.170	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3cccc(Br)c3)c2C)cc1	100100677	JXTWYCGHOAMPLK-RPPGKUMJSA-N	549.332	6.311	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C(C)(C)C)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	100858827	RTNMHRMMCZRCQT-LJUMEUDFSA-N	544.746	6.174	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccc(Br)c3)nnc2-c2ccccc2)cc1	100889203	CGUUZQVAHWCJNV-VEILYXNESA-N	550.482	5.728	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	100952650	ZXRUPYXPCBTORB-XSFVSMFZSA-N	528.362	6.635	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	102810020	VHBRGVAAXXCEJS-LJAQVGFWSA-N	554.691	6.766	50	40	KKGB	
CCOC(=O)/C(NC(=O)c1ccccc1)=C(\Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102921155	XTTGFOAIYWNMTR-DQSJHHFOSA-O	514.969	5.382	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889385	XYORPMFKAKHGMP-CHHVJCJISA-N	599.081	7.782	50	40	KKGB	
Cc1ccc(/C=C\C(=N\NC(=O)N/N=C(\C=C/c2ccc(C)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1	104305943	YDXSFKJPBVDNEE-UUFASJHCSA-N	624.918	8.065	50	40	KKGB	
CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341533	AADZLGYJPDEXJB-LBPRGKRZSA-N	764.289	11.356	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341888	XJPQGZABMPIYRI-HXUWFJFHSA-N	1026.530	16.382	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)cc2Br)ccc1OCc1ccccc1	408540036	MCBUTJCGVZWZJL-HTVDVWKISA-N	692.326	8.161	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(C#N)c1C	408546356	HZVPGBDVUVPHSS-RIYZIHGNSA-N	509.927	5.645	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1O[C@@H](C)CC	408552153	HRIPARYIANQNCD-ADFUCPMPSA-N	528.472	6.383	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	408583516	VINKYQOSFGHMNC-VCHYOVAHSA-N	533.647	7.517	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)CC2=O)cc1	408606394	LUYVAWLSEAILDF-QGZVFWFLSA-N	530.408	5.086	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)c1	408639211	WLNLTCIJQSFLJF-AJTFRIOCSA-N	552.042	6.826	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408640765	IRQJOQCCFNCCBE-KIHHCIJBSA-N	737.228	6.375	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1	408682194	KFDFPLBITDELQK-IXCJQBJRSA-N	542.429	6.792	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(Br)c1OCc1ccccc1	408743011	YJDPWJQHUGJHBP-VTNSRFBWSA-N	580.910	7.252	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCc1ccc(Br)cc1	408744498	LRFSCUDNFFUVPK-JLPGSUDCSA-N	531.450	7.009	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OCc1cccc2ccccc12	408759171	ZCBWMTAMQSVXGP-FJEPWZHXSA-N	575.488	6.309	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408759673	JIYTVDGJORRNHU-JAIQZWGSSA-N	582.281	8.042	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)c1	408763806	OYTQAQYMNSSJSP-XMHGGMMESA-N	520.383	5.411	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1C	408787576	CAJISASPNGDMTB-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408789193	OKVNDMKGGFAMAK-VCHYOVAHSA-N	538.354	5.586	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408794807	JGOGWJBJLNMBOW-LPYMAVHISA-N	504.970	5.958	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(C)c(C)c1	408813417	NWUKDXRESIDZEG-ZMOGYAJESA-N	580.466	7.048	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OCc2ccc(Cl)cc2Cl)c1	408824121	HCEUMSBYOCTLLE-OEAKJJBVSA-N	593.894	8.359	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408829402	FWGMURBVNDSRBT-MFKUBSTISA-N	664.927	7.965	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408838556	XWBJLBFVAHUYSO-KPRPFPDJSA-N	836.172	7.002	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408840679	ZTWTVIQBTMGLFL-LQKURTRISA-N	532.350	5.278	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccccc3)cc2)c1	408842086	IKWYWOUAEREANH-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5)c(Br)c4)cc3)cs2)cc1	408848255	VETRWZIRNBRYHA-DPNNOFEESA-N	597.538	7.968	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	408851716	FKHIKTJBBVJYPY-MNBJERMJSA-N	524.964	7.038	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1C	408854535	HSZQAMGTGGONKM-ZXSNDDASSA-N	500.646	7.241	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408864990	AZZCOFTYKSNWDE-YQCHCMBFSA-N	568.699	5.600	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccc(I)cc1	408874647	CZTOEDHKVCECFH-SRZZPIQSSA-N	632.882	6.163	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1Cc1ccccc1Br	408879663	CIFRNANRVYSAJI-LICLKQGHSA-N	560.673	7.010	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OC	408880585	JYCVRDNIMORKQV-NTUHNPAUSA-N	516.257	5.263	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OCC	408885794	AVJMXRDREQGKMS-RIYZIHGNSA-N	634.106	6.468	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	408900401	VMXQHVMBSGKMNX-RGVLZGJSSA-N	529.356	7.209	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c(C)c1	408905461	ALLQRNJSGCCFDV-OCSSWDANSA-N	520.427	5.690	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408923426	ILBQWTHHWLKSQI-CXUHLZMHSA-N	594.860	5.927	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(F)cc1	408925681	STFUONJXOYFYOA-YBFXNURJSA-N	539.357	5.810	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1C	408943614	HXAJTSSIXAUDSS-UMSFTDKQSA-N	724.909	6.172	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)c(F)c1	408965121	GHLZJVQEBIZDLY-IPBVOBEMSA-N	751.075	5.854	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC	408972465	UBOYXXHHEBJFNI-SFSOYJNDSA-N	637.358	5.808	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1	408974661	GHFFKUSQJKVROL-XBQJKBNESA-N	539.635	6.800	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1F	408983616	MWFLYXCHWFBAGU-YBFXNURJSA-N	543.820	7.073	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408999695	SBBQYFDAOJHTML-APTWKGOFSA-N	508.021	7.244	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1	409010568	CDJSQDDPHHZZHW-CBESOTNSSA-N	618.315	5.303	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OCC#N	409010655	DBDPOBNEVFHQFD-OXSBMPDRSA-N	597.499	5.331	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl	409057936	LXZWJIAIGPICHS-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409072343	JRXJSZREIFJDKR-HZHRSRAPSA-N	500.526	5.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409087259	XZFITFNZAZDERG-OQLLNIDSSA-N	506.858	6.553	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl	409186565	DVAFKMDIEAIKPQ-SXGWCWSVSA-N	581.091	7.643	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3cccc(C(F)(F)F)c3)cc2)c1	409224876	NMKUEWUPCGMMLG-DLCNMLRHSA-N	590.514	6.157	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409237609	AJAXZCDSAFQBBX-UCQKPKSFSA-N	549.421	5.391	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409253811	BZOODKDCMLUYCB-CIAFOILYSA-N	534.410	5.007	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409258597	YFCKJRVAADKDFQ-UUYOSTAYSA-N	562.464	6.255	50	40	KKGB	
Cc1c(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409259924	HUOLUIUOGDMNKB-VVEOGCPPSA-N	591.280	6.472	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)ccc1OCc1ccccc1	409261325	ABPNCAXNRAWKQT-OJYCWLPVSA-N	581.669	6.071	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)c1	409264418	LHJQFOMEHUIWMS-VCHYOVAHSA-N	512.368	6.313	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br)Nc1ccccc1	409264668	OZYZHTULMFIHLN-QNVXDBMFSA-N	739.877	8.514	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409267958	XFXWBMKVKQCHRO-UNOMPAQXSA-N	524.404	6.264	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)ccc4OCC(=O)Nc4ccc(C)c(C)c4)cc3)cs2)cc1	409271333	UYESGQFRXHXONI-VHFSBPNMSA-N	668.617	8.023	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)ccc1OC	409300701	ADZAINUJNKHVSZ-FDVSRXAVSA-N	500.954	5.628	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)ccc1OCc1ccccc1	409302362	IKRYJDSYUCIJSW-CLHYIUPASA-N	688.416	8.685	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)ccc1OC	409316917	RQESLYZCAGHBJS-MUXKCCDJSA-N	560.832	5.291	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1OCC	409321816	UXNJNZUPUZHBIG-MIXAMLLLSA-N	603.491	5.343	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(Cl)cc1	409341687	FISCEECOEQOCSN-MFOYZWKCSA-N	632.066	7.846	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1	409368375	SEOYTFTXXNNEIX-QNKGDIEWSA-N	543.583	6.442	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1cccc(C(=O)O)c1	409371692	KCZFPCXLSCWETO-ODLFYWEKSA-N	543.332	6.170	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409373815	UWNBJUWKGACYNV-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2F)cc1	409382245	MEFUOSGGDGHUFX-QGOAFFKASA-N	538.373	5.550	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409394948	HYPMTESEBKEXBE-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccccc1Cl	409395116	KBQOSRUAEHUWID-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409395838	SHWZEGOKWDRNGE-UHFFFAOYSA-N	701.788	8.558	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl	409395888	SWIZYEKGGNGHPW-UHFFFAOYSA-N	785.103	9.965	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397080	FYYOLXAUIIIFMF-UHFFFAOYSA-N	606.893	8.177	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1O[C@@H](C)C(=O)OCC	409401061	GEZPXJBOXCHMCG-XNRNSLEYSA-N	613.711	6.488	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)o2)cc1	409403502	NGCYVDPQJNDGBS-QMRORBIVSA-N	677.939	7.933	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OCc2cccc3ccccc23)c1	1529547426	LBGNQQPLADBCLS-RUWBHFIDSA-N	608.720	5.304	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1	1529548128	AFAATHFVJAUCBO-LAXCASJBSA-N	672.001	5.567	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC(C)=C2C(=O)Nc2ccccc2)cc1	1296600	ANZLQQULVBCAGC-GDLZYMKVSA-N	538.673	6.100	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccc(-c2nc(Cc3ccccc3)sc2C)cc1	1703353	RIRLJZQWSSVNQB-UZWMFBFFSA-N	522.545	8.052	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3OC)nnc2-c2ccccc2)cc1	1762078	CVQJHMSGQOIIKN-LMSZYOFQSA-N	513.623	5.249	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	1769553	WFXPHFIFTLBPPE-QGOAFFKASA-N	531.521	6.445	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1c2ccccc2cc2ccccc12	2705774	YDUSVZKVGKUKEQ-DPNNOFEESA-N	593.506	6.697	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	3232299	AVDGOBMRVIIJBO-SXGWCWSVSA-N	525.741	7.790	50	40	KKGB	
CC(C)(C)/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)[C@@H](SSc1ccccc1)Sc1ccccc1	4265443	KOQKBVRKOGYFRV-DXWZWODXSA-N	542.022	10.020	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	6093552	OYTJDTFVTILRSF-GHRIWEEISA-N	539.495	5.102	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1CSc1ccccn1	8399512	CJYHKFAUFKTNTO-KBVAKVRCSA-N	562.489	6.488	50	40	KKGB	
N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc(Cl)ccc2o1	8875117	CIWOVVRZSNOMIU-XODNFHPESA-N	508.759	6.063	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(CC)cc3)N(c3ccccc3)C2=O)cc1	9432111	KRZFPNQAJZXFMC-VOUPIIBTSA-N	525.630	5.491	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1	59105138	XVFVJEGNRWOADM-UQQQWYQISA-N	506.562	5.649	50	40	KKGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC	59474991	NNFZKHOXMRXWGB-WQRHYEAKSA-N	504.368	5.641	50	40	KKGB	
Cc1nc(SCC2=C(C(=O)OC(C)C)[C@H](c3ccccc3I)C(C#N)=C(N)O2)c(C#N)c(C)c1C	97940195	PSAQLMPQSVINEN-JOCHJYFZSA-N	600.482	5.289	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	98001671	KFUBJPJRPSXFTP-LUOAPIJWSA-N	601.078	6.267	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)c1	100100079	UYUUYKHQHWYGKG-FABQOPTDSA-N	569.547	6.796	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Cl)c(Cl)c3)nnc2-c2ccc(C)cc2)cc1	100837868	LBAIKUIVFBDDSE-RHANQZHGSA-N	540.476	6.191	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1	100853744	RGFMMVIUJVXCPL-RGXNXFOYSA-N	539.064	6.282	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccc(F)cc1	102230209	ORWVSBRRAISZQT-LZYBPNLTSA-N	607.763	6.125	50	40	KKGB	
C/C(=N\NC(=O)CCC(=O)N/N=C(\C)c1cccc(NC(=O)C2CCCCC2)c1)c1cccc(NC(=O)C2CCCCC2)c1	102248546	ISKPNFMECZHCER-DNJOOXRZSA-N	600.764	5.885	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	102817064	YOMGPPUPWHWBGC-UHFFFAOYSA-N	565.092	5.469	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OCc1ccc(Br)cc1	102932918	VIUAIMKFOWPWBK-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2n[nH]/c(=N\C(=O)c3ccccc3)s2)cc(Cl)c1OCc1cccc2ccccc12	103122769	OAKQBLRYJIZWBM-BUVRLJJBSA-N	567.070	7.061	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(Br)cc1	103882669	MICAZBDCURSZIV-XHPQRKPJSA-N	572.503	6.021	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC	103890523	ZRCVRBUXZCZWCW-ZSOIEALJSA-N	542.213	5.642	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1	103894587	KGUISJKIUXNMBX-UVHMKAGCSA-N	533.875	6.074	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1	104766565	DAKUOEYGIJWGQJ-FMFFXOCNSA-N	556.018	5.903	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)c(C#N)c1C	105557757	QBDHZIOZBCNOIL-ZVHZXABRSA-N	550.636	6.564	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCc1cccc2ccccc12	112264740	UGJUHBZXBNXNHW-KBVAKVRCSA-N	578.450	6.342	50	40	KKGB	
BrCc1ccc(-c2cc(-c3ccc(CBr)cc3)c(-c3ccc(CBr)cc3)cc2-c2ccc(CBr)cc2)cc1	150637988	KMXPXZNPXOGVRP-UHFFFAOYSA-N	754.198	11.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408536738	AUFGGCJZIMYDIL-RDRPBHBLSA-N	548.639	6.475	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OCC)c2)cc1	408537707	GYLUWFOHDVRDEP-WPWMEQJKSA-N	657.561	7.959	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408543100	OWLDMWMABJDGTJ-IDUWFGFVSA-N	576.230	6.587	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408551094	BBZKUFKONIQKNY-BVMLUPFRSA-N	607.332	6.889	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1	408551729	MFADEQCWHQXRTI-WQRHYEAKSA-N	524.360	5.343	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552566	QWWAKBGNLILQAD-YNFMAFFXSA-N	569.470	6.215	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3cc(Br)ccc3OCc3ccccc3)CC2=O)cc1	408601155	AEZCTAIXXVULLP-FQEVSTJZSA-N	508.416	5.087	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408645485	SIWVDNSBNZTQNS-SSTJLMRISA-N	679.620	6.153	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408688717	WZGUJGVPYYATGV-YZEAIEHJSA-N	635.567	5.982	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c1	408710597	PCTMJLMUZKKCEB-LGJNPRDNSA-N	548.231	5.572	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1	408724222	IEQDIMCCTMJFMY-AUGOTPMTSA-N	548.646	7.549	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c1	408747100	ZNAORFXBZNDNIH-ZDLGFXPLSA-N	593.248	7.121	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCc1cccc(C)c1	408747829	UIPDZYCYPSDDQU-JFLMPSFJSA-N	544.389	5.350	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2cccc(Cl)c2C)cc1	408770837	AIWRFVYXDSPESK-MUFRIFMGSA-N	522.026	5.161	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408776236	XIDCSTWFTGLRBL-XHPQRKPJSA-N	599.472	6.279	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1ccc(Cl)cc1	408789757	KYEFCBYIUNEBPR-GZTJUZNOSA-N	593.646	6.832	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408795010	JVMIFDPOKNHFPG-RQZCQDPDSA-N	625.144	8.042	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(I)cc1	408797419	RJOKLCHQGZJGEC-XDHOZWIPSA-N	650.254	6.419	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1	408797991	USXTZALJYCFDQR-KEBDBYFISA-N	598.238	6.358	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408798451	IIZOCDOVKSBGSY-OEAKJJBVSA-N	585.454	6.831	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408804419	FTXGJSWWIJALJQ-PXLXIMEGSA-N	582.438	6.603	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408826678	KMBDBBYKDLKFIG-XPGZBYHPSA-N	698.867	5.671	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408831309	PWPKEBSCHAAMAV-VQWGYEAZSA-N	783.528	8.512	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408834312	UILBUVMKDYXOPF-HZQMBONKSA-N	733.312	6.325	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)Nc1cccc(Cl)c1	408837825	OHZIMQYMVVHLKG-GUBAARJWSA-N	653.160	6.517	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	408841837	HWIMZPMZKOIPQL-IPBVOBEMSA-N	549.918	6.420	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408861295	BPJWAPYXWOGTPI-KEIPNQJHSA-N	614.724	5.065	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408866033	FKKYOFKPBATHMS-VYVUJPJFSA-N	607.115	7.179	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1Cc1cccc(F)c1	408876917	OTWVSVKPPWQJFF-DJKKODMXSA-N	527.821	7.085	50	40	KKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1c(Br)cc(C)cc1Br	408880424	JTUASMSFTOJUEX-MDWZMJQESA-N	543.053	6.227	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1Cc1cc(C)cc(C)c1	408882859	PEROSVINSRVLFW-SRZZPIQSSA-N	523.858	7.255	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OS(=O)(=O)c1ccccc1	408887455	ONVADQULNVITLS-DTQAZKPQSA-N	503.363	5.315	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1Br	408888807	AZORJBIGEJUNAL-WOJGMQOQSA-N	589.227	6.187	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1	408891514	RTAYZPSFANOFJB-LDADJPATSA-N	540.211	6.285	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2Br)ccc2ccccc12	408892404	BAACIBGWZRKCCG-KGENOOAVSA-N	531.837	7.689	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1	408897438	SCYGSZUTSBPWOW-VCHYOVAHSA-N	556.800	6.534	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OC(=O)c1ccc(C)cc1	408897583	YOVLNVLYYXPQDV-XDHOZWIPSA-N	538.341	5.373	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	408907619	OCDBQQOLRHHOGG-KIZAIXKYSA-N	680.337	5.449	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c(C)n1-c1cccc(Cl)c1	408926748	YCGKUZUZCUPQNZ-GZTJUZNOSA-N	501.755	5.898	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Br)cc1	408943695	LUPBROZKWHYKLG-VYYCAZPPSA-N	506.356	5.285	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cccc(C(F)(F)F)c1	408963510	OEGWDPJWKSPZFG-IBBHUPRXSA-N	527.340	6.964	50	40	KKGB	
COc1cc(/C=N/NC(=O)NC2CCCCC2)cc(Cl)c1OCCOc1ccc(Br)cc1	408969357	MONTXLBUOMXYNG-CVKSISIWSA-N	524.843	5.535	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC(C)C	408974063	WQRCUDLLXDYUBZ-IUOTYRICSA-N	679.439	6.835	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409002531	OICGLFQLDJJTMC-JEPNHJGPSA-N	611.651	5.655	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccco1	409002561	ORBAGUJFPIGWBR-AMVVHIIESA-N	601.240	6.584	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409008774	GUCWBABPQCHKBL-WAYXKRTKSA-N	678.528	7.848	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc1	409011016	FJXHKBWUCPNRDK-RPPGKUMJSA-N	561.230	5.007	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)c(I)c1)c1cc2cc(Br)cc(I)c2o1	409018355	WNWMMOQJJDSMRF-IPBVOBEMSA-N	719.086	6.887	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409048793	PBWJOLMGKFMSQY-HASSKWOGSA-N	576.483	8.705	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4c(OCc5ccc([N+](=O)[O-])cc5)ccc5ccccc45)cc3)cs2)cc1	409050371	VCRLNXGDEWIYBW-ZSNJKBEMSA-N	613.699	8.266	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc(Br)cc1	409055421	IPBWBXBBHFNMLA-ISIUFKJFSA-N	597.291	5.918	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1)C(=O)Nc1ccc(O)cc1	409056935	NPSUOEKUGUZUMK-CXUHLZMHSA-N	518.194	6.586	50	40	KKGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1	409066836	WYXZQZZUSKPXMJ-IPPBACCNSA-N	523.964	5.008	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCc1cccc(Cl)c1	409070470	YCHHJJKFBUYORV-HYARGMPZSA-N	507.417	7.245	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc(I)cc2)c(Br)c1)OCO3	409100925	XFWONULGVMWZPA-QHCPKHFHSA-N	603.210	5.580	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc2)cc1OC	409128313	IVIMCIYCYZIGID-DPNNOFEESA-N	628.534	5.935	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OC(=O)c2ccco2)c1	409219617	SJMJXMRAHHWPOP-UHFFFAOYSA-N	517.925	5.177	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Cl)cc2Cl)cc1	409224037	ILAMPBWLXKKCDN-WKIKZPBSSA-N	529.336	5.233	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409227507	ZJTRXJJVSFEVQS-CIAFOILYSA-N	548.437	5.946	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(Cl)c1OCc1ccc(Cl)cc1	409251675	QCKGHWCCAMFOTN-UVHMKAGCSA-N	518.353	5.652	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1	409256034	NNSIVSUGFUZFRP-KGENOOAVSA-N	548.437	6.028	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)ccc1OCc1ccccc1	409257779	UYMPVTKPKICGGD-RGXNXFOYSA-N	523.589	5.446	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409259141	ZUSBEPQVEGGBAO-WBIBEUCMSA-N	684.616	7.805	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C	409262050	DJXOQZHXADHYCH-GIJQJNRQSA-N	651.277	7.410	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	409313823	DGOJYJJZAPVZDR-AQLQTECXSA-N	665.766	6.528	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)ccc1OCc1ccccc1	409318405	VKJBTIYEARMYTM-ZMGVVAQMSA-N	714.323	7.562	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409320962	DOMIJIQTTQJRIH-QRQIAZFYSA-N	550.524	5.421	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409323959	QHWOEEWPDUCZIV-MNDYBZJGSA-N	547.486	5.976	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371198	CWOOYCPFWZOYKR-IUXPMGMMSA-N	653.170	6.355	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1	409373214	OSVRUABQHBMHAM-WKULSOCRSA-N	519.941	5.762	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409373851	VFBMSQDMYQGGEK-WKULSOCRSA-N	564.392	5.871	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409378545	PYLVORXUZSXDAI-CCVNUDIWSA-N	608.274	5.594	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409396648	ZREJLNYRUHNPCE-UHFFFAOYSA-N	619.846	7.076	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396857	CAXAPSWPUHYWQW-UHFFFAOYSA-N	584.588	6.888	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)o2)cc1	409400036	BCOWTGBEOOVTNM-QMRORBIVSA-N	633.488	7.824	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4cccc5ccccc45)c(I)c3)o2)cc1	409400191	BYSJSSWIGIIZPJ-FIBXFRIOSA-N	821.453	8.971	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(Oc4ccc([N+](=O)[O-])cn4)c3)o2)cc1	409401021	FZPWUVPWEACNNY-KYHGBAKBSA-N	551.559	6.126	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OC	409403394	MOBXTEZXPWJYSR-FDVSRXAVSA-N	599.425	5.652	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC#N	409406634	XJBRIISPAGUKRO-BJUCDSOZSA-N	625.907	6.747	50	40	KKGB	
c1ccc(P(c2ccccc2)c2cccc3c2O[C@@]24Oc5c(cccc5P(c5ccccc5)c5ccccc5)C[C@H]2CCC[C@H]4C3)cc1	642772158	RXNGOILZLRYHEN-SRVHQFJISA-N	660.734	7.886	50	40	KKGB	
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	1570007662	ZIXYSUPSPWROPS-XVHYDBKJSA-N	522.799	5.254	50	40	KKGB	
O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C/c1ccc(N(CCCl)CCCl)cc1)c1ccccc1	1717312	NJURUAAFSWRFSE-LQKURTRISA-N	545.319	6.829	50	40	KKGB	
COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC	1867918	ZGPOEMKTQHFCLB-NBVRZTHBSA-N	566.466	7.350	50	40	KKGB	
Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)nc2ccccc21	8739780	WXWBAEFNCOODNL-XHPQRKPJSA-N	507.597	7.069	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(F)cc1	9204713	SGQHLLZEDMXLIC-CCVNUDIWSA-N	519.798	5.912	50	40	KKGB	
O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1	12311987	PSLRUHNDOMQMJR-MHTZHOPKSA-N	503.650	5.819	50	40	KKGB	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3	13134533	NTCYHIZWLXMYTE-INIZCTEOSA-N	508.047	5.813	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1	20347447	WHFLIYUKSKUFLK-NDEPHWFRSA-N	508.647	5.956	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	34715523	CAQQUCSTRCDRDD-ZDLGFXPLSA-N	500.267	5.982	50	40	KKGB	
O=C(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F	80541961	IIYQDKPSLAINNX-PGIPBFRLSA-N	664.080	7.193	50	40	KKGB	
CSSCCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(OP(=O)(O)O)c5ccccc65)cc4c3)cc2c1	95574277	GUHZUPDFYIAIMU-OAQYLSRUSA-N	764.222	7.849	50	40	KKGB	
N#C/C(=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1	97946593	IQJZJSINFBCHSW-NHFJDJAPSA-N	532.625	5.240	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1Cl	98048472	KBZBXWJTBLGIAE-DEOSSOPVSA-N	536.484	7.100	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCc1cccc2ccccc12	100062281	RMPXIXVGXAYJEH-MUFRIFMGSA-N	550.396	6.104	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100130061	IFDRSQHRTHVBKY-OHUYPAJKSA-N	617.986	6.438	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1	100178385	WPBUBAQYARVCRT-BXAFPDBCSA-N	546.026	5.615	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)cc2)CC1	100290341	PQNOBAHHBFLKSO-KEIPNQJHSA-N	600.561	5.951	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343675	HYQZDXHTNMMPAF-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	100474678	VKKKBWFIHARCBK-KBKYJPHKSA-N	611.630	5.522	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)cc1	100753723	DCLCFNQRKMLFQM-WJOKGBTCSA-N	578.694	6.025	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1	100990593	POECEEMGRFZGDO-GFPZRUSRSA-N	587.326	6.499	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1c(C)cc(I)cc1C	101071733	ZICFMGKCNYRZHU-XDHOZWIPSA-N	578.410	5.875	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	101555464	FMDKCWMDTJQKMN-HKBQPEDESA-N	580.109	7.304	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC3=C2C(=O)CCC3)cc(OC)c1OC	102808232	DHVBPUHCDBMIGV-XMMPIXPASA-N	573.593	5.532	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2c(C)cc(C)cc2C)=C(C)N1	102808644	SAGRDABBQXAGGS-MUUNZHRXSA-N	554.716	6.782	50	40	KKGB	
CCOc1c(I)cc(I)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	103940045	SQVRWAOPSWEXMQ-KPKJPENVSA-N	541.130	5.235	50	40	KKGB	
ClP1(Cl)=N[P@@](Cl)(N2CCCCC2)=NP(Cl)(Cl)=N[P@](Cl)(N2CCCCC2)=N1	104382655	KRFYFVOLLQYCOH-DIVCQZSQSA-N	560.926	10.189	50	40	KKGB	
CC(C)(C)[Si](C)(C)Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(O)cc3)sc2c1	196041223	LVZAJJMYYKOTDQ-UHFFFAOYSA-N	587.858	8.754	50	40	KKGB	in-vitro
C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NNC(=O)OC(C)(C)C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21	205998362	WVKRAXKRWLAYQX-UHFFFAOYSA-O	597.824	7.603	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	216061980	PKOJXECRWQKQIA-CCVNUDIWSA-N	719.155	6.790	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	245227068	YFWOQBGFDUWONH-VUMAWNTCSA-N	564.085	5.819	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(OCc3ccccc3)c(OC)c2)cc1	408538110	JDWYVWCWEJUFLW-ONUIUJJFSA-N	583.040	6.839	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)ccc1OCc1ccccc1	408538136	JQYXGWAKMUNEDM-NJNWQDHISA-N	812.584	10.399	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538479	NNYHGDINYCJJPR-YZSQISJMSA-N	552.602	6.937	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)ccc1OCc1ccccc1	408539173	UNTSUMAOAGGDIR-ZVHZXABRSA-N	680.368	8.453	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540232	OWCPLBVWRYWKLS-OHUYPAJKSA-N	590.032	6.577	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408545313	XSCSMWMXFFUQHZ-NHDPSOOVSA-N	606.270	7.188	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(C#N)c1C	408546648	LCSOECILANDWCI-UDWIEESQSA-N	504.995	6.056	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550232	FBZXUGUAMJYLFZ-RQZCQDPDSA-N	634.326	7.535	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408553273	NJRPUJOITDKLCQ-YVLHZVERSA-N	514.796	6.518	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c(C)n1-c1cccc(Br)c1	408587008	DLHIQJAAWVOFSF-BRJLIKDPSA-N	551.226	5.023	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3Cl)CC2=O)cc1	408606533	MGSCDNHZJFNGBF-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408609147	JMENNIFNJMOZBY-KPGMTVGESA-N	542.463	5.861	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1	408609788	LLMWHRPUFCMTJJ-MUFRIFMGSA-N	514.409	5.840	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1	408646181	TWKRBLQRYULBJE-NCOADZHNSA-N	635.111	5.295	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)c1	408746978	XNMDGVGMFJEYBO-ZDLGFXPLSA-N	637.699	7.230	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3I)o2)cc1	408756356	RMIQSMGMMAEJSC-LGMDPLHJSA-N	512.303	5.274	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(I)c2)cc1C	408788943	GOTLQBSEGCTTFI-RGVLZGJSSA-N	526.349	6.172	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1F	408793422	FKDJHKVCPFCCQL-VCHYOVAHSA-N	576.793	6.607	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccccc1Cl	408797667	SKMXKSQKKQGTTF-LZYBPNLTSA-N	564.636	7.129	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408797947	UMOSEIJLJCFVPM-YBFXNURJSA-N	585.252	6.807	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408829894	MKZBLQXLFOKAAZ-JRZNSJKLSA-N	769.729	6.370	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408831823	PKOLJEQNGPTEJC-HZQMBONKSA-N	777.763	6.434	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	408837119	YZHOJRFKYNQMKO-KGENOOAVSA-N	612.318	7.300	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccc(C(C)C)cc1	408845765	RPKGRNSLVOKCSW-VWJSQJICSA-N	539.627	7.129	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(F)cc1	408854028	VVQZMAOUGWRRBG-NVJOKUIPSA-N	623.216	6.291	50	40	KKGB	
COC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408856145	JETFVBKCHHSGGQ-LQNQUEJISA-N	546.421	5.531	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccc(C)cc1	408862586	HPDVTSCNXFXSIX-VTNSRFBWSA-N	583.085	5.549	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1Cc1ccccc1Br	408880632	GISVLGYZCXHLKS-VCHYOVAHSA-N	621.700	7.242	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2I)cc1	408888486	VXYFQRKVJNCQAI-CAOOACKPSA-N	699.670	6.891	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	408889767	GYRCDNGHQNHZAH-RQZCQDPDSA-N	506.216	7.733	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	408889858	JZXFJQQXULLYJZ-CAPFRKAQSA-N	502.979	6.115	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1	408890994	JPPIKOLAELICTO-PTGBLXJZSA-N	540.597	5.638	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408892462	ZSEOHJASVGASEA-BRJLIKDPSA-N	655.199	5.825	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccccc1Br	408894992	KBANBAJWWWEFTR-PCLIKHOPSA-N	662.378	8.314	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408895415	KHNNTJUOHPIVFP-XDHOZWIPSA-N	545.444	6.322	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408900888	YPKRIJPKWFLHFP-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	408923255	GPSBYSXWZRWETN-IPPBACCNSA-N	584.909	5.541	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)c(OC)c1	408958167	XLGOSXIKCLCGFK-UIGQDENISA-N	671.534	5.310	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408969002	FNMUCSNWHRKXFM-WBPVJYQASA-N	613.545	6.642	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	408970624	JKSJABVSLQRBES-IEBNKFCASA-N	594.451	5.597	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c2ccccc2)cc1	408979554	MUPPYYZBVWEQIR-VADXBNPNSA-N	590.749	6.630	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc2c(c1)OCO2	408982110	FVWWRMJZXUCUFO-GIJQJNRQSA-N	555.812	6.273	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccs1	409007638	YNBQQSHWLBCUKR-BHGWPJFGSA-N	516.859	5.050	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	409010229	BLEVSCLDAVPJKL-HKAFWRKLSA-N	588.491	5.804	50	40	KKGB	
C#CCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCOc1ccc(Cl)cc1Cl	409014591	NDKRMKQLWSWWCN-DPGRRRKKSA-N	552.458	5.042	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c([N+](=O)[O-])cc1OCc1ccccc1	409035673	PXESTQNVFXWFKZ-MZFJOGFUSA-N	532.556	6.162	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	409072721	SAMIYXKTTVRUCS-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccccc1C#N	409141553	VLGIDDNDMFXJKJ-MHZLTWQESA-N	561.082	5.572	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409164428	IKAPKAZJDKMCDO-AMVVHIIESA-N	648.885	5.066	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)COc2ccc(Cl)cc2Cl)nnc1-c1cccc(Cl)c1	409196031	YHSJAEPVBAMFCV-VFLNYLIXSA-N	605.891	6.514	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc(OC)c1OC	409220418	ZAKKBLAHNGHVPR-PBOQVFOJSA-N	669.603	5.164	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)cc1	409222681	DDFDCCDLOYJJSV-LICLKQGHSA-N	587.243	6.222	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409225537	PJUNKFYCORKCEB-UHFFFAOYSA-N	576.834	6.338	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409240809	PYMWTVQOYPQIQG-OBLBUWMUSA-N	515.824	7.019	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409257506	SAIUXCACOJCYKW-WQRHYEAKSA-N	554.828	5.983	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1C	409257609	STPPUHBQEMMJOT-DZELJBCFSA-N	510.421	5.692	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1C	409263127	ADKSRWGOQWDHEV-KMUKQRDJSA-N	605.720	6.961	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)c1	409266375	RAEOYQAVCFUYGR-XDHOZWIPSA-N	522.374	5.768	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1OC	409310323	ACDZXGYQGOKVOO-QDTIIGTASA-N	641.154	6.724	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1	409337730	ZGODJYCYTIRBMM-RMORIDSASA-N	544.652	6.138	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCc1ccccc1	409366809	YQYHMRLKOBXRCX-NTFVMDSBSA-N	542.417	5.579	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1	409372730	IACCFGFVPZYGHL-AMVVHIIESA-N	523.372	6.196	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386407	PXCLJIXYJFHMFA-LUOAPIJWSA-N	626.259	7.064	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1OCc1ccc(Br)cc1	409386412	PXKNHJLJMFAJHS-OKCVXOCRSA-N	594.487	7.042	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409394571	CIHZYNFWYGJNNI-UHFFFAOYSA-N	865.700	8.535	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395323	MHAMAWHXKXXWML-UHFFFAOYSA-N	546.385	7.264	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(C)cc4c3-c3ccccc3)cc2OC)cc1	409398086	QJIYVSIYVXHIFV-UHFFFAOYSA-N	533.584	6.144	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409400618	DUNBUXOXGSVDMG-WBIBEUCMSA-N	643.096	7.569	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)OC(C)C)cc3)o2)cc1	409400805	FNHJKXTYVNWYJU-LJUMEUDFSA-N	529.593	5.360	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OC(C)C	409404307	PTBOSWVFVJUDEQ-ACXHZZMFSA-N	627.479	6.430	50	40	KKGB	
COc1c(C(C)(C)C)cc([C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@](=O)C(C)(C)C)cc1C(C)(C)C	1857795199	SPPWTTTZCGMIIW-PVUKSDKOSA-N	627.875	8.532	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(C(C)=O)c2)NC2=C1C(=O)CCC2	2310019	FALCJJQUGVRGLD-AREMUKBSSA-N	501.608	5.089	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)nnc1-c1ccc(C(C)(C)C)cc1	2330100	DWUIDEOJYRHCAY-ZCTHSVRISA-N	527.694	6.084	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1	2670120	BRYCHLUIZNBLLP-QGOAFFKASA-N	537.424	7.704	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)[C@H](Br)[C@@H](Br)c2ccc(C(C)C)cc2)cc1	3126971	JRHOYCAUOJVCSZ-BJKOFHAPSA-N	580.338	6.969	50	40	KKGB	
O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	6151698	QDUQJFNNOMYFPD-UXHLAJHPSA-N	573.472	6.162	50	40	KKGB	
C/C(=N/NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(C)cc1	8396817	OFCNCOXMVSMILA-TWCQISOYSA-N	519.074	5.862	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccccc1Cl	8812596	QRPJDXFITIJTDV-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	20246610	DRIXHHGDZZOKLV-MDCJEGRMSA-N	501.011	5.426	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\c1ccc(OCc2ccccc2)cc1	30728506	GGNGYDYFKKIHRU-YSMPRRRNSA-N	506.678	5.652	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12	30738557	ACDRDZDWSKVKSC-NMOCOHJCSA-N	520.629	6.619	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(C)c1	59335688	ZGWQYWNAJMUPHN-IWIPYMOSSA-N	501.424	6.919	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(C)cc1	59474933	LNPGKXBWOURZLA-QRVIBDJDSA-N	519.439	6.898	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(Br)ccc1OC(=O)/C=C/c1ccco1	97962173	KHYILWOPHHIZRG-AOKCSGQYSA-N	545.389	5.857	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1	97980748	VRWOYCVEKPSUEX-KVAAJVFYSA-N	640.545	6.445	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1	97999419	UTTIZIOXWMJKIG-MHZLTWQESA-N	579.509	6.709	50	40	KKGB	
O=C(COc1ccccc1C(=O)N/N=C\c1c(Cl)cccc1Cl)N/N=C/c1c(Cl)cccc1Cl	98002560	XYEYOVWLWDQXFW-VMVWRGKXSA-N	538.218	5.593	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	98045826	VSWQHWWIIKYDNH-BNWUJJENSA-N	664.811	6.394	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	98048640	KNMQPRSFPGGAEU-DEOSSOPVSA-N	539.444	6.293	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C(C#N)[C@H]2c2ccco2)cc1	98048919	YZEAEERPRGYJPT-SANMLTNESA-N	566.605	6.567	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1	100178516	MJZOTXCYIINYGW-KUAZKQCOSA-N	576.052	5.244	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	100366484	IRPOUMJOSYFZJJ-WKULSOCRSA-N	557.459	5.204	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1cccc(Br)c1	100869464	MITZBPUPZGGZEU-USHMODERSA-N	534.483	5.946	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1	100989466	AACIZYHJMFCCMW-CKVBZJJFSA-N	538.854	6.167	50	40	KKGB	
COc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)cc3)C2=O)c1	101069604	ZMYPQPRBRNTIIK-GOHCDNDPSA-N	504.011	5.722	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	101558507	UFVUJAQPZXJPFH-VWLOTQADSA-N	608.945	6.871	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl	101853444	AWBIRCJMBSJIGG-GDLZYMKVSA-N	574.102	6.324	50	40	KKGB	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	102454476	WZBLEGNQVBQJFL-XBTMSFKCSA-N	581.094	7.024	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(OCC)cc3)=C(C)N2)cc1	102808123	HHNWOYSKLQNJFC-NDEPHWFRSA-N	558.660	5.784	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	104821014	IFKLRGNGTJXLGF-UHFFFAOYSA-N	538.541	6.966	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc(Cl)cc1	106258671	ZIKUYQZFYGSZND-OKCVXOCRSA-N	590.889	6.523	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)[C@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C	118914791	RBYRHDBWVSOLNG-UHSFNJTCSA-N	597.587	5.650	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1cccc(I)c1	150374291	AECMTZFJHMHQDL-RUMWWMSVSA-N	657.961	6.803	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	150385602	LZFMBYQAVIYNFZ-PTEHHBOZSA-N	657.929	7.419	50	40	KKGB	
N#C/C(C(=O)NCCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1	150449336	UDCSFPAQSMMOKC-NNNAFQPNSA-N	760.848	5.750	50	40	KKGB	
COc1ccc(CNC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	150498823	USOHZKHHJKMDNC-DLCNMLRHSA-N	643.549	5.061	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OC	162473243	KYZPHFGGUKDRRY-LQKURTRISA-N	637.350	5.131	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795257	CUJYVGKVAYEFKL-WHFBIAKZSA-N	759.979	8.700	50	40	KKGB	
C[Si](C)(C)OC(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F	169806650	MQRJAXFSKBMINU-VDTYLAMSSA-N	568.252	6.237	50	40	KKGB	
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	216067510	DIMYHZDULFSWLS-YSEVOBFOSA-N	641.142	11.150	50	40	KKGB	
Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)/C(=C/C#N)[C@H]2O[Si](C)(C)C(C)(C)C)c(O)nc1=O	263608002	SQJCSVASMHMSKO-IIPOGTECSA-N	507.780	5.017	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	408570182	SODAZKITSXFSRI-KBVAKVRCSA-N	549.117	7.080	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408606348	LOVXRLKJSMUFHX-MRXNPFEDSA-N	532.399	5.606	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408607722	NWLWOIZHJREFNN-GOSISDBHSA-N	544.435	5.476	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1C	408643788	PZNARIBBWBMBER-WTGUMLROSA-N	610.730	5.119	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408649640	YSALTKXERQTFRF-NFYRHNLVSA-N	772.938	8.331	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)ccc(Br)c1Cl	408682342	GCRCXIXBKVMECH-CGJYQSBYSA-N	614.707	5.177	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408725583	KVFREOJTGVRPTR-MFOYZWKCSA-N	580.693	7.933	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccc(Br)cc4)cc3)cc2-c2ccc3ccccc3c2)cc1	408727803	XVUULDQGQRGGSY-SEBMTOOBSA-N	615.531	8.106	50	40	KKGB	
O=C(N/N=C/c1ccc(I)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741017	GNEJKBRJWHGHFL-RUMWWMSVSA-N	567.430	7.180	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408744140	JHLUIDAMXWSRNV-ODLFYWEKSA-N	552.381	5.889	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(OC)c1OCc1ccc(Br)cc1	408747372	MXWCDCUVURCQDS-IWIPYMOSSA-N	517.423	5.989	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)ccc1I	408747751	SLPKMOITLXXZCD-ORBVJSQLSA-N	668.540	7.365	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747887	VGTOCQXLKROEHO-MNBJERMJSA-N	533.397	5.553	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408750364	LUYDSULMASXPRJ-YKQZZPSBSA-N	607.404	5.165	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408754530	NUXUNUZICNSXKP-GHRIWEEISA-N	572.393	5.069	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OCc1ccccc1	408762421	KPWHAZXYYVGWTK-FLANDWEYSA-N	649.551	5.031	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2I)cc1	408765291	VDGDLZGSXRWCDK-XMHGGMMESA-N	537.357	5.163	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	408767379	WIKONVDFHKRJOP-SFQUDFHCSA-N	572.393	5.069	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1	408771485	HJDVKMCHAIJJGM-STZFKDTASA-N	509.391	6.115	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c1	408782243	GCOLDYXFIQGRIC-YBEGLDIGSA-N	531.874	7.004	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408784188	UGWVSINFZUJPBN-JAIQZWGSSA-N	621.302	7.684	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(C(=O)O)cc1	408789262	IAFGRPIUDWVPOP-VCHYOVAHSA-N	588.785	5.776	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408792110	IANWECNYCHMVDR-VXLYETTFSA-N	708.246	5.505	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(Br)cc1	408794903	JOIIOMBHGNJGPQ-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(C(=O)O)cc1	408797857	SVCVACMQMOPPBQ-WSDLNYQXSA-N	596.421	6.130	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OC(C)C	408797926	HHKFLUXKDWDATQ-OQLLNIDSSA-N	555.210	5.785	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1cccc(F)c1	408798545	VTQAYMHAZIADGS-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1cccc(Cl)c1	408816256	RIJYPNNOLMJPEP-YZSQISJMSA-N	539.031	7.442	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408820499	WPWVTFQCSGIDPP-ZXSNDDASSA-N	520.032	7.449	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCC	408822886	CIFMWAXYQOEJRY-YBFXNURJSA-N	590.301	7.678	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccccc1	408829412	NXYKKFNSWQNOIP-BUVRLJJBSA-N	648.351	7.924	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OCc2ccc(F)cc2)c1	408832373	RYLVCGFBSYHRGB-YZSQISJMSA-N	522.576	6.846	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc(Cl)cc1	408833449	SLBQSQXUXSOVQE-LFVJCYFKSA-N	603.900	7.815	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc2ccc(OC)cc2nc1Cl)S(=O)(=O)c1ccc(C)cc1	408834393	YVMCQNSIHPHARD-OCSSWDANSA-N	551.068	5.113	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408837503	HHUSYJZRGVUALO-ODNPBWNPSA-N	646.087	6.682	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)c1C	408838145	CJZFVXUFOWJKKN-ATZGPIRCSA-N	554.119	7.995	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408848000	WLYSKUMTZJNFJZ-ROPCREHHSA-N	690.175	7.754	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408854104	XRCXVCOFZRPSBB-QJOVZPHJSA-N	584.503	8.111	50	40	KKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl)c1cc2cc(Br)ccc2o1	408855899	HVLOYYHFMWTPAO-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
COc1ccc(-c2ccc(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)o2)c([N+](=O)[O-])c1	408856511	QGAGJGDMBFKPKX-NSKAYECMSA-N	578.390	5.375	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(C)c1	408858640	ZWQIKRGYPGGCTK-QDTIIGTASA-N	619.253	6.460	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3Br)c(OC)c2)cc1	408866661	HSPMPQRRTQBWEX-UDWIEESQSA-N	645.291	6.375	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1Cc1ccccc1F	408867560	LNSFSODPTMGBKO-PCLIKHOPSA-N	585.473	7.702	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(OC)c1	408868623	NDZPEVLVSQBIJE-DJKKODMXSA-N	542.375	5.721	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1	408869238	RNQYXMJXZRXYDZ-UDWIEESQSA-N	509.375	6.284	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3Br)c(OC)c2)cc1	408871503	GYBKWBJYMPFLRO-UDWIEESQSA-N	598.291	6.533	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cc([N+](=O)[O-])ccc1O	408872139	LGUBQJZKYZRUCE-MYKKPKGFSA-N	549.175	5.168	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2OC)cc1	408888482	VWHJWRDXVNRSSX-KKMKTNMSSA-N	507.757	5.647	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OC(=O)c1ccc(OC)cc1	408888553	WZOAXEWNBRJPGG-LICLKQGHSA-N	647.809	6.025	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Br)c1C	408891132	MBQWMJDKPATGPN-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccc2ccccc12	408892824	CPSGHNLVNDKNMM-LPYMAVHISA-N	512.949	6.325	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cccc(Cl)c1	408897912	JKCZBUNEJVLDRK-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c(OC)c1	408923172	JPRBBTSHCZCSLE-IVBPXPASSA-N	683.765	6.540	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	408925660	SPJAGALVIFVNMV-KCSSXMTESA-N	539.429	7.107	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2Br)cc1	408925977	VJHGMGZPFBOZBT-XNTDXEJSSA-N	615.811	6.443	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)c(OC)c1	408957110	SJNAWBGWKBGLPL-QGOGVWFISA-N	744.643	6.164	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)c(OC)c1	408957809	WEWOTLFSGMZMRO-MMGYZVBGSA-N	740.564	5.064	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1C#N	408970159	BTGANWXFLBMRIS-SGKAFEHYSA-N	615.517	6.089	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	408971206	HHLTUHSBENDIDP-LKUDQCMESA-N	533.068	7.611	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1	408987931	PRYVWKVEAKUPRM-GIJQJNRQSA-N	593.248	7.040	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408992907	UDFGMLUXGTVXOV-QVIJCIFESA-N	658.161	7.543	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl	409000215	FBSCWLCPDBVCHE-ANGWUCRQSA-N	635.142	5.235	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409018381	UVKPRAJDPXWEQC-AFEWJPRFSA-N	648.418	7.752	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1cccc(F)c1)c1cc2cc(Cl)ccc2o1	409022457	OQVNFEAQOICEHL-PPDIBHTLSA-N	501.739	6.331	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1	409044303	BSOPIWYSKRUDBB-LDADJPATSA-N	510.377	5.955	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409049379	QOHYRLXFKMBAHC-ATZGPIRCSA-N	617.956	8.313	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1	409073572	QGZKUVYXZJSLTN-GHRIWEEISA-N	517.390	5.705	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	409075058	STBXOVJTBFPISE-LDADJPATSA-N	529.368	5.588	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)Cc2ccccc2)c(C)c1	409141941	CLOKXZSVARJDTF-CCVNUDIWSA-N	518.466	5.260	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C(F)(F)F	409162280	ZLKFAJXISBCQPM-ODQASSKESA-N	663.491	5.774	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OCC)c2)cc1	409165421	YBDNFVSGDWXJEC-MHDJOFBISA-N	727.383	6.282	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1Cl	409169713	REAIMJMMVYLZEK-VWJSQJICSA-N	599.913	5.318	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1	409174145	LOIFHKIXBFWTDO-MHDJOFBISA-N	676.939	5.251	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)Nc1cccc(Cl)c1	409186537	DLBGWDIRISYVJU-YVLHZVERSA-N	546.646	6.990	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409187767	BUKOXCFYOVOGCS-WQRHYEAKSA-N	514.376	5.301	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1OCc1cccc2ccccc12	409239659	IBZYHZJXOMYHDI-VAMRJTSQSA-N	530.668	7.202	50	40	KKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)COc3ccc(Br)cc3Br)cc2)cc1	409243980	VUNIUDLJRKBMAP-MXAYSNPKSA-N	534.273	6.200	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1	409262421	DJVKQTMDXLXHSC-UDWIEESQSA-N	659.908	6.614	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)c1C	409272701	RREJFPHYTSQUOQ-LPYMAVHISA-N	518.411	5.307	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)NC(=O)C[C@@H]1c1cccc(Br)c1	409322677	LHXJGJXRLONTFX-CQSZACIVSA-N	544.780	5.832	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(Br)c1OCc1cccc2ccccc12	409369133	DMLJSFLZOJVZRN-OKCVXOCRSA-N	546.421	5.912	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1OC	409370859	FFPDPNYNAKCQCK-QDTIIGTASA-N	615.333	5.114	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409394959	ICMVNNWGNIMUJJ-UHFFFAOYSA-N	808.694	9.237	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)cc1OCC	409395297	MALNJORMWMIZQI-UHFFFAOYSA-N	644.497	7.517	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409395564	PBSMMMMMMKXPKX-UHFFFAOYSA-N	709.924	7.102	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3ccc(C(=O)O)cc3)o2)cc1	409400034	BCJLAFGDRWUXAR-HQDYHJHZSA-N	608.607	6.215	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409403219	MECVBRCKUMOFDV-OCUJFKKWSA-N	784.889	8.235	50	40	KKGB	
CC[C@@H](C)n1c(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409404596	QIPQPLNBLXQUTK-LIXYRHBFSA-N	522.649	7.264	50	40	KKGB	
COC(=O)COc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1[N+](=O)[O-]	409404865	RDJDZHAETOVLRQ-CPDSRJINSA-N	580.981	5.143	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4F)c([N+](=O)[O-])c3)o2)cc1	409407310	ZJFCDXQCDPYOLM-QMRORBIVSA-N	617.033	7.310	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccccc2C#N)ccc2ccccc12	1529548926	QJAIDPZNADXEFB-JGOCILMOSA-N	633.730	5.175	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	1893588	JKAMAFBNALMRMY-HSZRJFAPSA-N	574.928	6.512	50	40	KKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21	2324664	ZEBPRDZBCBRTMS-ZXPTYKNPSA-N	513.395	5.082	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nnc(-c4ccccc4)n3-c3ccc(C)cc3)ccc21	2339605	KIPMLUYUGPMVAW-FMFFXOCNSA-N	544.684	6.613	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1ccccc1Br	2709706	JHRYNSLRTQCSHE-LGJNPRDNSA-N	572.286	5.097	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]12	8954626	KQIHYMLPAWUVKD-JZPVXCNCSA-N	503.605	7.054	50	40	KKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@]12C(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ccccc12	9282112	SZUMLKRGRMXDNU-HHHXNRCGSA-N	514.372	5.303	50	40	KKGB	
C=C(C)CN(c1ccccc1SSc1ccccc1N(CC(=C)C)S(C)(=O)=O)S(C)(=O)=O	16138568	KFMFCLAMLQJCIP-UHFFFAOYSA-N	512.744	5.170	50	40	KKGB	
CCc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	30735405	AXGQWPNLNJMZKT-DXJNIWACSA-N	511.695	6.345	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(OCc4ccccc4)c3)n2-c2ccccc2)cc1OC	97939449	IVVWHUWLTSROTI-FMFFXOCNSA-N	579.682	5.773	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2cccc(F)c2)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccccc1F)c1ccccc12	98008185	WKXYMYGDGSOZHZ-UUWRZZSWSA-N	558.588	6.471	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292916	ZYLHLJFFDZTGQV-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
Cc1ccc(S(=O)(=O)/N=C2\C(Cl)=C(Cl)/C(=N/S(=O)(=O)c3ccc(C)cc3)[C@H](Cl)[C@@H]2Cl)cc1	100815317	KJVBAWAOJCRNGK-DTJVVLGSSA-N	554.304	5.181	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	103889628	VAWMUANRSIAJFG-NVNXTCNLSA-N	537.186	7.333	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)COCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O	104166743	ROGWIXPAQUYWFL-PKRYOZTKSA-N	594.797	5.905	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	105586076	XMCWSDWXTDFPHH-VUTHCHCSSA-N	528.590	5.063	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	150470836	IRDRPQAUNLSEIT-JFLMPSFJSA-N	647.550	8.901	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	164695583	QEQYGBHCTNLBAI-STZFKDTASA-N	707.204	6.651	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br	408541485	ZRVFPCFRVCMGSH-QRVIBDJDSA-N	527.213	5.843	50	40	KKGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccccc1C(F)(F)F)Nc1ccc(Cl)c(Cl)c1	408551016	ADSZVIYHRSWJBL-ULPWCQAASA-N	510.299	5.794	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1C	408567484	NTYWCGOERHHPIG-MZJWZYIUSA-N	530.260	6.100	50	40	KKGB	
CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	408636809	CRPJMGIWBJKECF-UGKGYDQZSA-N	520.409	5.073	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408640091	HGCCKOAKTIZMLG-YLLORCDKSA-N	610.730	5.199	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408655842	RWSJBKQGGAKVEO-XMWSTLINSA-N	731.781	6.059	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408670653	ITMLDDKDSVUENP-WCVJEAGWSA-N	570.665	5.027	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408710915	WEVDVYCNSLAIKC-LUOAPIJWSA-N	725.546	6.663	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccc(Cl)cc1Cl	408723246	RYPISUFBBSSCSO-XJYONFIHSA-N	600.889	6.613	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408724381	DUEFFYJUFYJTTG-WQRHYEAKSA-N	572.253	6.353	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	408745759	VHUHLIPFTTZYAK-ZDLGFXPLSA-N	652.124	7.249	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(I)cc1	408746077	QQJNZWZSHWRZOG-PDGQHHTCSA-N	544.776	6.078	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1	408747035	YDRKGSGEOYQUAN-UNOMPAQXSA-N	569.355	5.723	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(I)cc1	408747221	KQMXSVZSPKBYGY-RDRPBHBLSA-N	549.412	5.085	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc2ccccc12	408748688	GKWMBQQWAYMNPG-MUFRIFMGSA-N	595.393	6.094	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408762932	LWWVUILJDLCHEI-DHDCSXOGSA-N	641.283	6.376	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Br)cc1Br	408771514	HPBVEOBTIFTFIL-PXNMLYILSA-N	611.117	7.652	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408787587	CEDLZJBMURGMTF-CAOOACKPSA-N	623.230	6.429	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1	408793059	CWEXKKVVGIAZTC-DEDYPNTBSA-N	539.813	6.404	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1	408794459	JDRPUHPXRCTZKV-YBFXNURJSA-N	586.357	5.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OC(C)C	408799006	GPFBLWQICOJAPV-VGOFMYFVSA-N	545.204	6.330	50	40	KKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408805970	DENMSTSTGZRPJQ-VIDSTALTSA-N	676.336	7.230	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccccc1F	408816643	JXRSPKFFKFRLRY-PXNMLYILSA-N	642.181	6.299	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1	408817700	YGVUVSBOLGCTOQ-RHKOWXKBSA-N	569.661	7.222	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc2ccccc2c1	408819173	ZWNLNPJYQMGNKT-FZKWRIDDSA-N	583.482	7.819	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccccc2)cc1	408839036	LWLFCNAMYLVAGW-UHFFFAOYSA-N	528.815	5.644	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1ccc(OC)cc1	408839101	MXUHWXNDAFOLIW-QNKGDIEWSA-N	551.599	5.258	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4OC(=O)c4ccc(Cl)cc4Cl)cc3)sc2c1	408839834	WRAZCSIRALNQHH-QNVXDBMFSA-N	636.944	8.405	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408845817	ZNMFPYSRPCHWND-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408847643	TWLJCBAJOYSPOQ-AABVJFSESA-N	711.819	8.315	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1Cl	408848695	SJCUEMRRKRZYTM-CPDSRJINSA-N	602.710	7.683	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408849424	YKBNHCQGQBOXKB-KVAAJVFYSA-N	655.332	7.390	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(Br)c1	408878706	CVXLTPUCLRIDFK-MHWRWJLKSA-N	548.319	7.366	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	408884169	XAHPRQMYUJYMQC-VHMJVKKQSA-N	608.536	5.928	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Br)c(OC)c2)cc1	408887225	MVWUGJRGLDXKKJ-WOJGMQOQSA-N	527.802	6.244	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408887230	MZLRRWIENYQYIZ-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1C	408888373	UWOQYWRSANYROV-CIAFOILYSA-N	550.409	6.498	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OS(=O)(=O)c1ccccc1	408900039	SKQQKPWKTSLLFS-LGJNPRDNSA-N	619.264	5.528	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904642	MNPRJZUQVPGIKZ-RAWMCFOBSA-N	665.194	5.959	50	40	KKGB	
C#CCOc1cc(Br)c(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OCC	408904871	PTPXYDMYGJXIBS-FMCGGJTJSA-N	509.198	5.086	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	408936048	FDCYEQAXOLMROR-QJOVZPHJSA-N	638.518	7.265	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)c(OC)c1	408950190	GODGRQAORWGPLZ-CJPARAFHSA-N	730.012	5.809	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)c(OC)c1	408952399	KFXWULHPXDIVJA-OQMZEJBMSA-N	685.561	5.700	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408955178	OEKBAXUIYRWOIK-CVKSISIWSA-N	516.233	5.874	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408955819	PJQDZMUMPSVFSX-MOEPSENCSA-N	641.508	5.301	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC(C)C	408968626	AKDIOLXLFWMRSF-DVHKVFPESA-N	678.395	6.232	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408969305	LKGONYQSAHAYRR-XJESCPFFSA-N	556.490	5.941	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Br)cc1	408977966	GJXBIENZRANHML-NIVXUIPCSA-N	626.548	5.987	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)c(I)c1	408982552	HPCVDPRMANXVRS-WQRHYEAKSA-N	654.673	6.982	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c2ccccc2)cc1	408983020	ZVUUTIFPEZZJCD-XIOXGIFKSA-N	606.542	5.897	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409001567	WNVABBFDUPAZGO-DANHRZQXSA-N	651.566	7.289	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccccc1	409001597	JHRUXGOZYQSWBR-MSHUQIKOSA-N	514.409	5.900	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409006854	RBYNDPDCIPYIJA-PTPMOJDYSA-N	589.431	6.604	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	409013539	KQEHIJVHWZZZDE-PPUYRMQTSA-N	600.543	6.338	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1OCc1cccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409030016	BPHKBJDVHCELRQ-HASSKWOGSA-N	759.385	8.607	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1ccc(Cl)cc1Cl	409032724	MVQQRSCHYFNABM-ZLGJVAIHSA-N	611.441	5.868	50	40	KKGB	
CC(=O)Oc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409048500	XAFXCQOCUCEEGX-CCVNUDIWSA-N	567.237	6.116	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCc1ccc2ccccc2c1	409076377	ASQNPRVCZRUDSZ-LQNQUEJISA-N	564.423	6.494	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1	409080444	NTELOCKFBLSYAT-MHWRWJLKSA-N	590.308	6.501	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1cccc2ccccc12	409099286	PXDUNEFZABQEPL-MHZLTWQESA-N	604.400	5.979	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409119223	RSADUYFITHHGOS-QLQYKETESA-N	612.151	7.035	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409136138	SREIMLZKUZFCFU-VWLOTQADSA-N	645.392	6.182	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(OCC)cc3)c(OC)c2)cc1	409161110	WNVIVHHMQDLSRC-KCSSXMTESA-N	641.519	5.142	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(Cl)c3)c(OCC)c2)cc1	409164629	LGFOJRPGWUHDPX-WCMJOSRZSA-N	678.911	5.238	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	409221818	BBWVWMZYCBSMJO-RFXCUOOMSA-N	686.937	5.710	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409229631	SCKBXEVLFQLJOS-HMAPJEAMSA-N	597.409	5.443	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(C)c2)c1	409249880	JBLUAXOKIRDTSP-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409256316	NOVWCPVAIHKFLC-YDZHTSKRSA-N	609.464	5.548	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409257579	UANBFVCDPJSRPW-NUJZUDFISA-N	650.311	5.851	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccccc5C)c(Br)c4)cc3)cs2)cc1	409262174	FUUZFSAYNCSTPO-AEUUOICLSA-N	654.590	7.714	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)cc1C	409263924	IQAHJBAMCJWWPP-NVMNQCDNSA-N	628.277	6.300	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409264462	FXDMVVMWNOMSJV-AEVGBRMKSA-N	719.061	8.458	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409268642	WZNDWUBJJBOANQ-XKZIYDEJSA-N	653.473	5.657	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1	409270079	BXIKYJSLUYAFMV-MHWRWJLKSA-N	500.769	6.210	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(C)cc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409311272	ZAOHADNSUPPKPX-YADHBBJMSA-N	576.502	5.427	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)ccc1OCc1ccccc1	409321644	IWXFSTJAPKUJNC-YKQZZPSBSA-N	595.471	5.568	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409368332	YOXIUVIHYGIXEF-LZYBPNLTSA-N	510.215	5.873	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccc(Cl)cc1Cl	409372915	QFOJEEAFLDHAEV-CCVNUDIWSA-N	503.382	5.752	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1	409373588	QYKXYRKSYNLIML-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409373867	VMJBCKFHSOQTKY-NVMNQCDNSA-N	676.119	8.244	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccc(Br)cc1	409373951	XFQUWGXNIJQCCJ-ZMFRSBBQSA-N	577.229	5.400	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1F	409382365	KSGCJVWOMLZIOR-UNOMPAQXSA-N	507.949	5.749	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccccc1Cl	409387224	VAGDBIAGMINBGX-MZJWZYIUSA-N	509.971	6.205	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(Cl)c2)cc1	409387241	OSJPCVGESDUFGV-XMHGGMMESA-N	505.958	5.310	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409395213	LBJFANOBWMDEDV-UHFFFAOYSA-N	534.528	5.735	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(C)=O	409395530	OUBNBZJRLZMACD-UHFFFAOYSA-N	818.700	8.693	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)cccc4c3-c3ccccc3Cl)cc2OC)cc1	409397483	KINFRSVLYKZATK-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397906	PIVLMRMFJBFRPA-UHFFFAOYSA-N	620.920	8.485	50	40	KKGB	
CC[C@@H](C)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401836	IIGKWXZPOWOUHQ-ZDSCIVGOSA-N	564.480	6.970	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4ccc(Br)cc4Br)c4ccccc34)o2)cc1	409405071	RZBOXBVETZMKHJ-AEVGBRMKSA-N	700.431	8.558	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	1529548074	WVCBPUFTOIUBTE-AJXABOPQSA-N	855.449	5.268	50	40	KKGB	
CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1cccc(C(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)OC4=O)cc2)c1	2362803196	MAMXXOFCLCJJCC-UHFFFAOYSA-N	638.672	8.544	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)cc(Cl)c2)=C(C#N)[C@@H]1c1ccco1	1270813	PWBIYSDMJMEGEP-RUZDIDTESA-N	569.470	6.302	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc(Cl)c(Cl)c1)=C(C#N)[C@H]2c1ccc(Cl)cc1	2312461	MOMMGVHYUZYVRN-HSZRJFAPSA-N	546.907	7.084	50	40	KKGB	
Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C/c3c(O)ccc4ccccc34)n2-c2ccccc2)cc1	2738864	KBPDMKSPYJTDJO-ZPOUEADKSA-N	536.661	5.678	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)cc2)cc1	3112723	VQBFTBINKCOCHW-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(C(C)C)cc3)cc2)sc(C)c1C	6167255	GPCDKPOXKOKTNQ-ZOJKJTATSA-N	535.666	5.835	50	40	KKGB	
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)C1	8440297	HXHZSCWMALNHDO-UTMKNSETSA-N	540.178	6.099	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3c4ccccc4cc4ccccc34)c(C)c(C#N)c2=O)cc1Cl	9095710	ACHNLVHIWVYANX-ZMGVVAQMSA-N	505.965	5.445	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/C=C\c3ccco3)nnc2-c2ccc(Cl)cc2)cc1	12465962	VLNCCZLAQIVZIN-PHZCVWMYSA-N	508.003	5.487	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1	16739772	OLDABUQTMXZXCX-ZUGOUDHMSA-N	512.418	5.638	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2c(C)cccc2CC)=C(C#N)[C@H]1c1ccco1	20136732	DJWARDLOBUDTHT-VWLOTQADSA-N	527.646	5.919	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	20214622	JEPACJODUMSEGZ-RPPGKUMJSA-N	514.793	5.132	50	40	KKGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	28214909	YZJYOIDZZDIYHC-JFLMPSFJSA-N	502.423	5.643	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cccc(Br)c1	30735479	YPDBHSDLUMIFDX-NKVSQWTQSA-N	513.895	5.489	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)cc1	59336161	WNKOEGVRHLUTID-WQRHYEAKSA-N	516.222	7.189	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1C#N	59432889	DYGQTYZEPWLMGI-SRZZPIQSSA-N	502.368	5.762	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C2CCCCCCCCCCC2)cc1	59856548	WFSKLRLOCPNBAD-UHFFFAOYSA-N	575.775	7.481	50	40	KKGB	
Cc1ccc(S(=O)(=O)n2cc(/C=N/NC(=O)CSc3nc4ccccc4s3)c3ccccc32)cc1	97962795	PKGVUMWJHFLVNU-VULFUBBASA-N	520.661	5.039	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)cc1C	100124569	RJXWCFVSXCXLOM-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(Br)cc1	100312425	LLVRWEMNGOMEOM-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3c4ccccc4cc4ccccc34)n2-c2ccccc2)cc1	100342314	SDZBKGHKWLVCAF-UCMJSZAQSA-N	543.652	6.492	50	40	KKGB	
CC/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(OC)cc1)c1ccc(O)cc1	100853250	WAQNKZJUTXNLNG-GKPLWNPISA-N	543.693	5.969	50	40	KKGB	
O=P(Cc1ccccc1OCc1ccccc1P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	102409945	BTJGHAWILNWBJA-UHFFFAOYSA-N	598.619	7.419	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(Cl)cc2)cc1	103742327	NUUABPCWMGXSBV-GFPZRUSRSA-N	542.875	7.020	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	103898567	HHLZRDNFIMVEGZ-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1OCC	103902209	RTTNDEHJKZWHNX-LQKURTRISA-N	550.464	5.136	50	40	KKGB	
FC(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342327	HJVWTMUDXNCMBC-UWTATZPHSA-N	842.037	10.293	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ncc(Cc4ccccc4Cl)s3)N(c3ccccc3)C2=O)cc1	150438868	BHEVQHVRBDDGQR-SFJGOQPCSA-N	629.163	6.629	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(Cl)c1	164789692	KYVUCYFXATXYHK-JEPNHJGPSA-N	652.169	5.989	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795272	WJNIYEZAXUFEOA-WDSKDSINSA-N	673.992	7.820	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Br)ccc1OCc1ccccc1	408538835	CHQXUWMTEIIXKX-AFUMVMLFSA-N	662.378	8.232	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408541078	BJQNATKLXYAKHF-DXJNIWACSA-N	511.578	5.410	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408613267	ZYENEFIIKPXUNM-QGZVFWFLSA-N	544.435	5.476	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408648582	WSAIGYDFSVFOMC-VPBXCIAMSA-N	730.322	5.457	50	40	KKGB	
CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)c(C)c2)CC1=O	408665342	OVDOSDUAAKCNNH-SAKKWRDPSA-N	660.403	5.505	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccc(N2CCCC2)cc1	408678399	YKXLUKXPNSOFSN-LQKURTRISA-N	557.286	6.155	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408725568	KJCSLQFGHAYJDK-BKUYFWCQSA-N	539.857	7.188	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2-c2ccccc2)cc1	408747027	YATMOXVFVXACSI-SGWCAAJKSA-N	572.064	8.187	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(F)cc1	408747644	QWXMFMWZICKNGP-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)NCc1ccccc1	408747735	SEYYTSWZIPMQSE-GRSHGNNSSA-N	607.673	6.509	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Br)c1	408752244	CLZRCOPBJWVWNY-APSNUPSMSA-N	703.087	6.922	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1Br	408753066	LEADDRIBWUQRNB-LICLKQGHSA-N	591.097	7.099	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2Br)c1	408754211	FIKDGAHCWLBCAG-ODLFYWEKSA-N	526.228	6.645	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408755093	MLDKTUBEVVBTDE-DPNNOFEESA-N	690.613	6.517	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3I)cc2)cc1	408766104	OSGZIVRSSPEJFL-JXAWBTAJSA-N	524.314	5.065	50	40	KKGB	
COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408789702	RHHIGYYHWQBBGG-YBFXNURJSA-N	694.263	5.572	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1C	408790837	RIFVHKMQNQETJD-VXLYETTFSA-N	668.700	7.291	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1	408793147	NOGWZUVSILVOAI-VCHYOVAHSA-N	591.218	6.626	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	408795738	MYRLXSWSWFJSNG-YBFXNURJSA-N	664.237	5.807	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1F	408797366	RKJHHYKFAJULAT-RGVLZGJSSA-N	556.375	6.180	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)cc1	408802183	YIXLDQTUULHZFT-RGVLZGJSSA-N	616.839	6.255	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)c1cc2ccccc2o1	408807688	DMWKDDZFQXNQLB-MWLSYYOVSA-N	546.364	6.534	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408808881	GRMWNOOVLUQSGX-CPNJWEJPSA-N	552.255	8.034	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408818147	PBPXIJQHOXYYTN-JMIUGGIZSA-N	545.850	6.856	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(F)cc1	408820545	YKXVOCHHXGQSMU-ACXHZZMFSA-N	551.412	6.805	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccccc1F	408824428	QERRXJUNYVPGJB-PXNMLYILSA-N	595.181	6.457	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408838578	GIVPFROGJUOTCV-ATZGPIRCSA-N	588.472	7.444	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)c1	408838751	HWJJMRXJFYTSHP-XJECJHNESA-N	660.977	8.169	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408840347	AUJZTDLUPQXLKZ-PUHLOBNQSA-N	667.914	8.005	50	40	KKGB	
COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OC	408846384	KEBHRFSYNVCPRO-WDZFZDKYSA-N	503.123	5.161	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408860093	RVYJYHOZUHJWFH-KULFSUQXSA-N	755.902	7.741	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(F)cc2)cc1	408861222	ADHFMDCDBQSNMH-KCSSXMTESA-N	566.054	5.712	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2cc(Cl)cc(Cl)c2)cc1	408861389	RKIIZVLGHHBIJW-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccccc1Br	408886773	IXUICLBCMFCIBX-WOJGMQOQSA-N	574.244	6.874	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1OCc1ccc(Br)cc1	408886997	KTFXCKNUKKUADO-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1cccc(I)c1	408892972	DOYIGHFDRJCPTM-CXUHLZMHSA-N	563.178	6.363	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OS(=O)(=O)c1ccccc1	408895533	NFOQCAHEWVKMFK-GZTJUZNOSA-N	746.215	6.837	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904113	DZONPDAKIKQYMZ-ZRGSRPPYSA-N	620.197	6.051	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc(C)cc2)cc1Br	408945370	KOFSANIHAQOERV-SSEXGKCCSA-N	681.609	5.230	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(I)c1	408946978	NEQYPPXYCNAASA-MHZLTWQESA-N	763.452	5.518	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	408955723	OZVXDLIWCSRSKL-OOIMYDLUSA-N	606.476	5.424	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)NCCc1c[nH]c2ccccc12	408956620	XVJIBJQPOSUZOB-BKUYFWCQSA-N	518.386	5.914	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1F	408965167	UFUAPZNWAOYCDY-XKJRVUDJSA-N	572.296	5.801	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408970647	JOQDURBWABNFKA-UPLIFJINSA-N	694.413	6.852	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408971744	KNAZLGDGXGPEED-ZWDQDQBUSA-N	635.386	6.580	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408972561	VFQANYUPBKZULE-ISOKAZHDSA-N	528.436	5.037	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408973000	RGWHNLMFFNAXGI-HNZKSSIESA-N	663.396	6.365	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1	408973625	ZQLLQIYYSDJSER-NUOGGNPJSA-N	604.534	6.526	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(Br)c1	408983191	FZYHFWZUZHVKIW-WQRHYEAKSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)ccc1OCC(=O)Nc1ccccc1C	409010256	BHPMUHNLWXMQOF-VVEOGCPPSA-N	564.853	5.901	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccco2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409015185	YWEBIBYNVRXRFM-APTWKGOFSA-N	541.648	5.928	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)c(Br)c1O	409016467	TZFOACMZPLGTPN-YXSASFKJSA-N	502.546	5.089	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)cc1)c1cc2cc(Cl)ccc2o1	409018864	XEGAMMVGBIJSSH-ZMFRSBBQSA-N	530.749	6.034	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)c1ccncc1	409036289	QTCREXXFZNURHL-QSHAVFIESA-N	567.432	5.355	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)cc1	409049355	QMTGKHZZWPLNKF-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC	409050513	WRGYDJYKQDTAQH-LJUMEUDFSA-N	576.447	5.769	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409051251	AZJHUVUFTWWPCA-IPBVOBEMSA-N	556.671	7.069	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12	409067054	JAMMKYVKXHKFOC-MUFRIFMGSA-N	570.896	5.597	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409118859	QNFBYSYUVUOYOZ-IZYHBKOJSA-N	718.612	5.961	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409132893	KTSBTPIZJKESIS-KVAAJVFYSA-N	630.981	7.188	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409135914	WLDKDTYZQJFUBH-NRFANRHFSA-N	562.645	6.368	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc5ccccc45)c(Br)c3)cc2c1	409188255	XUSONMASTIVKCZ-ZMGVVAQMSA-N	577.862	7.744	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c1	409189353	JWGPRMYDSYRRLR-UNOMPAQXSA-N	526.228	6.645	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc2ccccc2c1	409192444	XMQXRDQXYHLKQT-XKZIYDEJSA-N	552.412	5.998	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	409224133	KTXUGVHFBUKSAY-QCAUCJOGSA-N	598.999	5.892	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409247368	BSDFSUXBTLZILT-CIAFOILYSA-N	505.958	6.345	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409265144	SKQXCBIXWJVPKY-SRZZPIQSSA-N	538.431	5.941	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409271751	MQYOLOBWGRGTIU-MUXKCCDJSA-N	524.961	5.045	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)ccc1OC	409317482	UHPPAPAJOSJYES-MBTHVWNTSA-N	658.898	5.282	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OCC	409321095	RQBGGJJQXYYKDU-UHBFCERESA-N	541.000	5.577	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372132	SFKQJKUGKRIUTJ-IUXPMGMMSA-N	504.167	7.307	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc(C#N)cc1	409372316	KPPINXJKDMUKCI-FMCGGJTJSA-N	638.246	7.564	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1	409372706	HESBINQWPFRQGA-AMVVHIIESA-N	558.259	7.261	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OCC)c1OCc1ccccc1Cl	409374128	YUNFLRSIESNMCN-RHANQZHGSA-N	507.974	5.647	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409386008	NGBGYMMCRIVCSX-UVHMKAGCSA-N	554.968	6.113	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409394853	GSTOGVWLBRZGQU-UHFFFAOYSA-N	771.846	8.031	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409396762	AWYQOBKFPLNDFF-UHFFFAOYSA-N	546.385	7.264	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396885	CLWCXWOWKRRTNL-UHFFFAOYSA-N	626.418	8.152	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409404355	PYWGTCTZLDRHNH-AEUUOICLSA-N	720.520	7.130	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	1529547922	RPPVTXLASJZLOD-RQQSEGDXSA-N	677.610	6.611	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1	874460	RYFJCEMSIGVAKX-LJAQVGFWSA-N	538.673	6.019	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	935234	DNSRARIWDBTRQC-NLTRVXJZSA-N	533.009	5.033	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	6191026	VSANTMCURJOKBY-HSZRJFAPSA-N	511.500	5.174	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	8399171	FAQZLXHWHLUXIY-AREMUKBSSA-N	578.919	7.053	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1OCCOc1ccc([C@@H](C)CC)cc1	8861586	RYPYSEFDPKBWRN-NLTKLDOMSA-N	528.700	5.459	50	40	KKGB	
CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc(Br)c1O	9693506	AENASOLQCMCHHE-GOSISDBHSA-N	514.445	5.390	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2cccc(Br)c2)cs1	11852438	LTFIVGPLUWJMSR-JVWAILMASA-N	579.519	8.795	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1cccc2ccccc12	59435252	SFXQGZUVWGCADE-OCSSWDANSA-N	511.603	6.201	50	40	KKGB	
CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC/C=C/CCCCCCCC	59696364	LVWSCSGKAPKSBZ-XPWSMXQVSA-N	659.137	15.252	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	59858042	NWNDOAMPBTXNPR-ZCTHSVRISA-N	548.064	5.649	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	97950388	NCLAISCXYZIKRT-PMERELPUSA-N	530.653	6.546	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccccc1Cl	97961070	PLFPZUYHHSWRTH-WWGYQXRNSA-N	629.088	6.084	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C\c2cc(Br)cc(Br)c2OC(=O)c2ccccc2)cc1	97962871	XMKJHULUOMSWQV-WKIKZPBSSA-N	545.231	5.301	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@H](Cc2ccccc2C)c2ccccc2)cc1	97962953	PYBDNCVHYIRMFN-KWAQJPELSA-N	591.527	6.310	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3ccc(Cl)cc3)s2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccc(F)cc12	98007259	USTQHMMDJCHLAT-AREMUKBSSA-N	565.055	5.034	50	40	KKGB	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3ccc(COc4ccc([N+](=O)[O-])cc4)o3)C3=C2CCCC3=O)s1	98007267	XPNWOLJREPTWBF-JOCHJYFZSA-N	564.649	5.424	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100129650	RIDXFAZWJSCEFK-FDVSRXAVSA-N	559.475	5.335	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	100232877	ZEGPEHFORABGFA-WQRHYEAKSA-N	546.248	7.279	50	40	KKGB	
CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C1=O	100951220	QXFUJKIULWGKHX-OVVQPSECSA-N	508.622	6.029	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(F)cc2)cc1	100989341	RCDWPBWMXHVWLJ-RKZIHRPTSA-N	526.420	6.506	50	40	KKGB	
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1	100990804	BUPJSHNQONTXLZ-FBKQIBBUSA-N	536.245	5.201	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	101409907	ZGTWKQRYVKUPGX-MUFRIFMGSA-N	562.376	5.431	50	40	KKGB	
CCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C1/C=C(c2ccccc2)SS1	102643441	OPNIUZCQCNJSFI-VHXPQNKSSA-N	577.596	7.544	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c32)ccc1OCc1ccccc1Cl	103561982	HAUQHDSNCAJCLS-YTTGMZPUSA-N	628.125	6.266	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1cc(I)cc(I)c1O	150405292	ITVQOFZQIIRMIS-LUOAPIJWSA-N	716.730	5.140	50	40	KKGB	
CC(=O)[C@H](/C(=N\NC(N)=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	245240229	OWHOMSYXRWWYIM-AKKLMCJZSA-N	563.780	5.496	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550737	HCZQXIZVNLSSIB-CXUHLZMHSA-N	652.272	6.265	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1	408551710	MDKRZDMAUSHOLL-OVCLIPMQSA-N	535.214	6.863	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408610105	MHKOICDXBPNKFK-WKULSOCRSA-N	542.861	5.895	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1	408674052	XHCCMQPBZBFMHF-IXCJQBJRSA-N	587.426	6.700	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1cccc(F)c1	408676953	NZDNYNDVJCFTKX-MUFRIFMGSA-N	526.406	5.540	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl	408731763	MXFIERNRRJUAIO-IURWMYGYSA-N	580.432	5.103	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCc1cccc2ccccc12	408734786	DVKACWUVXMTOJS-ODNPBWNPSA-N	620.503	6.808	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747455	OEHNAPYINUGSFR-SXGWCWSVSA-N	564.636	7.129	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747842	UOARTQWWAUDFFC-SXGWCWSVSA-N	672.542	7.594	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12	408751346	ZDZCGIHRQULGLH-XICOUIIWSA-N	551.042	6.467	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408756139	XVIIYYIUOAHCSL-RPPGKUMJSA-N	572.264	5.605	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408771347	FVFHKBMQDAYEMF-KQWNVCNZSA-N	523.434	7.376	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)cc2)cc1	408778461	GDUMIGCCBIJGGA-BIZUNTBRSA-N	539.657	5.910	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccc(Cl)cc1Cl	408785767	BTMXZCIUFUSWKB-YNFMAFFXSA-N	511.327	6.754	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1F	408791396	XAVPCORDINFREA-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(I)cc1	408795716	MUUIBPUEUIUSGC-RGVLZGJSSA-N	572.830	6.695	50	40	KKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	408801336	AAGQXWCLRLYUCZ-VEJKBTLKSA-N	569.237	5.463	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1	408802774	HGNUCSACFWDJFE-RGVLZGJSSA-N	525.388	6.303	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408821916	AIFITDNZPINJIB-OEAKJJBVSA-N	685.345	8.310	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccccc1	408824805	HTPAXOQUHBLSNZ-PCLIKHOPSA-N	617.927	8.205	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(Br)cc1	408830759	YVYMGXJMEWLTIA-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)cc(Br)c4O)cc3)cs2)cc1	408841889	HCAZIKUOXUEZLT-KKMKTNMSSA-N	586.309	6.857	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)Cc1ccccc1	408844081	OLEBIHCIJIWMIV-FMFFXOCNSA-N	556.018	5.903	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408852507	GQQCTYDNWPSZCZ-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408852777	WHBJMPAYDJNPMW-KKMKTNMSSA-N	567.223	6.406	50	40	KKGB	
Cc1sc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c(C#N)c1C	408853034	YDQPVZXOLUSGTA-FZKWRIDDSA-N	531.685	7.174	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(C)c(Cl)c2)cc1	408864005	WFKUAEIPZYOXQO-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1Cc1ccccc1F	408877332	UWOGNEWYQHKZOO-VCHYOVAHSA-N	560.794	6.537	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc(C)cc1	408884556	UVJNOFRWNKJGRL-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C	408888141	XFUSJSQNXXFOBL-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408890525	VBPDERCRPPVGQU-OQLLNIDSSA-N	537.808	5.969	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Br)C(=O)Nc1cccc(Cl)c1	408891063	KRWHHBPSHHQASY-LICLKQGHSA-N	546.646	6.990	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccccc1C	408893997	HXLHTRJVKZNTPZ-GIJQJNRQSA-N	556.800	6.452	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc(I)c2)cc1	408898413	LADRDQSNIJGFSN-DHRITJCHSA-N	563.189	5.345	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OCc1ccc2ccccc2c1	408905270	WKHCZEVJVHCWAT-CAQPMQTCSA-N	558.476	7.382	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1C	408925938	VCILHGHLAHAMIJ-REZTVBANSA-N	546.794	6.997	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C#N)cc2)c(OCC)c1	408944944	JWUWLOMCKNBHSV-PMERELPUSA-N	706.619	5.183	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)c(OC)c1	408947139	ALZLUKJTOHFAFB-MTYJQCMISA-N	701.574	5.910	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12)c1ccc(Br)cc1	408958626	ZNPVSZHZMVEVHD-RRVLDDOMSA-N	590.477	5.411	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408965706	LPMCMVRGXXAPJR-UVHMKAGCSA-N	538.900	5.644	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(C(=O)O)c1	408968324	VKMHEBPERPZFQW-VVEOGCPPSA-N	520.891	5.799	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408969388	NBBSOKXTLPZRDS-IHJPVAQQSA-N	678.395	6.234	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408977417	DFYACEXJXKBFEM-ZRZCVKMRSA-N	617.731	7.165	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1	408995736	DMKIFVCVWVRXAB-HNSNBQBZSA-N	572.017	5.983	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409032087	IENPQZQNZKSITE-AABVJFSESA-N	607.950	8.857	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	409045175	FUZBXLWRPIZWGE-WUXMJOGZSA-N	518.127	6.175	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409065713	KQHKXKANOHRJHX-XNTDXEJSSA-N	501.347	5.975	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1	409073484	ZGIAVQRFIQRYNW-RVDMUPIBSA-N	535.778	5.555	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	409073934	OFAZCQDSAXGKGB-XNTDXEJSSA-N	578.238	5.231	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409085073	RGADTGYSSLIDDL-RIYZIHGNSA-N	536.298	6.007	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Br)cc1	409190757	QMLVRSHBHKXAMO-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409209308	IVNJCFZKZNYWIN-GRSHGNNSSA-N	571.327	6.149	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409219938	RWZXDGOPVAJONV-JKDNYCPDSA-N	592.608	5.937	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccccc1	409224638	LMBJLRFVGJJWET-UHFFFAOYSA-N	527.964	5.584	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)n1	409238654	LJLGCZRPZMWMQY-OPEKNORGSA-N	658.303	5.124	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	409246809	DTNDYIXBLURJCJ-HAHDFKILSA-N	533.525	7.377	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1C	409250506	MPJXVMCRSIEGJE-YLYVUXRMSA-N	767.931	9.130	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2C)cc1	409255670	IINFFJKKPVMBBC-ODLFYWEKSA-N	583.280	6.392	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)c1	409260690	USNQUKJWWBBLNG-QDTIIGTASA-N	500.382	5.400	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409260845	XLSSNSLHJQYQAI-KOKCXWAISA-N	745.643	7.955	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)c1	409271302	UMHPJWWXDRDHAR-ODLFYWEKSA-N	504.930	5.428	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1OC	409302581	JLVUTRKIZSWUTL-DICXZTSXSA-N	540.370	5.274	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409366154	YJCMJKMAZBUHHQ-MHWRWJLKSA-N	558.791	5.813	50	40	KKGB	
COc1c(I)cc(/C=C(/C#N)c2ccccc2F)cc1I	409372481	YIWHGJPKCSLHMN-WDZFZDKYSA-N	505.068	5.108	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc2ccccc2c1	409387138	UCCMFMGGEMMXEW-FJEPWZHXSA-N	637.455	6.919	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	409391238	IGBXOTSNWQPOMW-CAQPMQTCSA-N	563.879	6.972	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccco1	409396338	XTWGTODUAILXKD-UHFFFAOYSA-N	641.703	7.589	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)[nH]c12	409396476	YQYAXUWGEFNRJI-UHFFFAOYSA-N	661.350	7.660	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409398079	QGQLUGDKIZHMBT-UHFFFAOYSA-N	572.415	6.572	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409399356	ZVPHTKYSEWSHCH-UHFFFAOYSA-N	567.985	6.209	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1Oc1ccc([N+](=O)[O-])cn1	409405647	UFKDSBMHRWEJAO-QMRORBIVSA-N	674.508	7.287	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	409406542	XBSGDODOWCYBHW-FQEVSTJZSA-N	624.488	5.741	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(OCC)c1	1529548335	CTQLNCSLWFJNEQ-RNMNIPMUSA-N	655.148	5.342	50	40	KKGB	
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccnc2ccc(OC)cc12	2171430025	AXFIWPFNGAOZKQ-QQNOHPQFSA-N	611.726	6.369	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1	1790118	YQSAZUKKTZMOMO-CKVBZJJFSA-N	522.945	5.452	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1	2314413	SMYQVULNOUIWTH-RLBGMPNZSA-N	525.446	6.484	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)Nc1cccc2ncccc12	2632855	OFHNJYOPUCIZFV-ZXVVBBHZSA-N	511.581	6.938	50	40	KKGB	
N#CC(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)/C(O)=N/c1cc([N+](=O)[O-])ccc1Cl	4083662	MAJVPOJSBRZNQB-KGENOOAVSA-N	506.949	7.600	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)cc1	6445706	YKFAOLVKJRXJML-FPVDIDMMSA-N	560.857	7.304	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(F)cc1	8812082	RBIFHTFFGQNSIA-BRJLIKDPSA-N	506.169	5.694	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1	12273750	KYOMJMPBAWEAKT-NLTRVXJZSA-N	515.566	5.067	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	13297909	UWZSYEIMJPOUJV-NDEPHWFRSA-N	529.706	6.475	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	19939866	KSMDSCDCCUMXDN-DEOSSOPVSA-N	510.059	6.058	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccc(OCC)cc1	20100177	AQZRZFNLGLSWLJ-RUZDIDTESA-N	524.042	5.536	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)c(C)c1	20194591	IMMKJBUURFSCPB-RWPZCVJISA-N	521.402	5.604	50	40	KKGB	
Cc1cc(C)c([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1CN1CCOCC1	66089578	IHMWFSMZXBWBEW-NDEPHWFRSA-N	531.100	5.730	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C/c1c(O)ccc2ccccc12	97966476	NAQFEFXTGQBDNM-GHLNVSQTSA-N	677.589	7.443	50	40	KKGB	
CC/C(=N/NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1ccc(OC)c(OC)c1	97980808	RIFGXOFOWKKHKK-IADYIPOJSA-N	590.312	6.660	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	98048521	VGXIWCARKKKPPH-DEOSSOPVSA-N	640.993	7.677	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	100063316	TXCHZRCCONXRGM-KVSWJAHQSA-N	556.671	6.690	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccccc1Cl	101563751	CWYZFXZQEKGYDR-LJAQVGFWSA-N	580.109	7.261	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c1	101720381	LMSFLKXDSISSGK-OEAKJJBVSA-N	604.444	6.976	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1	101883624	ZJLVTLFHFAHBGA-BCHBDCPOSA-N	563.191	6.753	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1)c1ccc2ccccc2c1	102436900	YKBDCHMVQWCOGL-VLPDKPCNSA-N	569.134	7.015	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)COc4ccc(Br)cc4)c3C)sc3c2CCCC3)cc1	103795668	MCEAALBNXNMPRN-ATZGPIRCSA-N	619.585	6.887	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccc(Cl)cc1Cl	103857732	RPDHAHGDBWAPMM-OPEKNORGSA-N	528.255	6.559	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	105586491	IRMOSWOVXZCWRU-OCSSWDANSA-N	532.021	6.883	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c(C#N)c1C	108147690	RAYPAMOYVGLUKA-DJKKODMXSA-N	613.917	6.827	50	40	KKGB	
CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341284	KIZPQFKLYBTUIT-ZETCQYMHSA-N	644.147	8.770	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341839	YVMFDGBTTURNEA-IBGZPJMESA-N	912.485	14.722	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342184	IZCGTPMEKPNCLR-UWTATZPHSA-N	892.044	10.928	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCc1ccc(Cl)cc1Cl	164577647	LEHGCXBPYOMSCU-LUOAPIJWSA-N	634.095	6.712	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccccc1	408540579	UDWSTYFEXFMPFU-YZSQISJMSA-N	574.902	8.723	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C	408545999	BRZIOMQJTKKFTN-UYRXBGFRSA-N	564.641	6.188	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408569165	ZGABDOSCJHFSLQ-KPGMTVGESA-N	592.361	7.724	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	408582054	LMQDMURUIVMBKV-LZYBPNLTSA-N	626.325	7.100	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc(Cl)c1OCc1ccccc1	408603660	GTFUTBUYZLZQFK-OAQYLSRUSA-N	508.018	5.431	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	408610565	OFCYMZZAUMGLMD-KNBZMSCYSA-N	544.744	6.333	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408616488	ZGNGBPMNQARFEX-WKULSOCRSA-N	530.408	5.459	50	40	KKGB	
O=C(Cn1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21)Nc1ccc(Cl)cc1	408676739	MZPRTOSILBFECU-OCSSWDANSA-N	500.002	5.298	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccccc1Cl	408711767	JPHGZLGWSGJZGZ-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Br)cc1	408747456	OEUZAWOVOOOYLU-CAQPMQTCSA-N	608.330	6.485	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)ccc1I	408747669	RIDQUSVLYZZXKC-GXBUFBABSA-N	676.352	7.951	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747939	VYARXWXTENYJLS-SXGWCWSVSA-N	672.542	7.594	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(I)cc1	408750890	TUGQCKPODKGDFQ-KCSSXMTESA-N	671.329	6.028	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(F)cc1	408790280	VKWXLKIKQFEFGN-LZYBPNLTSA-N	550.211	7.028	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408798975	XULHWYVLFRJSDC-CIAFOILYSA-N	505.958	6.388	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Cl)cc1C	408810912	KPVPXYOQFLXEFT-WPWMEQJKSA-N	523.032	7.661	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408819715	RKAFPLGOTGBSKE-MTJSOVHGSA-N	555.856	6.312	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc(F)c1	408823297	NQBNDAWJZZJEKC-ZDLGFXPLSA-N	513.338	6.251	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408824925	BLNFNICTJUVXQR-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)c(OC)cc1Cl	408828756	MDIZOELFSDPPQF-REZTVBANSA-N	592.273	6.906	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc(F)cc1	408831976	QLSDMIPNVHIZNT-YDZHTSKRSA-N	670.362	8.997	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408833677	UAMJIHCIHJVTTE-OEAKJJBVSA-N	604.446	7.614	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408835238	YAPGHJRYRXJVPO-ZVHZXABRSA-N	707.375	8.222	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1	408838675	ZFDCPQZVJAANNI-DYAMWBBFSA-N	543.801	5.582	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1	408839041	LZDBLMJROHPUKB-KVAAJVFYSA-N	602.499	7.752	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408845236	LPNQCVGAVFXIBS-HYARGMPZSA-N	606.435	7.415	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)c(Br)cc1OCc1ccc(Cl)cc1Cl	408845291	LVXPERIBLHDWKS-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc2ccccc12	408851463	ZQDGOOVZURVCSR-CAQPMQTCSA-N	539.429	7.420	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408854835	JWHPKTXKPDWYBN-RGXNXFOYSA-N	558.476	6.943	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(Br)cc2)cc1	408858137	MOWORADAYSRYEP-KBVAKVRCSA-N	658.416	6.273	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408859816	ZKWCQNSUFGASNM-QHDYCIAZSA-N	574.637	7.103	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408863627	NYGSBZBVVMBYCS-ATZGPIRCSA-N	645.952	6.010	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408864174	UHYADCIIBCKQQF-NNLKUIAGSA-N	719.057	7.850	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1ccc(Cl)cc1	408869210	RSCCEOQQONSJCO-FYJGNVAPSA-N	586.857	7.030	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Br	408881426	LASKZOVBYAPSMB-RGVLZGJSSA-N	570.281	6.962	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OC	408891573	SPEUUEXGMTZINI-NYYWCZLTSA-N	515.147	5.617	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408897978	JPMYKCKYNHFPKB-BBUXEPKYSA-N	659.621	8.214	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(OC)c1	408950827	HRJRPNWSEUSRKZ-FAQSDZBQSA-N	641.508	5.301	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c([N+](=O)[O-])c1	408951319	SYWIEIPDVBKJIP-MHZLTWQESA-N	761.449	5.584	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OCc1cccc2ccccc12	408951325	INWODHGBIULMRC-IMKYALTBSA-N	692.769	5.885	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408956701	YAJOPFNCKUPGDG-XHPQRKPJSA-N	587.749	7.034	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)c(OC)c1	408958375	YFADMXYAQLLZAQ-HVJLQFNCSA-N	720.404	6.064	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408969304	LKGONYQSAHAYRR-DVAMMYLFSA-N	556.490	5.941	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21	408970436	HTUJXMXALUVQDF-HOSHXTMMSA-N	589.520	5.268	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408996974	FSXHNNWWZAZQPD-GESPGMLMSA-N	655.985	8.177	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(I)c1OCc1ccc(Br)cc1	409000838	YTPINJZKYVAFGC-MKWJPVCQSA-N	874.333	6.286	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccccc1C	409014351	XLOQXFVKYNWMJG-UCMJSZAQSA-N	537.616	5.607	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409015834	BSQDHCKLMMNRTQ-JEPNHJGPSA-N	552.675	5.730	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409024674	NAKDPIADOJGSKF-DFKUXCBWSA-N	567.708	5.158	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)cc1	409049543	WHCVMORDHNTXEB-VCHYOVAHSA-N	604.682	6.776	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl	409059887	PCCRMXJNJVVTKW-IPBVOBEMSA-N	579.720	6.295	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)Cc2ccccc2Cl)cc1	409062852	BSSUACZILRHYJQ-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	409065543	JGFCGJDZEJXGCE-LFIBNONCSA-N	517.788	5.416	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)c1C#N	409067847	ZVWKXALDTZSWMU-INRUPRTJSA-N	613.831	5.228	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1cccc(F)c1	409069524	LFAANEPORGMGMB-LPYMAVHISA-N	501.514	5.986	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409073263	GNXWSIJNWRDGSF-XNTDXEJSSA-N	537.808	5.969	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c(Br)cc1OCc1cccc2ccccc12	409089207	YSDQYZWRKNHYKS-IPPBACCNSA-N	584.264	6.422	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1c(Cl)cccc1Cl	409147651	ZBQXTKDXJNMNLJ-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409220182	VINBGHCYUBKYTQ-MKSWUMCQSA-N	534.528	5.230	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1cccc(C)c1	409223554	GCIFTYNXQBDPNU-UHFFFAOYSA-N	575.543	6.258	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1	409224375	JPPQCFWYLPYTBR-UHFFFAOYSA-N	587.386	5.593	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409225953	RQEZQGDSPGZMTI-LPYMAVHISA-N	609.464	6.178	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409228127	UKYKWQPUGYRGLQ-BYINCCNUSA-N	574.302	7.518	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)n1	409229752	UPJYECJXHXNYGD-VFLNYLIXSA-N	569.912	6.484	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409245194	OUJDRWHEMJIQPH-STZFKDTASA-N	613.427	5.112	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OC	409314586	LMSHQPFHNMNNGO-UHBFCERESA-N	620.871	6.260	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC(=O)C[C@@H]1c1cccc(Br)c1	409324776	UZZRFNXAJLYAIT-CQSZACIVSA-N	511.228	5.466	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409376310	WYQQKZWXIRUEHB-WQRHYEAKSA-N	595.406	5.328	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2I)cc1	409385973	MXIXPUKGAWDYIZ-KKMKTNMSSA-N	697.292	6.670	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(Cl)cc1	409387207	UTCLXSOANKSCRH-XODNFHPESA-N	588.867	6.967	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394741	FHKDDQBACOLLRM-UHFFFAOYSA-N	654.291	7.729	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccco1	409395327	MHNJSEPAORFTQT-UHFFFAOYSA-N	641.703	7.589	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409398457	TWSCHMBLQLLXHN-UHFFFAOYSA-N	602.474	7.450	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409399282	YWFGBGVEMWGPKC-UHFFFAOYSA-N	605.909	7.844	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cn4)c(Br)c3)o2)cc1	409401921	IRNGNYQLMZRKEA-PMNVOCJDSA-N	709.351	7.651	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(C)(C)C)o2)cc1	409403440	MYQDMPSLCUURKR-LQNQUEJISA-N	530.581	6.116	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3O[C@H](C)C(=O)O)o2)cc1	409409478	PJSYWIDXAKCVKM-TXLLAZTHSA-N	614.880	6.298	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1	1529548337	CVNVXXWZPNXGOC-JKYKOXDNSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	1529549198	VCFHDGJDVFSPSN-QLGGRFKNSA-N	672.547	5.366	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1cccs1	9241103	NXFFSKXBGAUAJG-XMMPIXPASA-N	508.068	6.678	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1cccc(Br)c1	9693445	JKOYOTKWJXAANZ-KRWDZBQOSA-N	505.235	5.431	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCCOc3ccccc3)c(OC)c2)cc1OC	9731104	PROCNKKWBNKPNO-DEDYPNTBSA-N	510.384	5.997	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1C	12251109	KSFDZZHUJMEIHV-SANMLTNESA-N	516.066	6.755	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Cl)c1OCc1ccccc1Cl	12556028	YZDKMUARNMAFDE-LZYBPNLTSA-N	514.321	5.740	50	40	KKGB	
N#C/C(=C\c1oc2ccc(Br)cc2c1Cl)S(=O)(=O)c1ccc(Br)cc1	16750559	GDVHGSOJPQEBAN-MDWZMJQESA-N	501.583	5.950	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1	20060047	PKUKYFNAEHERLA-VFCFBJKWSA-N	514.047	5.091	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(C)(=O)=O)cc1	20209147	SEUZPOVUEVMIBF-ZCTHSVRISA-N	529.662	5.459	50	40	KKGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1	29503269	BYGAICWCJGZNCU-UHFFFAOYSA-N	653.953	5.323	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	59485135	KRJJXAKDYBFTQT-ODLFYWEKSA-N	503.223	7.798	50	40	KKGB	
Cc1cc(C)n([C@H](CCl)CN(Cc2cc(F)cc3cccnc23)Cc2cc(F)cc3cccnc23)n1	69779038	DFGHLGWMTVQMAS-AREMUKBSSA-N	506.000	6.357	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2nc(-c3ccc(Cl)cc3)cs2)C1	97945304	SUEICVCBNJAYRV-OXQOHEQNSA-N	521.397	5.379	50	40	KKGB	
CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1	97959738	DWHGAGJAFNWXDC-MDRZYHCXSA-N	726.378	5.242	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(Br)c2)C(=O)N/N=C/c2ccc(Cl)cc2)cc1	97961074	DDQLNOJNGNMPMG-WJQBCWGLSA-N	525.834	5.090	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)cc1	98001368	GEDDDEQEEQKECO-UVHMKAGCSA-N	545.231	5.301	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100120599	ZPURHUWLYLWDMH-IBBHUPRXSA-N	542.919	8.111	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2cc(Cl)cc(Cl)c2)cc1	100139255	HDYLROOZWYGYED-MUFRIFMGSA-N	526.445	5.801	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)o2)cc1	100211162	WGIZADMZKVOTDV-KBVAKVRCSA-N	600.480	5.776	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	100241888	NMEXVTADWBOMFN-RGXNXFOYSA-N	558.704	5.142	50	40	KKGB	
CCOc1ccccc1/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3	100966924	ZRRASVPNXWXWFB-MUFRIFMGSA-N	532.691	5.276	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1	101737509	VXSXJRCMSSZACV-SGFZWYBVSA-N	558.685	8.373	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2C#N)OC(N)=C(C#N)[C@@H]1c1cccs1	102402241	VGFVWEXIVIZNMQ-AREMUKBSSA-N	617.177	7.481	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)N2)cc1	102807520	GQRNOHBLIPVESJ-VWLOTQADSA-N	553.562	6.258	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)N=C3CCCC(O)=C32)cc1	102882532	MUQWSACSDCJYCQ-RUZDIDTESA-N	508.043	6.688	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccc(C)cc1	103896971	XXVCSIMBEQQJOD-QCFMCPCVSA-N	603.144	6.199	50	40	KKGB	
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)C[C@@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1	115598746	BQUNSIYVDVZZEA-CZNDPXEESA-N	552.723	8.887	50	40	KKGB	
CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341636	MJYBJBLXWGYJOO-AWEZNQCLSA-N	642.322	10.230	50	40	KKGB	
Fc1ccccc1C1N(Cc2ccc(N(CCCl)CCCl)cc2Cl)CCCN1Cc1ccc(N(CCCl)CCCl)cc1Cl	150373383	HTBDJFOMHHCMIH-UHFFFAOYSA-N	709.392	9.107	50	40	KKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]4C[C@@H]([C@H](I)[C@@H]4I)[C@H]3[C@@]1(Cl)C2(Cl)Cl	150381492	LVKHCJHBNOEDKQ-FTSRJEEOSA-N	618.722	6.321	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c1C#N	164475079	ONGJZKBTRJKHBK-KNBZMSCYSA-N	775.179	5.488	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	408538285	KIYCAXVKZXRICA-GZTJUZNOSA-N	525.365	6.981	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1	408538700	PHCRSEXLKSVAJH-PKAZHMFMSA-N	553.058	7.669	50	40	KKGB	
CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1	408538816	CBJBLSQYBWFDFW-FSGOGVSDSA-N	539.470	6.760	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)ccc1OCc1ccccc1	408550139	BVOVGHYPIGFDQH-AEVGBRMKSA-N	762.428	7.756	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551470	CXHXTKWGORQWMO-NVNXTCNLSA-N	565.240	6.872	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408637789	BDOOFGCBRZSDDH-VQHPVUNQSA-N	662.118	5.064	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408659102	VOAFFNXHEYVZNI-HJHUVBBBSA-N	755.268	6.292	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)Cn1cnc2ccccc21	408691554	DTBHCAPXOSVRQI-NVMNQCDNSA-N	568.225	6.656	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2-c2ccc(-c3ccccc3)cc2)cc1	408724446	KMJFMKWBVQYYAN-AJBULDERSA-N	501.546	6.187	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1	408725104	JECJFHPKGYJATR-ZHZULCJRSA-N	507.384	5.981	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(O)cc3)c2-c2ccccc2)cc1	408740489	LAIAJAAAQRTUAI-PPOKSSTKSA-N	529.596	6.458	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1OC	408741701	RQADEOXNRCVSRF-MZJWZYIUSA-N	563.823	5.689	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)ccc1I	408747342	MONSPIGXUKQVCV-VULFUBBASA-N	515.395	5.595	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl	408760523	AECACABDWYJREQ-LFIBNONCSA-N	500.769	6.210	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408767389	WPHBNABQAGUQSC-GZTJUZNOSA-N	653.292	5.684	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(I)c1	408782232	GHFZYPQLHFDVMD-OKCVXOCRSA-N	649.860	6.008	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1	408783916	PFARDVLKBVGPHU-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1	408791447	XQHDCWAJYJSKNS-BUVRLJJBSA-N	541.401	6.514	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408792925	MMMNNAIUYBUOHH-ZVHZXABRSA-N	526.976	6.413	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408795109	KZGDVKVKDZOGQV-CIAFOILYSA-N	582.394	5.520	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408798900	XEPHEGXUVNEBEG-VCHYOVAHSA-N	512.349	6.425	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1c(C)ccc2ccccc12	408800078	KERRPFIPVDMCFB-YDZHTSKRSA-N	636.917	8.238	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1	408803240	MVBIEXQTMHOEED-YDZHTSKRSA-N	610.448	6.218	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1cccc(Cl)c1	408808242	FCHGRHFAJOSJMZ-VCHYOVAHSA-N	637.699	7.230	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC	408818964	ZDHONQFRGXPZJJ-MSXFZWOLSA-N	522.193	5.685	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc2ccccc12	408819464	SKQJZRSUNPBTJW-LJUMEUDFSA-N	543.417	7.090	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	408821690	AENSEHPVMPXTBQ-VFCFBJKWSA-N	559.065	8.505	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2cc(Cl)cc(Cl)c2)cc1	408830619	NWYYGUVXJCKAAV-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	408830889	OSFGISTTZOHLIP-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1ccc(Br)cc1	408838947	KQHAQZBSKKSHAL-HNSNBQBZSA-N	600.469	6.392	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(O)c(I)c4)cc3)cs2)cc1	408841440	GZEODOBBYUTYAD-KKMKTNMSSA-N	680.309	6.541	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)cc1	408847871	WJVTUJCMMNQHKM-BUTHZZEHSA-N	608.547	7.070	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1	408859921	VMCFIWRACZWYHW-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccccc2F)cc1	408872671	NXOZVOUWDLRTLB-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1F)C(=O)Nc1ccc(Br)cc1	408874141	ZBWKFGPDFOGEPC-LDADJPATSA-N	514.192	6.487	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408877790	UNSIWJNYOVTBOI-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccc(C)cc1	408879452	DMVVHRBQBJIUFZ-KGENOOAVSA-N	538.385	6.123	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OC(C)C	408880231	FKCLSAOBCMSRHI-WOJGMQOQSA-N	504.368	5.585	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1Cl	408880565	IGTZPWJJHPCTNQ-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1c(Cl)cccc1Cl	408881007	JWAWOKDMHAMXEY-OVCLIPMQSA-N	571.085	8.187	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC	408882603	RQBIHZHECPTQTC-JVWAILMASA-N	511.441	6.079	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc2ccccc12	408889879	KISJTRLQRQWPQP-UDWIEESQSA-N	690.706	7.827	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1O[C@H](C)CC	408905200	VBDDANYFAAKREJ-IFUVNARDSA-N	504.337	5.443	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)cc2I)c1	408922888	HKKQOXLAULCSCA-VCHYOVAHSA-N	746.124	6.934	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408939106	HZFIWAWPUSHBAB-DBFSUHOCSA-N	615.278	6.056	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408939553	AYKQGBVRDDYIID-HHHXNRCGSA-N	761.449	5.584	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1	408940083	BUAOOEINCYMFMB-JGCGQSQUSA-N	608.720	5.304	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408944457	MNSFRFHLNOXKOR-ULPWCQAASA-N	619.241	5.887	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408950981	SUDIATOTZKOONY-MHZLTWQESA-N	672.547	5.366	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(F)cc1	408953801	YEPNWMHEGHDGEP-JGCGQSQUSA-N	660.768	5.417	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccccc1Cl	408958033	XFTUDVSGNYIVJK-WKIKZPBSSA-N	613.677	6.449	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408969391	NBBSOKXTLPZRDS-SKUBVVPPSA-N	678.395	6.234	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc2c(c1)OCO2	408981854	DCFOFMAFQXOWHM-UWVJOHFNSA-N	616.839	6.505	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	409002763	PXCIQEQJAUATGG-PBGWEGILSA-N	731.443	6.641	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC	409006346	NFPQJSQCPQTFRT-BFHREJTJSA-N	615.038	5.968	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409017071	JRSIRANLHXXOAK-ULPWCQAASA-N	530.339	5.669	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@@H]23)o1	409032203	LORDUXATMLWHSG-AFHZOPTKSA-N	580.984	5.116	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)Cc2ccc(F)cc2)cc1	409061716	GNWPCYOKZQKMOL-BIZUNTBRSA-N	545.636	5.054	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2)c(Br)cc1OCc1cccc2ccccc12	409089524	MUJLKIBWFCWTCK-RHANQZHGSA-N	503.396	5.883	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)OCO3	409102132	UWAYHXQAJQIFNS-QFIPXVFZSA-N	574.200	5.877	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409114036	KFXXZCKNZGNYDE-RWPZCVJISA-N	547.902	6.631	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409123870	IMNOTRUOKSHLRP-RUZDIDTESA-N	540.491	6.264	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12	409179582	QJKPZVLRMHKGCV-NUEHVLEWSA-N	606.638	5.644	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)cc2c1	409187694	TXLVIMUADZFOST-MUXKCCDJSA-N	523.929	5.745	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409201464	NGMDCGSCXZFNHW-IPPBACCNSA-N	590.927	6.070	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C#N	409218041	SGZVJRFPDYLVNB-XODNFHPESA-N	544.858	5.804	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409219459	QUARDSGUTYBTOH-GZTJUZNOSA-N	589.273	6.718	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccco2)cc1	409224211	JABFMFLPRVINBV-RHANQZHGSA-N	501.926	5.097	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409224551	IFVYQJSNQDILMC-DBFSUHOCSA-N	554.243	6.566	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c2)c1	409227709	VICMYUOERZEJDB-UHFFFAOYSA-N	616.424	5.422	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccccc1F	409239329	MCWKXNRVXGRJPQ-QLTNSANVSA-N	570.402	6.192	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)ccc1OCc1ccccc1	409254824	GDZWKZPWYIGTNN-VHFSBPNMSA-N	709.435	7.588	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC(=O)Nc1cccc(C)c1C	409261423	BNHZHWCSLHDGQG-HAHDFKILSA-N	527.577	5.052	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Cl	409262683	GKQYSZFAWHCPHG-JAIQZWGSSA-N	508.405	6.482	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)cc1C	409263547	LPXGQMKUDHSORC-LPYMAVHISA-N	518.411	5.307	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c1	409267036	RPUVZVZYCAYJCU-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1	409312473	LIGAEPPWKNMMNZ-INIZCTEOSA-N	535.261	5.231	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409314609	LWRXABIJPMWJEO-CAQPMQTCSA-N	575.459	6.388	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	409323044	MJGAMSFTAFVRNA-ULPWCQAASA-N	639.728	5.972	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1	409363597	MLGPCHGAVBYGIB-CCVNUDIWSA-N	516.823	5.642	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1Cl	409369437	BSQBWVGRUZTXKR-BCHBDCPOSA-N	634.723	5.659	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409375438	KSOCMLFZWUHAQX-MUXKCCDJSA-N	528.378	5.077	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(OC)cc3)c(OCC)c2)cc1	409377789	JWOVYXCKCYELPG-XSFVSMFZSA-N	594.462	5.818	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)cc1	409395031	IZUMMOBBHGFTAG-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Cl)cc4c3-c3ccccc3)cc2OC)c1	409397904	PIMJGDUPEKIJMZ-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409403120	LXGOBEUPTWQVMG-WBIBEUCMSA-N	643.096	7.569	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)O	409404905	RIJNMMHFRZJQHJ-CPDSRJINSA-N	643.434	5.107	50	40	KKGB	
Cc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409410215	UAQXUEOLFSRNKR-RGXNXFOYSA-N	510.638	6.329	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3)nnc2-c2ccc(Cl)cc2)cc1	1833044	HCIXPQAXECQFHO-RWPZCVJISA-N	526.449	5.882	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1Cl	2304458	QTWRBLUEGFJDEU-GOHCDNDPSA-N	522.457	6.675	50	40	KKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CSc2cc(C)nc3c(C)cccc23)cc1	8400302	MADDMXLMOGRREE-KBVAKVRCSA-N	505.647	6.255	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1I	11852133	VIRRQADIRQZVHP-XFXZXTDPSA-N	519.682	5.658	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccccc1	12250221	NULFVFBAGPBFTO-HHHXNRCGSA-N	516.667	5.212	50	40	KKGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(O)cc2)cc1	13075787	LDWFWXYTSKAMHC-DPNNOFEESA-N	518.491	6.302	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2C)=C(C)N1	20347771	SEUWVGRKWPVGFN-MHZLTWQESA-N	512.635	5.857	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	28218018	GZRFUZGWKFKLOC-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OC(C)C	59116632	OJZAAWSHMXLADC-OVCLIPMQSA-N	500.418	5.603	50	40	KKGB	
COc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	59647410	BLFNRPXQIFLDOG-KVSWJAHQSA-N	568.251	5.881	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccc(C)cc2)cc1Br	59856973	OJKNSNTWYBJSRH-LQKURTRISA-N	558.498	5.235	50	40	KKGB	
CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1	97948887	FJRJXHPSHGBPRT-ZHSUKTGHSA-N	611.629	5.513	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126322	CPERVRKREVRGSH-KVAAJVFYSA-N	586.611	5.906	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccc(NC(C)=O)cc1	101427408	NFCKSSBWQPNHCJ-HMMYKYKNSA-N	528.590	5.267	50	40	KKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@H]3[C@@]1(Cl)C2(Cl)Cl	104255809	SUSUGGDVAULJNM-FTSRJEEOSA-N	524.722	6.241	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccccc1Br)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	104699100	UQYLUNGXUBKPLZ-FGXGQWQFSA-N	564.524	7.188	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)c2ccc(Cl)cc2)cc1	211050928	CKVNANGRFAWFOP-QNKGDIEWSA-N	591.089	5.337	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	245231524	FEUWOSJCNTXMPH-ASDZUOGYSA-N	561.041	5.189	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408540701	AZHPAFMHBGJIBU-JAIQZWGSSA-N	521.367	5.546	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)CSc3nc4ccccc4s3)c3ccccc32)c1	408541999	IVTDUYDUNGUITK-MUXKCCDJSA-N	514.632	5.328	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(C(=O)OCC)c1C	408546349	HOJIDPLKCGTOMO-FYJGNVAPSA-N	582.074	6.370	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C(=O)OCC)c1C	408547136	RRYTXBXQGQYGCJ-SFQUDFHCSA-N	522.535	5.297	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408551071	ASTINNMLLPWDNM-YBFXNURJSA-N	605.514	6.141	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Br)cc3)cc2Br)c1	408581324	WDRMQCSUMUPSQE-XDHOZWIPSA-N	526.228	6.602	50	40	KKGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741390	IPNDVZPKRQKUMD-NPZJCNDASA-N	537.623	6.566	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1	408741844	LLISNOYUQWAWSM-WOQJSSNBSA-N	591.711	8.553	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1	408743496	AQFVCLQFTKTPFL-WQRHYEAKSA-N	558.347	5.572	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408746885	XHTIPZXGKQCGLU-SXGWCWSVSA-N	581.091	7.643	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408764071	LCODDKJPMXUBTO-CPNJWEJPSA-N	618.449	5.320	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccccc1C#N	408766587	VTGPSXPRJAYGMA-QRVIBDJDSA-N	528.406	6.183	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1	408767135	JFWKHUXFPUXTFT-OVVQPSECSA-N	504.439	5.346	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1	408777729	HGRDTWGSQXONHM-WQRHYEAKSA-N	576.793	6.607	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408790816	REHBJBGQRKPZSW-PCLIKHOPSA-N	557.021	7.581	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccccc1Cl	408792651	BSOAWKKTURRGQW-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C	408798843	GBBHAABCTOCOTB-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408799060	YAGUFDUZXJZKHW-PCLIKHOPSA-N	573.476	8.096	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(C)c(C)c1	408802112	DCDLGWWOHZGJFR-ZMOGYAJESA-N	533.466	7.206	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408822931	CSQAVNLOFQPLJH-YBFXNURJSA-N	633.269	6.743	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408824539	IEKAWVKFARMMLL-HZHRSRAPSA-N	591.864	7.945	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1	408827199	KLOWXOUALJREHY-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c2ccc(C)cc2)cc1OC	408828300	LOBRHZAKHVTHJZ-ALQBTCKLSA-N	682.593	5.708	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)cc2)cc1	408828372	MPZDJIWMHRCGMA-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(C)cc2)cc1	408830382	RNRFJTIINPXVJW-BIZUNTBRSA-N	594.158	6.295	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408832262	RTMMHXHTYRKOAN-YNPASXIJSA-N	831.200	6.973	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OCc3cccc4ccccc34)cc2)cc1	408835366	YNXMHZWMIPZFBY-VUTHCHCSSA-N	559.065	8.505	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccccc1	408842302	IVEPIKFHLXZKDF-HNSNBQBZSA-N	548.668	7.214	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	408843727	MWLMLLGCCDEEKP-KVAAJVFYSA-N	666.912	6.364	50	40	KKGB	
O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408844289	NFACTNQHCDBEDV-RPPGKUMJSA-N	527.831	6.439	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4cc(-n5c(C)ccc5C)ccc4Cl)c3C)sc3c2CCCC3)cc1	408849628	XFQZLCSNQZDNIH-UHFFFAOYSA-N	638.237	8.420	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(I)c2)c(OC)c1	408868418	QBYCHDSVGIXXKT-WSDLNYQXSA-N	568.411	5.419	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3cccc(F)c3)c(OCC)c2)cc1	408870713	XCZKVQNTCCPPCY-UDWIEESQSA-N	523.402	6.522	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)c1	408876103	JLRKUPBLHSCQFD-UFWORHAWSA-N	653.300	6.426	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1Cc1ccccc1F	408876266	OGTMYTRQXHVWOK-CIAFOILYSA-N	507.403	6.740	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3cccc(I)c3)cc2I)cc1	408880531	KIXMMKQNWIECMW-RPPGKUMJSA-N	722.102	6.152	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccc(Br)cc1	408886623	HQJRIEATEWTEIO-NDZAJKAJSA-N	529.390	5.055	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1OC	408898726	MQFOPSNZFGJPEI-NTEUORMPSA-N	539.167	5.173	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OC(=O)c1ccccc1	408900187	TXZLIEYGJUZLJJ-UVHMKAGCSA-N	536.209	6.138	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408905036	SGOODWVELFZMHY-ULPWCQAASA-N	562.793	7.043	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408919622	ZHYXNIICGOPUSQ-SHSKVIJMSA-N	516.392	5.221	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC(C)C	408970841	LCOGCHINNDXRLB-VSEOTEAMSA-N	664.368	5.842	50	40	KKGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)OCc1ccccc1	408990111	MOOOEXJKSPBKNY-WGIMGELNSA-N	589.483	5.707	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409012775	KNTIBXAEFOWCMA-KULFSUQXSA-N	711.451	7.175	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1cc2cc(Br)cc(I)c2o1	409020197	MPPBFOOJKVDJOA-IPBVOBEMSA-N	688.541	7.559	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc2OC)cc1	409028307	LRELNDLFOIFVRQ-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1cccc(Cl)c1	409039175	QQCOWWUIPOXLCS-FABQOPTDSA-N	600.900	7.669	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Br)cc1	409039842	DUXGEMXDZXCSFH-LGJNPRDNSA-N	624.229	5.242	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409046931	LMGCHJSTSLWSCB-YBFXNURJSA-N	522.355	5.756	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccc(Cl)cc1Cl	409121718	VSJQWIOYBSSJMQ-AAPHRLRXSA-N	592.386	7.293	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409130861	NWELIQVNDFXXKN-VTNSRFBWSA-N	627.992	6.472	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1cccc2ccccc12	409181414	CFRWMLSDNDCHAY-LCIRPYIXSA-N	592.611	5.715	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1	409185583	MVUXADYKDYFEAJ-KCSSXMTESA-N	575.528	7.401	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409218153	DBQARADXDZCKLP-UHFFFAOYSA-N	576.834	6.338	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc(Cl)cc1	409230123	BPSSVRMFSGRWPE-KKMKTNMSSA-N	519.454	5.620	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)n1	409230297	YBGXWLSUTCVNKC-NSKAYECMSA-N	598.748	6.093	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409248456	GQTMUGMTZWFCLL-UDWIEESQSA-N	538.431	6.572	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1	409259685	CNAJDYKKXPAZGC-QMRORBIVSA-N	715.826	7.624	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409272121	OQJGUEJAAGKJSE-WSDLNYQXSA-N	503.986	5.206	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	409273142	VUKVBNIRLPJVTH-ODQASSKESA-N	709.453	8.713	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)ccc1OCc1ccccc1	409302801	KSDMYOXFTHSSNR-QDTIIGTASA-N	606.267	5.417	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409305721	WXVKJQYOPCZJMO-NHCUHLMSSA-N	641.371	5.881	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409310267	SXBVJLMEQQKUTK-NTFVMDSBSA-N	551.448	5.713	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409317282	OPMDERDNGFHXOJ-WOJBJXKFSA-N	681.314	6.283	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1OC	409318829	ZYVCUNZNFTZJIQ-VYYCAZPPSA-N	501.352	5.338	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1OC	409334757	MWQVNNBFQGXXSQ-PPDIBHTLSA-N	582.676	6.225	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409335768	XVEHTKYJJZYSRD-APTWKGOFSA-N	700.551	6.118	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409371308	IAUYSVIKPBIYBL-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCC(=O)Nc1ccccc1	409374768	YUYYVDHBWMVCKK-WQRHYEAKSA-N	517.383	5.724	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409387960	ZFLVPHWATXEDGT-IPBVOBEMSA-N	609.285	7.230	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(I)c1OCc1ccc(Cl)cc1Cl	409392887	SVDMXDLPWYOOPR-KVSWJAHQSA-N	615.251	6.054	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)[nH]c12	409394445	AMJNDQRIVFWGRF-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)c1	409394523	BNRBOMTWEHOLRF-UHFFFAOYSA-N	807.664	8.610	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(OC(C)=O)c(OC)c3)c(-c3ccccc3)c2c1	409394534	BTQCRQBCKZGFDV-UHFFFAOYSA-N	735.385	7.286	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)[nH]c12	409395686	QQIMGFXNPDBISE-UHFFFAOYSA-N	661.350	7.660	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1O[C@@H](C)CC	409403160	LYWGBYZRCARFRW-NXFITDAQSA-N	574.634	6.514	50	40	KKGB	
C[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)NN)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21	1529008735	UZOMLPNPISZEAY-UHFFFAOYSA-O	571.789	7.787	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	1529549436	YYNJQVIXRGVMKT-FKZKYSLJSA-N	706.446	6.220	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)nnc2-c2ccc(C)cc2)cc1	1820482	IFKMRKMFGBFNRL-UZWMFBFFSA-N	549.656	6.286	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1898307	QPPBEZOXHMURLO-ATZGPIRCSA-N	551.638	6.801	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2ccc(C#N)cc2)c2ccccc12	8812966	KBNQNTNWYOCQSF-WKULSOCRSA-N	501.384	5.405	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCCOc1ccc(Cl)cc1	9762192	ZZVPHBLUFZJYPW-LDADJPATSA-N	501.797	6.959	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N\NC(=O)[C@H]3COc4ccc(C(C)(C)C)cc4O3)cc2)cc1	30904686	YLHPBKIJKDVEOL-ZTCOUNKMSA-N	514.622	5.791	50	40	KKGB	
O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	59473135	NTVCZVNUUGHZCY-UHFFFAOYSA-N	500.805	5.481	50	40	KKGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	97946601	XCYMZAQCMVXWQI-ZTKZIYFRSA-N	572.712	5.361	50	40	KKGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1	98001264	FZVGUOTXMBXWFD-VPUKRXIYSA-N	661.130	6.041	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4Br)c3C)cc2)S(C)(=O)=O)cc1C	100119691	HSYKSMZUIGMZLG-KCSSXMTESA-N	607.574	6.204	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1	100988018	QPKLDFXUOKSIBW-AHCSBEPMSA-N	532.065	5.442	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1	100988394	LXTHIEOZYOVCKH-WTALZMIHSA-N	606.851	7.186	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc2ccccc12	103797176	ZWCGFMAANWNBHW-OKCVXOCRSA-N	529.390	6.700	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)ccc1OCc1ccccc1	408537395	DMEGEBBEQJJWQX-VULFUBBASA-N	573.476	7.383	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)ccc1OCc1ccccc1	408538067	ITRQYZJCTUOAMX-QFEZKATASA-N	662.378	8.232	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408541803	HTONWPAWCHAIJF-MNBJERMJSA-N	536.028	5.083	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(OC)c3o2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408545166	ZMXRBWJFEJIGIY-DPNNOFEESA-N	620.500	6.182	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc2ccccc2c1	408570544	WPNNDKAJGGDGMM-FDAWAROLSA-N	544.698	6.435	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCc1cccc(F)c1	408579420	HEPWIHKJNLUXEN-VXLYETTFSA-N	578.219	7.235	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408580456	PRQJZPDYZQPADJ-RQZCQDPDSA-N	503.769	7.597	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)c1	408642549	FAVYOGAXQFVUNF-CRSFMYOCSA-N	779.265	6.239	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c1	408724806	CPKOYMVEMUFHBP-MUFRIFMGSA-N	566.395	5.805	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408726529	SKRIPMUCLUNPGV-NDENLUEZSA-N	570.281	6.907	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	408737207	LYQZNYVTYLEVPT-BXRHMWLVSA-N	512.610	5.191	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(I)cc1	408745017	OTOJNISWKFAPCX-MOSHPQCFSA-N	524.358	5.733	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408747053	YMUICFZMZXMMKV-PXNMLYILSA-N	611.117	7.652	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OC(C)=O	408756320	PYZNGWVVZTYRHB-WUXMJOGZSA-N	531.133	5.078	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(I)cc1	408776912	SMGWKZKOTJABFD-CVKSISIWSA-N	602.281	5.334	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408788904	GJQIAZFADFGMBS-FRKPEAEDSA-N	577.218	6.797	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	408789093	NXQZITQKSFTSEZ-CAOOACKPSA-N	595.118	7.952	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408789882	SFUPPMVGCQKMLE-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408799490	ZHDPHTZVNIQRPO-LZYBPNLTSA-N	594.192	6.631	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)c1C	408799537	ZLCBYZYRCOAOBL-VXLYETTFSA-N	577.249	7.340	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408809214	NLVDSHLFJVDGKK-XSFVSMFZSA-N	547.836	7.389	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408817253	VKAZERVLPURHMQ-KWQVAVEISA-N	677.426	9.264	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408817652	NRAPMUMSARNKMC-YAJSYPKYSA-N	645.971	7.159	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccccc1	408827453	HMEUYUHMGNYPHE-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408834461	WDHOAGQLVJTPSK-HKWRFOASSA-N	630.937	7.185	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c(OC)cc1Cl	408835473	XOISCFPAXSMFIR-DEDYPNTBSA-N	533.411	7.288	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1	408838839	JDDDTLNRGMIIKU-ZYHSJNFZSA-N	503.558	5.630	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccco2)cc1	408841626	FUZKBKCELBBIMI-LQKURTRISA-N	532.350	5.278	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1	408844504	JQPDOTNOCFEUKM-IPBVOBEMSA-N	661.572	7.075	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408844906	PRLVGKKOMWHIDC-UVHMKAGCSA-N	542.842	6.342	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1O	408845587	KQVSZHZUHBJWKL-NTFVMDSBSA-N	504.384	5.693	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCC(=O)O)c(I)c4)cc3)cs2)cc1	408847565	SWHJDXBXYMNSSF-XKJRVUDJSA-N	738.345	6.299	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)c(Br)cc1OCc1ccccc1Cl	408851710	FKBIHTGTUZCEII-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4ccc(C)c(C)c4)c3C)sc3c2CCCC3)cc1	408854527	HKNYVLJBBMOPAZ-ITYLOYPMSA-N	562.739	7.758	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408855569	OEKNPCSYJTVCKT-APTWKGOFSA-N	604.501	6.320	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1	408857383	UQCKYJKBLCGLRO-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408858855	UCBJLDFGBSHZBM-PPDIBHTLSA-N	558.772	6.108	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)ccc1I	408858889	UHRHKEIFMDCTAV-RMORIDSASA-N	591.652	6.224	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408859356	SQDOOVJQKBMWMM-UXHLAJHPSA-N	616.534	5.075	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccc(C)cc2C)cc1	408864220	XLBBTTJBWCGVJC-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408889145	FBMAUPZOXYMRRK-VIZOYTHASA-N	720.088	7.235	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Br)C(=O)Nc1ccc(Cl)c(Cl)c1	408892049	AEJVZNXVPAYCSL-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cc(C)cc(C)c3)c(OCC)c2)cc1	408892068	ANMRYOXAVRVQQV-ZVHZXABRSA-N	577.475	6.766	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)ccc1Br	408904468	JYLQJZFYBPTSTR-FMCGGJTJSA-N	514.292	5.522	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1	408907911	QEAFKOUTGVYDLW-RDRPBHBLSA-N	505.571	5.363	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)o1	408925545	SANKUSDDZMHBMC-JLHYYAGUSA-N	515.263	5.014	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)ccc21	408970134	BHCYRAVLWFUDPK-IUSCKDQHSA-N	567.517	6.570	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)c2C)cc1	408976636	BLKOPUOETHENPF-PGHBFPSBSA-N	536.632	5.282	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409009506	AONWIICSHQWGKC-SLFKJHOKSA-N	644.511	7.190	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	409058166	RVEXTGGCOWPVDK-NTUHNPAUSA-N	532.154	6.565	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1	409072474	SCPGEGGTVFGVMH-RVDMUPIBSA-N	533.787	5.121	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccncc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409078053	GQALGQKWOINXLS-RAWMCFOBSA-N	509.187	5.502	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409078221	IBGGDSNLUHKRHR-CXUHLZMHSA-N	510.846	6.320	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(O)cc1	409084968	YMWSCIDCPRWHQP-NTUHNPAUSA-N	604.167	6.072	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409088347	XDHSTKULYSFZBK-MHWRWJLKSA-N	546.299	7.023	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	409091385	QCBYQXLCZAXPIC-OQLLNIDSSA-N	547.873	6.622	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1F	409131582	JVHGNIHLXMIVBQ-SANMLTNESA-N	598.513	5.949	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(F)cc1	409146997	UGZMIOUTIRRBJW-QHCPKHFHSA-N	526.406	5.296	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409159108	YXIPYZKPSHJMCX-VFLNYLIXSA-N	563.825	5.152	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409226761	WNSHGQYNNUKLTN-FIYBXFIASA-N	529.292	5.193	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)c1ccccc1O	409226872	WBBCHRDTXUJJJN-UGOYGOHDSA-N	582.443	5.666	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc(Cl)cc3)cc2)c1	409227177	SZIZXPDLLOBZLP-KYHGBAKBSA-N	546.410	6.537	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)ccc1OCc1ccccc1	409252706	UVWKNTDSQGYZSF-AEUUOICLSA-N	606.506	7.061	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2)c1	409264178	NKWCTKCWTJKAEP-WKIKZPBSSA-N	575.257	5.310	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1OC	409323883	QAXRVOKDMIIVRT-MWLSYYOVSA-N	519.395	5.962	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OCC	409326811	OOIMEFVBEBLQLM-LJUMEUDFSA-N	571.443	6.293	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1	409337603	ZQCMDVNQGUBQMN-BKUYFWCQSA-N	504.811	7.907	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)ccc1OCc1ccccc1	409361847	DMLDNFPFKMNIEE-APTWKGOFSA-N	541.579	5.585	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1ccc(C(=O)O)cc1	409372095	FKMTUZHWUSKRHS-WCMJOSRZSA-N	577.431	6.051	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409384159	BOZDELCTIBTMCA-MOSHPQCFSA-N	519.985	5.619	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2n1Cc1ccc(Cl)cc1	409387032	SOSFOJSEAIZWCY-CCVNUDIWSA-N	502.983	6.538	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409387876	XSQQEHVXZREDGE-BRJLIKDPSA-N	547.418	5.101	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)cc1OCC	409394484	AZFNYWRVMBRSEU-UHFFFAOYSA-N	640.534	7.686	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409396960	DJQKAXWYJOOOKW-UHFFFAOYSA-N	606.893	8.177	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc([N+](=O)[O-])cc1	409400985	FVQPWZMOOUFGDW-AEVGBRMKSA-N	766.443	8.441	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Cl)cc1	409404187	PFBRJXBQLOOVTE-UHFFFAOYSA-N	618.517	7.924	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)/C=C/c1ccccc1	409408631	KIERDNVCHKOJGF-WXXORWOBSA-N	589.648	6.657	50	40	KKGB	
ClCCCOP1(OCCCCl)=NP(OCCCCl)(OCCCCl)=NP(OCCCCl)(OCCCCl)=N1	1083812859	INMLNUPITZEGDS-UHFFFAOYSA-N	696.141	9.712	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	1529545882	BPEKMHFKVGESLM-RQQSEGDXSA-N	722.061	6.720	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccccc1Cl	1529548722	MUFUSFJVCCUAFH-AYSITGFNSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccc(F)cc1	1529548801	ODMFRLZWIIELPU-AYSITGFNSA-N	781.442	5.657	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1854353	MVBHEKVHCYLROD-FADJLKOXSA-N	591.737	7.275	50	40	KKGB	
CC[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	1947229	OCVMLZZIOKMTLS-PZEXIZOFSA-N	534.046	5.021	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl	2200059	SHLCWXUYDBZQIX-RUZDIDTESA-N	515.034	6.352	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	6232499	VSANTMCURJOKBY-QHCPKHFHSA-N	511.500	5.174	50	40	KKGB	
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2c2ccccc2)cc1	16741539	VWWVIIOXTFMZAM-IMRQLAEWSA-N	514.585	5.686	50	40	KKGB	
N#CC1=C(SCCSC2=C(C#N)C3(CCCCC3)[C@H](C#N)C(O)=N2)N=C(O)[C@H](C#N)C12CCCCC2	17028401	HGNSKZMMENNRNV-HDICACEKSA-N	520.684	6.044	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58917201	YRIINKNKNCLWDK-XALLQIEYSA-N	520.073	7.327	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1	59473421	DJYVCYZMBQAGGR-CCVNUDIWSA-N	503.451	6.355	50	40	KKGB	
COc1ccc(C(=O)N/N=C(/C)c2ccc(O[C@@H]3OCCO[C@@H]3Oc3ccc(/C(C)=N/NC(=O)c4ccc(OC)cc4)cc3)cc2)cc1	96022844	BMCQBEXQNOHVID-FZOFNDGUSA-N	652.704	5.169	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	97965786	DNPLOBJLOZDIHE-VMCRYMNPSA-N	564.466	5.263	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CCCCC(=O)N/N=C/c3ccc4c(c3)c3ccccc3n4CC)ccc21	97980850	HOOHWUOHMYUVFU-DNJOOXRZSA-N	584.724	7.103	50	40	KKGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ncc(Cl)c(Cl)c1Cl	97981047	JFHPQESMRKYCOS-WXMAUWIXSA-N	530.717	6.285	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1	97999704	NRRLRCACCKWBRI-WJOKGBTCSA-N	600.140	7.037	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	100195526	ZROFNQJPKFQWFM-GOJREDGKSA-N	542.038	8.489	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3c(OC)cc(OC)cc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852123	CMLZPXWNRYOQKX-KCSSXMTESA-N	589.718	5.509	50	40	KKGB	
C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)COc1cc(C)c(Br)cc1Br	100970164	JMUXITTZGLLQMI-DHRITJCHSA-N	545.659	5.382	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	101074476	BOEVNNMVPUBBAR-VZWFDDOASA-N	521.708	7.184	50	40	KKGB	
C=CCSc1nc(-c2ccc(C)cc2)n2c(nc3ccccc32)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	101322586	DDFDMEKDXCXYMR-UHFFFAOYSA-N	592.728	7.755	50	40	KKGB	
O=c1c2c3c(sc2[n+]2c(n1-c1ccccc1)CC[C@H](I)[C@H]2c1ccccc1)CCCC3	101365978	UUKZGBARWOSNLT-GBXCKJPGSA-N	539.462	5.558	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccnc3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	101670761	ZURGGPKLWAQBHD-QHCPKHFHSA-N	530.009	5.086	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12	112254940	GNURXDGMDBQEKE-KQSNKGFRSA-N	606.638	5.644	50	40	KKGB	
O=C(NC[C@@H]1CCC[C@@H](CNC(=O)NNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)C1)NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1	150443759	LWXHRNWIMSZBEY-ROJLCIKYSA-N	790.798	9.011	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795436	OWLFPIMBQCEKFC-HZPDHXFCSA-N	1014.290	14.262	50	40	KKGB	
C[Si](C)(CCCNC(=O)Nc1ccc(Cl)cc1)O[Si](C)(C)CCCNC(=O)Nc1ccc(Cl)cc1	195787162	CRGJMZGLXBXCTE-UHFFFAOYSA-N	555.655	7.144	50	40	KKGB	
Cc1ccc(S[C@@H]2O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)cc1	204893022	FVWMHGKJMGETAM-VUXRACJTSA-N	575.081	7.324	50	40	KKGB	
C[C@]12[C@H](c3ccccc3)C[C@](C#N)(O[Si](C)(C)C)[C@]1(C)[C@H](c1ccccc1)C[C@@]2(C#N)O[Si](C)(C)C	257352505	LRHBAWMZMYGFDN-UQJDXYMZSA-N	516.834	7.602	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC	408539240	GFNBGVPSIOWAGX-CPNJWEJPSA-N	507.266	7.634	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2OCC)ccc1OCc1ccccc1	408539611	IQPZAIMIPNSDJG-KMUKQRDJSA-N	682.409	7.931	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408541241	FMEWFOGQWIKPDD-JMIUGGIZSA-N	508.324	5.497	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553265	NICMBRXWYUDKQO-LZYBPNLTSA-N	577.218	6.754	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408569832	QJBBYSWSSWBKNO-FJEPWZHXSA-N	577.555	6.979	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1cccs1	408640994	BXTOMMTWBFKILB-MUEHPZDASA-N	635.161	5.073	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408647808	VREXNUUGIUATLB-HNNXBMFYSA-N	814.909	8.063	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408648292	JYDKTKUKMRUWQW-TURWBDFOSA-N	739.200	5.824	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)[C@@H](Br)c3ccccc3)cc2)cc1	408682658	LBNJOWMYQOFUEH-XTEPFMGCSA-N	542.429	6.792	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)nc4sc5c(c4c3=O)CCCC5)cc2)cc1I	408732407	QYDHFULUJWVXHT-CCVNUDIWSA-N	598.466	5.012	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)nc4sc5c(c4c3=O)CCCC5)cc2)cc1Br	408733312	XGZIIOFXTXTEJV-VFLNYLIXSA-N	630.362	5.932	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)c1	408744211	DKUJQHNYAJDECL-MTJSOVHGSA-N	521.411	6.290	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1C#N	408746799	HFKXXNDCIOEEGX-GRSHGNNSSA-N	522.786	6.107	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)NCc1ccccc1	408746918	HSWIRZWOONNAGL-GRSHGNNSSA-N	516.222	6.558	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408760142	SHBDHWFXCPXJRY-UNOMPAQXSA-N	615.395	8.666	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(Cl)c3)c2C)ccc1I	408784384	QSJCSYQRAQKUCK-ROTLSHHCSA-N	521.786	5.190	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408786956	YOXSJHKADUKNQP-DBFSUHOCSA-N	566.330	6.118	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408787806	GNTNVTJNWWTORU-VXLYETTFSA-N	560.275	7.506	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408789073	NWLKESUZAKNABI-CIAFOILYSA-N	535.394	5.677	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408789395	PPZHLKOJKSNSFV-RQZCQDPDSA-N	553.325	5.399	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(F)cc1	408797040	ZXPPHKHFYMLLKO-RGVLZGJSSA-N	556.375	6.180	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408815498	HVVGYKDCRUAMPC-DBFSUHOCSA-N	616.262	6.398	50	40	KKGB	
COc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1[N+](=O)[O-]	408819296	PUKZUQHBCFVDLM-NTFVMDSBSA-N	580.382	5.738	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc(F)cc1	408823052	DHEFIHJDGIUNPS-KOEQRZSOSA-N	557.021	7.581	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	408828632	IHFRSCCJLBYLCP-OCSSWDANSA-N	551.068	5.366	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1	408829974	KYSFJIHUIQCETA-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(C(=O)O)cc1	408838596	GQGXFWHLUYFGFA-FABQOPTDSA-N	592.677	6.912	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	408838670	ZEPPCNMJXPPHDC-PPOKSSTKSA-N	539.079	6.005	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)c1cccc(C)c1	408840099	BAHBLSKPXDLZAW-BIZUNTBRSA-N	566.570	5.537	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408841659	GIYLMCLNIVKVBR-KVAAJVFYSA-N	646.950	7.861	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408842217	JALFKBNTFASYMO-DPWJMMOYSA-N	713.330	7.611	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408843788	NTNAWPOFJKSKJS-RVDKCFQWSA-N	759.342	7.243	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408844280	NDQRJRZLPGJORI-FABQOPTDSA-N	643.077	7.097	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408845193	PKEAGSDNOLQLJI-YLYVUXRMSA-N	777.899	9.860	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCC	408848042	WQRYUQAIPVTCOY-KVSWJAHQSA-N	618.419	6.000	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)ccc1OCc1cccc(C(=O)O)c1	408851224	AJPDZABMSXMSCP-AAPHRLRXSA-N	643.288	5.575	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408859728	PXDIAHNWPLSNPW-IPPBACCNSA-N	608.942	5.223	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccccc1	408862800	MJRDJYNEETXODD-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	408874648	DNEKEGSEWQUNQM-XICOUIIWSA-N	598.124	6.802	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408884539	ZQPUNYKMTKVVBC-LICLKQGHSA-N	654.764	6.804	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1Cc1ccccc1F	408884641	VERSJFKTMUVGPR-UDWIEESQSA-N	540.376	6.274	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(C(=O)O)cc1	408885494	AXBFPBAUJUJKDS-VCHYOVAHSA-N	650.210	5.719	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)c(Cl)c1	408886205	FFJITQFEPXCZEW-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1cc(C)cc(C)c1	408887399	NWCBQQWJCNHYOI-FSJBWODESA-N	566.439	6.658	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1cccc2ccccc12	408888170	XMGSLANXTUELOO-KEBDBYFISA-N	641.305	8.341	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1OCc1cccc2ccccc12	408888389	VBBZUFKPRNZFEQ-RCCKNPSSSA-N	503.385	7.280	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OS(=O)(=O)c1ccccc1	408892032	XNFIZPWQAINUAS-QNKGDIEWSA-N	580.747	6.237	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2OC)cc1	408892177	GYULUWZYPSSTQF-GZTJUZNOSA-N	586.236	5.994	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1cccc(C)c1	408904156	FPGTVAAFYNMHOS-MUXKCCDJSA-N	552.381	6.154	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1	408926674	XJEAQFKGRXFOHQ-DTQAZKPQSA-N	503.363	5.315	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408952538	WEWFLXHDRDZIHM-MHZLTWQESA-N	657.627	5.291	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408977041	CJBNLBYIFZJCFZ-BMPNZVKJSA-N	518.592	5.840	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1	408982957	JCZAXERBQSVYHL-GRSHGNNSSA-N	560.275	7.588	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1Cl	408984394	QKHMIYJBYDRZIT-SOFYXZRVSA-N	540.661	8.387	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1Cl	408985733	YFNJLQOQXZJXSP-IUXPMGMMSA-N	672.663	7.121	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409012750	KKSDZZMLDQPJCE-BRJLIKDPSA-N	563.189	6.116	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	409016999	USVLXAYTRPLYSN-UXHLAJHPSA-N	546.520	5.675	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c1	409038636	PUUQFXNFRWEZQS-LELUDANCSA-N	596.470	5.969	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccc2ccccc2c1	409049725	ZUDLUYFMESLGNW-DBSPGSINSA-N	616.515	8.169	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OS(=O)(=O)c1ccccc1	409072551	SQEREKFCPLMVLR-LDADJPATSA-N	527.396	5.080	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1)S(C)(=O)=O	409111530	COPDKPMWUIFGBV-VTNSRFBWSA-N	583.541	6.439	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)C2=C1CCCC2=O	409129971	MWZQFVRUOXXCLE-NRFANRHFSA-N	580.253	5.907	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409152911	KFLKRQSAUWZCTK-VVEOGCPPSA-N	669.303	5.411	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	409185034	PZTPHGCKIKWINO-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4ccccc4C#N)cc3Br)cc2c1	409187396	PYTQJNQHFVYJKL-ACXHZZMFSA-N	562.420	6.207	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2)c1	409222992	FUFIYAHWIKCBHW-OKNZEMHISA-N	523.976	5.975	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409226487	TUSBDQWOGVZFRN-CTRCZWQYSA-N	588.447	6.637	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409245809	ZHJVPNOGFHOHKD-VLZFXTDASA-N	504.970	5.800	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)[C@@H](O)c1ccccc1	409248170	CISPKCKPDMCHGO-HQYUJTHISA-N	568.265	6.128	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	409249301	HGDRWQSVYOYNLJ-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409256201	KJIKQLWNJVCXDJ-XDHOZWIPSA-N	552.400	5.859	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409261458	DBWMXBXJIJOKTQ-NVJOKUIPSA-N	656.702	5.806	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409266924	SESAACQCZIOXDI-FDVSRXAVSA-N	509.990	5.146	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409269378	IFCMHJAENYROTC-IUXPMGMMSA-N	555.374	5.782	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OCC	409312902	OGBSMNNDLKKFQP-UHBFCERESA-N	667.338	6.593	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OCC	409322433	XEDMQBYCAJJTSJ-CAQPMQTCSA-N	610.505	5.901	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OC	409322441	XFRLBLHXYNTFFM-QDTIIGTASA-N	560.832	5.210	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409332189	GGERTRGRHGPVRQ-MZFJOGFUSA-N	639.524	5.967	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371168	CBPMWOBGDGLPIR-IUXPMGMMSA-N	626.163	6.586	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1cccc(C)c1	409374294	LQXNVJTXCBONOT-MTJSOVHGSA-N	502.412	6.984	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC	409391556	JRIOHQNIVYIFPI-ATDKOCKZSA-N	503.340	5.426	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)c1	409395134	KHCWNNPIAQAFLI-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396515	VBIFGRYAVWZGBT-UHFFFAOYSA-N	686.117	6.821	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409399003	XHUXSIDNUJXSQF-UHFFFAOYSA-N	556.018	7.080	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(C(=O)O)cc1	409403536	NIBGKGUOTGQGKG-KOKCXWAISA-N	686.559	7.468	50	40	KKGB	
CCO[Si](OCC)(OCC)[C@H](CC)N([C@@H](CC)[Si](OCC)(OCC)OCC)[C@@H](CC)[Si](OCC)(OCC)OCC	409418450	AZWJUPOOZZRWNW-ZONZVBGPSA-N	630.057	5.387	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@H](c1ccc2ccccc2c1)c1ccccc1P(c1ccccc1)c1ccccc1	1857795121	NPFQPRKFPNKJDT-WECIHKQLSA-N	521.666	6.739	50	40	KKGB	
CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1Cl	2310659	OSIXUYLSAPKILW-SFTDATJTSA-N	518.422	5.642	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	3363021	GZZXTADZVRBNDC-DPNNOFEESA-N	538.648	5.809	50	40	KKGB	
O=C(N/N=C/c1cccc(F)c1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1	3765535	UBUQOPXJAWVKFQ-VVEOGCPPSA-N	509.488	6.071	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	6600506	IDYJEFJVZZOORZ-MZJWZYIUSA-N	531.790	5.250	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	8384629	RKZCCWVPUSWKOY-IVGSBCDZSA-N	673.113	5.961	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)NNC(=S)Nc1ccccc1	9113689	DRHKRRBWINHHJG-UHFFFAOYSA-N	501.081	5.214	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1OCc1ccc(Cl)cc1Cl	12555959	LOEVSXLFDLPYFS-LZYBPNLTSA-N	514.321	5.740	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1	20493155	KISVIOYEXSQLQG-XHLNEMQHSA-N	507.656	5.119	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	59334162	RGXMSPVVIABMGP-AUWJEWJLSA-N	501.151	5.172	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	59473133	JAPUELJUTGCNBJ-UZWMFBFFSA-N	514.050	7.039	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)cc2)CC1	59647050	HQORQKWJJULMIS-HPNXWYHWSA-N	612.130	5.452	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1	97999703	NRRLRCACCKWBRI-HKBQPEDESA-N	600.140	7.037	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(Br)(Br)CBr	100043284	OKURPQGPBHMFLE-UHFFFAOYSA-N	584.790	6.606	50	40	KKGB	in-vitro
C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C\C(C)=C/c1ccc(C(C)C)cc1	100081136	LYCUZTDIHJOGIP-CZHITBESSA-N	538.721	6.650	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	102810048	TYWUITOFPOWQRT-RUZDIDTESA-N	568.646	6.782	50	40	KKGB	
N#C/C(=C(/Nc1ccc(F)cc1F)SCC(=O)NC(c1ccccc1)c1ccccc1)c1nc2ccccc2s1	102931715	WTECFHLZTHEBJG-JJKYIXSRSA-N	568.674	7.518	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCc1ccc(Cl)cc1Cl	103857922	RGTWPWQSUXXNMU-OPEKNORGSA-N	575.255	6.401	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br	103889528	MVUDPCNZBCEQCQ-SDQBBNPISA-N	532.605	5.897	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccccc1	104115980	HCEXFQPQCNYHGJ-MWLSYYOVSA-N	559.346	7.137	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)ccc1OCc1ccc(Cl)cc1Cl	105793429	PRVHEJSPTWYHMK-XAZZYMPDSA-N	534.399	5.845	50	40	KKGB	
CC(=O)O[C@@]12C[C@@H]3CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@@H]5[C@H](C)CCCC(C)C)[C@@]3(C)C[C@@H]1[C@H](Cl)C2=O	118936418	GXMVZVDZUMWBHC-OLUDLYNRSA-N	505.183	7.826	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	150490626	ARZKSBGJCKRMPR-FZPRHHONSA-N	645.565	5.772	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164737676	UXKNOPAVAMWWDS-YBEGLDIGSA-N	675.091	7.327	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	245226924	SQPDIZYABMVPOH-QGEIPVAYSA-N	570.325	7.220	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Br	408537936	IHASTGPRVGYEJK-ATVHPVEESA-N	536.264	6.725	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)ccc1OCc1ccccc1	408538122	JJLCHSDHJNZBIX-ZMOGYAJESA-N	730.375	9.333	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)c3ccc(Br)cc3)cc2Br)ccc1OCc1ccccc1	408538639	AWZUQCGQLIBKQB-AFUMVMLFSA-N	698.249	9.595	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl	408539230	GDWGKKHMHOCVLO-YSMPRRRNSA-N	500.264	7.259	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3C(F)(F)F)cc2OCC)ccc1OCc1ccccc1	408541571	ZXJBCFBQAYPCPY-GZOMZLSJSA-N	627.059	8.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550032	ATIYVXZTQFOUQW-VXLYETTFSA-N	603.300	6.395	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408551506	DHDUCSRDFHWNPZ-VXLYETTFSA-N	563.035	6.584	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(Br)cc1	408569278	MRMULDZBCAKGLP-FJEPWZHXSA-N	713.457	7.039	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1ccc(Br)cc1	408580742	RNFRBJJQCKRLAA-CAOOACKPSA-N	566.062	7.756	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Cl)c(Cl)c1	408587156	RHMZUNSATSHXCD-APSNUPSMSA-N	583.063	8.070	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408604308	IAQOOOFZASZLPJ-VFLNYLIXSA-N	534.827	6.022	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)cc1C	408608411	PLPBWEQMIKUGSX-KVSWJAHQSA-N	549.252	6.041	50	40	KKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)c1C	408611214	QGKUCCQYQIRFPN-KVSWJAHQSA-N	549.252	6.041	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408641678	KYVAFIUSYDFCNO-MKXGPGLRSA-N	631.148	5.464	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	408723483	WIQSCHXJXMLHAH-FHMAFLEASA-N	580.471	5.889	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccncc1	408723585	XGZKJMODHNIHKV-NSKAYECMSA-N	652.057	5.941	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(I)cc1	408742671	BPTNUBHUXWNDNG-ODLFYWEKSA-N	558.803	6.386	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1	408744125	JFKMINIPHAMZRS-ZDLGFXPLSA-N	591.218	6.626	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)c1	408746039	WSSYWRZSQAXUHJ-ZDLGFXPLSA-N	591.218	6.626	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1cccc(F)c1	408747673	RLALBSIKZCUAIZ-MFOYZWKCSA-N	607.217	6.326	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Br)cc1Br	408782368	HWMGPLQYXRAEMF-MFOYZWKCSA-N	621.123	7.107	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1c(Cl)cccc1Cl	408784400	QUVYRSFXUDFGRC-UNOMPAQXSA-N	574.302	7.842	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OC	408831531	QXVCUHRZICJUOP-XDHOZWIPSA-N	586.280	6.744	50	40	KKGB	
CCOc1ccc2ccc(OCC)c(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)c2c1	408845599	QQXOSHHOFSNLCN-HNSNBQBZSA-N	550.684	7.577	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)O	408849626	ZPAHJVTWTHUKQP-XKJRVUDJSA-N	662.893	6.048	50	40	KKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc21	408860040	QZHPNJWTINBYLN-JJKQSNDFSA-N	591.480	6.072	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408861650	UMVXUNYFKQPGIO-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2cccc(Cl)c2)cc1	408862060	WTKJFQYBAASTKM-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1Cc1cccc(F)c1	408873402	QNYTXWZDFPAXIT-VCHYOVAHSA-N	512.322	5.575	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	408874280	ZSVWBYSKHPMXHC-RUMWWMSVSA-N	573.671	5.019	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1Cc1ccccc1Cl	408877352	VHAWXKDAOHZNDH-PCLIKHOPSA-N	557.477	8.108	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	408887499	RCXXAAILSPQYKO-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1Br	408888689	ZAIVEHNQCVVJCB-MDWZMJQESA-N	588.037	5.927	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(Cl)c(Cl)c1	408889511	DJWYBVCAITZNJD-YPXUMCKCSA-N	685.514	7.199	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc2ccccc2c1	408905681	CHJYTLVBVSRITO-MNDYBZJGSA-N	574.387	6.608	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)c(OCC)c1	408951030	SYGYCLKVSHJBSI-PMERELPUSA-N	637.158	5.203	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408952524	OEBFHXMOIJHHRQ-MIXAMLLLSA-N	539.639	6.292	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)cc1	408964873	SXRUWSUKLWJQGM-ULPWCQAASA-N	588.751	6.315	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1C#N	408989128	KCLWCYCNVRCWGF-FMCGGJTJSA-N	546.852	7.136	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)NCc4ccco4)cc3[N+](=O)[O-])sc2c1	408992151	QPZVUBLXFOXIMM-DEDYPNTBSA-N	595.662	6.733	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccccc3)cc2)c1	409011085	LYDLYXSQAYVYEQ-TZHGEAPXSA-N	623.665	6.849	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1	409011781	HPKUBVOAWQZZQT-IHELAITMSA-N	604.710	7.901	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1cccc(C)c1	409022907	HUTJSBNXVGOCFW-ACXHZZMFSA-N	548.437	5.813	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1C	409029056	UZQSNFMTPXDMSE-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)c1C	409041982	LRLVVDRBCXSCKJ-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409043650	SPTTYFRVWTWYNU-UDWIEESQSA-N	534.410	5.638	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)cc1	409047166	NFNZEDIKFPVSDN-RQZCQDPDSA-N	536.242	7.824	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1Cl	409051692	CBBIRDJJLWQNKE-LUOAPIJWSA-N	526.645	7.061	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)c1C	409075942	VZSXVBNFTXDONK-KEBDBYFISA-N	584.264	6.651	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C	409082810	SZFZQBOIIDBSJN-LICLKQGHSA-N	537.326	6.220	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409087272	YCQCUMRPUJJDIC-DEDYPNTBSA-N	539.466	7.505	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccccc1Cl	409091080	SZFCANFVXDBVSO-XMMPIXPASA-N	602.812	5.869	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C(F)(F)F)c(OCC)c2)cc1	409161519	YPHOTNUQPNVCPN-XJECJHNESA-N	679.490	6.152	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccc([N+](=O)[O-])c5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	409184567	ZBMVKVUCGJORAU-PKXDCDSOSA-N	591.023	5.523	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4ccc(C)cc4)cc3Br)cc2c1	409186740	HGYRTRSDJQAAKB-UHBFCERESA-N	551.437	6.644	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OCC)c3)cc2c1	409188737	FZEAUKDOJKLZJW-UHBFCERESA-N	535.984	5.665	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1	409223569	GZYFIFCVZHREGX-UHFFFAOYSA-N	635.312	6.755	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1	409226206	PSVZZRRTJVFSPH-CPNJWEJPSA-N	645.881	6.305	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409253266	BCAYKYZDQSZGDZ-IZYHBKOJSA-N	660.583	8.041	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)cc1Cl	409267299	UPPLCTBMGXVJIY-QMRORBIVSA-N	675.008	8.059	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1C	409267755	XLPKVLDTRUEIQD-XDHOZWIPSA-N	522.374	5.768	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409267943	XBPIOUDMYXEGEG-RQRWGXNHSA-N	766.061	8.300	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409317280	OPMDERDNGFHXOJ-VQTJNVASSA-N	681.314	6.283	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409374707	XFOBDSQNCYHBKN-WQRHYEAKSA-N	504.949	6.144	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OCc1cccc2ccccc12	409380825	AZQIYMRYXVRUPO-WSDLNYQXSA-N	563.395	6.093	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(OC)cc3)c(OCC)c2)cc1	409383614	YFMAOWKCSQYRHJ-XSFVSMFZSA-N	550.011	5.709	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)[nH]c12	409395347	MMTYAAGWBCYEDU-UHFFFAOYSA-N	621.285	7.244	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396175	DPSGFVLGGPSBJP-UHFFFAOYSA-N	681.370	8.295	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409396586	ZELJYWRAXLDMCG-UHFFFAOYSA-N	787.202	7.676	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cc(C)cc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409396849	BXLGYULCLJHXGN-UHFFFAOYSA-N	605.647	6.377	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409396934	DCVNIPSFELMNCW-UHFFFAOYSA-N	590.894	8.395	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398076	QFRPXHMHUWECCS-UHFFFAOYSA-N	586.475	7.832	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cc(Cl)ccc3OC)c(-c3ccccc3Cl)c2c1	409398885	WEALZCRHQUKXHV-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409399290	ZBBOFGSNBGNKDO-UHFFFAOYSA-N	608.010	6.650	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	1529547540	LOSPEKQQGYPWGL-HVJLQFNCSA-N	736.472	6.229	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1	853176	QAFXYDYDSLFJBF-CCVNUDIWSA-N	509.937	5.089	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccco1	1237616	GCFNXMFXEBVUGV-AREMUKBSSA-N	514.607	5.303	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1	1790114	YQSAZUKKTZMOMO-JSIHEXFSSA-N	522.945	5.452	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1	2097079	RQEGTLLNRQJDEV-DXRBVMPTSA-N	569.916	5.926	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)sc2c1CCCC2	2300968	BXMJTFIOMJGWAE-DTQAZKPQSA-N	525.424	6.372	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(N(CC)CC)cc1	2349422	VWGXIWRYGKQVIA-HKWRFOASSA-N	508.043	6.637	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)n2-c2ccc(OC)cc2)cc1	2705300	NTGBFMJJYUWHHX-CCVNUDIWSA-N	542.448	5.501	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1I)c1ccccc1Br	3084185	NYYSUQJELREKSW-ZMOGYAJESA-N	548.178	5.070	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2)cc1	3092087	ZUTQQPFHEJEDSY-LGJNPRDNSA-N	546.215	5.268	50	40	KKGB	
CCOc1ccc(Oc2c(/C=N/NC(=O)c3cc4c(s3)CC[C@H](C)C4)c(C)nn2-c2ccccc2)cc1	3389395	LOMQJDMADMCRIN-ZTLXJKOPSA-N	514.651	6.322	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc([N+](=O)[O-])cc1)N2	6074185	ZWUPLBQPQDBPNV-CIHKHTDDSA-N	523.998	6.744	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1)c1ccco1	12632059	HZQSORFYENVCJC-UVHMKAGCSA-N	513.457	5.579	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2C)c1	13748509	SUDISMGQSIHJDU-NNHPPCHPSA-N	502.039	6.330	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(C)cc1	15930337	OFCNCOXMVSMILA-MXEPNMHZSA-N	519.074	5.862	50	40	KKGB	
Cc1sc2[nH]c(SC[C@@H](Sc3ccc([N+](=O)[O-])cc3)[C@@H](Cl)c3ccccc3)nc(=O)c2c1C	16779205	FIWMBNMETYTHJG-QUCCMNQESA-N	518.085	6.743	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	19940187	GFFPONULXPELFZ-MUUNZHRXSA-N	508.647	6.010	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@@H]1c1ccco1	20136748	DHRZJYPILKCDJA-HSZRJFAPSA-N	503.555	5.187	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OC	38688618	RXVXQEYSTJBVFG-MHZLTWQESA-N	510.546	5.813	50	40	KKGB	
CC(C)(C)OC(=O)NCCCC(=O)N/N=c1\cc(-c2ccccc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3	60045083	ZCUWFJJGVLOCCO-OZMGXUMRSA-N	545.680	6.365	50	40	KKGB	
CCCCCCCC[C@H](I)[C@@H](I)CCCCCCCC(=O)OCC	72266774	OSUWTUZVEDSJAZ-OALUTQOASA-N	564.330	7.638	50	40	KKGB	in-man
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1c(Br)cc(Br)c(O)c1Br	97961028	QEPUMIIWTCBCEV-LKNXVUQUSA-N	743.664	6.496	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100062891	DBIWAYOKZGADNZ-DBFSUHOCSA-N	615.149	7.189	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1	100104527	JGVVUHQAGCHPGW-UXHLAJHPSA-N	563.035	5.716	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCCc3ccccc31)[C@@H]2Br	100848588	DRBPTROIDJXVOM-CCKFTAQKSA-N	520.103	5.652	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	101562730	ORORXFTWIFGTGW-HHHXNRCGSA-N	548.039	6.290	50	40	KKGB	
N#CC1=C(N)Oc2cc3cc4c(cc3cc2[C@@H]1c1ccc(Cl)cc1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O4	101668939	KCGLYFBVBICPCX-NSOVKSMOSA-N	537.406	6.583	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)N1	102160760	RZWQGAKQOFCTJX-SANMLTNESA-N	583.035	7.065	50	40	KKGB	
O=C(NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N[C@@H](Cl)C(Cl)(Cl)Cl	104828972	DEOQYJOJBCWGAC-OAQYLSRUSA-O	582.102	6.819	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342031	DODGJGXFABDTIH-UWTATZPHSA-N	892.044	10.928	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342164	PCIQRGCRWHZTLC-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	150385627	CLEKUMBEFWFQJT-ATZGPIRCSA-N	633.490	6.221	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	208884213	AVUGSBPXNNKYMR-WGARJPEWSA-N	554.532	7.870	50	40	KKGB	
O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21	245231655	HLLGIHOHYYUOEV-QRYVVUSGSA-N	525.970	6.240	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)cc1	408541036	XKGQQNYJBAALHJ-IDWIKUEFSA-N	631.567	7.731	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408545571	ZXAKTIINMWESDB-OCKHKDLRSA-N	521.913	5.470	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408552131	ONYYVOHVGNKBAX-VGOFMYFVSA-N	569.659	7.517	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554112	ZJBJVHKBVDRWDJ-DLCNMLRHSA-N	608.478	6.371	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	408569453	NUAYFPLKLBHUBE-VFLNYLIXSA-N	595.943	6.828	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408579755	JYCANHIRFOOGNO-RQZCQDPDSA-N	548.220	7.706	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408640521	IGSAZHWKAMGQFD-BHDDXSALSA-N	517.384	5.058	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)cc1	408641951	LMYKDDPXNDIIOA-POTDNYQPSA-N	716.810	6.030	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)c1	408642179	DSCFIGAFIAZRIW-ONBABHLOSA-N	744.820	5.586	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408642836	FHWIWUYUXLWKAL-BRORTUQTSA-N	638.051	5.864	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408647209	UUBJBKVLZUMRDU-NVPYSNMXSA-N	747.780	5.630	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Br)cc1	408725542	LKSYEJPLADFQPU-UNOMPAQXSA-N	586.280	6.744	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408728793	UGJRUHZMNJEHJO-JVWAILMASA-N	609.886	5.063	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Br	408744120	JETWEDCBPBCENQ-MDWZMJQESA-N	541.037	6.085	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1	408744595	MFIUEAZWKVGXIZ-IUXPMGMMSA-N	506.216	7.733	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)ccc1I	408746486	DPKLICCZVNSOEM-KBKYJPHKSA-N	609.214	5.134	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1	408763610	JAYRYBLHARPBNA-JVWAILMASA-N	539.407	5.143	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1cc(Cl)ccc1Cl	408765134	ZQBOTUQWDPDAJB-XFFZJAGNSA-N	507.127	6.470	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1c(Cl)cccc1Cl	408769460	VMCFILWUUGMVIC-WQRHYEAKSA-N	607.275	7.430	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2c(c1)OCO2	408788015	CGPGCBIKLIRZPF-XYGWBWBKSA-N	586.486	5.741	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccccc1F	408789127	ODBIUBUJFGORCG-WOJGMQOQSA-N	621.244	6.716	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408789249	HUEDFWSTWKVLKW-DJKKODMXSA-N	560.275	7.506	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408789780	LHEYWBFNGPREST-QGMBQPNBSA-N	550.269	8.132	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1	408797312	RCONFVQSMPHGAB-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798077	UPIOZAUJALXULX-YDZHTSKRSA-N	683.315	7.896	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	408825097	AEFGGYLDMVEYMJ-DEDYPNTBSA-N	600.840	6.643	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1F	408830589	YRKYFBAUFJRYQO-QJOVZPHJSA-N	659.499	7.548	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)/C=C/c1ccccc1	408838681	HBGCVGSQDKZYJD-NYJWXDMXSA-N	623.662	5.746	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5cccc6ccccc56)c(I)c4)cc3)cs2)cc1	408838995	LJWDDYLKQYXFEN-OEPDXVHDSA-N	773.494	9.725	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840199	YJJKQAIJYZHYDM-AABVJFSESA-N	682.946	8.294	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408847527	SRLNKGVZNFZVNY-KVAAJVFYSA-N	688.074	7.005	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccccc3/C=N/NC(=O)c3ccc(NC(=O)c4ccc(Br)cc4)cc3)sc2c1	408848243	UYIXMOZWCBIYGG-KVAAJVFYSA-N	646.950	7.861	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1F	408849234	VQOVWHLFFUCRKD-ICUTVXMZSA-N	547.630	7.333	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1Cl	408852566	UGGXVBAWUKVJJW-RHKOWXKBSA-N	560.097	8.178	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Br)cc1	408856351	HODNTBVMPULQTA-VCHYOVAHSA-N	624.251	7.754	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)c1	408860282	XTPXFHXFJKKJTE-OKCVXOCRSA-N	556.471	6.216	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408863638	PVZVBOJKXLAOIV-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Cc1cccc(F)c1	408873748	VJNHYGXEGATXJJ-OVVQPSECSA-N	506.577	6.940	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408888722	ZPQOBUZXGNRKRR-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1OCc1ccc(Cl)c(Cl)c1	408891073	KWVUFMBSGSRVAX-WOJGMQOQSA-N	512.349	6.343	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408939959	JADSHRAMQFRGEL-QDTIIGTASA-N	540.345	5.124	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OC(C)C	408970470	IRWCCCNECABGTM-QBQMGADZSA-N	542.891	5.883	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1Cl	408981296	ANGGGYSJPLIVTJ-NLRVBDNBSA-N	548.473	8.972	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	408997261	DKQRYZHWWPALSM-XSCOCXMISA-N	680.543	5.473	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409055059	HXUCIYZKFYPZEA-LZYBPNLTSA-N	536.293	7.045	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OS(=O)(=O)c1ccccc1	409067558	RHFQBDCOTAXNMV-LDADJPATSA-N	517.344	5.132	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	409110804	GVRLLPIXNQAGQN-RWPZCVJISA-N	518.466	5.205	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)c1cccc2ccccc12	409182481	LNIDXCAZPQKLDT-VROFYKSNSA-N	616.504	7.113	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409191151	TXBWLHROZCIEIH-ZDLGFXPLSA-N	561.376	5.143	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409212040	LNFYZEXSXBJDKV-JLPGSUDCSA-N	528.406	7.408	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409216770	LKSJUKPYLVSAQF-ZDLGFXPLSA-N	500.267	5.982	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccccc1F	409220599	BYOYDJZZRSISNV-WCEBZYJUSA-N	556.375	5.802	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccccc1	409227588	QJFURUDPYRGIHJ-HBFFOVPNSA-N	564.694	7.773	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409242239	WAXNYOVMNCJVJK-UUASQNMZSA-N	604.637	8.553	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409262607	IFJWOODBIZJDAY-WSDLNYQXSA-N	595.437	5.158	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1OC	409316642	LTQFLTMLQJZDLN-NUJZUDFISA-N	505.373	6.273	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1OCC	409318443	WNMCRMWOQGBJKR-LQNQUEJISA-N	524.017	5.617	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)ccc1OCc1ccccc1	409324344	SISVOXSBIKDZHU-ZXSNDDASSA-N	516.597	6.770	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(Cl)cc1	409355394	CIFYVPUEBQTRNP-MFOYZWKCSA-N	642.618	7.101	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccc(Cl)cc1	409370706	TVIYIINUKKBWEJ-JMIUGGIZSA-N	526.761	6.468	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(I)c1OCc1ccccc1Cl	409383870	MRMLHNLQCOKMJL-CCVNUDIWSA-N	594.833	5.703	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)[nH]c2c1	409392850	SMHWICYXOVSNEQ-HAHDFKILSA-N	553.460	7.385	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)c(-c3ccccc3)c2c1	409396031	VOBFHXZLIJXVDO-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396526	VPKZTACPTUZNGP-UHFFFAOYSA-N	636.026	7.898	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(OC)c3)[nH]c12	409397075	FXYSWEJLUNQXBL-UHFFFAOYSA-N	552.030	7.042	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)[nH]c12	409397833	OMXRESMZVXSZKE-UHFFFAOYSA-N	533.584	6.144	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409399009	XIGGPTAELXFFFP-UHFFFAOYSA-N	626.507	7.296	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(O[C@H](C)C(=O)O)c(I)c3)o2)cc1	409405708	UTNDQUDVNOEISQ-DLIVZJNESA-N	627.435	5.487	50	40	KKGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409406325	BTCXSJZZYCIZDV-MZFJOGFUSA-N	542.636	5.647	50	40	KKGB	
CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)cc1	1250177	VXCIOTCGOIIRIE-HKBQPEDESA-N	563.679	7.109	50	40	KKGB	
C[C@H](Cl)CN(Cc1c(O)c(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)c2ccccc12)C[C@@H](C)Cl	1719309	UMMNLWKIUMARBO-TVFCKZIOSA-N	524.360	6.364	50	40	KKGB	
COc1ccc([C@]23C[C@@H](c4ccccc4)N(C(=O)c4ccccc4)c4ccccc4N2C(=O)[C@@H]3Cl)cc1	2057582	RVOUGWLYLPOOAR-QYDYLWNGSA-N	509.005	6.337	50	40	KKGB	
COc1ccc(/C=N/NC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1COc1ccc(F)cc1	2110744	RIGUZRPJELYAQJ-IPBVOBEMSA-N	511.764	5.903	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F	2311234	ALAJJKAABXPETN-QFIPXVFZSA-N	517.960	6.160	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1	2316037	NATICGGTFLMLSI-BZCOGROQSA-N	515.440	7.029	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1cccc(Br)c1	2705742	MQCCVAPZMQMDKF-LGJNPRDNSA-N	572.282	5.153	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4047761	FTUSLFQFJTZVKE-VWJSQJICSA-N	601.328	7.515	50	40	KKGB	
CC1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@H]1[C@H](Cl)[C@@]1(Cl)C(=O)N(c2ccc(Cl)cc2Cl)N=C1C	4266351	LKVYETOLTJCHBV-LVCYWYKZSA-N	567.087	6.647	50	40	KKGB	
CCCOc1ccc(C(=O)[C@@H](CCCCC[C@@H](CN(CCCl)CCCl)C(=O)c2ccc(OCCC)cc2)CN(CCCl)CCCl)cc1	8424724	SZNSPKKJIWTTAN-LQJZCPKCSA-N	732.661	9.072	50	40	KKGB	
N#CC1=C(N)N(c2ccccc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@H]1c1cn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1	8450963	BKYMKLUIMCNFRW-GDLZYMKVSA-N	611.489	7.118	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)NC3CCCCC3)=C(C#N)[C@@H]2c2ccco2)cc1	12250155	UVEZCIQPTRJLHX-AREMUKBSSA-N	504.656	5.359	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)n1-c1cccc(C(F)(F)F)c1	14359663	ZHZVYOYILGKWCV-RQZCQDPDSA-N	512.444	5.338	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	20207099	FTJJYYBTOLRAMG-CVKSISIWSA-N	502.061	5.024	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)N/N=C/c1ccc([N+](=O)[O-])o1	53319525	CGZJGGNLSBQLTA-OKCVXOCRSA-N	571.387	6.362	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(N2CCOCC2)c(F)c1	97981214	FHZDDLQCZNTOAZ-GUBAARJWSA-N	653.151	6.000	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C(=O)OC)=C(C#N)[C@H]2c2ccccc2)cc1	98048584	OYRFRNKXGNBCJR-GDLZYMKVSA-N	610.692	5.356	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(OC)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	98048656	JJEQJXAKPLXZJJ-HHHXNRCGSA-N	528.634	5.557	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccccc2C)cc1	100123271	ORAQPCZFSFOUON-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@@H]1c1ccccc1	102783879	KPJALCWUDYJWRD-XIFFEERXSA-N	571.702	7.313	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(NC(C)=O)cc3)=C(C#N)[C@H]2c2ccco2)cc1	102808334	HQQKNEZROMVIDY-NDEPHWFRSA-N	571.659	5.343	50	40	KKGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1	102948246	PYDDTIPMTCTJFM-ZHZULCJRSA-N	565.051	5.405	50	40	KKGB	
CC/C(=N\NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1ccc(OC)c(OC)c1	102978955	RIFGXOFOWKKHKK-QUPMIFSKSA-N	590.312	6.660	50	40	KKGB	
COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc(Cl)cc4)(c4ccccc43)[C@@H]2C1=O	103597883	GNPQUIKKVFFHKK-RRCLOXMRSA-N	576.052	5.244	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccccc1Cl	103754372	HXHZNHVHAKFBGZ-FMFFXOCNSA-N	564.070	7.173	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl	104898878	ZHYVDHXEYHPWGE-VFLNYLIXSA-N	534.827	6.022	50	40	KKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	105586636	RCKXHIZBKACPDC-YOUFWXEVSA-N	559.544	6.255	50	40	KKGB	
O=C(N/N=C\c1ccccc1Cl)c1ccc(-c2ccc(C(=O)N/N=C\c3ccccc3Cl)cc2)cc1	207354062	GAAKCNUFXJLAFL-KUUUIRGPSA-N	515.400	6.188	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)ccc1OCc1ccccc1	408537414	DVFRXGIBFIOZKI-YSMPRRRNSA-N	676.405	8.622	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2I)c1	408543925	TYWRUTCNRDIHPA-JAIQZWGSSA-N	538.341	5.423	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)c(C(=O)OCC)c1C	408546340	HGTRGQUDDASSFU-MOSHPQCFSA-N	578.668	6.497	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408548581	JAMURDYXXHIIPW-QRVIBDJDSA-N	515.363	7.162	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551602	OLSPGJGXJZYACS-HYARGMPZSA-N	568.496	7.539	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1OC	408579618	IRVOEIRAGDJWCX-KEBDBYFISA-N	543.255	7.180	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1	408637955	OIVPRYGUDWKUHH-JIPXPUAJSA-N	568.497	7.206	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408640093	HGCCKOAKTIZMLG-ZQOVORKSSA-N	610.730	5.199	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)c1	408643650	PXNMAVZJRPWDBN-VPBXCIAMSA-N	767.254	6.383	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408724561	BOESRLZBYZKVHC-JAIQZWGSSA-N	574.302	7.842	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1	408743846	BYULYBMGIZOKNF-ZDLGFXPLSA-N	560.673	7.298	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408747008	XVXSQUUJYDXVDQ-SXGWCWSVSA-N	628.091	7.485	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)NCc1ccccc1	408747111	JIPYUQOVJFRQTJ-FBHDLOMBSA-N	506.787	5.777	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2Cl)cc1	408748126	YUOJXRUGVSYMDN-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(C)cc1	408772795	NBYKYKVXGMMMBK-RRAHZORUSA-N	507.634	5.567	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408791620	ZSGOSUDFFMXKLL-GZTJUZNOSA-N	622.200	5.726	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc2ccccc2c1	408795962	NCWPIILHNSKSAR-MFKUBSTISA-N	541.445	7.434	50	40	KKGB	
O=C(N/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cc2cc(Br)ccc2o1	408812006	AXOAFDBAQHDUGP-ULPWCQAASA-N	541.232	7.269	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1)Nc1ccccc1Cl	408826823	DETZLIPJOZUUGS-HPNXWYHWSA-N	596.131	5.439	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc(F)cc1	408830748	OPOPHOYXVHDIHD-WSDLNYQXSA-N	703.335	8.449	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc(Br)cc1	408834283	VOZVTCYJGFKASF-LFVJCYFKSA-N	603.900	7.815	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(C)cc1	408838848	JFUDKRAAJACCPL-IZYHBKOJSA-N	676.036	9.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408839187	OLWVNNBYAASQKG-HZTVMEOHSA-N	737.086	10.019	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OC	408839482	SZKILHGUXILTRD-IPPBACCNSA-N	585.911	7.141	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408839825	WOKLHMCNUZOKAO-IZYHBKOJSA-N	646.552	8.151	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408841159	FVEXQFXIEDCFHX-JQAMDZJQSA-N	639.235	5.974	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408844385	OEDQLTCVZQVQOS-YLYVUXRMSA-N	730.899	10.018	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccccc2)c1	408862270	DWXLYIMUIVBMPJ-KVAAJVFYSA-N	707.430	6.698	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OC	408862753	IVCXLQYHPCSQJL-DPNNOFEESA-N	656.986	6.588	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408862922	JNKUYOVKBMUFHD-GOJREDGKSA-N	552.118	7.138	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1cccc(Cl)c1	408864247	XWMYCQJAFQMSCY-JEPNHJGPSA-N	665.168	5.630	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2C)cc1	408864819	ZYSOVLNDKHDGSV-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3cc(C)cc(C)c3)c(OCC)c2)cc1	408865735	DTWNQNYPJAKPFK-OEAKJJBVSA-N	533.466	7.000	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)c(OC)c1	408874289	ZVFVJSPQTROVSD-ZVBGSRNCSA-N	522.388	5.685	50	40	KKGB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408877954	YVVKWAYOHKSKLA-DFKUXCBWSA-N	522.648	8.172	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408883279	UQNXHSJGXSJANA-LDADJPATSA-N	531.417	6.014	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OCc1ccccc1Cl	408885782	APXIMBHXZPLABI-CXUHLZMHSA-N	613.666	7.385	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccccc1C	408901078	ZXDULXPYWDIPPE-VXLYETTFSA-N	603.254	6.495	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	408906282	FJLDFPIKMHZZAE-UHFFFAOYSA-N	572.093	7.331	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	408943713	ICZWFCAUIIBAMS-HHHXNRCGSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c(OC)c1	408955684	OVSRXQVTQYBOPL-FKZKYSLJSA-N	775.407	5.428	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(OC)c1	408957091	SGAOSNLVQUEESD-PMJAWKLHSA-N	710.398	6.608	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1	408957816	WIYAYKVOSWRHEX-SVYXRYDESA-N	687.149	5.810	50	40	KKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)c2C)c1	408966224	KOIGGEFYXYAPCJ-RPPGKUMJSA-N	563.246	5.265	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408969055	GLBASUCLIXXSEP-XPESJRRWSA-N	659.397	7.524	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(C)C	408969408	NGXHSOWEWLKUIU-HCOCVVHXSA-N	600.543	6.072	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408970574	BSWJKFMPBSZKAS-BRVKXLECSA-N	572.489	5.436	50	40	KKGB	
Cc1ccc(OCCOCCOc2ccccc2/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)cc1C	408971082	LSFVBSIKYURISC-NCELDCMTSA-N	540.645	5.946	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccccc1	408979311	MKDMYYRXZWLRIO-ICSRMJQJSA-N	549.425	5.227	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2I)cc1	408986110	ZPCSMYHRYHFABB-JAIQZWGSSA-N	542.804	6.686	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	409012464	IEDZOCYLHPFVIE-HKAFWRKLSA-N	592.523	6.581	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409044672	OQYOHCIDHOGXBQ-CAQPMQTCSA-N	581.426	6.915	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2Cl)Cc2ccc(Cl)cc2Cl)cc1	409055953	FPIJTQQGXQBCMU-KVSWJAHQSA-N	559.302	5.950	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	409057807	WOYCHUKRRDNLDN-KKMKTNMSSA-N	566.677	6.525	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(Cl)cc1Cl	409125404	ACGXKNICAZTMKV-HSZRJFAPSA-N	563.279	6.073	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1)S(C)(=O)=O	409142631	LDOYAGRHNIPRFC-FDAWAROLSA-N	532.641	5.272	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)cc1	409160100	XLYJHZQAUGUVOB-DPNNOFEESA-N	639.547	5.750	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1	409166216	CBXUXDHYFWLRCB-VVEOGCPPSA-N	622.303	5.433	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)cc2c1	409187032	LCXQRHIBECUYAX-NTFVMDSBSA-N	503.511	5.481	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccccc1	409227589	QJFURUDPYRGIHJ-VRKJEAOJSA-N	564.694	7.773	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1ccccc1	409231528	JQGUUDPAPZDKSR-VBNMEBLOSA-N	558.245	6.714	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(I)cc1)c1ccccc1	409232897	SUKVLWITTIATFO-OJSPLJLUSA-N	587.255	6.417	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409238173	WARSFKHLSVFSFV-YVLHZVERSA-N	627.198	7.197	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc(Br)cc1	409246557	CTRXNAOIKSIUBG-WKIKZPBSSA-N	597.222	5.473	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409251970	ASDDTEPKHDSJQG-FZKWRIDDSA-N	588.060	6.108	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409252111	SPAOGOZGWRTPQE-ODQASSKESA-N	772.452	8.255	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409261657	CMSYVYRZTFCYPF-RGVLZGJSSA-N	536.382	6.064	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409267247	MSYWZIQQLBVHOJ-PPDIBHTLSA-N	551.224	5.546	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1Cl	409269365	HYBFYONRANXYDC-RGVLZGJSSA-N	538.829	5.652	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OC	409311972	IHVUQMXFEOSISY-FDVSRXAVSA-N	653.311	6.203	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409313507	QCCZUMCYLVBEEO-PMACEKPBSA-N	602.418	5.521	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409319311	DIGJRSQFJCLSKC-PMACEKPBSA-N	568.866	5.155	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccc(C)cc1	409371623	FLYYDEUSEIVAMX-DICXZTSXSA-N	526.387	5.336	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	409372688	ZXTHFHGLUVMLKQ-YVLHZVERSA-N	526.376	5.574	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c(-c3ccccc3)c2c1	409395194	KVMSGKBCMNISRD-UHFFFAOYSA-N	621.285	7.244	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccco1	409395393	NCXYWQQXNGMPAA-UHFFFAOYSA-N	528.362	6.174	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc5c(c4)OCO5)c(OC)c3)c(-c3ccccc3Cl)c2c1	409396785	BCYCTYDJXQGXPH-UHFFFAOYSA-N	598.011	6.217	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397531	KYGNHNVRWVCFNZ-UHFFFAOYSA-N	684.896	8.651	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1cccc(C)c1	409400605	DTLQAYYFRVOIMF-WBIBEUCMSA-N	689.550	7.531	50	40	KKGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409401909	IQCLDJWDDBUMAS-DXJNIWACSA-N	511.578	5.441	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)c(OCc2ccc(C#N)cc2)c(OCC)c1	1529548323	CNAOCYFJYUXHHI-SQTRLNBISA-N	662.168	5.074	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(OCC)c1	1529548515	IBWNYMKGUUCKAM-RNMNIPMUSA-N	746.599	5.293	50	40	KKGB	
COc1ccc([C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@](=O)C(C)(C)C)cc1	1857795190	SDKABLKXTUENDF-JRYPVQGPSA-N	515.659	5.937	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1	2281426	AHEKMMGWOIYZKG-PXLXIMEGSA-N	509.034	6.936	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c(OC)c1	2321234	SHBBRYFXLNFRBM-FDAWAROLSA-N	543.693	5.800	50	40	KKGB	
N#C/C(C(=O)Nc1cccc2ccccc12)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1	2340918	FDZIQSNIVORCHG-TUJXDINHSA-N	510.018	6.558	50	40	KKGB	
O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	2658189	CCEBYTLINVKPCY-WCMJOSRZSA-N	538.032	6.618	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	2670807	AWHBABPWJGYERA-XNTDXEJSSA-N	525.373	6.755	50	40	KKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)c1	3102461	FZNMQBIUPDNNNW-RWPZCVJISA-N	509.400	5.629	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)COc3ccc4ccccc4c3Br)ccc21	4090169	POFSRYSXGSLWKS-MUFRIFMGSA-N	500.396	6.259	50	40	KKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1	12563420	SNHPXIFFJMSRBB-KEIPNQJHSA-N	522.645	6.671	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OCC)c2)c1	18192468	QUEOLLRHGLLNPM-FYJGNVAPSA-N	521.411	6.371	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2cccc(Cl)c2C)cc1	20207032	UJNCDVJTGJLKRS-MUFRIFMGSA-N	528.074	5.337	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cccnc1	59211939	DOAZFFNYFVYTDX-XODNFHPESA-N	539.227	6.103	50	40	KKGB	
COc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	59646436	NXTIQVGPCQHSMN-KVSWJAHQSA-N	568.251	5.881	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccc(I)cc1	59856114	KLPQXRFVEFPERW-ZXVVBBHZSA-N	575.472	5.028	50	40	KKGB	
CCn1cc(P(=NS(=O)(=O)c2ccc(Cl)cc2)(c2ccccc2)c2ccccc2)c2ccccc21	96022245	IZBPMFWSZIMYLJ-UHFFFAOYSA-N	519.006	6.181	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(Br)cc1OC(C)C	97965809	QDAKNNXWQJIEOK-VGOFMYFVSA-N	531.756	6.853	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1	100122788	KAPQVNYZVULXDJ-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1	100228449	NEIMRKMCNOQOKM-BKUYFWCQSA-N	538.385	6.123	50	40	KKGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1	100280509	SJKGIDIKRYQGRW-BIZUNTBRSA-N	576.074	5.594	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Br)cc3)nnc2-c2ccc(C)cc2)cc1	100841159	URXHODXLSONVKM-MTDXEUNCSA-N	550.482	5.646	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C	100988906	KEBFYLHKGYTIAY-NRUOGFOHSA-N	556.902	7.329	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	102807140	NFXAOSCRJXDZCZ-NDEPHWFRSA-N	543.092	6.663	50	40	KKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OCc1ccc(Br)cc1	102933197	HMUWJVCSAHURBB-YVLHZVERSA-N	542.773	6.144	50	40	KKGB	
CCCCCCCC/C=C\CCCCCCCCOC(=O)Cc1ccc(N(CCCl)CCCl)cc1	104151425	AEXGSEOADJOPRF-KTKRTIGZSA-N	526.633	9.094	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104698991	BMQIYQXEMQLGHU-YEISZACKSA-N	536.528	7.594	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341936	ZJTRNBYUXIFYSI-NRFANRHFSA-N	940.539	15.502	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342273	XOICIGZTMAACTH-REOHCLBHSA-N	892.044	10.928	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cc(-c4ccccc4)nc4ccc(Br)cc34)c2)cc1	150448788	PXHGQGGZDLNYFU-UHFFFAOYSA-N	631.508	5.549	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	150577321	POTOHQUTEOLRAA-CHHVJCJISA-N	764.539	7.345	50	40	KKGB	
CC(C)(C)OC(=O)[C@H](CSSC[C@H](NC(=O)OC[C@H]1c2ccccc2[C@H]2CCC[C@H]21)C(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21	169747661	QGWOYZLGEIXRTK-CYKCDOKZSA-N	789.029	8.734	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1	408539974	LFVMZPHGNKFSAM-IDWIKUEFSA-N	565.069	7.814	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1cccc2ccccc12	408543772	SXAAFVSPYAELAD-WSDLNYQXSA-N	557.400	6.434	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)c(C(=O)OCC)c1C	408547132	RQFNYCHLXLMJQM-KGENOOAVSA-N	535.593	5.847	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408552096	OEELSQILMHQMGD-NSIKDUERSA-N	669.113	6.990	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554036	YKIKLFRBIYLUHG-GIJQJNRQSA-N	650.300	6.787	50	40	KKGB	
Cc1nc(-c2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(Br)c3)cc2)cs1	408555888	ZKKIXSFFRQNZDB-FTCYSYDXSA-N	618.340	6.969	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2I)cc1	408570811	YWRDFMGWGMAMPK-RWPZCVJISA-N	604.535	6.186	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl	408579951	LWQKIKDHNYAJGP-XNTDXEJSSA-N	509.208	6.588	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1I	408586309	MRUPJAHUKSCERU-ACAGNQJTSA-N	584.022	7.054	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)CC2=O)cc1	408605333	JRNQMYQKWDEXTO-FQEVSTJZSA-N	524.017	5.213	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408675929	CKIFDAGBDMGAGF-OCSSWDANSA-N	556.888	6.444	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc(I)cc1	408711865	OHDOCDKVQCXSGQ-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	408719785	SDWVBWMODDLICW-GMECBSATSA-N	546.026	5.236	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4cc5ccccc5cc4O)cc3[C@@H]3C=CC[C@@H]32)cc1	408751296	BBPKKPZUZTUKNL-KISTWXJVSA-N	503.602	6.535	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408762515	BXMAJJCTNSSTNI-LDADJPATSA-N	620.319	6.232	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1	408768533	GUTHWZAYJBPMAW-NDENLUEZSA-N	509.375	6.500	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408777541	BQWMDSCUBTYNMB-MFOYZWKCSA-N	611.238	7.260	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1Cl	408789406	PWEWTGTUYKENMK-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC	408792083	HNTDMBWDAVSYII-XNTDXEJSSA-N	506.194	5.721	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408792464	ADCBKESCRJIPRF-QGMBQPNBSA-N	550.269	8.132	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1	408793223	DHZQPNXJEJCRKR-DEDYPNTBSA-N	518.400	6.719	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408794840	KFRLXHCGOSSZMY-CPNJWEJPSA-N	510.331	5.424	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1	408798220	VJCCUFROEVJZIF-VCHYOVAHSA-N	607.673	7.140	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccccc1F	408811243	AGWSDFDZVXNAMF-SXGWCWSVSA-N	503.730	6.505	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408817708	YHFVKCHXJZUKHD-JWGURIENSA-N	555.103	7.486	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)Nc1ccccc1F	408823193	MZCRDAADESLMRS-NCELDCMTSA-N	517.991	8.149	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)c1	408830521	NNVISQOMTJJDMO-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c(OC)c1	408835622	OPAOFQYAHISMMV-ZMGVVAQMSA-N	645.521	5.084	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408835760	YGRUZYXKUSXKED-OEAKJJBVSA-N	608.319	8.460	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)c(Br)cc1OCc1ccc(Br)cc1	408842684	BWUVEELLIACMOW-KGENOOAVSA-N	612.362	8.032	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1	408843455	MTLIIPPLHNUEMW-RVDKCFQWSA-N	733.323	7.684	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC	408845304	VUAWOVIUTTXQQJ-VFLNYLIXSA-N	630.430	6.166	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1	408847202	PXWFHKLEFIQPMW-FZKWRIDDSA-N	551.046	6.976	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408860224	WXCKTMDWQFHCBC-XICOUIIWSA-N	612.752	5.790	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408861074	MEAPNUKJGIOXOT-VVEOGCPPSA-N	643.387	5.877	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1	408863991	WBGUVIIZPBVJBJ-XZKBKLFHSA-N	619.143	5.250	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408877108	SUBSYORORNLBJJ-IPBVOBEMSA-N	588.738	7.239	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(C)(=O)=O)cc1Cl	408880700	IDBTWABEMPZUNH-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c(Br)c1	408882674	RSDQMQIEOKVEKY-RQZCQDPDSA-N	684.020	8.170	50	40	KKGB	
COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)c2)cc1	408890642	XAAVGQKKGYDPMZ-QGOAFFKASA-N	524.314	5.065	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OCc1ccc(F)cc1	408922480	FKGHZPSMOSHDKV-RPPGKUMJSA-N	538.744	5.435	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)c2)cc1	408925148	QDXQVWVOBXHENC-CJLVFECKSA-N	511.559	5.112	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2I)c1	408925227	QQGQCTUOWYFSEJ-OMCISZLKSA-N	734.115	7.544	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)c(I)c1	408944193	ISIJETHSAPBPSS-MUUNZHRXSA-N	719.001	5.409	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccccc3)ccc3ccccc23)c(OC)c1	408955709	OZMMEUMQYNRRII-QDJKUCHDSA-N	622.678	5.148	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408962969	WMYOVEPWNQIOCP-KKMKTNMSSA-N	523.885	5.044	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408966835	NSOQGBHIZLBZRC-VPUKRXIYSA-N	598.199	5.960	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccccc1Cl	408972467	UDBAYXRIRFJSBO-AASFFQPYSA-N	552.071	5.296	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1Cl	408984882	UBPICTOLEZQJEE-ZDLGFXPLSA-N	654.673	6.982	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)c3ccccc32)c1	408994909	HTHXWJZDRIWVAW-KKMKTNMSSA-N	541.243	5.993	50	40	KKGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1cc(Br)c(Sc2ccccc2)o1	408995391	CESPJVDTVLRRTJ-SSDVNMTOSA-N	510.207	5.485	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2cc(Br)cc(I)c2o1	409011841	IVIFOZFFCZRYMR-VYVUJPJFSA-N	861.437	8.005	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409016747	VNZUPZBVAJERLN-UACWCTJZSA-N	643.784	6.567	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	409033590	FRMYJNPXCPQHOE-OCSSWDANSA-N	533.053	6.935	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409085741	ZVCFNOFBLIFLAP-RQZCQDPDSA-N	590.352	7.340	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2cccc(Cl)c2)cc1	409118492	QOLHYXMRXNUNMD-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccccc2C#N)C2=C1CC(C)(C)CC2=O	409124148	KLUMRZFGCVGJOH-AREMUKBSSA-N	561.480	5.282	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccc(Cl)cc1	409134394	PCRYSLPHQJPMQJ-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1Cl	409147986	NYUCBBMLXABSCX-SANMLTNESA-N	614.968	6.463	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1	409167892	JVGLFBWLWVKDJR-ROPCREHHSA-N	674.390	5.436	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(O[C@H](C)CC)c(OCC)c3)cc2c1	409187140	MRGWCALYZZPDOR-ZASWBZMTSA-N	550.393	5.776	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1	409205136	MKRVLIIASUXQLU-JFLMPSFJSA-N	501.808	5.773	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	409226143	PEHWTVZQMQBRSE-LQNQUEJISA-N	567.514	5.047	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409232560	RDQXVAXTTNLZCK-DBFSUHOCSA-N	554.243	6.566	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409254749	JGJCOGQROVFJGW-MHWRWJLKSA-N	512.349	5.271	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409258032	VUGSZTFWTYQLQI-PPDIBHTLSA-N	575.803	5.109	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)c1C	409265269	RRBDPJTWDNRNPX-NVMNQCDNSA-N	617.725	7.045	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2Cl)cc1	409270419	FTJDRCBRJVDGQI-PPDIBHTLSA-N	579.676	5.955	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(Br)c1	409271803	NGLWUXKXDFHYJQ-YVLHZVERSA-N	603.698	6.737	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC	409320015	OQFOJHGZRKKTPG-VYYCAZPPSA-N	558.385	5.116	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1OCC	409330544	BGOMHNCBBLLCHY-FDVSRXAVSA-N	592.405	5.579	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409361185	AETBIICKFZWJCE-GZTJUZNOSA-N	511.912	5.580	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409388014	ZSKMGZACLRRQFN-VFLNYLIXSA-N	662.437	5.733	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C)cccc2c1-c1ccccc1Cl	409395796	RWBFICVSLLZPRD-UHFFFAOYSA-N	651.344	8.204	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396300	KMNQBYLQCROVQL-UHFFFAOYSA-N	547.611	6.534	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(F)cc1	409402048	IYGYCUTYSRZLQO-GLJXUZQSSA-N	607.682	7.485	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1Oc1ccc([N+](=O)[O-])cn1	409402308	JRWWNFCWAPSCHO-MJXLXAJKSA-N	660.481	6.897	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(N)=O	409406452	WUKMZGOLTKTIOE-VKVKMMGJSA-N	674.346	5.428	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	854003	MOSIBILIFAYHMG-VOZFUJEASA-N	502.596	5.356	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Br)cc3)n2-c2ccc(Cl)cc2)cc1	1836331	LRNIUTUOKOJKRE-MZJWZYIUSA-N	540.874	5.901	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1	3114599	YHFXZUXSTYUBFV-PPOKSSTKSA-N	528.564	5.971	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C2CCCC3=O)sc2c1CCCCC2	3666028	PYCPEORLUHYKRF-JOCHJYFZSA-N	518.595	5.017	50	40	KKGB	
O=C(CCCC(=O)N/N=C\c1c2ccccc2cc2ccccc12)N/N=C\c1c2ccccc2cc2ccccc12	4962715	JKFQBDDVDXOSDR-CKPXSJKLSA-N	536.635	7.070	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccc4ccccc34)n2-c2ccc(C)cc2)cc1	9186525	ILKCXTGTAXLIJE-NJZRLIGZSA-N	521.646	6.037	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C(C#N)[C@@H]2c2ccco2)cc1	12250163	FRYJJIFAEULQQD-MUUNZHRXSA-N	526.662	6.165	50	40	KKGB	
COc1cc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)ccc1OCc1ccccc1	12251043	YWKOFBSZSVYIFK-HSZRJFAPSA-N	518.038	6.147	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)cc1	13286327	NSMGZJANGQROKK-DXJNIWACSA-N	512.034	7.614	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@@H]1c1ccccc1Cl	20347842	FBLMDDSDGZBFLR-QFIPXVFZSA-N	510.059	5.384	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1OCc1ccccc1Cl	58871565	JNQFEYKIFCBKJA-ZCTHSVRISA-N	500.982	5.314	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H](N[C@H](C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1	59100887	MSZYQWCTAUZISV-ACHIHNKUSA-N	589.534	7.191	50	40	KKGB	
c1ccc([P+](C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	59296876	NNZHWVCYJHRXQF-UHFFFAOYSA-N	538.611	6.932	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Cl)c(C(F)(F)F)c1	59647239	FZGSXURWPGDZRX-AMVVHIIESA-N	533.959	5.582	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1	59857582	DRIGXQQUESPCSL-ZCTHSVRISA-N	562.047	5.289	50	40	KKGB	
O=C1[C@H]([C@@H](Br)[C@@]2(Br)C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1	95100230	KOMNALVZOLETHI-BVPGVAIFSA-N	732.345	6.218	50	40	KKGB	
O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31)N/N=C\c1cccc(Br)c1	97951528	IDBFEIHMCPENMX-HODYDLGBSA-N	533.514	6.295	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cc2ccccc2cc1O)c1cccc(F)c1	97961097	FSUSINVMPGNLKG-VFLNYLIXSA-N	586.211	6.193	50	40	KKGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)c1O	97962647	UXJZBZJQGKBCFH-CZJOPBCESA-N	634.300	5.052	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C(C)N1	98048714	QJHBIYRFGXDCGX-GDLZYMKVSA-N	574.102	6.550	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1	100139729	BFHPXIMGSGDZSY-ZXSNDDASSA-N	619.143	5.050	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	100141581	PWGAZNFUPPFAGL-ZMGVVAQMSA-N	613.523	5.683	50	40	KKGB	
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	100451494	GQZLZKYIBVUTLZ-KEAQLFMESA-N	544.611	6.683	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccs3)cs2)sc(C(=O)Nc2ccccc2)c1C	101040726	BDHHUBVZQJWQRT-DTQAZKPQSA-N	520.661	6.647	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OCc1ccc(Cl)cc1Cl	102016230	TZXHMKPOQOZHDQ-KKMKTNMSSA-N	532.474	6.433	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	102718588	TVQNZAIBCALYJG-MUUNZHRXSA-N	559.091	6.445	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1Cl	104096237	GFWAODJPAWLEFF-UDWIEESQSA-N	530.415	6.675	50	40	KKGB	
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1ccc(N(CCCl)CCCl)cc1	104383334	XWAWKBAEIRFXRI-WPWMEQJKSA-N	504.289	5.019	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1OCc1ccccc1Cl	104580082	HOKQENGUQXIDBP-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164734728	VOLFCVSIPBIOET-NSIKDUERSA-N	696.981	8.792	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Br)cc1	164741676	MJIPLCPQPPLIQP-SXGWCWSVSA-N	658.117	7.494	50	40	KKGB	
CC(C)(O[Si](C)(C)C)c1cccc(Br)c1-c1c(Br)cccc1C(C)(C)O[Si](C)(C)C	219793079	DZCZFATVIFDNKX-UHFFFAOYSA-N	572.530	9.052	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCc1ccccc1Cl	408527068	DVLGXWXSPSCAJN-MZJWZYIUSA-N	517.807	5.609	50	40	KKGB	
CCCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408533228	QEAUQYREWCVZTH-OKCVXOCRSA-N	539.488	7.803	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Br	408538572	ABEJPYAQDRRNKK-YBEGLDIGSA-N	540.683	7.370	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OCC)ccc1OCc1ccccc1	408538581	OWLZPTQOTLPQKS-STBIYBPSSA-N	597.111	7.519	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408540155	NUYHBMQJBKXLJD-MTDXEUNCSA-N	550.611	7.614	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408549623	VWJCIIBZJXGIKD-MSXFZWOLSA-N	561.375	6.794	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408550628	FWBYXAUTNJJMRR-LJUMEUDFSA-N	542.463	6.516	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1	408578668	AHBHFSCDFSXTDW-VXLYETTFSA-N	501.193	7.302	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2Br)c1	408581873	ZNOFRQRRDWGTAH-LICLKQGHSA-N	516.222	7.146	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3ccc(Br)cc3)o2)N2C(=N1)SC(C#N)=C2N	408602594	CTDCZOPVURFYLY-QFIPXVFZSA-N	532.423	5.733	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408643102	ORVOLDAQMJPETF-VUVCYMEASA-N	535.855	5.652	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408682979	MCFCQWDLJXWHFA-FSMQDNEQSA-N	566.677	5.183	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2-c2ccc(-c3ccccc3)cc2)cc1	408723908	AEARFGKTFGGRKB-HNSNBQBZSA-N	525.439	7.585	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Br)cc1	408726982	XIJBFUHOXIDANG-HMAPJEAMSA-N	505.412	6.589	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c1	408743457	AIYJLRUCXGAMGO-NVMNQCDNSA-N	574.244	6.874	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408748052	XRVRDTLTTVFANF-NDENLUEZSA-N	596.706	8.143	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408760193	UEPJPHOLMRCTFD-HURRVSFDSA-N	701.481	7.096	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(I)cc1	408764817	SVXYMWXSBKVQFE-GZTJUZNOSA-N	546.206	6.007	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccccc1	408783816	NHAHLCHHYFFPLQ-MOSHPQCFSA-N	506.400	5.648	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408792178	JCKOTMLLUCRBED-ZVHZXABRSA-N	681.324	7.508	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408794936	JREAWGWBRXXXRF-CIAFOILYSA-N	505.958	6.388	50	40	KKGB	
O=C(CNC(=O)OCc1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408811587	MPNNMPJSQWNMAQ-VVEOGCPPSA-N	509.393	5.373	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408826130	CAIHXUHOAVSEGL-VTNSRFBWSA-N	614.507	6.084	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(C(C)C)cc2)cc1	408828046	IOKLHZNAHHMOMT-QXUDOOCXSA-N	570.759	6.488	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	408836920	WZJCYGQHNJHDJF-OVVQPSECSA-N	593.510	9.159	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408840059	XIKXCSVILZNBPR-WCMJOSRZSA-N	566.397	6.221	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(Cl)cc1Cl	408840482	BZYOGUPQLGMQAH-JAVXJAORSA-N	749.380	8.487	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)cc3)cs2)cc1	408847519	SOZQDFZINVMLMK-ATZGPIRCSA-N	642.535	7.876	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408864400	ZVPKAEPSRPEJNU-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1ccc(C(=O)O)cc1	408880928	JGAQESLGAVJCEF-SSDVNMTOSA-N	642.446	5.208	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OC	408888575	XIYAQDSTSJRNGY-KPKJPENVSA-N	517.150	5.551	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408893020	DRZRSXSVAPOUFT-LZYBPNLTSA-N	581.091	7.643	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OC(=O)c1cccc2ccccc12	408893645	GIPMJRVXPQCMMB-LTGZKZEYSA-N	588.401	6.608	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	408896182	PYBMTONYWHBSCE-ZCTHSVRISA-N	543.417	5.363	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	408896929	OZAWFTWHTXWRSN-RGVLZGJSSA-N	506.356	6.099	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)c1C	408910254	JECVELKHPRGQNQ-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408922946	HTZRYSHCQHXESH-HPNXWYHWSA-N	600.781	7.299	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	408945189	KLMNMDICXGJKRM-RUZDIDTESA-N	587.485	5.138	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)c(OC)c1	408947545	BAPSZODPNHLHFJ-FXOQEBJASA-N	695.567	5.156	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408962146	GXYJCKGRKKNVCB-VPUKRXIYSA-N	590.621	7.227	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C#N	408964565	VHABDRMKMCSZKR-JRLKUCENSA-N	645.543	6.098	50	40	KKGB	
CCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408969648	RMMBIWZVHHNVAG-ALSJULMGSA-N	528.436	5.037	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408974110	XHGOKEZPJNVWAM-ZLJOWREDSA-N	558.462	5.046	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(C)n1-c1ccc(I)cc1	408997792	IBSPPIQUPFQHCX-QUCVJYLXSA-N	616.500	5.259	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Cl)cc1OC	409016637	VDOONRJSDJDBKH-NUGSKGIGSA-N	577.600	5.625	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCOc3ccc(Cl)cc3Cl)c3ccccc32)c1	409018207	SYFGJZQIDJIGMZ-KRSSLAFTSA-N	655.626	7.650	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409019380	RODFYHHVRFPHLP-BVMLUPFRSA-N	533.968	5.093	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2cccc(C)c2C)cc1	409027962	VVJGTYCMAVGNLM-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	409036046	KBRVNSUBSJNIIJ-SFQUDFHCSA-N	588.447	6.248	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409041959	LMXGXSYRWPLBFF-WOJGMQOQSA-N	554.828	5.983	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409044308	BDBPLNXXAUAPAT-FYJGNVAPSA-N	548.437	6.028	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1	409048046	QRHLHDRVMDZCQC-LICLKQGHSA-N	576.672	6.998	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1cccc(Br)c1	409064566	DHDAXOHBJIDQSX-OKCVXOCRSA-N	527.422	5.475	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)c(C)c1	409071463	OSJBQDORNQWOKM-CPNJWEJPSA-N	511.397	5.379	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409092526	WSTUZGYTUURLRI-MHWRWJLKSA-N	623.325	6.955	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	409186601	FKTIXYLXZZQVRZ-BKATUZMVSA-N	705.450	9.679	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)cc2c1	409186950	KBEHEKIJILTJCS-FDVSRXAVSA-N	582.407	6.244	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4F)c(OC)c3)cc2c1	409186999	KRGFRLHNFVBFRT-NUJZUDFISA-N	541.373	6.085	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)cc2c1	409187071	LOUPKOPDPUGYDK-ACXHZZMFSA-N	594.462	6.083	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)NC1CCCC1	409192230	VUKAIMJYVDNVHW-BOPFTXTBSA-N	598.222	5.441	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Cl)cc2Cl)cc1	409226930	WMJMBCIMPBJFRQ-KYHGBAKBSA-N	591.407	6.066	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)c1ccccc1	409242841	PHOMMMBQYGJGJY-VJOZSWGJSA-N	522.374	5.390	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)ccc1OCc1ccccc1	409327467	UISTYOUUKNRMEU-KMUKQRDJSA-N	694.522	6.709	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1	409384781	FLVJDYAJBXHZAM-GRSHGNNSSA-N	514.807	5.786	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2F)c(C)c1	409385813	KYKQKZSUTVIDMY-XDHOZWIPSA-N	522.374	5.768	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(Br)cc1OCc1cccc(C)c1	409390885	GDTDEQRIEXRPFY-JAIQZWGSSA-N	518.411	6.684	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395107	JZUQOXADUXIKBM-UHFFFAOYSA-N	736.247	9.803	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(C)=O	409396838	BTUWXXQPXXCLHS-UHFFFAOYSA-N	626.463	6.514	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397367	JDEVKBSIUHAIPG-UHFFFAOYSA-N	630.926	7.859	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397461	KCVDZCOXWZWZOJ-UHFFFAOYSA-N	552.030	7.179	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398174	RMUZHXHEXRJSPG-UHFFFAOYSA-N	656.953	9.330	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409406227	WHMVIBLQRMYMEZ-OFSKBFHASA-N	608.489	6.123	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1875868	JBNTXBWLSWAWCT-WCMJOSRZSA-N	568.530	6.790	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OCc4ccccc4)c3)nc3sc4c(c3c2=O)CCCC4)cc1	2594260	ZDKGLDBKCDOLBZ-ALQBTCKLSA-N	594.762	6.456	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1C	3028483	PINMPJWMMZTYOU-BHGWPJFGSA-N	512.242	5.355	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Br)c1OCc1cccc(C)c1	3255660	PJXVDBQNCNZBCL-VXLYETTFSA-N	593.827	7.953	50	40	KKGB	
CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	3301280	VDIFOHDYTJHTPS-MHZLTWQESA-N	595.021	6.570	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1	6279996	QSASOXXZABVJPK-VEILYXNESA-N	506.031	5.537	50	40	KKGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)COc3ccc(C)cc3Br)ccc21	8386952	WKCKYJMAQHUHFF-UXHLAJHPSA-N	535.442	5.785	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2c[nH]c3ccccc23)n1-c1ccccc1	8396510	AGYZTHDPNWBXEH-OESOLJMPSA-N	635.535	5.905	50	40	KKGB	
CC(C)(C)OC(=O)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1	8448657	YFWOQBJKRYYPKI-SJQUQUAPSA-N	510.421	6.389	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(CC)cc3)N(c3ccccc3)C2=O)cc1	12273784	KRZFPNQAJZXFMC-HFVAWESISA-N	525.630	5.491	50	40	KKGB	
O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1OCc1ccc(F)cc1	16035412	GMNZYYNUMXQEFE-QCFMCPCVSA-N	515.588	7.638	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)c1	18192475	ZYPGXWAYXGZBBV-DEDYPNTBSA-N	507.384	5.981	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	59856493	JSRFYHSXJVWKDB-AWSUPERCSA-N	557.672	5.643	50	40	KKGB	
CCOC(=O)[C@@H](Cc1ccc(OCCc2ccc(CC)cn2)cc1)SS[C@H](Cc1ccc(OCCc2ccc(CC)cn2)cc1)C(=O)OCC	72132687	XXXWCSPZHMJCDV-XPSQVAKYSA-N	716.966	7.874	50	40	KKGB	in-vitro
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccccc1	98048702	CTOPZERLZOZOCX-NDEPHWFRSA-N	538.673	6.019	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccs1	100056386	XGSGAWUFUJIAGL-LQKURTRISA-N	534.435	6.106	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Br)c1	100119255	PREMMDQDYMSFHB-KBVAKVRCSA-N	613.965	6.240	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	100183493	JXKZMMIPKJRNKA-NDZAJKAJSA-N	574.099	5.272	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1	100289553	JRAJTGPTZYSZDT-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc2ccccc12	100326850	XYXUIZDLGCUGSC-MHDJOFBISA-N	571.393	6.902	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	100326886	YDOXITNMLYRTCO-UVHMKAGCSA-N	522.226	6.036	50	40	KKGB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1	101007189	RURSDICQMDFEAK-OOAXWGSJSA-N	617.749	5.275	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1)N2	101147844	NCAUWHCQRGJPCQ-KELSAIANSA-N	515.418	6.985	50	40	KKGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1	101395120	CLALXCXUSFKVNT-HSZRJFAPSA-N	530.989	6.087	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	101562736	ORORXFTWIFGTGW-MHZLTWQESA-N	548.039	6.290	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3C)=C(C)N2)sc2c1CCCC2	102760524	XTUQLTIMDJYNES-HHHXNRCGSA-N	616.765	6.412	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)N=C3CC(C)(C)CC(O)=C32)cc1OC	102929717	YSDASPZBOIWTHO-AREMUKBSSA-N	517.651	6.290	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C(/Nc1ccc(Cl)cc1)SCc1ccc(Br)cc1	102932207	DEGWTHDJKGTXDT-XTQSDGFTSA-N	533.278	7.475	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nnc(-c3ccccc3)[nH]2)c([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1	103599603	JPGUODKVCBINRX-MWLSYYOVSA-N	534.557	6.194	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103889685	XBNQVNDWPBIZEV-YBEGLDIGSA-N	567.185	6.862	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4cccnc4)(c4ccccc43)[C@@H]2C1=O	104364621	SCEJZDARMPRAIL-NSXLFHFSSA-N	547.014	5.010	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342068	VGWQONANBALUGH-UWTATZPHSA-N	642.009	7.752	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	150385211	LPIQIEZHQKLNJO-CHSHITCJSA-N	680.057	8.522	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cccc(C#N)c1	150544381	YSPQJZHWCMOQAY-WSVATBPTSA-N	657.076	7.717	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	408538567	OVPZKNBDFOJXPR-CPNJWEJPSA-N	508.968	7.652	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c(C#N)c1C	408546658	LOXMBXOQFRPULE-UFFVCSGVSA-N	574.456	6.037	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(I)cc1	408551986	QOGOCHMNOTZGLG-CFRMEGHHSA-N	610.289	8.249	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Br)cc1	408565806	AQZDYQSSFMDYDV-ROTLSHHCSA-N	610.202	5.313	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408567942	QSGZIWJLSXAOGU-CHHVJCJISA-N	517.185	7.414	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408570570	WWQVZYWPZBJWJE-VVEOGCPPSA-N	642.424	7.351	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1cccc2ccccc12	408570934	ZQEHTFDKOMQACY-JAIQZWGSSA-N	528.381	7.269	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	408581685	YWQXTVWWIOBBBI-UDWIEESQSA-N	525.830	6.891	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408644943	RZVLMEGLKZUOGG-ARESOWRYSA-N	553.845	5.791	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408645197	HSZAUWXEWJRGHF-PTGATOOUSA-N	766.226	6.712	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408660189	WKTOMXHUKZXTGK-MGPZNPJPSA-N	657.186	5.790	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408687874	VHUBXXQBHHEXFT-MUJBESKKSA-N	601.122	5.329	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)c1	408743883	CEIMVFGVKRFBKW-LSCVHKIXSA-N	555.812	6.355	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)c(I)c2)ccc1I	408747985	WPBYPOVXHNHYJR-RPPGKUMJSA-N	630.195	5.386	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OCc1ccccc1	408749212	LNOXOGKCDDEPSV-LGJNPRDNSA-N	589.480	5.731	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408761231	DCUBMXOCPZIMEH-OPEKNORGSA-N	603.234	5.204	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc2ccccc12	408766268	TUAGQCIAHIHVTO-FYJGNVAPSA-N	562.261	7.489	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1cccc2ccccc12	408787549	BSJKWDRDECIPJL-FYJGNVAPSA-N	547.836	7.389	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1ccc(Cl)cc1	408789496	JPQQHUKNVJUXAG-QGOAFFKASA-N	514.750	6.069	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1	408789522	JVFZUKAJFTYVJE-FYJGNVAPSA-N	549.377	5.449	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1	408791810	CVUFVWAYWIHOOS-UDWIEESQSA-N	566.408	6.279	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(F)cc1	408793133	DENIWSMQXYDEHZ-RGVLZGJSSA-N	556.375	6.180	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408796758	OZQKWBYMYJJKLV-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccccc1Cl	408810384	IVOXGRIFNHFTCX-MOSHPQCFSA-N	525.805	7.095	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccc(I)c(O)c2)c1Cl	408812369	MULUULMHUABRBZ-KIBLKLHPSA-N	588.185	5.581	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1	408822832	MLAOKNONFPPHOV-LPEPFOFCSA-N	654.359	6.373	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408827425	HGRCNQRNFLIZNO-PNQUVVCRSA-N	663.805	6.222	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408830488	SCGNSMFUAUULBA-KCSSXMTESA-N	642.959	6.036	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1cccc2ccccc12	408833757	UUZULZIGNAEVAI-WPWMEQJKSA-N	653.960	8.968	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)c1	408838003	BJMXEUPOPKOESW-VTNSRFBWSA-N	546.410	6.537	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408839177	OITZMDUBTGILJS-AABVJFSESA-N	692.979	8.229	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)c1	408840008	ADICEGONABBCEP-AMVVHIIESA-N	511.573	6.314	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)NNC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408840396	BDOGKQXFAQHNAE-AWNIVKPZSA-N	554.853	6.044	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)Cc1ccccc1	408841137	FSCYKNXCKPTDSF-XICOUIIWSA-N	611.651	5.275	50	40	KKGB	
O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408848649	XNURZVIQLCQYQP-STBIYBPSSA-N	502.043	6.571	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408849449	YSFCHOWGZWCVNN-KKMKTNMSSA-N	502.810	6.878	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Br)cc1OCc1ccccc1	408854601	JDOODIVDHLTGQB-FDAWAROLSA-N	546.465	6.598	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408861775	DBJXPZPVSZYFTD-MUFRIFMGSA-N	562.475	5.221	50	40	KKGB	
Cc1oc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1Br	408861863	GJPLXRAGMUYTPN-BHGWPJFGSA-N	545.242	5.003	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408862495	KMEIBEPGBRUAAS-JBCPZZPVSA-N	568.320	6.974	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1Br	408885686	DWUILHSRSLZUFK-FYJGNVAPSA-N	539.857	7.188	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1	408885950	BVEXACFDTGVFFY-RGVLZGJSSA-N	536.382	6.107	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408889843	JUCIPGQLQFQGSO-LGJNPRDNSA-N	527.813	5.577	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408890378	SBZDCBIKOSQQPL-UVHMKAGCSA-N	585.436	5.719	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1cccc2ccccc12	408898110	UOXHKRLUBHKLKN-WCMJOSRZSA-N	567.867	7.006	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	408925056	SOKUVVMLPBZYJD-OPKDQHEMSA-N	736.403	5.682	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	408971534	HVWLAQOBLFLDDA-KIJHPLQYSA-N	529.808	5.004	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccccc2)cc1	408978347	IIQYJGVZFCQGQU-NYRFQVNLSA-N	527.646	5.134	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1Cl	408982485	HIJZUYNINYSBKO-SOFYXZRVSA-N	585.112	8.496	50	40	KKGB	
O=C(COc1ccccc1Cl)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	408992073	QIPPCWKSCKHZHB-GXBUFBABSA-N	540.450	7.647	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1	408994607	ZWZLMVBCXRISQC-LFIBNONCSA-N	565.032	6.731	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408999161	SUESPUAFVIDYLQ-KBVAKVRCSA-N	601.413	5.901	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	409013463	KLQRINQNTUKCLM-YHRGCQSYSA-N	550.486	6.748	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	409025872	ZCNHFZXPXYEAHG-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(F)cc1	409037793	NSRUQEKUIVFPAJ-KMUKQRDJSA-N	598.472	7.545	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409047046	MGYZNGHNKURZTH-LZYBPNLTSA-N	575.188	6.384	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409047613	PAVADXCTTCXFQR-YBFXNURJSA-N	579.407	5.628	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)Cc2c(F)cccc2Cl)cc1	409055810	BFBRNXFTVQDBOR-DPNNOFEESA-N	580.081	5.708	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409071628	HQYPAUIWSZFCMR-RGVLZGJSSA-N	523.339	6.097	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409085330	YWUPDALMJZBJQU-LICLKQGHSA-N	634.361	6.899	50	40	KKGB	
COc1cccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c1	409187489	RCFGOFASBDSYFG-WGARJPEWSA-N	532.232	5.492	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NC1CCCC1	409195759	VVFGZDGORXIHDE-SXGWCWSVSA-N	504.768	5.555	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1ccccc1	409252786	TVBCGBXRUUJSJJ-IWEBCOIVSA-N	760.151	6.864	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409257411	QSJSCDIUWPYDQN-QJOVZPHJSA-N	619.747	7.351	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OCC	409309427	HAAQTIRCQDKTJF-UHBFCERESA-N	573.871	6.418	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C)cc(C)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409313984	RGRBRLWSOIHORY-YADHBBJMSA-N	562.475	5.119	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	409318150	XIHXLFQQVZQTST-MZFJOGFUSA-N	523.589	5.364	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)NC(=O)C[C@@H]1c1cccc(Br)c1	409320022	OSFYSGWWLRKXFS-CQSZACIVSA-N	511.228	5.466	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1OCC	409321243	HCBWZALMHXGQKV-UHBFCERESA-N	557.416	5.903	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1cccc(Br)c1	409327169	QMLFFNAMVKIGSB-ZWKOTPCHSA-N	526.239	5.427	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1OCC	409336388	RXUMZWCQXWHQRJ-MNDYBZJGSA-N	535.855	7.177	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)Sc1nc2ccccc2s1	409383950	QZBDODROJQQDNW-GZTJUZNOSA-N	513.869	7.948	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)cc1	409395488	OFJABOSSZXXHMH-UHFFFAOYSA-N	611.496	6.655	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397198	HIJUVPGVDRYXEM-UHFFFAOYSA-N	514.541	5.698	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409400705	FDUPSSHJNAXXDI-AEVGBRMKSA-N	648.543	7.933	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409404140	OWDAXZDNINCDJP-ZDSCIVGOSA-N	574.590	5.269	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1Oc1ccc([N+](=O)[O-])cn1	409404953	RMVROGGKJZAWTE-MJXLXAJKSA-N	707.481	6.739	50	40	KKGB	
CC[C@H](C)Oc1c(Br)cc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409408815	LTHFFSJNZDHEPM-GYJUCFALSA-N	598.925	7.623	50	40	KKGB	
CC[C@H]1C=C(C)C[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC	1083819340	KASDHRXLYQOAKZ-FCGXLOSFSA-N	810.466	5.719	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	1302576	VCEPFXJSVLSAPT-RUZDIDTESA-N	550.471	6.095	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NNC(=S)Nc1ccc(Cl)cc1	1770909	RCIUOQUBTXNJDM-UHFFFAOYSA-N	532.141	5.747	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccccc1Br	1814535	XFXRMPSCYDYXNC-VULFUBBASA-N	532.895	6.109	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1	3143044	LXZCYDPHOKLFFB-FMFFXOCNSA-N	576.118	6.388	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1	3143486	ZWYVWLVGUAHFEG-WMGAYZPOSA-N	503.046	5.625	50	40	KKGB	
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1	3991854	GQNLNWZYYNVBCB-KNTRCKAVSA-N	528.546	5.510	50	40	KKGB	
C[N+]1=C([C@H](I)[C@@H](I)c2ccc(N)cc2)C(C)(C)c2ccccc21	4522480	UKMNWLCXOUGZHO-DLBZAZTESA-N	531.199	5.255	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	12250461	LDWYCKBRZZAHIJ-HHHXNRCGSA-N	512.635	5.911	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccc2ccccc2c1	13882001	YALGRPIFNVEBAO-NJZRLIGZSA-N	506.635	5.665	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	14152128	OGAVUDJFPBEFJY-CPNJWEJPSA-N	518.436	6.386	50	40	KKGB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1F	15230901	MQMJFRCZAQZPTN-ONUIUJJFSA-N	515.610	6.504	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(OC(F)F)cc1	97980793	XUTAKYQSZLSPTF-WGARJPEWSA-N	538.370	5.005	50	40	KKGB	
O=C(Cc1ccccc1)Nc1cccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)c1	100052455	YODADSLXDHYQDP-DXJNIWACSA-N	542.433	5.973	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2sccc2C)cc1)S(=O)(=O)c1ccccc1	100109789	DXDBYNGEPPKXPU-STBIYBPSSA-N	538.094	6.178	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccc(Cl)cc2C)cc1	100122473	LQAGDMOIRNPODX-VTNSRFBWSA-N	567.086	5.849	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1cc(Cl)cc(Cl)c1	100130907	QKMUQXFWDNHMHV-KBKYJPHKSA-N	525.299	6.547	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292924	YRSAQTBJLZSBHE-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1)c1ccc2ccccc2c1	101459418	YXQXDSRMYRLXAT-LUKWVAJMSA-N	599.275	5.306	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1	101562773	GVZYQNGBTFLLHK-SANMLTNESA-N	588.527	6.526	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1	103778472	SJSOCJMADZAXDT-KEIPNQJHSA-N	619.143	5.050	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1C	107806915	STLVYEXFQFLBCZ-MZJWZYIUSA-N	530.260	6.100	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1I	150477874	LLVOHDTVRABNKK-VZUCSPMQSA-N	668.023	5.511	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	162479057	HECJDWZHQYEEIA-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1	216062624	BHXALJDRGXPHHM-FDAWAROLSA-N	547.449	6.743	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl	226384596	LEPONHGAQRNSAC-LHJCKOQZSA-N	581.132	5.270	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539386	GXOPLHIJFAVOPC-DBSPGSINSA-N	639.546	7.932	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br	408540892	WUQQBSBBKXFFGG-MYYYXRDXSA-N	555.267	6.623	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(C(=O)OCC)c1C	408546003	BWABGOPXUIBRQQ-KGENOOAVSA-N	562.600	5.616	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)c(C(=O)OCC)c1C	408546701	NDPSENHDIVYUFH-PCLIKHOPSA-N	597.689	6.870	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550720	GVTDJUANDBUWAL-NVJOKUIPSA-N	612.251	5.696	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1cccc2ccccc12	408568501	JXBVSGQIJOHDSF-VTNSRFBWSA-N	670.594	7.040	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408570827	ZABRSHUYQULVGG-FJEPWZHXSA-N	577.555	6.979	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Br)cc1	408599238	QMRXDPVUTCENNC-STBIYBPSSA-N	509.444	6.488	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408644740	RPIFZMKQLDSKIT-TYZHSBRISA-N	679.620	6.153	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)ccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408646106	VNRQMXSVSYZWJB-ATUYUNQRSA-N	638.740	5.033	50	40	KKGB	
O=C(NNC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccc(Cl)cc1	408647168	BHMGSLFILVWADS-AHBQDSOZSA-N	644.942	5.306	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)ccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408674467	ZPBAJNZIQWEUBF-HOTKZRPMSA-N	654.355	5.533	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1ccc(N2CCCC2)cc1	408675780	AUKMPBFBKMRUJR-WKULSOCRSA-N	575.276	6.294	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccccc1	408711958	SJRUGIQBGXPWII-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(Br)cc1	408746487	DQHINPGPJZWDPR-SXGWCWSVSA-N	656.087	7.080	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)ccc1I	408746925	HVIHUHQTKPCLQF-KBKYJPHKSA-N	600.196	5.858	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408761613	HEJTVYMVHIFDDQ-UNOMPAQXSA-N	588.423	5.230	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccccc1	408766550	VMFGGWGHYDGSCI-UNOMPAQXSA-N	603.254	6.577	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(F)cc1	408771322	FMUIFDLOROJDKR-NDENLUEZSA-N	509.375	6.420	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(F)cc2)cc1	408786808	NZBGZTIBZIVMIR-BIZUNTBRSA-N	525.605	5.786	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(Br)cc1	408787911	HLWNBLNVLWTQMQ-BUVRLJJBSA-N	648.351	7.924	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1	408790774	YMESYDRGKOHTQS-OEAKJJBVSA-N	545.422	7.448	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408791781	CJIHJZCBESPCNF-QGMBQPNBSA-N	582.208	6.116	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I	408794882	KKLOFLHDGGCUFQ-MDWZMJQESA-N	588.570	5.107	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408797616	SHIOCPWSPIPNFD-KEBDBYFISA-N	583.382	5.950	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccccc1Cl	408799174	YGJKZWZDAJSKHM-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408800880	RQOVLJOBJQTKRF-FYJGNVAPSA-N	542.389	6.944	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(=O)Nc1ccccc1Cl	408808542	JGZWDAGPCCNUBC-LDADJPATSA-N	510.377	5.874	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(I)cc1	408816272	LBBZTKPYNVYFBL-MTJSOVHGSA-N	602.856	6.154	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1	408833176	ZOSQONKRJMFCIY-QCFMCPCVSA-N	577.706	6.327	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408833465	KKKDOMZVJBCETF-WSDLNYQXSA-N	717.241	9.231	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1cccc(C)c1	408834093	UIXDAAQUYZEWQC-MFKUBSTISA-N	617.927	8.123	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OC	408835623	OPCWCBIJPHTXDH-XDHOZWIPSA-N	633.280	6.586	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408844928	PSSUEDFOHGEEIL-PONZDJLKSA-N	688.353	8.255	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)cc2)CC1	408869642	QEKVALALSLFRGA-CHSHITCJSA-N	712.472	7.438	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Cl)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408870692	WKHNDKLICRENTC-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1OCc1ccccc1Cl	408871930	ZSIMTJGRQWXPAP-BRJLIKDPSA-N	538.769	5.588	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccccc1	408873244	PLMFBKLJDHOIGL-FMFFXOCNSA-N	636.568	5.945	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	408881342	MTIXTAUVPLAZJX-RQZCQDPDSA-N	591.245	7.187	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1	408881562	MZOCVMAODWWZAY-VYYCAZPPSA-N	548.808	5.995	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408888419	ZRZCIFGGBKSSSM-OQLLNIDSSA-N	597.334	5.700	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OC(=O)c1ccc(OC)cc1	408888639	YFBCSDKMCJHECX-XICOUIIWSA-N	574.718	6.697	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408891382	PSNOPEGRDRAZAR-UXHLAJHPSA-N	562.420	5.630	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(C(C)(C)C)c1O	408891387	PVMBFXGBUKSYLX-FABQOPTDSA-N	555.546	7.956	50	40	KKGB	
O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1	408904739	NUTXATIBKXHCBL-NVJOKUIPSA-N	507.333	6.415	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1ccc(F)cc1	408905235	VPASLIOWWNTHBH-QDTIIGTASA-N	579.264	6.792	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(OC)c1	408949597	FTCHGWKOBDXCDV-IQBIKIAUSA-N	678.573	6.034	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1	408956242	ZFDNHIUKPOKKSG-LRIZEKIPSA-N	570.092	8.602	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(C)C	408971523	HPIUOFLSLJCQDM-UMNCYEFTSA-N	586.516	5.682	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1ccc(F)cc1	408978496	IUFDDYUTJLDPRT-NIVXUIPCSA-N	565.642	5.364	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(I)c2)cc1Cl	408981634	CCQXWMBJDVWRBA-ZDLGFXPLSA-N	546.767	6.517	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl	408988748	RJKWBAZYSBUBPI-GRSHGNNSSA-N	515.824	7.479	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007881	REABKJFSOBBXRB-KMUKQRDJSA-N	572.105	6.598	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	409010428	DWUYNOGCEMBCPV-AMVVHIIESA-N	690.288	6.788	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1	409010569	CDJSQDDPHHZZHW-DSSCVVGDSA-N	618.315	5.303	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1Br	409024811	HPFPKPDTMIIDOV-ZTCXCAHESA-N	609.546	5.954	50	40	KKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)c2)cc1	409037065	MWEIEWRNOUIYFV-BIZUNTBRSA-N	518.642	7.205	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1Cl	409060439	ZYNWNADQUVCTPH-LUOAPIJWSA-N	573.645	6.903	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(Cl)cc1	409128377	DQZYGXBCWFCJCM-AREMUKBSSA-N	570.517	6.354	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C2=C1CC(C)(C)CC2=O	409143933	ONVPAZBDVZVEJM-RUZDIDTESA-N	556.490	5.964	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409217711	AEUWKBILDSNVMO-UHFFFAOYSA-N	644.831	7.357	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409222881	FHRXXCLYQCXXBT-UHFFFAOYSA-N	640.907	7.290	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1	409224230	KIZZVJFURAAGRU-DEDYPNTBSA-N	564.436	5.728	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c2)cc1OCC	409227222	YDKWURFSHFODPU-UHFFFAOYSA-N	516.381	5.118	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409250152	LKFUZMICKZKTCQ-MHWRWJLKSA-N	534.321	6.575	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	409255262	ZOWBSUPHCMNWAY-WWTGGXICSA-N	526.818	5.185	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)c1C	409258474	VDSPLUGVVGGEQH-NVJOKUIPSA-N	638.154	6.372	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1	409265047	SBRGEDKEZZDXJN-BKUYFWCQSA-N	517.969	5.307	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409267277	UJHWOTHEBPMBOA-XKZIYDEJSA-N	609.464	6.178	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1OCC	409312068	JSIXDSZBEDHSGK-RHANQZHGSA-N	559.040	5.152	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409313850	PQOJHKAWJVYJCC-OHUYPAJKSA-N	681.483	6.529	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	409319113	AHWHLHXVNHBHLG-YKQZZPSBSA-N	506.986	5.492	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1OC	409320992	GEBCYCIOQSMBEM-NTFVMDSBSA-N	540.414	5.028	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OCC	409321018	RIOHCSRIHKZUDL-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409323346	NKLSEERHFZUDNL-NVJOKUIPSA-N	523.851	5.840	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1	409373068	SQTRQOFYANYBPA-LGJNPRDNSA-N	500.780	5.404	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409379987	FDPRHOPPUMAFDM-PPDIBHTLSA-N	534.769	5.032	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1cccc2ccccc12	409384919	GJKPYSJFIQNNNB-MUFRIFMGSA-N	511.559	6.314	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409388247	SZPCSLXHGCYLLY-BKUYFWCQSA-N	578.463	6.036	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)[nH]c12	409395590	PLSATKIZALWVBH-UHFFFAOYSA-N	503.558	6.135	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409398597	USTRRIAPGKPAKU-UHFFFAOYSA-N	616.899	7.633	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409399227	YMUSWUJWFHEBLD-UHFFFAOYSA-N	503.558	6.217	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OC(C)C	409400389	CRBOGUFVLWOXOC-CNCDYAKUSA-N	659.375	7.351	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)OC	409406004	VREWXFYLEYLGPP-UHIZKJEFSA-N	658.933	6.396	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)O	409406655	XLCPUYKGQHQXLD-UHFFFAOYSA-N	551.983	5.155	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)o2)cc1	409410689	ZUVYDDYIKIBLCZ-OHUYPAJKSA-N	541.051	7.091	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O	584566815	OYSKUZDIHNKWLV-BSOVRRNYSA-N	663.406	6.422	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	1529548637	KMJPQXKQPVFHCX-NAYCSMFGSA-N	751.443	6.128	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(F)cc1	1529549409	YEPNWMHEGHDGEP-YLDRGEGNSA-N	660.768	5.417	50	40	KKGB	
COc1c(C(C)(C)C)cc([C@@H](N[S@](=O)C(C)(C)C)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)cc1C(C)(C)C	1857794971	BCSWMDYGGCPTPC-UGQLXJPCSA-N	746.010	10.621	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCc1ccc(C)cc1	1783956	QJGHIUZOOYQSLB-MHDJOFBISA-N	552.656	5.480	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)Nc2ccccc2)c1C	2391437	GXXMFOJXWFMVQA-JXAWBTAJSA-N	532.622	6.725	50	40	KKGB	
C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@@H](C)C(=O)N/N=C/c1cc(Cl)ccc1O	2752176	CVPIASNAPAFOKN-HRXXRIAWSA-N	521.046	5.219	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1ccc(Br)cc1	9693418	GGOZJCJJCDYWKY-QGZVFWFLSA-N	505.235	5.431	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	13922460	WRXMNKLTVCOHTG-XKJRVUDJSA-N	510.299	5.680	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	20207077	TYSTZKGFVZMZHC-OGLMXYFKSA-N	514.047	5.091	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1	58914770	VMZKYWQSVJOJAG-FDVSRXAVSA-N	508.361	5.921	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	59647073	FNJAZABJTLSDDT-VHENUOIUSA-N	567.086	5.612	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(OCC)cc3)=C(C)N2)cc1	96933948	RRWFOWOZJIKXRF-SSEXGKCCSA-N	570.715	6.727	50	40	KKGB	
O=C(CCc1cc(Br)c(O)c(Br)c1)N/N=C/c1cc(Cl)cc(Cl)c1O	97844342	RWZNGYDRYPZPDR-QPSGOUHRSA-N	510.997	5.013	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	97959903	LZDNGLWAOAGCAJ-NDEPHWFRSA-N	614.500	5.886	50	40	KKGB	
COc1cccc(/C=N\NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)c1OC	97966505	GWKKQTDGWRERCI-FZKWRIDDSA-N	552.030	6.769	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl	100118928	QCNXEHXCOYZWIL-WEHZEOHNSA-N	577.537	6.939	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	100128456	CSNPAGXJKFIFQX-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(C)cc(C)c3)o2)Cc2ccc(Cl)cc2Cl)cc1	100139466	SWHYXTAGSDHSAZ-BJUCDSOZSA-N	627.550	5.992	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100239612	KBPVIDOJFHGJRZ-TWKHWXDSSA-N	542.101	5.772	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2nc3ccccc3s2)N1	100565445	ZUZHPXTXUOYZBA-SANMLTNESA-N	537.670	6.003	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nc4sc5c(c4c(=O)n3-c3ccc(C)cc3)CCCC5)ccc21	100973965	OUJSXKUMUSGEOG-XZYGTATASA-N	605.789	7.005	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNC(=O)c1ccc(Br)cc1	101007344	CNUAEKSDBXWIMT-RGEXLXHISA-N	566.930	5.325	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccc(C)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	101695262	KLMLFMHXCRCLHC-HHHXNRCGSA-N	541.629	5.716	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)CCCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	102529520	SFGVSKXRNGQQKD-SVBUTHHQSA-N	605.165	5.034	50	40	KKGB	
COc1ccc(/C=C2/C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)/C(C#N)=C(/C)N)cc1	103081795	WILCZCMGHLBOOA-TWOZFZHNSA-N	523.633	5.875	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1F	103889862	OXYFOMQLQSATJS-SXGWCWSVSA-N	550.211	7.028	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4cc5ccccc5cc4O)cc3[C@@H]3C=CC[C@@H]32)cc1	104700042	SBEBSFWIVFJCSK-PULAEZKMSA-N	531.612	6.313	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1	105586531	OFOMAVCLNWZOHO-BIZUNTBRSA-N	531.077	7.374	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341929	NALPKJXIJYPLIO-OAQYLSRUSA-N	740.511	12.961	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342152	VNKUHJSRWROOHW-REOHCLBHSA-N	792.030	9.658	50	40	KKGB	
C[n+]1c(/C=C\c2ccc(/C=N\NC(=O)c3ccc(C(=O)N/N=C\c4ccc(/C=C/c5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21	150423033	MBLBEBVYTSCMFS-XQTUVNODSA-P	684.804	5.710	50	40	KKGB	
CCCCCCCCCCCCCCCCCC/N=C\C(C)(C)SSC(C)(C)/C=N\CCCCCCCCCCCCCCCCCC	150616647	LUZHNJMQSFYZFO-CYSJJLBPSA-N	709.336	16.590	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	164695304	ROQTXQVTKRBSSC-NDENLUEZSA-N	650.198	7.353	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	408537386	DIQINNIHZSBAMW-UQQQWYQISA-N	617.927	8.205	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Br	408538508	OADNOIZJXYJEIZ-RGEXLXHISA-N	564.318	7.505	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2)ccc1OCc1ccccc1	408539337	VPEWCZNOOBZAMQ-FZSDHLTPSA-N	654.792	8.874	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2OCC)ccc1OCc1ccccc1	408540057	MIYKSSDWQWFEGS-FZKWRIDDSA-N	648.510	7.077	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(C(=O)O)cc1	408543754	SUSCKVDBBDFABV-NVMNQCDNSA-N	547.630	7.206	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(OC)cc3)cc2)c(C#N)c1C	408546644	KXVCDFUALDIVQN-FYJGNVAPSA-N	500.576	5.411	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(I)cc1	408549142	PTRRHVQRAKLNPV-FMCGGJTJSA-N	551.811	7.750	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408549982	AGMQGHYPBIKZGT-PXNMLYILSA-N	634.270	6.626	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1OCc1c(F)cccc1Cl	408602415	DLOXKRNMLFFPNA-SFHVURJKSA-N	511.981	5.180	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1	408724261	JEECXQGUAVNRFY-HPNXWYHWSA-N	601.504	7.798	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408726573	TVBLTYAVHYXNAO-JMIUGGIZSA-N	574.302	7.896	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408746891	HGFWXAMMSWGGBF-KYHGBAKBSA-N	567.842	6.207	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)ccc1I	408748048	XPUJBRPZNPLXNX-UXHLAJHPSA-N	563.439	5.393	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cccc(Br)c1	408748950	JKQPLTFPKPFNFO-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408769166	PIWNOIIINSWNLU-ZTKZIYFRSA-N	512.075	5.682	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408770715	BDLLAFBFJVXVOL-JAIQZWGSSA-N	511.405	6.914	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1Br	408788899	MXUZIDDDRPEMKW-MHWRWJLKSA-N	534.204	5.499	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I	408789457	JJWQEVBNTJITNK-IZZDOVSWSA-N	517.548	5.261	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	408790326	VPURFBXTEPHSQF-DEDYPNTBSA-N	540.255	6.899	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408791263	XXCYIYGUGYNOEG-MOSHPQCFSA-N	612.424	5.789	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794858	KDPYYTAIFCEICH-OEAKJJBVSA-N	683.315	7.896	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408795060	JYYDAPKRHMSWCD-LICLKQGHSA-N	604.198	6.087	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCC(=O)O)c(I)c1	408795739	MXFDOHLRMRXVHO-UUILKARUSA-N	575.584	5.025	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccccc1F	408814029	POYWMCZQLHJPQW-YVLHZVERSA-N	543.292	5.463	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408817721	NUZXFCWXVRHQNY-JAIQZWGSSA-N	599.381	5.019	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OC	408823177	DBCALCCIVZOCQN-XDHOZWIPSA-N	588.829	6.477	50	40	KKGB	
CC(C)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408823906	GVICHWQZSLLJDR-CAQPMQTCSA-N	593.105	5.536	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408825031	IVMYOTQGATWWIT-RCCKNPSSSA-N	517.412	7.670	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC	408825136	RNLUFIZMYUKFAI-KGENOOAVSA-N	567.867	7.191	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408830417	MTSJKUWZBZUCSP-LALXJTNGSA-N	753.502	8.503	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Br	408831996	QQBUQIFLKGFSSZ-XSFVSMFZSA-N	523.814	6.792	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(OC)cc1Cl	408836138	ZAZRJZGCTHJFOH-RQZCQDPDSA-N	528.348	6.043	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408838821	IWOOGMSZGOUECH-XJECJHNESA-N	671.573	7.674	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)o1	408842365	JLWQPJYAUQNWHE-FJEPWZHXSA-N	558.019	7.448	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Cl)c(Cl)c5)c(Br)c4)cc3)cs2)cc1	408848039	WQQQVMQTNDQQIO-QNVXDBMFSA-N	666.428	9.274	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)O	408849409	YHYYUTMYWBNODB-VVEOGCPPSA-N	629.920	6.596	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408861809	DIQZGNHBVVQWOE-FABQOPTDSA-N	703.080	7.066	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3cccc(NC(=O)c4ccccc4)c3)cc2)CC1	408864498	WMBIJXMKBQYQSC-YRRMYEEHSA-N	561.686	5.424	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1Cc1ccccc1F	408867909	MPHFZZCMJTYGSH-FYJGNVAPSA-N	507.403	6.686	50	40	KKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1C	408873916	XDSKDXKQNNBOBW-VPUKRXIYSA-N	578.909	6.567	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1F	408883855	WYQJIKPPHXWZPB-RQZCQDPDSA-N	504.867	6.631	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1C	408904086	DNCPDAWCLGPGAK-MSXFZWOLSA-N	500.353	5.237	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1	408909289	GFEAVSKRPAHRBR-HNSNBQBZSA-N	577.450	5.952	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OCc1ccccc1C	408924880	PFPMKVANLVVQML-ZSNJKBEMSA-N	579.181	8.010	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	408936931	LIYWWJPPMKERQB-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(OC)c1	408958386	YJUFNQSUKJRGQM-JEYOMWNISA-N	675.953	5.955	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(Br)cc1	408961708	DLWFSBLHKCXFCR-KKMKTNMSSA-N	603.223	6.218	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408963207	XXHIKSHTVOXACU-IPBVOBEMSA-N	593.217	6.762	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1O[C@@H](C)c1ccccc1	408970866	LKSMIIBEKHOVSQ-VFKGCLKRSA-N	529.622	5.022	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408976208	PRZIWEXAKSISQX-CAAZJDAESA-N	732.476	7.633	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)c2ccccc2)cc1	408979603	NEQGGIRUCMWEJO-UDRUIPQISA-N	564.711	6.116	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1cccc(C)c1	408981686	WCSHAZGDCKXMME-NSWGPVHUSA-N	535.644	5.984	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1	408994302	ZEGJCCMWLMMXEZ-DEDYPNTBSA-N	660.564	8.769	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c2ccccc2)cc1	408998863	OWLPFMLYWGXHDP-SXFMDCDQSA-N	612.151	6.941	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409011446	GOVHGHPLPSYXKE-YSURURNPSA-N	589.611	5.791	50	40	KKGB	
O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)cc2Br)c1	409016159	SOJYMHSTNLHAGY-IPBVOBEMSA-N	698.105	6.604	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccc(F)cc2)c(I)c1	409021642	RKFPZBZMXBQQNU-NUJZUDFISA-N	555.347	5.087	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl	409021793	YSLOSTWKBOFMLR-FTCYSYDXSA-N	643.692	7.739	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	409028592	PTVAFDXYEIAGPY-XAYXJRQQSA-N	550.464	5.136	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)/C=C/c3ccccc3)cc2)c1	409036207	ANMRGWDUNZDEKT-KMWGUJGCSA-N	545.595	5.341	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccccc1	409036968	RZNUSUZCGSMMMH-DPNNOFEESA-N	613.537	7.668	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4c(OCc5ccccc5F)ccc5ccccc45)cc3)cs2)cc1	409037927	UUHYEALKELFPIE-HASSKWOGSA-N	586.692	8.497	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(F)cc1	409052776	MDUXDPYQEJKZFQ-XODNFHPESA-N	519.798	6.292	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409056979	OAOXBPCGFWDERY-WOJGMQOQSA-N	510.377	5.874	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409067741	PPTJZBZGJPHLLZ-LDADJPATSA-N	565.816	6.175	50	40	KKGB	
CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409080590	ISLJQDGMOOJKNW-ZDLGFXPLSA-N	609.201	6.098	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccccc1	409093735	ATHQWWOYCKPZNA-DEOSSOPVSA-N	521.367	5.374	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(I)c1OCc1ccc(Br)cc1	409150039	YRPVHXPTUNQXLT-RWPZCVJISA-N	623.285	5.733	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Br)cc1	409159853	AMPQRIVVBAHCKQ-LUOAPIJWSA-N	634.095	6.712	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409199218	AALNRBDSTKFEPH-IPPBACCNSA-N	590.927	6.070	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409214721	YDCJVGSXCJCIBM-XODNFHPESA-N	533.433	5.912	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)c(Br)c1O	409216691	OAERWGXQSXMGMJ-ODCIPOBUSA-N	522.646	5.212	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)c2)ccc1OC(C)=O	409218851	LKXBKJBWDSCDHC-UHFFFAOYSA-N	723.374	6.689	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)c1	409219665	OXMVIOIMVYEHDU-GDYGQMTJSA-N	643.450	6.001	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)n1	409238219	MDADESCEJVBLDM-OPEKNORGSA-N	564.303	5.440	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)c1ccccc1	409242839	PHOMMMBQYGJGJY-IZQLPPHKSA-N	522.374	5.390	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2)cc1C	409252918	VHOJGWBBIGBGHR-MWBNBJEGSA-N	610.139	7.605	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409268640	WYJWLIZMPBKLAC-YBFXNURJSA-N	568.855	6.291	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1	409268643	WZYIJSSJARYXPU-NDENLUEZSA-N	611.436	5.488	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409270391	FGCXUZNJNJDNCN-QDTIIGTASA-N	520.800	5.827	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1OCC	409310603	BGIQYNUVHAGDBU-MNDYBZJGSA-N	608.302	6.881	50	40	KKGB	
CCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Br	409314160	RQUYUQFGBNVUEP-QRQIAZFYSA-N	511.416	5.980	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)ccc1OC	409314775	HHNYHZUREAFROE-FDVSRXAVSA-N	608.860	6.094	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1OC	409317244	SYGLSYWUKSQELD-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409323815	PTEFLBQNUXIFKE-BVMLUPFRSA-N	576.864	6.392	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	409337318	XTZNMACCRMPNBI-BJUCDSOZSA-N	614.323	7.686	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1	409364374	XOSLHTLQGJEFIY-VFLNYLIXSA-N	581.813	5.624	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccccc1O	409368170	OECFMIJFOIDXQL-WYMPLXKRSA-N	504.178	5.260	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	409373063	QJMPTILHKQEJIF-ZRGSRPPYSA-N	584.197	5.778	50	40	KKGB	
CCOc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)c1O	409373126	QBDUKDRHPKGNTK-QDTIIGTASA-N	615.333	5.201	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC	409374952	CBYACSCIGWQWFF-GZTJUZNOSA-N	509.921	5.059	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(I)c1OCc1cccc2ccccc12	409381916	OYOMRRUMKITNIP-OKCVXOCRSA-N	565.411	5.594	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386729	RRGOWCYFSWMFKN-LUOAPIJWSA-N	607.255	6.817	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409396682	ABUCJCUKIMSBHP-UHFFFAOYSA-N	646.881	6.971	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397861	OUBKMDJHIPXUTO-UHFFFAOYSA-N	557.528	6.845	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409398776	VRWABJHVNPYDSL-UHFFFAOYSA-N	572.448	7.524	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc5ccccc45)c(Br)c3)o2)cc1	409399963	ANOWHYMPWMVFFH-GLJXUZQSSA-N	648.557	8.525	50	40	KKGB	
CC[C@@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1[N+](=O)[O-]	409401913	IQKIINOXVZSMQS-IZKGUHRSSA-N	609.477	6.878	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)NNC(=S)Nc1ccc(Cl)cc1	1752079	AVOJYXFVQQNKNR-UHFFFAOYSA-N	516.526	5.247	50	40	KKGB	
COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OC)c1OC	1836541	ZCWXEQJVLKHSCK-HMMYKYKNSA-N	560.075	7.314	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)NC(C)=C1C(=O)Nc1ccccc1	1899601	UTIUOYDYCXDNJM-PMERELPUSA-N	552.700	6.409	50	40	KKGB	
Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1	2676294	VDCKEFDDKUXBGF-LGJNPRDNSA-N	501.764	5.159	50	40	KKGB	
O=C(CNc1cc(Br)c(Br)cc1Br)N/N=C/c1cccc(Br)c1	3148332	NATSLPXPTJVTGI-QPSGOUHRSA-N	568.889	5.299	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196227	QDUDWPHUMGZABW-IBBHUPRXSA-N	572.286	7.190	50	40	KKGB	
Cc1c(O)c([N+](=O)[O-])cc(Cc2cc([N+](=O)[O-])c(O)c(C)c2OC(=O)c2ccccc2)c1OC(=O)c1ccccc1	4264721	ZFKCZNOPHSCZDT-UHFFFAOYSA-N	558.499	5.560	50	40	KKGB	biogenic
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(C(C)C)cc3)cc2)sc2c1CC[C@@H](C)C2	6167120	AOEKCSGVYBISNM-MNONDAJLSA-N	575.731	6.343	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2Cl)cc(C(C)(C)C)c1O	8386103	XWFDYMRTSZTEIP-ZHYDBUOQSA-N	538.113	6.623	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	8427137	UHZMMNIREXFIHF-NDZAJKAJSA-N	534.037	5.265	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1	9291847	DVHFPFQATOWSPO-SJUMRLIPSA-N	502.039	6.330	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccccc1Cl	20348475	BQZSRXNMLPPBEJ-XMMPIXPASA-N	510.015	5.146	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Br)[C@H](Br)c2ccc([C@H](Br)[C@H](Br)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	95100216	KYMFIPAQSHDSRX-ZDNVTZCJSA-N	781.990	8.464	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H]1COC[C@H]1CI	95682068	QBAODHXWEYFWJU-NTSWFWBYSA-N	644.103	7.084	50	40	KKGB	in-vitro
COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	97980005	JHPNEERZFLIOCL-FYJGNVAPSA-N	535.563	5.284	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C)=C(C#N)[C@@H]2c2ccccc2)cc1	98048489	XTAFPNKWCWDMLS-LJAQVGFWSA-N	566.683	5.878	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1	98048701	YRPIWPURGXFYAF-MHZLTWQESA-N	545.064	6.055	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1C	100123797	YYVSHSQLPZZKIU-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1Cl	100379130	DMDUELSAVXIUQQ-KKMKTNMSSA-N	545.275	6.030	50	40	KKGB	
CCOc1ccc([C@H]2[C@@H](C(=C(C#N)C#N)C3CC3)[C@@H]3c4ccccc4C=CN3[C@@H]2C(=O)c2ccccc2)c(OCC)c1	100838087	XCYIDOKEMFZAQO-SNSGHMKVSA-N	555.678	7.230	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	102042839	SOGKXUQGWAKFCZ-GWMLULTNSA-N	546.580	6.245	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)N(c3ccccc3)c3ccccc3)N=C3CC(C)(C)CC(O)=C32)cc1	102613370	BIGNQXBYPVHPCB-PMERELPUSA-N	549.696	7.699	50	40	KKGB	
CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528014	HAOJSOMNGULWCF-SSDOTTSWSA-N	594.140	8.135	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	103796766	PRLKMAVRNUMRMB-ZCTHSVRISA-N	591.449	6.395	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)c1	103902722	DLOPNCFWTUHRQA-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
O=C(c1ccccc1)[C@](O)(C[C@H](c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104133473	WVPFXPQQFREMBI-PDRJUJFWSA-N	578.692	7.615	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1	105200331	HGRNHZMTMYYDLI-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CC[C@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1	118917114	OJNMMFFBVGCZFD-LUSHKDCQSA-N	524.746	5.552	50	40	KKGB	
CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341630	WGZFOMQELALGHS-CYBMUJFWSA-N	978.344	14.287	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	150385657	SXWLWPWPRRKZSP-OCSSWDANSA-N	644.389	5.965	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	150385727	IWBVEDDWLAAZIR-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2cc(C)cc(C)c2)cc1OC	150474403	HVECWJUKUZHZAD-DPNNOFEESA-N	653.599	5.836	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795355	CDKSTDXUTRBKJP-GHMZBOCLSA-N	744.127	9.770	50	40	KKGB	
FC1(F)Oc2ccc(P(c3ccccc3)c3ccccc3)c(-c3c(P(c4ccccc4)c4ccccc4)ccc4c3OC(F)(F)O4)c2O1	195913680	HGMLTMOEYCQDDR-UHFFFAOYSA-N	682.546	7.513	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408544894	VWTVSULDQMXBME-JAIQZWGSSA-N	512.787	6.843	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408641520	CNVJUYXPRKBONH-QHAWAJNXSA-N	519.812	5.182	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)ccc1N1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O	408647458	JGTCNTHULGFEIE-YADARESESA-N	558.845	6.001	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408649388	XYXFNMACJKUJQZ-FATVKVNYSA-N	727.362	5.285	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1OCc1cccc2ccccc12	408675884	CBERULXFPOBXRH-QCFMCPCVSA-N	533.672	6.910	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(I)cc1	408678438	ZBYPUMWOEJNCNH-OCSSWDANSA-N	695.339	6.238	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)ccc(Br)c1Cl	408690656	WFTBXNLZNZFJOQ-LMSBXDPUSA-N	602.696	5.321	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408727815	XRNIPQMBBSDWBF-DHRITJCHSA-N	641.203	5.076	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c1	408744529	LWNSNMUXQQIXIG-IUXPMGMMSA-N	550.667	7.842	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1	408744920	OANPGSNZMDSOGF-XKZIYDEJSA-N	623.288	7.640	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(I)cc1	408745219	QIVHTQCHXJZNJM-ODLFYWEKSA-N	603.254	6.495	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c2ccccc2n1Cc1ccc(Br)cc1	408746383	YTVZYRXTTFSZQA-RGEXLXHISA-N	549.266	7.069	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc(OCC)c1OCc1ccc(Br)cc1	408746598	SYJXNCZOQGAHIM-JLPGSUDCSA-N	561.476	7.100	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl	408760230	UVQDPBPSWORSEH-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccccc1	408787799	GLZTXESMKDLVFY-XDHOZWIPSA-N	511.803	6.626	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccccc1Cl	408788392	CRHAIDBDYGFGMF-LZYBPNLTSA-N	685.643	6.582	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	408788703	FJADQGJGNVPALE-CXUHLZMHSA-N	591.643	6.898	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCC(=O)O	408791588	ZDEUBUMJONAPPO-LFYBBSHMSA-N	561.159	5.006	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc2ccccc2c1	408795085	KBIHNJCGSDKKIS-FSJBWODESA-N	561.863	7.697	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c1C	408799533	ZTEQGIJCNPLSIG-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408807222	GOEJVSXEEPVHPF-BUVRLJJBSA-N	599.481	7.221	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2c(C)ccc3ccccc23)cc1Cl	408807244	GOWKLHUNLHMASU-LPYMAVHISA-N	501.413	7.888	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1c(C)ccc2ccccc12	408813378	NVHPROXHTAJLIE-MFKUBSTISA-N	616.499	7.893	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1ccccc1F	408818293	ZWXCRCBMDBUOEE-APSNUPSMSA-N	574.200	6.204	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1c(C)ccc2ccccc12	408821471	HWLDWBRJXDCDHB-TWKHWXDSSA-N	568.673	8.169	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCc1ccc(Cl)cc1	408829574	PODCPAMNJZMZHD-KQWNVCNZSA-N	580.493	6.201	50	40	KKGB	
C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408830087	ROECRQDSDCIQIG-GYDLQOCGSA-N	583.113	6.521	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839172	OGEWRQCMRPMAEZ-AABVJFSESA-N	652.401	8.966	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408840055	XHYNNGBUYHNROH-FABQOPTDSA-N	646.950	7.482	50	40	KKGB	
O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408840124	XSBRRUHJCJHZEL-KBKYJPHKSA-N	500.363	5.636	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408843493	LRKYRHZAVBWSJI-FJEPWZHXSA-N	543.004	6.929	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccs5)(c5ccccc54)[C@@H]3C2=O)cc1	408868452	QDYFNHHEVDCOOZ-PZEZKDFMSA-N	517.610	5.023	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1Cc1ccccc1F	408870592	WQBRKTZGARQBEU-LICLKQGHSA-N	546.767	6.229	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OC(=O)c1cccc2ccccc12	408879378	FXFDYWMSUQJUSX-JJIBRWJFSA-N	591.461	7.919	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408885006	WKNMLMCNWRUYIU-AABVJFSESA-N	756.300	7.452	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1ccc(Br)cc1	408886014	CSBIWLLUABDEDQ-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408888380	UZJOYMHKCFMFJO-FYJGNVAPSA-N	569.477	6.086	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1Br	408895487	NACHWAMKDYYISG-LDADJPATSA-N	542.227	6.345	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)cc2I)c1	408904675	MXPFQVPKTLQARI-ZMFRSBBQSA-N	578.248	6.405	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1	408939334	ILQPAPAJDKKKTG-LRIZEKIPSA-N	553.637	8.088	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408953292	PNYRQURIQFXAEM-HMAPJEAMSA-N	547.396	5.617	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(F)c1	408954603	RXBRLGPUCKXFAM-UUYOSTAYSA-N	562.439	6.313	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408970716	CMSAWAHDDUBUEW-XPZZZYAWSA-N	542.463	5.427	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1	408992281	RDWBVSHSXUNILH-LDADJPATSA-N	638.086	7.355	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccccc1C(F)(F)F	409010708	DDIPMMAMNOCKRX-FJEPWZHXSA-N	558.409	5.396	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1cccc(C)c1	409017993	OQRUFZUUFAYFRA-NUJZUDFISA-N	541.829	6.899	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	409027390	BWPHFAULOWXLQG-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	409033198	NQEIWAAWLXGGKR-VTNSRFBWSA-N	626.423	6.824	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409038288	OZSSEICMYUYFII-ZSNJKBEMSA-N	633.571	8.812	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)c(C)c1	409041630	AVEWVRIWZGBTBY-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl	409043891	BHKUEGRPSWAZSD-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	409054792	NWWLSIMLKRCLOD-XODNFHPESA-N	536.253	6.806	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c(C)c1	409070997	HVLBTDGARAUAPO-LDADJPATSA-N	501.391	5.924	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409073502	PUABJQBZRNMAOY-GZTJUZNOSA-N	608.841	5.575	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)Nc1ccccc1	409090278	LYHIUXGJWIEACU-ROTLSHHCSA-N	615.184	5.770	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409090908	NNIFTDDWPRZQAQ-KGENOOAVSA-N	572.530	5.755	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409091483	QUKJUUJMFWOCIZ-CPNJWEJPSA-N	571.939	7.732	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc2ccc(C)cc2nc1Cl)S(=O)(=O)c1ccc(Cl)cc1	409123403	GVIYRZOCTASJSZ-OKCVXOCRSA-N	571.486	5.594	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409132890	RWPJYFFTHGJFGJ-VWLOTQADSA-N	611.493	5.328	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(OC)c(OCc3ccccc3)cc2Br)C2=C1CC(C)(C)CC2=O	409137237	WAEOXICVUAMYJS-SANMLTNESA-N	566.496	5.419	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409185404	YNCAFJBQRGWJOO-XKJRVUDJSA-N	633.323	5.399	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409218871	HYUZXPRZKCNVQB-YBFXNURJSA-N	615.855	6.215	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)cc1	409223842	IVJQCWDODQJZMG-UHFFFAOYSA-N	636.886	6.355	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	409226595	VADSMDYDUVKYLB-VKRPGWMWSA-N	593.552	5.067	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	409228220	WBGZGELOYANNHF-QLTNSANVSA-N	584.308	6.974	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)NCCCc1ccccc1	409245176	ONSXLHSCYXXLAQ-QRVIBDJDSA-N	534.841	6.209	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1OCC	409316433	XPLXFGWGJHFKCS-DICXZTSXSA-N	540.916	5.676	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OCC	409322704	MUSVMYVKRULGTH-ZMGVVAQMSA-N	588.488	6.279	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409363817	NWCTWRYJMDDCGR-YVLHZVERSA-N	528.367	6.094	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1OCc1ccccc1	409370640	BNSHOYPJWCWNSE-FZPRHHONSA-N	661.405	6.676	50	40	KKGB	
CCc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1	409374257	ZEGPCPLTDPOYJV-MUXKCCDJSA-N	583.335	5.660	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)c1	409395328	MHOOUGIJGXQTCD-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccco1	409395428	NKMKVUXGMUAKEB-UHFFFAOYSA-N	710.593	8.896	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccccc1	409395696	QTHXETZPUXHOCN-UHFFFAOYSA-N	562.840	7.778	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409395826	SDVBZOBSJGKLCS-UHFFFAOYSA-N	645.897	7.759	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396868	CEMHOAHDOWPCKY-UHFFFAOYSA-N	571.992	6.628	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397010	DZEQOUHDMXPEAY-UHFFFAOYSA-N	656.135	7.513	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409397655	MJJKEDUFTWMZJE-UHFFFAOYSA-N	595.499	7.856	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccccc1C#N	1529548786	NVEABCSFOMWHFE-LVOLJPLZSA-N	741.462	5.547	50	40	KKGB	
CC[C@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	1531386424	NMFUDYRYLVPBPR-OFSKBFHASA-N	594.506	6.978	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccc(C)o1	1308549	MPCMNNQCFRNRIT-MHZLTWQESA-N	563.079	6.265	50	40	KKGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3ccccc3)cc12	2074558	AYHJJNZHKYWRNR-UXHLAJHPSA-N	502.603	6.012	50	40	KKGB	
Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)c1	2326365	ZYWGZBZDDRSFHH-RKZIHRPTSA-N	508.430	6.367	50	40	KKGB	
N#CC1=C(S)N(c2ccccc2)[C@@H](c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)NC1=O	6148150	BACXTHSTYOVRFN-PMERELPUSA-N	525.637	6.506	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc2)sc2c1CC[C@H](C)C2	6167167	IWANSWBNPMKQSC-VMXPUGAISA-N	602.540	6.526	50	40	KKGB	
COc1ccc(NC(=O)CC(=O)N/N=C(\C)c2cc3cc(/N=N/c4ccccc4Cl)ccc3oc2=O)cc1	8653493	JOMLHMWSUULDLS-ZCSXJJCJSA-N	531.956	5.739	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2cccc(Cl)c2)c2ccccc12	8812958	YIOPBANVXPFUHM-CCVNUDIWSA-N	510.819	6.186	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]12	11612131	KQIHYMLPAWUVKD-SLSZMCCGSA-N	503.605	7.054	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)cc1Cl	12251028	PTAUEYLKMDHCPY-XMMPIXPASA-N	502.039	6.447	50	40	KKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)c(C(C)(C)CC)c1	12563808	CVCMNUQLAVDTHK-UHFFFAOYSA-N	508.619	5.602	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1OCCOc1ccc([C@H](C)CC)cc1	16158184	RYPYSEFDPKBWRN-AXNZHVIBSA-N	528.700	5.459	50	40	KKGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1	16322161	BUUYRXOUAGJXFD-PXSPQHRYSA-N	518.708	5.231	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1	20198067	SDGNLFHDDZVNEK-KBVAKVRCSA-N	507.417	7.278	50	40	KKGB	
O=c1c2c3c(sc2[n+]2c(n1-c1ccccc1)SC[C@@H](Br)[C@H]2c1ccccc1)CCCC3	54362768	JPUSDFVRBWLVJH-DENIHFKCSA-N	510.502	5.677	50	40	KKGB	
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)/C(=N/NC(=O)c1cc(-c3cccs3)nc3ccc(Br)cc13)C2	97966351	OKWUBPVBFJOMQS-MLDAFKFHSA-N	562.511	5.526	50	40	KKGB	
Cc1nc2ccccn2c1[P@@](=Nc1c(Cl)cccc1Cl)(Oc1ccc(Br)cc1)c1ccccc1	97984559	QWALFJXEMXOAGJ-UMSFTDKQSA-N	571.242	8.190	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)c(OC(=O)c2ccc(Br)cc2)c1	98001649	VCUCOSMMXIFLRL-VTNSRFBWSA-N	652.295	6.423	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12	98008182	ZBGYAVLLNLINSV-UMSFTDKQSA-N	540.598	6.331	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1Cl	100119427	WHMIZRXRCNHUEG-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	100123915	YUGFQEGKWWMDQD-ATZGPIRCSA-N	589.039	6.112	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	100225394	WNRSIBUKJVYXGB-WKIKZPBSSA-N	518.404	5.477	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1	100336436	FOHDSUQBYGVXEQ-ODLFYWEKSA-N	558.803	6.386	50	40	KKGB	
N#C/C(C(=O)Nc1cccc2ccccc12)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1	100859502	RNMNZEQSKHODIH-TUJXDINHSA-N	544.463	7.212	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1Cl	101273337	HWXLTPHMTASQCP-DEOSSOPVSA-N	528.461	6.099	50	40	KKGB	
O=C(O)[C@H]1C[C@H]2[C@]3(Cl)C(Cl)=C(Cl)[C@H](Cl)[C@]2(C[C@@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl	150384420	VVRWPUJXBANEPU-HORUHHGQSA-N	641.114	6.671	50	40	KKGB	
O=[P@@]1(NC23CC4CC(CC(C4)C2)C3)OC(CCl)=N[C@@H]1c1ccc([C@@H]2N=C(CCl)O[P@@]2(=O)NC23CC4CC(CC(C4)C2)C3)cc1	150408910	KOGPCLWTOFOKSA-XLQXRXJZSA-N	679.566	8.522	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1O)c1cc2cc(Br)cc(Br)c2o1	150412689	GRABHLASBQTKOV-AERZKKPOSA-N	642.867	5.794	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795386	KOIUXUTVKCGPFE-STQMWFEESA-N	772.181	10.551	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C	253499361	FOKBFEZNNMIQGR-LBHQMCJVSA-N	505.227	9.491	50	40	KKGB	biogenic
CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl	408538141	JTRAFJPIWWEFTL-ZHZULCJRSA-N	503.426	7.065	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408538309	KSMVYPWXTVQIGG-TZRCHIKKSA-N	684.818	8.883	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)ccc1OCc1ccccc1	408540447	RYVHEEIUTSGTIY-FMCGGJTJSA-N	593.894	8.359	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)c(C(=O)OCC)c1C	408546353	HUMQDQGRQCXREI-OEAKJJBVSA-N	565.651	6.003	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3ccc(Br)cc3)o2)N2C(=N1)SC(C#N)=C2N	408606227	PGDMTLPZSUWSLR-FQEVSTJZSA-N	513.417	5.437	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408641361	KBFKMJOVSOIDNF-SYMSYNOKSA-N	686.011	6.462	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1	408668256	DAQAGWHZEGXSEZ-ODAXIHTASA-N	584.393	6.972	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)c(I)c1)c1ccc(N2CCCC2)cc1	408677767	USUWWRGPHDNIDW-LQKURTRISA-N	543.380	5.373	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1ccccc1C#N	408710914	WDDGYDWPLBRGEG-IPPBACCNSA-N	587.268	5.833	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(I)cc3)c3ccccc23)cc1	408711896	PMQCNDJCUIXYKK-STBIYBPSSA-N	551.428	5.694	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Oc4ccc([N+](=O)[O-])cc4)c3cc12	408720272	KPKZOYHRVROWLI-UHFFFAOYSA-N	662.614	8.372	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408724676	GSNAJCNTJFERGC-DXELLOQRSA-N	589.155	7.374	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)cc1	408725550	KDCKWGRUMOPACM-HMAPJEAMSA-N	582.438	6.522	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2F)cc1)S(=O)(=O)c1ccccc1	408727340	DZTWOBIEKZCZOW-FDAWAROLSA-N	536.028	5.947	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1	408727439	SGBJZZLYWSGFDT-KKMKTNMSSA-N	585.225	5.958	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)c1	408744403	FIUXTLATXXIVPR-ODLFYWEKSA-N	552.381	5.889	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2I)cc1)C(=O)Nc1cccc(I)c1	408763796	KGVJYZVNRIRMNM-SFQUDFHCSA-N	649.226	5.459	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccc(I)cc1	408782449	IPVYYMLCCZTXSQ-CVKSISIWSA-N	602.281	5.334	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1cccc2ccccc12	408788623	LQMPMXGXRCUFRO-MFKUBSTISA-N	555.472	7.743	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1cccc(C)c1	408817357	XPQDCYISHIMJLB-NDENLUEZSA-N	509.375	6.420	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408821860	KXKXKGGQBHBFBV-KOEQRZSOSA-N	613.928	9.504	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)c(OC)cc1Cl	408824107	PMEJHIZIONRQQR-DJKKODMXSA-N	618.855	6.404	50	40	KKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408833535	TWUXQUXAIPMUEW-XDHOZWIPSA-N	513.808	7.336	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cccc(C(F)(F)F)c2)cc1	408837834	OMPRJQBKYOMMET-QNVXDBMFSA-N	637.511	7.074	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)c2C)cc1	408838744	HSSWSIVSLJJDBE-DPNNOFEESA-N	563.683	6.820	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)cc3)cs2)cc1	408839564	UKCSQLQBOGGMAR-ATZGPIRCSA-N	642.535	7.876	50	40	KKGB	
COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1	408844077	OLCCIHUGQCXKNY-UHFFFAOYSA-N	514.390	5.544	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5ccccc5F)c(Cl)c4)cc3)cs2)cc1	408844380	NYUFFDYAUZZHOC-QNVXDBMFSA-N	605.522	8.651	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc2ccccc2c1	408854853	KBCHKVQRVWHVPB-MKUMZIATSA-N	619.765	9.076	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)c(Br)cc1OCc1ccc(Br)cc1	408857277	NXOPWWYGWDIVGK-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1	408857769	MNSCXDHZUGVSRQ-CPDSRJINSA-N	602.710	7.683	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)Nc1cccc(Cl)c1	408863341	RIFKWHOWPRHJQT-PLRCZUKZSA-N	599.112	5.896	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c(OC)c1	408872334	DGKGBJFKVOZMER-UFWORHAWSA-N	604.270	6.170	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Br)cc1	408873269	RXAJZFRUPOZFCS-KGENOOAVSA-N	568.265	6.525	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1cccc(C)c1	408873744	VILUEOSZNYUVLF-XAZZYMPDSA-N	601.512	6.484	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1ccccc1	408875125	GACQKYRPFVNWAA-HYARGMPZSA-N	505.412	6.535	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccccc1Cl	408883844	WXRNTTKQKYEWIY-CXUHLZMHSA-N	566.666	7.543	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc(C(C)(C)C)c1O	408890969	JFQFDOGCVITEBI-WCMJOSRZSA-N	515.481	7.637	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1I	408892780	CKOFMVVYBPADDH-ODCIPOBUSA-N	588.998	5.365	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cc(C)cc(C)c1	408896054	MQGXUQCYIWKYOG-KEBDBYFISA-N	514.931	7.109	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1	408925048	SJGSUCJFINIYIB-BBUXEPKYSA-N	617.492	8.254	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2Br)cc1	408925631	SKRYCIAEFFXXDN-XNTDXEJSSA-N	582.259	6.078	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccccc1C#N	408961208	LHBXXOBTAJWTCJ-XODNFHPESA-N	549.337	5.327	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408991977	PKOMQQRTIFGODA-OATUGGLUSA-N	682.784	7.244	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc21	409013001	JPEJJYSAKLCSCB-PDFSKNBMSA-N	603.547	5.660	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(O)ccc2ccccc12	409015157	OABNMYRHILTABR-SZWCFKJTSA-N	516.425	5.301	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCOc1ccc(Cl)cc1Cl	409019329	WJCZICOUSPAFQT-ZCZCTQKPSA-N	631.354	5.805	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccccc4)(c4ccccc43)[C@@H]2C1=O	409031482	GXQQVLZEHWDVOC-KUAZKQCOSA-N	560.053	5.544	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1	409047585	OSNPVLXWFZGDGD-WOJGMQOQSA-N	601.251	6.643	50	40	KKGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409049503	RCWWHNBRQDPHMY-RHANQZHGSA-N	561.379	5.291	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409071923	QPJWADPZYUVFGP-RIYZIHGNSA-N	641.681	6.087	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)OCO3	409102129	UWAYHXQAJQIFNS-JOCHJYFZSA-N	574.200	5.877	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)C2=C1CC(C)(C)CC2=O	409143182	NOTUKJWNSDCULS-AREMUKBSSA-N	600.941	6.073	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)cc2c1	409188054	WPJAQKCTXHKXOC-MBTHVWNTSA-N	536.382	5.375	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409219562	NVXUBJLVSADBMM-KDESBZNKSA-N	633.444	6.545	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc2n1Cc1ccc(Br)cc1	409222360	WUKLMXHKXMQMEO-MOHJPFBDSA-N	512.451	6.417	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409241193	JICLRNQWSMBKKO-VBNMEBLOSA-N	560.275	7.128	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1	409265589	VSVWNKVFVQAOBG-YBEGLDIGSA-N	589.671	6.428	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1	409266852	LKEFBXHUYVRFBI-ZSNODQNZSA-N	510.421	5.638	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409268709	XYHZHFUKQPHMJA-PPDIBHTLSA-N	642.675	5.497	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)c(OCC(=O)Nc5cc(C)ccc5C)c(Cl)c4)cc3)cs2)cc1	409269719	MBQICYRKXLYLAW-ADJDCTSUSA-N	658.611	8.567	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409271713	WDCBHJIDVFAAJK-QDTIIGTASA-N	636.284	5.461	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409312915	OISPHSIBFPPYER-UHBFCERESA-N	542.419	5.738	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409316255	LUXJAFAPAJSCAY-CNCDYAKUSA-N	595.958	7.019	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)ccc1OCc1ccccc1	409319523	HOLIWCRUWLYQSO-OHUYPAJKSA-N	558.034	6.017	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Cl)c2)ccc1OCc1ccccc1	409326050	FZVWQQILHJXFOG-APTWKGOFSA-N	529.036	6.969	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1OCC	409334348	KZEVDPBISWTAAM-LQNQUEJISA-N	568.468	5.726	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409363747	MZIPAPRAVGYKFT-UDWIEESQSA-N	552.400	5.228	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409371067	AMYXQTDZFPRKDD-JAIQZWGSSA-N	536.382	6.146	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409371131	GHXHXQDTDHJNBR-RPPGKUMJSA-N	691.101	6.010	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409373189	SBYAYNMYZPIJEK-LQNQUEJISA-N	505.684	5.385	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409376921	BXQDSHRSSSCSND-WBIBEUCMSA-N	656.164	7.396	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409382376	KXWNGLLRKDEONV-PDGQHHTCSA-N	540.403	5.964	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409395083	JQQROCLXKROSKA-UHFFFAOYSA-N	867.716	8.627	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)[nH]c12	409396373	YAGXFUFCJAIMEW-UHFFFAOYSA-N	637.284	6.945	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)cc1OCC	409396657	ZTWGUKDASMGOEZ-UHFFFAOYSA-N	704.021	8.097	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccco1	409396880	CJPVFDRMKALCIO-UHFFFAOYSA-N	562.807	6.827	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1	409399033	XOFLBSLZDJBJFV-UHFFFAOYSA-N	649.872	7.085	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c3)o2)cc1	409402245	JJGNVLOZHMDBLP-KDMZMTIXSA-N	625.432	5.553	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc2ccccc12	409404246	PNKSTFFENHLBDJ-UHFFFAOYSA-N	678.583	8.533	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	1529548238	ZJGLGHZDJMNGOH-XINRNAFCSA-N	760.461	5.374	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)n2-c2ccc(Cl)cc2)cc1	1756445	JNNMTZMFIMGTSQ-XODNFHPESA-N	546.867	6.146	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccs3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1822616	LPJQVPJNOIRESM-JVWAILMASA-N	505.669	5.544	50	40	KKGB	
N#C/C(C(=O)Nc1cccc2ccccc12)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1	2340914	FDZIQSNIVORCHG-LVVXZCGBSA-N	510.018	6.558	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	2670868	IDOQWRXQZIYYPL-LFIBNONCSA-N	525.373	6.755	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/C(Br)=C/c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1	2697673	TVKXXTPISNHEIX-KNGTWFMJSA-N	526.504	5.893	50	40	KKGB	
COc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1cccc(Br)c1	2801763	NZNAFPKYPXEIKV-WIOPSUGQSA-N	515.411	5.630	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	3991858	AQCGYPDAJUYTJQ-HKOYGPOVSA-N	660.730	5.076	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCCC1	6445687	GBKPKVQLURYXHU-FXRJOTQOSA-N	579.078	6.778	50	40	KKGB	
CCOc1ccc(C(=O)[C@@H](Br)CCCC[C@H](Br)C(=O)c2ccc(OCC)cc2)cc1	6600750	QMWHPWAIBANBLA-VXKWHMMOSA-N	540.292	6.637	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Cl)cc1	8456188	UXYHRWAKRKZOAQ-LJAQVGFWSA-N	619.505	7.430	50	40	KKGB	
COCc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c1C#N	18192571	DYCXOVPSRJARFT-VTNSRFBWSA-N	523.662	5.725	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)cc1	53333262	KEISCAQBMSQGCP-MUUNZHRXSA-N	566.683	5.820	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	59334164	WVSURKZVIXHGJG-AUWJEWJLSA-N	501.151	5.172	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1	59856694	JIWNITXSOFXODR-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccc(CC)cc2)=C(C)N1	98048655	PHGCMZCJWKRXNC-NDEPHWFRSA-N	542.661	5.947	50	40	KKGB	
CC(/C=N/NC(=O)CNc1cc(Br)c(Br)cc1Br)=C\c1ccc(C(C)C)cc1	100036771	BXGOVESNQHZGSK-BMVFJUPHSA-N	572.139	6.715	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)c1	100124883	MECNSCMTUFKSOL-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	100226364	BWZKZLKGLDCSJZ-GRSHGNNSSA-N	550.223	7.640	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1	100291423	AVRFORRQUNTVHH-VFLNYLIXSA-N	604.832	5.476	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc(Br)cc1	100858509	LCZOLEYPCDDQPB-QRQIAZFYSA-N	521.440	5.089	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=c2/cc(C)c3cc4c(cc3o2)OC2(CCCCC2)CC4)c2ccccc2)cc1	101487340	WQAUOKIUHIDWRF-YPAIREEFSA-N	585.726	5.729	50	40	KKGB	
COc1ccc(OC)c(-n2c(SCC(=O)/C(C#N)=C3/Nc4ccccc4S3)nc3ccccc3c2=O)c1	102901165	WBYYWTSVCGXTBC-BWAHOGKJSA-N	528.615	5.017	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	103860955	HLKUCTZIRDQZCT-QGMBQPNBSA-N	609.145	8.260	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cccc(Br)c1	103900250	XAIFDMRDJVVNKE-STBIYBPSSA-N	566.477	5.098	50	40	KKGB	
Cc1ccc(-c2nnc(SSc3nnc(-c4ccc(C)cc4)n3-c3ccccc3)n2-c2ccccc2)cc1	105965542	OZQREYBJCCKEKN-UHFFFAOYSA-N	532.698	7.598	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342061	UEPSGWDDNYBNRE-UWTATZPHSA-N	942.051	11.564	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342087	BTVDWOGWGPIVTP-REOHCLBHSA-N	892.044	10.928	50	40	KKGB	
Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/c3ccccc3SSc3ccccc3N)c2c1O	150366465	UUSQTFOMYFJGOQ-UODXMUSUSA-N	748.923	10.702	50	40	KKGB	
COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	164740397	ZTZZETIOHFXZGB-WZUFQYTHSA-N	657.029	5.300	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c2ccc(Cl)cc2)cc1	211064106	SROBBYWBINVOQX-QXUDOOCXSA-N	625.534	5.990	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)c1ccc(C(=O)O)cc1	408542366	LHJJAGMWAREQNF-UKWGHVSLSA-N	538.195	6.425	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	408555455	XNPXKECEMAKDMI-QMRORBIVSA-N	671.375	7.515	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1O[C@H](C)CC	408570834	ZBNPVQKIBWZWAR-JOBSNELWSA-N	509.093	5.924	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408649664	YVCVZUZVLDRURA-UJOPUZHASA-N	708.812	5.783	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408658535	VBHXJAVUNDKEFP-AXAFYDDRSA-N	766.226	6.712	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12	408719788	SDWVBWMODDLICW-KWRNATMASA-N	546.026	5.236	50	40	KKGB	
O=C(N/N=C(\COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1	408734472	SNFQQKCOFWHENQ-JWVZJPBISA-N	649.629	7.752	50	40	KKGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408743368	SKCYAIILYLXHFK-VTHYWXAWSA-N	618.118	6.244	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745562	NXAAABXDJCXUHG-SXGWCWSVSA-N	536.640	7.534	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408746139	RFJNTYWQRRIDFD-XKZIYDEJSA-N	686.287	7.182	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2Cl)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408750392	MGWHHFSBLKCKMH-MNBJERMJSA-N	596.852	5.910	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408756535	VZLIERSGFKOGSZ-GRSHGNNSSA-N	631.151	8.796	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(I)cc1	408767354	ZQZBEABCZRJREN-MFOYZWKCSA-N	715.123	6.792	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(I)cc1	408773123	GMLLVFBYCSHWGI-BKUYFWCQSA-N	538.385	6.041	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408788222	JGRWWWJFZVHIHW-CXUHLZMHSA-N	567.185	6.862	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(C(=O)O)cc1	408790752	YGNATWGANWIURP-DJKKODMXSA-N	555.812	6.242	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(I)cc1	408792145	IRENWVXQGCEBKQ-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c1C	408796887	QLTQGYFKSZTBHF-YDZHTSKRSA-N	590.315	8.106	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Br)c1OCc1ccc(Br)cc1	408802631	ZPIYHDABJPEENZ-JHAUMMSCSA-N	562.302	6.401	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1OCC	408807300	GXRLONJZDKZLHV-CXUHLZMHSA-N	568.795	5.139	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1Cl	408808058	CZAOQDUZFLIAAX-NVJOKUIPSA-N	639.671	6.805	50	40	KKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408818529	XDDGIDYIKHLGFF-UKOFFBAASA-N	532.276	6.392	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	408829465	JXXORYMGRBRQTK-DPNNOFEESA-N	609.079	5.151	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408836976	XKCAACQIKXUVOL-YDZHTSKRSA-N	642.366	9.403	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(C)cc2)c1	408837233	ANOWBJLTTDIPFY-PPOKSSTKSA-N	605.116	5.645	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1ccccc1	408838862	JJZWYVGEGZMHBR-BIZUNTBRSA-N	586.442	6.083	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408840365	BAFPQDQKEANNNH-OCSSWDANSA-N	542.935	5.484	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1cccc(C(=O)O)c1	408840718	FEDCZVUBFOKYCH-VVEOGCPPSA-N	541.555	5.704	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCC(=O)O)c(I)c4)cc3)cs2)cc1	408842090	IMBQXYOSXWTSBD-XKJRVUDJSA-N	691.345	6.457	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408842104	OBYLFAQQMCBKSW-XKJRVUDJSA-N	694.229	6.022	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(C)cc1	408843841	NXBODSFFZAJBDL-JEPNHJGPSA-N	576.722	7.912	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1	408847552	STRIALRPGAVXCV-FFXZQHEYSA-N	658.563	8.242	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408854844	ADTHMWDPYKIQPW-RQZCQDPDSA-N	573.318	5.472	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408855042	CSDJUYZUPMAEGS-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	408857657	VPASNZHAWJYMEH-WBIBEUCMSA-N	677.824	8.974	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(Br)cc2)cc1	408862202	GEJDBXSMQWISOE-KCSSXMTESA-N	626.960	6.336	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408862783	MDCKTCVQWODHCI-WCMJOSRZSA-N	630.948	5.760	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSC3c4ccccc4-c4ccccc43)cc2)cc1	408866506	GNHFTSQFLILHBW-KCSSXMTESA-N	537.641	5.666	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1O	408867001	IIAFIHMHUQLMKH-VTNSRFBWSA-N	642.959	6.285	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1Cc1ccccc1Br	408869921	SYDPAOIXAXPPMJ-GIJQJNRQSA-N	530.249	7.209	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408869994	USJXRVUIOAJACS-ZMFRSBBQSA-N	548.231	5.572	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c(OC)c1	408874897	DYBHIRDBAJSXDF-RGVLZGJSSA-N	525.374	5.408	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408881390	KXTMMNCFJDFQGN-NTUHNPAUSA-N	588.714	6.165	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)c(OC)c1	408882181	LNSHBRJEZIGCKT-AWQFTUOYSA-N	630.289	5.729	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408886225	FLKWBVWJQHMQAK-GZTJUZNOSA-N	500.935	5.110	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)cc2OC)cc1	408887336	PTGCDNOXZGBGRR-GZTJUZNOSA-N	588.785	5.727	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2Br)c1	408889257	BVEDZRWUAVGITD-CIAFOILYSA-N	509.831	7.152	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OCc1ccccc1Cl	408889497	DDYQTSILSPDKLD-VCHYOVAHSA-N	639.171	8.350	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2-n2cccc2)cc1	408892463	BRSPTCLRGNMZQF-OGLMXYFKSA-N	518.367	5.232	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2Cl)cc1	408898177	VLJVXHHQEBJODG-RPPGKUMJSA-N	566.513	5.922	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c([N+](=O)[O-])c1	408938830	AILNMHFNXFNKGC-HHHXNRCGSA-N	716.998	5.475	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1	408953318	XMAIMZVTFLPHLY-VWLOTQADSA-N	632.482	5.047	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)c(OC)c1	408957335	UFOPKRWTTHKVQK-WHNQQBDFSA-N	827.470	6.515	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408986138	LSILPYGIPNNYQG-MFOYZWKCSA-N	550.667	7.842	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1Cl	408986385	BZDFYKNJRSOLLY-MFOYZWKCSA-N	550.667	7.842	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1	408997856	OJLLMRRPLXJXAH-VTNSRFBWSA-N	590.861	6.646	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(OC)cc1	408997875	ORZNBGQVSUXDGL-FMFFXOCNSA-N	551.599	5.638	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1Br	408997992	PMYXJWHGTUQJQF-VPUKRXIYSA-N	631.148	7.187	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccccc1OC	409009803	IFZUSVUDWHRJCK-UUFNBZTESA-N	664.762	8.000	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21	409016763	ROQAUGWESJMFCO-ZXHWNDRNSA-N	623.537	5.465	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1cc2cc(Cl)ccc2o1	409021482	JSUPRIDRSNWORU-FXMZOFOKSA-N	580.635	7.093	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc2ccccc2c1	409036047	RFXXXYKMCYLZBO-BIKKEBSBSA-N	586.091	8.450	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)c(C)c1	409068401	GDIXDFQFMNGWFL-LDADJPATSA-N	545.842	6.033	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1	409161544	VKIWQKKEDIVARX-OKCVXOCRSA-N	557.434	5.279	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2cccc(C(F)(F)F)c2)cc1	409183600	DUXJMRQPWZXUPF-FJEPWZHXSA-N	517.573	5.285	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(F)cc1	409214164	WBJQARQRWIGGBE-XODNFHPESA-N	551.865	6.462	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccco2)c1	409218009	GSMJVYNSJMLHRH-UHFFFAOYSA-N	532.350	5.278	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(I)cc1	409242435	UXTONHPMCGLQHP-WKIKZPBSSA-N	597.222	5.473	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	409260912	YKBNXFZVTLYPFR-LICLKQGHSA-N	603.698	6.737	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409264938	MYCGMJPMRPMXRD-GRSHGNNSSA-N	659.864	5.611	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1C	409267588	OILJFKLGSNHKCI-KULFSUQXSA-N	644.584	8.259	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1OCC	409317017	OBTXJTHBSPNCIZ-NUJZUDFISA-N	521.828	6.787	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OCC	409317383	QCHJHJIIYYTXHW-MWLSYYOVSA-N	541.988	5.787	50	40	KKGB	
CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Br	409327095	QAQCQVPRWHACGY-MWLSYYOVSA-N	590.312	6.742	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1OCC	409336905	VKFHZAJQDZXCBC-RHANQZHGSA-N	525.443	6.288	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)c(C)c1	409365979	WVGYKFUQQQTLQR-XDHOZWIPSA-N	522.374	5.768	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	409380633	ORWSJQKAIYDHOW-XJECJHNESA-N	646.556	7.651	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384712	FHRCVZPIPSUQGN-ORBVJSQLSA-N	613.704	7.875	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1cccc2ccccc12	409386314	PKJDRJGPOIZUMU-WCMJOSRZSA-N	651.482	7.309	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386481	QFRWUOQPHQXIMV-RPPGKUMJSA-N	683.265	6.362	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409394461	ATKKZGIRBUGXTF-UHFFFAOYSA-N	511.940	6.611	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409395163	KNHZBQLLPULQJL-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396440	QRNMYKRCGDIPMH-UHFFFAOYSA-N	588.063	8.023	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)c(OC)c3)[nH]c12	409397695	MXDYSOQXKFQIBD-UHFFFAOYSA-N	566.057	7.351	50	40	KKGB	
CC[C@@H](C)Oc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	409400415	CWHSGWDQQAWLHK-OAQYLSRUSA-N	550.055	6.869	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccccc1	409403619	NPKAYOKQYDKRGO-KOKCXWAISA-N	721.446	8.533	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1[N+](=O)[O-]	409404283	PRGIEAPRYNITCD-GYJUCFALSA-N	653.486	6.031	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)o2)cc1	409406691	CBIQFNKUXCEFAP-KULFSUQXSA-N	681.370	8.319	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409407778	HPFHWOVXWLPMMS-FZKWRIDDSA-N	608.607	6.166	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(C)c2)c(Br)c1	1529546672	GJPSVCPGTSBVFT-MWKDUONYSA-N	730.479	5.984	50	40	KKGB	
CN([C@H](c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2)c1cccc2ccccc12)[S@](=O)C(C)(C)C	1857795006	GGIJOJJRUYYYEK-FJOUAFLFSA-N	579.702	6.810	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)o3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1815880	XMXQSCJFHHOTGO-LQKURTRISA-N	503.628	5.384	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1884014	ICAXMQLMYNGXIH-WCMJOSRZSA-N	568.530	6.790	50	40	KKGB	
COc1ccccc1/C=N/NC(=O)[C@@H](C)Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1	2096867	GXEJHPVZCRUNNN-AXVACJNXSA-N	536.661	5.672	50	40	KKGB	
CCOP(=S)(OCC)Oc1nc(SCc2c(F)cccc2Cl)nc(-c2ccc(Cl)cc2)n1	2381165	IQBPOOGQIYNTDM-UHFFFAOYSA-N	534.402	6.953	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1	4047920	UCMVMZVVRBTWCW-MWAVMZGNSA-N	550.061	9.164	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1cc(Br)ccc1O)/N=N/c1ccccc1	8665875	RVGGVEVUGOGKTO-FKMMPOEYSA-N	574.439	5.673	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2ccc(C)cc2)cc1	20232245	MGMWZSKRDPIMJM-RWPZCVJISA-N	521.586	5.081	50	40	KKGB	
Cc1ccc2nc(-c3ccc(OCC(=O)N/N=C/c4cc5ccccc5nc4Cl)cc3)cc(-c3ccccc3)c2c1	53319149	KUELVAPEPQATIM-ZSNJKBEMSA-N	557.053	7.608	50	40	KKGB	
CCOC(=O)c1cccc(-c2ccc(/C=N\NC(=O)N/N=C/c3ccc(-c4cccc(C(=O)OCC)c4)o3)o2)c1	59222085	NOJQNWCSLKGKDJ-UWFZCHMSSA-N	542.548	5.227	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	97950392	MBQZIJPXUUNISV-PMERELPUSA-N	530.653	6.546	50	40	KKGB	
CCOC(=O)c1ccc(/N=C(O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1	97968947	ZGOSOKSXNUFIOM-DXTZOESMSA-N	566.466	6.885	50	40	KKGB	
O=C(NNC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)cc2)cc1)c1ccc(Br)cc1	98043425	OEVWTXPHSHLWQR-UHFFFAOYSA-N	652.299	5.154	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1	100065249	CTZHLKJZNORDJS-JVWAILMASA-N	524.857	5.691	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccc(Cl)cc1	100066484	YTTTUOCUNLXNSZ-YUMHPJSZSA-N	540.874	5.983	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1Cl	100336241	WBDLMNCZTSBRBG-YVLHZVERSA-N	579.221	6.731	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(OC(C)=O)cc3)n2-c2ccc(Cl)cc2)cc1	100848459	BEWFNLYDEQQOCP-RHANQZHGSA-N	550.040	5.154	50	40	KKGB	
COc1cccc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)c1	102436654	OTYTVPUDHOSGTC-XSZJBBQGSA-N	626.524	5.432	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)c1nc2ccccc2s1	102687013	CJLIEGOSGPAOKD-JJIBRWJFSA-N	528.612	7.931	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2Cl)N1	102810147	GPRJJTDRNZSGPB-VWLOTQADSA-N	535.094	6.417	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1C	103588940	PMBDSBHIRMHXSO-VXLYETTFSA-N	522.355	5.799	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(F)c1	103890803	ONTYYSOGTOJRLD-ODLFYWEKSA-N	560.250	7.748	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)o2)cc1	103895440	RSHVYOKPAGJZOG-PPOKSSTKSA-N	550.659	5.205	50	40	KKGB	
C[C@@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)COc3ccc(N(CCCl)CCCl)cc3)CC[C@H]12	104118640	MMEUDKGOHJDRKZ-KLYWCANUSA-N	565.582	5.782	50	40	KKGB	
CN(C)c1ccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3Cl)CCCN2Cc2ccc(N(CCCl)CCCl)cc2Cl)cc1	150373366	YRMVLQNBZXOEAK-UHFFFAOYSA-N	734.471	9.034	50	40	KKGB	
CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCC	150382832	WKUXMFOLNOEMHL-RYDDITLQSA-N	736.799	11.267	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	150440534	ZPOSNDUQHPONDM-IPBVOBEMSA-N	816.013	6.404	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2cc(Cl)ccc2OC)cc1OC	150474263	MFGCHBLMSOPYBP-FABQOPTDSA-N	639.174	5.736	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(-c2c(Br)cc(Br)cc2Br)o1	150503949	KFCHQVXMTNDAJF-FATZIPQQSA-N	645.145	7.443	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cccs1	164439428	PXIUZPGNHVIFCR-PGGKNCGUSA-N	657.098	6.607	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2OCC)ccc1OCc1ccccc1	408537413	DUXZKLZFKQTKDU-PJYNGAJZSA-N	733.290	9.926	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2OC)ccc1OCc1ccccc1	408537472	FLLOAVXSQZPNRE-MFKUBSTISA-N	603.502	8.104	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)cc2OC)ccc1OCc1ccccc1	408540307	PVHVYBVGVZISHX-PTZDRTPLSA-N	725.636	8.366	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCc1ccc(F)cc1	408553277	NLDOUAMNARYRLK-HZHRSRAPSA-N	541.648	6.890	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2Br)c1	408567280	LIHVNQXLCGWYBZ-IUXPMGMMSA-N	541.218	7.179	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(F)cc1	408570816	YYFIVWNYEYZXTO-MFOYZWKCSA-N	510.338	6.645	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	408583892	YIKTUAFOEMRCBQ-QGMBQPNBSA-N	596.248	7.267	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccccc1Cl	408599207	PZHLOAQQIPYFBR-LGJNPRDNSA-N	579.778	5.594	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408637793	BDQISGSPFXUKJQ-CGXNFDGLSA-N	692.744	5.314	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccccc1	408732024	OFAXPMJKGQOBKK-NHFJDJAPSA-N	501.427	8.638	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741138	KHYRYKHKIKYFEM-QCFMCPCVSA-N	552.590	7.743	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)cc1	408742787	CASRBJRWIAPLOM-BWAHOGKJSA-N	509.581	6.757	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc(C)c3)cc2Br)c1	408744966	IVHMOIXAWKRSOB-MTJSOVHGSA-N	521.411	6.290	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc2c(c1)OCO2	408746254	CZMVETIPPGRZKO-ZDLGFXPLSA-N	507.340	5.311	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747851	USRLDTVVCNGLBT-BJUCDSOZSA-N	618.742	7.375	50	40	KKGB	
CCOc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1OC(=O)/C(C#N)=C/c1ccccc1	408752178	GTSTVTZNOFTERM-DEDYPNTBSA-N	513.457	5.768	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2I)cc1)C(=O)Nc1ccccc1Br	408758760	QPUWMWSKYHTLDL-GHRIWEEISA-N	602.226	5.617	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccccc1C#N	408766052	YXOMWQATSYCZPQ-OCKHKDLRSA-N	567.237	6.217	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1)Nc1ccccc1Cl	408777597	CYFQSURPGZZXNZ-VTNSRFBWSA-N	564.494	7.067	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)cc1	408791116	UGJDWKFAHVYZBD-UDWIEESQSA-N	509.375	6.284	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(I)cc1	408792502	KIEHGQAGKXAECI-VCHYOVAHSA-N	648.251	6.485	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1cccc(C)c1	408793788	GQNYIPPATJNJOF-YDZHTSKRSA-N	566.439	6.740	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408793983	HLXRETPFWRAOQL-LICLKQGHSA-N	513.775	5.941	50	40	KKGB	
N#C/C(=C\c1cc(I)c(O)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795556	LNRPBTAHGJLETD-YCRREMRBSA-N	584.966	5.454	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408797400	RMEAXGCJSQPMHK-GIDUJCDVSA-N	615.536	8.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1cccc(Cl)c1	408797924	HHIWLKNLWGJQGJ-RGVLZGJSSA-N	616.839	6.255	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408799510	ZQUCKOJAXFBMDG-XDHOZWIPSA-N	603.254	6.577	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(Br)cc1	408805298	FYLOZWQXSZKWBY-WOJGMQOQSA-N	574.244	6.874	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccccc1F	408813148	FMLRFULGNMFIBH-XKZIYDEJSA-N	548.355	6.708	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(Br)cc1	408816170	SRKIILOZPJXBAQ-WOJGMQOQSA-N	621.244	6.716	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(C)c(C)c1	408818602	XMLKXQZBWCPXJQ-FSJBWODESA-N	566.439	6.658	50	40	KKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408819819	UCSWDXOZEVSTGV-UGPDPKQLSA-N	532.276	6.392	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1C#N	408819829	UDWVQPHHDHTWIS-DBSPGSINSA-N	619.519	7.438	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408827838	HEELEAJLZYUSQK-ATZGPIRCSA-N	645.952	6.010	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408829768	KPLSJWAZPAVNHO-TWKHWXDSSA-N	521.683	5.643	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	408835396	YRHSBNQIKXMBIL-NLRVBDNBSA-N	519.557	6.607	50	40	KKGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408840297	AKGIYABLIZIWPC-RPPGKUMJSA-N	513.362	6.133	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(F)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408847520	SPIWPENUBUDCFQ-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408849365	ZVBXUKPVQLWGTO-SAEPALGJSA-N	623.565	9.357	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2cc(C)ccc2C)cc1	408858730	LLPJUIKSWBYOTA-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408859116	WPEKBRFXGOBNQP-KKMKTNMSSA-N	523.214	5.893	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl	408862429	JIJMXGAPOFQZBO-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(C)(=O)=O	408863804	UNQSGYSBSVWAGG-WKULSOCRSA-N	608.942	5.169	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408866232	GFMBCDPZFUNROZ-PCLIKHOPSA-N	602.326	7.927	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1ccc2ccccc2c1	408869736	TZMKTMWQLQEBIX-VULFUBBASA-N	648.497	6.663	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1	408879389	FYOJLPDLFUEPIA-SFQUDFHCSA-N	530.389	5.265	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)cc1	408885356	YSOBVEZSUZONGG-ZTKZIYFRSA-N	507.656	5.082	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1	408888259	YBYXSVCVFIAZLX-MHWRWJLKSA-N	523.299	5.912	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccc(Br)cc1	408889025	ATXBOXIBVHAAIG-UDWIEESQSA-N	536.382	6.189	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2OC)cc1	408892450	ZLHLXNDTTMOWID-UVHMKAGCSA-N	586.489	5.538	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408895578	NILLNQONSHSCTK-WOJGMQOQSA-N	555.328	5.333	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1C#N	408970158	BTGANWXFLBMRIS-MOLIZVDHSA-N	615.517	6.089	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccccc1	408978267	HNOIGWUHCDAUSI-ZVMZLPNLSA-N	524.415	5.356	50	40	KKGB	
COc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1	409015448	RCQFXGUZQIUAAG-UHFFFAOYSA-N	545.039	5.846	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409018374	UUFOTKCJFJIDLK-QDTIIGTASA-N	572.799	6.499	50	40	KKGB	
O=C(N/N=C/c1ccc(O)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409021226	ZGZTTXPJWNHSQD-IFRROFPPSA-N	563.971	5.032	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1c(Cl)cccc1Cl)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409024850	IFPFYNGNMDOFOY-KSXCTLEASA-N	506.411	5.091	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409042238	WUMMIRPSTUSXMG-OHUYPAJKSA-N	554.419	7.146	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)C(=O)Nc1ccccc1Cl	409047664	PLQQESZMQZXZEM-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	409059149	UJWQFLAGLCCZBT-WOJGMQOQSA-N	590.293	6.142	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409208902	DDFYWFJQDBYKRR-XODNFHPESA-N	577.884	6.021	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409218128	HKCHANAMJIMBCI-UHFFFAOYSA-N	571.973	5.313	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccccc1	409219495	NEMQCBBXJLTGBB-UHFFFAOYSA-N	572.415	5.693	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	409223054	GCIZHDHEXVIUEH-UHFFFAOYSA-N	527.964	5.584	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409226870	XMURJFJHLOJGGD-UDWIEESQSA-N	629.882	6.523	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1	409244810	JBNAGCQMRBORHB-CFKHXJFWSA-N	519.439	6.520	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1	409259139	WUQHDOORCNOGIT-YLYVUXRMSA-N	767.931	9.130	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409263201	IGIWOFYKKROBEN-WBIBEUCMSA-N	684.616	7.805	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1	409271297	UKIHPMYFYQCTPA-ZRGSRPPYSA-N	590.228	5.210	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)c1	409272365	YHGABLVPTCBWLY-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OCC	409311590	BBWGTCXQQLUOOK-NUJZUDFISA-N	566.279	6.896	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)cc2c1	409335596	KNOLBCNQQCLPQS-BVMLUPFRSA-N	598.425	5.913	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)SCCS1	409365188	QEWSFADNZHTZBM-MZJWZYIUSA-N	688.394	6.664	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(C)cc1	409374478	QRDBDCAXVUIPKK-MTJSOVHGSA-N	502.412	6.984	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409378100	LUVGYTWIKWKRMO-IPBVOBEMSA-N	680.111	6.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409382777	OWJKXINNSURKIB-CPNJWEJPSA-N	550.409	5.420	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(I)cc1	409392824	NUHSMVSRIHCMQK-NVMNQCDNSA-N	611.192	6.687	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1	409395191	KUSSMNANHRXHRA-UHFFFAOYSA-N	728.768	7.847	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409395281	LXMLZKOWLBRLQO-UHFFFAOYSA-N	661.896	7.541	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409396992	DUJVRRWXUVWVPH-UHFFFAOYSA-N	632.044	6.645	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCC(=O)Nc5ccc(Cl)cc5)cc4)c3C)o2)cc1	409402380	JYKMHGQBSYSEKM-YTJQMYRNSA-N	690.200	8.108	50	40	KKGB	
CC(C)[Si]1(C(C)C)OC[C@H]2OC(n3ccc(O)nc3=O)=C(OC(=O)c3ccccc3)[C@H]2O[Si](C(C)C)(C(C)C)O1	1081070663	LXZOPNOKKKUTCF-VWNXMTODSA-N	588.806	5.287	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	1529546092	CPBNRKZMXJCARQ-IMBFNDCQSA-N	832.342	6.825	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	1529546395	FWADFGCJIOLXOI-MKEMXLLOSA-N	795.348	6.438	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	1529548793	NXHXFTBBFRDLJI-WYYYSUTFSA-N	664.615	6.190	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	1260428	YDYJCJHRGBXJRK-MUUNZHRXSA-N	508.647	6.010	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c(O)c1	1867787	LBZSQSPGXAUBFZ-STBIYBPSSA-N	535.073	5.382	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1	2325665	CEJAYLLQPAFBAA-OGCOBRASSA-N	504.011	5.722	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196236	AWLBSTZULAKTMI-HIUVJMHLSA-N	681.990	7.338	50	40	KKGB	
BrCCCCCCCCCCOc1ccc(OCCCCCCCCCCBr)cc1	4748134	JBQFBZBDBRIJFF-UHFFFAOYSA-N	548.444	9.476	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	6445800	FEUWOSJCNTXMPH-LVTPPWGZSA-N	561.041	5.189	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1ccccc1Cl	8443096	HRNYYHGWRALGMS-HSZRJFAPSA-N	521.042	5.293	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1	13892688	JGQKCAUTJYQALG-RWPZCVJISA-N	514.413	6.013	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2ccc(Cl)cc2C)cc1	14166373	CYLOSDSWGJQMTA-MUFRIFMGSA-N	522.026	5.161	50	40	KKGB	
O=C(N/N=C/c1ccc(N2CCCC2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	59138254	JHOKVQFYMPHABZ-GZZLJNBRSA-N	500.602	6.768	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	59336176	SWZLINIYGKVHPT-WMZJFQQLSA-N	504.551	5.418	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1	59646179	FBOOAKPLUTXKIF-XICOUIIWSA-N	598.124	6.726	50	40	KKGB	
Cc1ccccc1C[C@@H](C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccccc1	97962951	IKPKNTTZAUGABT-KWAQJPELSA-N	527.462	6.813	50	40	KKGB	
CCCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3ccc(NC(=O)c4sccc4C)cc3)c3ccccc3n2)c1	97965671	XQEISFSIKDFXCV-HPNXWYHWSA-N	562.695	7.467	50	40	KKGB	
COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC	97966515	XULWCVCVKMXDMO-NBVRZTHBSA-N	610.917	7.459	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)cc(I)c1OCc1ccc(Cl)cc1	97972277	CXGSLAOFHKLEBP-ZRGSRPPYSA-N	535.769	5.081	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	98048467	ZEVSXBLEPVYBJV-DEOSSOPVSA-N	522.457	6.792	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3ccccc3)o2)cc1	100211311	HMEFVMQMXSRMLM-FDAWAROLSA-N	596.061	5.131	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C(Br)=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852090	MPXYPZNBRLABOI-VFASASAHSA-N	604.574	6.871	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)C2=C(O)CCCC2=N1	102528919	XWFWLFWTWNFQGC-HSZRJFAPSA-N	531.987	7.309	50	40	KKGB	
N#C/C(=C\c1cccc(NC(=O)C(F)(F)F)c1)S(=O)(=O)c1cc(Br)ccc1Br	102569009	PWKLWAUTMOSNFD-NTUHNPAUSA-N	538.139	5.051	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1F	102719497	SQLNWENWAIILJJ-MUUNZHRXSA-N	542.636	5.849	50	40	KKGB	
CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528254	QDVBAFVKMITTAX-LLVKDONJSA-N	500.227	7.789	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1	103755327	PCQWXOKGWDCDBR-MTJSOVHGSA-N	538.385	6.041	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1	103887523	XHCKYGZOUGTWJY-LSCVHKIXSA-N	617.237	6.216	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	109192221	KCNRWZPZYLPLLQ-GTWSWNCMSA-N	544.743	6.818	50	40	KKGB	
c1ccc(C[C@H]2COC(c3cccc4c3[C@@]3(CC4)CCc4cccc(P(c5ccccc5)c5ccccc5)c43)=N2)cc1	117694198	WDIPXXMCRPGMIB-RUCSKDCOSA-N	563.681	7.011	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	164587867	ILHIICXYOVAJKK-UVHMKAGCSA-N	705.128	6.400	50	40	KKGB	
N#C/C(=C/c1cc(I)c(O)c(I)c1)c1ccc(Br)cc1	408531975	PHZAYMOJQMQYQO-WZUFQYTHSA-N	551.947	5.428	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccccc1	408536660	AHEPKJZGJZAPGS-KZUBHAMTSA-N	768.133	10.290	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408542604	MMNJEGZEIBBFIC-OCKHKDLRSA-N	556.312	5.549	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408544524	WVDQSSMHZXEBIM-NHDPSOOVSA-N	569.351	5.729	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)CC2=O)cc1	408601227	ANQKOJCBVVBBAE-IBGZPJMESA-N	528.436	5.640	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCc1ccc(Cl)cc1	408608638	HYIWGJGBXMPSFS-IPPBACCNSA-N	514.409	5.677	50	40	KKGB	
O=C(NNc1ccccc1OCc1ccccc1Cl)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408608847	PZWKYEQXPFIRAF-KRWDZBQOSA-N	514.807	5.178	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)c1	408650344	MIZRWWHYHVXRLU-XFSFDTJHSA-N	744.820	5.586	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408676962	OBCJCFFDUVHJQS-FMFFXOCNSA-N	510.613	6.176	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408681952	JWFRKWJBDBYSRM-VPUSJEBWSA-N	597.292	7.790	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1	408710687	VJONQGDELOUUQG-RPPGKUMJSA-N	687.228	5.164	50	40	KKGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408742179	NPTPSXJSGUXZSL-ZCTHSVRISA-N	547.527	6.097	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408742856	CFOBIKIWARWSKV-ODLFYWEKSA-N	507.930	5.780	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1	408745567	NZBNOLKZRMDABD-NVMNQCDNSA-N	584.366	5.162	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2	408748024	XDQAXTQJYMDYEE-IUXPMGMMSA-N	541.785	5.964	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccccc1	408748530	DOYOSBYZRDIRSJ-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408755598	QYYDXURRRVOSCD-ZDLGFXPLSA-N	648.251	6.485	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408757779	BYELOMHRWGMWLO-LICLKQGHSA-N	561.841	5.733	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408759484	FWWXIUHZOVASKY-APSNUPSMSA-N	564.636	7.129	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc(C(C)(C)C)c1O	408766279	TWWHRDSXHWSYBQ-FDALDRLYSA-N	615.612	8.565	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408777642	DVTYOPQUUCDLEO-CHHVJCJISA-N	512.629	5.876	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(I)c2)c1	408783520	NYUSIOYKZYGTFZ-MLPAPPSSSA-N	527.156	5.092	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(I)cc1	408784999	FCIITQXYEPPSGV-ATVHPVEESA-N	501.755	5.898	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1	408790649	XMTQMGCBVFYEJY-XDHOZWIPSA-N	504.373	6.329	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccc(C)cc1	408796781	PDTMSWWKIYBBOH-LPYMAVHISA-N	549.421	6.068	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1	408804322	XNQLTZHBPIVGOS-YBFXNURJSA-N	541.829	6.634	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)c1C	408811515	MMGOOMZMYRRXHF-BWAHOGKJSA-N	548.712	7.449	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408817201	ZYBKRRIBEUBEBW-HKOYGPOVSA-N	533.425	7.880	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1c(C)ccc2ccccc12	408817931	WRVXTULACUZQIU-HYARGMPZSA-N	574.418	6.886	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408818009	XPGBDPNYCXVIEV-ZXSNDDASSA-N	560.610	6.712	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1C#N	408820618	YXLVTXTYCYETMP-DBSPGSINSA-N	666.519	7.281	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408822166	LDYXLPDRCKVOFB-LPYMAVHISA-N	608.865	8.259	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1	408831940	WIEDMHGCFNRGCK-ZHZULCJRSA-N	600.911	7.177	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	408837636	KGOWIKZONREHJX-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Cl)c(Cl)c5)c(Cl)c4)cc3)cs2)cc1	408838870	JNLYXVUXITVTRS-QNVXDBMFSA-N	621.977	9.165	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408841218	DGLGVMYNCWQZRJ-BIZUNTBRSA-N	582.569	5.238	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccc(Cl)cc2C)cc1	408842002	NEWAZYGGWHJOSQ-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
Cc1c(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc2n1Cc1ccc(Cl)cc1	408866143	FXEZFWFVCYDXMD-JJKQSNDFSA-N	614.942	7.163	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccccc2Cl)cc1	408873741	VHFBCAQDGZVBJG-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1Cc1cccc(F)c1	408874686	FFFAJYBFCJBPRO-VCHYOVAHSA-N	605.245	6.728	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408887044	LOGSTZJHUAXMQX-KVSWJAHQSA-N	512.220	7.042	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(Br)c1	408888743	ZXWSLAWAHZLBRA-MDWZMJQESA-N	565.605	6.887	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Br	408889129	ACPSHMHYNDWLIS-LSFURLLWSA-N	507.009	5.847	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OCc1ccc(Cl)cc1	408893585	HBYWMDAQOOGKOZ-VCHYOVAHSA-N	593.248	7.040	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c([N+](=O)[O-])c1	408896417	NKTFKSVLSCNWRJ-QGOAFFKASA-N	506.312	5.431	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(C)cc2)c(OC)c1	408898171	VKUNERVCAOINKE-MZJWZYIUSA-N	544.389	5.268	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408904289	HMSGPIMNIXQPRR-FXMZOFOKSA-N	616.137	7.570	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc(Cl)cc1	408905006	RUEGWTFCPKSFJM-PPDIBHTLSA-N	581.692	6.917	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1C	408921393	ARZUQCDNFGOFMN-VCHYOVAHSA-N	593.248	7.040	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2Br)cc1	408924131	LHHDUIOYTSNWBJ-GZTJUZNOSA-N	666.291	5.325	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c([N+](=O)[O-])c1	408925526	RXAQTAAWMCQHHS-XIEYBQDHSA-N	513.553	7.334	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(OCC)c1	408953304	XKSSGFYDAXCCPH-XIFFEERXSA-N	687.218	6.356	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408956462	XABIFVUWGVPSKF-IMRQLAEWSA-N	532.619	6.559	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccccc2Cl)c(OC)c1	408957457	UOYFLTONCKOOJR-VOSMKULASA-N	811.855	6.015	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)c(OC)c1	408958708	ZZTJXWRAIPJUGN-HVJLQFNCSA-N	811.855	6.015	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408965399	GWOMINDLALQPCH-PNQUVVCRSA-N	615.321	5.239	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCc1ccccc1C#N	408971008	FRCUVEUMHUBTIG-FJEPWZHXSA-N	548.393	5.817	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408972563	VFQANYUPBKZULE-RBGPALPBSA-N	528.436	5.037	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c2ccccc2)cc1	408977493	DUFWLWGDARGSEC-VVPZTHSTSA-N	577.706	6.287	50	40	KKGB	
Cc1cc(C)c(COc2ccc(/C=N/NC(=O)[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)cc2)c(C)c1	408979996	PGQAVWCMGNOWTQ-RIFWXKNHSA-N	545.680	5.751	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OCC)c1)c1ccccc1	408980862	TYICNZMRBWRXBK-BKZXGXTDSA-N	531.653	5.917	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)C(=O)NC[C@H]1CCCO1	408991390	NRUYFBGEBJILRO-APEZIOSESA-N	556.625	5.043	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1F)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409037437	NPIHUHQCVGLXNN-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
CC(C)Oc1c(I)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409038081	ZLTAPRCRTNLWAW-WKULSOCRSA-N	614.281	6.820	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409041551	JYPWTANAKHRBRA-DEDYPNTBSA-N	578.419	5.198	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409042252	WZKCXLIDUFUWIN-DLCNMLRHSA-N	727.315	7.593	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409045572	ZHCOBWHAWXVSAG-FRKPEAEDSA-N	509.286	7.276	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409045931	QBZQYFOEEMDIBY-CAQPMQTCSA-N	581.426	6.915	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1cccc(F)c1	409047511	OCMZQGAVZVXCEA-VCHYOVAHSA-N	544.218	6.784	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2Cl)Cc2cccc(Cl)c2)cc1	409051166	BDFPPXWLHOVICA-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409226009	SFJCXDSXPUFFCS-UHFFFAOYSA-N	630.053	5.908	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)NCCCc1ccccc1	409230768	GHTIQZOKIJVXEB-MTJSOVHGSA-N	693.279	6.039	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)cc1C	409248089	BXBOWSJDQZEJGA-YLYVUXRMSA-N	767.931	9.130	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1C	409273216	WDMDPRKKEUILIP-XDHOZWIPSA-N	522.374	5.768	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409305269	UMWYIHZRTXTXPA-AQLQTECXSA-N	626.382	6.738	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409314370	RATYEVVPKRDRAA-ACXHZZMFSA-N	574.461	5.971	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccccc1Cl	409325324	XVBNMWUNAYHQQF-HQDYHJHZSA-N	623.931	7.432	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc2c(c1)OCO2	409363034	KSIJCENEJIXWBO-BNCCVWRVSA-N	676.075	7.574	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409365687	VTIVXUSJVXNAJN-QMRORBIVSA-N	721.552	7.087	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372128	SESDJBRRZKNXPC-IUXPMGMMSA-N	548.618	7.416	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(I)cc(I)c2OCc2ccccc2)cc1	409372937	QVXKECCEUVCYLB-LGJNPRDNSA-N	639.231	5.197	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409396432	YIVKLKDYFWUOHQ-UHFFFAOYSA-N	812.083	9.254	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397810	OHKLWLFKRHIWAM-UHFFFAOYSA-N	582.056	7.187	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398461	TXMYXOCRBPYZRW-UHFFFAOYSA-N	616.552	7.144	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)Nc1cccc(F)c1	409404940	RLAHEKWPWHDMIR-GZOMZLSJSA-N	750.565	7.190	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCC(=O)O)o2)cc1	409404989	RQIBIOCJIMSCJU-NUJZUDFISA-N	566.408	5.256	50	40	KKGB	
COC(=O)[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409405291	SPMMOMBXNQGKAR-IZKGUHRSSA-N	594.462	5.733	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409405703	USVMXEJAFJDXLW-GZOMZLSJSA-N	703.565	7.348	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1cccc(C)c1	409405942	VLKOIPQPYXKJOA-BIKKEBSBSA-N	603.719	7.655	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(OCC)c1	1529548474	HDVKQLVXIXJGFB-QKRNDYIXSA-N	687.218	6.356	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1	1529549157	TVYOPOULGFVVIQ-JKYKOXDNSA-N	750.897	6.329	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3Cl)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1	673576	OLBYAZHIHOFXNR-KWMCUTETSA-N	557.006	5.964	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCC(=O)Nc1ccc(C(=O)OC)cc1	873403	IWFRAHLERGIZKY-GDLZYMKVSA-N	549.583	5.261	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nnc(-c4ccc(C)cc4)n3-c3ccc(Cl)cc3)ccc21	2605479	STBALYQKCBQPKP-ALQBTCKLSA-N	579.129	7.266	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)cc1	2672755	YHXXOIMXRNIACL-LHLOQNFPSA-N	575.068	7.716	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)ccc1OCc1ccc(Cl)cc1	2691333	ZJFVUWGIRSUMNR-GDLZYMKVSA-N	554.046	6.054	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccccc1Br	2705845	SVHBVJDHCPKMHU-LGJNPRDNSA-N	572.282	5.153	50	40	KKGB	
CCc1cc2cc(C)ccc2nc1SCC(=O)NNC(=O)CSc1nc2ccc(C)cc2cc1CC	5950091	RGZHZKMSJYLNDJ-UHFFFAOYSA-N	518.708	5.556	50	40	KKGB	
C/C(=N/NC(=O)c1ccccc1Br)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	8397933	PCBKNIWWMFMJPA-WKIKZPBSSA-N	505.199	6.162	50	40	KKGB	
N#C[C@@H](c1ccccc1)N1CCCN([C@@H](C#N)c2ccccc2)C1c1ccc(N(CCCl)CCCl)cc1	19325545	QKDYQJZBECAGGP-VMPREFPWSA-N	532.519	6.507	50	40	KKGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCCCCC)c(OC)c2)c(OC)c1	27563567	VDIIPHILKVXDFT-CXNZIMQDSA-N	518.610	5.491	50	40	KKGB	
CCOC(=O)N[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)P(=O)(c1ccccc1)c1ccccc1	59145448	LJMZTHRSPPALBY-INIZCTEOSA-N	603.340	6.514	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1	59646903	IHXPRRSQYQZRIF-KPGMTVGESA-N	602.927	6.820	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H]1COC[C@H]1CI	95682069	QBAODHXWEYFWJU-PHDIDXHHSA-N	644.103	7.084	50	40	KKGB	in-vitro
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	98048685	UVGQVHWSVNVGRV-MHZLTWQESA-N	598.046	7.170	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccccc1	98048703	CTOPZERLZOZOCX-MUUNZHRXSA-N	538.673	6.019	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1C	100100752	YPSAJEKAHLFMFC-RPPGKUMJSA-N	529.460	5.765	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C)S(=O)(=O)c1ccccc1	100289522	UIPMLWUCTXVUSQ-UXHLAJHPSA-N	595.519	5.211	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2cc(C)cc(C)c2)cc1OC	100303937	DAHLGJJLMQXYAK-ALQBTCKLSA-N	602.757	5.691	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	100351478	NHTPTASPDANIIP-RGXNXFOYSA-N	579.122	5.140	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc(Cl)cc1Cl	100852560	WODOBAADYQYCFO-WCMJOSRZSA-N	571.555	6.574	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cc(Cl)ccc2OC)=C(C#N)[C@H]1c1ccccc1Cl	101042266	DIINUTVSFXAWPW-AREMUKBSSA-N	594.520	6.770	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@@H]1c1ccccc1Cl	101273348	WUUIQGAHLBAKGC-QHCPKHFHSA-N	547.986	6.156	50	40	KKGB	
COc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1OCc1ccc(Cl)c(Cl)c1	101664046	CUCUMCWOJKWBLE-KPGMTVGESA-N	605.360	6.706	50	40	KKGB	
O=C(Nc1nccs1)/C(NC(=O)c1ccccc1)=C(\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102618263	LWKFXOQTYOHOGX-YHZPTAEISA-O	610.699	6.875	50	40	KKGB	
Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NNC(=S)N[C@H](C)c4ccccc4)cc3N2)cc1C	102657229	MFMMVYFJDMMCDN-LKUPVBHCSA-N	516.593	5.030	50	40	KKGB	
CCCCCCCCCCCCCCCCC/C=N/NC(=O)CCCC(=O)N/N=C/CCCCCCCCCCCCCCCCC	104081344	JSPZMVAGIHDGQK-CIJHUORSSA-N	661.117	12.884	50	40	KKGB	
C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104698966	XXWQJLXZDNFZMA-CMXUDJMYSA-N	530.137	7.557	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)P(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F	104826397	CTACDZGWOCCHGB-UHFFFAOYSA-N	576.027	8.680	50	40	KKGB	
C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	108929215	QOMMNBDLXZNDNU-LQKURTRISA-N	530.875	6.128	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341923	ODQNOPZQCDPYCL-OAQYLSRUSA-N	790.518	13.596	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	150385703	CIEKKGILRFXVGV-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
COc1cc([C@@H](NCCCN2CCN(CCCN[C@@H](c3cc(OC)c(OC)c(OC)c3)P(=O)(c3ccccc3)c3ccccc3)CC2)P(=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC	169809258	CSTXFNQWMAWLCX-BCCSUNCUSA-N	961.090	8.041	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2)ccc1OCc1ccccc1	408539562	XNSFSWKZGNZSMS-DIBXZPPDSA-N	534.612	6.798	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1OCc1ccc(Cl)cc1	408544363	VSGYXVNOGARFIR-UCQKPKSFSA-N	516.981	6.290	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc(C(=O)O)cc1	408544499	WOUNPHRUFUQDJL-OCKHKDLRSA-N	651.194	5.935	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc2ccccc2c1	408550341	GDIODRAOYBTRNQ-MWLSYYOVSA-N	534.453	8.797	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	408555187	WDSJONVHBFVJQQ-MJXLXAJKSA-N	612.897	7.016	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br	408566891	BIQSUZVRIVZIJB-WKULSOCRSA-N	568.518	5.907	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1nc2ccc(F)cc2[nH]1	408568769	KVIMMMGNLRBGCG-NDENLUEZSA-N	545.355	7.103	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408579915	LJGCGHQABPNXDR-FYJGNVAPSA-N	559.425	6.139	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccccc1Cl	408582731	PPOIFHNTGRVIEJ-RGVLZGJSSA-N	528.830	7.162	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O	408654529	QTCXTYCVGIUVJQ-OZTQZWFPSA-N	551.829	5.401	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1	408682285	KSYBQTWNKPQIIN-MSPXFKQSSA-N	566.677	5.183	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408711744	IMSXFHDSJVGQLN-BRJLIKDPSA-N	610.202	5.313	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	408732201	PFPNBMMKYZBYDS-OEAKJJBVSA-N	666.346	8.648	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408764249	LUOZOGVFCRACQC-NVMNQCDNSA-N	633.236	5.885	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408769338	RKHNANWJYSVZRR-JAIQZWGSSA-N	574.302	7.842	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c1C	408787440	ACYQAWLSDIYEMC-QGMBQPNBSA-N	656.145	8.102	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1cccc2ccccc12	408790812	ZCTREICYZOUCLX-ZVHZXABRSA-N	541.445	7.352	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408791774	CFZXNJLRZDTJQS-KOEQRZSOSA-N	501.026	7.154	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408791874	DOSPQXGGDBQSNQ-FYJGNVAPSA-N	565.420	5.524	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408794424	IIQMHOZHWHJKEF-LZYBPNLTSA-N	522.215	7.433	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(I)cc1	408794904	KLCXTYCMUNYAIQ-GIJQJNRQSA-N	593.248	7.040	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408796881	PQLQNXWGNJFOSU-LICLKQGHSA-N	557.198	6.244	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cccc(C)c1	408797680	SMIBBETVXISOKN-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1Cl	408799924	JJJSLILNSMCQTC-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408800638	QHXDMLUTUSIULM-HYARGMPZSA-N	527.418	7.044	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(I)cc1	408815011	STUIYNCKZNATHL-QJOVZPHJSA-N	675.954	8.062	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(F)c1	408820775	YNLLOOOZEIJNLG-DBSPGSINSA-N	626.526	8.096	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	408827157	GEVPHNGPRZVWCZ-JGRMKTMXSA-N	584.698	5.382	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408839128	NLZYENCSHBEVBE-ODQASSKESA-N	652.003	9.174	50	40	KKGB	
CCOc1cc(Cl)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408839650	VETJKEUWNVWXKL-OKCVXOCRSA-N	535.069	7.077	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	408845217	VHNVPBIWGQEFLM-WHQPAHRZSA-N	648.321	8.791	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1cccc(C)c1	408845958	QBFKHMBRQHYPLP-HNSNBQBZSA-N	556.018	6.283	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408846633	QZHMLAZLICFHLQ-BCHBDCPOSA-N	746.093	6.656	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(Br)o2)cc1	408850856	SHJLCDSOLCGNEF-WGARJPEWSA-N	527.216	6.335	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408852525	GZYIIKLOKNPHJV-UCMJSZAQSA-N	591.580	6.834	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2ccccc2o1	408854301	BYAMOOSOYVQPAS-MNDYBZJGSA-N	578.260	7.454	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1	408854683	BHLLHHZKBJDUQA-WBIBEUCMSA-N	708.369	8.302	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	408855217	ALOCWJMPHGULFC-WVKHYPTHSA-N	685.177	6.964	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	408856579	COJYYVJHVIGKSY-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1	408859750	ZKCXPPWOBOVOIN-ZXSNDDASSA-N	529.644	6.583	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3cccc(F)c3)c(OC)c2)cc1	408868841	NORYLXMFMCGRJR-YBFXNURJSA-N	556.375	5.974	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)c([N+](=O)[O-])c1	408888774	ALBRNKHNAGEJSG-MHWRWJLKSA-N	621.263	5.742	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1	408898185	VLWVHLFSRUQDHQ-DEDYPNTBSA-N	602.450	5.484	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408898492	WGMKJUIZWATXAX-MZJWZYIUSA-N	604.504	5.308	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	408899122	ZFRHFRPTRKXVHP-YBFXNURJSA-N	526.376	6.733	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(I)c1OCC(=O)O	408904139	FJQIPFGDNCCIQX-NUJZUDFISA-N	603.457	5.387	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCC(=O)Nc1ccccc1	408904750	OCPMYLHDWDGXEY-WKIKZPBSSA-N	590.272	5.702	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2I)c1	408921869	CTLZHRNUZKRLHU-VXLYETTFSA-N	668.700	7.291	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3ccccc3)cc2Br)c1	408922022	DKPKRTNOIHVGHY-DHRITJCHSA-N	502.206	5.863	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)OC	408969962	XVQONGGCKXLFOW-MDFIKCDCSA-N	695.394	5.352	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	408972037	OPKABXWSAWWRRK-RIDWNQMISA-N	629.338	6.661	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1O	408972200	NHPSRBDMHWAOSJ-BTFRVVBNSA-N	579.278	5.107	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1	408973504	SWOMYEGONYKDGI-NGTWNHJMSA-N	677.585	6.055	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408994212	HJTVWBYUCCEZHM-DXJNIWACSA-N	520.614	7.071	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(OCc2ccccc2)c1	409004365	CBZHQCXFXRPLFD-ZCTHSVRISA-N	592.515	5.369	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc1Br	409016706	RJEMOKKOECURBZ-PXHAWYGPSA-N	615.750	5.490	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409032188	LIJIUWBAYDUWAV-RHANQZHGSA-N	516.395	6.002	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409043829	ZWOSCOHTMBALGV-ICUTVXMZSA-N	597.700	8.133	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OCc1ccc(Cl)cc1Cl	409048551	RWKPVKZSCURTKG-LUOAPIJWSA-N	583.222	6.111	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409064817	FRVKKZYHMZBLEE-XNTDXEJSSA-N	541.334	6.326	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409068667	SLDDEQUSLVOGGJ-GZTJUZNOSA-N	517.390	5.624	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409068798	VZPHINUAEWRECL-RCCKNPSSSA-N	523.010	5.699	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)cc(Br)c1OCc1ccccc1Cl	409080613	ITPVLVBSJAZUGR-OPEKNORGSA-N	534.750	5.068	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccc(Br)cc2)C2=C1CC(C)(C)CC2=O	409124393	HDSJGXYMXAHSCV-VWLOTQADSA-N	536.470	5.411	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409139487	AMGDTOUWABKSEP-ALQBTCKLSA-N	634.755	5.091	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409157211	HZJXPVQEOVUUDT-XKJRVUDJSA-N	547.826	5.370	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409225200	PNDNHWMGKQDIAY-UHFFFAOYSA-N	641.305	7.000	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c(OC)c3)c2)cc1	409226076	RWRJBNYHSDTOJH-KGTZUASHSA-N	594.580	5.247	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)cc1	409247013	ARLYSDMGVUJAOY-ATVHPVEESA-N	540.801	5.674	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409247568	DJIHVPRMXSBRNB-NVJOKUIPSA-N	540.216	6.175	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccccc1F	409251061	SUUOXAAGJQGZEE-MUXKCCDJSA-N	550.343	5.240	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C	409251212	OXELQJBIMXFMKN-CLHYIUPASA-N	633.774	7.659	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1Cl	409265419	SKUYOMGBJVULQB-MFOYZWKCSA-N	514.796	6.518	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409269104	FFPMBQIFYNPKAK-KKMKTNMSSA-N	643.117	5.957	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OC	409319627	JJYWKMCRTYPEHP-MWLSYYOVSA-N	541.988	5.787	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(=O)Nc1ccccc1	409332664	LJGZNIHCFMANGW-MZFJOGFUSA-N	539.588	5.064	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)ccc1OCc1ccccc1	409333089	IJRKKGPAHRVUHW-FZPRHHONSA-N	578.452	6.362	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OCC	409334074	RNCXEGNSPFCECM-UHBFCERESA-N	538.984	5.353	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc([N+](=O)[O-])c1	409367517	CVBGUGMJANQLNR-ZRGSRPPYSA-N	600.278	5.005	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c1	409369783	XGLBOEKPMBFHRX-MUFRIFMGSA-N	519.395	5.962	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409383315	UFXZLKMVSCMMAU-MHWRWJLKSA-N	562.317	6.170	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409389618	CFPIQCXIUGJYLL-MFOYZWKCSA-N	546.311	5.660	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395815	SAJSBBXFYIDFDG-UHFFFAOYSA-N	659.726	8.680	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409396317	XQIRCVZGWZWWJV-UHFFFAOYSA-N	818.700	8.693	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396562	WXQUUIOANKFFLG-UHFFFAOYSA-N	644.055	6.943	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cc(Cl)ccc4OC)c(OC)c3)c(-c3ccccc3)c2c1	409399167	YDGLRUORUOLCOH-UHFFFAOYSA-N	598.055	6.887	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)o2)cc1	409400013	AXLGJUABQVBRTI-RODHXAHZSA-N	756.289	8.897	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OC(C)C)c(I)c3)o2)cc1	409401815	IDTWVDKNNFVTLV-BVMLUPFRSA-N	723.349	7.026	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3cccc(C(=O)O)c3)o2)cc1	409403257	MIQPLAWEUQAKSC-AEUUOICLSA-N	642.506	7.070	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(Cl)cc1	409406446	WUCXTWYRVDNXBW-QJOVZPHJSA-N	598.099	7.661	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409409721	QMSAUBMFYDIHLB-IZYHBKOJSA-N	721.402	7.783	50	40	KKGB	
C[C@]12CC[C@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@H]1CC[C@@H]2OP(=O)(O)O	584578415	ADFOJJHRTBFFOF-ANZUNKEZSA-N	520.390	5.299	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1	1529546551	FZSLLAUETKCRSS-RQQSEGDXSA-N	813.512	6.671	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C	1529548850	QWFNPFKGHSPQFI-IWCMBNRNSA-N	730.685	6.321	50	40	KKGB	
CC1(C)c2cccc([C@H](N[S@](=O)C(C)(C)C)C34CC5CC(CC(C5)C3)C4)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21	1857794987	DDAVVJQEEHFBRU-DQUPIJKKSA-N	661.892	9.186	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc(OC)c1OC(=O)c1ccccc1	985875	SFWDAFMEIGMOIU-AREMUKBSSA-N	550.615	5.730	50	40	KKGB	
N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1	1454167	HJYRMIVKPKSCST-RCCKNPSSSA-N	505.559	6.132	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	3112065	XAUTVEHQUBNSNJ-UVHMKAGCSA-N	502.195	6.862	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1	3114011	KVTMKBMDPQCZPB-DQMKJMRDSA-N	574.225	5.029	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C5CCCCC5)cc4)c32)cc(Br)c1O	5920876	CGWGEIYZNJPHFA-JOCHJYFZSA-N	535.442	6.209	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)c2C)c(C)c1	20243876	YLOSHQUPRAVCDK-MUFRIFMGSA-N	523.475	5.070	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1Cl	59333022	FOCFWCSMFPSLNX-JCMHNJIXSA-N	522.432	5.837	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2c(c1)OCO2	59336485	OQCJLADYNPXRRL-NDENLUEZSA-N	507.373	6.575	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3ccc4c(c3)Nc3ccccc3S4)c2)cc1	97980723	ZRVHRESBXHTLAX-UXHLAJHPSA-N	544.658	5.858	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@@H]1c1ccco1	98048533	OWXWIQDYAYXHAG-AREMUKBSSA-N	580.632	6.876	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1Cl	100062872	TXWARUBXLMIIJV-MUXKCCDJSA-N	536.253	6.426	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	100066480	QBNIPEPRVTUYAG-QQXSKIMKSA-N	551.426	5.238	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)o2)cc1	100211129	ILYIIMOLEXQQEM-FDAWAROLSA-N	580.062	5.431	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	100241933	SDWFOHAQBOCPAC-NVMPUMLXSA-N	572.731	5.185	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)Nc1ccc(Cl)cc1Cl	100394972	FGLFDHZGWFMNKM-VRINRKRESA-N	581.132	5.270	50	40	KKGB	
COc1ccc(/C=N\NC(=O)COc2c(C)cc(Br)cc2C)cc1OC(=O)c1cccc(Br)c1	100501537	JCSGLOOERZHQLA-QDTIIGTASA-N	590.268	5.585	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)c1ccccc1Cl	100858583	NXLDOQYGIRZPJZ-RWPZCVJISA-N	541.858	5.434	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103889718	YWVMBDDCCLLCEH-YVLHZVERSA-N	593.204	6.421	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3c(C)cc(C)cc3C)c(OC)c2)c(C(=O)OCC)c1C	109047879	UMYLRGNDRJZWGX-ZVHZXABRSA-N	589.710	6.642	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CI)CC[C@]4(C)[C@H]3CC[C@@]21C	118931432	YYROTNSLTVSUFV-AESDPALKSA-N	554.597	8.375	50	40	KKGB	
CCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCC	150382842	ZCQRAHOCIBGXEB-WHAQVLKXSA-N	652.637	8.926	50	40	KKGB	
O=C(N[C@@H](Cc1ccc(N[P@@](=O)(Oc2ccccc2)N(CCCl)CCCl)cc1)C(=O)OCc1ccccc1)OCc1ccccc1	150488526	GZYPHXQVUHOCPK-FLQHDMJBSA-N	684.557	7.646	50	40	KKGB	
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](C[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	206567141	XAOQVMRJPZGRCX-PDLUNHRISA-N	710.074	8.461	50	40	KKGB	in-vitro
COc1cc(COc2ccccc2/C=N\NC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1	408540677	VBUXIFJEHSJXON-ZXSNDDASSA-N	516.597	6.770	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1cccc(F)c1	408542685	NCNKAQTYTNDZMM-OCKHKDLRSA-N	586.357	5.652	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)c(C(=O)OCC)c1C	408546196	DZWYYRXBCGWLLE-SFQUDFHCSA-N	535.574	5.395	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(Br)cc1	408599287	RXKKIPSULMKUHY-WKULSOCRSA-N	615.265	6.558	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N2C(=N1)SC(C#N)=C2N	408602590	CTDCZOPVURFYLY-JOCHJYFZSA-N	532.423	5.733	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1	408611634	RILCVHUNDCRXBZ-MUFRIFMGSA-N	514.409	5.840	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408637735	AXTVASFYRJNZAA-LWSSLDFYSA-N	771.673	7.028	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408653026	PMKNVWDAGSWWTH-WFXMLNOXSA-N	537.802	5.321	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccc(C)cc3)n2)cc1OC	408724183	HFRGWCNEEPEBQW-QNKGDIEWSA-N	516.601	6.296	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741023	JHMBGPMKEIEFNK-RUMWWMSVSA-N	520.430	7.338	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(F)c3)c(I)c2)c1	408744347	FATWNTRAKFORTP-NVMNQCDNSA-N	668.244	6.558	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)NCc1ccccc1	408746214	CHTHMJBUCWZSPE-JMIUGGIZSA-N	525.786	5.603	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Br)c1	408746979	IWRDTDQBDFXXFS-CAQPMQTCSA-N	608.330	6.485	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408755629	REMPGQPPFIKAJB-CPNJWEJPSA-N	588.423	5.312	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408760920	AZDSHMOIBJIJEQ-CPNJWEJPSA-N	541.423	5.470	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)c1	408764260	SQFKHQRPBBCACG-WOJGMQOQSA-N	557.422	5.088	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl	408766651	WGYBOICTXJNFNY-XNTDXEJSSA-N	506.172	7.065	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1F	408767276	YVGGETJSOIJHNQ-SXGWCWSVSA-N	517.196	6.304	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408788054	ALRIYSUDGUEOBZ-GIJQJNRQSA-N	571.225	6.553	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408788844	MLBUTHQPKBZBNR-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408792816	CIYQEGARJXWGAD-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408795790	MPEHHDSTUMHYIF-GIJQJNRQSA-N	618.225	6.395	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1F	408795844	WIVIOIWCNIDZML-UDWIEESQSA-N	556.375	6.262	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccccc1F	408799862	IRMBOYNCOIHVHR-GZTJUZNOSA-N	530.191	6.475	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCc2cccc([N+](=O)[O-])c2)c1	408821489	ICDJMJZBOGNTGD-LFVJCYFKSA-N	570.001	6.960	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408823111	CPRFWJYXEQVBQB-MFKUBSTISA-N	573.476	8.014	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2c(C)ccc3ccccc23)c(OC)cc1Cl	408827321	KRPPMZYLTUJLKP-CIAFOILYSA-N	591.889	7.706	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408828394	DUVONSZQNLUXRY-LGUFXXKBSA-N	579.483	8.850	50	40	KKGB	
Cc1nc2sccn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408831427	PKNSPUPAVLYXSC-NUJZUDFISA-N	602.525	5.759	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1	408833531	RTJLNTDFSJZODM-FJEPWZHXSA-N	576.889	6.395	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(F)cc5)cc4)cc3)cs2)cc1	408842095	IPGOACUBJNIHBA-DPNNOFEESA-N	536.632	7.344	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)c(Br)cc1OCc1ccc(F)cc1	408842648	AGACVZUJPXAJFB-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(O)c(Br)c1	408843773	NOYZNNIDVCDSBO-ZNLRHDTNSA-N	578.208	5.829	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408844725	PEWXUAXLJQIOLY-AMVVHIIESA-N	578.437	7.793	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)cc(C)c1OCc1ccc(Cl)cc1Cl	408845092	JYKIZDFOSQYNNA-AABVJFSESA-N	580.581	8.301	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1cc2cc(Br)ccc2o1	408847930	WZFPLMMDUQEHOP-FXMZOFOKSA-N	536.184	6.984	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1	408852352	SQWWEPOBDOCEIY-NKFKGCMQSA-N	576.074	6.268	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl	408860346	ZHAZIRYHQBOCQU-AYDKYEQCSA-N	665.009	7.228	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(C)(=O)=O	408863094	PDTMWDBJDLNPBO-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408877726	YCXGHPLZTYNAPO-FYJGNVAPSA-N	550.409	6.443	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC	408887794	QWAAGKXRZSOTJB-OCSSWDANSA-N	592.518	6.248	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408888516	WKOXNKPUIPJOCQ-CXUHLZMHSA-N	601.797	6.964	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408890786	ZDUZDFDCXJLBCW-LQKURTRISA-N	508.983	5.342	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OC(=O)c3cccc4ccccc34)c(OC)c2)cc1	408894006	IALQWCDDXDOSHL-MUFRIFMGSA-N	533.378	5.603	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccc([N+](=O)[O-])cc1	408896070	PBBJELDGVQLQEX-WOJGMQOQSA-N	601.251	6.562	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904790	OQWYYVIWSBLYMJ-LGUSAWBASA-N	736.087	7.200	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408943284	HMBSMSTVEDRHBO-JGCGQSQUSA-N	643.165	5.957	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)OCC)cc1	408953226	XDBGMOBVXJGHES-GDLZYMKVSA-N	699.613	5.634	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3cccc(C)c3)cc2Br)c(OC)c1	408953792	MRKLXXPDHLBPDS-SUOIOASJSA-N	695.567	5.074	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)c(OC)c1	408957301	UBAVGUREYLHANG-PDQWDMBESA-N	856.306	6.124	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccc(I)cc1	408965143	GLHMSCVSXMMGAB-KVSWJAHQSA-N	655.205	5.258	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCCOCCOc3cccc(C)c3)c(Cl)c2)cc1	408970959	FFLNCJSXBZNANL-RCCKNPSSSA-N	541.431	6.331	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)c([N+](=O)[O-])c2)n1	408990275	KEDHAWKHKHREEZ-XDHOZWIPSA-N	606.645	6.217	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409019661	KCMYCBWZXJUFIW-XKJRVUDJSA-N	698.695	7.103	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409026504	QWQNCUXNKRXGNZ-PMBODDIISA-N	621.115	5.455	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OC	409037500	CUQLGHHQWZSMNC-DICXZTSXSA-N	537.357	5.288	50	40	KKGB	
N#Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccc(Cl)cc4Cl)(c4ccccc43)[C@H]2C1=O	409042926	LOWYKEPGUCHABK-VYWLJFLXSA-N	591.454	5.832	50	40	KKGB	
COc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-]	409050201	SMATZZVPSSZBKA-WGARJPEWSA-N	552.328	5.187	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OS(=O)(=O)c1ccccc1	409064027	BCYAYESKBSNLFT-LTGZKZEYSA-N	506.555	5.266	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409073028	OKMUEOMAULBHGK-YBFXNURJSA-N	586.357	5.652	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409077684	FVGMFJILGDETQO-XNTDXEJSSA-N	501.392	6.099	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl	409087350	CFHUFEDRVDEFNI-NTUHNPAUSA-N	645.613	8.130	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccccc2)cc1OC	409111368	ADQKNLCKWOSRRT-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)S(=O)(=O)c1ccc(Cl)cc1	409119829	QNHFFJFQARNOCW-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	409145745	QWICJIWBFLRRJT-NRFANRHFSA-N	640.190	5.538	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc5ccccc45)c(OCC)c3)cc2c1	409186349	ATTRWJWHNATZKM-OHUYPAJKSA-N	543.019	7.380	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1	409219971	SDOZFRVRVCDLPL-BCOAOVJESA-N	716.213	8.153	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1	409221741	AOQXCARIFJUWEM-WOJGMQOQSA-N	558.354	6.340	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409227703	VDJWTIQMTLUSBZ-VHANMLSCSA-N	592.866	7.282	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1cccc(F)c1	409244849	JOLYSSLTZPUREO-BYINCCNUSA-N	556.375	5.802	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409256562	PHZXRTPKVGOXAT-BKUYFWCQSA-N	534.012	5.927	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OCC	409313827	DGQJKJBKHCKNRX-APTWKGOFSA-N	638.502	6.983	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OC	409324184	RLXNABNWGQSCLU-ZMGVVAQMSA-N	588.488	6.279	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409361979	FASHBJUAERJYMA-WQRHYEAKSA-N	585.373	5.311	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(F)cc5)c(Cl)c4)cc3)cs2)cc1	409362147	FWCQRVGNQKZIAW-QMRORBIVSA-N	614.102	7.436	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Br)c1OCc1ccc(Br)cc1	409366602	WYQDXUSSKCZAGN-FDVSRXAVSA-N	604.295	5.653	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(I)cc(I)c2OCc2ccccc2F)c1	409367953	JPLPOOJOWVIMFP-KKMKTNMSSA-N	657.221	5.336	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1	409370945	FLCHVXXNULENSC-QNKGDIEWSA-N	546.583	6.501	50	40	KKGB	
O=C(COc1cccc2ccccc12)N/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1	409384266	CCZNMZDJENQLMF-MNDYBZJGSA-N	505.933	5.179	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386032	NKFCBHZJCTXFCI-WKULSOCRSA-N	560.429	7.068	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387363	VXTKPFIZEBWHPH-ORBVJSQLSA-N	752.155	7.668	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387375	WCEUCEWNNFLWCL-ORBVJSQLSA-N	658.155	7.984	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)cc(OC)c1OC	409394768	FQVHGVVFGDKUGG-UHFFFAOYSA-N	721.402	7.677	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)cc(OC)c1OC	409396024	VKFXMLLIZZPQHI-UHFFFAOYSA-N	786.271	8.131	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2[N+](=O)[O-])cc1	409400154	BRRYIKRFEQIBSX-KMUKQRDJSA-N	621.650	6.264	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(Br)cc1	409403903	OKOWYNTXICAOQH-ADJDCTSUSA-N	741.864	8.796	50	40	KKGB	
COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409404377	QAXWSORIIBMNGY-MBTHVWNTSA-N	522.399	5.801	50	40	KKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3cn(Cc4ccccc4)c4ccccc34)s2)cc1Cl	2670891	OIVLXEDTNNYONS-HZHRSRAPSA-N	523.061	7.244	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccn2c1C(=O)c1ccc(F)cc1	6146535	ZGRUDKGJNOZORT-OCSSWDANSA-N	560.632	5.244	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1Br	8406235	OLAWYIUNLONCCQ-QFIPXVFZSA-N	579.501	5.861	50	40	KKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@@H]1c1cc(Br)c(O)c(Br)c1	8410768	GYKJRSCELCOELP-HXUWFJFHSA-N	570.285	6.573	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccc([N+](=O)[O-])c1	9008674	AEXKCVIMZVRHNU-BUVRLJJBSA-N	509.638	5.524	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Br)cc1	59334812	UNMFKIVHCWXHCR-WQRHYEAKSA-N	504.222	5.514	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	97950467	VCYVJSFLOHURPI-NDEPHWFRSA-N	543.092	6.663	50	40	KKGB	
Cc1cccc(CSc2nnc(N3C(N)=C(C#N)[C@@]4(C(=O)Nc5ccc(C)cc54)C4=C3CC(C)(C)CC4=O)s2)c1	98007284	LAPNPRQRTABKCP-SSEXGKCCSA-N	568.728	5.494	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1	100336204	UYIARXZCIGYMDA-ODLFYWEKSA-N	558.803	6.386	50	40	KKGB	
N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1	100836890	MLQBXZUHDUMLCQ-UTDQILSNSA-N	528.848	6.712	50	40	KKGB	
CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)cc1	102809079	CZAQZILFTQOQAV-HKBQPEDESA-N	563.679	6.269	50	40	KKGB	
C/C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)=N/NC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C	103762970	YBLFDPKPNCWRAT-STBGKPCTSA-N	524.507	5.953	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1Cl	103891086	NKDLNBYEIATNAE-BKUYFWCQSA-N	552.255	8.034	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCCSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3)=C(C)N2)N1	150410281	COVXJXLYLRASJO-HEVIKAOCSA-N	700.846	7.709	50	40	KKGB	
C[C@@H](Nc1ccc(I)cc1)c1nnc(SCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)n1C	150452816	FRQWVXRJTSLTFR-RXXZHPLBSA-N	705.420	6.177	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	150490367	QMZWYYTVFSKUOE-KCSSXMTESA-N	652.571	5.169	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12	238901043	KQIHYMLPAWUVKD-PKHTVCQISA-N	503.605	7.054	50	40	KKGB	
CCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408532119	NOFJTTCXBGLOKE-LQNQUEJISA-N	563.521	7.567	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2OCC)ccc1OCc1ccccc1	408539250	URQXKOLXNGNQIZ-CVKSISIWSA-N	695.532	8.969	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc4ccccc34)cc2Br)ccc1OCc1ccccc1	408540385	RCRZNBHYPJLUAL-WBIBEUCMSA-N	674.389	8.295	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC	408551103	BDWKTCGPMQRWHC-MHWRWJLKSA-N	557.413	5.060	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1	408555907	ZUNSLTOSRFBREA-OQLLNIDSSA-N	514.821	7.338	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	408581781	ZIHVPJIOEJPSNY-VXLYETTFSA-N	559.254	6.881	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408637738	AXVFJRNNKQGMEY-BDXSIMOUSA-N	651.566	5.809	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408644675	HEZHPQXCUKQISP-PHCLWXFWSA-N	643.159	5.400	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1ccc(F)cc1	408710581	LUPIPRSSJWMNTG-CCVNUDIWSA-N	531.378	5.347	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408711863	OEQQQABGIXACGU-YSMPRRRNSA-N	512.360	5.028	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	408711874	ONRILBKJLHCYDF-MZFJOGFUSA-N	608.476	6.514	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc(I)cc1	408712109	ZTFPCUYKOGZHTK-BRJLIKDPSA-N	614.075	6.159	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3C)n2)c1	408727228	VFGJBRRHQIPIOC-QNKGDIEWSA-N	516.601	6.296	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1I	408744493	LOTDAFOGZVPQDW-ZSOIEALJSA-N	511.157	5.307	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747318	MBYVGWKUYRDXIE-BOPFTXTBSA-N	604.198	6.087	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OCc1cccc2ccccc12	408761896	MFOKLDAMWNCXTB-CVKSISIWSA-N	563.451	7.889	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Br)c1	408766819	SHMBZFQIUZGKJL-YVLHZVERSA-N	546.646	6.990	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(I)cc1	408789585	MPDBYUWKEWJAGV-ODLFYWEKSA-N	535.303	6.962	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1	408789880	SEXWZQMVBBXRHP-DEDYPNTBSA-N	566.408	6.279	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1cccc(F)c1	408791936	FNEGYBFWDZNQCR-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccccc1Cl	408792169	IZDINQLWJJURJS-UDWIEESQSA-N	643.706	7.985	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408794946	UFAXHDHFFUUYQS-YBFXNURJSA-N	618.709	7.166	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1F	408795602	MDSGBOHQNLVPIY-UDWIEESQSA-N	509.375	6.420	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1cccc(Cl)c1	408807400	CHFYXUZKVBRVTA-ZVHZXABRSA-N	650.900	7.657	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(C(=O)O)cc1	408819433	SDBIGMBYXVGYLT-ZDLGFXPLSA-N	525.330	5.420	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1	408819763	SWPCSLVKSHSACX-NDENLUEZSA-N	511.803	5.913	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408825728	BSWUVUGFHNXOQE-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408828897	MLYJJHFZFOXUEH-LPYMAVHISA-N	598.313	9.004	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408832761	IVHHWTAMJZANLZ-KYHGBAKBSA-N	629.522	5.465	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408833149	ZJALXLGCSOMANG-CHSHITCJSA-N	696.473	7.425	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	408838067	BWSMPWLICQUVCK-VTNSRFBWSA-N	606.860	6.347	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	408838785	IKNUVQKPTCSBMY-XJECJHNESA-N	611.196	8.191	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)cc1C	408841898	IOFHRHSWXAKOHC-ATZGPIRCSA-N	554.119	7.995	50	40	KKGB	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408842437	OYXVRZXQBDRUOU-STZFKDTASA-N	512.031	5.003	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)OCC	408854327	COCLXOAYWHSRNR-HWIUFGAZSA-N	521.617	5.887	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccccc1	408860922	IPASZRCMVLZDSN-FMFFXOCNSA-N	632.695	5.235	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cc(C)cc(C)c2)cc1	408873515	VDTYWPLVJJEDHR-STBIYBPSSA-N	546.605	5.126	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1Cc1ccccc1Cl	408874169	ZRCKRSKOUMMEDI-VXLYETTFSA-N	591.276	7.442	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(Cl)cc1	408887604	PGZFZYFWLIMGLS-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2c(OCc3ccccc3Cl)ccc3ccccc23)ccc1Br	408904438	JLHPMQFGDVUIHO-FDVSRXAVSA-N	522.830	7.299	50	40	KKGB	
Cc1ccc(Sc2oc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)cc2Br)cc1	408913104	KRROSXMIJZCWMR-NTFVMDSBSA-N	521.436	6.698	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc(Cl)cc1Cl	408965426	HIIQLAQNZVSIND-VPUKRXIYSA-N	551.199	6.118	50	40	KKGB	
CCc1cc(C)cc(OCCOc2c(Br)cc(/C=N/NC(=O)Nc3ccccc3)cc2OC)c1	408971329	FZRCDRPQIIWSJB-OGLMXYFKSA-N	526.431	5.942	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	408985480	XBIQSCJTRLQTPO-CXUHLZMHSA-N	521.795	5.297	50	40	KKGB	
COc1cc(/C=N/NC(N)=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408994116	GEMXEEVSQCXOEL-GEVRCRHISA-N	526.012	5.108	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(C)c1	408995417	COASSTNZBDUNKM-HNSNBQBZSA-N	556.018	6.283	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408996166	OLFMWKYKUPHCIE-YVLHZVERSA-N	625.144	7.960	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409000708	ZPZFHAMHKOMYCV-KBVAKVRCSA-N	601.413	5.901	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1	409016393	SFSVWLMPRHLGTP-NUJZUDFISA-N	530.408	5.247	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	409039118	BNAQMMNOMVIIEA-RQZCQDPDSA-N	504.167	7.307	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)c(OCc2ccc(I)cc2)c1	409063100	GWPVKTHPVGWBDP-ROPCREHHSA-N	720.406	5.730	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409077946	GMQKJDVZFFZRPJ-VCHYOVAHSA-N	651.379	7.572	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)ccc1OCc1ccccc1Cl	409113930	JOOPWEVHRRHAHL-HNSNBQBZSA-N	592.117	5.966	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2cccc(Cl)c2)cc1	409117174	QMCMFQOIVUPXLL-LGJNPRDNSA-N	526.829	5.001	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1	409149266	ZXPSJQWUWADZRT-SANMLTNESA-N	580.523	5.809	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(I)c1OCc1ccc(Cl)cc1	409178454	JTSXNPWYQXJSND-UVHMKAGCSA-N	609.804	5.603	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	409222977	FTSDXIYIWOEKJJ-LJUMEUDFSA-N	572.961	5.492	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409224219	JBIWOALMEQQPBW-YBFXNURJSA-N	554.828	5.352	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409225073	OKBBIBVDRIFNRA-HHUMFDJUSA-N	632.551	6.257	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SCCS1	409256343	NWEMOFNTQYHNAX-FOKLQQMPSA-N	589.331	5.735	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OCC	409313936	RETZAWUARPSCOU-CAQPMQTCSA-N	566.054	5.792	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1OCC	409315057	MTYVILXLWZDTBA-LPEPFOFCSA-N	600.377	7.664	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OC	409316455	XVBDNDJHSDKLTB-FDVSRXAVSA-N	526.973	5.187	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)ccc1OCc1ccccc1	409324088	RCTXHHHQAANUOK-OJYCWLPVSA-N	595.493	7.533	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1	409347268	NQLBOYWHLXCKLS-VFLNYLIXSA-N	579.264	5.891	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409352981	FUTKTQGCEXBAIY-QESWDSMOSA-N	562.258	5.373	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12	409372725	HYLUVYSFKFRISI-FDAWAROLSA-N	505.530	6.253	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)[nH]c2c1	409374414	OYNHICDMEQQWHV-APSNUPSMSA-N	547.667	8.237	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)cc1	409378268	OFFHFMRHTYJXGM-LDADJPATSA-N	536.382	5.029	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409394540	BWJCYCCQHNHQDM-UHFFFAOYSA-N	776.265	8.676	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)c1	409394871	GXEXVDZMULPYLT-UHFFFAOYSA-N	570.418	7.028	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)c1	409395923	UATYFSJWRAQZAW-UHFFFAOYSA-N	715.829	9.458	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Br)cc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396627	ZNVBJDKAXRXFHL-UHFFFAOYSA-N	705.005	8.430	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)[nH]c12	409396815	BNHLJSPQSNYMGC-UHFFFAOYSA-N	558.388	6.182	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)c(-c3ccccc3)c2c1	409397415	JPMXTLWHOMVQKJ-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398944	WTCKRULUMYCKRH-UHFFFAOYSA-N	667.343	7.905	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(C)cc1	409400854	RJXDHLBNBXNHCN-UHFFFAOYSA-N	563.654	6.926	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5cccc6ccccc56)cc4)c3C)o2)cc1	409401180	GTAVBZPTLCVESW-WJPIIEFQSA-N	662.790	9.170	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409404198	PGTDTCBNCLHLSJ-AEVGBRMKSA-N	689.994	7.772	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccccc1	409404223	PLTQGYKMWKXILH-OJYCWLPVSA-N	579.653	6.626	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc2c(c1)OCO2	409405952	VMAFAXKNTMTXTK-KWQVAVEISA-N	633.701	7.075	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)o2)cc1	409410369	VUYFBPNTKDJKDL-ZMGVVAQMSA-N	548.426	7.597	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)OCC)cc1	1529549235	WLPMEEKBGSYYGA-ZXFVVSEZSA-N	788.515	5.852	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1	1816756	GKJTUPWCDGDYMZ-CVKSISIWSA-N	508.694	6.015	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CC(C)(C)C3)cc1CN1CCCC1	2090885	GOAREVYZSASUOU-MUUNZHRXSA-N	575.551	6.303	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	3080026	HPZAFMMRMRKXBI-LAVRQYKWSA-N	577.706	5.767	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccco1	3085603	PPEGGRJZSFPCJZ-YSURURNPSA-N	556.594	5.206	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C/c3ccc(C#N)cc3)cc2)c(Br)c1	3245440	VWSUQNRTEMXBOM-UVHMKAGCSA-N	527.216	5.735	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cccc(Cl)c3Cl)Nc3c(Cl)cccc3[C@@H]2[C@@H]1Cl	8426237	PETWMMKMJJBZEY-ZHRSSXLWSA-N	540.299	8.594	50	40	KKGB	
COc1cc2c(cc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(C(C)C)cc1)oc1ccccc12	8743506	RANDFLXPBQJCDG-KBVAKVRCSA-N	500.555	5.177	50	40	KKGB	biogenic
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1cccc(C#N)c1	8812920	GOXRDIFWIIWZBO-RWPZCVJISA-N	508.372	5.071	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccc(C)cc1	28218068	NSDDTERARDPZID-LGJNPRDNSA-N	512.360	5.326	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cccc3ccccc23)cc1	59856530	WJFMUIZNLYHEIH-STKMKYKTSA-N	549.652	6.008	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCCN1CCOCC1	97946322	NLFTZGMSAFAFCM-LHLOQNFPSA-N	568.077	5.127	50	40	KKGB	
COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cc(Cl)ccc3OCc3ccccc3Cl)s2)cc1	97966384	KAVNWLKLMMCPQW-IPPBACCNSA-N	570.458	5.378	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCC(=O)N/N=C/c1ccc(Cl)cc1	97966439	VJVOYGQOUWDNHL-MWVBGNBESA-N	631.948	6.847	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	98048619	XPCUGRFSRRUJRP-SANMLTNESA-N	615.077	7.584	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(Br)cc1	100066505	ONGHYRLUWHLAGW-YUMHPJSZSA-N	540.874	5.983	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccccc2C)cc1	100123197	DLIYLACTNVICCT-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I	100132256	HOROYLHUUHWLRS-CXUHLZMHSA-N	584.195	5.623	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(O)(c1ccccc1)c1ccccc1	100197574	AKWMFWOYMMGBPX-KCSSXMTESA-N	535.478	5.792	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccs1	100394139	RYINFCLHPMQSPE-WKULSOCRSA-N	524.429	6.650	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(C)cc2)cc1	100925290	LGJQQSYKEZBXKG-MZOFLMDJSA-N	522.457	6.675	50	40	KKGB	
Cc1cc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)n(-c2ccccc2)n1	101179055	HRXXKPBJXSESIJ-ADMXQHPRSA-N	574.493	6.553	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	102278579	BKJVBWMDSBMRFB-SGHMZTNKSA-N	557.994	5.495	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[P@](=Nc1ccc(I)cc1)(c1ccccc1)N(C)C	102936846	RNSPLRLDDKHBFU-HKBQPEDESA-N	540.389	6.054	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889087	KHFNLBLXLAOXDY-YBEGLDIGSA-N	581.091	7.643	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	103890240	QKLMUVIHNMDZHP-BKUYFWCQSA-N	585.318	8.832	50	40	KKGB	
O=C(Cl)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	111882639	DYTUUAFTUFQJQV-UHFFFAOYSA-N	596.558	7.422	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(=O)c5ccccc5)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(O)C1	118914093	TZBBEXALLZOART-IRKSMWNCSA-N	533.503	5.675	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1)S(=O)(=O)c1ccccc1	150385323	WBMXOVGUCREQDQ-CHSHITCJSA-N	680.057	8.522	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	150433982	UVMDCUPFLGSTJY-KCSSXMTESA-N	643.991	6.254	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cc(Cl)ccc2OC)cc1OC	150474477	DXNRUTDBKTWOFQ-AABVJFSESA-N	680.010	6.426	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cc(Cl)ccc2OC)cc1OC	162429088	CBGWFKKDAUKBHR-MWBNBJEGSA-N	701.585	5.382	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	164320551	UJEHQDNHPPEVKN-JAIQZWGSSA-N	660.737	7.033	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Br)cc1	216044370	GYARWDXPERWHQQ-FDVSRXAVSA-N	574.313	6.499	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(I)cc1	408545369	YHMLNTRFEOPRHX-GRSHGNNSSA-N	602.812	6.166	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1	408545477	ZDWIAOCMNVIPFQ-XKZIYDEJSA-N	527.374	6.425	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc2ccccc2c1	408548493	HUWOZNTWGKQSDZ-MBTHVWNTSA-N	567.426	8.249	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408648138	JQOFMWFSDQQILI-UEXGIBASSA-N	537.802	5.321	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1	408648267	JWMJYJXGMSGANU-GYLOHHHQSA-N	763.266	6.539	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1cccc(C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)c1	408660411	LFUYQFMSFAWMHM-UHFFFAOYSA-N	530.065	5.817	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408712004	VFRUSHBOQFARRC-UVHMKAGCSA-N	613.677	6.449	50	40	KKGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408738253	QVSRTRMDNVQEHI-BBPHXPRPSA-N	551.987	5.433	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2Br)cc1	408743512	GIGFESSOWQKXLI-JAIQZWGSSA-N	540.255	6.953	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1	408744298	DVPYDFOOCCEELN-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408747313	LZNJBWMYIBTCHW-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I	408748130	YWKHTLRPZGQTBC-QPEQYQDCSA-N	634.062	5.304	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1	408752232	CJXAPOFLHHGZBD-QXUDOOCXSA-N	543.708	6.396	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I	408752961	DOYWLQHLLTVTQM-QPEQYQDCSA-N	586.021	5.374	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1OCc1ccccc1	408774169	AOVLDKGKBCVDRZ-KQWNVCNZSA-N	548.481	6.819	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccc(Br)cc1	408786039	FKDZCXKKVOHZQX-JAIQZWGSSA-N	617.281	6.804	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2I)c1	408787613	CRJIBOOONDZEMN-GIJQJNRQSA-N	654.673	6.982	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408794044	REVPVHRMKBZYKM-UDWIEESQSA-N	597.365	5.501	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(F)cc1	408795803	NDOSPEYPORWOLT-RGVLZGJSSA-N	556.375	6.180	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408809867	IAUWUOWXBGNEST-RNCBDHMLSA-N	679.988	7.704	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)c1cc2cc(Br)ccc2o1	408812277	MNPWBUPPOIUBDY-LGUSAWBASA-N	562.203	6.574	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1O	408812308	MQERKGPOHMQHNM-UYOCIXKTSA-N	561.024	5.589	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2cccc(Br)c2)cc1	408829716	PUFMQFQXQLXFQH-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC	408830358	ODBLEUZLMZXJHD-HYARGMPZSA-N	580.422	6.298	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408830857	TVWSERYPWWCMKN-ATZGPIRCSA-N	677.404	6.689	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1	408835870	YPYNCOCHSRHUSA-SEBMTOOBSA-N	721.257	5.674	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccc(Cl)cc1	408839947	BPOHPZSBQMJPPJ-VVEOGCPPSA-N	531.991	6.659	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc6ccccc6c5)c4C)cc3)cs2)cc1	408843535	LXNVUQHPSFBIQS-JEPNHJGPSA-N	555.707	8.187	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408845582	GPUHTPUDDQNXHO-QJOVZPHJSA-N	628.954	8.220	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408845756	ZGUNZPPOBPFHEZ-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	408861267	PPWIRRBNXZUQJI-KBVAKVRCSA-N	521.469	7.629	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1)c1ccccc1	408861967	VVQUNLJIWPOMPP-ZPZGRZEBSA-N	575.713	5.029	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1	408865417	CIOIPBJODOABNK-LBTISBENSA-N	619.143	5.250	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)n1-c1ccc2ccccc2c1	408872659	NPEIIRIBNFFCJO-XAZZYMPDSA-N	580.497	6.759	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OS(=O)(=O)c1ccccc1	408881363	KVOBUQFWNHQNMK-GZTJUZNOSA-N	653.292	5.766	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(C)cc1	408888139	SRWXWRCWDGSCTC-VXLYETTFSA-N	526.376	6.733	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCC	408892248	ACZLTZZXLABDPJ-RIYZIHGNSA-N	587.106	6.626	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408897382	RVMGQMNXQZSFHR-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1	408900367	VILVEALMMXEVQL-MZJWZYIUSA-N	512.056	6.170	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1C	408924894	PJKNEWHBYXSBFN-VXLYETTFSA-N	607.275	7.430	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccc(C(=O)OCC)cc1	408943149	HCLOUPWQZROUOS-GDLZYMKVSA-N	744.064	5.743	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(OC)c1	408953590	MDWXQXXOEVWCIV-PGELQFCNSA-N	720.404	6.064	50	40	KKGB	
CC(C)(C)c1ccc(OCCOc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1	408972809	VTYBKHPZLLGNBR-HAVVHWLPSA-N	533.466	6.428	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc3[nH]c4ccccc4c3c2)c2ccccc2)cc1	408980714	SOZVNLJECGISPJ-KPPCDNTDSA-N	510.619	5.190	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408999188	PPEDCKFBSVOKNL-QXNHYZTASA-N	520.677	6.403	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1cccc(C(=O)O)c1	409009980	AUHNRUZISHMWIJ-KBKYJPHKSA-N	606.214	5.670	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1	409016097	UNWPUUYBOGSNPF-LDYQWVAVSA-N	649.703	6.869	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409025709	ZGNSZDYJBCTGCH-FADJLKOXSA-N	647.750	5.426	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409027142	ASBRYDAVRBRFBT-FABQOPTDSA-N	659.592	6.162	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	409030330	FKHKXFJLFBPMCI-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)c3cccc(C)c3)cc2)cc1	409030461	DJZVCEDYQKISJG-KNTRCKAVSA-N	533.584	5.249	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409031453	ATLVCPAEEYSATA-RWPZCVJISA-N	598.466	6.330	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1	409047232	NSFRWGBLRGZYCR-RGVLZGJSSA-N	596.706	8.143	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1	409053850	DBKYPKQDPVQAAQ-WOJGMQOQSA-N	510.377	5.955	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OS(=O)(=O)c1ccccc1	409075842	URLCZQXPTDVOOA-DEDYPNTBSA-N	555.450	5.778	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C	409083745	LNZMXFVHUQGUIY-LZYBPNLTSA-N	616.222	6.983	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c1	409122005	YBNYEFIGIKFFSA-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409130130	IJUHAJLQTGHCPU-XMMPIXPASA-N	560.909	6.608	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1cccc(Cl)c1	409146208	RQYUDIXHCSYMBO-QHCPKHFHSA-N	574.802	5.846	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1Cl	409170994	YBCVMVVFYNMUTF-IPBVOBEMSA-N	554.217	5.407	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	409184042	HXICTUNDMPMBFJ-HWLOXFRGSA-N	648.741	5.872	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409201539	MCLOEQGTYUMFHD-YVLHZVERSA-N	526.318	5.587	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1	409219416	QHLYLKQGVKBDLN-CAQPMQTCSA-N	586.988	5.421	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	409219799	UXJAHOACDZUEOS-MHWRWJLKSA-N	500.769	6.210	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)c2)ccc1OC(C)=O	409220250	ZZAQISSRFVNTRQ-UHFFFAOYSA-N	565.582	5.164	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1cccc2ccccc12	409221258	NPFDFGOHBVNIFV-ONUIUJJFSA-N	555.472	6.846	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409232474	IILSCYIRNCKTQM-QRAWFLTRSA-N	549.421	5.909	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(C)cc1	409241494	XXIYVYBEYZANFT-DEYGKZMTSA-N	566.439	6.362	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccc(Br)cc1	409244120	YBHCYKIQPTYZKA-MUXKCCDJSA-N	564.249	6.021	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409249867	IWVZCXNPWZLQDM-JAIQZWGSSA-N	626.891	6.159	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409252056	RRKAQWBTYMZAOF-AEUUOICLSA-N	626.138	7.306	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(C)c1	409252067	RWWYVGUCHZNYQT-VCHYOVAHSA-N	617.725	7.045	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409255145	ZHBHAOQUPBVQPL-WOJGMQOQSA-N	603.800	6.333	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1C	409255963	MUJWFTBDEDDLJO-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1	409260829	XFFRXLGMPKKAIO-YVLHZVERSA-N	514.796	6.518	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	409261130	AGDGVLWNQAKYMO-RPPGKUMJSA-N	593.228	5.480	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409265732	OHTYJNPZXPRERQ-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2F)cc1OCC	409317426	PVYPKGRYAMCPAY-MBTHVWNTSA-N	515.379	5.729	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)ccc1OCc1ccccc1	409323109	NGHREDUEQCGQAV-DLCNMLRHSA-N	567.444	7.453	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(OC)cc1	409371438	WNGHKUWWTSRVHH-UYRXBGFRSA-N	505.958	5.310	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Br)cc4)c(I)c3)[nH]c2c1	409372510	DUSFOUNYCYLIBI-WQRHYEAKSA-N	570.228	6.882	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409379430	XKLBCKMXLZUYQF-VFLNYLIXSA-N	551.268	6.296	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccccc1Cl	409394712	DZJHXDXKGATFEI-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(OC)c3)[nH]c12	409394999	IPGDGPJQZJSBEA-UHFFFAOYSA-N	630.926	7.805	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395792	RUVNQRZKECZEAH-UHFFFAOYSA-N	765.629	9.211	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396133	CKEOYQDMKFHHLO-UHFFFAOYSA-N	621.646	6.159	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396812	BMLKIBXOQYXORX-UHFFFAOYSA-N	647.869	7.151	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409397053	FPULMPADQHQKKD-UHFFFAOYSA-N	659.480	6.830	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccccc1Cl	409397097	GCGLSNJTFFMJME-UHFFFAOYSA-N	578.455	8.278	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409397646	MGNBSKZERSVSKE-UHFFFAOYSA-N	596.039	6.714	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	1438107	QZDVZXIEAUGERQ-RUZDIDTESA-N	535.094	6.417	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	1767597	KZPWZQOSNJFRTP-XNTDXEJSSA-N	559.272	7.609	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1	2670778	QXDMBSZOPMHDEP-MHWRWJLKSA-N	514.821	7.500	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(OCC)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	3666033	DTEDMOALVBUZPH-RUZDIDTESA-N	545.705	6.143	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	4196315	DCTNLRPKKDKVCF-RGVLZGJSSA-N	556.254	6.023	50	40	KKGB	
O=C(CN1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@@H]1c1ccccc1)N/N=C/c1ccco1	8434980	PMNQVPHCHGGBJR-CMNDVVQPSA-N	594.469	5.852	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2	8439791	OCSLPEYDLIZGON-VPUKRXIYSA-N	618.815	5.196	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)n1CCC(C)C	12542854	TYTKDOKAAMAICZ-HZHRSRAPSA-N	520.029	6.686	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926208	NSIYBXXAKARCAY-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1nnc(N2CCOCC2)n1-c1ccccc1	33476204	MPVBZCORBMMIAO-UZYVYHOESA-N	505.607	5.082	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2ccccc2c1	59336289	VQMXGVFMMHPEQF-UCQKPKSFSA-N	517.412	7.670	50	40	KKGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1	83301554	KNTVJAVIWSTXHT-ZUICHYAESA-N	506.342	5.524	50	40	KKGB	
CCCCCCCCCCCCCCCCCCOC(=O)Cc1ccc(N(CCCl)CCCl)cc1	95861776	XHDQZPFSXMCVDF-UHFFFAOYSA-N	528.649	9.318	50	40	KKGB	
CCCOc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC	97972318	YDYSHXBAYWICJI-LQNQUEJISA-N	578.518	5.522	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3CC)NC(C)=C2C(=O)Nc2ccccc2)cc1	97999390	NPOUFNLESMRPJF-SSEXGKCCSA-N	552.700	6.354	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccccc1I	100063113	TZXVVUXWSJJLHA-ZMOGYAJESA-N	536.211	5.154	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126484	IDSWKSZLYOKBDK-KBVAKVRCSA-N	536.604	5.026	50	40	KKGB	
N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1F	100210198	PWICPFBBYFJJKP-HXUWFJFHSA-N	550.457	5.412	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	100398128	CDTMDJSSINODDO-DPNNOFEESA-N	625.534	5.352	50	40	KKGB	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)cc1	100938677	NYFWLIRHFUAYGL-MTDXEUNCSA-N	530.649	8.041	50	40	KKGB	
Cc1ccc(-c2cc3c(c([P+](c4ccccc4)(c4ccccc4)c4ccccc4)c2O)[n+]([O-])c2ccccc2[n+]3[O-])cc1C	101459539	MUCXBOSHFXHJGQ-UHFFFAOYSA-O	593.643	5.869	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1F	102719275	IVSNFGMBIIYXHY-NDEPHWFRSA-N	577.081	6.503	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc2ccccc2c1	103842670	XHAWJBXTKDSHBL-YUMHPJSZSA-N	550.058	7.218	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1	103885572	MRPFPFMIPOXFHA-AUWJEWJLSA-N	545.602	5.281	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)cc1	103902915	FJRLNVADUCRBST-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)c1	104026515	AIGLPTSFEHXFOV-WJOKGBTCSA-N	563.679	7.109	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	104953827	SAZJSTNPDRPJCD-CXUHLZMHSA-N	520.185	7.020	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)c(C(=O)OCC)c1C	107836342	YGOHWMHAUVVJFV-FYJGNVAPSA-N	565.619	5.855	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cccc(C#N)c1	108082267	PQORCKJPPKFLQX-OCKHKDLRSA-N	573.082	7.489	50	40	KKGB	
O=C(N/N=C\c1cc(I)cc(I)c1O)c1cc(-c2ccccc2)nc2ccccc12	150383708	RFMDYQYSYQLAHC-ZMFRSBBQSA-N	619.200	5.581	50	40	KKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](NNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccccc1	150385098	NQTSODJXUGUDMC-UMSFTDKQSA-N	661.824	8.083	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc([N+](=O)[O-])cc1)=N/NC(=O)c1cc(Cl)ccc1C(=O)c1ccccc1	150449752	SCQMCFDGEKDVMK-OWBXABLNSA-N	647.095	7.297	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1cccc2ccccc12	216044709	PVWZZDOWOZLWKE-CAQPMQTCSA-N	545.477	6.890	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccccc1I	408527884	GQXIHIUTTXQQNR-PDGQHHTCSA-N	503.181	6.525	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(Br)cc1	408532102	POWHVPOKEBKTRZ-APSNUPSMSA-N	710.962	8.608	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccccc1C#N	408569025	MAYBSVRORDWRDH-FJEPWZHXSA-N	645.544	5.758	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(Cl)cc1	408570142	RYHRVWDGVKGPOF-MUFRIFMGSA-N	543.110	6.325	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc(Br)c1OCc1c(F)cccc1Cl	408611741	RZNCVQRBMANYBC-KVSWJAHQSA-N	548.796	5.226	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2Br)cc1	408676406	IJZYREHSCGQZRA-WKULSOCRSA-N	601.295	5.853	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408724618	CKDGHLLXUSMPRP-OCKHKDLRSA-N	607.275	7.348	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408726379	LYKSCGRSTKIGPU-WEMUVCOSSA-N	540.645	5.059	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)ccc1I	408746719	GETDJARMDQDJIR-LUOAPIJWSA-N	678.546	6.821	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)c1	408759694	JVCVJEXIQCISDU-LDADJPATSA-N	510.377	5.955	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Br)c1	408761175	CPSPPQSBTAMSTD-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)C(C)C)cc1	408761337	IOXJNVFNGPDVTM-OLDVOZSVSA-N	529.662	5.180	50	40	KKGB	
COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)sc2c1CCCC2	408780988	PFGNRSIFLAOOLU-UYRXBGFRSA-N	508.043	6.329	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCC(=O)O)c(Br)c1	408796647	PKEASIINMBCURC-UUILKARUSA-N	528.584	5.183	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1C#N	408797281	QQIQSLPHSQKXJM-CIAFOILYSA-N	549.368	5.686	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408798113	UVGDCZWRGCRPCA-CXUHLZMHSA-N	766.542	7.278	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1	408815259	PVHJIMPCSKARCY-FRKPEAEDSA-N	522.215	7.433	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)o2)cc1	408826668	KKOCPHPLKKTALS-ITYLOYPMSA-N	539.657	6.142	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)COc3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408828898	WJPILQTVVIHEFG-WCMJOSRZSA-N	586.497	5.815	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1OC	408837386	DNSUVAIWKXHIRU-WVKHYPTHSA-N	765.310	5.991	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C)c1OCc1ccc(Cl)cc1	408850288	KJOUIFOZHSWPQS-YNFMAFFXSA-N	519.907	6.156	50	40	KKGB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1	408853646	VVXZCYVQJGLHJQ-MZFJOGFUSA-N	503.558	6.483	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1cccc(C)c1	408858577	UDRGHNHIXSCTBL-YBFXNURJSA-N	542.348	5.872	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cc2cc(Br)ccc2o1	408858967	USGWSDXSOHNVFN-BCHBDCPOSA-N	563.191	6.753	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408860710	CJRSLBFUFDVHIJ-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408861526	BOKOEBQGFGZAGS-KEIPNQJHSA-N	609.535	6.290	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408862314	IPXJUNRKIYVLCS-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408870001	UTYYHWUQRYMSDY-CAOOACKPSA-N	614.245	8.298	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1Br	408882300	OLWPKRAKHLVQNX-WOJGMQOQSA-N	590.699	7.388	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	408883109	SUDCJUNBJFTETD-MHWRWJLKSA-N	556.756	5.784	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC(=O)c1ccccc1	408884330	YLTMYKWELJDYAQ-FMFFXOCNSA-N	530.665	6.298	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408887592	PDWYCPNWBSHCFP-LDADJPATSA-N	620.319	6.232	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Br)c(OC)c2)cc1	408888211	TYKZMKIYSGRUPT-XDHOZWIPSA-N	586.280	6.744	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408890896	IDAGBDKRSSIGPM-DEDYPNTBSA-N	555.450	5.778	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]12	408957197	SSXVUQFKNBRYGL-BIPYPGJYSA-N	576.052	5.624	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(C(=O)O)c1	408965080	GBCOXQXEWBXMMZ-VVEOGCPPSA-N	565.342	5.908	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408967142	SNSKOHIQIKAJDN-BRJLIKDPSA-N	586.298	5.197	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408979530	MQBBZIMLMHASHJ-OFGWUUMASA-N	532.424	5.814	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc2ccccc2c1	408989792	MCPOFNZOWHUZGF-YUMHPJSZSA-N	523.032	7.663	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)ccc1OC(=O)/C=C/c1ccccc1	409001412	IGTQCEBJZBKLFB-FKMYQIPNSA-N	559.622	6.120	50	40	KKGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	409003730	ULYLSHVZELYLMT-SANMLTNESA-N	597.478	5.050	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl	409031244	JQWNIXRMQSLUMQ-HQDYHJHZSA-N	556.449	7.560	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OCc1ccccc1	409044860	DTNNTIMELYQJNV-UVHMKAGCSA-N	594.247	5.204	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)c1cc([N+](=O)[O-])ccc1O	409054854	GXIZMKXPSCZUFT-QYIUXVRUSA-N	627.440	5.574	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1	409066932	DQRFYHRTRYCQBF-XMHGGMMESA-N	526.998	5.451	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409067394	CTMTZNPYSPPZPP-KOEQRZSOSA-N	530.646	6.052	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)c1C#N	409084769	WBVKCKOVJUBCQN-KALUYTGESA-N	549.834	5.097	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409086697	RNMILXWEXOEMMB-CPNJWEJPSA-N	530.493	5.587	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	409120923	UOZQYFCJBHTAEK-KCSSXMTESA-N	594.089	5.739	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(I)c1OCC(=O)Nc1ccc(Br)cc1	409169596	QCMSCIXVNPBKMI-FJEPWZHXSA-N	693.336	5.121	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1ccc(Cl)cc1	409188752	AFGMATXNINXDDB-KBKYJPHKSA-N	742.520	6.497	50	40	KKGB	
CC(C)(C)c1ccc(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)cc1	409197198	YGYPCIKLOKMCIQ-HAVVHWLPSA-N	521.617	5.970	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc(C)c1	409228521	BCYFKBUCXOGQAY-JAIQZWGSSA-N	559.382	7.300	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)[C@@H](O)c1ccccc1	409248960	GECOLLOZEKYODZ-VYORJIDISA-N	587.095	6.281	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl	409252888	AATDCQRZLPTWEZ-LICLKQGHSA-N	540.801	5.680	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)c(C)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409317517	UTQGLCFJEZBDAR-NHCUHLMSSA-N	627.344	5.573	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)cc1OC	409321456	GLKWVGLNRKPOIH-FXMZOFOKSA-N	617.121	6.879	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409325123	XFOVZEXAIJLHTO-KMUKQRDJSA-N	646.538	6.525	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC=C)c(Br)c2)cc1OC	409331432	FOEPJYJJRXSLIM-CFRMEGHHSA-N	524.209	5.114	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1	409368291	WXLUEDHVUKTHBC-ZMFRSBBQSA-N	555.281	5.097	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409372391	XBEUKYAWJHIIIS-LSCVHKIXSA-N	510.300	5.917	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(C)cc1	409373770	UUSIHDHCBZPKRJ-KBVAKVRCSA-N	547.449	6.661	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc2ccccc2c1	409386000	NDDFVAPHAVCQBF-FJEPWZHXSA-N	590.455	7.077	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc(Br)cc3)[nH]c2c1	409393436	XFQKDMQOTNIHOQ-YVLHZVERSA-N	539.227	6.740	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(F)cc1	409403442	MYRPZHBDOQSQMP-ADJDCTSUSA-N	725.409	8.282	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC#N)c([N+](=O)[O-])c3)o2)cc1	409404558	QGDZEGUCOZCOHL-MNDYBZJGSA-N	592.406	5.603	50	40	KKGB	
CC[C@@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1OC	1531386415	KPEBZPFODWTHFT-MFNYRUALSA-N	515.610	6.216	50	40	KKGB	
O=C(CCCCCOCC(=O)OCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)OCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12	2061000661	HCCBQFXQUMHHCK-UHFFFAOYSA-N	762.769	6.895	50	40	KKGB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(N)=C(C#N)C(C(F)(F)F)(C(F)(F)F)C4=C3CCCC4)cc2)n1	1273708	HZGSXIRQXYGRRF-UHFFFAOYSA-N	572.535	5.347	50	40	KKGB	
Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1	1790653	LOOQDFPMLDPKQA-YDYXIROLSA-N	508.430	6.367	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1	1889045	XFAUZDZIFRJDTQ-AZJLSSPBSA-N	516.381	5.468	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1cccc(Br)c1	2596732	AKYLROYXZKIGSS-MZJWZYIUSA-N	553.507	5.331	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1cc(Br)ccc1F	2604009	ULTBZVWZYXQSGL-UVHMKAGCSA-N	550.885	6.248	50	40	KKGB	
CC(C)(C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc(-c4cccc(Cl)c4)o3)c3ccccc3n2)cc1	2762508	IFRSAQJDFJLTSJ-HNSNBQBZSA-N	508.021	7.877	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2ccc(Cl)cc2)c1Br	3059787	WEISTGSCVNDNSD-NUGSKGIGSA-N	502.634	5.826	50	40	KKGB	
N#CC1=C(SCc2ccccc2)N[C@@](OC(=O)c2ccccc2)(c2ccccc2)C[C@@H]1c1ccccc1Cl	3670797	VGRKCIHVRJNNFH-ZUKKLESISA-N	537.084	7.795	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196249	QQTSUDACUPTTDO-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
O=[N+]([O-])c1cccc(N[C@H](c2ccc(N(CCCl)CCCl)cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c1	5389769	ISRWDFHEPRJBBM-LJAQVGFWSA-N	600.439	8.341	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1	6141602	TVZANOQGWVRDGZ-RDRPBHBLSA-N	557.657	5.174	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1cccc(F)c1	8809612	FUNNWIYWUJUZNX-QFIPXVFZSA-N	518.595	5.238	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	9259708	XAXXTJXOABBRPQ-HZHRSRAPSA-N	513.550	5.855	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2cc(C)n(-c3cc(C(=O)OC)cc(C(=O)OC)c3)c2C)cc1	12559153	AEUWMIXQJUIVPA-ZVHZXABRSA-N	513.594	5.303	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C	28217132	QSFCYGYHCGRIDE-NSAYQLMESA-N	522.674	5.941	50	40	KKGB	
CCCCCC(/C=N\NC(=O)CCCC(=O)N/N=C/C(=C/c1ccccc1)CCCCC)=C/c1ccccc1	31670055	YQOPSLWEKCUJDY-ZXJNVONUSA-N	528.741	7.689	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(CSCc2ccccc2)cc1	58928036	GXYXGAZDDIXAGI-FDAWAROLSA-N	501.051	7.116	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(OC2CSC2)c1	59646828	GACZQGWYSAMIGW-VVEOGCPPSA-N	584.041	5.199	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Br)cc3)nnc2-c2ccccc2)cc1	97959493	KFZYXLNXWYKKSH-VEILYXNESA-N	550.482	5.728	50	40	KKGB	
CCC[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C1\C(=O)N(CCOc2ccc(C)cc2)c2ccccc21	97965287	ROAMLPVPXUHDOD-YVARBQMLSA-N	550.453	5.251	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(Cl)cc2Cl)cc1	98002521	PUUWLGFCJHMYIE-ATZGPIRCSA-N	616.954	6.880	50	40	KKGB	
Cn1nnnc1SCc1csc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c1	98007419	QMZXEQZJVORDSX-OAQYLSRUSA-N	538.102	5.158	50	40	KKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1	98048478	AVBLUUNYORGFAU-NDEPHWFRSA-N	544.120	7.481	50	40	KKGB	
O=C(N/N=C\c1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2)cc1)Nc1ccccc1	100536602	OZKLUQOFQLAQCL-AEUFGBGTSA-N	594.628	5.155	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1OCc1ccc(Br)cc1	102230219	HOKMYNWTNYOHOZ-BOPFTXTBSA-N	542.773	6.144	50	40	KKGB	
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)[C@H](C)Oc1cc(Cl)ccc1Cl	102378032	LWGQVOYJSVNGMT-ZDUSSCGKSA-N	538.478	5.684	50	40	KKGB	
C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](C(=O)O)N2	102713228	CNUOJWXPQWZPJF-NKOZUFSPSA-N	530.046	5.360	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1	103845866	MURQNHZPUCHAOC-FOKLQQMPSA-N	520.181	5.291	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccc(Br)cc1	103857851	RVZTZXQDDBZZFL-FOKLQQMPSA-N	524.234	5.625	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1	103872552	IEEULOXIGIUYRD-KCSSXMTESA-N	540.689	6.368	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(I)cc1	103886412	SBIOHJUMBHHCBM-SXGWCWSVSA-N	555.210	5.027	50	40	KKGB	
C[C@@H](Cl)CN(Cc1c(O)c(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)c2ccccc12)C[C@@H](C)Cl	104049483	UMMNLWKIUMARBO-BRSBDYLESA-N	524.360	6.364	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1	104203349	IXRVXSBNRJUWDF-BVMLUPFRSA-N	605.290	6.142	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OP(=O)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	118923693	IBWCMFBZOKGJGP-PMPHBUNRSA-N	586.841	10.342	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](Oc5ccccc5)CC[C@H]4[C@@H]3C[C@H](Br)[C@]2(O)C1	118927537	ITFRLFYVHXDNCR-YJSQWXHVSA-N	505.493	5.897	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	150653702	LSPLJCUQNHIKSG-KBKYJPHKSA-N	691.647	5.809	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	164578266	FAQPYUFDJGCEGP-LGJNPRDNSA-N	624.229	5.704	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408541254	FPRKTMRYFCZGCH-UQQQWYQISA-N	544.051	6.408	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552182	HWEZWWFKOHOARI-VIZOYTHASA-N	643.243	7.346	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccc(Cl)cc1Cl	408722220	FIXUAPOJMPYWGY-HBKHLPLRSA-N	566.444	5.960	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408725236	IUCAHYQEBGUNRT-RGVLZGJSSA-N	522.355	5.168	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2-c2ccc(-c3ccccc3)cc2)cc1	408726011	RIOFMDNGCWGNFZ-AJBULDERSA-N	501.546	6.187	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccc(Cl)cc1	408726980	XHTWSZZTKRIFJV-BKUYFWCQSA-N	586.857	7.030	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)c1	408743585	BGLBNMGGDLKBMN-GRSHGNNSSA-N	572.374	5.962	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	408746338	YMZJROZZUDBEJR-GRSHGNNSSA-N	570.237	6.343	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cc(C)n(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2C)C(C)C)cc1	408754122	DNWHUTFAZNXCNJ-XYSCNYCTSA-N	671.698	6.575	50	40	KKGB	
N#C/C(=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408762431	KQTNKNFPVMAYFE-MOSHPQCFSA-N	523.397	6.460	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)ccc1I	408783810	NFDVJPAVXFIEJJ-OPEKNORGSA-N	526.205	6.078	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccccc1F	408794031	HFFFSBYGJBFOPL-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cccc(F)c1	408794085	HKYCBLKGQNOBNM-SRZZPIQSSA-N	523.402	6.728	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1cccc(Cl)c1	408799893	JCVXFELOLIPMGE-MFKUBSTISA-N	617.927	8.205	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)cc2)c1C	408802602	ZHOUMURRQYRIOM-CPNJWEJPSA-N	511.363	5.561	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1Cl	408808862	FUEXCRQGPHVNGF-FDVSRXAVSA-N	523.814	6.920	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(C)c(C)c1	408811919	OSZAPWNFWOZFNT-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408814409	FTIGSWMTXPCAFJ-XLNRJJMWSA-N	517.658	7.227	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1cccc(Cl)c1	408824087	GXHQNTDTJVUUDX-SSDVNMTOSA-N	719.790	8.964	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408830642	SJBOBLJOXGGNFW-KULFSUQXSA-N	631.120	7.037	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839615	URRXURPNWGHBCG-AABVJFSESA-N	699.401	8.808	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408839738	VZVDXGWBQUZYHJ-IZYHBKOJSA-N	676.036	9.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408842326	JAUHDZNOPPOPFG-XJECJHNESA-N	707.006	8.619	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408843467	MWIKZBCYJJBPHA-XAZZYMPDSA-N	589.437	6.940	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCc1cccnc1	408854914	KSPUMNSDBYPAJC-HMAPJEAMSA-N	581.481	5.596	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408857822	QDIZIRHOCMSAFB-KWQVAVEISA-N	724.426	9.106	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408863725	OYJORWINZPXWHK-DPNNOFEESA-N	656.986	6.420	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408865165	BFPFOIUNHKWGSN-SJIPFTAOSA-N	555.487	5.300	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c(OC)c1	408867281	KGIHWKGMXSHKLN-CIAFOILYSA-N	500.624	5.147	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cc(C)cc(C)c1	408878757	ASGLKWSOKDNAOI-KEBDBYFISA-N	559.382	7.218	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408881414	LEWIRUUYQRAQGD-OVCLIPMQSA-N	587.770	6.656	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(F)cc1	408891499	RMKRTDRDUOOGBH-WOJGMQOQSA-N	528.321	5.564	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	408894125	JGPRANCAQNCXCH-AMVVHIIESA-N	572.242	6.901	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1	408899176	NVVVVYLBFVNDMG-XMHGGMMESA-N	508.315	5.365	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Br)cc1	408923018	IIVMUWBXRAHCKX-LGJNPRDNSA-N	548.231	5.572	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OCc1ccc(Br)cc1	408925522	RUSUPLGZPJWOTM-LDADJPATSA-N	538.354	5.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)c(OC)c1	408958242	XZGMFHAFXVCVOL-MMGYZVBGSA-N	740.564	5.064	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3F)c(OCC)c2)c(OC)c1	408958366	YCXFXNBSHYNOPI-CJPARAFHSA-N	760.557	5.137	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408977821	FTQDMTMGHURMGX-KWAQJPELSA-N	602.669	5.051	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2I)cc1	408981831	CVBJXCPMSQEYCU-NDENLUEZSA-N	542.804	6.686	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)ccc1OC(=O)c1ccccc1	409001098	GSQWDOOLFPOXBL-ZJXQYNNNSA-N	533.584	5.720	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1cc2cc(Br)cc(I)c2o1	409009265	CPNSTJVXRFUHRT-AERZKKPOSA-N	736.867	5.479	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc2c(c1)OCO2	409013474	KMFUALKSJYYCHG-DVXQZILNSA-N	623.706	5.266	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)ccc1OCC(=O)Nc1ccccc1OC	409014431	PRMLVUKNQXPOSJ-XODNFHPESA-N	621.282	5.106	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409039250	WSQYFMBXDBJTOZ-OHUYPAJKSA-N	615.325	7.770	50	40	KKGB	
N#Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2I)cc1	409040278	YCSPNTVGIQMCPK-MWBNBJEGSA-N	734.335	7.326	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1cccc(F)c1	409045547	PYDQOQHKGQTMIV-KMUKQRDJSA-N	598.472	7.545	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409048933	XTHKFBUSIWPQTM-NKHVPTTDSA-N	684.215	9.077	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409050268	TVUNSJHLISTXNS-FZPRHHONSA-N	627.438	6.578	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)c1cc([N+](=O)[O-])ccc1O	409054841	GXIZMKXPSCZUFT-BUOGAELFSA-N	627.440	5.574	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409069928	BPZNDZDEIQIBFF-HMMYKYKNSA-N	539.009	5.486	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(Br)cc1OCc1cccc2ccccc12	409077556	FIDMGEKMPRPHGD-WBIBEUCMSA-N	620.503	6.808	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409078102	HNKFUSVGVMFFHS-VGOFMYFVSA-N	607.295	6.631	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409150009	YASOZUZJMCWJMW-IPBVOBEMSA-N	699.541	7.128	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1	409162174	SMNRYRDEKOWARK-BIZUNTBRSA-N	606.542	5.678	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409217550	DEMIOPWKOADNOV-ACXHZZMFSA-N	621.831	6.246	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409227433	YOGKUSKEZICBPD-ZENLUQPUSA-N	518.740	5.938	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)c(Cl)c1	409249332	NIDQLTPNKXGTQZ-KBKYJPHKSA-N	505.427	5.230	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409261356	APYOMZXPSGWAGO-UDWIEESQSA-N	521.976	6.058	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409269426	JGYWWSGPJANHLW-CXUHLZMHSA-N	591.643	6.855	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc(F)cc1	409318397	VGQSKQASDUPCQI-APTWKGOFSA-N	528.580	6.155	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409327496	UQMCKPPQEBEKTB-LEWJYISDSA-N	582.893	5.464	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(Br)c1OCc1ccccc1Cl	409391060	HGVKCFPVAPGIAR-UVHMKAGCSA-N	533.806	5.558	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc5ccccc5c4)c(I)c3)[nH]c2c1	409391903	MAAPYZBRBSUDIK-UUYOSTAYSA-N	557.391	6.972	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)cc1OCC	409394606	CSQVMTKHJIRXJV-UHFFFAOYSA-N	774.293	9.447	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C(F)(F)F)c4)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409396151	DAJXSUQDGHMRAE-UHFFFAOYSA-N	650.053	8.288	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396372	ODXXRBBRISLJTL-UHFFFAOYSA-N	639.552	8.254	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)cc1	409396933	DCNTXLKTXXVKLW-UHFFFAOYSA-N	525.967	6.919	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397112	GIYDRAVPAKDTIR-UHFFFAOYSA-N	541.966	6.619	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(C)=O	409398102	QMUYSRBGYSNRDF-UHFFFAOYSA-N	577.593	5.761	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OC(C)C	409401590	HPHWTLDLNCKFAQ-LJUMEUDFSA-N	560.607	6.124	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(C(=O)O)cc1	409402835	LFHWTRZGNSKRBM-UHFFFAOYSA-N	672.532	7.078	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	1529544410	CZTZKZWOOOUYIE-LIICTPKDSA-N	810.452	5.360	50	40	KKGB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21C(C#N)=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C1C(=O)CC(C)(C)C2	1421940	WVBQVAAGSQJLQL-AREMUKBSSA-N	526.946	5.714	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)ccc1O	2096850	NWRASKJSHMMCBM-AMBXXVILSA-N	552.660	5.378	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	2670819	PKZHPUHMHRYPBX-FYJGNVAPSA-N	543.479	7.589	50	40	KKGB	
CC[C@@H](C)c1ccc(OCCn2cc(/C=N/NC(=O)CSc3nnc(C)s3)c3ccccc32)cc1	4082516	HJBYJERZLJQOFQ-UBXTYJAUSA-N	507.685	5.636	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)c1C	4091466	NXBPXNPKIRNESU-PXLXIMEGSA-N	532.044	7.254	50	40	KKGB	
O=C(N/N=C/c1cccnc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1	8427073	DAJIBCDHZVKKKH-HPNXWYHWSA-N	543.623	6.583	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	9305814	AMRAXQDZONUTNB-XPPWVDLZSA-N	510.997	5.142	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl	14923269	IOKHPYSMJDVKKI-ZAARJVOSSA-N	512.791	5.032	50	40	KKGB	
C(=C\c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCCCCC2)o1)\c1ccccc1	33353127	GEQDPQAYQGOZRY-QPLCGJKRSA-N	529.644	6.845	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2ccccc2c1	96585843	VSWFDBRDWMBPPW-USHMODERSA-N	503.602	5.683	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	97959380	NWBVUVUAWRJNEX-SHCJNDJLSA-N	722.363	5.491	50	40	KKGB	
COC(=O)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	97959530	VOAINIHVEXCRSP-MNBJERMJSA-N	541.677	5.569	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1	97964105	DPCCKCWFNMNTDM-WPWMEQJKSA-N	534.520	5.220	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)N1	97999513	SKBJEMLULWWIIA-MHZLTWQESA-N	563.510	7.008	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Br)ccc3N[C@H]2c2ccccc2F)[C@@H]1Cl	102070541	ZGQBLUUGPANQGY-ZDJAMIHNSA-N	533.850	7.535	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(=O)c1cccc(F)c1	102078446	YYFGLKZHZSRNOA-CXUHLZMHSA-N	518.850	6.271	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(O)CC(C)(C)CC2=N1	102607068	XLRTZTJDBAYWJJ-SANMLTNESA-N	515.679	6.843	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	103894963	FMXNJVFEFGIILZ-JEPNHJGPSA-N	618.542	7.071	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	103898881	BDJGBJZQLWWYDX-XPGZBYHPSA-N	579.144	7.201	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Br)cc1	164709444	VLUAYSGLNGHPIU-MTJSOVHGSA-N	631.308	7.194	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795276	RDVHFMGVXDYUBV-OLQVQODUSA-N	874.020	10.361	50	40	KKGB	
O=[N+]([O-])c1ccc(-c2cc3ccccc3c3c2OP(O)(=S)Oc2c(-c4ccc([N+](=O)[O-])cc4)cc4ccccc4c2-3)cc1	169809273	MZEZBGUBZWJVKJ-UHFFFAOYSA-N	606.552	8.798	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408539218	FYXIKXRHKFNKOT-CLHYIUPASA-N	592.614	7.425	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc2ccccc2c1	408555088	VKBJYBAQFFVGAI-ZVHZXABRSA-N	659.549	7.780	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408569745	PUAZPLJFJCYUGL-ALQBTCKLSA-N	630.861	7.294	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408570363	UIFVNEFWTVEXJW-FJEPWZHXSA-N	669.006	6.930	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc2ccccc2c1	408599543	WADQCEBSABAGBI-VVEOGCPPSA-N	701.129	7.699	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408612429	YJFLUYJXOOLSPV-QGZVFWFLSA-N	548.854	6.121	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408677558	RUTUPRXMKDRVHX-RWPZCVJISA-N	557.832	5.954	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)cc1	408712091	ZDFNQMGJBYETNA-LQKURTRISA-N	537.401	5.386	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1I	408746758	GRJNTLCUPIJFSI-MSXFZWOLSA-N	507.759	5.125	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408747782	SXAFMWOBSFLWDD-SXGWCWSVSA-N	611.117	7.652	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OCc1cccc2ccccc12	408749524	QGGHOQOZWHJTTN-WKULSOCRSA-N	662.265	6.401	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	408779958	ORLIHDDJDKCBMK-VFCFBJKWSA-N	514.047	5.091	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1	408791726	BMVUIALVGXCGMJ-GIJQJNRQSA-N	588.227	6.262	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)cc1	408793755	GLHYNMVMXWXVCA-RGVLZGJSSA-N	678.264	6.116	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc2ccccc12	408795045	UMSZFUOTKLXJIQ-OEAKJJBVSA-N	527.418	7.044	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408797051	QVBUYBVGJXTHIF-FYJGNVAPSA-N	575.362	6.477	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1	408797970	UQTFRUHIZHSNGE-LPYMAVHISA-N	667.297	7.118	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)cc(I)c2O)cc1	408812174	BRTAPUYJAQEGBF-MBTHVWNTSA-N	647.254	6.131	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408812598	PBPYDQBNNKDJFP-GRSHGNNSSA-N	576.274	6.575	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccccc1F	408814134	QGHUVAXRLGQYOK-NVMNQCDNSA-N	510.750	6.238	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408820796	YUTSCMDIKMCNQG-NDENLUEZSA-N	536.357	6.350	50	40	KKGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408829196	OJDNONJLZFZXCN-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccccc1	408829485	PMNDAYYCYOWBGA-UZWMFBFFSA-N	542.705	5.619	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408830917	GRAWJPWLKKHGLU-IBBHUPRXSA-N	606.915	6.403	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OCc3ccc(Cl)cc3)cc2)cc1	408835658	XUPDJOGBONFVSX-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408840181	CHWQOXFFPDTCTA-RVDKCFQWSA-N	658.327	8.247	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2cc(C)cc(C)c2)cc1OC	408857310	FTPVSQBHUXCOSW-ALQBTCKLSA-N	622.143	5.899	50	40	KKGB	
O=C(COc1ccccc1Cl)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408858172	QHDVHINVHUXRGM-RMORIDSASA-N	500.201	6.029	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)Cc2ccccc2)cc1	408872991	QIVBSXCPUNVZPE-MNBJERMJSA-N	565.095	5.097	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408876031	ITCFCUSHOJAQFM-AWQFTUOYSA-N	667.327	6.816	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(C)(=O)=O	408877125	SVQIRBPGPRFDAA-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl	408883198	UDHQZJXAWKXTDO-VCHYOVAHSA-N	586.826	6.543	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1Br	408884016	XOAWOERRRDZAFS-HYARGMPZSA-N	505.412	6.589	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(Br)c1	408886391	GRXLUQYLWJTROK-LDADJPATSA-N	571.225	6.553	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(Br)c1	408889079	BKYMBWYFKAOJAL-MDWZMJQESA-N	555.053	7.633	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(C(=O)O)cc1	408891560	SJZNESRIGPBFGR-RQZCQDPDSA-N	590.655	6.688	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408892668	DIVKTVPCZIJNEG-XDHOZWIPSA-N	541.423	5.388	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408898776	MZBPRXARFGWVDM-LUOAPIJWSA-N	725.546	6.663	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2OC)cc1	408900427	VRTUIPAFKRLFHU-GZTJUZNOSA-N	507.886	5.030	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl	408904590	LWFRECYJOSPQOY-PPDIBHTLSA-N	537.241	6.808	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1	408905374	XZSLHDAWWDZXEO-PPDIBHTLSA-N	514.321	5.999	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1ccc(F)cc1	408922543	FSRSWSNLUBVSGH-XODNFHPESA-N	580.248	6.101	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2Br)cc1	408926225	WGSJIKWIXVCUAL-HNSNBQBZSA-N	645.616	6.609	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(Cl)c2)c(OC)c1	408942108	FSJZKXGEZMBJOZ-NDEPHWFRSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccccc2C#N)ccc2ccccc12	408949076	QJAIDPZNADXEFB-MGBGTMOVSA-N	633.730	5.175	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	408969987	YHALAHKKEYJBMG-DIHSZKPRSA-N	590.507	6.218	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OC	408970796	KMAHVCIMLIBBLT-UREUMPLTSA-N	558.462	5.046	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	408973804	VHXGYJJCJXEFIE-BDJMIEHVSA-N	747.901	8.032	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1	408974069	WQSWTKIZNHUBFI-SPWMPQJHSA-N	574.259	5.113	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2cccc(C)c2)c(OCC)c1)c1ccccc1	408979045	KYIOJTNQISAUBY-NEDSSLFVSA-N	503.599	5.300	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408979655	NUIRRLXTKGDYRI-SJKPHHSNSA-N	572.621	6.339	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408981308	APLRDGUHCLBQEB-CXUHLZMHSA-N	508.874	5.811	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cc2cc(Br)cc(I)c2o1	409012161	JHODLPGLAHABCM-VYVUJPJFSA-N	844.982	7.491	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)Cc2cccc(C)c2)cc1	409064830	QDDKEZBJKBVJRQ-UZWMFBFFSA-N	541.673	5.224	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409068901	KCYSHLUKVHDDRC-MHWRWJLKSA-N	585.387	6.724	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccccc1Br	409116923	MMWMEAJISNQFTB-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409154510	OTWVOWZPNIUQSH-VPUKRXIYSA-N	628.694	5.524	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	409187383	PTKBYJBNHDKELW-SXGWCWSVSA-N	581.091	7.643	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)COc2ccc(Cl)cc2Cl)nnc1-c1ccncc1	409188973	LTVBOIKAKPDTNO-XODNFHPESA-N	572.434	5.255	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1	409203874	YOLVZYQWFOSJOA-RPPGKUMJSA-N	615.718	6.529	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1	409223662	GUWCSPZZVZBACK-UHFFFAOYSA-N	586.442	6.002	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(I)cc1	409229459	PHVRGSYBYFULRJ-WCEBZYJUSA-N	572.830	6.317	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2I)c1	409244275	ANMSRLIBWHMRPJ-WKIKZPBSSA-N	628.223	5.615	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409256936	MVVIXNULYMEKSS-YDZHTSKRSA-N	623.491	6.487	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)cc1C	409264453	FULKXPPRJKQEFF-NVMNQCDNSA-N	617.725	7.045	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409306140	YNTXSBMUHSABEC-VHFSBPNMSA-N	636.532	7.070	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC=C)c(OCC)c2)cc1OCC	409312346	KPILGLQICLRWIP-QQXSKIMKSA-N	503.393	5.140	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	409321896	HXGMKVLGNHXKJU-APTWKGOFSA-N	545.035	6.669	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1OC	409324476	UJNVCVYLFZFCGU-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2Cl)ccc1OCc1ccccc1	409325158	WXLYTRZLJNBZOZ-KYHGBAKBSA-N	579.878	7.033	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	409372168	FSEQMWPOVFGZLE-FJEPWZHXSA-N	598.291	6.725	50	40	KKGB	
Cc1c(/C=C(\C#N)Sc2nc3ccccc3s2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409383790	HLJSONWAOWGVRO-QGOAFFKASA-N	506.483	8.571	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)C(O)(c1ccccc1)c1ccccc1	409383943	QSWPPGMYWTZCNL-JVWAILMASA-N	520.339	5.004	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl	409392021	NAAHQYMNIULDFW-HIWRWHBISA-N	587.301	7.059	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)[nH]c12	409394940	HUVMRVCGIDAWGT-UHFFFAOYSA-N	568.427	6.589	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396539	WBGKKYUSEWMWDP-UHFFFAOYSA-N	717.516	6.755	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)c(-c3ccccc3)c2c1	409397840	ONSYNZHEMMWICW-UHFFFAOYSA-N	503.558	6.135	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCC(=O)OC(C)C)o2)cc1	409400070	BGSWIIBWAUCTJH-OHUYPAJKSA-N	572.662	5.426	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(Br)cc1Br	409400483	DJWICLSHMWPNGY-FIBXFRIOSA-N	747.484	8.871	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409404138	OWDAXZDNINCDJP-KWMKVIAQSA-N	574.590	5.269	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)Nc1cccc(F)c1	409405322	SUSVYFDXVWBQDH-XFDYYPNTSA-N	650.707	6.924	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409407499	ZYFLXARGEGQUPZ-PTZDRTPLSA-N	669.782	7.764	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OCC)c1	1529547492	LEOZPCOKPMOZQN-MJJWSTQNSA-N	637.158	5.203	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccccc1Cl	1529548938	QOBMDUYAJKFILH-BTEHTESLSA-N	663.196	5.541	50	40	KKGB	
C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4cccc(Cl)c4Cl)o3)c2C(N)=O)C1	1240532	MHNBABDBYLZMOL-GMCKNXKJSA-N	500.407	6.084	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1Cl	2312020	AOXRHYALMXUZMK-DEOSSOPVSA-N	526.489	6.739	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	2660499	HPNRAAADPKNOSQ-NSKAYECMSA-N	509.828	5.347	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	8874968	FMFWKQGFIKSOKH-CVKSISIWSA-N	512.360	5.028	50	40	KKGB	
COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccccc1Cl	20028840	WJYVZPVCYCGHRB-VWLOTQADSA-N	504.011	5.734	50	40	KKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	28214194	UVGAPBWVGBCQTE-JZNDDVEWSA-N	502.423	5.642	50	40	KKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c1	40486436	UREZOFSTLOSAOS-VWLOTQADSA-N	506.071	6.394	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58916831	NVUMQDRDMFZWME-FGXGQWQFSA-N	520.073	7.079	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	58917196	PQNWUQMBVOVAKE-UDCQLWOHSA-N	502.083	7.188	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1	97951576	XSQJPDOXYSTYNF-VWLOTQADSA-N	540.041	5.160	50	40	KKGB	
CC1(C)[C@@]2(C(=O)N3CCc4ccccc4C3)CC[C@]1(C(Br)Br)[C@H]2Br	97952675	DILNGCNUERXJDL-ZMYBRWDISA-N	520.103	5.257	50	40	KKGB	
COc1ccccc1[C@H]1C(C#N)=C(N)N(c2nnc(SCc3ccc(Cl)cc3)s2)C2=C1C(=O)CCC2	98006238	XCTONXYGHSOWFE-QFIPXVFZSA-N	536.082	5.797	50	40	KKGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4ccccc4Cl)s3)C3=C2C(=O)CCC3)c1	98006251	XAIUDTOUUOAVSO-HSZRJFAPSA-N	566.108	5.806	50	40	KKGB	
N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@H]1c1ccc(OCc2ccccc2Cl)cc1	98048459	WNIZDEPVWNUXJO-QHCPKHFHSA-N	522.457	6.792	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3Cl)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048768	AHEOQFKNUOHQHT-MHZLTWQESA-N	595.508	6.414	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)c2C)c1	100123057	LVHIOIVHXIAXFH-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1	100287694	JWGLACKSGXYHNY-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)cc2c1	100377966	XOJZUJMDVAPWMP-AQLQTECXSA-N	561.849	7.533	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)c1nc2ccccc2c(=O)[nH]1	100920149	SDKFLBXWBSZHKG-JJIBRWJFSA-N	556.025	7.072	50	40	KKGB	
O=C(N/N=C1/CC(=O)c2ccccc21)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1	101389684	DAGHCDXIVOFHRR-RGXNXFOYSA-N	531.519	5.888	50	40	KKGB	
CC/C(Cc1ccccc1)=N\NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1	101535635	NUXJEHLFAMMHMY-IXFMWPSGSA-N	624.552	6.090	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCC(=O)Nc1ccccc1	101712179	WKQWCNIRHSTGDS-HMAPJEAMSA-N	587.474	5.612	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccccc1	103754328	MBTXINJWIAIVQA-RUMWWMSVSA-N	529.625	6.519	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12	112255476	AEKKGHMYEUUSNV-VALPWCMGSA-N	575.668	6.125	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)c2C)cc1C	150385316	FVQKQKAGVYMJHN-NNLKUIAGSA-N	639.221	7.832	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc(I)cc(I)c3O)nc3sc4c(c3c2=O)CCCC4)cc1	150451071	BBGGTRCLXSIEIP-XKJRVUDJSA-N	756.429	5.792	50	40	KKGB	
CC[C@@H](c1ccc(OC(C)=O)c(C[C@H](Br)CBr)c1)[C@@H](CC)c1ccc(OC(C)=O)c(C[C@@H](Br)CBr)c1	150481138	NCWYJFDRKYAOIS-QYOOZWMWSA-N	754.192	8.626	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	211012179	AFBWFSVNVDXIBQ-XBQJKBNESA-N	617.171	6.760	50	40	KKGB	
CCC(Cc1ccccc1)=NNC(=O)[C@@H](C)Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1	252428019	NUXJEHLFAMMHMY-HXUWFJFHSA-N	624.552	6.090	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	408537586	FXSIRJDIILYADJ-QHDYCIAZSA-N	649.655	9.218	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)ccc1OCc1ccccc1	408540639	UTWJUQDDSPWIFN-ZMOGYAJESA-N	650.323	8.351	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OCC)c3)cc2Br)ccc1OCc1ccccc1	408541001	XDKKXYDGDCQZTP-PMHDSTOGSA-N	788.533	9.510	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)cc2OC)ccc1OCc1ccccc1	408541261	YOKCBFUHLZKCSZ-BOABNOFISA-N	711.609	7.976	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552419	TXZYPLMBKWUJET-WOJGMQOQSA-N	610.433	6.136	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408668746	DZXUFPZEBYQZIJ-FZKCQIBNSA-N	554.666	5.327	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	408718452	YFNWIZASICQOEX-FDAWAROLSA-N	572.415	5.693	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408727185	YRPQHKTTZWWRMI-WQRHYEAKSA-N	556.800	6.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Br)cc1	408735795	XUPRDIFVQUETQC-DEDYPNTBSA-N	525.830	6.934	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)c1	408746074	XCFXZARWRLUNKF-LSCVHKIXSA-N	525.786	6.264	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	408746429	SQDFREDHRBCXRP-IUXPMGMMSA-N	580.693	7.933	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cc(C(C)(C)C)c1O	408760458	YXMBGRYUMAYFCT-ZCTHSVRISA-N	581.691	5.746	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)cc2)cc1	408767774	NWIOOZUCMFNUCH-QXUDOOCXSA-N	548.643	5.035	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2cc(Cl)ccc2OC)cc1OC	408780830	LRSDPNBPBAGUHV-XODNFHPESA-N	586.881	5.018	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408790988	ZWIDTVNMQZTZGN-VXLYETTFSA-N	503.312	5.354	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1C#N	408794163	HSXJDAVJVUWIAH-VXLYETTFSA-N	569.786	5.950	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1cccc2ccccc12	408794215	IIFFOYVELVTMAZ-BUVRLJJBSA-N	541.003	6.803	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccccc1C#N	408794232	ILMRSMLFPVJYBI-KEBDBYFISA-N	536.813	6.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1F	408796982	QBBFPVZWBVKIDG-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(O)c(I)c1	408797386	RFYVMRDTCOYHPH-NYYWCZLTSA-N	564.548	5.109	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1cccc(Cl)c1	408812377	LRKDOPPMWGOXBN-KEBDBYFISA-N	525.830	6.853	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(C)cc1	408826513	GVIKJJVWBMBTLU-XZYGTATASA-N	664.622	6.692	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408827558	KKECJYIHHOSDSI-ATZGPIRCSA-N	645.952	6.010	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408834346	XXFLIYBPQJXPBF-MWBNBJEGSA-N	685.040	6.961	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)cc2)cc1	408835105	MKBYMNBYNIBTJX-VFCFBJKWSA-N	569.617	7.760	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(C)c(C)c1	408835379	WSWLPPKEDLCQKB-MTDXEUNCSA-N	567.085	8.059	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408849391	YEKRPFQSKGXZES-XAZZYMPDSA-N	667.881	7.054	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)cc(C)c1OCc1ccc(Cl)cc1	408850210	IFUPAZYVYHYNNO-ATZGPIRCSA-N	546.136	7.648	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	408854365	DFSVXKPPQHGWQI-KSEXSDGBSA-N	508.166	5.295	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408862281	ILVKOIGCOGUVEV-MWBNBJEGSA-N	685.040	6.961	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccccc2Cl)cc1	408863668	UCWAGYDCCHKNIQ-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(C)c(Cl)c2)cc1	408864426	VOYHCQFSUQODMT-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(C)c(C)c2)c(OC)c1	408865492	CSXJCOADSMHACF-YDZHTSKRSA-N	566.439	6.604	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408871404	YRWXDEQFMZYBOI-VMJBBSNPSA-N	568.320	6.974	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408880640	HOUQBQRUHWVYNN-JVWAILMASA-N	526.387	5.418	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408883590	ROKRGJWLVIQYQH-LQKURTRISA-N	503.352	5.594	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1	408894019	IFTQAODWRCBFPP-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(I)c1	408895493	KVMZQALYCSXLAF-LZYBPNLTSA-N	672.542	7.594	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	408897785	UALLROBTRVAAJE-QGOAFFKASA-N	511.361	6.166	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OC(=O)c1cccc2ccccc12	408900551	WAHSPWZIVJSYQG-LTGZKZEYSA-N	506.514	5.702	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408904216	GOPVCQWHBXCBGD-WGARJPEWSA-N	527.375	5.799	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc(C)cc1	408923471	YBQKJEZESWOYQH-OKCVXOCRSA-N	572.470	5.916	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OCc1ccccc1C	408926224	WFLGZVDSEZXHQC-SRZZPIQSSA-N	597.409	6.340	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1	408946951	NBIKRIFXTQDGGN-HHHXNRCGSA-N	645.540	5.597	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(OCc2ccccc2F)cc1	408953154	OWTMDSAMICRLFN-IMRQLAEWSA-N	532.619	6.559	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccc(Cl)cc1	408966409	LMBHLLYJYFOHCH-VFLNYLIXSA-N	577.781	5.697	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	408968945	DIKWOTWQTJCPPY-XDUILBJDSA-N	622.505	6.075	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c2C)sc2c1CCCC2	408977470	DPBWPARETKKMBF-MAIOBWFBSA-N	646.835	6.080	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	409001073	GKXOVSAYSGUIRG-PNOYGBBQSA-N	576.480	6.593	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1	409007559	XTOUHMUGNWGHAF-MUFRIFMGSA-N	516.038	5.118	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cc2cc(Br)cc(I)c2o1	409015652	OYZOVPNPDNPMLZ-VWJSQJICSA-N	648.298	7.720	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1ccccc1F	409020093	LWALIPDDXGSDEH-PNQUVVCRSA-N	671.688	7.334	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12	409032226	LUODDUHNJPYGMQ-CYSFQNGNSA-N	561.641	5.735	50	40	KKGB	
N#Cc1ccc(COc2c(Br)cc(Br)cc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409034184	PQWMLIIOLGXBAB-MWBNBJEGSA-N	640.335	7.641	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccc(OCc5cccc(F)c5)c4)cc3)cs2)cc1	409044007	NLFGFLPSTVXYTO-DPNNOFEESA-N	536.632	7.344	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409047843	NKSAFHABZOXVOY-FRKPEAEDSA-N	525.741	7.790	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409069854	XFTQEBHNDJWZOM-FYJGNVAPSA-N	504.417	7.640	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)c1nc2ccccc2o1	409071762	LFIQDKCFUSLYDL-NTEUORMPSA-N	594.668	6.838	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409084251	ATEUTWFNTKLBBS-LICLKQGHSA-N	590.352	7.421	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	409184820	OCESFSLZGCISNA-JRZNSJKLSA-N	697.213	6.834	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(C(=O)O)cc4)c(I)c3)cc2c1	409188082	WVTGFSQJFPJQBS-DBFSUHOCSA-N	663.262	6.240	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	409210962	MFGHDWBXTJSBHI-XODNFHPESA-N	523.869	6.867	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccccc3)cc2)cc1	409220450	ZUWLQXVNFIKKGN-YKQZZPSBSA-N	522.517	5.139	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c2)cc1OCC	409222085	AQZXILORBPIALY-UHFFFAOYSA-N	753.400	6.973	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1	409226314	UVHOHDLYHIIQDC-MNBJERMJSA-N	536.544	5.447	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409226710	RROKNWZDTONIFT-GZTJUZNOSA-N	544.822	6.609	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1	409257792	VCASWHJUHYYIAN-SFQUDFHCSA-N	510.775	5.666	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br)Nc1ccccc1	409263301	KILLNWPYKHLXMG-KVAAJVFYSA-N	660.981	7.751	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409263472	MVGSBZWWCKMIQK-XKZIYDEJSA-N	609.464	6.178	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OCC	409313028	ARLPNZWHBLCFID-LQNQUEJISA-N	522.001	5.393	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1OCC	409313205	NJVRBAJIRANPKP-BVMLUPFRSA-N	563.916	6.787	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)ccc1OC	409319499	HFAVURRJEWGJRU-VYYCAZPPSA-N	650.382	5.470	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC	409320291	COULUVPGXZZXQO-VYYCAZPPSA-N	650.382	5.470	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1ccc(I)cc1	409368854	PQJCVFLABRNUAZ-WZUFQYTHSA-N	504.947	5.586	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OC	409370200	MVBRYCIHLITXLP-WKIKZPBSSA-N	591.256	5.010	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(I)c3)[nH]c2c1	409374527	RVZAURLYJYFNIN-MFOYZWKCSA-N	560.222	7.426	50	40	KKGB	
O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1	409382455	MOTPTCVGZAVOTD-DNQXCXABSA-N	662.495	5.174	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)cc(OC)c1OC	409394547	CAWFQVLCXYGZNV-UHFFFAOYSA-N	697.369	7.913	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)[nH]c12	409396654	ZSZLVAVQDYKURZ-UHFFFAOYSA-N	695.795	8.313	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)c1	409397358	IYZVQBVSUXTLRF-UHFFFAOYSA-N	599.428	6.731	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398906	WICDSHFOYRIOSI-UHFFFAOYSA-N	737.003	7.667	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3ccc(Br)cc3Br)o2)cc1	409400178	BWILHHRORSIJJE-KOKCXWAISA-N	720.462	8.200	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(Br)cc1Br	409403388	MNOSUEDPOLWUGV-ADJDCTSUSA-N	833.315	8.747	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	409405364	TTWKHWKXONCFPR-NRFANRHFSA-N	594.064	6.022	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)Nc1ccccc1C	409407098	YXJPQJNIECUUPZ-UUSDDZCZSA-N	778.498	8.280	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)cc4Cl)c4ccccc34)o2)cc1	409407216	ZDELSTNGZOARSG-GZOMZLSJSA-N	625.556	8.648	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1	1529547962	SNETVDRAPPQTHO-RQQSEGDXSA-N	813.512	6.671	50	40	KKGB	
C#Cc1c(C#N)ncn1[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	1570001718	RJVWHBXVWDAUNX-POTDNYQPSA-N	592.018	7.436	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)c(O)c1	1745531	NTKNFKNZZCXWQK-OGLMXYFKSA-N	508.692	5.057	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1	1834196	NQMVHGPDXYLPJD-VULFUBBASA-N	526.847	5.593	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2C)cc1	2395955	SKCPOVZZXZJQJB-KVILUOORSA-N	502.039	6.330	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	2741932	JIYUZHVTDAMOMN-HRXXRIAWSA-N	525.465	5.817	50	40	KKGB	
CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC	2799250	NOYJUZKVRWCLDD-QHCPKHFHSA-N	543.421	5.927	50	40	KKGB	
N#C/C(=C(\Nc1ccccc1F)SCC(=O)N1c2ccccc2Sc2ccccc21)c1nc2ccccc2s1	3253483	YVGLDWJHJYZYEM-CEUNXORHSA-N	566.708	8.302	50	40	KKGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	4174421	YLBUNEVLWJEHOD-LFEJTYMTSA-N	569.334	5.731	50	40	KKGB	
O=[S@@]1c2ccc(Cl)cc2C[C@@H](SS[C@@H]2Cc3cc(Cl)ccc3[S@](=O)c3ccccc32)c2ccccc21	5834062	HDJWIAKCZPDXOF-ZQHOPBKKSA-N	587.640	8.603	50	40	KKGB	
Cc1cc(I)cc2c1N[C@H](c1ccccc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6194061	PFITVAHMWKMAJH-BOLWVKMUSA-N	576.887	7.546	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2-c2ccc(Cl)cc2Cl)c(OC)c1	8397647	GMQVRJZKTCUPMT-UHBFCERESA-N	611.515	5.017	50	40	KKGB	
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)/C(C#N)=C/c3ccc(-c4ccc(Cl)cc4)o3)s2)cc1	27740075	WLDPHNVNFSQQID-XDHOZWIPSA-N	510.984	5.351	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1cccs1	33355319	SPRKXSORIDRHDW-OAQYLSRUSA-N	530.469	5.308	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1	33958033	ONCIQGGUWRFVLQ-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1Cn1nc(C)c(Br)c1C	97965640	KGEBWCCLSBSSPZ-VZFOORBSSA-N	563.521	6.303	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21	98006288	WTBZWLTZVWKZKA-RUZDIDTESA-N	530.909	5.545	50	40	KKGB	
CCCCCCCCCCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(CCCCCCC)cc2)cc1	98045057	PBZQKAWVUSXDOQ-UHFFFAOYSA-N	578.882	10.134	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	100128067	BXVXFGNOVHDUSW-WKULSOCRSA-N	543.476	5.470	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccc(C)cc3)o2)cc1	100211107	SOAOLBWPUAAOER-KCSSXMTESA-N	594.089	5.739	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	100239872	CLSLGYDNINAOTJ-ZCTHSVRISA-N	565.095	5.492	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	100952611	GIWNNCDMQQLMOV-VCHYOVAHSA-N	522.311	5.180	50	40	KKGB	
O=C(CSSCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1	101160493	AZGVGAQGLPIZIN-UHFFFAOYSA-N	537.334	6.990	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)ccc1O	101536439	NWRASKJSHMMCBM-LXISSDBLSA-N	552.660	5.378	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N1	101555242	SBAINXLZRHSUQM-NDEPHWFRSA-N	558.103	6.768	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1	101710691	UTZKTDPWYMZRMZ-PCLIKHOPSA-N	618.471	7.366	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1	102078580	ATBPDAQZZCEECS-JSIHEXFSSA-N	601.295	6.416	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	102807568	PODUJPKWYBKFOU-XMMPIXPASA-N	552.425	6.132	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(F)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	102808493	DGCZZXFGCJCOGZ-AREMUKBSSA-N	532.597	5.524	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(F)cc1	103890045	HCLHUTXRJPRYPF-SXGWCWSVSA-N	550.211	7.028	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccccc1OC	104581049	GYAWYDXMRZCKOE-HNSNBQBZSA-N	559.018	6.309	50	40	KKGB	
COc1ccc2ccccc2c1/C=N\NC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br	104813262	XWUHBMGMLONTNZ-PPDIBHTLSA-N	548.275	6.334	50	40	KKGB	
O=C(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)F)C(F)(F)F)C(F)(F)F)C(F)(F)F	150352373	LXDDXXAFOATVOT-PAMBMQIZSA-N	924.116	9.166	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCc1cccc2ccccc12	163908528	JPDCPBAZTQIIBR-HASSKWOGSA-N	634.530	7.198	50	40	KKGB	
CCN1c2ccc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc2[C@H](C)CC1(C)C	208301635	UDCXIVCTPROPHR-CJCQAYSXSA-N	523.269	5.793	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1cccc(C)c1	408542217	IGXXSXKPJWPZFN-UUYOSTAYSA-N	539.369	6.340	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3c(C)cc(C)cc3C)c(OCC)c2)c(C#N)c1C	408547131	RPYSXMABUVAMEJ-ZMOGYAJESA-N	556.684	6.727	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554123	QDONULVCWSDKCV-GIJQJNRQSA-N	558.849	6.835	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408598530	CLBZUNNBBQXCLH-IBBHUPRXSA-N	625.334	7.637	50	40	KKGB	
CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	408612331	VAJISZOYBRQFIU-XAZZYMPDSA-N	546.933	5.028	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1	408660362	PVUYQGGLXDGOGJ-LRTBUGQYSA-N	679.383	7.475	50	40	KKGB	
Cc1ccc(N(CC(=O)NN=C(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1	408725796	HXTOHIXYPZVMTH-UHFFFAOYSA-N	529.637	5.287	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccccc1Cl	408725912	NYUJOPASONEPSE-WQRHYEAKSA-N	527.802	6.331	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(I)cc2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741590	JXNUOHDVPPMQKG-GOJREDGKSA-N	633.489	8.440	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)ccc1I	408746740	GKANYRBGSBCRRH-UVHMKAGCSA-N	564.807	5.613	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OC	408762223	DHRLBNLHMORCJW-RWPZCVJISA-N	566.480	5.692	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	408783178	KYHSKYAKUZKBBZ-LQKURTRISA-N	554.388	5.204	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408788949	NHSAXIGAMTWHPS-LZYBPNLTSA-N	649.195	5.995	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408791375	WTPXGJQVQRGSJU-LFVJCYFKSA-N	512.968	7.183	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(I)cc1	408796306	XTYZDHQFUIZTPP-VCHYOVAHSA-N	607.673	7.140	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1F	408807612	CZASAWOKBRIRTB-YBEGLDIGSA-N	520.185	7.020	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408825241	HYMLOUDKQRINLW-YDZHTSKRSA-N	652.918	8.657	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(C)cc1	408827460	CZWUKDIXEYHAKQ-MFKUBSTISA-N	573.476	8.014	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(C(C)C)cc2)cc1	408830733	NNBYKJGXJLNKSO-JEPNHJGPSA-N	633.170	6.135	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408831615	URZUTJAKKZOAFF-HASSKWOGSA-N	753.075	5.834	50	40	KKGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408831803	SDTCCEKDWVCYOG-QXUDOOCXSA-N	681.192	5.258	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)ccc4OC(=O)c4sc5cc(Br)ccc5c4Cl)cc3)sc2c1	408839211	OUSGZLWTRJWGDK-DVRIZHICSA-N	816.380	10.492	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)/C=C/c1ccccc1	408839524	UDKNLRJKYKOSKF-UKOUCCTDSA-N	578.581	5.629	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	408845630	YMNQTSJLXNEYJY-RUMWWMSVSA-N	557.672	5.318	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408846500	SQTKAQVWMJXPEZ-IRWBXMRWSA-N	672.421	9.519	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C(=O)O)cc1	408848052	PDVRELVUPPDJGD-WKIKZPBSSA-N	523.339	5.245	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1	408850751	DSSVQNPSQLVUSN-MZJWZYIUSA-N	562.258	5.718	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1	408858040	RKUIPZAEPHKKGS-IPHFVPNQSA-N	559.622	6.502	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1	408858957	RRFROCKTLRMWDL-DANHRZQXSA-N	722.986	8.212	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1	408860387	UPPDPJHVJULJLA-UGWPKUPRSA-N	612.752	5.412	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408862394	YIHOCLSTRDGSCR-WKULSOCRSA-N	607.313	6.362	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408867913	KPTBHCROTOUTKM-MUFRIFMGSA-N	564.491	5.445	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OC(=O)c1ccc(OC)cc1	408878528	BRIKHLRAWYZSNO-LICLKQGHSA-N	637.257	6.770	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)cc(Br)c1O	408882721	RZAOCRYKEQBSFJ-ZNLRHDTNSA-N	578.208	5.829	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408883446	PTLHCVBEWYYZJR-XICOUIIWSA-N	636.170	6.370	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408883773	UVCBZLYITOMQBH-CAOOACKPSA-N	605.670	7.206	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1C(=O)O	408899173	ZPPOWQWPYKCVBC-CXUHLZMHSA-N	501.753	6.470	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)cc2Cl)cc1	408903900	BAPZVEDZWVZFBO-PPDIBHTLSA-N	521.242	7.107	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1	408906784	DRKBYJGZTRCACH-XKJRVUDJSA-N	564.800	6.011	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	408938872	AKHZJXVRSJFNDV-PMERELPUSA-N	637.158	5.203	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408945485	KXBFPUGPIDJCIJ-HHHXNRCGSA-N	740.891	6.873	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)c(OC)c1	408952112	JXRFRGNQYRDDFB-HQWKKZGVSA-N	666.731	5.546	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)c(OC)c1	408955782	PGMQRUVZWJBZEG-HLOVGQHQSA-N	691.568	6.454	50	40	KKGB	
CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)cc1	408964032	MCDHYUSEBPGGEB-UDIPQKBFSA-N	523.460	7.188	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408983585	MMPVVFRUBDNUKG-NVMNQCDNSA-N	556.800	6.452	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1Cl	408984421	QUINZDQNSFHKDV-LSCVHKIXSA-N	698.682	6.681	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1Cl	408987313	OBTWPWOWEJATRP-LSCVHKIXSA-N	525.786	6.264	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1Cl	408989202	SMNZZQSEITULFC-IUXPMGMMSA-N	578.663	7.437	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)OCc1ccccc1	408992296	RJSHWBGVFVPPOD-PKUGDOGYSA-N	691.751	5.552	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)c2)cc1C	409009220	CAYPYORQMKLONB-KKMKTNMSSA-N	575.257	5.315	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccco2)cc1	409014487	PPTMTJZYRWFBQU-XJAZSINFSA-N	634.044	6.787	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)COc3ccc(Cl)cc3)c3ccccc32)c1	409014610	NIRRZIGRISKAAQ-OREYQFFLSA-N	593.127	6.216	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)cc1	409028300	LKPOGSVRHDZDQA-RSAIGHIKSA-N	544.677	5.500	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccccc1Cl	409030651	HFHFZLADKVRYRJ-XZYGTATASA-N	661.927	7.901	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1cccc(Cl)c1	409052279	JCILXARLTMVOLN-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	409052411	HBJHWFWYKZDVBQ-XKJRVUDJSA-N	570.698	7.459	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	409079072	KAFIQOOVCQKCIM-MHWRWJLKSA-N	538.900	5.902	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)c1C#N	409092546	WYQHWJMAJDCLQL-NNOOIMGWSA-N	793.169	5.627	50	40	KKGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc2cc(Br)cc(I)c2o1	409107029	PTHIJBWGWGTZPF-IFRROFPPSA-N	548.518	5.125	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1C	409153979	JKHRQKBKEJGNLJ-XKJRVUDJSA-N	608.276	5.179	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12	409181415	CMOLRWNIBDOMAW-RYRAOKFWSA-N	611.701	6.889	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3cccc(F)c3)cc2c1	409186933	JUJFWGUGRATTCT-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2F)c(Br)c1	409210452	ISOGGCQLDRLCPK-RPPGKUMJSA-N	507.812	6.063	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409227024	XDWONARWIBHKQT-UHFFFAOYSA-N	690.142	6.803	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1cccc2ccccc12	409228376	YAJUEWHQRKGJAK-IMRQLAEWSA-N	616.499	7.078	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccc(Cl)cc1	409267692	VUXQKFCHFJPCDR-IRWBXMRWSA-N	774.322	9.167	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1OCC	409310216	SGGKGLBIFJNGGD-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)ccc1OC	409326291	JKFYICNDAVANBD-ZRGSRPPYSA-N	638.225	5.992	50	40	KKGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	409327000	PTOQHBTUQBSCTK-DICXZTSXSA-N	513.388	5.208	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409374613	UZIJGQDLVQCFLK-ZDLGFXPLSA-N	566.355	6.036	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccccc1C#N	409374791	ZKKSZZTUUKJLNK-NHDPSOOVSA-N	560.395	6.389	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl	409385972	MWCAMKNNJKHULF-KVSWJAHQSA-N	525.373	6.331	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C)cccc2c1-c1ccccc1	409394702	DVPKTEAIEDPLNX-UHFFFAOYSA-N	695.795	8.313	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)cc1	409396357	XYFGNSBYHJQPSX-UHFFFAOYSA-N	591.973	7.499	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC(=O)Nc1ccccc1C	409401438	HCESPTOHUSRACE-LMOHNTGSSA-N	660.771	7.483	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)o2)cc1	409403556	NIXZRWILHBLYBD-VHFSBPNMSA-N	615.061	6.840	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1	3089570	FSSHPONWLIYYDE-IHQYTQDJSA-N	513.550	5.028	50	40	KKGB	
Cc1cc(Br)ccc1N(NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)c1ccccc1	3616696	AGAZXQKZSVABQG-UHFFFAOYSA-N	584.297	6.678	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	9289442	QSRQGAITYNDBSI-LGJNPRDNSA-N	506.183	5.668	50	40	KKGB	
CNC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCC2	12284878	VIDPJZYPUCBJKV-JLHYYAGUSA-N	500.407	6.099	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1	20170619	IVQDMZFUHKSCJC-HSZRJFAPSA-N	514.434	5.790	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccccc1Br	20761035	TYWGJWVFNGBAOQ-JFLMPSFJSA-N	504.340	5.853	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cc(Cl)ccc1Cl	58913110	DZWPQSATZLGSQI-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	59333954	HTXGOZNRQGWJCS-ZDLGFXPLSA-N	514.217	5.939	50	40	KKGB	
COC(=O)c1c(C)[nH]c([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)c1Cc1cc(Cl)ccc1Cl	59722792	APUORXNYFKPTQW-JOCHJYFZSA-N	527.433	5.307	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	96476364	BOEBLNASPILJHU-KQWNVCNZSA-N	516.428	7.526	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1OC	97939445	DZRGUGGNUQINLG-MIXAMLLLSA-N	536.057	5.546	50	40	KKGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	97962788	KSNLEOMZXIBUIF-OKCVXOCRSA-N	592.501	5.060	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)=C(C#N)[C@H]1c1ccco1	97999948	OAOQPBPRJNQDBA-HKBQPEDESA-N	592.677	6.787	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100125877	UQMRWZGPWCVESV-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	100127228	IFKHOGSJNARSOA-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
CCCOc1c(I)cc(I)cc1/C=C(/C#N)c1nc2ccccc2[nH]1	100183649	XHWRYTMZWJZSGD-JYRVWZFOSA-N	555.157	5.625	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1	100221128	RCSAXQRHFLAORB-QCFMCPCVSA-N	593.705	6.163	50	40	KKGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	100480335	GWOURKIIYLQFMC-UZWMFBFFSA-N	577.622	6.870	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(OC)c1OC	100935093	QLPKSEOMZPIVIY-UUASQNMZSA-N	525.380	5.769	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	101305419	YWVUDZWZULUXOR-VWLOTQADSA-N	564.494	6.762	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1	102599864	NDMRXZKPBHAMHS-RUZDIDTESA-N	522.070	7.016	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(CC)cc3)NC(C)=C2C(=O)Nc2ccccc2)cc1	102719318	IYTNVRTWTSDNGS-PMERELPUSA-N	552.700	6.354	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)N1	102808575	JRQVMBMKQPAQSE-VWLOTQADSA-N	603.022	6.667	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc2ccccc12	103884296	RZVNNDSBWONZNJ-DIBXZPPDSA-N	596.525	6.836	50	40	KKGB	
CCCCCCCCCCCCNNC(=O)[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2[C@@H](O)[C@H]1CO)OCO3	104124835	RIGXOJYTTTVIFJ-GVROLHFASA-N	614.780	5.386	50	40	KKGB	
C=CCOP1(c2ccccc2)(c2ccccc2)NC(c2ccccc2)(c2ccccc2)C(C(=O)OC)=C1C(=O)OC	104230393	GXAYOOBSIIAHDT-UHFFFAOYSA-N	565.606	5.370	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)c(C)c1	105049697	VNBUJVOGQKJICO-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	164732888	MOXHVTGTXDOTNL-NVNXTCNLSA-N	706.987	8.248	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(C)cc2)cc1Br	164785854	JUSWBQJZLQRKSQ-QLQYKETESA-N	672.601	6.844	50	40	KKGB	
COC(=O)C1=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1C	329788193	XAXDDZPJCZPGKN-QFIPXVFZSA-N	525.585	5.858	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)c3ccc4ccccc4c3)cc2Br)cc1	408549291	SCDYPQMTMKNEOL-MSXFZWOLSA-N	533.263	8.316	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)ccc1OCc1ccccc1	408552935	SNTRQFSXWRYJTO-FZPRHHONSA-N	578.452	6.362	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)c1ccc(Br)cc1	408579267	FPHOPEFZDXTTRX-RQZCQDPDSA-N	566.062	7.756	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1	408581717	ZADFXCIJDWPLNT-RGVLZGJSSA-N	540.255	6.910	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408584037	ZOXVEIXZRASQHC-UDWIEESQSA-N	556.356	6.250	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408651141	NBENIOHIJOPPCD-VZJUQIMDSA-N	714.794	5.577	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2cccs2)cc1	408654843	QVQDGJLNBPMKRB-XIZCMSMASA-N	720.823	5.639	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408658125	UXYYXJAZRDUIFH-UDZALUMHSA-N	794.236	6.139	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3ccc(I)cc3)ccc3ccccc23)c1	408710573	KOFNWSGTCQYLGP-MUFRIFMGSA-N	566.395	5.805	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408712041	WYRLDXDFUNORMO-DICXZTSXSA-N	546.259	5.882	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408719763	QXXZAUNGITVEHY-VFLNYLIXSA-N	570.698	7.080	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1	408742008	MKVNFDDEHYGKOY-UCQKPKSFSA-N	513.391	6.736	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(I)c2)c1	408742978	DDBWNMGGGHPITP-ODLFYWEKSA-N	573.228	6.487	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc2c(c1)OCO2	408743061	DIXHIBDXERTUCB-GRSHGNNSSA-N	521.367	5.620	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408744804	HJHJHICFBAFUAH-MFOYZWKCSA-N	590.655	6.688	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408747345	MOYVOMUPPJHPFP-MNBJERMJSA-N	641.303	6.019	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)ccc1I	408747523	PDASNBWQVVWEQY-KKMKTNMSSA-N	674.127	6.176	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1	408748803	HSPMAGMYWQYQTJ-LGJNPRDNSA-N	612.296	5.069	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1Br	408762922	COHSXKGNCDJIQN-LFYBBSHMSA-N	590.009	5.287	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408773108	SSMYOVPBDZDILP-SGPPZOPCSA-N	588.584	5.911	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	408773728	SZRZFJGJIQTHSA-MTJSOVHGSA-N	536.415	5.557	50	40	KKGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OCC	408787085	QXYOGUUQKPSEEE-RGEXLXHISA-N	547.437	5.871	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408791086	SZTNGHKPFZYCHA-OGLMXYFKSA-N	579.483	8.850	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2I)cc1	408793632	FYIVQURHXGREBT-MFKUBSTISA-N	726.352	7.908	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408809463	RROYOAVJJVJONJ-HYARGMPZSA-N	557.444	7.140	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408811202	MJJXGUGRCVJPAM-UCQKPKSFSA-N	562.420	5.897	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)cc1Cl	408821666	JYDDFYNVIYELRW-SRZZPIQSSA-N	654.888	7.248	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408834826	MIBDAZGIKAGAQA-XSFVSMFZSA-N	570.281	7.125	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OCc2ccc(C)cc2)c1	408835279	YFUBOFLHJVFUDA-YZSQISJMSA-N	539.031	7.361	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccccc2)cc1	408839091	MUNSSLIAEFGLSH-ATZGPIRCSA-N	588.472	7.444	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1	408849319	ZPTVSFZLFXJSGH-XJECJHNESA-N	660.977	8.169	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1cc2ccccc2o1	408853582	PWPCKNABOJVRGO-PPDIBHTLSA-N	546.190	6.440	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	408863238	QMCPZVQGBCPSPQ-KCSSXMTESA-N	623.573	5.828	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Br)c2)cc1	408866682	HYZASQNZNPTCNH-FYJGNVAPSA-N	524.256	6.910	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)c2C)c1C	408868903	PVWIZFXZODUUMP-XKJRVUDJSA-N	558.491	6.222	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1Cc1cccc(F)c1	408877771	UKBMTGXSAQEYOZ-VCHYOVAHSA-N	513.794	6.777	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408880080	GZGZFQZGSHATOU-XZYGTATASA-N	654.602	7.719	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OCc1cccc2ccccc12	408887517	PAGXUTNWSVLNGA-LPYMAVHISA-N	608.863	7.621	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Br	408895565	NHUIIYVCUMXQOP-VCHYOVAHSA-N	648.251	6.485	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1	408900545	VYWLCOVCPFBYCA-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCC(=O)Nc1ccccc1	408944639	NBKIHAHXCSRDFJ-MBTHVWNTSA-N	536.382	5.375	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408954047	REWCLTZVLBJBIC-JAIQZWGSSA-N	613.737	7.191	50	40	KKGB	
O=C(N/N=C/c1cccc(OC(=O)c2ccccc2F)c1)c1ccc(OCc2ccc(Br)cc2)cc1	408957271	TVFHXKWLUUCIDG-KBVAKVRCSA-N	547.380	6.150	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)c(OC)c1	408958067	XINRADKZHFTWSM-NOLAYUPHSA-N	652.704	5.156	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1cccc(C(F)(F)F)c1	408963111	MQSUNJHEAXJLCS-KVSWJAHQSA-N	542.270	5.792	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1	408964395	RHYRSJUUXRPFRD-IPPBACCNSA-N	568.333	6.052	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408970582	IVNXKELIIKTCHC-BDJMIEHVSA-N	747.901	8.032	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408971274	IBAIHZWZDSBYAB-HUEHPZEESA-N	510.638	5.058	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Br)cc1	408982571	HYUDSMQTFKTCDO-ZDLGFXPLSA-N	546.248	7.198	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408989606	UHFPWQXMOSBGFQ-IUXPMGMMSA-N	627.693	7.693	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc(OC)c1OC	408995166	AIMKLELOXBLXOV-WCMJOSRZSA-N	622.428	5.303	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409046882	LFMYGFKOQTYUAC-JFLMPSFJSA-N	593.259	5.724	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccccc1	409049052	YAEUPNDLZCNJRY-ALQBTCKLSA-N	674.564	7.900	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1	409170875	WYPUJRPARJHCBT-AMVVHIIESA-N	646.336	5.197	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c2)cc(OC)c1OC	409218540	FSVUBDRTNNXFRF-UHFFFAOYSA-N	711.363	6.473	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409219305	LBSSJKDKLBXKQO-UHFFFAOYSA-N	709.303	5.904	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409222818	DCAXCOOVKONRGI-LPYMAVHISA-N	562.464	6.336	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	409224312	KEIQYMYENGXKPE-KUVPTRFSSA-N	591.023	5.144	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409227321	XWABAIAVGNLFKZ-MHWRWJLKSA-N	603.800	5.222	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1	409231460	KKQMERIVCHJJGZ-KQWNVCNZSA-N	562.464	5.521	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cccc(C)c1C	409251164	OUFPGSJPLFHZGR-BKUYFWCQSA-N	514.538	5.174	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	409265683	NTYHVWHPYNYSBN-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Sc3nc(-c4ccccc4)cc(C(F)(F)F)n3)o2)c1	409273684	KZSBVPUETLXKCR-CPNJWEJPSA-N	520.536	7.069	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)ccc1OCc1ccccc1	409309682	KWECYGLUKDTSEZ-FZPRHHONSA-N	594.451	7.222	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	409327541	UWZZOHMHCIKIFR-OHUYPAJKSA-N	549.454	7.314	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409335829	YTNBMTKVVORVIP-VQTJNVASSA-N	647.762	5.918	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OCc1ccccc1Cl	409362400	JHIMABLUZABJEB-WYMPLXKRSA-N	576.909	5.569	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Cl)cc1	409371028	FGWYOGKGIYCNNY-PPDIBHTLSA-N	589.726	5.751	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccccc4OCC(=O)Nc4ccccc4F)cc3)cs2)cc1	409381566	GUBZQYXARXSVAA-HQDYHJHZSA-N	579.657	6.783	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)cc1	409394704	DWDUHHNHKWXDFZ-UHFFFAOYSA-N	697.383	8.505	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409395509	ONDHJKWNWLPLNH-UHFFFAOYSA-N	856.534	9.364	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(OC)c4c3-c3ccccc3)cc2OCC)cc1OCC	409396259	IJVMWPLRGBMEHC-UHFFFAOYSA-N	651.716	7.031	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409396892	CNXQVOZFGLHDBM-UHFFFAOYSA-N	597.856	7.106	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409397003	DWVUWWIQIKIGET-UHFFFAOYSA-N	572.404	6.854	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397120	GMKBQJSEMVQTCW-UHFFFAOYSA-N	588.063	7.942	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)cc2OC)cc1OCC	409397615	LWMIJUAQKDMDJE-UHFFFAOYSA-N	612.082	7.277	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC#N	409404862	RDAXYMXZMBQFAU-ACXHZZMFSA-N	577.435	5.704	50	40	KKGB	
C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](/N=C/c1cc2ccccc2c(-c2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc3ccccc23)c1O)c1ccnc2ccccc12	675082928	HJVPMMQNVLOVDY-KWSJREQJSA-N	828.145	11.909	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccccc1C#N	1529548462	GYFUUGIILZYBHX-LVOLJPLZSA-N	697.011	5.438	50	40	KKGB	
COc1cc(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc(F)c1	1531386403	DPWWQUWTTSQBBI-VHFSBPNMSA-N	602.062	7.410	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)c1cccc2ccccc12	1857795266	ZEKRYLFTCRWHOG-WECIHKQLSA-N	521.666	6.739	50	40	KKGB	
COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OC)c1OC	1783398	RZBHNHZARILIQV-QGOAFFKASA-N	576.030	6.426	50	40	KKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2	2361186	ZBPSBVAZTGPQMA-GHRIWEEISA-N	543.472	7.696	50	40	KKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)s2)cc1Cl	2553731	BLYKEMMNZJPWGN-YDZHTSKRSA-N	500.023	6.820	50	40	KKGB	
N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(Cl)cc1Cl	3026124	IDEPQPGKOCFBMW-OAQYLSRUSA-N	505.455	7.375	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1	3168426	HWACZUISXQQVMI-LGJNPRDNSA-N	519.848	5.933	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	3299461	YWFDJIOUPNJEGQ-ATZGPIRCSA-N	560.595	5.614	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Br)cc1OCc1ccccc1Cl	4047764	GOJUWWIDGVRYEQ-WCMJOSRZSA-N	566.883	6.862	50	40	KKGB	
C[C@H]1[C@@H](OC(=O)CCl)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C	5733783	YJDLJJSTBAYZPA-HWCDEYNRSA-N	505.227	9.039	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC	9244059	XGBSBNIDFUVBAE-XMMPIXPASA-N	525.070	7.205	50	40	KKGB	
N#CC1=C(SCC(N)=O)NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H]1c1ccccc1Cl	18043789	VGFHRCYKIAITJE-HSZRJFAPSA-N	515.063	6.159	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1	28217952	WBFKTBPVZUHEHF-UVHMKAGCSA-N	517.807	5.528	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	33353484	UKTUNWNUWSCZRN-UHFFFAOYSA-N	537.648	6.678	50	40	KKGB	
N#C/C(=C/c1ccccc1)C(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCC1	33776667	ZOGAVVLNDGNPHF-SILNSSARSA-N	507.015	5.287	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(OCc2ccc(Cl)cc2)cc1	58871274	KROAXQOYHWCBKS-QXUDOOCXSA-N	521.016	7.415	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(Br)s3)n2-c2ccc(C)cc2)cc1	97959572	QAYDGAJQIYKDIZ-MXAYSNPKSA-N	542.484	5.318	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	97964212	YTKWWGSHQGKKMG-USKNDPDESA-N	567.985	5.209	50	40	KKGB	
O=C(N/C(=C/C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	97965055	ALCIZPKPJFFNDC-ZDNCSJAVSA-O	707.708	10.469	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)OCCO2	97965803	PHOFCPRROBQMRP-WOJGMQOQSA-N	559.338	6.364	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3s2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	97980647	MTTXHSVBTAICSN-MOHJPFBDSA-N	573.744	5.389	50	40	KKGB	
O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1	98001543	QSILWSBIIYLZGI-KVSWJAHQSA-N	638.110	5.073	50	40	KKGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1cc(Br)cc(Br)c1OC(=O)c1ccccc1	98001555	DABCQAJYSLXKSN-ZRGSRPPYSA-N	566.633	5.613	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	100055101	QSNLHENHJKJJRN-FDAWAROLSA-N	522.402	6.772	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c1	100125591	DRNGWHBQBJACAF-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	100227282	BHSDOUQZCFORFV-ALQBTCKLSA-N	610.107	6.111	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343476	LATXMWAWKMCUDN-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C1/C(=O)N(Cc3cccc4ccccc34)c3ccccc31)CO2	100804969	KTYKDMJNNSFRCX-IJVBRLQXSA-N	519.601	5.344	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)ccc1O	100853171	CEXXMABQOCJHIP-MNBJERMJSA-N	543.693	5.887	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	100991355	UJRQDKYJSGAQHE-HVBJHMBASA-N	542.875	7.020	50	40	KKGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(OCc3ccccc3Cl)c(OC)c1)C(C#N)=C(N)O2	101444333	RJGUNLUWLZBIIM-NDEPHWFRSA-N	563.098	5.348	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	103842181	JYIUWPGKGYDQET-XKZIYDEJSA-N	544.995	5.973	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	103843766	FXSYPUPWAXGQJC-JAIQZWGSSA-N	552.831	6.568	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882997	ZTMCNGWRHCECCZ-STZFKDTASA-N	581.854	5.845	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)N=C2CCCC(O)=C2[C@H]1c1ccccc1Cl	104117327	IVMGMHGWDTYHQH-QFIPXVFZSA-N	528.859	6.744	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)c1	104696688	PRGABQKYVKWKJA-SYECIKCMSA-N	536.701	6.249	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1	107989168	UIZZPANZNUCACR-UHBFCERESA-N	584.841	6.839	50	40	KKGB	
CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341711	GOPDWASBVUAPIY-HNNXBMFYSA-N	856.377	13.161	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)N1	150406773	GHMYRLZUAPGYTH-GDLZYMKVSA-N	686.643	6.468	50	40	KKGB	
CC(C)=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1[P+](CC=C(C)C)(c1ccccc1)c1ccccc1	261829817	SYJGUWGSEONNDL-UHFFFAOYSA-N	676.821	9.999	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408542587	MJTVSWUAVADBCJ-LSCVHKIXSA-N	600.219	5.733	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(Cl)cc1	408545440	YTPUNKMTYXTDMK-JAIQZWGSSA-N	559.787	6.685	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccc(Cl)cc1	408553574	OHIAUCIVEJRXPP-YBFXNURJSA-N	596.934	7.438	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408578615	ADCJUDXZYNBWHA-LZYBPNLTSA-N	581.193	7.158	50	40	KKGB	
CCc1ccc(NC(=O)COc2ccc(Cl)cc2NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1	408602558	DSCMLUPOTOJKIL-SFHVURJKSA-N	541.435	5.070	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1OCc1c(Cl)cccc1Cl	408606975	MTLNDTQSBJEBCQ-HNNXBMFYSA-N	518.372	5.216	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)c1	408640702	BNHWLQAKPMKJRR-SALHHSCVSA-N	779.265	6.239	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408710906	VUUKVNRHNKJSLU-KBKYJPHKSA-N	642.098	6.234	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)nc4sc5c(c4c3=O)CCCC5)cc2)cc1Br	408730706	HHLYOXGXUQJMAG-CCVNUDIWSA-N	551.466	5.169	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1cccc(C)c1	408751430	ZIWYNGCJQFPDEY-BIZUNTBRSA-N	559.460	5.731	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408753908	LBIARJBXVXGGOK-GDNBJRDFSA-N	684.262	5.284	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br	408762399	KEGLKBVDLOFPAQ-WZUFQYTHSA-N	519.020	6.463	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(I)cc1	408763098	HKWXWHRSZCCFMJ-MFOYZWKCSA-N	668.123	6.949	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(C)cc1	408775842	VJFJLQWABIXHLR-ODLFYWEKSA-N	542.348	5.872	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br	408792436	BLKOXEQVINBBSS-NYYWCZLTSA-N	563.029	5.616	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)cc1	408794367	IWIVCNHEQDORBF-MFKUBSTISA-N	541.445	7.298	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl	408798711	WSUWFPOUGNXSIT-GZTJUZNOSA-N	512.747	6.135	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1	408810950	VBMKVEVIEVHKHU-CJLVFECKSA-N	507.502	5.659	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc1	408819374	RPUFWQSIZYNQSC-RGXNXFOYSA-N	503.558	6.263	50	40	KKGB	
Cc1cc(-c2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc([N+](=O)[O-])c1C	408820526	WTPOSJKAWGDZHF-MZFJOGFUSA-N	518.573	7.002	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)cc1Cl	408821321	GEPGPAAKGRSUJI-CAOOACKPSA-N	592.273	6.906	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408823831	FMRUBQDLNABYHI-WSDLNYQXSA-N	628.339	9.012	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408825898	RYXHBOIYHSLJOM-OEAKJJBVSA-N	638.345	8.468	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)cc1OC	408832589	UWZZJJVNLZBTCN-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408832778	JANYLAQSGHFCPB-OEAKJJBVSA-N	638.345	8.468	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408836427	RBCCHHGHVYPBRJ-LPYMAVHISA-N	598.313	9.004	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccccn34)o2)Cc2ccc(Cl)cc2Cl)cc1	408837620	JXXNOTYSMZQENY-ZMGVVAQMSA-N	610.523	6.006	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccccc2)c1	408837680	LDFTYVXAMODXJS-XJECJHNESA-N	737.456	6.706	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1	408837742	MQPUWWOLXJEBKT-IHELAITMSA-N	676.795	5.592	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Cl)c(Cl)c5)cc4)cc3)cs2)cc1	408839401	RPLIHXXCNROJCI-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	408841609	LZONQELUZDVHMQ-KNBZMSCYSA-N	595.858	5.989	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2cccc(Cl)c2)cc1	408843200	RWOPAYWTLLFJCP-XZKBKLFHSA-N	619.143	5.250	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408844762	PHAHXLDTGORGLR-KCSSXMTESA-N	635.312	6.376	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408849549	ZFFIYZUQXUFJIO-SAEPALGJSA-N	668.016	9.466	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	408862527	ZVVVTRRRUMKLOO-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c2cc(C)cc(C)c2)cc1OC	408862863	MWWTYEPDGTUMFM-QXUDOOCXSA-N	617.724	5.254	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408867908	KPGOFFONOQUWHG-RQZCQDPDSA-N	531.874	6.400	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2cc(C)cc(C)c2)cc1	408871397	XZPDUCSVGVTVFE-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408872359	LRKDMODBEVWMNO-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(=O)(=O)c1ccccc1	408878121	WPVWCPJMPDZTOD-ALQBTCKLSA-N	687.012	6.434	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1ccccc1C#N	408879403	FTZDLZOGHBUBTM-FOKLQQMPSA-N	623.447	5.381	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1	408887613	PKNRLTARVPJOHU-GIJQJNRQSA-N	556.800	6.452	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2OC)cc1	408887973	VRJIXZYILIDTKR-VCHYOVAHSA-N	566.364	5.448	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(I)c1	408888564	XEBBWCKOWDTTNF-LICLKQGHSA-N	549.195	6.723	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	408890764	YTGFWHDQGRKQMK-MUFRIFMGSA-N	517.379	5.902	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c(C)n1-c1ccc(Cl)cc1	408925276	QWGIRZWSMYLMLC-GZTJUZNOSA-N	501.755	5.898	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc(Cl)cc1	408954427	ZHTHLYVHFQRWSO-HHHXNRCGSA-N	844.897	6.013	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1)Nc1ccccc1	408970227	CYAMKEYLAHDYIR-TWKHWXDSSA-N	536.470	7.110	50	40	KKGB	
Cc1ccc(OCCOCCOc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Cl)cc1	408971179	CWPXFVQMLNUFAS-PXLXIMEGSA-N	525.432	6.630	50	40	KKGB	
Cc1cc(C)c(COc2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)c(C)c1	408973167	ZMAHCEAJUXBZKZ-GTRBLRBASA-N	598.571	6.946	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408998532	RCOLGNJJGWSIAS-OHUYPAJKSA-N	669.985	5.461	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409023529	XYVGJVGCSQTWNU-NUJZUDFISA-N	565.380	5.022	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1	409070647	OCQWYSHJVDDWPH-GZTJUZNOSA-N	652.850	5.053	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)Cc2ccc(Cl)cc2Cl)cc1	409071086	OIVLIOHGIVZFCL-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)NC(=O)C[C@@H]1c1cccs1	409123686	HKMCUAZAWGLBNK-NSHDSACASA-N	516.364	5.240	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	409217667	RHPBHNWRQJXBBA-ORBVJSQLSA-N	548.706	7.775	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)c(OC)c3)c2)cc1OCC	409219721	UFMWKVLGQXQOKR-UHFFFAOYSA-N	595.652	6.036	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1ccc(Cl)cc1	409221929	BQUSHDNKRKKUBO-WVLDPRMZSA-N	576.996	5.215	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	409225255	NTPVEJIPLLLYBJ-ISEVBUBHSA-N	677.895	6.654	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409235868	CVUOUCCMQNMCID-PPDIBHTLSA-N	554.641	6.276	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1I	409240144	ROVMXNQMQNRHJM-AYCSXLNKSA-N	584.195	5.245	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409256922	QRHMLLGPPSZWOO-UNOMPAQXSA-N	524.404	6.264	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl	409257309	SAGYTOVPYCFNMD-MFOYZWKCSA-N	559.247	6.628	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409258615	UXCQAHJCTJUOCG-LICLKQGHSA-N	542.773	6.101	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409266794	RGJYKYQYMULTGP-VHFSBPNMSA-N	684.616	7.723	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409273550	ZASOKOTZXHJEMZ-ODLFYWEKSA-N	524.404	6.264	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)NC(=O)C[C@H]1c1cccc(Br)c1	409316988	NYWKOCCXTLWLKI-AWEZNQCLSA-N	544.780	5.832	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OCC	409336511	SZULBIMELJICHD-FDVSRXAVSA-N	653.311	6.203	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1	409359233	AMPJUXDHSNHBDF-MUXKCCDJSA-N	515.835	6.000	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409371724	LHRFBTYTYJBDPQ-ZDLGFXPLSA-N	587.345	5.819	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2Cl)Cc2ccc(Cl)cc2)c(C)c1	409373194	SETSGVYKGISDKR-MUXKCCDJSA-N	518.466	5.260	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)Sc1nc2ccccc2s1	409383987	UBMYIARWJDPLRP-WOJGMQOQSA-N	558.320	8.057	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2s1	409387867	XMIWKHRNSSBNEK-NUGSKGIGSA-N	505.295	6.048	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396900	CRDKDXDRRJVRFX-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397191	HGZLBIIMHUWWAR-UHFFFAOYSA-N	616.899	7.633	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409399091	XSFWGBBOSJVRPL-UHFFFAOYSA-N	567.645	7.678	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc5c(c4)OCO5)c(OC)c3)[nH]c12	409399281	YWAMTNVSEAIWEJ-UHFFFAOYSA-N	596.039	6.771	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1cccc(C(=O)O)c1	409399900	AFCIXDKPXTUUFT-ADJDCTSUSA-N	751.428	7.841	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)Nc1ccccc1C	409399967	APAGLISWPNFHIO-KOKCXWAISA-N	732.575	6.969	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3ccc4c(c3)OCO4)o2)cc1	409405405	TYHRBFDOSUSLDK-WBIBEUCMSA-N	606.679	6.404	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccccc1F	409405697	UROFIJQOYBTTQY-KOKCXWAISA-N	660.540	7.909	50	40	KKGB	
Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc31)C(C#N)=C(N)O2	2402168	IOZKAGHZVUDPAW-NDEPHWFRSA-N	528.399	5.407	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C/c3ccccc3C(F)(F)F)c3ccccc3n2)cc(OC)c1OC	3200655	KMIYICFPZPOJCG-IBBHUPRXSA-N	509.484	5.710	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC2CSC2)cc1	8439803	VFRNVDZUZJCRQQ-VVEOGCPPSA-N	584.041	5.199	50	40	KKGB	
C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)c(C(=O)OCC)c1C	9424445	FUCRYEXIYBLUFW-LGMDPLHJSA-N	509.609	5.685	50	40	KKGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	20233131	HPHNAWWGGRKLLT-JFLMPSFJSA-N	520.438	5.126	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1cccc(Cl)c1Cl	59335931	WGEZPOMOLRYHJZ-DHZHZOJOSA-N	507.127	6.470	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSCc2cccc(F)c2)cc1CSc1nc(C(F)F)cc(C)c1C#N	97965685	YZPHJNGWZQXCRI-KLPHOBTLSA-N	544.624	6.023	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H]1c1ccccc1Cl	97984535	XCGKABZEXCGNLA-LJAQVGFWSA-N	625.606	8.965	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999749	DUQWTKOBPSIJKZ-YTTGMZPUSA-N	595.721	6.380	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3Cl)nnc2-c2ccc(Cl)cc2)cc1	100853360	INTMBTYRCWCFNT-STBIYBPSSA-N	540.476	6.272	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ncc(Cl)cc1Cl)[C@@H]2Br	100867871	ZQBBBBJIVCDGIO-ONERCXAPSA-N	549.916	6.013	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C)=C(C#N)[C@@H]2c2ccco2)cc1	102760560	ALBFNWYZUXZKEK-HHHXNRCGSA-N	556.644	5.471	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	102941205	ZUMRGGAETKVOAT-XSFVSMFZSA-N	531.597	6.564	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	103889794	IUMWHHUIJPAVJY-CHHVJCJISA-N	556.660	8.087	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc2ccccc12	103890844	YJDBYJVDIASJTJ-HAHDFKILSA-N	592.320	8.762	50	40	KKGB	
FC(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341977	UQKPUIZKFUNQKP-REOHCLBHSA-N	642.009	7.752	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	150385641	BOPZHJXOUVNMIL-AABVJFSESA-N	623.484	6.765	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	226691451	YFWOQBGFDUWONH-SDKPVFNBSA-N	564.085	5.819	50	40	KKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3CC[C@H](Br)[C@H](Br)CC[C@@H]3[C@@]1(Cl)C2(Cl)Cl	256454149	XRFONNJUMOCNHA-HBONYSFRSA-N	540.765	7.165	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(I)cc1	408553808	PQCDRLGSJJWUAG-DEDYPNTBSA-N	609.489	6.627	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408567955	HCRSSZGFKWDPJV-CHHVJCJISA-N	747.087	7.159	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(Br)cc1	408570166	SHUMYFZXIHBCKL-PXNMLYILSA-N	604.217	6.721	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1	408599458	VDBQFUUVMAMSRA-DEDYPNTBSA-N	506.425	6.960	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408650077	ZICSTNBAJYVYRO-NGSHPTGOSA-N	719.770	6.203	50	40	KKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCc1cccc2ccccc12	408691686	LQFDVZGDIABESX-BKUYFWCQSA-N	524.418	7.147	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1I	408721972	BVJYBPOHLMRQHD-LSFURLLWSA-N	601.009	5.531	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl	408725939	NGFJHJSRGMQJBN-ZDLGFXPLSA-N	501.797	7.170	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1	408728122	HWRUCVFHLHBKTK-ZCTHSVRISA-N	548.064	5.816	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(I)c(O)c3)c2-c2ccccc2)cc1	408739264	APMAQMXIALIKNI-XICOUIIWSA-N	655.492	7.062	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2-c2ccccc2)cc1	408741672	RMCQJBNAXYJURV-JBFMKSPFSA-N	577.684	7.834	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(C(=O)O)cc1	408746068	WZPWQIRSRWQLRL-JAIQZWGSSA-N	521.367	5.589	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1I	408747778	SVUDKBBYZKJRJQ-GATIEOLUSA-N	718.198	5.286	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1cccc(F)c1	408750385	MDZQSINRRBGORI-KCSSXMTESA-N	610.423	5.404	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)cc2Br)cc1	408761821	LUZDCXXJXPCFRP-HYARGMPZSA-N	547.430	6.224	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1	408761836	LXYZIGXLKLYQGI-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC	408764980	OJLJVZPOPDDIKJ-NVNXTCNLSA-N	552.219	5.098	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408775427	HEEMSLALHLOHQM-QNGOZBTKSA-N	529.553	6.059	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408787556	BUDMFKDRRSYFFY-CAOOACKPSA-N	591.245	7.187	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c(C)c1	408793294	DTWVNVQYQAWXKL-YDZHTSKRSA-N	590.315	8.106	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Br)cc1C	408794719	BEMWKOSPPAHMLI-SRZZPIQSSA-N	509.831	7.152	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408797373	RLBBICVERXZKDY-GIJQJNRQSA-N	590.257	6.977	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1Cl	408807917	PEOJRYGEANPZJS-GIJQJNRQSA-N	516.222	7.189	50	40	KKGB	
COCCNC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408816839	SMDJMNJCUPGCTB-YBFXNURJSA-N	638.243	5.298	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccccc2)c1	408822671	RGDJUPNQUAFKMA-COEJQBHMSA-N	513.619	5.441	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2cc(Cl)cc(Cl)c2)cc1	408827929	HZTXWEKIXXZXPX-KKMKTNMSSA-N	528.820	5.440	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C	408830389	PGLIYDDHBVKBOF-AFUMVMLFSA-N	636.373	9.076	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc(Br)cc1	408830469	YKNPTHXXWOONTF-BUVRLJJBSA-N	788.274	8.919	50	40	KKGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)CC1	408832721	ILOOOWHNDQUAHV-QJOVZPHJSA-N	698.629	5.093	50	40	KKGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408833059	ZBGCZNDZNPQYHP-FZZFWNEQSA-N	564.263	6.516	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCC#N)c(I)c4)cc3)cs2)cc1	408839416	RUPZRDGLTIKMGE-AMVVHIIESA-N	719.346	6.738	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408839602	UPOBETGDSDJKSK-XJECJHNESA-N	718.573	7.516	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)cc1	408840428	YRBUIRVNFAZABE-KVAAJVFYSA-N	631.983	8.621	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC#N)cc1	408847605	NSJVFMDLUPXYAR-YKQZZPSBSA-N	513.395	5.882	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(I)cc1	408856596	JGGKZRALEKGEGK-MUXKCCDJSA-N	619.253	6.542	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408856653	CYGYXAZCBBITEM-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1Cc1ccccc1Br	408875437	FOYFKUZWXATDNA-UDWIEESQSA-N	601.282	6.897	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccc(Cl)cc1Cl	408880646	HQPIRUIFGMKRDM-LZYBPNLTSA-N	522.215	7.433	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2Br)cc1	408887491	RATVDWYTQGTJCT-SFQUDFHCSA-N	576.266	5.833	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1cccc(I)c1	408891375	PPEFFFRPHDHRNB-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)c([N+](=O)[O-])c1	408894026	IHRMDVWPCCEWHY-OQLLNIDSSA-N	568.296	5.820	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccc(Cl)cc1	408894589	ISXKXODCTAFNNZ-RQZCQDPDSA-N	623.672	6.840	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1cccc2ccccc12	408896627	SNWRWQRJCQYSPR-KEBDBYFISA-N	688.305	8.183	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408903975	BYIUUCWRXSDJJY-MBTHVWNTSA-N	530.493	5.329	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1cccc(C)c1	408905130	UCFJQCASFOAYTK-MUXKCCDJSA-N	575.301	6.962	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(C)c2)c(Br)c1	408940815	CZQQDGPFIDHULE-MUUNZHRXSA-N	686.028	5.875	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408949045	QHBHWLHMDHWKID-NDEPHWFRSA-N	706.446	6.220	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC(=O)Nc1ccccc1	408954538	XQDZVAWGXRESHA-NUJZUDFISA-N	615.278	6.138	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408957589	VFAAYBOFVKLZJL-AIWXBOCESA-N	659.262	5.659	50	40	KKGB	
O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1cc2cc(Br)cc(I)c2o1	408960569	MVUNJPAKFOIZNA-ZMOGYAJESA-N	552.210	5.554	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C#N	408964563	VHABDRMKMCSZKR-GNCKLDPMSA-N	645.543	6.098	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408968630	YAGYIQDERIWZSB-XAZZYMPDSA-N	578.385	5.956	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)c1OCc1ccc(Cl)cc1Cl	408973992	SZCVGFKSLMXCTL-FBNOCWMFSA-N	526.420	5.047	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408981502	BKRHMAMDYJXNHT-IDUWFGFVSA-N	580.693	7.851	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2cccc(C)c2)cc(OC)c1OC	408997167	LKYIJWVJHDZIHZ-HNSNBQBZSA-N	567.598	5.256	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	409012557	IVHKHNFILXCHPS-UCZCKNJVSA-N	599.515	5.459	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)c1cc2cc(Br)cc(I)c2o1	409018814	ZJMNPUCXFNHALZ-YSURURNPSA-N	614.031	6.586	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@H]23)o1	409032204	LORDUXATMLWHSG-IPWBYJAGSA-N	580.984	5.116	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)c1	409040541	GOJDNGUVHWGARK-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1	409045362	GMKLLVOXRORNIG-XSFVSMFZSA-N	534.410	5.719	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1)C(=O)NCc1ccccc1	409045590	ZPWQTBZXQDZAGP-VXLYETTFSA-N	560.673	6.667	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	409045699	HFLYZJVJAPOQKR-GZTJUZNOSA-N	510.775	5.666	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2ccc(I)cc2)c1	409062837	BMVIFJXXEFTZCD-LFVJCYFKSA-N	579.482	6.879	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409071211	PXHFRKKBOJKCIL-PXLXIMEGSA-N	517.969	6.500	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cccc([N+](=O)[O-])c1	409176552	RBOFANYBFDFLSP-NSKAYECMSA-N	696.066	6.454	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409189393	KLTHNECIFQSSNX-KKMKTNMSSA-N	534.769	5.032	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409209034	FBOHDSXYGUNHBI-IUXPMGMMSA-N	581.193	7.158	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409219295	PEYZYQOBZKUSAN-XDHOZWIPSA-N	597.409	5.267	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1	409219362	LWLIMNQXROVDID-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)cc1	409219701	TZIZYHOLSDXFED-WOJGMQOQSA-N	524.802	5.974	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OC(=O)c2ccc(Br)cc2)c1	409225535	PJCGAYTZLKZXKK-UHFFFAOYSA-N	606.860	6.347	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409233195	RSKRWTGQBLVLEN-MTJSOVHGSA-N	529.851	6.890	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1	409237907	XWCOCNROBDIOKE-IWEBCOIVSA-N	585.252	6.483	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)[C@H](O)c1ccccc1	409248959	GECOLLOZEKYODZ-SBKPSYLISA-N	587.095	6.281	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cccc(OCC(=O)Nc5ccc(C)c(Cl)c5)c4)cc3)cs2)cc1	409252792	DWHRTCKSIAQRKI-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409260187	MEWYLXFCRZVLEJ-XKZIYDEJSA-N	562.022	5.705	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1OC	409310925	XIKRYCCJKBDULJ-MUXKCCDJSA-N	560.832	5.291	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C)ccc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409314823	HPGYHNPGESXDJM-FGZHOGPDSA-N	562.475	5.119	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OCc1ccccc1Cl	409366783	YCWBLIFMBOLYIF-DHRITJCHSA-N	543.936	6.117	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)cc2Cl)Cc2ccc(Cl)cc2)c(C)c1	409368510	ZWDPDLGRVWZNAB-DBFSUHOCSA-N	552.911	5.913	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(Cl)ccc3OC)c(-c3ccccc3Cl)c2c1	409395756	RITVFVBAOVTKKF-UHFFFAOYSA-N	667.343	7.905	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cccc4c3-c3ccccc3)cc2OC)cc1	409398567	UQROSUPCRMCEJH-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccccc4c3-c3ccccc3)cc2OC)cc1OCC	409398677	VDOXCWZQBQFZBT-UHFFFAOYSA-N	577.637	6.624	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(CC(=O)Nc4ccccc4F)c4ccccc34)o2)cc1	409402315	JSOUIQPTSJVSKJ-KOKCXWAISA-N	603.654	6.763	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(F)cc1	409402696	KOTHXCDFGJEDSK-UHFFFAOYSA-N	602.062	7.410	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O	409406683	CAXHJOXDSBUFKR-COUFLKFZSA-N	561.510	5.381	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409407761	HJVPJUWDXXDHFT-KOKCXWAISA-N	646.527	7.955	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	1529546903	ICZWFCAUIIBAMS-XINRNAFCSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	1529547986	USHSYTCYWWPCED-MWKDUONYSA-N	657.576	5.466	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(F)c3)nc3sc4c(c3c2=O)CCCC4)cc1	2211768	WTILILJWNQMURK-CCVNUDIWSA-N	506.628	5.016	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	6445797	IZYGMLSUEPIQQQ-LVTPPWGZSA-N	525.970	6.240	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1	8837617	HTYGLNOFNQXQHU-RDRPBHBLSA-N	525.122	6.192	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/C(Cl)=C\c1ccccc1	13597546	WZCVUJGJGJPJGH-XNBSKVPHSA-N	508.434	6.062	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3Cl)c2C)c(C)c1	20243656	ZDKGWCNXPHRGRY-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(C#N)cc1	20760957	FMEKBNOXDWFNJB-CCVNUDIWSA-N	512.791	5.716	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1ccc(Cl)cc1	58853970	NVDSEXQNCYZALE-QNKGDIEWSA-N	526.084	5.834	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1	58928015	YPBWBGVCVGEAOD-HNSNBQBZSA-N	510.037	6.241	50	40	KKGB	
CCOC(=O)CCC(=O)[C@H](Br)[C@H](Br)[C@H](Br)[C@H](Br)c1ccccc1	68564015	MEGLECGKMOXAKM-QXSJWSMHSA-N	577.933	5.326	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	97972285	IVSAOYOKGQGAQG-CWOYTDNNSA-N	577.710	5.644	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999829	XWOMXRZUEIPTSN-XIFFEERXSA-N	609.748	6.688	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2c(C)cccc2CC)=C(C)N1	98048579	BBVWTOVKZZFYBH-MUUNZHRXSA-N	556.688	6.256	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCOCC1	98050616	RPKFLXZAMGAPFG-TVMVJRKWSA-N	628.976	6.868	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl	100178567	DCLZYQJVGHEMKU-NCAUGAEKSA-N	552.208	5.836	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl	100394970	FGLFDHZGWFMNKM-ATGXUYTOSA-N	581.132	5.270	50	40	KKGB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(/C=C(\C#N)c4nc5ccccc5s4)cc3)cc2)C1	100816528	JZHXFMAWMIPFBY-CHAKDGRESA-N	557.697	6.246	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc(Br)c1O	100851495	DINSQSQMALFXID-WKIKZPBSSA-N	578.920	5.823	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(Br)cc1	100852817	IRDHESCSBGEWEV-MYYYXRDXSA-N	543.537	6.379	50	40	KKGB	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4s3)c2)C[C@@H](C)O1	100900617	GRCHLKQVNWMTCX-LKAJHSILSA-N	581.723	6.011	50	40	KKGB	
Cc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCOCC3)o2)cc1	101412789	FJCGPUPBERXVMC-UHFFFAOYSA-N	505.578	5.106	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@@H]1c1ccc(C)cc1	102384381	PSHYACFJFNMWFJ-YTTGMZPUSA-N	585.729	7.490	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	102808083	OBDPIMDNCBYJIO-HHHXNRCGSA-N	529.065	6.355	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	102810192	IFMLMWGOQMLUOR-SANMLTNESA-N	533.028	6.186	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	102990226	KYOWWTKMBRRGFK-QGOAFFKASA-N	522.914	6.766	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	103845669	WYIBDHTWBUXELR-MTJSOVHGSA-N	579.292	6.538	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)c1	103882871	JBJJTLAFBALBBR-HAHDFKILSA-N	595.335	6.355	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	104403000	UONONTDNSPEFOI-RWPZCVJISA-N	578.834	6.085	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	104704574	KTCNBBHKWRZRQI-STKMKYKTSA-N	558.635	5.122	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	104821729	CVHOOWABYHAUOD-WMFSDKRHSA-N	575.452	5.752	50	40	KKGB	
COc1ccc2nccc(C(=O)CC[C@H]3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)C[C@H]3[C@H](CBr)CCBr)c2c1	150378858	UQWTXUVZLPAUIV-HEKZAOSPSA-N	661.391	6.689	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	150385253	RIYQUCUILHBSMF-QLQYKETESA-N	631.585	7.560	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	150490706	YQXKYDKLLLLIQI-KBVAKVRCSA-N	654.543	5.427	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)c(C)n1-c1ccccn1	209532494	KZBRHXWUVWZOOX-OPEKNORGSA-N	516.193	5.524	50	40	KKGB	
O=C(Nc1nnc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@H]3Br)s1)c1cccc(C(F)(F)F)c1	255004039	KZQUGOZMDNOEQK-WZGPROSRSA-N	569.472	5.938	50	40	KKGB	
COc1cc(COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2)ccc1OCc1ccccc1	408539003	DHVXZASLBZSJNC-YKQZZPSBSA-N	511.534	5.525	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)ccc1OCc1ccccc1	408539255	USYFDTXHRGMGOG-QRVIBDJDSA-N	593.894	8.359	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(OCc4ccccc4)c(OCC)c3)cc2)cc1	408540915	WXYHZVUJSUFUFK-NHYZDEDTSA-N	536.672	7.350	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(I)cc1	408554595	RZMBHENXQQFUCQ-VCHYOVAHSA-N	721.358	6.841	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408570698	XQWLUQOMFAGPGU-PXNMLYILSA-N	513.285	6.089	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Br)c1OCc1c(Cl)cccc1Cl	408611670	RNRGLMHNGNFAOR-LGXUHMPSSA-N	545.261	5.098	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)c1	408639212	WLNLTCIJQSFLJF-AMGIVPHBSA-N	552.042	6.826	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408643799	QAHBCHQSCNGVPI-HNNXBMFYSA-N	664.112	7.396	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408655237	GQJOUGZDRMVMBU-FWEDZOCSSA-N	673.185	5.687	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408689596	YRMLSJOGQIHTAZ-ZYGGUILKSA-N	623.556	6.126	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1cccc(Cl)c1	408710683	FCXGPLSMNJKSCC-XODNFHPESA-N	596.703	6.615	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1	408711634	CHIAPIYIGNEGAO-QRQIAZFYSA-N	511.416	5.518	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	408720081	RQZFUEADULMZHY-UZWMFBFFSA-N	622.541	5.772	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	408726331	LNHKBICLJVIBHL-MZFJOGFUSA-N	578.090	5.658	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccccc1	408743861	VTSYKHIPARVUQH-UNOMPAQXSA-N	524.314	5.114	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1	408745084	PGWBNBILOGTHJG-ZDLGFXPLSA-N	652.124	7.249	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408747341	MOHYIXOJYBEEEF-YVLHZVERSA-N	587.224	6.253	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(I)c1	408754092	IKGIMGTWYRNFRP-SFQUDFHCSA-N	528.733	5.709	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1cccc2ccccc12	408764801	NGPFVJVQOPEHLZ-MFKUBSTISA-N	588.445	6.645	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	408786282	OGWOJPBYJOASLF-ZCTHSVRISA-N	531.600	5.739	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccccc1Cl	408786343	HTIMLZMTNQDVIE-MOSHPQCFSA-N	601.872	6.534	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408794159	ICDKQRMGCYNQJY-GZTJUZNOSA-N	593.646	6.832	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1I	408798746	WUQZUNYGEIZWRE-CXUHLZMHSA-N	583.220	5.104	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(Cl)c1	408802329	ZDXDLMLNXOUMDD-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1c(C)ccc2ccccc12	408807909	IHZRLRUSFPWHLQ-LPYMAVHISA-N	501.413	7.888	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c1	408812591	NLTPXUUSNCEKQO-RGVLZGJSSA-N	540.255	6.953	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408812917	XOKKGNYCFAXOPH-HZHRSRAPSA-N	571.471	7.443	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3Cl)cc2Br)cc1	408820295	WRCREBABFTZSOS-JAIQZWGSSA-N	541.829	5.922	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccc(C)cc1	408820879	ADGDBDVIHOFAHT-QRVIBDJDSA-N	535.438	5.967	50	40	KKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Br	408835574	OBMSCNVGVNCMPY-YBFXNURJSA-N	560.275	7.668	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1cccc2ccccc12	408837056	YJLXCJLVTSOVMT-ZTKZIYFRSA-N	589.091	8.596	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2cccc(Cl)c2)cc1	408838567	YBEGZTQTYNMPDY-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1O)C(=O)Nc1cccc(Cl)c1Cl	408851637	DWCNBOQQYPGSCV-WTKPLQERSA-N	584.966	5.454	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(O)c([N+](=O)[O-])c2)cc1	408852184	JFHRNWHHNHDLEM-DICXZTSXSA-N	566.355	5.435	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)cc1	408855789	FEWKDQJVQLZHSB-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
C=CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1	408859593	YLDITIHLKVQPRN-NHYZDEDTSA-N	528.656	7.189	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1	408860109	SFKQQDMQYHIVFM-FABQOPTDSA-N	703.011	6.053	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2cc(Cl)cc(Cl)c2)cc1	408860360	TWOPVBJQMIGNBO-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1Br	408890963	JDLWHPZTBAARGW-LZYBPNLTSA-N	611.117	7.652	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OCc1ccccc1Cl	408892981	DQJMHNGJBAXHFK-ODNPBWNPSA-N	691.050	8.306	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc(C(C)(C)C)c1O	408897529	XOKBJKYKAPTBMU-QXUDOOCXSA-N	509.694	7.073	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc2ccccc12	408898109	KPTHDZYUZRWKSM-OEAKJJBVSA-N	571.427	6.824	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc(Cl)cc2)c(OC)c1	408948226	CJCBCXOXBUFQPZ-VVYBVRPNSA-N	858.855	5.857	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2F)c(OCC)c1	408953293	XJGADLLWCPQXJP-LJAQVGFWSA-N	746.599	5.293	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Br)cc1	408954580	RQVAQBSGHVKECX-XKZIYDEJSA-N	578.894	6.827	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c(OC)c1	408957519	UTQPMNVAXNUASS-PMJAWKLHSA-N	893.300	6.510	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408972522	UUQXAGJWEMTKAA-OFGWUUMASA-N	516.425	5.622	50	40	KKGB	
CCCCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408974468	ZMAPEZGXKLOOEV-DBESNCCHSA-N	601.369	6.383	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	409027251	CHYUJNVHOXXXKV-IPPBACCNSA-N	584.909	5.541	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)o1	409041739	JLRZXDNUBFNXEM-YCPBAFNGSA-N	561.057	6.763	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)c(C)c1	409047686	PUCXBANOFRPEOV-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1	409049087	WCVCIXVLCZHCRJ-VCHYOVAHSA-N	649.133	6.885	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OCc1ccccc1C#N	409059190	VDYTTWMTKLUWBX-XODNFHPESA-N	512.791	5.634	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)c1nc2ccccc2[nH]1	409064704	FLCRKCKFDPKJDN-NTEUORMPSA-N	504.782	6.355	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)c1	409083635	LEWYKBZHXHTELF-LGJNPRDNSA-N	595.231	5.414	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(I)cc2)c(Br)c1	409139416	NLBWEKLHPMKRHZ-QFIPXVFZSA-N	575.200	5.556	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1C	409151425	BGPLFQOQPQKDKK-XKJRVUDJSA-N	563.825	5.070	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	409181468	BAKCHIDTNLWESF-PKXDCDSOSA-N	651.473	5.333	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NC(N)=O	409221165	LVJCMDFUQSKRAH-JYOAFUTRSA-N	548.018	5.199	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2ccc(Cl)cc2)cc1	409222472	CYLWLIQFHZHSSH-XXKYAXTBSA-N	534.956	5.225	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccccc4)c(OC)c3)c2)ccc1OC(C)=O	409222481	DEKKJHZITJTJQB-SCPBZUFKSA-N	607.619	5.264	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)c1ccc(Cl)cc1	409227267	UUQCVANTIVPZBM-GFBPBTGYSA-N	546.026	5.302	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1	409227695	ZWTFZFXDZWBJNB-QMRORBIVSA-N	579.962	6.903	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409251906	AHNNOVBOPYDCTB-LPYMAVHISA-N	562.464	6.336	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)c(OCC(N)=O)c(Cl)c4)cc3)cs2)cc1	409257115	QPDPICJWKGAJGY-FTCYSYDXSA-N	554.459	5.797	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409265839	ULZZURCONLNSPQ-MBTHVWNTSA-N	571.415	5.088	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)ccc1OCc1ccccc1	409311600	BGFGWPZFDAGRLM-YKQZZPSBSA-N	551.020	5.459	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C)cc(C)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409313976	RGRBRLWSOIHORY-FGZHOGPDSA-N	562.475	5.119	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)ccc1OCc1ccccc1	409316854	MUNQCUHLWPXVAZ-WBIBEUCMSA-N	674.389	8.295	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)ccc1OCc1ccccc1	409327309	SCHFQKQQVFUBCZ-OHUYPAJKSA-N	679.480	7.198	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCc1cccc(Cl)c1	409331404	CXYPITBIWWULAF-MUXKCCDJSA-N	594.833	5.703	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(I)c1OCc1cccc2ccccc12	409334469	LWGVNYSHBSVTER-FDAWAROLSA-N	594.449	6.124	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OC	409334475	LZWWNEQMHSQYJQ-VYYCAZPPSA-N	597.871	5.050	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2Br)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409374270	ZVCYXRSWHBGFHX-DBFSUHOCSA-N	597.362	6.022	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409383653	ZBMWCKVTBIXEHG-LDADJPATSA-N	568.399	5.559	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccccc1F	409387190	UPMSJSNRCCMUML-XODNFHPESA-N	619.412	6.295	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409394536	BVTMDLOKHRECAC-UHFFFAOYSA-N	697.369	7.913	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)cc1	409395097	JWUZXKFQNVJCBH-UHFFFAOYSA-N	656.334	7.523	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)cc1	409395485	OEGHDMQPUQEZSI-UHFFFAOYSA-N	542.422	7.433	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396429	QALXDRDOXXSGHG-UHFFFAOYSA-N	631.010	7.761	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397359	IZILBXWHGWREPR-UHFFFAOYSA-N	610.066	7.161	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cc(C)cc4c3-c3ccccc3)cc2OC)cc1OCC	409398160	RHBTWEQQAOFWKU-UHFFFAOYSA-N	605.691	7.241	50	40	KKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409400218	CBSAEWLKCSQONN-GYJUCFALSA-N	598.925	7.623	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409406218	WHHQBCRJICFOCT-PQKVGRGHSA-N	626.713	7.509	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1cccc2ccccc12	1529548728	MWBFGHFVVFFFAM-ODZZBMNLSA-N	722.061	6.720	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(C(=O)OCC)cc2)c(OCC)c1	1529549071	SHMJNUBSFQOCNL-OPKXNULSSA-N	800.672	5.331	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)CC1=C[C@@H]3O[Si](C)(C)C(C)(C)C	1570001673	CNBLTHBPVHYRAS-SSUSLUFGSA-N	514.911	9.597	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1	1252060	NPBQRKLFHIKGCT-MHZLTWQESA-N	545.064	6.055	50	40	KKGB	
O=P(C(/N=C(\Sc1ccc(Cl)cc1)c1ccccc1)=C(Cl)Cl)(c1ccccc1)c1ccccc1	3138994	OQZFLGHRGHCBDE-QVTSOHHYSA-N	542.855	8.497	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccn2c1C(=O)c1ccc(F)cc1	3281742	FDIZELBEOWBZGQ-ATZGPIRCSA-N	510.544	5.928	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1Br	4082550	USYBSNRSCXWAPR-UXHLAJHPSA-N	579.520	5.587	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccccc1Cl	9428441	KFZMMVFTAGGTJB-MUFRIFMGSA-N	523.083	5.612	50	40	KKGB	
N#Cc1ccc([C@@H](Cl)[C@@H](Cl)c2cccc([C@H](Cl)[C@H](Cl)c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	68563538	TYWNYRTWAKWVCN-CJRSTVEYSA-N	564.212	7.766	50	40	KKGB	
CCCCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3ccc(NC(=O)c4ccco4)cc3)c3ccccc3n2)c1	97965586	HSJMHMCJRYTNAO-HPNXWYHWSA-N	546.627	7.080	50	40	KKGB	
C[C@H]1Cc2ccccc2N1P(=Nc1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccc(Br)cc1	97983124	PTKXUVMDAHITOM-IBGZPJMESA-N	645.173	8.824	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1	100062261	SNBUDQAOOIWXDC-LGJNPRDNSA-N	534.781	5.605	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	100123640	ZFBZUOHGDVRHTP-STBIYBPSSA-N	610.490	5.110	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100240243	WKKPFQMQXHQQGA-AJBULDERSA-N	544.677	5.147	50	40	KKGB	
O=C(COc1cccc2ccccc12)N/N=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	100432517	IGGOIFSARJMSMG-FZPRHHONSA-N	604.669	6.523	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3Cl)n2-c2ccc(C)cc2)cc1	100847604	TYXVRICIKZAMIU-RHANQZHGSA-N	540.476	6.191	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(Cl)c(Cl)c3)n2-c2ccc(C)cc2)cc1	100861028	YSXVQNTTYBCRHH-RHANQZHGSA-N	540.476	6.191	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC	100987652	FBRIWUSWHXRPRS-UDWIEESQSA-N	578.056	7.919	50	40	KKGB	
CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)[C@@H](Cl)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1	102055932	YZVOEABPSWUZEH-WJOKGBTCSA-N	630.222	9.152	50	40	KKGB	
N#C/C(=C(\O)CSC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1nc2ccccc2[nH]1	102650809	MOGJASDNVKWKAM-WNAAXNPUSA-N	525.703	5.781	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528641	UNTTXCCAAMIBCF-IBGZPJMESA-N	612.443	10.910	50	40	KKGB	
COc1cccc(/N=N\C(=N\NC(=O)c2cc(Br)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2OC)c1	104316830	GGCOMEPMRIUEQP-VGADOPFUSA-N	604.465	5.681	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(C)cc2)cc1Br	150462975	RLFNMKOCDMNDBN-VTNSRFBWSA-N	688.442	6.282	50	40	KKGB	
CC(C)[C@@H]1COC(c2ccccc2P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=N1	211077670	VHJNWRXTQCCFOR-QFIPXVFZSA-N	645.424	8.321	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)CCC)CC[C@]4(C)[C@@H]3CC[C@]12C	253499491	ILSFDWKMTIXYBP-FOMZMZOFSA-N	521.295	10.352	50	40	KKGB	biogenic
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)CCC)CC[C@]4(C)[C@H]3CC[C@]12C	253499492	ILSFDWKMTIXYBP-LBHQMCJVSA-N	521.295	10.352	50	40	KKGB	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](/N=C(/N[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)SN(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)CC2	263599170	IQLRGRUSAKYYQG-OCDZVGPMSA-N	989.091	6.674	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408528617	HXZBARFFIBIEDQ-IBBHUPRXSA-N	581.308	6.814	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408539353	VTNPVEHHWIRSMS-RWOOANICSA-N	733.290	9.926	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)c1ccc(C(=O)O)cc1	408543477	RJLKSYBFDFSNQM-NHDPSOOVSA-N	506.299	5.504	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)c(C#N)c1C	408546240	FKRFLMPYUYSYCK-RGVLZGJSSA-N	579.472	6.174	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OCC)c1OCc1ccc(Br)cc1	408549306	SENIMFJHXABNBJ-QRQIAZFYSA-N	524.458	8.373	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc(Cl)cc1Cl	408579353	GBTFGYOQGCXERA-UDWIEESQSA-N	509.230	8.552	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Br)cc1	408643411	FWHXHQAKORBHPQ-FFTGTZRRSA-N	708.028	5.774	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408660187	WKTOMXHUKZXTGK-AXJXYVTPSA-N	657.186	5.790	50	40	KKGB	
O=C(Nc1ccc(Oc2ccccc2-c2ccccc2)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408687744	UULRMYGQQSSBDG-YGHIHULVSA-N	504.380	5.655	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3cccc(C)c3)n2)c1O	408723927	AOHRPBKAGDSJKJ-UZWMFBFFSA-N	502.574	5.993	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)ccc1OCc1ccc(Br)cc1	408742631	WZKHIIXXEPAHQJ-ACXHZZMFSA-N	566.883	6.862	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408742836	QBKPKJZTOQTMRD-JBZNKQRISA-N	738.025	9.421	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)ccc1I	408746753	GQELZNPTZXURPI-KBKYJPHKSA-N	689.098	6.076	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408783094	JXROPYOZMOIUKY-UQRQXUALSA-N	519.711	6.152	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(I)cc1	408788592	LLDVKSRQTSNZGV-BUVRLJJBSA-N	695.351	7.766	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408792537	ASEJXRHUTSMWLN-YBFXNURJSA-N	566.364	5.277	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	408793276	DMHZTVYASCRSSJ-CXUHLZMHSA-N	672.542	7.594	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(Cl)cc1	408794598	JOVMPSGGQHETMF-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408795295	KUBMZHYEXHRZIQ-CIAFOILYSA-N	597.409	6.285	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795641	LVUOITSRCVUMFN-GZTJUZNOSA-N	549.195	6.723	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1c(C)ccc2ccccc12	408800336	MGNSCEMHGQKLAO-OEAKJJBVSA-N	589.917	8.396	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4OC(=O)c4ccccc4)cc3)sc2c1	408841067	FJQDWGICVAJJGH-DPNNOFEESA-N	568.054	7.099	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c3ccccc32)c1	408844313	NHIWRXDPEQUQAF-MWBNBJEGSA-N	576.125	8.282	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(F)cc2)cc1	408844508	TZTDWRGBTCLSKH-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(Br)c1	408845641	KVWGIXRLSSOMEU-ROTLSHHCSA-N	515.205	6.129	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408875739	HGMVJGUQFHMTJD-HNSNBQBZSA-N	596.080	5.802	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408876020	MEVCIXHSUNVWNR-WGARJPEWSA-N	528.359	5.108	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408883122	RLOYXTVHGZLXJX-LDADJPATSA-N	575.868	6.123	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408886742	ISRSAEIKLIFLPL-LICLKQGHSA-N	565.862	6.667	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1	408904797	OVDBEAMEJJPZCC-PPDIBHTLSA-N	520.786	6.293	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1O[C@H](C)CC	408912631	RJIDPHSNFXDLFH-YPKLGXIKSA-N	572.443	5.253	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2I)c1	408923515	JBLQBMACYMBPDX-GIJQJNRQSA-N	746.124	6.934	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2Br)c1	408923914	LELLWMGDAOYPOS-WKULSOCRSA-N	552.266	7.016	50	40	KKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc(Br)cc1	408934684	FRBFVPQJGANLBR-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	408943542	HTXBICPEBLFWMA-YTTGMZPUSA-N	677.610	6.611	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1	408947623	CSDCJIZJOZPOCG-HAHDFKILSA-N	510.550	5.320	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Br)c2)c(OC)c1	408956983	RZXSWSICSRRSMH-FEFDWTNPSA-N	685.959	5.410	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1F	408963091	MLPFPOBJELUQOT-VVEOGCPPSA-N	539.323	6.349	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408970645	JOQDURBWABNFKA-GGJUFLRBSA-N	694.413	6.852	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	409014134	MFGIIPKKRDLZER-SZASEVQXSA-N	574.461	5.489	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409014356	OYTTWZZKASMJNZ-VYVUJPJFSA-N	722.986	8.212	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4C)c3C)cc2)S(C)(=O)=O)cc1	409028766	RXHFVBNDWRDSHO-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12	409030083	CEAZJVRFLBVCNN-KVAAJVFYSA-N	741.221	8.374	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)C(=O)NCc1ccccc1	409046287	JUCOBSGQBFPQMZ-VXLYETTFSA-N	560.673	6.667	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409068476	RPGKCTSOHYEXTB-CPNJWEJPSA-N	576.980	6.409	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cc2)cc1	409109271	ATMYEWRAONBFKT-ZCTHSVRISA-N	528.678	5.608	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OCc1ccc(Br)cc1	409140119	IEHPFMIQVXPBDC-OPEKNORGSA-N	579.201	5.177	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc(F)c4)c(Br)c3)cc2c1	409183392	BTFLJUBOQLYOCY-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)cc2c1	409190299	RSULLHVVKWWHST-DBFSUHOCSA-N	651.149	7.462	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NC1CCCC1	409192417	XCPSTCBSLJJSCM-CHHVJCJISA-N	573.112	7.063	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccc(OC)cc1	409219696	TYYWSIOMRXTZPI-UHFFFAOYSA-N	602.043	5.991	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)NCCCc1ccccc1	409229528	QOUTZUHVVGSSSY-JCMHNJIXSA-N	556.831	6.180	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409245798	ZFAVAPBUTGPUNZ-XKZIYDEJSA-N	588.329	7.390	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1cccc(F)c1	409249014	IWCZERSJYOEETG-KKMKTNMSSA-N	594.450	5.057	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409250639	MGZCUKNTOHKCPI-XDHOZWIPSA-N	507.949	5.749	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1	409258488	VFJGRNSBDDZBSQ-ODLFYWEKSA-N	504.930	5.428	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br)Nc1ccc(Cl)cc1	409262416	IOXSXIACGRSNJS-RAWMCFOBSA-N	610.646	5.555	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)ccc1OCc1ccccc1	409263821	MTPYVXDAGGHMCG-VHFSBPNMSA-N	620.533	7.369	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1OC	409301002	BTLPQSFACZWQQA-MUXKCCDJSA-N	658.752	5.970	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409362754	KACZGRGTBMQNPC-QDTIIGTASA-N	550.236	5.799	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc2ccccc2c1	409374119	YRJZYLDGPJHPTC-MWLSYYOVSA-N	548.393	5.791	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccccc1	409384893	FQFFQPNRRJDZSZ-LGJNPRDNSA-N	540.395	5.924	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)cc(OC)c1OC	409395858	SNMDEBIGTSJJSA-UHFFFAOYSA-N	579.609	5.852	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409396715	AJPVPALPLFXHGL-UHFFFAOYSA-N	646.527	7.931	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397793	OCTXXLVZFFRECH-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409399957	AMYCIBPKACGFDP-MZFJOGFUSA-N	507.590	6.582	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)OC(C)C	409400278	CLSRJRHJUZNSBD-OHUYPAJKSA-N	573.646	5.759	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(C(=O)O)cc3)o2)cc1	409400997	FWUGEHWNGYKLGR-AEUUOICLSA-N	642.506	7.070	50	40	KKGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409404950	RMSVWYPXTVAMIW-DXJNIWACSA-N	513.594	5.994	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4C#N)c([N+](=O)[O-])c3)o2)cc1	409405692	UPXAOMRCNKAFEW-VHFSBPNMSA-N	668.504	7.151	50	40	KKGB	
CC(C)(C)c1cc(-c2ccccc2[C@@H](CP(c2ccccc2)c2ccccc2)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(C)(C)C)c1	1857795252	YFYKUDPRTXTMTJ-KXQOOQHDSA-N	733.777	11.590	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)c(Br)c(Br)c1OC(C)C	679504	HKPBSYFOLBFYRR-INIZCTEOSA-N	514.214	5.068	50	40	KKGB	
O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12	1001374	KMFPIXXTJKHXLQ-FJEPWZHXSA-N	516.030	5.257	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	2236019	JXJQPYQWCGBVRH-FDAWAROLSA-N	541.032	6.074	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1	2449800	KZEPPGUGHCBJCZ-OBGWFSINSA-N	500.942	5.393	50	40	KKGB	
c1ccc2c(c1)nnn2CNc1ccc(SSc2ccc(NCn3nnc4ccccc43)cc2)cc1	2570959	PUYZXOLYBWZPPV-UHFFFAOYSA-N	510.652	6.115	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccc(C)cc1)=N\NC(=O)c1cc(Br)ccc1O	8665877	WBDRSZNAFFEVLA-RZRWSKPRSA-N	588.466	5.981	50	40	KKGB	
COc1ccccc1/C=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1	12463738	CVZXTTRUDRQKPN-YKQZZPSBSA-N	513.667	5.791	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(COc3ccc(Br)cc3)c(OCC)c2)c1	18192496	ZIDNUMXXKWNGMR-KGENOOAVSA-N	521.411	6.371	50	40	KKGB	
O=C(N/N=C/c1c(Br)cc(Br)c(O)c1Br)c1nc(-c2ccccc2)n(-c2ccccc2)n1	33355004	ZPQCREDQKPNIAT-RPPGKUMJSA-N	620.099	5.691	50	40	KKGB	
C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](C(=O)O)N2	97952147	CNUOJWXPQWZPJF-IEBOKGROSA-N	530.046	5.360	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)N1	98048550	GVPABNMBMDGRRK-VWLOTQADSA-N	586.655	5.813	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)cc1C	100100167	TVDXROZHVLSFGF-KPGMTVGESA-N	580.979	8.183	50	40	KKGB	
N#C/C(=C\c1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1)c1nc2ccccc2[nH]1	100164831	ZTMXBZALIGVLSP-YRNVUSSQSA-N	514.133	6.320	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1OC	100314400	KUUWLHGHMDLWKW-KEIPNQJHSA-N	604.128	6.381	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3C(F)(F)F)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852163	QPPBEZOXHMURLO-FZPRHHONSA-N	551.638	6.801	50	40	KKGB	
N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	100988446	CQBJGBBFDILHSD-ZYGWBPEKSA-N	563.293	7.365	50	40	KKGB	
CCCCCCCCCC(=O)Oc1ccccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	101149926	MDPZZBPTEDDDCX-SEXKYXSUSA-N	557.323	6.159	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@H](C(=O)c3cccs3)[C@@](O)(C(F)(F)F)N2)cc1	102139601	UFMMRSSYTRVQDT-CLCZQPDDSA-N	622.090	6.344	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)N=C2CCCC(O)=C2[C@H]1c1ccc(OCc2ccccc2)cc1	102521650	XOSXTPBYMKKGGJ-LJAQVGFWSA-N	556.087	7.560	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccc(Br)cc1	102932795	PCHOLFAKTYRMTM-LICLKQGHSA-N	524.327	5.196	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1ccc(C)o1	102957974	FGKXULYCUONPDL-MFKUBSTISA-N	520.221	6.154	50	40	KKGB	
CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528518	KBCXUMKMWJNGJN-INIZCTEOSA-N	520.355	9.104	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	104403009	JJZZWHKZWTYALX-FDAWAROLSA-N	594.449	6.585	50	40	KKGB	
C/C(=N/NC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1)c1ccc(Br)cc1	106327959	NKFLSLNBOURXQR-QDTIIGTASA-N	534.361	5.931	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)Oc1ccccc1/C=N\NC(=O)c1ccccc1	110164300	ABFVPOOWAFFRGS-KSEYNZOFSA-N	559.405	6.595	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918300	RHVUWCOPIAXOFJ-RLPLIERXSA-N	565.746	10.076	50	40	KKGB	
O=C(NN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1)C(=O)NN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1	150375594	OKCBYJGKEIQGOU-UHFFFAOYSA-N	646.318	7.140	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1	150382664	VDNMSQSXBGQYHZ-LXKXXIADSA-N	677.621	5.089	50	40	KKGB	
CCCCCCCCCCCCOc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC	150500461	GTFIBYJXZGSFQH-UHFFFAOYSA-N	796.187	15.713	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(O)c(I)c2)c(C(=O)OCC)c1C	150551806	LBISYTARNGCLNI-AWNIVKPZSA-N	632.270	5.201	50	40	KKGB	
O=C1N[C@@H]2CS[C@H](CCCCC(=O)N(CCP(c3ccccc3)c3ccccc3)CCP(c3ccccc3)c3ccccc3)[C@H]2N1	195771778	YQGVXWZSNIQEOR-OAMIGCBKSA-N	667.796	5.807	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)ccc1I	208214404	QWYLNOXCJCOKMU-FWWWNHOTSA-N	505.400	5.094	50	40	KKGB	
COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCC[C@H]2[C@H](C)P(C(C)(C)C)C(C)(C)C)cc1C	261361412	MUYKQLVEXOTWSJ-OWPQXHQJSA-N	542.725	9.006	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)cc2Br)cc1	408541193	FFFJVAULYIJVAD-JMIUGGIZSA-N	527.212	6.861	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550375	DEPHTBKBNUOTKO-WKIKZPBSSA-N	531.352	5.082	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1cccc(F)c1	408555243	WNACLEYVMJRGND-VXLYETTFSA-N	627.479	6.766	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408566998	CDHDIFWMNWYTKZ-XAZZYMPDSA-N	656.451	7.741	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408568473	JLUCYNVGEKPJEZ-MFOYZWKCSA-N	537.345	6.415	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OS(=O)(=O)c1ccccc1	408580202	BEDKIHYSXPHCOG-CPNJWEJPSA-N	561.397	5.530	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Br)cc3)cc2Cl)cc1Cl	408580356	OUNKNNFMLJLQLE-VCHYOVAHSA-N	516.222	7.146	50	40	KKGB	
O=C(NNc1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408604329	ICZRMHACCHIPFU-INIZCTEOSA-N	504.801	5.722	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)CC2=O)cc1	408610441	UICMPWAIBMATOZ-GOSISDBHSA-N	528.436	5.640	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O	408643449	PLXZUPYUXYWCOO-YIRCQBSFSA-N	575.851	5.423	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	408646205	TXAXCBIDVLEVEA-UJOPUZHASA-N	610.730	5.119	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408647223	UUMSXRPAZNLMGO-OAHLLOKOSA-N	865.809	9.231	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	408711810	LSQZLFMOPMCTOC-MWLSYYOVSA-N	592.861	6.014	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)c1	408744352	KPWZTBQRZVNMKB-ZDLGFXPLSA-N	563.222	7.031	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408768589	HISVKWLCUDYEAL-BKUYFWCQSA-N	514.925	7.420	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1c(Cl)cccc1Cl	408777871	KTKGITUDGQOIGC-YBEGLDIGSA-N	627.693	7.775	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408795169	KISVNKVMYVPUBO-CIAFOILYSA-N	550.409	6.498	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408795645	LXTMGRYURLUTKF-LICLKQGHSA-N	559.747	5.977	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(I)cc1	408796727	PRUGSAOXEMBIFG-RQZCQDPDSA-N	627.693	7.775	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc2ccccc2c1	408797768	SQAYQWBUSXCZRO-ZMOGYAJESA-N	575.890	8.088	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1	408803549	QIRKUZNMXBZTOX-GZTJUZNOSA-N	512.747	6.135	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2I)c1	408813660	DMUYDRUCZKUVKC-ZDLGFXPLSA-N	591.218	6.626	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408826557	HAZAEDJVPZVKLL-WKULSOCRSA-N	562.862	6.252	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408829619	OPCXUHXVXBQWKS-JJIBRWJFSA-N	529.423	7.697	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408830456	PNWXAKYMKFVVDW-RDRPBHBLSA-N	647.569	8.931	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408838327	DONFCHYPXMIQAS-PTEHHBOZSA-N	701.813	8.859	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(C)cc2)cc1	408841445	KGKKOWWNSKACSJ-HNSNBQBZSA-N	637.183	5.733	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Cl)cc1	408851172	JCUQHFZLUIVUEU-VCHYOVAHSA-N	579.800	7.645	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC#N	408853265	QMOLUFORDSWASN-MYKKPKGFSA-N	521.165	5.023	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1	408857409	GGTLAKMHXFDDIA-NJZRLIGZSA-N	527.646	5.174	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)c(OC)c1	408865059	AVEROJHQLOYXGA-RGVLZGJSSA-N	525.374	5.408	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408873633	UCKKOTJYIPQDCA-JEPNHJGPSA-N	620.171	6.589	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)c(Br)c1	408879553	GWECYWILKHIVHT-WOJGMQOQSA-N	560.673	7.298	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3ccc(Br)cc3)c2)cc1	408885816	BHDAOQJPIAXUOV-KGENOOAVSA-N	535.394	5.759	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC)c1OCc1cccc(Cl)c1	408888125	XCATZXZZWDPRGS-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(F)c1	408888365	UUHVKAUAQGWVNY-CAOOACKPSA-N	549.318	6.740	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1Cl	408900339	VESCIBJAXJDKHG-YBFXNURJSA-N	555.812	6.324	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Br)cc1	408923772	JUNWPPVFGOCFRZ-WOJGMQOQSA-N	588.867	5.683	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1C	408925839	UEQBKVBRGJGIKG-YBFXNURJSA-N	558.803	6.386	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(C)c2)c(OCC)c1	408951478	UFXOEFCKGSHUNW-SSEXGKCCSA-N	695.636	5.620	50	40	KKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408956244	ZFENLWCKBNNIHK-DHBSWXANSA-N	516.041	7.056	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl	408982693	DWQUWFHOZUERNY-NVMNQCDNSA-N	501.797	7.089	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	408990508	NMBMPCTYMDDVJE-ODLFYWEKSA-N	525.786	6.234	50	40	KKGB	
N#C/C(=C\c1ccc(SCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1	408991383	NQIAZNGZVJJHQN-CIAFOILYSA-N	543.004	6.678	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c3ccccc32)c1	409012498	IKLJSXLHAFCYMJ-PVUBHLLPSA-N	641.599	7.258	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1	409018598	HUFPQMWNUQIWAL-AZWYLDCCSA-N	613.626	6.442	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409038141	ZPUDPNPMSWXBTJ-KCSSXMTESA-N	522.605	7.036	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409038945	FZLWAVKFYPPPRQ-BIZUNTBRSA-N	577.553	6.673	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	409039053	QFPYSTIQXCCEOC-MWBNBJEGSA-N	662.009	8.711	50	40	KKGB	
Cc1[nH]nc2c1[C@@H](c1cc(I)c(OCc3ccc(Cl)cc3)c(I)c1)C(C#N)=C(N)O2	409125822	ADLWLZKQNCLIJI-SFHVURJKSA-N	644.638	5.378	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409139087	MFJVPUAUTURTGM-ZCTHSVRISA-N	548.064	6.095	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(C)(=O)=O	409183316	BGTKPSZVLDWSMN-OCSSWDANSA-N	536.053	5.297	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)cc2)cc1	409183960	GXMATGDVVMPPJO-QXUDOOCXSA-N	614.724	5.060	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	409183992	DQZWIJNVYPDACU-QXUDOOCXSA-N	638.142	5.681	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	409191007	YGABUVABSCALRC-MNBJERMJSA-N	543.576	6.210	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409234650	OKTYKNAOBSLQAJ-PXNMLYILSA-N	617.192	7.741	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1ccccc1	409235802	BRWVRZBFVWPARN-VBNMEBLOSA-N	666.151	7.180	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409254967	YOMPYAHUYVYIIU-MUXKCCDJSA-N	524.961	5.045	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)c(C)c1	409255649	IGUCDMIESMBOMM-ODLFYWEKSA-N	504.930	5.428	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1Cl)C(=O)NCc1ccccc1	409263555	HQJGQDLUAWAQAM-VCHYOVAHSA-N	603.698	6.106	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)ccc4OCC(N)=O)cc3)cs2)cc1	409270448	PPAWCIUSSGSHJH-DBFSUHOCSA-N	564.465	5.253	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)cc1OCC	409315871	OUXSIPXOJCIKCF-MNDYBZJGSA-N	622.741	7.171	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409320142	BXRDSVRZEMNBOC-MZFJOGFUSA-N	686.524	5.809	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409368426	VAZJWWWOIMWYJH-UVHMKAGCSA-N	530.806	5.412	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409371429	JFQZVHPHCBKSDE-LSCVHKIXSA-N	548.220	7.706	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12	409371901	BKOQLGBTPUTPKC-MUFRIFMGSA-N	548.393	5.791	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409372552	LQTHCVRGAWVVOF-FDVSRXAVSA-N	528.392	5.911	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc(Cl)cc1	409394715	FAVHYBLYIWRVHV-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409395592	PMJNGNKJAHVIRE-UHFFFAOYSA-N	704.177	8.789	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc(Br)cc1	409396569	ZCGMHFCCTFUYHO-UHFFFAOYSA-N	730.638	8.759	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409398164	RIPLODXFFQMOCX-UHFFFAOYSA-N	660.908	7.361	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)o2)cc1	409407764	HKYLQTOMOZMRLO-VFWBSDGASA-N	762.411	8.082	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	1529544623	KIZWZDFTWHDONZ-RUMCWGKLSA-N	748.703	7.459	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1	1529547678	OCTCWBVRHCCAQC-BPDXHTFCSA-N	683.834	7.005	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc(C#N)cc2)ccc2ccccc12	1529548119	AAHMVVHKDNREJI-MPZKYCQLSA-N	633.730	5.175	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc(C)c2)c(I)c1	1529548217	ZCUGUEWNUNQRCR-MWKDUONYSA-N	824.479	5.668	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccc(-c2csc(-c3ccccc3)n2)c(Cl)c1	1707137	WMGKVVOOKBZTNM-KBVAKVRCSA-N	528.936	8.474	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	1769569	DSQQVOIHRIWCFF-LFIBNONCSA-N	555.414	7.843	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C(C#N)C#N)c2cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc2-3)cc1	1844791	OLTMXWHIODNNDZ-UHFFFAOYSA-N	598.662	5.135	50	40	KKGB	
COc1ccc([C@H]2NC(=O)C(C#N)=C(SCC(=O)Nc3ccc(SC(F)F)cc3)N2c2ccccc2)cc1OC	2670612	JSYVJYSBYDEYDT-VWLOTQADSA-N	582.654	5.761	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	4062670	PWWHHNGSICWCSO-KPGMTVGESA-N	560.510	8.032	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F	6177849	XRJSURKQEPEMKI-XQTSXZJRSA-N	576.644	6.651	50	40	KKGB	
CC1(C)C[C@H](n2c(NNC(=O)Cc3ccccc3)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1	6232511	ODNMURSHCXGXGH-XMMPIXPASA-N	526.681	5.484	50	40	KKGB	
Cc1c(Cl)cccc1N1C2=C(C(=O)CC(C)(C)C2)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C1n1cccc1	12372451	UCHYRUKODBENMU-SSEXGKCCSA-N	509.009	6.196	50	40	KKGB	
CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O	16741515	HHYOGJZGUFSZLO-VEILYXNESA-N	514.585	5.730	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	33584246	NVPMGATZNBJSHO-BRJLIKDPSA-N	500.418	5.259	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(I)cc2)cc1	97959503	KCUBVTFYKNBQGI-DEDYPNTBSA-N	587.255	6.741	50	40	KKGB	
CCOc1cc([C@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(Br)cc1OCC#N	97959932	DUADNVSFVGJIDO-BUKPSGGLSA-N	534.458	5.616	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1I	97966068	BUAOBIIEQCHZSF-QFIPXVFZSA-N	626.501	5.704	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)=C(C#N)[C@@H]2c2ccccc2)cc1	98048573	JXYTVJATYMABSK-LJAQVGFWSA-N	611.680	5.787	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C(C)C)cc2)N1	98048915	LQKISBAFSVXBMJ-MUUNZHRXSA-N	540.689	6.726	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1C	100102308	GBEGMTWCKDELME-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1)S(=O)(=O)c1ccccc1	100119666	IMXTVSFRQSXIOZ-FDALDRLYSA-N	629.157	7.354	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1	100123092	WJVXPZIKRMPWRR-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)cc1	100126498	UNPLTXQDIVOPQY-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)c(C)c1	100129688	FPKYFCNCEJEKEI-UCMJSZAQSA-N	621.601	5.857	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1	100287687	NEJVUSOPJPUXFO-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(C)cc2)cc1OC	100303991	UFTJZRNUOABKFL-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc(I)c1	100394144	MUBFCDPBKFAZKT-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C\c1ccccc1OCc1ccc(Br)cc1	102436649	PEAUAJMHJMYSJM-LJUMEUDFSA-N	591.535	5.660	50	40	KKGB	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4[nH]3)c2)C[C@@H](C)O1	102684897	CJNBMBXOVCPPPN-DOVZHTLQSA-N	564.671	5.278	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OCc1ccccc1C	102935047	DPMWMSGWVXXSQU-CIAFOILYSA-N	597.409	6.340	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OC)c(C#N)c1C	106345669	GVBQMIKQWAQXQV-WLRTZDKTSA-N	552.244	5.357	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Br)cc1	164745449	WQQZTSFTIXMTIF-YVLHZVERSA-N	672.144	7.884	50	40	KKGB	
C=CCO[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	239562599	FJPFNIPMJGTTMW-PDJWPSNNSA-N	604.860	7.079	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1ccc2ccccc2c1	408549190	QNLSMWBBYOUSSW-QRVIBDJDSA-N	566.236	7.850	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(F)cc1	408566601	APVKTOKOMVHQJK-IPPBACCNSA-N	591.524	6.184	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408568494	JULVWHCSUYNFIH-ZDLGFXPLSA-N	549.400	6.253	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc(Cl)cc1Cl	408580698	QZHHYHADRYGQSV-LZYBPNLTSA-N	538.066	8.162	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	408639051	DZUMMOFPAVVSPY-JVSBHGNQSA-N	645.175	5.772	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1	408673239	QPHJMWDYSRVWDS-HITKPJKISA-N	596.404	6.828	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(N2CCCC2)cc1	408678442	ZDODIZXCLMTTEK-WPWMEQJKSA-N	525.390	5.234	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc(I)cc1	408711944	RTPWIBVGERZHLW-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1I	408746726	GGUJCPZYJVEVGO-RPPGKUMJSA-N	687.228	5.164	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747721	RZCRWILCKMFHIL-KYHGBAKBSA-N	612.293	6.316	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408758493	LAOROUACYJAEOQ-HZHRSRAPSA-N	560.532	7.037	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(Br)cc1	408759038	WVONCWPSKJYMKR-ZDLGFXPLSA-N	590.699	7.388	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)c1C	408791153	UXGKUMZZXOKYJM-DJKKODMXSA-N	652.245	6.776	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1cccc2ccccc12	408791653	AGZVQWQZYJRFRQ-ZVHZXABRSA-N	541.445	7.352	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1C#N	408820820	ZDRKIDFYGQQWSP-FDVSRXAVSA-N	565.367	5.651	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1)S(=O)(=O)c1ccccc1	408827012	FNCRIIBAXOMGDX-HNSNBQBZSA-N	652.567	5.699	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408827215	GHSLJLIAILMBHO-RUMWWMSVSA-N	522.605	6.073	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1cccc(C)c1	408832111	RDGSGCWUAIYMJR-WGOQTCKBSA-N	678.954	8.355	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1)S(C)(=O)=O	408833327	UCXOTXROZNIXIS-VFLNYLIXSA-N	645.359	5.268	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1	408837159	ZKOSPHUBECGBFB-ZVHZXABRSA-N	652.372	8.858	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	408837949	AXCAEPYGXGGJOR-FDAWAROLSA-N	527.964	5.584	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccccc1F	408840542	CFWUWFFFAOUTPQ-IIHBXENTSA-N	637.453	7.088	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1	408840615	CTEQIDQRGUGLAD-VTNSRFBWSA-N	546.410	6.537	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1cccc(Cl)c1	408840910	GGQUFBAQXWPAJL-VVEOGCPPSA-N	531.991	6.659	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408845799	HNEDUKWVUVTMCR-KYHGBAKBSA-N	594.893	6.574	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)cc1	408848448	ZAYKANPHAUJSKK-JWGURIENSA-N	624.944	6.941	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc(F)c1	408849249	VVXOYEKRNDPGLC-NVJOKUIPSA-N	576.216	6.448	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(I)cc1	408850953	HAABJWIGTDQVPJ-MUXKCCDJSA-N	574.802	6.432	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(Br)cc1OCc1ccc(F)cc1	408853772	RPRHCQMIIRSLES-IPBVOBEMSA-N	645.117	6.560	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1	408854792	BJKJZIAYTGWOJC-FDVSRXAVSA-N	523.814	6.920	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccccc2)cc1	408857438	OCYLESPQLITVGG-LJUMEUDFSA-N	542.433	6.946	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408861559	BSXQVYLLMGWXNY-VUTHCHCSSA-N	505.640	5.029	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc(Br)c1OCc1ccccc1Cl	408861978	HBFPIVUJLGJNRW-QLQYKETESA-N	648.001	6.776	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c2ccc(C)cc2)cc1OC	408863203	LUXRFEZMYAXTEK-KULFSUQXSA-N	751.483	7.015	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OC	408864008	SGEXBDCRNLMKQA-UVHMKAGCSA-N	601.306	5.119	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	408877080	PNIQSTNKSMDEHA-DEDYPNTBSA-N	506.356	6.044	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	408878818	BOCJNBJUIUGNAE-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	408879280	CTHJNUUYHKSHRB-UFWORHAWSA-N	561.849	6.475	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1	408889222	AWHNYPHDNRTWDV-RWPZCVJISA-N	507.771	6.239	50	40	KKGB	
COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)ccc2OC)cc1	408889673	IVFVTKULGBPBIP-CXUHLZMHSA-N	542.331	5.684	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2Br)c(OC)c1	408890223	PXVHLROJJDWRCC-UDWIEESQSA-N	570.281	6.907	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c([N+](=O)[O-])c1	408892696	CLQKNDASYBSJCG-XYOKQWHBSA-N	513.260	5.080	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Cl)c1OCc1cccc2ccccc12	408898198	VPPHOBWTHVYSKC-LPYMAVHISA-N	557.990	6.933	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408908893	DVYSDAQSENULAO-KKMKTNMSSA-N	582.676	5.982	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OCc1ccccc1C	408926847	ZMCAXLZBWQDRNA-MUFRIFMGSA-N	550.396	6.104	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	408970625	JKSJABVSLQRBES-PFFBDVMVSA-N	594.451	5.597	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	408982436	XWKJUCHZXLCNOD-JFLMPSFJSA-N	524.857	5.031	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1Cl	408982578	IAZRELNERGTMHI-NHDPSOOVSA-N	704.733	8.136	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1cccc(F)c1	409019206	ZLYFDANQOOJFDR-BVMLUPFRSA-N	552.400	5.643	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(F)cc1	409030136	CNFXKUBEIWTNND-HQDYHJHZSA-N	584.445	7.155	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409036226	AWQWXZHSXHXJOU-ZSNJKBEMSA-N	589.120	8.703	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccccc1	409039824	DSTNHFQGBPVAAH-UDWIEESQSA-N	534.410	5.638	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl	409045302	GCGAGYUTSGYCAD-CXUHLZMHSA-N	591.643	6.898	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1	409050472	WEXYPAOVLQCLAF-HQDYHJHZSA-N	556.449	7.560	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(Br)cc1	409070871	PEVWOLSOEIULON-HYARGMPZSA-N	505.368	6.738	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409074313	ZAOOVWBOPSKOLT-MHWRWJLKSA-N	596.286	6.468	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(Br)cc1	409082923	UFOZIHYKFSOGDS-HZHRSRAPSA-N	519.395	7.128	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NC3CCCC3)cc2Br)cc1	409189167	DRVYAGDCMAUFBP-ZDLGFXPLSA-N	518.249	6.065	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc2ccccc2c1	409190934	BTJNJXHSOGQLHT-UCQKPKSFSA-N	519.439	6.546	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cccc2[N+](=O)[O-])cc1OCC	409217730	ASZSSTMWWRLHRE-UCMJSZAQSA-N	596.596	5.628	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccc(Cl)cc1	409219180	KENDBCSMDULTRI-HBKHLPLRSA-N	610.895	6.069	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccccc3)cc2)cc1	409225022	NCABSHGHFDLFGC-WNQABDHSSA-N	548.555	5.538	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(C)c1	409247404	CAAWAERZDQJFKJ-NHDPSOOVSA-N	611.334	7.008	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409256876	QKINBAIKAADTQR-NVMNQCDNSA-N	661.734	6.523	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409269012	CVPSYGYZATVWGD-MTJSOVHGSA-N	503.986	5.837	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409310710	CNOFPRIWHGVJBX-RODHXAHZSA-N	644.002	7.810	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409310859	WZVTWTVOHLSXSY-RTWAWAEBSA-N	568.866	5.155	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	409310871	XBOYUSONTTYGAJ-LJUMEUDFSA-N	674.367	6.331	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1	409320065	BKLIKMQIXGAQLF-QRQIAZFYSA-N	509.400	5.756	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OCc1cccc2ccccc12	409331621	DXIQMOBQYODSSR-ONUIUJJFSA-N	581.453	8.639	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1	409340928	CHZAXKNSGHMODR-ZDLGFXPLSA-N	503.621	7.508	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409358602	MMBLEVGUYLKNGE-XODNFHPESA-N	515.238	6.831	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409371398	WIHHWMIAFLYNCA-APTWKGOFSA-N	577.666	6.344	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409374312	MEQRSOAFVRWCGR-NDENLUEZSA-N	545.437	6.423	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC	409382379	LDDKCWDOMXRNCO-UNOMPAQXSA-N	550.409	5.338	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccccc1	409395019	IWVBXMGBIMBFBW-UHFFFAOYSA-N	556.391	6.720	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409396984	DQPXEJJKMQVVLM-UHFFFAOYSA-N	627.278	7.489	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397457	KCAUSFUZLYYXEK-UHFFFAOYSA-N	648.499	7.159	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1	1529548652	KWJLYCYACUAHIT-AYSITGFNSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12	1529548731	MWDXHYQLDQRNBH-HDSWQJOPSA-N	658.780	6.457	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	1102297	QYTHHCMHKYYZSV-HHHXNRCGSA-N	528.703	6.380	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)N=C3CCCC(O)=C32)cc(OC)c1OC	1278925	ILFZBQNQRURTCL-QHCPKHFHSA-N	574.486	6.660	50	40	KKGB	
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1ccccc1Nc1ccc(Br)cc1	1717064	SEHUMQANFACIPE-OGLMXYFKSA-N	534.285	6.241	50	40	KKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	1769403	MZZONYIANXXTKR-NBVRZTHBSA-N	513.531	6.306	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2ccc(F)cc2)n1-c1ccccc1	2096882	WFNDGNFSVWMAJA-RXXZHPLBSA-N	523.037	5.611	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C(C)=O)cc3)NC3=C2C(=O)CCC3)cc1	2309572	OBCNYVLJWFISSU-SANMLTNESA-N	501.608	5.089	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2OC(F)F)P(=O)(c2ccccc2)c2ccccc2)cc1	3214928	TVPOIEXDBGTPTK-SANMLTNESA-N	527.529	5.588	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Br)cc1)N2	6445710	LNVPUJUQFGAFCB-FPVDIDMMSA-N	559.869	7.094	50	40	KKGB	
Cc1ccc(C(=O)NNC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1	8441349	PQLGELOEAPYBPB-UHFFFAOYSA-N	513.022	5.802	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C	9678554	OXPGMGNNHMLSNB-UXHLAJHPSA-N	510.034	6.784	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1COc1ccc(Cl)cc1	13756511	VAKNYJQTHRDJBY-OXUBWTJQSA-N	514.196	5.629	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccccc2)c1C	20060768	CSFBQCSNUIDHBJ-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1	59291970	HDLJNSLSRDUDLW-HYARGMPZSA-N	517.412	7.670	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	59336593	KOXCZKZBCAFPGI-WQRHYEAKSA-N	516.222	7.189	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1Cl	59435306	ZHSHHVWWTFUKQY-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCCCCCCCC2)cc1	59443840	OLNIZYKSJLJTPY-UHFFFAOYSA-N	511.732	6.005	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1	97958076	JTHDREWEPONUQO-WYZGGYGRSA-N	631.958	6.669	50	40	KKGB	
Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)/C(=C/c3ccc4c(c3)OCO4)NC(=O)c3ccccc3)c2)cc1C	97964211	LJXNQBBYQKIGSQ-ZLMRMGKJSA-N	561.598	6.074	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C(C#N)[C@@H]2c2ccccc2)cc1	98048907	BIZVZUGNQOTUOD-NDEPHWFRSA-N	620.653	6.589	50	40	KKGB	
C/C(CC(=O)Nc1ccccc1Br)=N\NC(=O)COc1cc(C)c(Br)cc1Br	100030108	UGYLNUUSYATMDN-WYMPLXKRSA-N	576.083	5.182	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1	100062320	WNXBXFKOJZFCJM-MZJWZYIUSA-N	548.808	5.995	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)cc1C	100100271	ADJHWQYMMAPRCC-VTNSRFBWSA-N	560.561	7.671	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)cc2)cc1	100141918	RFRSMIRTFGKAQF-BIZUNTBRSA-N	562.091	5.958	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	100227860	DPWGELGBTQQDMQ-ODLFYWEKSA-N	550.223	7.640	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100853252	ACNJLVHNUAHNCP-AJBULDERSA-N	543.693	5.882	50	40	KKGB	
COc1ccc(-c2nc(CN(Cc3noc(-c4ccc(OC)cc4)n3)C[C@H](CCl)n3nc(C)cc3C)no2)cc1	101147670	NCKQQILLQRWNKQ-QFIPXVFZSA-N	564.046	5.099	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(OC)c3)=C(C#N)[C@@H]2c2ccco2)cc1	102513662	OZXGUDYNHFQKEH-HHHXNRCGSA-N	572.643	5.171	50	40	KKGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	102634100	ARVQVDZJCBAPMF-QXOIRWOJSA-N	581.345	5.587	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)ccc3N[C@H]2c2cccc(Br)c2)[C@H]1Cl	102682802	KUAAYTYBXYXPSK-BQEPTVRSSA-N	550.305	8.049	50	40	KKGB	
Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)NNC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)c12	102993580	OTGJGEFHNBKUTH-UHFFFAOYSA-N	598.644	5.333	50	40	KKGB	
CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528398	JVYNVDPUUBBLBU-ZDUSSCGKSA-N	578.288	9.205	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	103877143	OQEMHFDKIGCAGT-BRJLIKDPSA-N	602.297	5.419	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1Cl	103891036	RJHBDNSCEWQWIM-NVNXTCNLSA-N	571.085	8.187	50	40	KKGB	
CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341192	HAFDKCYNLLRXIT-SCSAIBSYSA-N	902.108	11.411	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1cc(Cl)ccc1C(=O)c1ccccc1	150449748	SCQMCFDGEKDVMK-WGYYFIJSSA-N	647.095	7.297	50	40	KKGB	
FC(F)(F)c1cc(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCCC2)cc(C(F)(F)F)c1	199827287	OPKDWWIKKFASQX-UHFFFAOYSA-N	526.301	8.137	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1cccc(Cl)c1	216048718	UAVSWYQPOXWAFX-WKULSOCRSA-N	529.862	6.390	50	40	KKGB	
CCc1cc(Br)ccc1NC(=O)CCCCCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O	226399913	YSUAFJDLKNMOOC-CJNNMXBWSA-N	619.192	5.288	50	40	KKGB	
CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CC/C(=N\OC(=O)/C=C6\SC(=O)NC6=O)C(C)(C)[C@H]5CC[C@]24C)[C@@H]3C1	245229001	LAPUCWPKWZCJAA-GDGJGIQHSA-N	703.740	7.687	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(Cl)cc1	408541177	FEGKOFITIPXROA-NVMNQCDNSA-N	541.785	5.934	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542462	LROOREVQZCXORY-WCMJOSRZSA-N	645.348	5.895	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1cccc(C)c1	408566595	APQSTLFFJBROGI-GRSHGNNSSA-N	553.375	6.657	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	408567418	DPZJHKZLXBJARK-FJEPWZHXSA-N	631.570	6.133	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(I)cc1	408569477	OCLDKULNEIZGJW-WQRHYEAKSA-N	539.348	6.348	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(Cl)c(Cl)c1	408585461	FDHVPPFBZGYHDB-WCSRMQSCSA-N	700.956	9.153	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc(I)cc1	408711922	QQPWXCOWEHAKNX-RWPZCVJISA-N	540.788	6.441	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1	408727971	UDNNDQDKRFGUOS-MZJWZYIUSA-N	514.003	5.609	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(I)c(N(C)C)c(I)c1	408738854	WIWLHYPEOCBHQL-VOWJQMTESA-N	708.382	5.385	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408744570	MCEIVBXYPGSMNF-GRSHGNNSSA-N	617.237	6.185	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1	408744711	GPBAPXLKACHQNJ-BKUYFWCQSA-N	639.287	7.340	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)c1	408745542	NPTZAISUUZONCJ-JMIUGGIZSA-N	628.264	6.449	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408746343	RWXSMWUXHNGRLX-ZDLGFXPLSA-N	538.354	5.499	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)NCc1ccccc1	408747251	LCPIOLLKAGSKHF-NDENLUEZSA-N	620.228	5.698	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408752782	CCGLQMBGGJAVLJ-ZHSUKTGHSA-N	591.373	7.884	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)N1CCOCC1	408762208	AFPFHXQUFSJJJG-UDWIEESQSA-N	556.254	5.710	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)c2C)ccc1I	408773267	HSFFAHATUKPAAQ-KIBLKLHPSA-N	631.106	6.002	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408788860	GBOLXDUPXWGFSL-AWNIVKPZSA-N	528.186	5.252	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(F)c1	408791547	YLYBKKDDDCNCAA-GIJQJNRQSA-N	540.345	6.020	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408793077	NDCHDVYGPAFEPK-VCHYOVAHSA-N	699.124	7.091	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408815394	QDNIFJRMXIQTDO-OEAKJJBVSA-N	588.445	7.195	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc2c(c1)OCO2	408816299	JGLVFGZAXWAWIO-JAIQZWGSSA-N	535.369	6.170	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc(Cl)c1OCc1ccc(Cl)cc1	408817261	VNXMUKPCWBQNMF-VCHYOVAHSA-N	531.823	7.179	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1	408817844	YNAXVQFRMVYQDO-OJYCWLPVSA-N	582.473	7.697	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408818375	PNIKZVWOTXCKNX-OCKHKDLRSA-N	576.274	6.575	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)OCc1ccccc1	408820629	XNVYBNCTLGILLG-HEZBAJEJSA-N	704.419	7.260	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408825661	BKIMFZSTSUBLLW-XZYGTATASA-N	664.622	6.616	50	40	KKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408825887	BFBNJJZFFBTSQS-VTNSRFBWSA-N	542.060	6.311	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccccc2Cl)cc1	408826468	GQMXBJZWJPVIEO-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408826679	IUSWVMISONLWKG-ALQBTCKLSA-N	597.615	5.639	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)cc2)c1	408830495	OJZUJYTZLRCGIE-NLRVBDNBSA-N	509.005	7.352	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408831208	QHKQXDORZGFCPS-OEAKJJBVSA-N	648.897	7.723	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c(OC)cc1Cl	408836182	ZQEORLXBWNWQKI-RQZCQDPDSA-N	606.698	7.007	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)c1ccc(C)cc1	408838026	BKLLKMPUTTZGGU-FMFFXOCNSA-N	551.599	5.638	50	40	KKGB	
COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408838929	KIXGPZHEPLEYQB-KVSWJAHQSA-N	531.852	7.286	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1O	408849473	ZABYMMXADQVAIR-KKMKTNMSSA-N	558.841	6.048	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2Br)cc1	408881213	KGCQIEZEJOFTQI-LDADJPATSA-N	556.394	5.288	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1Cc1ccccc1Br	408881614	JMEMUSRDZCCUDB-PCLIKHOPSA-N	693.379	8.168	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1C	408890270	QOTULZAUXMPEKZ-CCVNUDIWSA-N	570.534	6.587	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(I)cc1	408890944	IRZCVOULMFCQND-QGOAFFKASA-N	525.302	5.324	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2Cl)cc1	408892047	ADWGYPOQOGUOIQ-MHWRWJLKSA-N	501.753	6.420	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905563	ZHNZWLPKDTYPQZ-BCHBDCPOSA-N	563.191	6.753	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408923404	IIVIRRBENRNRHQ-ZXVVBBHZSA-N	652.066	8.290	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(I)c1	408942572	GFTXQYPEZICZDQ-HHHXNRCGSA-N	828.442	5.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408944174	IQAKXXSOWUDEPU-MHZLTWQESA-N	832.342	6.825	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)c(OC)c1	408950867	HSSMRSCSDYZPIO-VVYBVRPNSA-N	675.953	5.955	50	40	KKGB	
CC(C)COc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408971015	COHMHRIAYHBVBL-LATOVMRQSA-N	556.490	5.673	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(I)c2)cc1Cl	408982093	FQSXZQADBVQVSW-JMIUGGIZSA-N	553.787	6.249	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408985108	VHLBHTIUKKURDL-NVMNQCDNSA-N	603.800	6.295	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)c1	408991912	PFBGUQZSXVWHFZ-LASRHNSSSA-N	637.743	7.198	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccccc1	409019295	QMUFZTAPNUCBNV-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(C)C)cc1	409046764	LVHBQIQDEYYHDJ-OVCLIPMQSA-N	508.210	5.801	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	409051492	AMJWQGOQQRMGII-MUFRIFMGSA-N	606.926	5.017	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409073158	XVBPTGSTULXOLI-LDADJPATSA-N	531.417	6.014	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409073275	LTONKLUGEVZRMM-WGOQTCKBSA-N	510.590	6.254	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1	409075644	ZKNYQVHMMQJPKZ-NTEUORMPSA-N	523.781	5.666	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409089174	HQTLFINXWHVGNV-VCHYOVAHSA-N	581.379	6.619	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409124092	JCADSBGWSWHZKW-VWLOTQADSA-N	560.909	6.608	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(CC)cc3)c(OCC)c2)cc1	409163136	MIGSHHRLZZIXAV-HNSNBQBZSA-N	595.096	5.586	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2Cl)c1	409222402	CCSPERPRYZTSNR-UHFFFAOYSA-N	532.383	6.229	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409224383	JTLBALDMQZPENJ-UHFFFAOYSA-N	724.620	8.407	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409225590	RHOWPHYIPUIJMI-XDHOZWIPSA-N	568.855	6.373	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)NCCCc1ccccc1	409234609	LXMMWNFUONBFDU-BKUYFWCQSA-N	544.276	6.991	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc2ccccc2c1	409241127	RKNJATYIJOHFIA-YIRYVTQCSA-N	588.445	6.816	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409252180	RCQXQBFFHZRLJZ-YBEGLDIGSA-N	622.246	6.170	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Br)c1	409253823	CAXANGFFUYFOFU-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1C	409257239	PHDODTRHFKMAAF-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)cc1Cl	409261623	CAVZSHBZKLUJHZ-DJKKODMXSA-N	528.823	6.196	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc(Cl)cc1Cl	409263148	AOFOMMTZFXCFKL-RPPGKUMJSA-N	504.326	5.262	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)ccc1OC	409310977	DLIGVBUIOJLFNB-MNDYBZJGSA-N	560.434	5.581	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC=C)cc1OCC	409311889	CJIKORZUAFWQTN-QFEZKATASA-N	538.236	5.504	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC	409313650	QMKHEFKWQYHJDJ-FDVSRXAVSA-N	590.389	5.355	50	40	KKGB	
CCCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	409354748	ARIKXIHYCBFFQN-WCMJOSRZSA-N	613.965	7.921	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(N(C)C)cc2c1-c1ccccc1	409395162	KMQZPLUYUICRNI-UHFFFAOYSA-N	645.941	7.309	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Br)cc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409397157	GYJZIRVWGOMFAE-UHFFFAOYSA-N	725.423	8.693	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409397486	KJEVNMSZNCFHCD-UHFFFAOYSA-N	566.455	7.143	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409400500	DLYCZYQLLUYGCV-FRKGHFGRSA-N	666.989	8.968	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)o2)cc1	409405063	RXRKABDDFNXZHK-WBIBEUCMSA-N	577.084	7.686	50	40	KKGB	
COC(=O)[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409407313	ZJOKPZQNUHBMFT-IZKGUHRSSA-N	641.462	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	1529549457	ZOCFTCCJOXIMFT-UUTVKSQHSA-N	672.001	5.567	50	40	KKGB	
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCNC(=O)COc1ccc3c(c1)CCCN3C(=O)CCl)c1nnc(C)n1-2	1848349809	XIYYDTXOEVAZGI-PMERELPUSA-N	796.778	5.052	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1	935378	SOIORIDFEMAAPF-AZJLSSPBSA-N	577.287	6.092	50	40	KKGB	
N#C/C(=C\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2cccc(Br)c2)cs1	1829524	NPRMEWLFGKJFNR-JLHYYAGUSA-N	518.314	6.674	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc(C(C)(C)C)c1O	1877476	AYUODPFDSJVVRX-XODNFHPESA-N	563.214	7.027	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	2072913	YXBLVBXEWVFHEO-SANMLTNESA-N	578.521	7.070	50	40	KKGB	
CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3cc(C(F)(F)F)ccc3Cl)C3=C2C(=O)CCC3)s1	2187809	YIDSHHCWISIMQS-NRFANRHFSA-N	505.993	7.023	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC3=C2C(=O)CCC3)cc1	2312110	PNQSTTKQENCUSN-RUZDIDTESA-N	508.043	5.848	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1Cl	2706515	NPACXQDNYMSOQZ-UVHMKAGCSA-N	561.292	6.246	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12	3174715	HDJCLNOHALMXRU-WKULSOCRSA-N	523.814	6.364	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1cccc2ccccc12	9323119	DSBROQKILKQQKY-KPGMTVGESA-N	501.945	6.246	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C)s3)nc3sc4c(c3c2=O)CCCC4)cc1	19861359	KVBXSYSSVMXQFD-ZMFRSBBQSA-N	508.694	5.247	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3c(C)cccc3C)=C(C)N2)cc1	20347507	LUZXQKOKJJONRX-HHHXNRCGSA-N	526.662	6.165	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)c2C)c(C)c1	28217244	BYGRUIGWZYZUDE-GOJREDGKSA-N	532.732	6.930	50	40	KKGB	
O=C(CN(c1ccccc1)c1ccccc1)Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1	97951211	RPZIHHLQNDJXRD-UHFFFAOYSA-N	503.538	6.070	50	40	KKGB	
CC(C)(C)c1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	97972311	AHQYSYYNTGRPQK-MWLSYYOVSA-N	532.493	5.632	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	97999394	UOXZOKCTFGTKQT-MHZLTWQESA-N	598.939	7.458	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100125691	XTOSGSOXBKEZAW-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCCOc1ccc([C@H](C)CC)cc1	100229229	MHDZEFJTOWOFCS-VLPDKPCNSA-N	615.756	6.162	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	100343716	CIWGHTVEFBDVRU-HNSNBQBZSA-N	601.729	5.024	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccc(Cl)cc1	101273247	AFNRAIZEDABCPH-XMMPIXPASA-N	528.461	6.099	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)N=C3CC(C)(C)CC(O)=C32)cc1	102574009	XKZMMHGRJAAYMJ-RUZDIDTESA-N	522.070	6.934	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	103844673	BBTARZUEPOMJFS-XYGWBWBKSA-N	597.456	6.771	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	103883823	BBPGAYOKKIKYEA-HFTWOUSFSA-N	534.635	6.068	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\CCC/N=C\c2ccc(N(CCCl)CCCl)cc2Cl)c(Cl)c1	104091323	NQWSYJNONGUVSX-VRONRDDVSA-N	599.261	7.490	50	40	KKGB	
C[C@@H]1CP(c2ccccc2)(c2ccccc2)(c2ccccc2)O[C@@]1(C(=O)c1ccccc1)c1ccccc1	104133485	WXQHBTVZSGKQLB-GUZYMRFCSA-N	514.605	6.876	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)c1ccco1	112254739	SEVVHESZHCMJQG-JXXWLMSOSA-N	556.405	5.553	50	40	KKGB	
FC(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342000	CHXXMFAHVGZKNF-UWTATZPHSA-N	942.051	11.564	50	40	KKGB	
CC1=C(C#N)c2nc3ccccc3n2[C@H](O)/C1=C\Nc1ccc(-c2ccc(N/C=C3/C(C)=C(C#N)c4nc5ccccc5n4[C@@H]3O)cc2)cc1	150348135	SLFVAYAXFQWWPL-RNEWPKOMSA-N	654.734	7.648	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164739742	FSKMHVQXHMGGHV-UUASQNMZSA-N	719.100	7.056	50	40	KKGB	
C[Si](C)(O[Si](C)(C)c1ccc(C(=O)Oc2ccc(Br)cc2)cc1)c1ccc(C(=O)Oc2ccc(Br)cc2)cc1	253575892	VDRWARYEQDNPKC-UHFFFAOYSA-N	684.529	7.191	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)ccc1OCc1ccccc1	408537009	BULQWLVSZLWRRE-NJNWQDHISA-N	723.682	10.181	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408538375	LUDJYGKGLBOMQX-AFUMVMLFSA-N	681.505	8.579	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OCC)c2)cc1	408539692	JLFHSYBTSKMLNE-GKVNEZTPSA-N	645.594	8.121	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccccc1Cl	408550071	DFMZMORIZZQDDO-VCHYOVAHSA-N	538.456	6.939	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc2ccccc2c1	408552715	UWUFQWYXIKNRFI-YDZHTSKRSA-N	554.071	7.438	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1	408565837	BBLZTECTOWKEPP-RPPGKUMJSA-N	548.777	5.371	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	408581347	WHHJWLXHQWCHDF-LZYBPNLTSA-N	523.641	8.061	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1	408608564	HQSFPTZMOXOMRA-WKULSOCRSA-N	528.392	5.235	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408652562	PBWMGHCHTXGETP-HSPNGBHYSA-N	675.176	5.495	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408659508	VWPGKEGJLQMGKZ-IGKZNWNYSA-N	726.076	6.662	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(C)cc1	408726732	UYFJKDLLKIHFRC-QRVIBDJDSA-N	519.439	6.898	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)ccc1I	408746521	DYWAISVSUUKIBD-WCMJOSRZSA-N	613.883	6.704	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408754091	LVWLFJHXFNHYPU-VGOFMYFVSA-N	665.194	6.217	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408754908	LTQPHQZWEUXCLV-AUWJEWJLSA-N	618.194	6.375	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408763007	QWGQPXVWAKCSGO-DHDCSXOGSA-N	535.214	6.863	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1	408764266	QXPSPGDLRMPLFP-STBIYBPSSA-N	503.396	6.344	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1	408776781	RHUFSICCUXFQGC-CHHVJCJISA-N	543.174	5.203	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408788574	DPAUUKOSHHSWKN-YBFXNURJSA-N	583.338	5.111	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1cccc(F)c1	408791705	BCZXUWAQYYYCIY-CIAFOILYSA-N	523.402	6.674	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(Br)cc1	408794314	RXNRJFHAWUMQCJ-PCLIKHOPSA-N	662.378	8.314	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408797482	SBULOXFHSUHXMY-LZYBPNLTSA-N	573.197	5.950	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccccc1F	408819978	SFSVLBDPGZJUNH-STZFKDTASA-N	548.355	6.708	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccccc2)cc1Cl	408829823	QKPNNKNYVCCPMI-LQKURTRISA-N	552.996	5.162	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408831834	HLIWCFKQHWCFOS-WPWMEQJKSA-N	563.610	7.006	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840871	CPGQKTRLDCUPQY-CDLBOOTPSA-N	658.010	10.010	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408848962	XJRSFZTVHXPUHM-APSNUPSMSA-N	509.816	6.855	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408856075	PFMNTZNCIGJTNP-QDTIIGTASA-N	617.250	6.608	50	40	KKGB	
Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	408866080	FNIRQFVZCYGVMN-CIAFOILYSA-N	513.357	7.221	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2ccc(C)c(Cl)c2)cc1	408869996	UJFFEJDPQHKXOK-IPPBACCNSA-N	523.964	5.321	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2cccc(C)c2)cc1	408881593	NQHWBUVIWWHLRM-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1	408887922	UVUIZKCQHOGIMZ-LQKURTRISA-N	503.352	5.594	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OCc1ccccc1Cl	408890843	HICMCJROZTWPJE-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408891117	LRSLSBUVQDRYHD-CIAFOILYSA-N	568.411	6.137	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc(C)cc1	408904335	HZRPBRIUODMUJP-WKIKZPBSSA-N	561.274	6.572	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408921452	AWNDBGBBWUEJHK-LZYBPNLTSA-N	611.117	7.652	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc(C(=O)O)c1	408944597	MZEQAYRTDCGDHT-DBSPGSINSA-N	699.545	7.497	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)NCCc1c[nH]c2ccccc12	408946825	BFENNTXEGBHUBG-QRVIBDJDSA-N	525.406	5.647	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1O[C@H](C)CC	408951750	UYKKRLLWYJIGDR-ICMWUGKSSA-N	530.068	7.446	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408971748	KQZPLSNZKBAGQY-AMUKHSJYSA-N	624.952	6.871	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)o1	408974276	DSNQZUJRKFLWDL-YCPBAFNGSA-N	655.057	6.447	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408982078	FNIHVHDXTLHXGK-RQZCQDPDSA-N	580.693	7.851	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(F)cc1	408983006	JOMKPQPUMLABFX-YBFXNURJSA-N	543.820	7.073	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3cccc(C)c3)cc2)cc1	409018193	YIGQUXJOQWQJJF-RCHUHPAVSA-N	637.692	7.158	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	409018351	URECCSDMMQMBAE-SZWCFKJTSA-N	561.422	5.610	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409029963	BAWJOUYXSBNFDX-KCSSXMTESA-N	539.060	7.550	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	409047907	PYQHIAWGMZIZNW-GIDUJCDVSA-N	560.186	8.444	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409049599	XAUJXDIZVZXZJY-KKMKTNMSSA-N	639.244	5.112	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1	409054994	HNUAWCIMQNANIX-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1)Nc1ccc(Cl)c(Cl)c1	409165869	BCGXGJBQUQNXPP-IPBVOBEMSA-N	554.217	5.407	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1	409170017	SKMPQWFGZNGOFX-IURWMYGYSA-N	683.330	5.720	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	409186191	YLRQFAPVKKMTLL-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409199070	AYUSFXFHCYBDOY-KVSWJAHQSA-N	580.863	5.510	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c2)ccc1OC(C)=O	409223582	GICXBAVRAICXQS-UHFFFAOYSA-N	709.347	6.381	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OC(=O)c2ccccc2)c1	409226654	QIOQNENTVPUDCS-UHFFFAOYSA-N	527.964	5.584	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	409231315	JUQFMASXBROVMM-HAHDFKILSA-N	598.335	6.845	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1	409252804	TXQANFCTDSBTCP-UHFFFAOYSA-N	614.384	8.516	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	409320472	BFTQILYQKVBNAA-UHBFCERESA-N	549.421	5.971	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409321956	JZTWKQDFVXJEEZ-YKQZZPSBSA-N	509.002	6.045	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	409322942	YUCYAQFRYMZLFV-CAQPMQTCSA-N	688.394	6.721	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	409372759	JKPUOAUKVJLJOR-WKIKZPBSSA-N	572.213	5.263	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1	409373965	XIHAJCJDQKOLDC-BCHBDCPOSA-N	527.191	6.480	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(OC)c1	409374107	YGQDBNJCEWXPHL-FJEPWZHXSA-N	518.953	5.552	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)cc1	409376757	AVKSPKDRSJYJER-SFQUDFHCSA-N	524.346	5.160	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409394953	HZDDRCJRZKJGMV-UHFFFAOYSA-N	661.306	7.072	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)c1	409395401	NDXQOLZWNFSHQA-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccco1	409396050	VTPJXINBBKIFES-UHFFFAOYSA-N	767.599	8.194	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409396084	WFLHRBXNROVUCD-UHFFFAOYSA-N	799.528	10.066	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)c1	409397859	OTTIADHHNGEDMY-UHFFFAOYSA-N	542.422	7.433	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3cccc(C(F)(F)F)c3)o2)cc1	409409695	QCPUWNWXTMGRIH-FRKGHFGRSA-N	636.026	7.921	50	40	KKGB	
O=C(OC(=O)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl	885164212	STQZVNNBVMTPTQ-WCTZXXKLSA-N	708.815	7.879	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	1529544899	SPXYBPZBVPHHAS-PDQWDMBESA-N	783.472	6.071	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)ccc1OCc1ccc(F)cc1	987147	OYCKHRUPRQFLTI-QHCPKHFHSA-N	502.571	5.700	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccc(Br)cc1	3092052	VSQIHIBNHGAKLL-OKCVXOCRSA-N	553.453	6.028	50	40	KKGB	
O=C(CNc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(Cl)cc1	3148296	ROXGVXVMRABZRV-QPSGOUHRSA-N	524.438	5.190	50	40	KKGB	
CCCOc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc(C)c(C)c3C(=O)OCC)cc2)c1	6167407	JOKMJCCDXDYIEO-WMMCOQJOSA-N	551.665	5.500	50	40	KKGB	
CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2cccc(OCc3cccc(Br)c3)c2)cc1	8385183	NYIBGDFRDBUDAN-RUMWWMSVSA-N	567.524	7.297	50	40	KKGB	
O=C(N/N=C/c1ccc2ccccc2c1)c1nn(Cc2ccc(Br)cc2)cc1Br	8780712	UEJGVZZAMOBZHW-BRJLIKDPSA-N	512.205	5.374	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1cccc2ccccc12	8812099	BDVAZQZTYGFFJS-WKULSOCRSA-N	507.359	6.093	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccccc1I	12555973	GNBBBZINAHJOCA-QGOAFFKASA-N	514.750	6.069	50	40	KKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1	13688913	NXVJIBDAJQLPPG-KFRXSKPZSA-N	516.066	6.748	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)c2C)cc1C	28217246	JAVSLKKOSPICQX-GOJREDGKSA-N	532.732	6.930	50	40	KKGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl	33355391	VSKZXDTZRHUWIW-IPBVOBEMSA-N	639.135	5.901	50	40	KKGB	
CCCCCCOc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	59377314	IXFZFPNNWMMJEF-VUTHCHCSSA-N	509.444	6.751	50	40	KKGB	
C/C(CC(=O)Nc1ccc2ccccc2c1)=N\NC(=O)COc1cc(C)c(Br)cc1Br	100030084	VDPXFWGQTPRANL-JFLMPSFJSA-N	547.247	5.573	50	40	KKGB	
N#CC1=C(N)OC2=C([C@@H]1c1ccccc1Br)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12	100032461	VHMIBNVOFWGFOR-JOCHJYFZSA-N	538.398	5.115	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCc1ccccc1Cl	100062313	KDBBBMSDCDZRDG-MZJWZYIUSA-N	548.808	5.995	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C)S(=O)(=O)c1ccccc1	100122969	WLMPIDXMLGAISR-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1cccc(Br)c1	100130738	KHKTZVWJXUOCAQ-BRJLIKDPSA-N	535.305	6.003	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240495	JRBHYDPNMSLVOK-WKULSOCRSA-N	539.963	5.103	50	40	KKGB	
Cc1ccc(NP(=O)(/N=c2/nc(-c3ccccc3)n(-c3ccccc3)s2)Nc2ccc(C)cc2)cc1	100926585	DYXYHBQKPAGXJP-BLCKFSMSSA-N	511.591	7.451	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1	100989448	FSILSWCGKGEONO-CKVBZJJFSA-N	583.305	6.277	50	40	KKGB	
CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	101149916	XOSWUIPYHKIQSZ-UJOPUZHASA-N	557.323	6.159	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1	101421491	ATRJIQCADDMRSY-FABQOPTDSA-N	618.546	7.071	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1OCc1ccccc1Cl	102078449	UXOYIIKYZPUZAO-GZTJUZNOSA-N	521.322	7.145	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	102719423	DHCCSUOODNRSCT-GDLZYMKVSA-N	556.663	6.103	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	102808077	VIYGQOSXARJFKG-VWLOTQADSA-N	552.578	6.313	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	102808983	LMNJZBHBVLZGED-HHHXNRCGSA-N	563.510	7.008	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889406	QGZOYBMKJPDZEM-WMZJFQQLSA-N	549.002	5.527	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(I)cc2)cc1	104403122	FVRVYFUBHRECLP-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
CCN1c2cc(C)c(/C=N\NC(=O)c3ccc(I)c(OC)c3)cc2[C@H](C)CC1(C)C	208318517	URBBLJCWFYWUDM-JAYSCUBMSA-N	519.427	5.484	50	40	KKGB	
N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(Br)c4o3)o2)cc1	209533989	ATMYFRHZECUMBH-OPEKNORGSA-N	513.145	5.853	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408538884	CYKVQDFFDOPCDZ-KYHGBAKBSA-N	579.878	7.033	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408545091	YZZHUZBSICULRA-LSCVHKIXSA-N	637.257	6.820	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552051	NOXHYTSVQKVTEN-MBTHVWNTSA-N	500.382	5.102	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccccc1Cl	408552458	IQJWQEOMDWOEPO-YBFXNURJSA-N	596.934	7.438	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408599048	NXLMUISMHLKJRZ-QRVIBDJDSA-N	518.838	8.298	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408640244	HRNKKCBYTXYJNH-FUEZWAHWSA-N	631.148	5.544	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5[C@H](C4=O)[C@H]4C[C@H]5[C@H](Br)[C@H]4Br)c(C)c3)CC2=O)cc1Cl	408641198	LBLXNTAUJMTNLK-JTZUZDCESA-N	664.778	5.198	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	408644303	QWIOQKIPJHPWPW-YRXWBPOGSA-N	645.175	5.772	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408660851	XAZBLABEWOLMQQ-HPPKPSBPSA-N	691.631	6.009	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(N2CCCC2)cc1	408676313	HLMLORFARCNJJY-WKULSOCRSA-N	685.731	6.492	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1)Nc1cc(C(F)(F)F)ccc1Cl	408683083	HIQDFORVMMSUOI-IUOSPEFCSA-N	589.781	5.124	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408727002	XPCWNAFMVUKKQS-MTJSOVHGSA-N	597.409	6.340	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1	408740164	ACTHZHXTKANTFP-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c1	408744276	DSHDEOJNQONFJG-IUXPMGMMSA-N	625.144	8.042	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)ccc1I	408746216	CKMNOXJKNJZTOF-WYMPLXKRSA-N	507.759	5.125	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747685	ROEVDGZEUVGEHU-PXNMLYILSA-N	591.643	6.898	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747715	RWXOJDPDOABEQM-YKQZZPSBSA-N	560.404	5.323	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408748002	WXXDJMBKXBUGJC-STZFKDTASA-N	562.261	7.489	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1	408752739	JUMOFGHACDZSJM-RIFWXKNHSA-N	618.716	5.341	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)sc2c1CCCC2	408777276	XRVDIGVEMJJPIP-CLCOLTQESA-N	542.705	5.467	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1cccc(F)c1	408789409	PXJPIQGEOVFEJA-KEBDBYFISA-N	556.375	6.180	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Cl	408789468	JKVRXEPFOOWRQZ-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(F)cc1	408792597	LIDBPJYCTRMVHM-CIAFOILYSA-N	570.402	6.571	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1	408793097	CZPFWAMCAWVFHH-BUVRLJJBSA-N	527.418	7.126	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408797196	QHDOWXRWICEIIU-LZYBPNLTSA-N	547.192	6.789	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	408797869	HDOAMWVLLPORAP-RCCKNPSSSA-N	514.423	6.623	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1	408803491	PQOMGIQDEFLFNE-LTGZKZEYSA-N	513.391	6.736	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)cc1	408816615	WKXBEBJZFDUJRS-QFEZKATASA-N	557.444	6.422	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc(C)c(C)c1	408823286	NOVJMVFVHLGTDY-NDZAJKAJSA-N	546.667	7.714	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408825368	BFVPQWCHGXNRED-LPYMAVHISA-N	642.764	9.113	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	408825658	BICXOXDQRHNJEC-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408827688	GAEZFJMXZSPROM-MUFRIFMGSA-N	606.926	5.330	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408831839	SGUPEGGCJKOFKA-LALXJTNGSA-N	801.727	6.349	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408832921	SEVKKLMLHPKNLP-YDZHTSKRSA-N	686.817	9.512	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408836269	ZWUSVJRWAYVLPZ-MHDJOFBISA-N	650.968	6.341	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1OC	408840378	YKZHEYHHALXDET-UVHMKAGCSA-N	538.969	5.496	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccc(Br)o4)cc3)sc2c1	408840900	CZVSUUANRUKQHE-OPEKNORGSA-N	516.804	6.235	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)c1	408846583	TYTNWBZXCBQAGC-ATZGPIRCSA-N	613.051	7.007	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408846599	UCTZKUDEFGKXRN-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1	408847579	NPRXFRULLHTYCT-CAQPMQTCSA-N	523.976	6.828	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4ccccc4Cl)c3C)sc3c2CCCC3)cc1	408848348	UEHPFQPBVXQXHV-QJOMJCCJSA-N	569.130	7.794	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(C)c1OCc1ccc(Br)cc1	408848471	VDORFDKWEAYPNX-KKMKTNMSSA-N	506.227	6.716	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1cccc2ccccc12	408855017	CLVAFHCVAZVJRM-FZKWRIDDSA-N	583.482	7.819	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc(F)c1	408856106	IIVALBHYBLXYKX-DBSPGSINSA-N	582.075	7.987	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1Cc1cc(C)cc(C)c1	408870629	WVLNUQSLSWTKFG-CIAFOILYSA-N	523.858	7.255	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408871776	ZNRXJMGWQKDBQB-MHDJOFBISA-N	722.401	6.597	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OC(=O)c1ccccc1	408887357	PZERPUICRUMJIS-XDHOZWIPSA-N	538.341	5.373	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408890860	HODQSVUPWIETHB-GIDUJCDVSA-N	567.212	7.342	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1Cl	408893937	HCECMRRMDAXWNE-YBFXNURJSA-N	511.361	6.215	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1	408900228	UHBLUNOXZPRDIJ-RPPGKUMJSA-N	502.448	6.425	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408904577	LQTFDDOYRQNUPG-FXMZOFOKSA-N	593.217	6.762	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(F)cc1	408942164	FWZIREQQTZNENA-HHHXNRCGSA-N	734.442	5.815	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408964848	HUZGMXWFTBTPJQ-RWPZCVJISA-N	530.493	5.329	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1O	408968696	BHBOISLIKVRCCU-WVMIMECUSA-N	670.331	5.347	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	408969577	QHDFXTVOABMHDE-RMHKSNDYSA-N	608.478	5.685	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408972813	VVFXLDZDLGOAJL-MBPMXQBASA-N	792.352	8.141	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408977819	FTQDMTMGHURMGX-AWLRXGSOSA-N	602.669	5.051	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1Cl	408985905	YRWVSBNLQDLUOU-SOFYXZRVSA-N	585.112	8.496	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409007180	URVOMEWNPIYYSW-RGSGHPEVSA-N	606.591	5.545	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)Oc1ccccc1/C=N\NC(=O)c1ccco1	409012579	KNAYKOUGEXQVQW-LIPTWAHBSA-N	559.372	5.644	50	40	KKGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc2cc(Br)cc(I)c2o1	409014313	XCXJJCICLUNWSE-LSFURLLWSA-N	508.113	5.045	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020725	SMRXNCKEVCNQDC-XZYGTATASA-N	616.556	6.707	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OC(C)=O	409035256	RSDCIZMMFSDQHP-RWPZCVJISA-N	565.367	5.204	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409045677	GZQBHOQIHGQTFW-XDHOZWIPSA-N	579.394	6.221	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	409068703	HPVKYLVXHOCCRH-XDHOZWIPSA-N	590.395	5.738	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCc1ccc(Br)cc1	409071871	LVNVKRJEBDMFOU-KGENOOAVSA-N	521.386	6.450	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	409112753	CSAIXJUKCKKRSO-MWAVMZGNSA-N	542.101	5.794	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	409149939	WDBRWKBEEMCWNQ-CCVNUDIWSA-N	583.253	6.269	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	409165393	XSWMPRBRSGKQJP-FJEPWZHXSA-N	532.855	6.793	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	409165773	BHTVAGISAACZLV-WCMJOSRZSA-N	585.444	5.063	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	409175494	ZLQDTWISWGVIGS-PGZWCMOXSA-N	652.492	5.056	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccccc2)cc1	409185487	LXGXKLATGHAVFJ-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409189301	PAZWEZGRQHGYOF-WQRHYEAKSA-N	514.376	5.301	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Cl)cc3Cl)cccc2[N+](=O)[O-])cc1OCC	409220414	YXZBJHGPSQMKOH-MUXKCCDJSA-N	546.363	5.682	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	409221699	AASLCPATJXSKNA-UHFFFAOYSA-N	621.285	6.447	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409224648	LOLIEUIVROCNMM-UZFKWVSXSA-N	568.973	5.883	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cc(OC)c1OC	409225472	QBGPRIHTUMOBAL-UHFFFAOYSA-N	755.372	6.202	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409228128	UKYKWQPUGYRGLQ-QREGZJMFSA-N	574.302	7.518	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2I)cc1	409230063	WSUGGWZHNAAZBD-WKIKZPBSSA-N	628.223	5.615	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1Cl	409260170	LYQDXVXCEUTLKQ-FRKPEAEDSA-N	582.793	7.537	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccccc1C	409264705	RGJUIKZYSHHNPI-BKUYFWCQSA-N	595.437	5.870	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OC	409320167	ACDVXMVYLLQBCM-MWLSYYOVSA-N	586.439	5.896	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409323123	NKIULPJAZUXXEA-ZHZULCJRSA-N	504.464	8.022	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394777	FSWFOYWSEFUQPJ-UHFFFAOYSA-N	528.395	7.125	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409395613	PUENMUOXMQVDQI-UHFFFAOYSA-N	758.692	9.376	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395814	SAFNTNGWDDCJMW-UHFFFAOYSA-N	589.007	7.533	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396173	DPJXKPXZFUZFNM-UHFFFAOYSA-N	583.644	7.379	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396320	LEJJQUGIPMVSTG-UHFFFAOYSA-N	547.611	6.534	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409396724	ALDOHEUJZWDDRX-UHFFFAOYSA-N	576.609	5.621	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409397618	LYLNEBKXWOMJEQ-UHFFFAOYSA-N	537.019	6.537	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccccc1	409400093	BIFSJYFDKCNYGH-QJOVZPHJSA-N	642.550	7.770	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1cccc(C)c1	409403029	YGLOVFZINDTLKA-WBIBEUCMSA-N	598.099	7.579	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OC(C)C)c(Cl)c3)o2)cc1	409404737	QUKIHPMTTUVCEJ-UHBFCERESA-N	506.002	6.471	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)o2)cc1	409405077	RZLGHJPMTMQKIJ-AEUUOICLSA-N	588.491	7.916	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)o2)cc1	409409711	QIPQFBGCQDQMTI-ZMGVVAQMSA-N	548.426	7.597	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1	1829386	MGSWNNCVPJQNKD-ZCTHSVRISA-N	543.693	5.882	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	2210497	CWEGBPGOJGOAJS-HHHXNRCGSA-N	534.125	7.120	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1cc(Br)ccc1O	2345667	WCQKBHBXBKQHJL-LGJNPRDNSA-N	548.894	5.814	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1	3102499	PEIBREVSMSOTJF-RPPGKUMJSA-N	566.633	5.613	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1	3377473	IDSPCXCUZSLXHH-ALQBTCKLSA-N	557.589	5.084	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)NNP2NN=C(CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)O2)cc(C(C)(C)C)c1O	8453757	CWYAQQCTQYIZSV-UHFFFAOYSA-N	612.796	7.634	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc(I)cc1	9202129	GXENHPUAKRZRJF-CVKSISIWSA-N	514.363	5.341	50	40	KKGB	
COc1ccccc1/C=N\NC(=O)COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1	9353316	BFEUZCRJKFVKRU-APTWKGOFSA-N	522.004	6.760	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccc(Cl)cc3)c2C)c1	20243675	KCMBCCFPJQWIIT-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1cccc2ccccc12	59447336	PSQOTTAYJRBECU-STBIYBPSSA-N	503.396	6.344	50	40	KKGB	
CCCC[C@H](CC)CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1	97946312	SCLJTPCEDWJYJX-JJBJMVQMSA-N	567.133	8.011	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2	97965810	JHIHDCXNGMTXPV-LPYMAVHISA-N	541.405	5.313	50	40	KKGB	
O=C(N/N=C/C(Br)=C\c1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12	97980831	WWUAYPOUSMIQKP-IYHPVWADSA-N	532.441	7.720	50	40	KKGB	
O=C(NC[C@H](Cc1ccccc1F)c1ccccc1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	98007331	LSYQWUVAYAWTJO-QHCPKHFHSA-N	537.484	5.050	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccccc1Cl	100885425	SGWFXPLATXRJEA-YUMHPJSZSA-N	540.874	5.983	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	100988407	PHHRKJBYYFUAEA-GPXZHFRMSA-N	563.293	7.365	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3SC(N)=C(C#N)[C@H](/C=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@@H]3C2=O)cc1	101003400	HUSONRRFIFIIQC-UJMZIEMYSA-N	536.440	6.190	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	102078607	OHXIRQRKXZMVKX-YDYXIROLSA-N	563.433	5.731	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)N(c3ccccc3)c3ccccc3)N=C3CC(C)(C)CC(O)=C32)cc1	102613367	BIGNQXBYPVHPCB-SSEXGKCCSA-N	549.696	7.699	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cc(Cl)ccc2Cl)N1	102808825	ZREKQMSFJQZRGX-SANMLTNESA-N	583.928	7.353	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2ccccc2c1	103888544	VDTHCXALYWTEMS-PKAZHMFMSA-N	537.457	7.764	50	40	KKGB	
CC[C@@H](Cl)COP(=O)(OC[C@H](Cl)CC)O/C(C)=C(/C)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161330	UTGSMHSGIYXBKS-YJZAXOBZSA-N	594.277	8.692	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)Cc2c(F)cccc2Cl)cc1	107143390	LXKIJJZESAKUEV-VVEOGCPPSA-N	541.954	5.148	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	112255470	XZXKWVDTQITJRW-AFMWYRBHSA-N	604.504	5.735	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCc1ccc(Br)cc1	137154989	ABFQVGXLCMLZTF-KGENOOAVSA-N	521.411	6.290	50	40	KKGB	
FC(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342264	PPAHETMHFRSKRX-UWTATZPHSA-N	792.030	9.658	50	40	KKGB	
CC/C(=C(\CC)c1ccc(O[P@](=O)(Cl)N(CCCl)CCCl)cc1)c1ccc(O[P@](=O)(Cl)N(CCCl)CCCl)cc1	150402392	ANUQECSMIFBKSJ-ILFFAHKQSA-N	713.234	10.428	50	40	KKGB	
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S	150444673	JMXMOZUACNSKMR-LRVMPXQBSA-N	740.546	5.242	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2-c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	150569508	RTZYUCAEXMMUAU-XJECJHNESA-N	697.442	7.834	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795421	PDNQAKHUKXVHDQ-HUUCEWRRSA-N	1000.260	13.872	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2OCC)ccc1OCc1ccccc1	408536963	BRYHKRUXOZYLCU-RHANQZHGSA-N	655.589	8.567	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408541017	AVEQYUGFOJWDNY-JMIUGGIZSA-N	555.324	5.339	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408545212	ZYPTYQGBPOBJRI-JAIQZWGSSA-N	533.968	5.309	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c(C#N)c1C	408546391	IQSHNQUAGBDTCT-KEBDBYFISA-N	535.021	6.065	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1ccc2ccccc2c1	408549121	PKOROSVKMGIEKC-YUMHPJSZSA-N	537.400	8.241	50	40	KKGB	
N#C/C(=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	408551533	DRHKOYPYQQMWAM-CPNJWEJPSA-N	507.575	5.955	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc2ncccc2c1	408570031	ROQKMSDJBRSRDM-MUFRIFMGSA-N	502.665	5.650	50	40	KKGB	
O=C(NNc1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408610434	UHHZHWDGSQPJRA-OAHLLOKOSA-N	504.801	5.722	50	40	KKGB	
COc1ccccc1Oc1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	408636577	AMJZQMDGDNOLGG-KBMIEXCESA-N	525.960	5.403	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408639029	DYFUTCFHXDIGFY-NFYRHNLVSA-N	722.038	7.163	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccs1	408644399	RBOQVJARQLTCQI-KBXIAJHMSA-N	623.150	5.217	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408648136	JQOFMWFSDQQILI-OPYAIIAOSA-N	537.802	5.321	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)cc1	408648270	JWMJYJXGMSGANU-IKIOOZCCSA-N	763.266	6.539	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408650152	ZOVOWJHASHKWCN-CRSSMBPESA-N	610.730	5.281	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1ccccc1Cl	408710735	YCBKLKVFQKPMJF-CCVNUDIWSA-N	547.833	5.861	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Br)cc1	408727445	YLRFUXVSJJGKSG-NDENLUEZSA-N	617.281	6.886	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)o1	408743198	RLVQRWYBPNKKBT-GOJREDGKSA-N	582.616	7.752	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1Br	408744100	YREYEJFXQHYMPT-QNKGDIEWSA-N	550.456	7.346	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(Br)c1	408752361	DUDOKWQCEQWWOI-UUASQNMZSA-N	659.987	8.406	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cccc(I)c1	408758397	JQEBIKWCVSRLKB-XYOKQWHBSA-N	519.682	5.658	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(Br)c1	408765521	LSLASCGEENWUBV-GDNBJRDFSA-N	509.272	5.603	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408781773	FQSQUMDAENFKME-NVJOKUIPSA-N	599.303	5.570	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)cc1	408787528	BIGOQRARQPFELU-UDWIEESQSA-N	525.830	6.798	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(O)cc1	408788883	MULKXEDCYMTIRI-CXUHLZMHSA-N	546.190	6.181	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(Cl)cc1	408792868	BRYIXKZDCRWYKS-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408793392	OQNMSYLJOLRNRO-RQZCQDPDSA-N	553.325	5.399	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408793847	QIVOCAPFQSHHBI-GIJQJNRQSA-N	512.349	6.425	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408798966	XNHWWOQGIKSVRK-VCHYOVAHSA-N	569.311	5.022	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408799486	ZGWHTKFLPJCHGH-OEAKJJBVSA-N	663.322	7.823	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408803886	BFUSKUYACGXDGJ-MTDXEUNCSA-N	680.542	8.465	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408807964	LUIUHHJFOQKMNM-RQZCQDPDSA-N	532.221	6.889	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408833629	TZAGJAGOPBBYCG-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408846983	SASKBTLAXLGLHQ-UHFFFAOYSA-N	518.809	6.189	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408848858	WMBSFUIQXGFSJT-VTNSRFBWSA-N	588.041	6.782	50	40	KKGB	
CCOc1ccc(NC(=O)N/N=C/c2cc(OCC)c(OCc3ccc(Cl)cc3)cc2Br)cc1	408858339	YJZNFOLPJNBSNP-RWPZCVJISA-N	546.849	6.635	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408860043	RBXJBMBCLNNXAY-YLYVUXRMSA-N	745.401	7.708	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2cc(Cl)cc(Cl)c2)cc1	408861597	TUYNEWDFEQVIQM-XAZZYMPDSA-N	611.334	7.214	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408869829	UFAPERPQPWGIHN-ZVDFNDOMSA-N	655.796	5.747	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1Br	408883173	RTNSZRVHBUURNC-VCHYOVAHSA-N	546.248	7.198	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OCc1ccccc1Cl	408884052	XPTCEYYARZQTEW-MWBNBJEGSA-N	677.023	7.916	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(Br)c1	408890641	WZJDLMRIYCTESQ-KBKYJPHKSA-N	601.520	6.970	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)c(Br)c1	408891946	WDHAISASSBVEBQ-LFIBNONCSA-N	595.118	7.952	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)c1ccc(Br)cc1	408958623	ZNPVSZHZMVEVHD-AKPHKBQKSA-N	590.477	5.411	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408963331	NDRGBCVAIJGVFX-KVSWJAHQSA-N	603.176	6.415	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408969917	WVUQYDAZHURUJT-UVCDUWBISA-N	619.332	7.205	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408970282	FGXFQCXBJFZWFF-OZHFBSLVSA-N	586.516	5.826	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	408970627	JKSJABVSLQRBES-WSAUHSMZSA-N	594.451	5.597	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408971446	ONJZFDXIGUVHGD-KOPMUBDUSA-N	669.403	6.980	50	40	KKGB	
COc1ccc(OC)c(COc2ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)cc2)c1	408981589	VXRHDJRFZQSIAK-BQBNFOSNSA-N	587.698	5.151	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)Nc1ccccc1	408992083	QJTLRDBLZNYUCV-ROTLSHHCSA-N	641.203	5.329	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)cc1	409002999	XWRBLOPRWRCRSZ-STBIYBPSSA-N	549.412	6.042	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409009662	BCUJINUEMIPGHO-KPVYWFEOSA-N	768.958	10.459	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c1	409025463	VGTULTGMLIMDDG-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1cccc(F)c1	409029872	BVHAEJHVWOGVFN-KMUKQRDJSA-N	554.021	7.436	50	40	KKGB	
COc1ccc(-c2cc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)cc4)c4ccc(C)cc34)c3ccccc3n2)cc1	409030756	HSUGPDRGIVWSET-CLHYIUPASA-N	573.096	7.948	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccccc4)(c4ccccc43)[C@@H]2C1=O	409031492	GXQQVLZEHWDVOC-RRCLOXMRSA-N	560.053	5.544	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409047429	UIGMSZSUOREPJP-VTNSRFBWSA-N	628.508	7.567	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1ccc(C)cc1	409053677	OCAFRKNIHCKMAV-CCVNUDIWSA-N	562.835	6.303	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	409109528	GRYUEZABOFTKRA-KCSSXMTESA-N	702.958	5.308	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Br)cc1	409134798	QDZHFNHOANVSJZ-QHCPKHFHSA-N	572.253	6.113	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	409135499	ROCFEYOFTUSEFT-FQEVSTJZSA-N	548.206	5.744	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(Br)c(C)c2)c(OCC)c1	409157010	UKYYESVMXPIENN-IBBHUPRXSA-N	723.362	5.266	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1	409157599	RFYHMZUHRUXKGF-WCMJOSRZSA-N	595.494	5.133	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1ccc(Br)cc1F	409157841	RZVWFVSLFBUATQ-IPBVOBEMSA-N	582.213	5.001	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Cl)cc1Cl	409160749	IUICHJORLCNRKR-OPEKNORGSA-N	523.170	6.007	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F	409169403	QHFBWGIOAKCPEP-JJKQSNDFSA-N	641.828	5.626	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(Cl)cc1	409192432	CKJOYLNZKCFSKH-WQRHYEAKSA-N	503.824	6.046	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OC)c1OCc1ccc(Br)cc1	409208942	AXRGNVZVEUKLKH-WKULSOCRSA-N	559.913	6.661	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1I	409216710	KJAQIGSQARZTMT-UVHMKAGCSA-N	561.832	5.638	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccco2)cc1	409223005	FXDBVOUZAUMPNE-CPDSRJINSA-N	556.789	6.475	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1	409225843	MCRDAFLPSVCPJA-UVHMKAGCSA-N	552.771	5.364	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)NCCCc1ccccc1	409234192	NCVBMNKTBNEXFY-JAIQZWGSSA-N	534.270	7.535	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)c1	409257108	QKXLSKVLAQNOJO-QDTIIGTASA-N	589.284	5.618	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409263853	MXTUVIPJDMWEFA-XJECJHNESA-N	738.007	7.602	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1C	409264002	JBBRAYMVZNHGPR-OJYCWLPVSA-N	605.720	7.042	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(OCC)c2)cc1	409272196	PGWXTJCKEKFCAK-KGENOOAVSA-N	578.463	6.118	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409321051	RMSWWFLMRCEUTI-LEWJYISDSA-N	582.893	5.464	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc3ccccc23)cc1OC	409325952	DQYSLNASRCXYOW-MNBJERMJSA-N	545.433	6.519	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1	409327700	WJQGPMPEPGDNSB-DLCNMLRHSA-N	592.479	6.671	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384289	AMGZAYORQKUCEO-LUOAPIJWSA-N	701.255	6.501	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409394840	GNWRWHXCVSERRX-UHFFFAOYSA-N	631.870	7.451	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396245	HYGMXVNMNZFOAQ-UHFFFAOYSA-N	714.922	8.660	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)[nH]c12	409396555	ZAYYJRYYSJIIAD-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1	409396753	ASSAVETXLFBQGJ-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397082	FZLZGSWRNCTIKU-UHFFFAOYSA-N	658.107	6.905	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397281	IHOHCFNBDNPVJJ-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409398590	USMCAPRSRKAYBI-UHFFFAOYSA-N	518.529	5.681	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cn5)cc4)c3C)o2)cc1	409406915	YAKODDXJLXKRHJ-KWQVAVEISA-N	644.688	7.533	50	40	KKGB	
C=CCOC(=O)NCCCC[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	575431802	ZDMMWLUQPVUZQI-ZPGRZCPFSA-N	781.819	6.118	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C[C@@H](Cl)[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F	675083736	MKZGQDFQXQLWNU-GDGAJURISA-N	564.998	7.017	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	1529545949	CCIMEEKXIZSCTJ-IMBFNDCQSA-N	785.342	6.982	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12	1529548381	DZRIGCRAHJIHHU-VYSXRSOESA-N	616.143	5.228	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(C#N)cc2)c(OCC)c1	1529548607	JWUWLOMCKNBHSV-SQTRLNBISA-N	706.619	5.183	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(OCC)c1	1529548619	KAWINCRQQLNREX-RNMNIPMUSA-N	699.599	5.451	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1OC	1883365	HWNWVJDOHILTEW-FOKLQQMPSA-N	509.078	5.134	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1Br	3236849	MXASPDCYCGEHBE-QGOAFFKASA-N	512.201	6.336	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1O)c1ccc(/C(C)=N/NC(=O)c2ccccc2O)c2nc3cc(C)c(C)cc3nc12	8653130	MTNKZUCOJMPPED-CQFWSYKGSA-N	560.614	5.119	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	9200710	DMUDVPZRVWTYMD-DHRITJCHSA-N	502.206	5.863	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(I)cc2)cc1	20197794	WANZMKIEJXMLJK-WGOQTCKBSA-N	514.363	5.423	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	24749267	WXUYXBIMEOXHGB-WUKNDPDISA-N	507.981	5.524	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1cccs1	96933935	MLMUBQJNXLETIB-SANMLTNESA-N	530.675	5.772	50	40	KKGB	
O=C(N/N=C/c1ccc(N2CCC(c3ccccc3)=N2)cc1)c1ccc(COc2ccccc2-c2ccccc2)cc1	97980849	MCGFHXVZUOXSBK-AUGOTPMTSA-N	550.662	7.311	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)n1	98001590	CCHHLFNTWCQFQW-NBWJZYFFSA-N	718.982	5.071	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)cc1	100232790	HWCGZDVGOUJRGH-MTJSOVHGSA-N	539.857	7.243	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100239820	HMQZLFZMZLHBJH-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccccc1Cl	100336640	VWRQDHDQOSXDIZ-ZDLGFXPLSA-N	580.647	7.359	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	101556614	HDXWGYUZNMCLNX-HHHXNRCGSA-N	608.945	6.914	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(F)cc3)=C(C#N)[C@H]2c2ccco2)cc1	102760611	XUCSAWGXTCCFLO-SANMLTNESA-N	560.607	5.302	50	40	KKGB	
CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528489	XVABZZXHJSSODM-OAHLLOKOSA-N	556.335	9.349	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C/c1ccc(Cl)cc1Cl)N/N=C\c1ccc(Cl)cc1Cl	104164799	ZWOVLBCKDNNCGL-CBTGBURPSA-N	544.310	7.021	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	108153882	GLJFIBFFBLRIDW-OKCVXOCRSA-N	543.889	6.680	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(=O)C[C@@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	118913431	XROACRVMHWKIOK-DPJGJPESSA-N	651.008	9.928	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](Br)C(=O)[C@@]21C	123295283	MHOABUMAFPMXIQ-NMAQFLOUSA-N	525.524	5.719	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCCCCCC	150382813	GNAKLUQNTHYFEP-XAYZWHMQSA-N	849.015	14.387	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(I)cc1	164580465	NIUBDJIKQWEQMU-UVHMKAGCSA-N	658.128	6.558	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164734958	JJQPRHSHCWCZKM-NVNXTCNLSA-N	706.987	8.248	50	40	KKGB	
COc1ccc2c(c1)CC[C@H]1[C@H]2[C@H](C)C[C@@]2(C)[C@@H]1CC[C@@]2(OC(C)=O)C(=O)C(Br)Br	169796790	CQPHZFNOXSLULF-CMJCJYQLSA-N	542.308	5.784	50	40	KKGB	
COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1c(Cl)cccc1Cl	245241893	SSGKWBHOBWJMCN-HXUWFJFHSA-N	549.454	7.166	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1	408537666	GSPHDMDHKIKKIL-IMRQLAEWSA-N	553.058	7.751	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408553183	MNHZATYJEVNUPP-GZTJUZNOSA-N	544.822	6.609	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	408554080	YVOJUNFHPWKJKM-NKHVPTTDSA-N	642.923	7.024	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	408569154	MCFJVXQCYNXUQE-VFLNYLIXSA-N	659.398	7.185	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408648771	KEZOZEVOFPPFQR-TURWBDFOSA-N	704.755	5.170	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	408718058	GDODPFVAQMOBEV-CCVNUDIWSA-N	612.393	5.233	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c1	408727702	VYJBHRYCJYHDOO-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccccc1	408735936	ZNLORZAZMITXSM-VXLYETTFSA-N	511.803	6.544	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)Cc3ccccc3)c2-c2ccccc2)cc1	408741342	PFOASYKFXGOITK-JWHWKPFMSA-N	527.624	6.681	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1OC	408743175	VBQOXPYHVYYHGX-GOJREDGKSA-N	606.520	7.911	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745472	MONYJSOTFMNDEK-SXGWCWSVSA-N	564.636	7.129	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408746109	QWLHSASSJHDIDT-BKUYFWCQSA-N	547.836	7.389	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408747025	YAIXMSUMXSJSIG-CXUHLZMHSA-N	600.325	5.763	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2I)c1	408747424	NSLPEQCKJKATTM-ZDLGFXPLSA-N	699.124	7.091	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)ccc1I	408747546	PKELKPRTLMOXSN-KKMKTNMSSA-N	585.225	5.958	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408747677	RMMJFTREYSXXBL-JMIUGGIZSA-N	569.355	5.010	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1	408782105	HKVPSRFVDLAHGG-VFCFBJKWSA-N	558.081	8.798	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2C)ccc1I	408784486	UAQMPLIFFJHMGQ-WYMPLXKRSA-N	548.406	5.158	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798178	VAKOKKVIZHOJMK-LHHJGKSTSA-N	743.981	8.634	50	40	KKGB	
COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I	408798974	XMBSDRGXXAAROC-LFYBBSHMSA-N	578.575	5.412	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408820173	VVDKVUDTUDOEPD-SCVJCBIPSA-N	604.538	6.921	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408835630	ORCFKORDBXLOKR-OEAKJJBVSA-N	608.319	8.460	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839069	MLERKXJINYZMCS-AABVJFSESA-N	635.946	8.452	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccc(N(C)C)cc1	408845016	PYLUJCYMMIKONK-IBBHUPRXSA-N	540.615	6.072	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(F)cc1	408851920	BNUKGIKEPDQNFL-XKZIYDEJSA-N	517.988	6.204	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1O	408853386	RVGNIUAVMCBDQO-YXSASFKJSA-N	546.997	5.198	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)CSc4nc5ccccc5s4)c3C)sc3c2CCCC3)cc1	408857857	PHHFCLNNVOGIIC-FZPRHHONSA-N	613.834	7.447	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1Cc1ccccc1Cl	408868873	NXOHXYMZNUXROU-RQZCQDPDSA-N	526.774	6.156	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1	408871876	YQJATKRJUOYIDY-LICLKQGHSA-N	501.848	6.392	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Br	408883744	WHRDRAPEHNZEQY-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OC(=O)c1cccc2ccccc12	408883755	WJNSZJXMNGEBQP-HMMYKYKNSA-N	531.395	7.310	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2Cl)c(OC)c1	408888336	ZGXFLFXIRLMDFF-UDWIEESQSA-N	572.830	6.640	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1Br	408890773	YYVDOFKKQXLALC-WOJGMQOQSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccccc1Br	408896520	OAJUKWHSUBBIFQ-WOJGMQOQSA-N	619.253	6.283	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OC(=O)c1ccccc1	408898704	MFQJNWMOJOSLFB-MZJWZYIUSA-N	531.790	5.250	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCc1ccc2ccccc2c1	408904770	OIERUWOLWJPQTQ-CAQPMQTCSA-N	535.556	6.574	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(OC)c1	408923077	JADOWGQVWHXMST-GGMOOUJYSA-N	720.404	6.064	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(OCC)c1	408950696	SGWCYOUUVMMOSR-LJAQVGFWSA-N	746.599	5.293	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408951890	JFSSVHHRPVRCAQ-AMUZBVFISA-N	797.430	5.914	50	40	KKGB	
Cc1cccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c1	408954841	NPTQCRLNPUCPJV-NAMQKWHYSA-N	580.471	6.268	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408983657	NDXNJUGPPSJYGS-JMIUGGIZSA-N	569.839	6.633	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1	409002719	PFBLYCAAMOJVHP-WUQZZNSYSA-N	519.001	5.208	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(C(C)C)cc1	409009444	FYRJITSSHCZGDJ-XODNFHPESA-N	604.286	7.095	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	409011526	FZOJDDXKTDFKCE-DZHNLUAPSA-N	617.327	5.413	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	409011527	FZOJDDXKTDFKCE-LTMXGVCASA-N	617.327	5.413	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1C	409018384	WPTPTYNYWDIGAI-MBTHVWNTSA-N	534.663	5.263	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409045808	IDBQQWVCENEZDS-LZYBPNLTSA-N	625.195	7.263	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(Cl)c1	409051746	CHNVPVOQCDJCJG-LUOAPIJWSA-N	526.645	7.061	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2o1	409077379	FGHSUZPOELTWSC-NTEUORMPSA-N	530.256	7.374	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C2=C1CCCC2=O	409128110	INDCGNLVZHXXJS-QFIPXVFZSA-N	533.253	6.065	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409131234	NTRMXJOOPFELQH-RUZDIDTESA-N	510.009	5.441	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1Cl	409142076	QIPXIWXXYNJETE-VATWTLTGSA-N	564.807	5.106	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409145659	JAPHNYDMRXNORF-QFIPXVFZSA-N	548.220	6.267	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)c4cccc([N+](=O)[O-])c4)(c4ccccc43)[C@@H]2C1=O	409179783	TWSOONALUGUXMK-ARJUDPSDSA-N	591.023	5.523	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4C#N)c(OCC)c3)cc2c1	409186643	FXSJIIPEBJCWOT-ACXHZZMFSA-N	517.969	6.098	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409210801	GTZNMFJPXSYMFR-XODNFHPESA-N	533.433	5.912	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409220290	WHRXJRJIIOMOCI-AOUCTADOSA-N	558.421	6.628	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccccc1	409227878	SIEJFFMGJPBOQF-DICXZTSXSA-N	532.353	5.101	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)n1	409229137	KFQJYRIOCWWEPK-NSKAYECMSA-N	692.748	5.777	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409237508	UYFAHHDYUGYNLA-BKUYFWCQSA-N	599.279	6.355	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2C)c1	409250216	LTUYQYXYPGDBQU-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1	409258963	WRHNDWSNWRIYCD-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409267676	WXIZVWAPGBRQCE-RQRWGXNHSA-N	719.061	8.458	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)cc(Br)c4OCC(=O)Nc4cccc(C)c4C)cc3)cs2)cc1	409268210	ZSZKYODVDYUVSO-ADJDCTSUSA-N	747.513	8.785	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409268860	YSJGOIAYYNAYOT-FYJGNVAPSA-N	503.986	5.919	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccccc1C	409271990	XECSDTNOODTVFU-WOJGMQOQSA-N	601.828	5.825	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	409318773	ZLOQLMGWUGDDJQ-UCMJSZAQSA-N	569.614	6.314	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OC)c(OC)c2)ccc1OCc1ccccc1	409319787	LVBVBEHWPXRZCX-DICXZTSXSA-N	560.388	5.050	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccco1	409368340	YSGUELLFIBTMAX-AUEPDCJTSA-N	512.585	5.801	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409371332	CBTUIFJRGNXENO-NVMNQCDNSA-N	557.275	7.983	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)Sc1nc2ccccc2s1	409383986	UAWAYGQXMKGSEE-RQZCQDPDSA-N	697.317	7.649	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OCc1ccc(Br)cc1	409392361	PGIZWUXGNGFDNZ-KPGMTVGESA-N	658.334	6.747	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccccc1	409395056	JIBPHLDXUVPLAT-UHFFFAOYSA-N	511.940	6.611	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)cc1	409395226	LFSJUDUCIQRITJ-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409396252	XIFUCAPNCPEFLJ-UHFFFAOYSA-N	784.889	8.088	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cccc4c3-c3ccccc3)cc2OCC)cc1OCC	409396477	SBVYKTVVZVTLGM-UHFFFAOYSA-N	626.109	7.668	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409396864	CCVFFGPXKDOVEG-UHFFFAOYSA-N	642.506	6.996	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409397232	HQSRLLBWQRDCIM-UHFFFAOYSA-N	616.855	6.963	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3cccc(F)c3)o2)cc1	409400485	DKFCIJGEZPJURG-HQDYHJHZSA-N	582.588	6.656	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OC(C)(C)C	409402619	KGFATUYCBSFSCE-GXBUFBABSA-N	555.675	6.944	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(C(=O)O)cc1	409405383	TVMBNSPXCNMGNH-FRKGHFGRSA-N	765.455	8.231	50	40	KKGB	
CCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409406202	ARYAIJPYMKEARQ-GXBUFBABSA-N	534.660	7.000	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(Oc5ccc(C(F)(F)F)cc5[N+](=O)[O-])cc4)c3C)o2)cc1	409409378	OLUFKNUXWPAXGD-WJUIDDSLSA-N	711.697	9.157	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	1529547571	MIXGRAJTQNTPEC-HBPAGYSFSA-N	855.449	5.268	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	1529548612	JZSRWFZXYOXQRX-GPQOJQFPSA-N	706.048	6.510	50	40	KKGB	
CC(C)(C)c1ccc([C@H](N[S@@](=O)C(C)(C)C)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)cc1	1987970604	VJTIVTACNRPUBZ-QURCADOPSA-N	659.876	9.315	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)s3)nnc2-c2ccc(Cl)cc2)cc1	1882306	SVIALMLYZFTPDL-VULFUBBASA-N	512.060	5.599	50	40	KKGB	
O=C1C(=Cc2ccc3c(c2)CCN3CCCCl)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	2373994	IOLBEQRFIFNHBZ-UHFFFAOYSA-N	502.039	5.426	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2)cc1	3102525	XMKJHULUOMSWQV-UVHMKAGCSA-N	545.231	5.301	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Br)cc1	3177658	ASBKZEKHHBMDDQ-VWLOTQADSA-N	526.392	5.440	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1)S(=O)(=O)c1ccccc1	3765135	HISMSKUSDCMCID-FDAWAROLSA-N	596.934	6.570	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccccc3Cl)cc2)sc2c1CC[C@H](C)C2	6167118	GMCMWSCPIOHNMM-DVHOOAJRSA-N	568.095	5.873	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(O)cc3)nnc2-c2ccc(Cl)cc2)cc1	9357324	HDJAIEVBRBAHLP-QRQIAZFYSA-N	522.030	5.325	50	40	KKGB	
COc1cccc(NCc2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)n2C2CCCCC2)c1	12524919	OSXHFGPUFUKKKO-UHFFFAOYSA-N	515.643	5.338	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c1	97960756	GLFMNVMSALEGGP-YBFXNURJSA-N	588.829	6.477	50	40	KKGB	
Oc1[nH]c(-c2ccc(Cl)cc2Cl)nc(=S)c1[PH](c1ccccc1)(c1ccccc1)c1ccccc1	97966062	REXDTGJSNDZRNE-UHFFFAOYSA-N	535.436	6.170	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C\c1ccc(OCc2ccccc2)cc1	97972300	OPJCTGJSOGNOCH-DXJNIWACSA-N	548.064	5.260	50	40	KKGB	
COc1ccc(N2C(N)=C(C#N)[C@@H](c3cc(Cn4cnc5ccccc54)cs3)C3=C2CC(C)(C)CC3=O)cc1	98008003	PMRWMYPUFLZFKA-NDEPHWFRSA-N	535.673	6.096	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3)=C(C)N2)sc2c1CCCC2	98043578	MEKWHLMRIJOFDC-SANMLTNESA-N	602.738	6.103	50	40	KKGB	
COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3ccc(Br)cc3)CSC2=C1C#N	98048485	CNDDNEQIESLXRE-INIZCTEOSA-N	535.261	5.440	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	98048525	OGQXFYLXDNNNFB-DEOSSOPVSA-N	590.986	6.797	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1)S(=O)(=O)c1ccccc1	100103100	ADVSNGJGVIARAD-KCSSXMTESA-N	592.073	5.271	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1	100117792	YYTCKTQPHWZOKK-OCSSWDANSA-N	545.437	5.524	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccccc1	100122982	HWYHHGDDEREOMR-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1	100135459	IVOONLCYDUPIPA-GZTJUZNOSA-N	552.337	5.139	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1	100221288	OZJXPLWAVMRXRL-VWJSQJICSA-N	535.551	6.049	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1Cl	100336199	GUDDNBKLVHDGNA-ODLFYWEKSA-N	558.803	6.386	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)Nc1cccc(Cl)c1	100404255	UODSGTIAERPAJE-FDAWAROLSA-N	542.979	5.239	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21	100899625	UPWOCENEWAFXKE-GKPLWNPISA-N	504.373	5.593	50	40	KKGB	
N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1	100928801	IOSXXIFARUTNNZ-SFQUDFHCSA-N	577.243	5.894	50	40	KKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	100980456	YUTRFSWAZHGHHB-QIBQIDICSA-N	522.457	6.675	50	40	KKGB	
COc1ccc(-c2c(C#N)c(NP(=O)(Nc3ccccc3)Nc3ccccc3)nc(OC)c2C#N)cc1	102070757	DGFCZEWNEXUGSS-UHFFFAOYSA-N	510.494	6.253	50	40	KKGB	
CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528570	WFMSJRTZJQTRCK-KRWDZBQOSA-N	584.389	10.130	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(F)cc1	103845896	XBJAYPFADINDDG-IWIPYMOSSA-N	558.451	6.643	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889444	VOGPJZFKTMMKHO-NVNXTCNLSA-N	571.085	8.187	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795435	OWLFPIMBQCEKFC-IYBDPMFKSA-N	1014.290	14.262	50	40	KKGB	
C[Si](C)(CCCNC(=S)Nc1ccc(Cl)cc1Cl)O[Si](C)(C)CCCNC(=S)Nc1ccc(Cl)cc1Cl	195816639	POHCPNXQBFCFAW-UHFFFAOYSA-N	656.681	8.780	50	40	KKGB	
COc1cccc(Pc2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c1-c1c(OC)cccc1Pc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1	197021357	TXTJVZXPGUGQAW-UHFFFAOYSA-N	714.908	9.837	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCc1ccc(Br)cc1	216043298	HGCULZQWVAPBSI-MUXKCCDJSA-N	607.286	5.951	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408542803	LDZHWOSJBDDRAA-XYGWBWBKSA-N	527.418	7.198	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)c(C(=O)OCC)c1C	408546132	DHAOCTYAAHSVNV-KOEQRZSOSA-N	567.663	6.861	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCC(=O)Nc1ccccc1	408551293	MXDUZADRFZNJBG-UCQKPKSFSA-N	513.391	6.693	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2Br)c1	408570199	SRAHAGYJQHZVQP-RWPZCVJISA-N	557.535	6.344	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408579172	DAXFJZANJIRUJH-LZYBPNLTSA-N	534.193	7.316	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)c1ccc(Cl)cc1Cl	408579713	JTABZHGGEANLGC-VIZOYTHASA-N	572.511	8.815	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408611397	QVERUCHANILQGK-PNQUVVCRSA-N	540.325	5.689	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408643948	QJNJWWMNQRTFKZ-KKKDIUQISA-N	663.165	5.639	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408652444	ONXKLIDYRUUGPF-IMJYCFMASA-N	568.284	5.916	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1Br	408712104	ZPIYBEWRFWNZBG-LGJNPRDNSA-N	560.189	5.268	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408740918	JDINVIVELLXRQW-XPGZBYHPSA-N	592.655	8.062	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc([N+](=O)[O-])c1O	408743723	XRSDUISDDMQOGB-UZWMFBFFSA-N	532.556	6.198	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408744890	NWKPETVMVHCBAB-JAIQZWGSSA-N	521.367	5.589	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC)c(I)c2)cc1	408745002	OQLIMHJAMZDDNX-ZROIWOOFSA-N	588.183	5.239	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408746324	RUBGFLZIZSQXOA-ZHZULCJRSA-N	513.941	6.389	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(I)cc1	408747475	OKWXEPUVDQFJCJ-JAIQZWGSSA-N	650.254	5.707	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br	408754115	LXJKMWNDGOMNRV-MLPAPPSSSA-N	587.062	5.462	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(I)c1	408759190	ZKANRKCKRTXHIW-RGVLZGJSSA-N	688.157	8.094	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc(Br)c1	408763044	QZFKJZXXLRSMIU-PXNMLYILSA-N	628.091	7.485	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1cccc2ccccc12	408766866	TXBINEJRGGPJKB-KQWNVCNZSA-N	574.418	6.968	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)c1	408788468	KFYDTCZPYWUUHS-YDZHTSKRSA-N	637.315	7.948	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408790126	NXBIJJLGXRXPOX-RQZCQDPDSA-N	638.245	7.030	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408797402	RGWDJSZDCFUROA-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccccc1F	408811246	AIIIYGMHIZWQDU-SXGWCWSVSA-N	611.636	6.971	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408814650	PVVXYKBGVFJGQN-NTUHNPAUSA-N	531.177	5.941	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OCc2cccc([N+](=O)[O-])c2)c1	408821412	HBXRUWLZRHLWCG-LFVJCYFKSA-N	570.001	6.960	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OCc3cccc(Cl)c3)cc2)cc1	408823539	DWRMOUKSQVFHGA-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)c(OC)cc1Cl	408823655	OFRHMXLSDHNWET-CAOOACKPSA-N	636.724	7.015	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408824618	IOOWQXMLCAWEHK-KOEQRZSOSA-N	584.028	7.351	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)o2)Cc2ccc(Cl)cc2Cl)cc1	408825629	BFRLRQPYFJRZNO-JCMHNJIXSA-N	586.541	6.642	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1C	408835263	WXUVPLUHPNEAOW-WGOQTCKBSA-N	557.477	8.314	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1	408837720	MEACWBYHSHUEFJ-RQXXSLPSSA-N	719.285	6.016	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)c1cc2cc(Br)ccc2o1	408844094	BBHDYEIOCDLDBP-FXMZOFOKSA-N	672.086	7.044	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1	408852744	HYUKSYJENJPTSP-FXMZOFOKSA-N	606.654	6.652	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc(Br)c1OCc1ccc(C)cc1	408863105	LAAGRPWDJFWNMV-XODNFHPESA-N	547.902	6.382	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)c1ccccc1-n1cccc1	408883764	WKXMZKSZGCCDKD-ZCTHSVRISA-N	538.401	6.376	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cc(Br)ccc1O	408885068	WSYUCZCVQFMPCD-KALUYTGESA-N	617.519	6.676	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1OCc1ccccc1Cl	408888560	XCQCUYAPJFIKCX-LDADJPATSA-N	544.776	6.078	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2ccccc2Br)c1	408888644	YGCFMYNRDIONGY-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccccc1C(=O)O	408889198	AQRGCDJMAOQTMV-XNTDXEJSSA-N	606.248	5.223	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1C	408890880	HUTIUIVQFCVKQV-OCSSWDANSA-N	517.423	6.652	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408894049	IMMOGVLPGYOFIP-VULFUBBASA-N	562.094	5.359	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccccc1Br	408894312	HUAUDCXCFHKEFV-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1cc(C)cc(C)c1	408896080	PBNUAPOYMLZDMZ-SSDVNMTOSA-N	600.884	7.393	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc2ccccc2c1	408904491	KHHARPDSSICKBE-ACXHZZMFSA-N	588.414	6.998	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)ccc1Br	408904862	PQVWCELFLLOMTA-ZRGSRPPYSA-N	535.211	6.394	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)c2ccc(C)cc2)cc1	408922012	NWTLUQXNBUAXPC-QUPMIFSKSA-N	507.656	5.059	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1F	408922583	FFYMTJWKQNKPJS-FRKPEAEDSA-N	609.235	7.327	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OS(=O)(=O)c1ccc(OC)cc1	408923385	IEUJLRCXJPASKJ-XMHGGMMESA-N	526.998	5.369	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)c(OC)c1	408958170	XLPUGTDWHPSWEH-OQMZEJBMSA-N	669.106	5.186	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1cccc(C(F)(F)F)c1	408965681	XDIJRIYLWAHGET-VPUKRXIYSA-N	529.715	6.603	50	40	KKGB	
Cc1cccc(OCCOCCOc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1	408968649	AOWVGRHLXCSGPV-JJIBRWJFSA-N	535.438	5.455	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1Cl	408971646	KSESPZPBDSDDLD-PARITGQJSA-N	518.828	5.292	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408971846	QYDJCOXJHYSEIY-ZKVPJQBOSA-N	612.598	6.939	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(I)cc1	408981426	BCPTYCPVOICRDF-ODLFYWEKSA-N	558.803	6.386	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	408985135	VRGKZSPTJNXZTE-MFOYZWKCSA-N	550.667	7.842	50	40	KKGB	
O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408996954	FPPCXMDQQVJEIH-GESPGMLMSA-N	759.549	6.662	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409006875	ROPVKEJUOPQDMD-BADBGYPBSA-N	688.534	7.303	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409010162	JVGVNVSAIYAOFJ-UUFNBZTESA-N	648.763	8.300	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21	409016756	ROQAUGWESJMFCO-GILBNXTNSA-N	623.537	5.465	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2cccc3ccccc23)c(I)c1	409023010	BAPLDIPTULTVAY-KYHGBAKBSA-N	587.417	6.101	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl	409041904	KRUGSUSKTPDDLL-CAOOACKPSA-N	595.118	7.952	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	409063593	ACOIIWVPNRGQFM-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)c(OCc2ccc(I)cc2)c1	409070914	NQIPFGDJPJLJCX-LQKURTRISA-N	561.851	6.134	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cc(Br)cc(Br)c1O	409072819	LFTJYCFVEDOSCJ-BHGWPJFGSA-N	540.664	6.486	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc(Br)ccc2Br)o1)C(=O)Nc1ccc(Cl)cc1	409117861	PDUKTDSZMZPKOH-FMIVXFBMSA-N	506.581	6.671	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccc(Cl)cc1Cl	409147030	UWMVYRQQDMYUPV-JOCHJYFZSA-N	595.220	6.109	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1	409154679	KHFLQXVUQWYLAP-IBBHUPRXSA-N	642.494	5.030	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1OCC	409220423	ZCGSYRXNSRBFMY-UHFFFAOYSA-N	641.677	5.745	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c2)ccc1OC(C)=O	409223057	GCUZVHYVRPDGQG-UHFFFAOYSA-N	743.792	7.034	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc2ccccc12	409227352	XZOUJDZCFYIZFQ-MBTHVWNTSA-N	503.898	5.393	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409227963	YDMUKGUSABJTCN-NVQRCRJSSA-N	629.025	5.900	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc(C)cc1	409235559	CFVXWLBEJCMDPG-VYYCAZPPSA-N	532.353	5.019	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br)Nc1ccc(Cl)cc1	409254258	WPHLZCRDYGZSOQ-QNVXDBMFSA-N	695.426	8.404	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2C)cc1	409261728	DBOGGUDYPJGTLS-KGENOOAVSA-N	548.437	6.028	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409318936	YTVJUKFLVSTZDK-KYHGBAKBSA-N	630.923	6.246	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)ccc1OC	409322307	IXKSWCBMNQZOFN-QDTIIGTASA-N	606.267	5.660	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)ccc1OC	409324026	QRZDOWJYCLWADZ-MUXKCCDJSA-N	503.433	5.577	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccc(Cl)cc1	409369393	MEXAMPKBYAXTRR-LGJNPRDNSA-N	513.766	5.712	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1	409371012	CLDRZBDTEUDHAE-ZRGSRPPYSA-N	659.193	5.215	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2cccc(Cl)c2Cl)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409372103	LGZQCWAFAKINJX-NUJZUDFISA-N	532.493	5.568	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409373253	PJIRZBDHOKTSDH-QRQIAZFYSA-N	529.578	5.755	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3cc4cc(Br)cc(Br)c4o3)c2)cc1C	409382301	RKJQRMZQPZOSGY-VFLNYLIXSA-N	599.279	6.356	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	409385677	JDEKUVBVCYDPNO-MOSHPQCFSA-N	516.960	5.244	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387255	VKNPKOCELMKJBA-ORBVJSQLSA-N	658.155	7.984	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1cccc(F)c1	409394249	XRCBYGQTPBERPM-OCKHKDLRSA-N	517.313	6.611	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)c1	409395482	OCCROPOECNLPHQ-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397756	NSHLVVIRZIKOAR-UHFFFAOYSA-N	706.977	7.658	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409399331	ZOWFBUOALNKCQR-UHFFFAOYSA-N	557.006	6.139	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC(=O)Nc1ccccc1	409400754	FHWQUCZLHVLICJ-KDHRXPGNSA-N	646.744	7.175	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2I)cc1	409401011	FYTFIRWNOYUPFI-KMUKQRDJSA-N	659.524	7.522	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OC(C)(C)C)c(I)c3)o2)cc1	409403058	LSNZIGFBXODNBN-LJUMEUDFSA-N	611.480	6.812	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(OC)c1	1529544822	OMJGFLHSIFRMDF-NSJAHCMFSA-N	764.642	5.917	50	40	KKGB	
C=CCOc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	1531386434	VMBQHZLUKFVNQK-LJUMEUDFSA-N	534.012	6.257	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@@H]1c1ccc(C)o1	1277968	ORGJSWQHYIUSFU-AREMUKBSSA-N	582.604	6.322	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2554219	RYMJJAPKQORYCD-WCMJOSRZSA-N	552.531	7.089	50	40	KKGB	
CCCN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c2cc(Br)ccc21	2743070	DOTUXUDUDSHZAD-KRUMMXJUSA-N	528.491	5.819	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c(Br)c(Br)c1O	3185288	PMGOZMWVXYKBJZ-LGJNPRDNSA-N	548.231	5.512	50	40	KKGB	
CCn1c2ccccc2c2cc(NP(=O)(c3cccc4ccccc34)c3cccc4ccccc34)ccc21	3194823	YUWOOFCVQQDYJI-UHFFFAOYSA-N	510.577	8.462	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c(C)n1-c1ccc(Cl)cc1	3250401	IXOYZDRTXJFUCP-FABQOPTDSA-N	533.031	6.825	50	40	KKGB	
CC(=O)Oc1c(C)c(C)c2c(c1C)[C@H](I)C[C@](C)(CC[C@@H](C)CC[C@@H](C)CCC(C)C)O2	5663147	BGDSBNWZQBGEIF-QCJPAJQVSA-N	556.569	8.823	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1F	5948547	MPDDQUIWLARXDF-OCSSWDANSA-N	536.401	6.121	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccc(OC)c3)n2-c2ccc(Cl)cc2)cc1	9762379	VLBPHRFVFAYMHI-OGLMXYFKSA-N	522.030	5.237	50	40	KKGB	
COc1cc(/C(C)=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)ccc1O	12467469	GSJHRWLXWNTNSN-MFKUBSTISA-N	510.666	5.330	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Br)cc1F	16268486	JSAIPJDUQGJLFZ-OCSSWDANSA-N	520.402	5.382	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	17056657	LVNSUMDDNWMMSI-UXHLAJHPSA-N	521.602	5.215	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	20347921	CRWNGWBAKVKTAS-MHZLTWQESA-N	526.662	6.220	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1OCc1ccc(Cl)cc1Cl	44790521	MPVQXMYQPPZMIZ-WOJGMQOQSA-N	511.361	5.898	50	40	KKGB	
C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	58916848	RZXPANNFJVPPSY-DNDVPWARSA-N	502.083	6.940	50	40	KKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](Br)[C@@H](Br)c2ccccc2)cc1/C=C\c1ccccc1	68564672	XSGGGUXVTDBRJI-RGISFYSBSA-N	532.188	7.246	50	40	KKGB	
c1ccc([P+](CCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	95704752	NEHOZOUEOAZNQN-UHFFFAOYSA-N	580.692	7.755	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccc(O)c(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	97956605	FPTNTTODMJPXDH-MUUNZHRXSA-N	541.629	5.360	50	40	KKGB	
Sc1nc(-c2ccc(Cl)cc2Cl)n2c(nc3ccccc32)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97983301	REBBFJCMXPOUBG-UHFFFAOYSA-O	607.526	7.764	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1	100104586	ZJXYPWBLHHXSCE-KEIPNQJHSA-N	568.098	6.961	50	40	KKGB	
COCc1cc(C)nc(SCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1C#N	100298000	AKLKUECNNDYIMV-ZSNJKBEMSA-N	616.703	6.683	50	40	KKGB	
O=C(N/C(=C/Sc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	100470432	SJYZHOXSPQHPAG-FSRJSHLRSA-O	516.626	7.002	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1OC	100876108	PJZXDCBTCDPVJQ-RDRPBHBLSA-N	536.057	5.546	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(F)cc1	102933217	ZPSPOJLQCQFVRS-LZYBPNLTSA-N	516.312	6.174	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1	103885539	HPGVZRJPPVSVAR-AUWJEWJLSA-N	545.602	5.281	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)c1	103889694	VMCCUPLACBBGHE-WQRHYEAKSA-N	563.222	7.031	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	103890384	OMKXEXQJAJNKAS-PXNMLYILSA-N	570.687	8.477	50	40	KKGB	
Cc1ccccc1N[P@@]1(Cl)=NP(Cl)(Cl)=N[P@](Cl)(Nc2ccccc2C)=NP(Cl)(Cl)=N1	104382666	POIAHBMXHOBOFD-WXUXXXNLSA-N	604.938	12.059	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccccc1Br)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	104699094	KRKBABGFPMTIQG-ZOLINOHKSA-N	546.534	7.049	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(OC)c2OC)N3)cc1	104709393	QYRRJXHOBJQUTB-CHAVJOKMSA-N	557.716	6.313	50	40	KKGB	
N#CS[C@@H](C(=O)c1ccc(Br)cc1)[C@H](Nc1ccccc1)c1ccc(Br)cc1	104808084	VGXKBMHGGGJAIO-IFMALSPDSA-N	516.258	6.831	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	104954119	QDGZYOYPVUNWHX-MHWRWJLKSA-N	515.227	7.849	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1	105199587	DSCAVVFKLMPPLS-AWSUPERCSA-N	549.737	6.388	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	150385209	RPBJEHFITDPLHC-NNLKUIAGSA-N	639.221	7.832	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)Cc3cccc4ccccc34)cc2OC)ccc1OCc1ccccc1	408539031	DQYHKDLMXIKABN-BIKKEBSBSA-N	653.573	7.860	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)ccc1OCc1ccccc1	408539110	SYQHUTYMJPZLSZ-AEUUOICLSA-N	598.124	7.702	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	408539373	WCCXOOMJMUEHDI-XSFVSMFZSA-N	567.446	8.152	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=N\NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccccc1	408540816	WCOMKWVUQOXWMH-GMEAVFFOSA-N	544.651	7.089	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(C)cc3)cc2Cl)ccc1OCc1ccccc1	408540870	WQIMLSNGVZHWLT-HQDYHJHZSA-N	563.481	7.622	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553046	WFNKKNMNDLEBBC-RQZCQDPDSA-N	526.420	7.069	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCC(=O)Nc1ccc(F)cc1	408553346	OCQVYAIHSFSBLJ-LDADJPATSA-N	530.581	5.209	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1Br)Nc1ccc(Cl)c(Cl)c1	408554741	UQZSRSLNVMLDLJ-OHUIHDMLSA-N	589.195	6.556	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408641687	LABUCPZBMZKQKJ-VPBXCIAMSA-N	747.780	5.630	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(N2CCCC2)cc1	408676950	NYHRQEHRVLACNJ-AMVVHIIESA-N	626.176	7.462	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Cl)cc1	408724702	GVCBXYCTJZVYMS-NINHOHATSA-N	505.840	5.967	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1	408725538	JWZTYYOISGGFRG-JAIQZWGSSA-N	536.382	6.189	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)ccc1I	408746228	CRJIYYBFEGGGBL-VWJSQJICSA-N	648.328	7.357	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408756642	SYZRXRJREHBEOE-MFOYZWKCSA-N	634.224	6.095	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2cc(C)ccc2C)cc1	408780826	LPWHSLLEYUSDQA-UZWMFBFFSA-N	555.656	5.177	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408788148	BJHVMIQBSCPGCT-LZYBPNLTSA-N	636.094	7.007	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1Cl	408790179	URLXROPKVULLKZ-BUVRLJJBSA-N	559.449	7.706	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408790617	XIFXMHVWWDSJDM-PXLXIMEGSA-N	578.406	5.827	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408790638	XKVWDQZJYAHIHM-YBFXNURJSA-N	599.381	5.731	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408791669	AMJOVGWYARJXSO-VIZOYTHASA-N	601.111	8.196	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1	408791778	CHVBBGPVIBREBV-UDWIEESQSA-N	580.391	5.667	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc2ccccc2c1	408797367	RKOACSODAIOFSY-OEAKJJBVSA-N	608.863	7.621	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1cccc(C)c1	408797374	RKYJMIKURDHPTR-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(I)cc2)cc1	408812150	CFMPBGGCBYNCTR-STZFKDTASA-N	524.358	5.102	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408824850	BETZDVCKASTKEX-GOJREDGKSA-N	610.135	7.078	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408825058	AAZUVGIYTUJGAD-LQKURTRISA-N	567.085	7.978	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(C)cc2C)cc1	408828184	JGCMZJNZCNHHHH-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1	408830836	GMDAWKLJQASDAF-PGMHBOJBSA-N	566.466	6.523	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OCc3ccccc3)cc2)cc1	408835800	YKQVOSNPRVAOFP-YZSQISJMSA-N	553.456	7.461	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408836330	QAAYKUHMRVRVKW-BKATUZMVSA-N	779.337	6.033	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(F)cc1	408838761	IBHPZYMPVPFJOH-QNVXDBMFSA-N	712.972	8.302	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccccc1F	408842855	LIDFVRFPADUAAG-HBHSWBPBSA-N	651.480	7.478	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1	408847748	UHYYWNQQLDBWBY-MWBNBJEGSA-N	673.103	7.106	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2ccccc2o1	408849408	WPFJDLWYCJXYGR-FXMZOFOKSA-N	691.090	7.292	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	408853046	KVJAQAIGOIMKAU-UCMJSZAQSA-N	516.601	6.322	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccccc1Br	408880982	LMTOQGKLSCLMKB-VCHYOVAHSA-N	637.699	7.149	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1Cc1ccccc1Cl	408884321	TTXTUMDQUGSIMC-FYJGNVAPSA-N	570.858	7.042	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2OC)cc1	408885588	CKHHREZDUFREKK-LICLKQGHSA-N	582.363	5.148	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc4ccccc34)c(OCC)c2)cc1	408891785	VIUSXGSYUFSWPJ-HKOYGPOVSA-N	534.568	6.180	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccc(I)cc1	408904069	DFHUYSCPVSMDGI-PPDIBHTLSA-N	720.143	6.710	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)cc1	408921428	AVIDXBZREMRHJX-RVDMUPIBSA-N	582.259	6.078	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br)Nc1ccc(F)cc1	408941813	KLXLCOMXAQBIDV-NVJOKUIPSA-N	589.215	5.878	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408969174	IPDCJVDJIDXTLE-FYKGKLKKSA-N	703.848	7.633	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC(C)C	408973108	YTMOUIMARGNPLO-RHJJNHNYSA-N	651.385	6.197	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1c(C)cc(C)cc1C	408977874	GBCUVVCOIRSYPH-MJUYWVACSA-N	563.698	6.601	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(C)cc1	408983915	OGQNUZUAKSSXJR-NHDPSOOVSA-N	586.857	7.085	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccccc1Cl	408984104	PRNPJJBRSBYTDZ-NVMNQCDNSA-N	546.248	7.198	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)cc1C	408996051	NTWMUMGJJQPMSH-MZJWZYIUSA-N	513.379	5.049	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409035843	QMLYOXYEEWCWEK-AABVJFSESA-N	652.401	8.966	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409039624	RQENBBPPXJLAAR-KVAAJVFYSA-N	603.531	8.212	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409049442	QWMKIZSADVRPED-DLCNMLRHSA-N	633.315	7.909	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)Cc2c(Cl)cccc2Cl)cc1	409057029	GIGOTCFLBCDLFJ-KVSWJAHQSA-N	559.302	5.950	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	409076599	AYHXBYOFTVXUTJ-SFQUDFHCSA-N	527.455	6.359	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409079935	KGYGFPUIIFWSQO-RCCKNPSSSA-N	558.547	6.367	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccccc1	409088654	GEKBUAGALAIJKB-RIYZIHGNSA-N	611.168	7.477	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)cc2c1	409187806	UNBRZPRPRBXSRY-VYYCAZPPSA-N	538.354	5.845	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1cccc(C)c1	409196088	YVWFNRZSFFSVCS-MZJWZYIUSA-N	548.808	5.995	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409237338	WAXCXNGWJBZVKC-UUMRFZBWSA-N	503.986	5.459	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409259509	ZXQJOMALVQFCJU-NVMNQCDNSA-N	558.849	6.917	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1OCC	409309264	DQDTZOWINLBCRV-MWLSYYOVSA-N	590.312	6.742	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	409312668	GFPSPSWZCZVTTI-OHUYPAJKSA-N	602.485	6.127	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1OCC	409313137	HPVZTIDFGGEUEV-MIXAMLLLSA-N	650.491	5.185	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OCC	409315041	MMGYEMANUKHIPO-ACXHZZMFSA-N	556.446	6.047	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OCC	409316818	ZYZYLTGMAYNADX-LQNQUEJISA-N	631.467	5.269	50	40	KKGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC	409321017	DFCPRTUTPILCAJ-RHANQZHGSA-N	588.442	5.830	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1OCC	409321579	GYMYSPWOSJBGSN-UHBFCERESA-N	559.432	6.127	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)ccc1OCc1ccccc1	409330463	AOPHUHRRLBMBDT-MJXLXAJKSA-N	701.799	7.234	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCc1cccc2ccccc12	409359324	BKWDBLCBXWCCAT-CAQPMQTCSA-N	592.477	6.732	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl	409372420	XLMWRAFAUKACKH-GRSHGNNSSA-N	560.775	6.895	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409383275	SWMQEYISOGUSLX-YBEGLDIGSA-N	558.791	5.813	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384309	ASLRKSLPWDADQN-KBKYJPHKSA-N	634.262	6.586	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396496	SYTZSVKAIULQFD-UHFFFAOYSA-N	694.062	7.823	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409400815	RDRKUFUUCMDCTJ-BVMLUPFRSA-N	610.461	5.353	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O	409406429	WTIYLVVFBLFRIX-IZKGUHRSSA-N	590.589	5.189	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)OC(C)C	409407016	YMZQZUVCHFTAMJ-FZPRHHONSA-N	618.643	5.667	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(Sc4ccc(Cl)cc4)o3)o2)cc1	409409627	PNQZIMTUJABXRA-ZMGVVAQMSA-N	624.944	8.190	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1	409410235	UEHUWLGCBCRCNL-XJECJHNESA-N	736.373	7.682	50	40	KKGB	
O=C(OC(=O)C(F)(F)[C@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl	885164028	DGLKNPYJZVHBEZ-DAORTFEHSA-N	941.753	10.959	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1	1529545685	ATFCIQDVKZSYIJ-HYCVJYALSA-N	638.746	5.312	50	40	KKGB	
CCCCCCCCCCCCc1cc(/C=C2\C(=O)c3ccccc3C2=C(C#N)C#N)sc1Br	1776010813	BNPVWVSFIBNIFH-ITYLOYPMSA-N	535.551	9.055	50	40	KKGB	
Cc1ccsc1[C@@H]1C(C#N)=C(n2cccc2)N(c2ccc(Br)cn2)C2=C1C(=O)CC(C)(C)C2	1432886	HXVRHOBHQUWGRA-JOCHJYFZSA-N	519.468	6.655	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cc(Cl)ccc2C)NC2=C1C(=O)CCC2	2311251	PWRWWCACFPWLCV-RUZDIDTESA-N	508.043	5.848	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	3232322	OYWSSIUAHSXVSG-LFIBNONCSA-N	549.730	6.886	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	3275922	YFNAGECDDBACSU-KVSWJAHQSA-N	545.898	5.108	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@H]2c1ccc(Br)cc1	3663483	GWHZBUUNRGWPHR-OAQYLSRUSA-N	550.806	7.062	50	40	KKGB	
Cc1cccc(NS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)-c2c(cc(S(=O)(=O)Nc4cccc(C)c4)cc2[N+](=O)[O-])C3=C(C#N)C#N)c1	3991852	LJELQMFZFSXITC-UHFFFAOYSA-N	656.658	5.551	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)c2-c2ccccc2)cc1	53277267	CXFBBOMUVDRGJT-NDZAJKAJSA-N	587.683	7.997	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2ccc(Cl)cc2C)cc1	59857415	FEGCRWXHTNNKAX-BIZUNTBRSA-N	576.074	5.522	50	40	KKGB	
CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CN(CCCl)CCCl	95676829	VFBRDXSMQKKJLN-UOSAEKHLSA-N	662.699	5.962	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(N/N=C/c2cc(Br)ccc2OC)c1	97976759	XPHDIRLQXWDUSZ-BMNRKXRESA-N	560.246	5.439	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1	100119098	DFLQMWOUVRQPMS-FQAMYZABSA-N	543.092	6.286	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)cc1C	100124752	ACULORZERGXIKD-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126453	NKNDSOHWPFPLGJ-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3O)cc2)c1	100144429	CVFJQHDXSYGYQV-BRJLIKDPSA-N	531.204	5.242	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccccc1	100228444	KUYAPRSQDQHCOF-LPYMAVHISA-N	538.385	5.492	50	40	KKGB	
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1	100991220	WLDPMPVKVZANKP-FBKQIBBUSA-N	536.245	5.201	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	101555045	SDJBKIFPMAEGJE-NDEPHWFRSA-N	544.076	6.460	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)cc2)cc1	103896354	ULYZUKKDHJZYJJ-AMVVHIIESA-N	553.990	5.163	50	40	KKGB	
COc1ccc(C[C@@H](C(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2C)c2ccccc2)cc1	104049816	JYQWGXWLPVDWOS-FCFFNXBQSA-N	512.481	5.764	50	40	KKGB	
Cc1ccc(/C=C\C(=N/NC(=O)N/N=C(\C=C/c2ccc(C)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1	104305932	YDXSFKJPBVDNEE-HXZVTUTNSA-N	624.918	8.065	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccc(Br)cc1	104953438	DWWVTDCSWMRNNN-SFQUDFHCSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl	112264892	OQMWXWJNLMOXLN-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1	209533084	VRBUJYLGOYQSRR-BHGWPJFGSA-N	531.160	5.211	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	408538484	NRYGMOHNIYREBR-PCLIKHOPSA-N	607.028	8.461	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543997	UGUGQLLORPLKKY-IMRQLAEWSA-N	523.633	6.063	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(-c3ccccc3)[nH]c3c(OC)cccc23)c(C#N)c1C	408547122	RJJLIIQKDCQWNG-CPNJWEJPSA-N	509.587	5.981	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	408568056	RYIAPGXZRPTIHG-GATIEOLUSA-N	612.072	6.225	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1	408579975	MDNTVUGZDCDPBF-RQZCQDPDSA-N	584.668	8.293	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	408583506	VFCFTHGLHNDJMV-UDWIEESQSA-N	507.384	5.856	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1cccc(Cl)c1	408598703	IVGOIFAJODFSGT-NVMNQCDNSA-N	503.621	7.508	50	40	KKGB	
COc1ccc(/C=N\NC(=O)c2cccc(-n3c(C)nc4sc5c(c4c3=O)CCCC5)c2)cc1Br	408731011	IFCHQJSUYUKPBI-MUXKCCDJSA-N	551.466	5.169	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408742352	ABYHWUMDXIXILQ-BOPFTXTBSA-N	530.191	6.475	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)NCc1ccccc1	408745810	AIOZYLYIWCRKOZ-QFEZKATASA-N	544.392	6.247	50	40	KKGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Br	408751648	BBLDSOAPAQSKLW-RWPZCVJISA-N	517.464	5.758	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408766303	UDYXQCYMBCMHME-ZHZULCJRSA-N	625.401	8.122	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	408766454	QWAXKVUJNCISRS-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC	408767419	XJCXUEZRMMAIQA-DHDCSXOGSA-N	553.194	5.563	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408767595	YVGWWKKRVXZNAM-PXLXIMEGSA-N	513.391	6.736	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408769151	OWPUDSMUIUKQJU-CHHVJCJISA-N	512.629	5.876	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408778675	WFBCTJHUCCCMJX-HMAPJEAMSA-N	615.355	6.989	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)c1C	408788907	MZJIOQKJBICGCK-UDWIEESQSA-N	542.804	6.686	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c(C)c1	408793157	DGCHLHZKWQXTJN-YDZHTSKRSA-N	684.315	7.791	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408795986	NVHZXKQYEGOJKH-WOJGMQOQSA-N	556.800	6.534	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C	408813911	FWGSNYQWAXQHON-IEDNCLQISA-N	548.481	5.437	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1	408823129	CUGDNQIURDLGTA-CNCDYAKUSA-N	633.941	6.028	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408836849	WGLLHTIZUKQYRH-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4ccc(I)cc4)cc3)cs2)cc1	408841695	GTWLBUPJUIMWNV-KVAAJVFYSA-N	723.434	8.572	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Br)cn34)o2)cc1	408845782	ZKEUHQFTKVINHQ-DMWKKASYSA-N	689.419	6.768	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408848722	SQIDJQNLCKJAQV-OPVMPGTRSA-N	534.646	6.683	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1Cc1ccccc1Br	408872542	GAQHPBKIZMAUDN-BUVRLJJBSA-N	587.901	7.827	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1c(C)ccc2ccccc12	408873264	RVEKGWGSSQVGGF-LFVJCYFKSA-N	525.446	7.598	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408874341	AGJPOPCQWSCHRQ-AMVVHIIESA-N	597.307	6.906	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1	408880590	ILUXOCDCSABWOA-LZYBPNLTSA-N	560.763	6.283	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(I)c1	408882220	QLUSOXHKCBIIEA-LFIBNONCSA-N	609.239	5.367	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1Cl	408884440	XDXJEGOUPWJRGK-RQZCQDPDSA-N	612.773	7.097	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)c1ccccc1	408886608	HMEJATSRSLNLGK-VULFUBBASA-N	501.764	5.484	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Br)C(=O)Nc1ccc(Br)cc1	408899574	QNKUVMCXDUUUMK-GZTJUZNOSA-N	591.097	7.099	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1	408910701	LISKQUFXMBSPRL-FMFFXOCNSA-N	529.036	6.012	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl	408943731	IDPFDBHJMPNUOZ-NDEPHWFRSA-N	657.576	5.466	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Cl)cc1	408952662	WKFWMDNEYVJJFJ-HKBQPEDESA-N	663.196	5.541	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1	408952684	WMQGDAAUYQMOLX-NDEPHWFRSA-N	627.550	5.457	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12)c1ccc(Br)cc1	408953155	LQMJTQMNXBKILH-LNFHBKAXSA-N	594.440	5.555	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1	408962147	QIHNXRSUKLOPMW-RPPGKUMJSA-N	528.746	6.100	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408969731	SNHHNLDPTOVQLS-VXCBBSPCSA-N	640.995	7.828	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OC(C)C	408971144	MWSWXUJIHLDXHO-XSAWAGHESA-N	586.516	5.824	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408985878	BIYXYRSRQNHPHL-XKZIYDEJSA-N	517.969	6.418	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cccc(Br)c1	408987079	AFBJYSLELWXFFE-UNOMPAQXSA-N	516.176	6.697	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccccc2O)c1	409007228	VSGVSAVKFFBTDE-YFCAMDOBSA-N	520.541	5.303	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	409030592	GKWQLNVLHNNIHW-OCSSWDANSA-N	531.037	6.382	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409035345	JQDKPMWGSICQOJ-OHUYPAJKSA-N	709.325	7.454	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409045542	PXHWDVZQTRPFDI-QLQYKETESA-N	542.038	8.051	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409065697	IWTCUBANZXWJNE-PXLXIMEGSA-N	523.010	5.068	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409069090	UWAWHYCZSLMMNQ-PXLXIMEGSA-N	517.969	6.500	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409117968	YIQUENWTTHOOTO-CCVNUDIWSA-N	538.884	5.550	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1F	409131574	JVHGNIHLXMIVBQ-AREMUKBSSA-N	598.513	5.949	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	409146470	RZWBJBPOCIBRMR-MUFRIFMGSA-N	576.944	5.741	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409191703	LBSLNLWJXDSBLT-IPPBACCNSA-N	503.813	6.727	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409217768	BJOOMIRKHJNPLN-IKXYOTRYSA-N	622.892	7.290	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc3c(c2)OCO3)c1	409223671	HNRJYFZAKKWSIP-UHFFFAOYSA-N	650.869	6.075	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)cc1	409223795	HXPMRKOKPBOASC-RQZCQDPDSA-N	603.698	6.737	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2Br)c1	409230909	GVHKNQLGYZNDDR-UCQKPKSFSA-N	568.309	6.755	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409236966	HHMNUMQAEJFCDL-XKZIYDEJSA-N	543.878	7.280	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1	409264051	KJFDUNGBUIHEMA-BOPFTXTBSA-N	570.827	5.683	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)cc1	409268173	RAVQRPAWNZUTPS-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OCC)c2)cc1OCC	409309145	CCSNXFCQZHTYBB-UHBFCERESA-N	606.432	5.969	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409312672	GGOQMSCYPPBKGR-CPDSRJINSA-N	596.356	6.730	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	409358979	IDCVADCNXKUZIV-WKIKZPBSSA-N	595.129	6.554	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1	409366087	SNUMCZSOPSADOQ-VYYCAZPPSA-N	560.242	5.255	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1C(F)(F)F	409368123	SBQIGPFTQFONOQ-FTCYSYDXSA-N	623.278	6.116	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409375783	PFVNQFYAVPOFQC-YSYOEVFLSA-N	678.573	8.180	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1	409388711	VRTCXVCJVIKFMV-BOPFTXTBSA-N	540.801	5.674	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCc1ccc(Br)cc1	409389792	AJTILIFNGZKTCB-KPGMTVGESA-N	611.334	6.905	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(OCC)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409394440	AKPQXDFIIQPZTP-UHFFFAOYSA-N	783.901	9.193	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)c1	409394464	ATWBGUSUFIBGSB-UHFFFAOYSA-N	586.417	6.728	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(C)=O	409395006	IRXSVJJVWZRUNP-UHFFFAOYSA-N	705.359	7.277	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397068	FUTRXIVBXJXEPK-UHFFFAOYSA-N	543.963	6.082	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)cc1OCC	409397147	GVELQEHZWQLUBO-UHFFFAOYSA-N	632.116	8.422	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)o2)cc1	409400222	CBSXIHVVROXYMH-QJOVZPHJSA-N	601.663	7.250	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Sc4ccc(Cl)cc4)o3)o2)cc1	409409420	OUQCZTXSYBOBEG-LJUMEUDFSA-N	546.048	7.428	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	1256581	NGNCMXHJRYFWID-DEOSSOPVSA-N	583.895	6.402	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1c(F)cccc1Cl	1783473	ZTOBWMIKKPCMLY-BLITYZOESA-N	569.058	5.113	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(=O)OCCOC)c1C	2265003	DJEFXXNANQANLA-UYRXBGFRSA-N	525.652	5.753	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3N3CCCC3)c3ccccc3n2)cc1	2629374	QELGBTGGZOZZNV-QNKGDIEWSA-N	514.633	6.068	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)C(=O)Nc1ccccc1	8722104	VJKWNJFUPLIUGJ-LQKURTRISA-N	502.368	5.270	50	40	KKGB	
N#C/C(=C\Nc1ccc2ncccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	8838130	XYGLLDGLFYBVMK-FOWTUZBSSA-N	501.365	6.204	50	40	KKGB	
CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OCC)c2)c1	8917421	QDJLLROANDTNHB-NDEPHWFRSA-N	514.578	5.710	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@H]1c1ccco1	20136786	XQIOGJYFSISKNU-VWLOTQADSA-N	513.619	5.665	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)OCc2ccccc2)=C(C)N1	20347811	REYJHSJXDLTUSJ-HHHXNRCGSA-N	513.619	5.653	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1)S(=O)(=O)c1ccccc1	29491165	NMLLDNSNTZYYGR-CHSHITCJSA-N	680.057	8.522	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4F)c3C)cc2)CC1	29492979	YDQBZQLAOOODEO-KEIPNQJHSA-N	539.655	5.328	50	40	KKGB	
N#C/C(=C/c1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)/C(C#N)=C\c3ccccc3)cc2)cc1	34869215	KLGODQMLEBFPKB-FJWSNAJBSA-N	508.581	6.369	50	40	KKGB	
CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccn3-c3ccc(Cl)c(Cl)c3)sc2c1	97964273	XGDMCAJDELPJFP-UKTHLTGXSA-N	517.419	5.343	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Br)cc1	100062803	MSCNQFNLACONCJ-WKIKZPBSSA-N	611.128	6.255	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl	100118575	GJHFTPYWLXBXAS-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)c1	100330210	XWBXTTIUVIJGGW-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(COc3ccc(F)cc3F)c2)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1	102571754	FFIQLZGBFWDJHP-ARUWXKCYSA-N	612.102	6.331	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2OC)=C(C)N1	102718172	HBXAETKALXMBGP-GDLZYMKVSA-N	573.118	6.618	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	103895160	LBTCCXCUVDXVHL-RUMWWMSVSA-N	589.739	5.732	50	40	KKGB	
N#CC1=C(N)S[C@H](c2cccc(Br)c2)[C@@](C#N)(C(N)=S)[C@H]1c1cccc(Br)c1	104804478	NSAOTWDYZLQQJG-QKLQHJQFSA-N	534.302	5.273	50	40	KKGB	
N#CC1=C(N)S[C@@H](c2cccc(Br)c2)[C@@](C#N)(C(N)=S)[C@@H]1c1cccc(Br)c1	104804482	NSAOTWDYZLQQJG-UWVAXJGDSA-N	534.302	5.273	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccncc4)(c4ccccc43)[C@H]2C1=O	112255697	RSXWTGVCOQAPDL-LKANYEMDSA-N	547.014	5.010	50	40	KKGB	
CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341232	JPVCPJBKDZXGIT-YFKPBYRVSA-N	966.142	12.437	50	40	KKGB	
CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341323	USBOLEILIAWZCF-QMMMGPOBSA-N	708.181	9.795	50	40	KKGB	
CCCCCCCCC(=O)OC[C@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCC	150382844	ZCQRAHOCIBGXEB-KGAOLOCMSA-N	652.637	8.926	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1C	150617689	SQPNUUJLIMQAHQ-MZJWZYIUSA-N	624.260	5.784	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	162483762	ZJQPPIJQUIJEPQ-KEGTUQKMSA-N	747.111	8.466	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408528628	HYLWCXQKWOHLNK-VFLNYLIXSA-N	506.322	5.609	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550261	CCCPDHVWXVXOFJ-GRSHGNNSSA-N	572.876	7.226	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1cccc(C)c1	408551080	AVMYJUUEMQYMHB-CIAFOILYSA-N	532.065	6.984	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)c1	408636819	CUBHZTFPXPQVDS-AJTFRIOCSA-N	568.497	7.341	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21	408659576	VYBYBLYVDUIJMA-HNJCYKICSA-N	568.284	6.082	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408675932	CLBWPSUQUUAFFS-OCSSWDANSA-N	512.437	6.335	50	40	KKGB	
O=C(O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408681950	JWFRKWJBDBYSRM-AHKZPQOWSA-N	597.292	7.790	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1	408724385	DWLBLTIQQMQUIN-XKZIYDEJSA-N	505.412	6.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408734513	HGBVULMUQTUXEL-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1I	408743475	GCCRJZAQQLVKPQ-DHDCSXOGSA-N	570.168	5.315	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2I)c1	408744877	HXBSILQGLSBHOJ-UNOMPAQXSA-N	528.777	6.378	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)ccc1I	408746533	FAPQNCKWKPOWMU-XODNFHPESA-N	667.241	5.128	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1cccc(C)c1	408755422	UTWGCKKRWUBHSI-JAIQZWGSSA-N	570.281	7.043	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Br)c1	408756405	RQWRVYSDIUALRU-GRSHGNNSSA-N	584.211	6.050	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408760969	BHSNZRSONKNDCZ-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(I)c(C)c2)c1C	408775508	HTVVAFLKBIEUTD-DHRITJCHSA-N	501.368	5.088	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O	408785079	FVESGNFOTIGJJE-AMVVHIIESA-N	569.989	5.117	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408787457	AJNZINFCCPKLLM-VIZOYTHASA-N	599.081	7.782	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1Cl	408789905	SNBRBIJWINIETF-NLRVBDNBSA-N	539.031	7.442	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1cccc(C)c1	408794007	HNGHIOHGGGCEKR-WGOQTCKBSA-N	583.482	7.470	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408796978	QAVOYRZJTFFQQN-WOJGMQOQSA-N	525.302	5.324	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(I)cc1	408797576	SLACBAZFRIQPNE-UDWIEESQSA-N	572.830	6.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1	408816227	YARBTORCEGXSIN-CAOOACKPSA-N	536.242	7.824	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408821083	CEHKAMCHTFTNML-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408831215	QEOSRTKUGVCNCB-CIAFOILYSA-N	632.758	9.657	50	40	KKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408833429	KDSQDUVLVNGFMV-CJLVFECKSA-N	529.423	7.836	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)N3CCCCCC3)o2)cc1	408833431	KEEWHMQJBJLBPU-LJUMEUDFSA-N	605.544	5.139	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OCc2ccc(C)c(C)c2)c1	408833633	UEXKCUOLMRRZOB-WPWMEQJKSA-N	553.058	7.669	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408839708	VLXZRQPZTISLJR-KPGMTVGESA-N	684.556	6.571	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2cccc(Cl)c2)cc1	408843198	RWOPAYWTLLFJCP-LBTISBENSA-N	619.143	5.250	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408849379	WISUAAAQKYXIRH-MYYYXRDXSA-N	536.588	5.658	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1	408859799	QMMSHDTUGGHDRB-LGJNPRDNSA-N	544.427	5.328	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c1	408860367	UBHAZVKJZOIRLI-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	408860872	GZMNIPGNMHIVPN-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408871444	ZDQCQOHBMKYXHP-SGFUPKQXSA-N	568.682	7.160	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(I)c2)c(OC)c1	408879252	CKRWNZQRDYLDNN-CIAFOILYSA-N	554.384	5.111	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408880544	IEXNKYBTFKSCHQ-FMFFXOCNSA-N	582.454	6.775	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl	408890244	QGERDQGVDUUYFX-OVCLIPMQSA-N	526.634	8.078	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408892833	DEFMADPJXIFZGQ-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OCC)c2)c(OC)c1	408954352	NLNDNWSAEZYPOV-HQWKKZGVSA-N	666.731	5.546	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c(OC)c1	408957521	UTQPMNVAXNUASS-QVTHKRDASA-N	893.300	6.510	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1Cl	408982581	IBEUQBBTPZEKFZ-IDUWFGFVSA-N	652.670	7.048	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408996272	CULGQWQPCVRFBS-HIUVJMHLSA-N	728.990	7.180	50	40	KKGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	409009202	ZNAFCQHTYHXKGZ-JWHWKPFMSA-N	571.637	6.320	50	40	KKGB	
COc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1I	409014986	QTOMMDNMRSOKQV-QPJQQBGISA-N	750.894	5.782	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1cc2cc(Br)cc(I)c2o1	409017001	USXGISWADVOBJE-KKMKTNMSSA-N	609.645	6.796	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409022201	IUBMMYQKCQYXRT-HCNMGLPWSA-N	732.143	6.859	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1ccc(Cl)cc1Cl	409023168	WUYRGVRTJPJGIU-NVJOKUIPSA-N	503.769	6.745	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccccc5)(c5ccccc54)[C@H]3C2=O)cc1	409030754	FDJWLECMDNUBAN-ZNHZFLHQSA-N	569.661	5.371	50	40	KKGB	
CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	409044034	NPKZQHGWLKLPHT-FJEPWZHXSA-N	555.487	7.422	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cc([N+](=O)[O-])ccc1O	409047671	PPNBCDIWWSDXSB-XODNFHPESA-N	693.235	6.006	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	409069977	MMMPARIIZNOFMR-LFVJCYFKSA-N	516.619	5.662	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccc(Cl)cc1Cl	409105224	HQPVGHXPMVLOPA-QHCPKHFHSA-N	623.230	6.132	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c3ccc(F)cc3)o2)c(Br)c1	409154064	MQHZIGLNWRFWIW-BXPUGBIQSA-N	514.395	5.451	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(F)cc2)cc1	409186045	VTDBZNSLZDBOLT-KCSSXMTESA-N	566.054	5.712	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCC(=O)Nc4ccccc4)cc3Br)cc2c1	409187631	SQSPDGCZJWSHIO-FDVSRXAVSA-N	566.408	5.384	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)c2)cc1	409219584	OIBBTWOSHDCXQB-UHFFFAOYSA-N	665.338	6.764	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409222946	FMTGRZUTTGEASN-UHFFFAOYSA-N	685.686	5.280	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409226673	QUVWPUADWPIUFD-LDADJPATSA-N	540.403	5.964	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(OCC)c2)ccc1OCc1ccccc1	409263019	LDZUBBGVGCCBOD-CLHYIUPASA-N	630.141	7.115	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409265489	SWCAPWRSASIBBN-AEVGBRMKSA-N	745.643	7.874	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1cccc(C)c1C	409269006	CSTDDTJVFSPRTE-KMUKQRDJSA-N	605.720	6.961	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409326518	LLSMPEOOZFBTGF-QRQIAZFYSA-N	547.029	5.068	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1OC	409326601	MGXOYLDNDQVBCW-DBFSUHOCSA-N	582.278	6.515	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409336519	TVFFQCQNNKCQPE-MNDYBZJGSA-N	651.885	5.532	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)c3ccccc3F)cc2I)cc1	409371734	LNWJSVWLZQAOGB-ZDLGFXPLSA-N	595.193	6.987	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(I)cc1	409372331	KQTQBZCPTJKMMK-MTJSOVHGSA-N	645.132	8.613	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccc(F)cc1	409374081	JXHDZWGZEJYUCE-ODLFYWEKSA-N	506.375	6.815	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)[nH]c2c1	409374389	OJACQVDVTFKELC-MFOYZWKCSA-N	651.673	7.377	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	409381534	HWUQRGINQUHUIK-QGMBQPNBSA-N	549.252	6.794	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCc1ccc(Br)cc1	409392511	PXMXFDPXKHGGER-ZDLGFXPLSA-N	630.280	6.980	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395579	PJLBNUWQDLFYOB-UHFFFAOYSA-N	766.739	8.857	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)[nH]c12	409395960	UNRMMCINNARVOF-UHFFFAOYSA-N	760.664	8.768	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccco1	409396021	VJNVGWBBAKOHOD-UHFFFAOYSA-N	676.148	8.243	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(OCC)c(OCC)c3)c(-c3ccccc3)c2c1	409396217	XDMYASBKBAGRTE-UHFFFAOYSA-N	670.560	7.777	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409396238	XFZAGXLWSAYQLT-UHFFFAOYSA-N	636.424	7.608	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(C)(C)C	409400333	OQKUWWMGBXUKLR-MNBJERMJSA-N	515.610	6.216	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccccc3)o2)cc1	409408168	JAZCVJCRJUMNJW-VDCBTQFFSA-N	604.619	6.557	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1	1529547882	QTLWSNFPXVBCQA-IBPXFIEHSA-N	835.462	5.231	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccccc1F	1529548884	OYZUTLDDJXVCDR-CKRMDNAKSA-N	685.572	5.061	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	844043	QOFSSFWRNSNIRV-GDLZYMKVSA-N	535.604	5.042	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1	1747722	KWDCEXLAZZIETB-BRJLIKDPSA-N	529.116	5.529	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1879530	AEKJDCPLFYFJNM-FMFFXOCNSA-N	555.748	6.780	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc2ccccc2c1	2096925	KBZKSJQATFQVAG-AMBXXVILSA-N	541.080	6.317	50	40	KKGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F	8451191	VSPKWUILAKQXGM-QFIPXVFZSA-N	540.567	5.268	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OCC(=O)c1ccccc1	11853088	YGRFPFPAHFNCDR-LPYMAVHISA-N	520.566	6.251	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\C=C\c3ccco3)nc3sc4c(c3c2=O)CCCC4)cc1	19861357	HPSQFPSLBDMSAY-GIIHTIGZSA-N	504.637	5.135	50	40	KKGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	49833376	DFPBBOCDGYBNBR-TZOIZJCJSA-N	550.689	5.419	50	40	KKGB	in-vitro
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1Cl	59425707	RQZHCGFPBDHWQA-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc2ccccc12	97962815	TWTXFGXPDLAAFF-MFKUBSTISA-N	580.482	6.937	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	100063395	IDTPQVVYANMIAT-VFLNYLIXSA-N	570.698	7.080	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1	100118502	DSAFXISKDQFOHK-QCFMCPCVSA-N	576.722	6.562	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	100130171	DHKCZGVGSXUXLP-GTWSWNCMSA-N	593.547	5.240	50	40	KKGB	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	102537362	ARVQVDZJCBAPMF-JXTRNDFMSA-N	581.345	5.587	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc(Br)c3)o2)c(C#N)c1C	107813567	JCZKRVQCXSETEZ-MHWRWJLKSA-N	509.381	5.846	50	40	KKGB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\Nc1ccc(SC#N)cc1[N+](=O)[O-]	408534967	RZADVELTMKBUDR-IWIPYMOSSA-N	513.623	6.354	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539936	KRMGKJXKKGDPJR-AEVGBRMKSA-N	657.483	7.797	50	40	KKGB	
COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	408636576	AMJZQMDGDNOLGG-DFBJGRDBSA-N	525.960	5.403	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408638718	DEOYTVPHRFSLDP-OAHLLOKOSA-N	637.105	7.627	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O	408653918	QCNODTGJFTTWBY-OPXVNJCFSA-N	533.839	5.262	50	40	KKGB	
CCCC[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408684697	KIDBWCYKDQHQED-GFCCVEGCSA-N	609.677	5.113	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408710928	XSCFIOVHKUXIAE-IPBVOBEMSA-N	572.670	6.769	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c(Cl)c1	408740111	IGVIUSYHFLXVPY-JRZNSJKLSA-N	648.004	9.399	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(Br)cc1	408743951	IOBZFXURWRYHRD-ODLFYWEKSA-N	556.254	6.653	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Br)cc1	408745078	PGCJKGURDARGEX-AQTBWJFISA-N	512.201	6.336	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OC	408752602	IPUQNBXRHFCIQB-WZUFQYTHSA-N	503.123	5.161	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCC	408761413	FCSHSYJCEOGGDL-ZSOIEALJSA-N	541.183	5.397	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1	408765131	ZOQZGYMDNXQRST-RGEXLXHISA-N	565.367	5.057	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)Nc1ccccc1I	408765621	ZBCDOUVEOQNCHG-WJDWOHSUSA-N	592.220	6.161	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccc(C)cc1	408773320	IANCLHIRULXAJR-GRSHGNNSSA-N	504.368	5.009	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408777726	GZCPMQQJTURXAW-ODLFYWEKSA-N	636.317	7.187	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408787410	ZUBCCZBJBJLOCT-MTJSOVHGSA-N	672.317	5.617	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)cc1	408788450	KCLLUBNETSYBLC-CIAFOILYSA-N	516.351	5.232	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1	408788772	GQDXMKTWVNEWCF-UHFFFAOYSA-N	543.730	5.984	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408790275	VKCDDDMVNSQBSJ-RQZCQDPDSA-N	591.245	7.187	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1	408790287	OQJNAOPWUUDCBF-REZTVBANSA-N	625.663	7.279	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408793631	PUHYOLUPDSKKOR-CXUHLZMHSA-N	547.192	6.789	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408797233	QWJGKJWEFPHABE-PCLIKHOPSA-N	628.479	7.460	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1	408819450	SFOXTNCQZHTYPH-VFCFBJKWSA-N	544.054	7.697	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCc2ccc(F)cc2)c1	408824681	HFILAJNPPYCQLB-LFVJCYFKSA-N	542.994	7.191	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)Cc2ccc(Cl)cc2Cl)cc1	408828200	LLWCXWBDWQZJJP-BKUYFWCQSA-N	648.490	7.850	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408829700	QAHCCTDWCBJEFN-ZXTCRCEHSA-N	783.756	6.678	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408834491	VCNLYSICCQLZHQ-OVVQPSECSA-N	637.961	9.268	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1cccc(C)c1	408838901	JWPFUGPFZPELGI-MWBNBJEGSA-N	641.591	8.285	50	40	KKGB	
Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)c1	408841820	HUEDOYJXUKHPFD-UHFFFAOYSA-N	542.842	5.953	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1cccn1-c1ccc(Br)cc1	408842659	AHCAIOZQMWTBOW-PPDIBHTLSA-N	607.100	5.842	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2cc(Br)ccc2o1	408845409	GSAGXKBDXBHILE-ZRGSRPPYSA-N	573.197	6.209	50	40	KKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1	408848987	XOGYYRPURHDICZ-MZFJOGFUSA-N	503.558	6.483	50	40	KKGB	
O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408851181	JFHHZSQFRYGJGT-QYVLQNAGSA-N	524.668	7.566	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1	408851801	GGZPWRRXLAHWKA-FZKWRIDDSA-N	525.027	7.417	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1Cl	408857237	NTQMRMUYFHPBFP-NVJOKUIPSA-N	592.671	6.963	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1OC	408862844	IFLKWTQJPUWLNJ-MUFRIFMGSA-N	606.926	5.330	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(C)(=O)=O)cc1Cl	408864431	VRHSXGFDSLGMJN-VFLNYLIXSA-N	645.359	5.268	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)c(OC)c1	408869343	BZLKYZCIXOZYQU-UFWORHAWSA-N	698.270	5.854	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408881608	LHSOILRPWBEBKY-BJMVGYQFSA-N	507.673	6.269	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OCc1ccccc1	408884389	WZDNEURBDREKPV-YBFXNURJSA-N	696.177	7.648	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Br)c(OCC)c2)cc1	408898152	VDMZDBWATIEFNP-DEDYPNTBSA-N	647.307	6.976	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(C)c1	408909408	UFFZIGKVOLFDQS-OKCVXOCRSA-N	515.437	6.371	50	40	KKGB	
CCCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408969607	QOZGBAGAQUDFSQ-ROIUGHQGSA-N	542.463	5.427	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1Cl	408983853	NTSIJERREWIMDR-JJFYIABZSA-N	610.733	8.451	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCC#N)c(Br)c1	408986070	ZHUZTMYHEXJKNR-QPEQYQDCSA-N	509.585	5.621	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccccc1-n1cccc1	408996204	LKSYAABGHIFQGM-WPWMEQJKSA-N	521.358	5.425	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c2ccccc2)cc1	408998855	OWLPFMLYWGXHDP-QXPVHXGPSA-N	612.151	6.941	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409009710	BNDHIEHXWHWXHJ-CLHYIUPASA-N	654.858	7.423	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OCc1ccccc1	409047695	PXHCDRLFTALTLE-CCVNUDIWSA-N	608.274	5.594	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1	409085018	NOWVWSQYLWTOCI-SFQUDFHCSA-N	511.412	5.738	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	409142091	QPCCBIVRIPPXFE-KVSWJAHQSA-N	512.220	7.042	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1Cl	409152546	JGODUSKBMPCUHV-IPBVOBEMSA-N	554.217	5.407	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	409203348	WPKPLKVDUUNLLG-RPPGKUMJSA-N	507.812	6.063	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409227430	YNRBXZVFTJLFKF-UHFFFAOYSA-N	734.626	7.863	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)NCCCc1ccccc1	409247050	GANZUOGKWOVVAQ-BKUYFWCQSA-N	693.279	6.039	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)cc1C	409256543	LXROUDUGWOPPQL-NVJOKUIPSA-N	549.252	6.154	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409264234	NYNSXHCLNBEMBX-VHFSBPNMSA-N	731.616	7.565	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)Nc2ccccc2SSc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1	409265966	VLWBSVOBYFMICX-UHFFFAOYSA-N	568.808	9.586	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409266824	YQPMFKWPIQNJJK-XKZIYDEJSA-N	562.464	6.336	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409304052	PJEIKJUMJGCSJC-RBUKOAKNSA-N	560.286	6.370	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	409309424	GZRQTGGELHONHV-YKQZZPSBSA-N	551.437	5.601	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(Br)c2)cc1OCC	409315786	KPJBEIKUTFLSFB-CFRMEGHHSA-N	528.241	5.562	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OC	409318895	YFAHZHCWCYAORD-NUJZUDFISA-N	530.408	5.491	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)ccc1OCc1ccccc1	409321777	JJGJJBUERTVJDB-OHUYPAJKSA-N	558.034	6.017	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)ccc1OC	409321929	VJIQQKDPFJKNLO-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3Br)NC(=O)[C@H]2C(=O)OC)cc1Cl	409322739	MYSQYAJKBPFVRG-RTWAWAEBSA-N	627.344	5.573	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1	409334790	ITAPDIKNFLYLCG-BQZGYUKESA-N	524.371	5.417	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)c1	409365085	SOQKOCWQNOTWIH-LDADJPATSA-N	508.347	5.460	50	40	KKGB	
CCOc1ccccc1/C=N\NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1	409372536	MEPGBYZOLJPJTL-MUXKCCDJSA-N	599.334	5.496	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccc(Br)cc1	409372545	DXUQDLCEOSTSTH-ODLFYWEKSA-N	567.281	7.438	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1cccc(F)c1	409374739	YCTUJVZWHATVJD-NVMNQCDNSA-N	539.348	6.267	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1	409391550	JQMYLDVBYCNTIE-DXJNIWACSA-N	529.434	6.319	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409395127	KDOIEURBZJEKNX-UHFFFAOYSA-N	634.452	8.216	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409395203	KYISHBYBRUQQCH-UHFFFAOYSA-N	755.077	9.957	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl	409396222	XDWQDSGZCRZQPZ-UHFFFAOYSA-N	842.109	9.263	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396267	IPRYKMQFFOGBQA-UHFFFAOYSA-N	609.610	6.290	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409396859	CBONMTKLAKWCQD-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397088	GAKVLGCXLBZDHV-UHFFFAOYSA-N	616.457	7.252	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397552	LDPKMNYLOOCJML-UHFFFAOYSA-N	667.343	7.905	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1	1529547128	JBHSXNCPKHDFEO-GQQDTJLESA-N	697.011	5.438	50	40	KKGB	
COc1cc(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc(C(=O)O)c1	1531386431	UZGFXHSMBUCAOC-VHFSBPNMSA-N	672.532	7.078	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2	1857795240	XSDPPDJFPHPYKM-AUCVXOPXSA-N	709.961	9.957	50	40	KKGB	
CC(/C=N/NC(=O)CNc1c(Br)cc(C)cc1Br)=C\c1ccc(C(C)C)cc1	1950281	UKMPYBLTJCJTGG-WJUHDTLTSA-N	507.270	6.261	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)cc1	3088949	JGAQSNXPUYXGAN-MUFRIFMGSA-N	503.546	5.174	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(Br)cc1OCc1ccccc1	4047782	UPOWRTLWBBJCJO-OGLMXYFKSA-N	504.384	5.591	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3c(ccc4ccccc34)N[C@H]2c2ccc(F)cc2)[C@H]1Cl	6475299	NCEGBIOURCENGN-LVLPDZFQSA-N	505.014	7.926	50	40	KKGB	
CC/C(Cc1ccccc1)=N\NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1	9313172	QQTBHLQDHIFOSP-SZXQPVLSSA-N	500.584	5.060	50	40	KKGB	
CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5Cl)cc4)CC(=O)N3C2)cc1	12251085	AORWRRMOXAWERW-VWLOTQADSA-N	516.066	6.701	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(Br)cc1	59222199	GXLVNMVMIQDHTO-OCSSWDANSA-N	553.453	5.894	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)cc1	59372784	TWGTUGKDRCAJGW-ZCTHSVRISA-N	511.647	5.407	50	40	KKGB	
Cc1oc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1Br	59646357	NOQAHUWPCVLFKM-OGLMXYFKSA-N	552.450	5.510	50	40	KKGB	
O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)c(OC(=O)c2ccc(Br)cc2)c1	98001643	SDEGTDUFHRMUJK-ODNPBWNPSA-N	702.355	7.332	50	40	KKGB	
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(O)c(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N2)c1	98048757	ROFJIVSRDLHSIZ-GDLZYMKVSA-N	586.670	5.125	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)[C@@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)c(C)c1	100097903	ZYFRSZLAGFFNDW-DXBVXKBHSA-N	606.091	6.562	50	40	KKGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	100238416	RMBWUDIOCHKDKT-WUQZZNSYSA-N	545.463	6.334	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	100319517	YSKHCDCPCQXNEO-WOJGMQOQSA-N	576.368	5.348	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	100859722	RDYFHONEYITODT-KKMKTNMSSA-N	517.829	5.532	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)cc(Br)c3O)nnc2-c2ccncc2)cc1	100859786	NCRHXYVGNQLHAH-KKMKTNMSSA-N	602.312	5.111	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)OC(N)=C(C#N)[C@H]1c1cc(OC)c(OC)c(OC)c1	100986230	UJIRVNBTLOETSA-HHHXNRCGSA-N	625.703	6.452	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	101555049	SDJBKIFPMAEGJE-MUUNZHRXSA-N	544.076	6.460	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	102807213	XTPSVVXOSGQATM-XMMPIXPASA-N	568.880	6.646	50	40	KKGB	
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)c1	102808619	ABPOZUURECNHBT-MUUNZHRXSA-N	575.090	6.064	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1	103879335	LBNZLYOMBZYHOV-JSKGAOECSA-N	596.734	9.341	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1	112254668	KIXFSFJMGJNEMG-PSORJPDMSA-N	620.503	5.353	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@]4(C)C[C@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]34C)[C@@H]1CCC2=O	118934995	YQQLSJSHFADXQE-OVMXRZHHSA-N	562.622	7.427	50	40	KKGB	
CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341344	LGQFPIAFHBWQJI-MRVPVSSYSA-N	908.209	12.336	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342075	JJGIJMDNTLSWCE-UWTATZPHSA-N	742.023	9.022	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	164723922	PUNTVTNOJGVACG-GRSHGNNSSA-N	664.237	6.027	50	40	KKGB	
CCCCCCOC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)OCCCCCC)cc2)cc1	253566579	JCRMLGINTUNUJH-UHFFFAOYSA-N	542.865	6.702	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408526998	IUJFZMXGFSVFJO-RPPGKUMJSA-N	646.650	5.657	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408548287	FTSMZOOJJMUQBG-KSEXSDGBSA-N	553.283	8.951	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408566956	BWOCUWJLWRHBEE-XAZZYMPDSA-N	612.000	7.632	50	40	KKGB	
O=C(NNc1ccccc1OCc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408605414	KCCKYBCUXSJGMB-MRXNPFEDSA-N	504.801	5.722	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1C	408637662	MOMPDEYAEWYSRE-LVXARBLLSA-N	523.988	6.011	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1	408638869	UJIRWOQETKHNOX-JIPXPUAJSA-N	552.042	6.692	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408641083	JOOYWXWFLOIRBG-FZDBZEDMSA-N	661.572	5.265	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408641161	KVRDDUHSSHQUPN-IOXAWXEKSA-N	685.196	5.543	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408642823	FHQSLTTUXGBSRP-AXAFYDDRSA-N	749.239	6.231	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408689543	YLEAJRCHGVXWKT-YZEAIEHJSA-N	635.567	5.982	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(Br)c1OCc1ccc(Cl)cc1	408724478	FBJJKKYPMCTGHN-UVHMKAGCSA-N	502.796	5.426	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408743447	FVKACCMFCLFVTK-ZDLGFXPLSA-N	623.274	7.130	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2I)c1	408744002	JCJBAYAATWKVRY-BKUYFWCQSA-N	508.359	6.033	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408745969	PQCLMYAXAIYIHA-YVLHZVERSA-N	715.123	6.792	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1cccc(C)c1	408746036	QJMXTGWSSYRYQE-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408746260	DDZSZJBNBUJEFE-KYHGBAKBSA-N	675.748	6.672	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(C)cc1	408791242	VFCDELQTVIINBH-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1cccc(C)c1	408792930	CCMQEWKDRVQOKL-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OCC)c1OCc1ccccc1C#N	408794741	JBNLRMKYUGDLRM-AJBULDERSA-N	569.661	7.389	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1C	408811555	LQFZRHMBOHXLCZ-KQWNVCNZSA-N	569.130	7.794	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1	408817329	LHFKBXJJVIKGOF-ICUTVXMZSA-N	608.536	7.957	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)c1	408820361	XEGAXRLKPQKYDM-NVJOKUIPSA-N	621.123	7.372	50	40	KKGB	
O=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408824156	HGFSRUQKBIAWMB-DLCNMLRHSA-N	647.968	5.440	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408824321	GSMMATAJRAIQTA-VFCFBJKWSA-N	559.065	8.505	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408829548	PPSPIIWJPMMKRG-RUMWWMSVSA-N	561.063	5.328	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2cccc(Cl)c2C)cc1	408831027	PFPGVONEIWNRRI-VTNSRFBWSA-N	627.992	6.472	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408833168	WAGOYNIYGOKTKX-XODNFHPESA-N	563.901	6.082	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1C	408833933	XIKCCKWXCWBWMF-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccc(C)cc1	408837610	JUGUFNDJHFVGSH-KCSSXMTESA-N	562.667	5.204	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(O)c1	408839024	LSOFMWVANUUIQI-MUFRIFMGSA-N	520.058	6.523	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408839303	QJWBFKFIIWDEFU-FABQOPTDSA-N	646.950	7.482	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408840375	BBAVSZZXSLYNJV-AMVVHIIESA-N	691.776	7.350	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408840864	CNUKBNADSXEJEP-MWBNBJEGSA-N	733.588	8.117	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1	408841285	FZSXXAWGFIGTSQ-QNVXDBMFSA-N	639.497	8.093	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Br)c2)cc1	408850098	FXCWNUHCKWKPCS-MWLSYYOVSA-N	532.394	5.443	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1Cl	408855194	DFRADXCIRCNYGQ-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408856896	LWLITMOBRYTNDI-DBFSUHOCSA-N	517.796	7.135	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	408864410	VIWDYXQQSWZKFB-STKMKYKTSA-N	549.631	5.260	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cccc(C(F)(F)F)c2)cc1	408865219	CCWJTGNDXOFKRI-KVAAJVFYSA-N	603.066	6.420	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1	408870643	WXHBCEDCLIZYNN-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)c3ccccc32)c1	408871927	ZQXGMIZVXKYRBC-IURWMYGYSA-N	580.497	6.509	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	408877049	OWYNFMKHQAAMGV-OPEKNORGSA-N	563.748	5.270	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c1OCc1ccccc1Cl	408888071	SGMDOGDXYZUDJA-QGOAFFKASA-N	544.776	6.078	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408888399	ZOBUNTJLROQXJC-LPYMAVHISA-N	542.389	6.944	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408896996	PPJALQFRIRYKLH-UDWIEESQSA-N	510.999	5.587	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1cccc(Cl)c1Cl	408921419	AUJIAPZVSZVPHD-NHFJDJAPSA-N	641.514	9.035	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1	408922966	HYFRICFQWBXCQG-PNHGISFSSA-N	654.726	7.569	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1C	408923545	JLIPNUOIDZPHIH-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408924255	MHSSRTNUGKTNPB-ZXVVBBHZSA-N	641.514	9.035	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1	408941057	JNGCGTGXALYZQF-IPHFVPNQSA-N	607.508	6.997	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(C)c1	408961449	CIGFUCMCIPGHJN-VFLNYLIXSA-N	568.333	5.970	50	40	KKGB	
O=C(NN=C1CCCCCCCCCCC1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	408973432	MVSSUFOFVNNCJX-SSEXGKCCSA-N	505.728	6.894	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1Cl	408982996	JLAAVSSLTPNPIK-YBFXNURJSA-N	560.275	7.588	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1	408984002	PFSWMZFJBCQIKY-MFOYZWKCSA-N	642.118	7.794	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)OCc1ccccc1	408999420	CTXRGVLXXXARFM-FASBHPNXSA-N	655.347	5.502	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007033	MJZSHZDWUPEECT-OJYCWLPVSA-N	596.684	6.243	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)Oc1ccccc1/C=N\NC(=O)c1ccccc1O	409007529	XNAAIETUYYXCBN-MCCPHKRKSA-N	540.959	5.648	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc(Cl)c1Cl	409019824	XQNGSIHRYBAPSF-GRORTUQVSA-N	519.256	5.749	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	409025976	CKJSYNVIOJGFTP-NHFJDJAPSA-N	528.472	5.110	50	40	KKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)c1	409039350	QMNZLEKXUSRGLK-MZFJOGFUSA-N	502.574	5.860	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409068540	UEIHXSREVNCHCD-GZTJUZNOSA-N	551.789	5.785	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	409071633	HRROYRBPIBWNGF-RIYZIHGNSA-N	542.227	6.614	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(C)cc1	409123071	DOBHSCGYYWFFCJ-XMMPIXPASA-N	507.384	5.659	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409126527	CAFUFDFEIKJMDX-ALQBTCKLSA-N	654.141	5.299	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409166709	FQYOQQUEHOVEMR-VPUKRXIYSA-N	612.239	5.010	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)c(Br)c1	409169137	PZMVILWZNKMRNZ-QCQFVGOUSA-N	586.399	5.129	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1cccc2ccccc12	409179362	RKXRYTQWYDGBTR-VZFIJBCCSA-N	597.674	6.960	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)NC1CCCC1	409191603	IXUKVVNOCQSJIT-CHHVJCJISA-N	667.112	6.747	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409193035	HJYBVPQXDQZWBV-CCVNUDIWSA-N	591.833	5.433	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409203900	YZXHOTRYPNZVCA-KVSWJAHQSA-N	536.412	5.401	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1ccccc1	409220486	AMCSWBOLUJHDBF-ILRHRSLTSA-N	684.315	7.412	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1	409221810	ASAMYVYSHQZHMP-WOJGMQOQSA-N	599.279	6.092	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccccc1	409240243	RZRPYLQGHMPSKM-IWEBCOIVSA-N	530.249	7.119	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1	409253032	YKLHQKIHCDXWBT-DEFALTHMSA-N	530.249	7.119	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)cc1Cl	409257770	SEKYGIRPBCTYQO-PPDIBHTLSA-N	535.225	5.846	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1	409261235	BESYUTFTSCRBKL-FYJGNVAPSA-N	534.012	5.927	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409263629	NFVNRYXYNLRGHI-AEUUOICLSA-N	717.589	7.257	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)c1	409270024	NUIHSQCYIUSBOT-KULFSUQXSA-N	689.035	8.368	50	40	KKGB	
CCCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OCC)c(OCC)c1	409315532	JBTFYDHJFYEKOV-CFRMEGHHSA-N	528.241	5.562	50	40	KKGB	
CCOc1c(I)cc(I)cc1/C=C(/C#N)c1cccc2ccccc12	409321703	HAZFCVXYOSDGFK-YBEGLDIGSA-N	551.165	6.512	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409322867	LVVHKXCLQKWGEG-APTWKGOFSA-N	545.035	6.669	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@@H]1c1cccc(Br)c1	409323901	QBKOITDFMJBDFB-RBUKOAKNSA-N	602.816	5.231	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccc(Cl)cc1	409373562	UVFMPBOSXMCTCK-VYYCAZPPSA-N	546.805	5.681	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409374116	KASKMQDMOWJDJV-WQRHYEAKSA-N	549.400	6.253	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386205	OVERWAONMFOYHQ-RPPGKUMJSA-N	544.814	6.568	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)c1	409394640	DCTQJAVVOVZHCW-UHFFFAOYSA-N	568.427	6.589	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)[nH]c12	409396043	VQZICGQPRYWUKZ-UHFFFAOYSA-N	726.219	8.114	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)c1	409397466	KDUUTZQOLJJDQE-UHFFFAOYSA-N	517.585	6.443	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397581	LLGCTRPRAGXHMR-UHFFFAOYSA-N	562.409	7.117	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409400674	DZHNRJKCDHPWHN-KWQVAVEISA-N	699.602	7.517	50	40	KKGB	
CC1(C)CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1	504124372	ITFBYYCNYVFPKD-WOGLWLNGSA-N	541.736	6.743	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12	1529548389	FDXCOOKZZCMJLC-FBZJHIGRSA-N	643.165	5.957	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	1529548932	QMCMYPGAXQTWDC-IRWRTZFPSA-N	661.995	6.111	50	40	KKGB	
c1ccc([C@@H]2N=C(c3ccccc3P(c3ccccc3)c3ccccc3C3=N[C@@H](c4ccccc4)[C@@H](c4ccccc4)O3)O[C@@H]2c2ccccc2)cc1	1987972964	CVPLEEOLCYXISW-LZCGGXSTSA-N	704.810	9.964	50	40	KKGB	
O=C(ON=C1c2ccccc2[C@H](Br)[C@@H](Br)c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1854873	JVHXRUYNEQGIHF-PMACEKPBSA-N	575.169	5.998	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)cc(Br)c1OCc1ccccc1	1890518	LZAKYDKETQZWQT-OKCVXOCRSA-N	592.450	5.652	50	40	KKGB	
CCOc1cc2c3c(c1)-c1c(sn(-c4ccc(Cl)cc4)c1=S)C(C)(C)N3C(=O)C2=C(C#N)C#N	2437357	IVNFUKCSFDESFZ-UHFFFAOYSA-N	505.024	6.383	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)[C@H]2CCCC=C12	2758612	GMHJSOSAUBIFCM-GBXCKJPGSA-N	519.830	6.275	50	40	KKGB	
Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C(/C=C/c1ccc(N(C)C)cc1)=N/NC(=O)c1ccccc1	8653414	PMLZTTJCGDDWEM-LJQKCBRLSA-N	526.622	6.017	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c(O)c1	9360774	BSVYGMXRIVZBSI-RDRPBHBLSA-N	520.703	5.553	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)c1ccccc1	16734332	GKRPVLKFXXYFJK-BYFYWULKSA-N	515.367	5.034	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl	59211935	VURHLZXKCFKJBP-MZJWZYIUSA-N	593.805	5.523	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100126012	OERVWQITSRBUPG-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1	100130912	MBXALNBYZHKCNQ-BRJLIKDPSA-N	535.305	6.003	50	40	KKGB	
CCCCN(CCCC)CN1C(=O)/C(=N/NC(=O)CSc2nc3ccccc3s2)c2ccccc21	100175642	MQQVJSNIGYVLCO-RMLRFSFXSA-N	509.701	5.115	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3C(F)(F)F)nc3sc4c(c3c2=O)CCCC4)cc1	100852500	CZRGELABQKCENB-AQLQTECXSA-N	556.635	5.896	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	101273239	GKUKTGHVKUNIAD-QHCPKHFHSA-N	524.986	5.045	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	101555458	FMDKCWMDTJQKMN-WJOKGBTCSA-N	580.109	7.304	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1Cl	102717941	RCTXHTSIWHUBJI-MUUNZHRXSA-N	559.091	6.364	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)cc1	102933043	FEZPPPFWXQZCGE-WJOKGBTCSA-N	549.696	7.469	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	103843695	XCVNEVQYHQIKIZ-BKUYFWCQSA-N	581.841	6.271	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)ccc1OCc1cccc(C(=O)O)c1	103869404	BSLAHNGNDRZIGO-IPBVOBEMSA-N	537.783	5.462	50	40	KKGB	
O=P(OCCCl)(OCCCl)[C@@H](Nc1cccc2ccccc12)c1ccc(N(CCCl)CCCl)cc1	104275986	VGGSDTYNFDDELH-RUZDIDTESA-N	578.304	7.938	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C)S(=O)(=O)c1ccccc1	150464055	JVGYPMQPDBEAIB-KBVAKVRCSA-N	629.964	5.864	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	162482153	IUVXICBUOFEOIS-KCSSXMTESA-N	667.538	5.599	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	216061169	VTESMCZTKFYFBG-JFLMPSFJSA-N	546.259	6.343	50	40	KKGB	
O=[P@@](OC[C@H](Cl)CCl)(OC[C@H](Br)CBr)OC[C@@H](Br)CBr	256081086	RAYIMXZLSRHMTK-JDQBZHCWSA-N	608.711	5.307	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539399	HCDXWRUCGGPWGI-CVKSISIWSA-N	615.480	7.987	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	408540063	MLKMULXGXMFXJV-LJUMEUDFSA-N	545.979	6.179	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(OCc4ccccc4)c(OC)c3)cc2)cc1	408540596	UHBFJCPNPAVXCK-VQNDASPWSA-N	522.645	6.960	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(C)cc3)cc2OC)ccc1OCc1ccccc1	408541310	ZAUKKRDSLQKPDS-UCMJSZAQSA-N	524.617	6.324	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(I)cc1	408551152	LNKZMGYZGLEAGG-XDHOZWIPSA-N	595.462	6.236	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552218	PIGVDLUFAHUVEU-MUXKCCDJSA-N	500.382	5.482	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408552922	SJBCEPYBVIVPLR-WOJGMQOQSA-N	680.326	6.959	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408553780	PNDMDDGABLPYMI-YBFXNURJSA-N	563.035	6.584	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccccc1C#N	408555055	VEQQTDROYYBJMY-SRZZPIQSSA-N	587.499	6.656	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	408579905	LGXZGCXPZWJFLW-OVCLIPMQSA-N	522.215	7.390	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	408580328	OJYKPBLUELQWMG-RQZCQDPDSA-N	501.797	7.046	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408649350	XUFSLWMIQQFEGG-NGSHPTGOSA-N	752.865	5.578	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)Cn1cnc2ccccc21	408691915	XWRZPUIAPIZPME-NDENLUEZSA-N	573.288	7.901	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	408711661	DHLGKMPDXJMJEK-NTFVMDSBSA-N	556.413	5.427	50	40	KKGB	
N#Cc1cccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(I)cc2)c1	408712064	XWDJANHWRFICMC-LGJNPRDNSA-N	515.738	5.159	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccccc1	408742995	RCZVCLDXGSBLTA-MFOYZWKCSA-N	624.191	6.160	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)ccc1I	408746244	CWCYSCQOZQQORO-LGJNPRDNSA-N	550.780	5.305	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)ccc1I	408747437	NXGWFDFHOUEFBO-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I	408754247	FPJHYQUUKVIAAO-MLPAPPSSSA-N	681.062	5.146	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2I)c1	408754932	SRSSPBYBKIWBCD-NVMNQCDNSA-N	699.124	7.091	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408771841	JMEWILDKJYMQID-ZDLGFXPLSA-N	581.379	6.619	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)c1C	408790065	MYNPBVRFAJEOAK-CIAFOILYSA-N	505.368	5.889	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccccc1Cl	408792274	AJDYVOOEUQLJTA-VIZOYTHASA-N	662.536	8.139	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccccc1Cl	408793873	QSWSKCTXRBETRT-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(C(=O)O)cc1	408796498	YLSMKZWWHURDBH-WSDLNYQXSA-N	596.421	6.130	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408797483	RSJZAJLQXYSURU-OEAKJJBVSA-N	561.863	7.779	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(I)c2)cc1	408799143	XZSHGRPTLCUIBX-XDHOZWIPSA-N	528.777	6.378	50	40	KKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408808744	NCPICLZHWPHCHA-YODDIOPGSA-N	636.271	6.450	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)CC(C)(C)c2ccccc2)cc1	408826573	HHRJZVSCYFKWMV-YQCHCMBFSA-N	569.727	6.564	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408829204	OKAMAOLQTQQTMB-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408841678	GPQZELWLNOAXCF-IRWBXMRWSA-N	716.872	9.628	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2ccccc2o1	408850024	CZUSJNVOROVRET-FXMZOFOKSA-N	644.090	7.450	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	408862648	LDVZUGVRABIXGM-JQAMDZJQSA-N	627.260	6.129	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	408866536	GERUUIWLTJEWCW-ZOWVIHBMSA-N	746.849	5.988	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(C)cc1	408873986	YFRZEOWUOFEAIX-HNSNBQBZSA-N	636.568	6.075	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccccc2F)cc1	408877184	UDDBIHGVRHNLRV-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1Br	408880290	HBXACSVEWLPJHW-WOJGMQOQSA-N	560.673	7.298	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OCc1cccc2ccccc12	408885915	GVAWHTZQIJGZCY-RGVLZGJSSA-N	639.833	7.139	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(Br)cc1	408886684	LGMSOYMHAOCDCX-MZJWZYIUSA-N	540.439	5.810	50	40	KKGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCc1c(Cl)cccc1Cl	408887318	NONSSCRRTPSEHA-KCSSXMTESA-N	535.427	5.967	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2ccc(Cl)cc2)cc1	408896265	XDCYISCVQXZGMT-MUFRIFMGSA-N	556.475	5.142	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408896789	SUNIROKEIXXHMB-OKCVXOCRSA-N	643.275	6.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OS(=O)(=O)c1ccccc1	408898526	WNKCRAPYNLWXJR-GZTJUZNOSA-N	602.419	5.078	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408906786	DSDDYGTVHVUZNC-CCWCOGDNSA-N	537.447	5.804	50	40	KKGB	
Cc1ccc(Sc2oc(/C=N/NC(=O)c3cccc(I)c3)cc2Br)cc1	408909595	HIPWQIFYMYPDOG-SSDVNMTOSA-N	541.208	5.870	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408952050	VCFHDGJDVFSPSN-MHZLTWQESA-N	672.547	5.366	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(C)cc1	408962626	INUBYSUUSCKPMZ-AMVVHIIESA-N	535.360	6.518	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	408983132	KUASDVOFGWEZJO-GRSHGNNSSA-N	604.726	7.697	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	409003848	VOSUKZMQNXYNGZ-ZOWVIHBMSA-N	506.647	5.276	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409005257	GVLXMOAZGPISPI-KCSSXMTESA-N	582.509	5.914	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409007884	RGAYTEJOCLEMFF-ODLFYWEKSA-N	661.778	7.444	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccccc2OC)cc1	409025214	NZPWJSJKIAUMAX-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F)c1cc(-c2ccccc2)nc2ccccc12	409031578	HFPTYSNZMQVITJ-KVAAJVFYSA-N	544.413	7.691	50	40	KKGB	
CCOc1c(I)cc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409032336	IQHBRUUUVXFHGH-RWPZCVJISA-N	555.803	6.322	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Br)cc1	409045948	QGRBGIQOOKYISK-ODNPBWNPSA-N	687.388	7.946	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	409141881	CBUHPCTVSPVDMK-VIEDFXLDSA-N	624.922	5.998	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	409155561	LSMDLUMPJSBKSP-VWJSQJICSA-N	666.356	6.050	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OCC)c2)cc1	409162918	JNLNENPOEPXVQX-KPGMTVGESA-N	690.922	5.323	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1	409200963	KTCLQNLVOSXBKL-MZJWZYIUSA-N	533.875	6.323	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C)c1	409213657	UGUXAVSLXWJCDG-CCVNUDIWSA-N	503.451	6.522	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccco2)cc1	409217764	BGPARPJBSXXNBW-AVUJANHKSA-N	513.937	5.568	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	409223215	FYGGPWICXCOOCP-ZBAUQBKVSA-N	640.537	6.498	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409246933	LHDODMDQXCHDPI-DBFSUHOCSA-N	601.243	6.408	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	409250776	MVOJDDFQFVXLOI-XJECJHNESA-N	630.557	7.950	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)cc1	409258584	UUJQPFUKSGRHEW-PDGQHHTCSA-N	568.811	5.452	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409262165	CZJDQYAKPXBIHQ-OJYCWLPVSA-N	602.087	6.498	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C	409265220	TUKRHXSEZUQHDQ-NVMNQCDNSA-N	628.277	6.300	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409267610	ONWFIRZCIFEVAE-WKIKZPBSSA-N	622.803	5.033	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccccc1)Nc1ccc(Cl)cc1	409270627	GLBAYCNATNRODB-ZRGSRPPYSA-N	565.649	5.646	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1OC	409311131	FKMDCZCMXVPDSH-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)ccc1OCc1ccccc1	409317238	SWHLXJVLHCFTOY-DXJNIWACSA-N	565.047	5.849	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1OC	409327392	SWGHGFOYKUPTFL-VYYCAZPPSA-N	501.352	5.338	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2)cc1	409369520	CIYJPPIORPDSKY-FABQOPTDSA-N	612.111	6.997	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(C)cc1	409373566	UVRXYIJQNXXCHZ-DICXZTSXSA-N	573.387	5.178	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395144	KJAPIHMFNBUPAL-UHFFFAOYSA-N	572.499	6.745	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409395528	OTBHRZIGWWNHGT-UHFFFAOYSA-N	522.004	7.088	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)cc1	409396060	VWCLFVFSFNZMGT-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)cc(OC)c1OC	409396594	ZFJPPIDSWARWMH-UHFFFAOYSA-N	767.427	7.386	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396631	ZTCXWCXJIMTLDG-UHFFFAOYSA-N	623.990	8.028	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409396701	AGHDZHVBBVUJEU-UHFFFAOYSA-N	527.964	6.463	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409396962	DJSSQVDMWCTTDG-UHFFFAOYSA-N	631.730	9.085	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)Nc1ccccc1	409397920	AATQYQFRVFIAME-WBIBEUCMSA-N	671.548	6.819	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409398074	QEWWAYYSYRNRDB-UHFFFAOYSA-N	555.949	6.339	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409398635	UYELRMAXQWKXIP-UHFFFAOYSA-N	567.045	6.546	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Br)cc1	409400062	BEMUZWBSKISHCR-VHFSBPNMSA-N	646.969	8.333	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5Br)cc4)c3C)o2)cc1	409405304	SRRHWCPCSFBJAC-WBFBQHAKSA-N	770.522	9.542	50	40	KKGB	
C#CCn1c(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409406909	XZBRETQOUWEKGF-MZFJOGFUSA-N	504.590	5.926	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	1529548153	ASXOXXPYEQPBAE-LEAVVYHGSA-N	664.615	6.190	50	40	KKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1cc(Br)c(O)c(Br)c1	985572	RWGZKLJPGOGMHF-CQSZACIVSA-N	557.029	5.832	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(Br)c1OCc1ccccc1	987172	UCISAYISTODUES-FQEVSTJZSA-N	535.423	5.706	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	1759796	FNXUPEHZSVVRRL-ZCTHSVRISA-N	527.694	6.181	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(Br)s1	1867993	BWJFHXXQKIGMBU-LSHDLFTRSA-N	535.539	6.050	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1	1887936	LBZSALQBEBERJV-WTALZMIHSA-N	512.418	5.638	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(O)c(OCC)c3)cc2)sc2c1CC[C@H](C)C2	6167160	CEEYRMVWQNDSRD-FZRIXYKNSA-N	593.702	5.324	50	40	KKGB	
CC(/C=C/c1ccccc1)=N\NC(=O)COc1c(Br)cc(Br)cc1Br	8427164	FRDZBURSCHXTIR-VQJPUFGKSA-N	531.042	5.558	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)OCc2ccccc2)N1	8439275	JGQAIMBEPZULNX-HHHXNRCGSA-N	530.049	6.151	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	12250808	ZCQWZMXKVSBJJG-NDEPHWFRSA-N	520.614	6.139	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c(OC)c1OC	13688047	MVLUVOQMUYDMBW-LQKURTRISA-N	523.659	5.027	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2cc(Cl)ccc2C)cc1	14166255	GPBDEDLAHBPZEF-STBIYBPSSA-N	506.027	5.456	50	40	KKGB	
O=C(NNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(CSc2nc3ccccc3[nH]2)cc1	14357533	MLGIIGDQXAPCBC-UHFFFAOYSA-N	506.587	5.554	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	20171817	SOHHNXLEJVWJJV-RUZDIDTESA-N	502.571	5.434	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	33355306	KEYCCIZEWHTWRU-HHHXNRCGSA-N	530.049	6.151	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl	58917635	KASICTKPYFVYCJ-WCMJOSRZSA-N	522.501	7.598	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1	83312248	ULGQNTLYFORNND-RGXNXFOYSA-N	520.976	7.137	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2	98001727	KFBHDFRHCUBLPK-JBQSXSRFSA-N	812.885	6.976	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1	98050530	QKZAMZQQQAUSAU-MHZLTWQESA-N	548.495	7.253	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1	100054003	BTYWQJHJOWQMNR-DHRITJCHSA-N	526.437	5.520	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccccc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21	102040757	JRTFKKBQPBWHEV-YGFVOSGVSA-N	575.517	8.518	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3cc(OC)ccc3OC)=C(C)N2)cc1	102808474	XXAWNYUXVNFCJE-HHHXNRCGSA-N	560.632	5.012	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccc(Cl)cc1	106308357	NYJMVZWKKQMSJX-DLCNMLRHSA-N	616.530	7.642	50	40	KKGB	
Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCC(=O)NNC(=O)c4ccc(Cl)cc4)n3-c3ccc(F)cc3)cc2)cc1	150385989	FTWSBIJEXANBDN-UHFFFAOYSA-N	651.145	5.389	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	162472455	FESAUSZBMCQXKQ-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164697549	IOCXSJIFTGABQC-STZFKDTASA-N	707.204	6.651	50	40	KKGB	
C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@@H]2O1	255986751	LYTCVQQGCSNFJU-NVFMTYERSA-N	895.096	5.472	50	40	KKGB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)C(CO)(c5ccccc5)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C	263610831	WNWZVDVWRVSRPD-DDLIZYLSSA-N	964.078	6.183	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Br)cc1	408532801	RCEQEQCMEHWCSF-ZDLGFXPLSA-N	625.098	7.468	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2OC)ccc1OCc1ccccc1	408537744	HCQXXQNUXBOSNS-WGOQTCKBSA-N	602.609	7.816	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408544401	STQHZGRSLLCWKH-LSCVHKIXSA-N	533.205	7.106	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OC)c1OCc1ccc(Br)cc1	408547933	AVZVHDHDBAYXCB-YUMHPJSZSA-N	510.431	7.983	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	408568765	KUPWEQHCKYMWBV-VFLNYLIXSA-N	666.413	6.497	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	408579243	FGKQYLZKLNZGSP-YBFXNURJSA-N	558.803	6.343	50	40	KKGB	
O=C(NNc1ccc(OCc2ccccc2Cl)c(Br)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408601502	BDYHACBTVQEPQO-MRXNPFEDSA-N	549.252	5.831	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl	408603367	GDAWNJLQPUIOOE-VCHYOVAHSA-N	521.404	6.577	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1	408682195	KFDFPLBITDELQK-XCZPVHLTSA-N	542.429	6.792	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	408725006	CPVFZPFKSPZIKA-RUMWWMSVSA-N	557.672	5.394	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccccc1	408725682	MQDFNQMPIPZEEO-HMAPJEAMSA-N	552.412	6.377	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408727670	VNZWUQPFGWWNLX-LUOAPIJWSA-N	681.095	6.554	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408745596	TVSSIFQSTCTTAW-UCQKPKSFSA-N	700.314	7.572	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(I)cc1	408751485	ZXXAUZZVITYWCV-KCSSXMTESA-N	626.878	5.918	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(I)c1OCc1ccccc1	408755445	UWPIQQYBGOXYEH-BKUYFWCQSA-N	566.395	6.017	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1	408773784	MCOVLNVTVOFTOY-VUTHCHCSSA-N	503.546	5.058	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	408781182	BGRZCOAOTMIIIL-FDAWAROLSA-N	582.465	5.558	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408785679	YDDOQPCNKAVYKS-NHFJDJAPSA-N	528.472	5.110	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408793477	PCTNFJDDCGFXMW-WSDLNYQXSA-N	504.970	6.178	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408795239	UWTVHVOQWUYZFP-RQZCQDPDSA-N	536.242	7.824	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1c(C)ccc2ccccc12	408804983	ICONFWFIMQISCE-LPYMAVHISA-N	622.890	7.848	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c1Cl	408820102	TZNBKKGFHDPQJQ-UKTHLTGXSA-N	549.208	6.815	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc34)cc2)cc1	408821506	IKFXTXVCWBEPBY-VFCFBJKWSA-N	569.617	7.760	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408826031	CELVWNLNGQBSPM-QNKGDIEWSA-N	574.102	6.373	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c2ccccc12	408838576	GIJUIJCMBOTCDU-OKCVXOCRSA-N	513.022	7.133	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccccc1F	408840310	ALRSVTRFPJBASB-KVAAJVFYSA-N	587.076	7.698	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1	408843579	GDJWQZSWAWEPEI-WBIBEUCMSA-N	755.369	8.144	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408848526	ZLNYPIWHFOVBPT-MTJSOVHGSA-N	534.841	6.429	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408849841	ZNVCXIFSVTUPFM-HYARGMPZSA-N	514.984	7.464	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc2ccccc12	408858193	QLOIADGPUZPCNZ-UHBFCERESA-N	576.390	6.542	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Br)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	408888671	YSDOLVZBYQWRDM-XSFVSMFZSA-N	551.362	7.746	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408889863	KBGXTNOPWROTJM-FYJGNVAPSA-N	616.477	5.929	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	408896692	ZBAJXPOFXISVDQ-MUFRIFMGSA-N	556.475	5.142	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1	408923061	FBPOVVKXCCSBQW-QXUDOOCXSA-N	622.143	5.980	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccccc1C	408924170	LUAMTGXGTNLWAQ-BIZUNTBRSA-N	515.009	5.622	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(F)cc1	408925919	UXNVXMXOJKDNOB-LUOAPIJWSA-N	573.189	6.089	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2Br)c1	408925943	VDVXMWKNCNOLBT-DJKKODMXSA-N	585.252	6.861	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)cc1	408926874	WPJBKSDSYINVSX-LGJNPRDNSA-N	526.829	5.001	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCc1ccccc1Cl	408948674	PTQCLOUMFPJRLY-NDEPHWFRSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(OCC)c1	408951998	UVCKGGWAKBFAOC-GDLZYMKVSA-N	763.054	5.807	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc(Cl)cc1	408954430	ZHTHLYVHFQRWSO-MHZLTWQESA-N	844.897	6.013	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)cc1Cl	408981376	ASSXDELFLKZEBB-IUXPMGMMSA-N	534.212	7.328	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1Cl	408983599	MSMYJGOEZFUFJF-IUXPMGMMSA-N	625.663	7.279	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	408985661	XHLOBGNYWDLECN-MTJSOVHGSA-N	566.282	8.342	50	40	KKGB	
CCCOc1c(Br)cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OCC	409006786	KZIQQQWIQPPICC-MWLSYYOVSA-N	536.426	5.255	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1	409015951	PWPRBMWGTYSAMF-XWCSCLMNSA-N	631.513	5.938	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	409045598	GNWQVIPPNYCMSB-YBFXNURJSA-N	515.418	6.232	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409067317	OWJMZZOLRVUOSH-XNTDXEJSSA-N	500.363	5.710	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1cccc2ccccc12	409141019	GTAWQFOOVPGAOQ-SANMLTNESA-N	544.449	5.920	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1	409161334	SYUHWJIWVGFORL-OKCVXOCRSA-N	557.434	5.279	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1	409217871	XVDDHSNEWIGWKN-BRJLIKDPSA-N	581.819	5.674	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC	409222710	DLCXUHPGPQSFBW-OHUYPAJKSA-N	612.595	5.164	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409224177	JLWFZWLSGQCCBZ-UHFFFAOYSA-N	758.172	8.773	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409226374	VNILWVHDMPDHJY-UHFFFAOYSA-N	597.624	5.347	50	40	KKGB	
COc1cc(OC)cc(C(=O)Nc2ccccc2SSc2ccccc2NC(=O)c2cc(OC)cc(OC)c2)c1	409256404	OJMOZCVCVSDLHG-UHFFFAOYSA-N	576.696	7.025	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409260063	KEBLXNOMWTZDNO-JAIQZWGSSA-N	538.431	6.572	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409272916	UHEBVEYHKIRRAH-AEUUOICLSA-N	717.589	7.257	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OCC	409304598	SCWJYZKRCKIOBQ-MWLSYYOVSA-N	508.958	5.345	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1OC	409310001	OZXVTEFWOGSCMA-MBTHVWNTSA-N	529.818	6.019	50	40	KKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3Cl)=C2C#N)cc1	409315171	IABIYIWDHPNUSQ-HNNXBMFYSA-N	522.877	5.535	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCc3ccc(Br)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409322188	KYHDPZBTJOHILH-OALUTQOASA-N	570.292	5.826	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1OCC	409331716	HPNVSBKSIFPPAA-NTFVMDSBSA-N	554.397	5.664	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1OC	409337586	ZJNUDDSJCRZLAK-ZRGSRPPYSA-N	543.812	5.196	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	409346184	MPTAAUWCXNLSPA-VATWTLTGSA-N	517.807	5.264	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409365655	VMVYEMPCUOMLFS-GZTJUZNOSA-N	572.818	6.203	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)ccc1OCc1ccccc1	409377529	HYCIQLCXOUMEIM-HQDYHJHZSA-N	576.024	6.238	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)cc1	409395551	OZIAOTZZHNRVJG-UHFFFAOYSA-N	672.333	7.223	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1cccc(F)c1	409401202	GUWSQMYQWLUGKC-GLJXUZQSSA-N	607.682	7.485	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC	409403365	MKMKDNPJCVFVHT-ZMGVVAQMSA-N	614.924	7.243	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(F)cc4)c(I)c3)o2)cc1	409405260	SKEUOKWBDJFFCY-RODHXAHZSA-N	789.383	7.957	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)o2)cc1	409405278	SOHJUQIHNCMIBY-RODHXAHZSA-N	711.838	8.787	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1	409405683	UNIUGCDZBCAYTG-WBIBEUCMSA-N	643.096	7.569	50	40	KKGB	
C=CCOc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409405949	VLZBEJPRKKNUHD-ZMGVVAQMSA-N	657.359	7.128	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccc(Br)cc1	1529548916	PYOWGODWXFLLML-AYSITGFNSA-N	750.897	6.329	50	40	KKGB	
CCC[C@H](CC)OC(=O)NN=Cc1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1	2356096467	REKMPAAKHLVULD-MHZLTWQESA-N	627.746	5.819	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@H]1c1ccc(C)o1	1309944	LWSHJRKHPCBBKO-NDEPHWFRSA-N	542.661	5.920	50	40	KKGB	
O=C(O[C@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2N=C1O)c1cccc(CBr)c1	1823696	DXKSTRNWCPOEOR-JOCHJYFZSA-N	562.645	6.620	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cc(C2CC2)nc2ccccc12	2319311	JLCQWRHSSLEMCN-MUFRIFMGSA-N	500.396	6.218	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	2319593	TXUSLYIBNKZXFH-BIZUNTBRSA-N	536.429	7.007	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1ccccc1Cl	3090258	ZLTSEBOHSOPKPW-KBVAKVRCSA-N	565.851	6.566	50	40	KKGB	
COc1cc(C(=O)NC(=S)NNC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)cc(OC)c1OC	3281365	LEMAPSSBAHTAJA-UHFFFAOYSA-N	592.677	5.544	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	6245075	ARCRTXUKRXLWCQ-FABQOPTDSA-N	582.648	6.075	50	40	KKGB	
CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1	16713614	SOTVBSLWGCEMDW-MWAVMZGNSA-N	525.674	7.145	50	40	KKGB	
Cc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1	19956286	DBLZLPALUIYZBD-UHFFFAOYSA-N	501.668	6.106	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	59410750	ATLHXVCYVNNNHK-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C	70692328	AFNDTSIACJAGSO-FUGQLMCZSA-N	551.768	9.808	50	40	KKGB	biogenic
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C	96476410	HQKJSCWBDSQEEX-DICXZTSXSA-N	524.108	8.069	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)c4ccc5ccccc5c4)c3C)sc3c2CCCC3)cc1	97960899	RGPUMUHLEVZCEX-OJYCWLPVSA-N	560.723	7.512	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccc(C)cc1	97964152	NHGMGBQGMBXESP-WLDYLRPESA-N	656.489	5.635	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCC(=O)N/N=C\c1c(O)ccc2ccccc12	97966463	VPSYEYCQAPJRMG-XYIXECLLSA-N	663.562	7.053	50	40	KKGB	
CC(=O)N/C(=C(\Cl)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97968520	UMLPCGBTOUVKAW-DQSJHHFOSA-O	523.445	6.928	50	40	KKGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	98001720	BDYRFVINRQKPFE-VPUKRXIYSA-N	611.649	5.103	50	40	KKGB	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3ccc(-c4cccc(Cl)c4)o3)C3=C2CC(C)(C)CC3=O)s1	98007233	RLUKKSFFPPOUPL-JOCHJYFZSA-N	552.125	6.893	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	100029467	ZCYSUKUMNVRFSC-WYGVLFQYSA-N	551.603	5.622	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1	100030557	JBVMERGBKDABBS-KBVAKVRCSA-N	532.383	6.229	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1C	100100092	JRSWCYNBUGBYFP-FABQOPTDSA-N	569.547	6.796	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1cccc2ccccc12	100335651	CDJJBVZEMSRTGW-OEAKJJBVSA-N	527.418	7.044	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(Cl)cc1Cl	100852810	KBZMJGDFPRFKFY-VULFUBBASA-N	533.531	6.923	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cccc2ccccc12	100952603	SKBJEMQUYGQPGC-HYARGMPZSA-N	543.417	6.831	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(Br)cc2)cc1	100989328	GVPLNWKMTNRREO-NLTRVXJZSA-N	532.463	6.131	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1	100991327	OWDPVISZKIIERO-WTALZMIHSA-N	528.848	6.712	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)cc1	101273263	JGLWXFLTFCJDPC-AREMUKBSSA-N	558.685	5.519	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2[N+](=O)[O-])=C(C#N)[C@@H]1c1ccccc1Cl	101273351	CUMOHLRUMXLGRK-QHCPKHFHSA-N	524.986	5.045	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)[C@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)cc1	102418530	UFMMRSSYTRVQDT-OASJLCFRSA-N	622.090	6.344	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	102783936	XFBSSMBRWPJFJI-HHHXNRCGSA-N	529.065	6.355	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	103895228	GRASRXHGBIWRIJ-XZKBKLFHSA-N	619.143	5.250	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2C)C1c1cc(Cl)ccc1O	150367517	YGZRRVZATUKGIQ-UHFFFAOYSA-N	701.010	8.637	50	40	KKGB	
CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3ccc(COc4ccc(C(C)(C)C)cc4)cc3)ccc2Cl)cc1	150451217	DMMRCAPJOQIUSG-UHFFFAOYSA-N	636.170	6.491	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OCC(=O)c1ccc(Cl)cc1	150457179	KMCCANDRNOAKCZ-JMIUGGIZSA-N	633.907	7.667	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1cccc(C(=O)O)c1	408551457	CUWGHQDMCNOLOU-VXLYETTFSA-N	639.471	5.935	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552582	RBGTVQCMNWGUBO-FXMZOFOKSA-N	632.669	6.041	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554113	ZJPXHXFOQAJKSU-WQRHYEAKSA-N	510.377	5.874	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl	408608692	IFRWQAJSXUSOIC-FJEPWZHXSA-N	514.409	5.046	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408645581	SLWSZHWWVAUOJJ-XKWBKWALSA-N	570.300	6.306	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Br)cc1	408646844	IXUUSPQTYLHDBP-KPIIRZJKSA-N	673.583	5.121	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc(Br)c1OCc1ccccc1	408736773	HPHSTIUANROFFC-PIMODXEOSA-N	621.532	5.962	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Br)cc1	408744726	GWLUSGCEEOBHPI-YVLHZVERSA-N	576.672	6.998	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1	408790392	PPQNRGPHBVJFOD-LDADJPATSA-N	508.328	5.491	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(I)c2)cc1	408791697	BBCZCVHRRWCKMD-HYARGMPZSA-N	566.395	5.901	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1	408793376	OPCRABAPPDJUDM-FYJGNVAPSA-N	522.960	6.179	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC	408795626	CMXQIMWUVZBMJQ-CXUHLZMHSA-N	524.786	5.986	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Br)cc1	408797584	SNEXLZTXJRRVHW-SRZZPIQSSA-N	554.282	7.262	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCC	408798762	WXPGDPXYZONCMZ-KGENOOAVSA-N	521.411	6.371	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1cccc(F)c1	408799527	ZMURHLNIMOAKOE-GIJQJNRQSA-N	576.793	6.607	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(C)c(C)c1	408803977	BKKFURQOYJYECL-DJKKODMXSA-N	607.275	7.348	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408815097	IGKPMEUTWOFQDD-GBMFSHGMSA-N	507.845	6.836	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1cccc(C)c1	408820967	AYGLTWZKJUNDPW-MFKUBSTISA-N	664.927	7.965	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408836773	VJEAGGVYECAISU-HYARGMPZSA-N	598.313	9.004	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(C)cc2)cc1	408838457	WMKPZSFYCGWOJD-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
O=C(NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Br)cc1	408841313	FGZDLFRHCQEULF-UHFFFAOYSA-N	507.171	5.083	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccccc2)cc1	408860636	ARPGPETVYOLSQJ-PPOKSSTKSA-N	605.116	5.727	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc(C)c2)c(OC)c1	408866555	GHEYTJSAJKMYHG-LPYMAVHISA-N	505.412	6.453	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1Cc1ccccc1Br	408866772	IVKPSLSBBNYJCT-RGVLZGJSSA-N	554.282	6.974	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1cccc2ccccc12	408878758	ASGUVBCVMIQEHF-RCCKNPSSSA-N	503.385	7.280	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OC(=O)c1ccccc1	408890627	WSNVOUSSLVOCHL-MZJWZYIUSA-N	576.241	5.602	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408891532	SBAFDVBHOCMCQX-UXHLAJHPSA-N	644.341	5.366	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1Br	408894691	KNJCBSFZZSOLLM-XDHOZWIPSA-N	526.228	6.645	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OC(=O)c1ccccc1	408898863	NFJZFYHILDAPCH-LDADJPATSA-N	570.237	6.294	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OS(=O)(=O)c1ccccc1	408898897	YFPKQZGRWPVQDW-MHWRWJLKSA-N	562.387	5.614	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(F)c1	408950420	KAKFKYMILWQTOY-NHDPSOOVSA-N	548.412	5.923	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c(OC)c1	408958632	ZNSSWYRYCADGBY-PDQWDMBESA-N	659.498	5.440	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1	408969113	HMOIDLYGQAFSJC-YPQIWLGZSA-N	609.466	6.115	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408969359	MPHUPVGCIZEHPJ-CDIYLMMPSA-N	593.305	5.410	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408971827	MAJPWONKLRUYBB-CCVNUDIWSA-N	540.432	5.369	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408972155	SZQBEFAJVOSFMR-KXVRWIHASA-N	665.412	6.712	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OCC)c1)c1ccccc1	408977009	CASHIZBTAFFDFV-XDRVCWSLSA-N	507.562	5.131	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)c1	409006566	PESVLFYUDYUDKC-CSTDEQDFSA-N	573.432	6.904	50	40	KKGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	409006589	PTNQBUQZKMNFFM-KCSSXMTESA-N	566.054	5.399	50	40	KKGB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)o1	409009510	APRGKQGOXZDOLH-KIBLKLHPSA-N	593.171	5.830	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2F)c(I)c1)c1cc2cc(Cl)ccc2o1	409014878	LWXWCANXONVKJY-PPDIBHTLSA-N	548.739	6.173	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020554	QKJYPBCOQHRCGX-ZXTCRCEHSA-N	630.789	7.352	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)C(=O)NCc1ccccc1	409043487	RBIKIAGNBAIKJF-VXLYETTFSA-N	544.218	6.153	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)cc1	409049084	WBWVSJUZGSBJBT-UDWIEESQSA-N	570.281	7.043	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)c(C)c1	409065036	KNDXTQBBCJJOIG-KEBDBYFISA-N	584.264	6.651	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c(C)c1	409074143	SDQUDODHZQTYOV-LICLKQGHSA-N	535.836	6.577	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409076000	WEYIOKFGIATMDU-OQLLNIDSSA-N	615.811	6.443	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccc(Cl)cc1	409098161	NSJUVKXDTUXORB-DEOSSOPVSA-N	541.785	5.637	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409138511	CZFDIAAELRTIAV-LJAQVGFWSA-N	586.530	6.564	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409162205	YJCOETKOWJQTQN-WCMJOSRZSA-N	615.912	5.696	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c3ccc4c(c3)OCO4)o2)c(Br)c1	409166926	GPBCCOCQJLFNEB-PXHAWYGPSA-N	540.414	5.041	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cccc(Cl)c2)cc1	409185003	PDCMWDWCNSVIDY-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1cccc(F)c1	409212808	RIOJCUCNUFSOAQ-XODNFHPESA-N	598.865	6.304	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	409218520	FOLORVCBURPCCM-VKZMPMKFSA-N	583.000	5.812	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12	409232987	UAKMKHVYZDUUMH-YQUKCCFRSA-N	511.021	7.255	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409254602	XVLLZIPZECYATG-MUXKCCDJSA-N	524.415	5.164	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)cc1	409263447	JGDNODWLKPEDIO-QDTIIGTASA-N	573.285	5.918	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OC	409301306	DVUGOZGRTYDUFZ-MWLSYYOVSA-N	672.925	5.672	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)ccc1OC	409304858	SIOGPTJHIDLVBM-WKIKZPBSSA-N	518.353	5.652	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)ccc1OCc1ccccc1	409315686	WMMGMOAJVYPECT-DLCNMLRHSA-N	672.801	8.186	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409375687	NYBPVFBMOMUYJM-CPNJWEJPSA-N	505.958	5.310	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1OC	409379876	ARAVZZWAECJBGI-OJYCWLPVSA-N	621.719	6.742	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl)Nc1ccccc1F	409382144	LGSVDHQQUOKZOE-NVJOKUIPSA-N	544.764	5.769	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387087	SZIPOSIZPSKBTC-ORBVJSQLSA-N	613.704	7.875	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)[nH]c2c1	409391787	LICPBECHWZOSLI-UUASQNMZSA-N	563.666	7.937	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)[nH]c12	409395302	MBSOPBNZHMMHSW-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)cc1	409395518	OPRFZXZXFZBUGV-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)c1	409395950	UKEJWYWKYOXQBU-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)c(-c3ccccc3)c2c1	409396077	WAMLNWCVDSXQAW-UHFFFAOYSA-N	517.585	6.525	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(C)=O	409397794	OCWMVTDDFRIVHP-UHFFFAOYSA-N	575.621	6.369	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409398247	RXIBXSIBIZLXRX-UHFFFAOYSA-N	622.892	7.795	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1O[C@@H](C)C(=O)O	409403405	MPKHGAXVPFEUIC-XVSZARDYSA-N	585.657	6.009	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(Cl)cc1Cl	409405459	UDLNUMDUYKDXGK-KOKCXWAISA-N	632.544	8.315	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1	1529549164	UBHWPLCVZUTBPX-IZQZZFRNSA-N	671.603	5.856	50	40	KKGB	
COc1cc([C@@H](N[S@](=O)C(C)(C)C)c2ccccc2)c(P(c2ccccc2)c2ccccc2)cc1OC	1857795021	HNQZUHLRUSCWHM-SDZGCHGRSA-N	531.658	5.603	50	40	KKGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)nc2ccccc2c1=O	2215323	DDQFBTJBIARBPR-BIZUNTBRSA-N	534.641	5.516	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1	2357099	UZWHGTHRHJBCAH-LSFURLLWSA-N	543.921	5.497	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	2709719	DQWKRLGZHHJYEI-FDAWAROLSA-N	585.487	6.127	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	2807136	QPHNFKVPHWLNFC-HIUVJMHLSA-N	577.635	7.213	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1ccc(I)cc1	3224199	LUPKOCDSQVNVGZ-MHWRWJLKSA-N	569.752	6.917	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)cc1OCc1ccccc1	6600323	OGRSMALECMCSCE-AMVVHIIESA-N	580.357	6.047	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	15981892	RBUMRHIMFWBFFJ-GZTJUZNOSA-N	509.509	6.405	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@H]1c1ccccc1OC	19901127	GKMXMXOFDMYGNM-AREMUKBSSA-N	503.624	5.109	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	19904924	PXQDZTSZSZXNAU-XMMPIXPASA-N	510.059	6.058	50	40	KKGB	
CCCC/C(C)=N/NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1	19926566	PIQUGFOCQICITG-ZTKZIYFRSA-N	512.075	6.340	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1	20347908	QIEYIGWDHXCYTI-MUUNZHRXSA-N	524.646	5.710	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)c(C#N)c1C	34720623	DLZOPOHVJSWAFS-XNTDXEJSSA-N	502.577	5.444	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N/N=C/c1ccc(Br)cc1	53307534	YRMTVFUTPRCBHT-DPNNOFEESA-N	570.874	7.514	50	40	KKGB	
CC/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(O)cc1	54367794	ZMWTXEVVOCIRBA-WEMUOSSPSA-N	506.031	5.624	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1	59887517	GRFFBGDBZVSDDS-UXHLAJHPSA-N	537.991	5.679	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)ccc1OCc1ccccc1	97946769	OXWQAHXUZRWYLR-IMKZUMICSA-N	585.726	6.059	50	40	KKGB	
c1ccc(P(=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)(c2ccccc2)c2ccccc2)cc1	98006106	CPJZYOHBEDUFJT-UHFFFAOYSA-N	522.637	5.661	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccccc1F)c1ccccc12	98008173	GSXREXREBCJWIG-UUWRZZSWSA-N	585.595	6.240	50	40	KKGB	
Cc1cc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)n(-c2ccccc2)n1	100833382	BDBRMWRAOIDPAF-URHBISMZSA-N	540.048	5.899	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	100921216	JYMASDKSNAEIKY-UXHLAJHPSA-N	542.389	5.685	50	40	KKGB	
C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	100956940	DBQZHMXYOBBZMQ-BXUVSBEQSA-N	541.720	7.857	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)N(c2ccccc2)[C@H](c2ccccc2Cl)NC1=O	101177766	XPIRNBWEOLSBRH-AREMUKBSSA-N	606.560	6.783	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1	101563477	MFALNDZTVILKCR-XMMPIXPASA-N	552.494	5.895	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	101905862	FETVSOKUEVYXLR-MFOYZWKCSA-N	532.221	6.889	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	102807604	XOFQSWAUCYEUFA-DEOSSOPVSA-N	522.989	5.779	50	40	KKGB	
CCCCCCCC(=O)NN(Cn1c(=S)sc2ccccc21)Cn1c(=S)sc2ccccc21	104228375	RNQYCAAOCXRXLG-UHFFFAOYSA-N	516.783	7.487	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1	105186701	RIIUOIVCVPQAFY-LICLKQGHSA-N	519.292	6.732	50	40	KKGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O	113481974	SICVFQLILXMWQU-HSZRJFAPSA-N	500.967	5.868	50	40	KKGB	
CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341256	GWXUVXCPNCBQHP-LURJTMIESA-N	780.141	10.286	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)[C@H](CCl)C(O)(O)C(=O)CCCCCCCCCCCCCCCCC	306146160	BVNVYIZWCUSXHC-BHVANESWSA-N	643.478	12.184	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(Br)cc1	408544468	WHOTUPZUOOEVNO-GRSHGNNSSA-N	543.211	6.562	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc(OCC)c1OCc1ccccc1Cl	408546379	IPLJLNNLXCEPEE-XYGWBWBKSA-N	636.166	7.488	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c(C#N)c1C	408546862	OMGUKBXDRROIPQ-YVLHZVERSA-N	552.033	6.536	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	408581195	HLJWYYRVXVDSIU-VXLYETTFSA-N	541.829	6.510	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408605023	JMENOIBINDPKLT-OAHLLOKOSA-N	518.372	5.216	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408642505	MZUQTHGBUKJTTC-FQEVSTJZSA-N	595.222	6.089	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1-c1ccc(-c2ccccc2)cc1	408726766	UJJTVVOEHCPOOJ-HNSNBQBZSA-N	525.439	7.585	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1	408726930	WANBPZRTGMWAAO-WQRHYEAKSA-N	574.802	6.086	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)NCc1ccccc1	408747819	UGHGFWWFTTUCJS-GRSHGNNSSA-N	560.673	6.667	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408763707	JOWQZBUACNURSW-IUXPMGMMSA-N	634.224	6.095	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)c1ccc(Cl)cc1	408768282	DSUXSMAJNQIMCB-XGICHPGQSA-N	565.532	5.077	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1cccc2ccccc12	408780211	VJBNPAIHFFNKON-JAIQZWGSSA-N	526.374	5.464	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	408789944	SUGAQMNWJGRGKG-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1	408793471	PCINDMVAGZWIBJ-GIJQJNRQSA-N	526.332	5.813	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794180	IELPCFGBOGLKIY-BUVRLJJBSA-N	618.325	7.915	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1	408797913	UGNPWSPNXYWOEQ-YBFXNURJSA-N	605.245	6.880	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)C(C)C)o2)cc1	408829526	OMWFHXLTNJFVAJ-UVHMKAGCSA-N	522.454	5.392	50	40	KKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1	408831102	PNYONXYWQNAVNH-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408833288	SVJUPLWEJBUXAF-HNSNBQBZSA-N	636.568	5.999	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408834704	UZIPHBCRBLTXHN-HZHRSRAPSA-N	652.770	8.569	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408840069	ATSYQHDDPQASRW-RVDKCFQWSA-N	796.778	8.040	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1	408843123	DJUMLXKOEAAPGI-OJYCWLPVSA-N	643.379	8.321	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Br)cc1	408854620	AGSLWCWVZAYXFF-DBFSUHOCSA-N	606.698	7.353	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1cc2cc(Br)ccc2o1	408855175	CZMKYILVULXNME-AQLQTECXSA-N	568.254	7.998	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)ccc1OCc1ccccc1	408856371	GGQRYPMODCOZAJ-JWHWKPFMSA-N	548.687	5.750	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2C#N)cc1	408856560	JBRYETWABWBILS-IDWIKUEFSA-N	589.493	7.430	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408862734	LSUIDPCTXCFLSM-KVAAJVFYSA-N	707.430	7.052	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)c(OC)c1	408865177	BNSWZDCBWUVFMK-SSDVNMTOSA-N	551.437	5.586	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408868565	OXLHJDKKWPDYAR-YSYOEVFLSA-N	724.983	7.363	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl	408877221	UIVWUBAPOJNCBF-VTNSRFBWSA-N	687.956	5.944	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)ccc3ccccc23)c(Br)c1	408877420	RMNUQHZUDSKOSH-LFVJCYFKSA-N	525.446	7.598	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc(C(C)(C)C)c1O	408884652	USBWXLNVDPKINM-UVHMKAGCSA-N	503.437	5.561	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408885052	WSBDLPUIIOZONM-ALQBTCKLSA-N	651.141	5.029	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)ccc1Br	408905040	SHQXJJUTBUCJSB-BCHBDCPOSA-N	614.107	7.156	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)cc1	408924257	MHVUZNGZZGUEOV-CPNJWEJPSA-N	541.423	5.388	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1	408938765	ACRHRZIRHJUGBM-MUUNZHRXSA-N	652.560	5.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12	408941635	DZRIGCRAHJIHHU-PMERELPUSA-N	616.143	5.228	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1	408945702	LDSHBCVQUUYZAC-HHHXNRCGSA-N	810.452	5.360	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1	408946339	MIRHJRYGJULEJX-RUZDIDTESA-N	587.485	5.138	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1	408946545	YVRYPVYMBCEJKE-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCCOc2ccc(Br)cc2)c(Cl)c1)NC1CCCCC1	408968669	AVPBYKVKRIVDFE-VULFUBBASA-N	529.262	6.180	50	40	KKGB	
CC(C)COc1ccc(Cl)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408972477	UJLBVSSTLKJTOL-HPBKQFJFSA-N	556.918	6.130	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1cccc2ccccc12	408982048	XKQFNHMWZZOGOH-QXNHYZTASA-N	514.629	6.259	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408983025	JSQGSUBZEAQJDB-OCKHKDLRSA-N	555.812	6.242	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408997509	GVYOIQFQCLCAKW-HIWRWHBISA-N	651.182	7.952	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409002343	TYTSJQJFWAUGAR-ORBVJSQLSA-N	621.540	7.523	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccccc1	409004130	WRDTZCFZSKJHPH-UXHLAJHPSA-N	542.389	5.685	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(C)cc2)cc1	409007538	XRLGMQAFISHPTC-DEQZTJPMSA-N	561.594	5.555	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cc2cc(Br)cc(I)c2o1	409011677	IBFLUNRQNQJVDW-VYVUJPJFSA-N	905.888	8.115	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	409014129	MFGIIPKKRDLZER-DIOQRKFQSA-N	574.461	5.489	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1	409026627	UYFNRHXYJOSCHF-VGSHQSRASA-N	548.640	5.330	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	409028735	QWZCGZLVJRZKCW-KEIPNQJHSA-N	606.144	6.226	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)cc1	409029666	ABAICRBBTPQQRJ-MZFJOGFUSA-N	501.542	5.943	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc([N+](=O)[O-])ccc1O	409040064	FLDRTWGILIEGKN-YSURURNPSA-N	594.172	5.077	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)c1nc2ccccc2[nH]1	409046355	KFSHHBTWPBERSP-CXUHLZMHSA-N	543.646	7.384	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC(=O)Nc1ccccc1	409048242	RYVCSIGTLVGKJX-GZTJUZNOSA-N	503.356	5.416	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1Cl	409051538	DXARMPZFLMBCCY-KVSWJAHQSA-N	561.661	6.388	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409057285	JOUZYWUISWDVJZ-FJEPWZHXSA-N	550.483	5.771	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	409078700	JBKWWVQXXIBUPN-KBKYJPHKSA-N	513.257	5.132	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cccc(Cl)c1	409158505	SZSIKVZAASMTJJ-VPUKRXIYSA-N	675.694	5.366	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(C(F)(F)F)c1	409175860	WABPGCBQWYFYSZ-QFDQHJFZSA-N	632.220	5.881	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2Br)c1	409237631	ARTPRFSBHIMWJI-WKIKZPBSSA-N	534.223	5.931	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409248096	BXRUMWNRMYGZHN-NUJZUDFISA-N	621.859	5.442	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409251068	ZUCYNFHAJGIDBQ-QHSFOXILSA-N	521.444	7.094	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409261496	DHOMSGIMPHQFIU-RGVLZGJSSA-N	663.434	6.889	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)cc1	409268764	ABQATMVHBUQXGX-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCc1ccc(I)cc1	409300727	ANFSFTJZXKOKQG-PXLXIMEGSA-N	517.366	7.096	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409309255	DLMXDXJOBNVVEN-BJUCDSOZSA-N	652.420	7.295	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1OCC	409313269	NRZUPAVUIBFKSU-MWLSYYOVSA-N	545.861	6.633	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCc3ccc(Cl)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409326011	FOFPZNZKOUPRFF-RTBURBONSA-N	560.286	6.370	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409326744	NMNALMKFIPGILW-FZPRHHONSA-N	565.453	6.933	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409364379	PIDDYQXFZPAAMJ-YVLHZVERSA-N	619.818	6.046	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409374694	WUMWVYIJMLYHJO-NVMNQCDNSA-N	519.355	6.194	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC	409378533	PSMOMBFCDGYGNG-XDHOZWIPSA-N	505.958	5.229	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c(OC)c1	409383834	KBGYTZFNVRSNBJ-FJEPWZHXSA-N	598.291	6.725	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409385261	IUEUQBZEYLVFIU-DBFSUHOCSA-N	503.546	5.444	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C	409387183	UNVMRKLTTADTAM-RPPGKUMJSA-N	530.444	5.268	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)cc1	409394949	HYQWCWGAIYGTMV-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)cc1	409395021	IXDAZSFNIJIBLK-UHFFFAOYSA-N	522.004	7.088	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)c1	409395054	JHDAZGDCXLDQBY-UHFFFAOYSA-N	602.488	8.042	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)cc1	409395375	MVWCTWXOHBUMBM-UHFFFAOYSA-N	678.324	7.494	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396326	LMCPCGHWDVUQPB-UHFFFAOYSA-N	632.500	7.541	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396629	ZONXQZIJTFAPBL-UHFFFAOYSA-N	640.445	8.542	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397509	KOPXKLMREJIRCT-UHFFFAOYSA-N	600.502	8.140	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409399116	XVUYPMQCDJBIAJ-UHFFFAOYSA-N	570.020	7.318	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1O[C@H](C)C(=O)OC	409407501	ZYKAYVRVVGKANW-FCXAFSJHSA-N	599.684	6.098	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc(F)cc1	1529549426	YSIZMXJKAVGXNC-AYSITGFNSA-N	828.442	5.499	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)cc1Cl	2344389	NSTROAFVLGCRHE-UEKTYDJUSA-N	542.875	7.020	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Br	8406240	OLAWYIUNLONCCQ-JOCHJYFZSA-N	579.501	5.861	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(I)cc1	8812397	FFHULZJOAZFFIB-VULFUBBASA-N	518.326	5.172	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)sc2c1CCCC2	9075570	WYNNBLWIRDSUJG-OQKWZONESA-N	517.720	7.951	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1	9259740	OUMBDXVSINBUAB-HAHDFKILSA-N	512.993	7.025	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccco1	9375335	BSGCYNNTWPNJBT-VWLOTQADSA-N	518.570	5.134	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	9434154	MZNFINDADDBJHX-XMMPIXPASA-N	504.999	5.640	50	40	KKGB	
CCCCOc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)c1	13174190	PYVVHKUDXRDDRE-RUZDIDTESA-N	521.708	6.364	50	40	KKGB	
O=C(CCCCCCCCCCC(=O)N/N=C/c1ccc2c(c1)CCC2)N/N=C\c1ccc2c(c1)CCC2	33378800	BMBXCYQILKFNFZ-HUMGCQOQSA-N	514.714	6.165	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1	34377496	MJPRPMFJWFLKIE-JAIQZWGSSA-N	511.803	5.913	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Br)c4ccccc34)o2)cc1	39383595	JEVLAGMCADGXRT-LQKURTRISA-N	505.368	5.732	50	40	KKGB	
N[P@](=O)(Oc1cccc2c(O[P@](N)(=O)N(CCCl)CCCl)cccc12)N(CCCl)CCCl	43366333	FAORJLUJBXGYIV-ACHIHNKUSA-N	566.190	5.290	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)c2C)c1	58915366	TZKYDBWJBBWSPA-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1ccccc1	58985652	QPONDDQPHWGNJV-RUMWWMSVSA-N	521.573	5.250	50	40	KKGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC	59474925	SHNPCRLDIFVEIG-WQRHYEAKSA-N	504.368	5.641	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	59884746	NHOJWZKVDOZWIB-FDAWAROLSA-N	593.061	5.557	50	40	KKGB	
Cc1cc(C)n([C@@H](CCl)CN(Cc2ncc(-c3ccccc3)o2)Cc2ncc(-c3ccccc3)o2)n1	69877804	YVPROUSVMYZKSA-DEOSSOPVSA-N	502.018	6.292	50	40	KKGB	
CCCCCCCCc1ccc(-c2ccc(C(=O)NNC(=O)C3CCC(c4ccccc4)CC3)cc2)cc1	97997024	PHBSDCNBMOIAON-UHFFFAOYSA-N	510.722	7.992	50	40	KKGB	
O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1	98001714	PEYLUBKQKVHONT-VPUKRXIYSA-N	717.006	5.836	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cc(C)cc(C)c2)N1	98048717	MBOWCHNODXULKO-LJAQVGFWSA-N	558.103	6.768	50	40	KKGB	
Cc1ccc(CN2c3ccccc3C3=C([C@@H](c4ccc(C(F)(F)F)cc4)C(C#N)=C(N)O3)S2(=O)=O)cc1	100032538	VNOIKEBYDKFBBZ-QHCPKHFHSA-N	523.536	5.540	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1)c1cncc(Br)c1	100047183	HKOXHTPPXZJXHK-JQAMDZJQSA-N	600.036	5.491	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	100055652	WVLUPEKWUJWFIL-ZCTHSVRISA-N	592.515	5.369	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C2C3CC4CC(C3)CC2C4)cc1	100118301	FLIHJNLCAXAONU-FNTLCPBMSA-N	557.738	7.020	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	100134744	CKVSRBNQAMQTHG-MUFRIFMGSA-N	536.426	5.725	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	100225381	DYNHLQRPSPFUPF-NUJZUDFISA-N	533.459	5.586	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C(C)C)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	100852530	LTRRNWDYPJTRRA-UHBFCERESA-N	530.719	6.000	50	40	KKGB	
CCCCCCNC(=O)N(CCCCCC)C(=O)Cc1ccc(NC(=O)C[C@H](Cl)CSCCCl)cc1	100931234	NBTAHRAKWJRUIH-QHCPKHFHSA-N	560.632	6.836	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1	100989502	DMEKGWYSAUWVOJ-JSIHEXFSSA-N	556.844	6.307	50	40	KKGB	
CCc1sc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2cc(Br)c(CC)s2)cc1Br	101656586	SAUCWLIDQDYZHY-CIOBDNPFSA-N	618.461	6.791	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1Cl	103884193	LPRZDJBTCVPFFV-KQWNVCNZSA-N	580.910	6.336	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl	103889045	OUCRHECLYAZAPJ-HKOYGPOVSA-N	579.443	8.572	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	103900617	BPDZBXYLSWVGSF-HNSNBQBZSA-N	608.116	5.590	50	40	KKGB	
O=c1cccc2n1C[C@@H]1C[C@@H]2CN(c2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1	104150282	GFJVJSHWBFFEOY-PQHLKRTFSA-N	594.675	5.746	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2	105422301	GWGLKIMVENKBFS-STBIYBPSSA-N	548.462	5.047	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl	105437579	XTYYBGCIQYEULX-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=C\c2cc(/C=C\c3ccc(N(CCCl)CCCl)cc3)nc(/C=C/c3ccc(N(CCCl)CCCl)cc3)n2)cc1	150368042	ZWBYOFJBKIWIFV-OSSKTTKDSA-N	806.537	10.840	50	40	KKGB	
O=C(CC(=O)c1cccc(NC(=O)C[C@@H](/C=C\C=C\CCCCCCCCCCCCCCCC[C@@H]2CC(=O)OC2=O)C(=O)O)c1)Nc1ccccc1	150628751	PHQNIGWHORASIQ-RJRRQWHWSA-N	728.927	9.371	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(C#N)c1C	150643942	FMASTAMLKVHBJE-CNHKJKLMSA-N	695.362	7.323	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164730176	GMCZHQZRICFOSN-SXGWCWSVSA-N	675.091	7.327	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795389	RUIFQUMIENOVBC-STQMWFEESA-N	872.195	11.821	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554011	YBXGYZZPMIRTNQ-NVMNQCDNSA-N	650.300	6.787	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C(=O)O)cc1	408581501	XKLPZDWVUDOJTR-GIJQJNRQSA-N	547.232	7.496	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCC(=O)Nc1ccccc1	408584054	ZTFXBZHVFKEFIS-UDWIEESQSA-N	537.410	5.947	50	40	KKGB	
N#C/C(=C\c1cc(I)c(O)c(I)c1)Sc1nc2ccccc2[nH]1	408599441	UZEPQYMCVFBIQO-BJMVGYQFSA-N	545.143	5.134	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1OCc1ccc(Cl)c(Cl)c1	408606059	LGOAJWIGRGPEGK-LJQANCHMSA-N	528.436	5.694	50	40	KKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)c1C	408606698	AGSFKXFYZPCTFE-KVSWJAHQSA-N	504.801	5.931	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408641294	JVPSGCAGFXNTCV-NVPYSNMXSA-N	816.124	7.137	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408642771	NVDQBUDEYWGOKY-PSJANZKSSA-N	631.148	5.544	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@H](Br)c2ccccc2)cc1)c1ccccc1	408687046	TZFAABYESHOHJR-XNMGPUDCSA-N	528.402	6.483	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccccc1	408740311	BAGNHKZKGVKHKB-PXNMLYILSA-N	628.091	7.485	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)c2C)ccc1I	408742390	AFVFCMNJWDZTEL-LDADJPATSA-N	560.233	6.315	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)c1	408746631	ULYWZYDCLYFUSD-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1cccc2ccccc12	408749010	JVFHHNBTEVJQLD-OKCVXOCRSA-N	582.292	7.106	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408760081	RFIZPNSNTNRMRS-RGVLZGJSSA-N	596.706	8.143	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408767022	YKZRZUYAQHIUSV-AUWJEWJLSA-N	627.256	5.986	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1C#N	408789052	NSYZBVHOTYUSBL-SSDVNMTOSA-N	563.395	5.913	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408795715	MKJWLCKHJDHLCR-PCLIKHOPSA-N	584.028	7.351	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c1	408797388	RGDYOZPSRYGNIB-VXLYETTFSA-N	558.245	7.092	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1cccc(C)c1	408820912	AJQPODLWPMVKGZ-YZSQISJMSA-N	539.031	7.361	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc(Br)c1OCc1ccccc1Cl	408830499	MYSVKXQXHPIHGE-KVSWJAHQSA-N	612.771	6.836	50	40	KKGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408831695	UZURCRQJDPPQQR-OCSSWDANSA-N	534.454	5.396	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408834076	UHZADECAIUCXOO-OEAKJJBVSA-N	593.894	8.359	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408845049	XSIXRPHJQZBIBK-JRZNSJKLSA-N	760.891	5.659	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1	408845107	FKACFWRDTKYXTM-OJYCWLPVSA-N	554.477	8.102	50	40	KKGB	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)ccc1Br	408850068	FEHRPUDSVZSZAA-FYJGNVAPSA-N	554.282	7.262	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc(C)c1OCc1ccc(Cl)cc1	408851772	NVWPPFKZJAUSSL-LUOAPIJWSA-N	566.677	6.530	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC	408851791	OBOWSOGSWYCYBH-DXJNIWACSA-N	502.014	6.667	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc(C)cc1	408856521	HMQMHPXAGMPCSL-KBVAKVRCSA-N	570.498	6.470	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408861884	BNTHKKURLYTDBM-STKMKYKTSA-N	549.652	5.764	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccc(Br)cc2)cc1	408865335	AJYDBZDYSSJQQP-LQKURTRISA-N	597.447	5.271	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1Cc1ccccc1Br	408878233	YOZAYOWKTWNIEN-WOJGMQOQSA-N	556.254	6.452	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccccc1	408889969	LXSZNFAVJFTXLJ-FRKPEAEDSA-N	624.218	6.639	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2I)cc1	408900902	YVWGKHYVYONXFP-KKMKTNMSSA-N	660.677	5.966	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C(=O)OCC)cc2)c(Br)c1	408954111	YMMBNERKDQVWRF-PMERELPUSA-N	709.619	5.090	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCc1cccc2ccccc12	408956520	QSYJRUJSQKGKFE-SLQPDWKTSA-N	662.743	5.876	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1Cl	408971647	KSESPZPBDSDDLD-YXVQLENNSA-N	518.828	5.292	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCCOc1cc(C)cc(CC)c1	408973828	VMMPXFBYUMGOPS-RDRPBHBLSA-N	525.443	5.940	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1Cl	408981393	AVDBBAYYFUCXSB-IUXPMGMMSA-N	597.667	7.685	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	408985277	WFVWSYDSWPNRDT-CXUHLZMHSA-N	521.795	5.297	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409004992	BVYBZKWWUUGNQG-CPDSRJINSA-N	633.337	6.017	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409010502	FFJQFHNMPWIQTH-BIZUNTBRSA-N	523.589	5.217	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cc2cc(Br)cc(I)c2o1	409019001	ZZDPVNFBQVFPLB-YCPBAFNGSA-N	613.589	6.175	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409072441	SAIRQEKHEQRGFA-LFIBNONCSA-N	605.841	6.051	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(C)cc1	409103315	GMFBOVRJZDYFKU-VWLOTQADSA-N	535.394	5.682	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1cccc2ccccc12	409104415	ZLTLSHSKHDJMQU-MUUNZHRXSA-N	618.427	6.369	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1	409109965	OROFCKARAWXSIU-QXUDOOCXSA-N	606.144	6.356	50	40	KKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	409131030	MRWRPMQZTNNXDY-KVSWJAHQSA-N	520.413	5.534	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(I)cc3)c(Cl)c2)C2=C1CCCC2=O	409138103	ZZDQAYODUADHOI-JOCHJYFZSA-N	545.808	5.254	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)cc1Cl	409148202	YLTILXWNGIGEBI-JOCHJYFZSA-N	611.263	6.390	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(O[C@H](C)CC)cc3Br)cc2c1	409186708	GUGAEBMSKUMXJE-ZASWBZMTSA-N	503.393	5.934	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccccc2Cl)cc1	409222380	CAGXLOPCRZLIOH-FDVSRXAVSA-N	512.393	5.961	50	40	KKGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	409223100	GJPRTFHABWNQAA-OHUYPAJKSA-N	612.595	5.164	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OCC	409224492	LXXLHAATTLPNFX-QJOVZPHJSA-N	686.674	5.653	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)C(=O)NCCCc1ccccc1	409235793	QQXGQQHUHNLWLM-QJOMJCCJSA-N	522.386	5.526	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NCCCc1ccccc1	409244563	FNTJBSMVGMQHDS-JAIQZWGSSA-N	623.172	7.753	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1	409247713	AVBVPHJAFDVAHP-MWBNBJEGSA-N	610.139	7.605	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	409263582	HYFVWOMFRVXAAO-NVMNQCDNSA-N	628.277	6.300	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(Br)c2)cc1	409265385	HZGGMTIJVYPMMF-YVLHZVERSA-N	603.698	6.737	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)cc1C	409268424	SYTOZRTVHIDGJD-NVMNQCDNSA-N	539.375	6.082	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)c1	409269616	KSXIQEDCDXIHDC-VCHYOVAHSA-N	571.225	6.510	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)c1	409272314	PNJNWKBGMJYYNW-RQZCQDPDSA-N	637.250	7.102	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1OCC	409309217	CZYZTOAHZUGKHP-NUJZUDFISA-N	521.828	6.787	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2F)cc1OCC	409314508	RQFNNDRCLZJBEH-MWLSYYOVSA-N	527.390	5.895	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409372758	JJPWCAGJISNPJU-BCHBDCPOSA-N	616.093	6.698	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(Br)c3)[nH]c2c1	409374609	UWSRWDRFMPVEQL-MFOYZWKCSA-N	557.673	7.693	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cccc(F)c1	409392439	MPHFVPNGVFFFTM-IUXPMGMMSA-N	566.062	7.756	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409392526	QAUFHABCDIQWQK-MZFJOGFUSA-N	588.458	6.617	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc5ccccc5c4)c(Cl)c3)[nH]c2c1	409393283	WVDMEWXLSNIFMC-NHDPSOOVSA-N	500.385	7.675	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409395186	KTYUIWYJLPAIEK-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccccc1Cl	409397252	HXTHSQSAOVYCDN-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(N(C)C)cc4c3-c3ccccc3Cl)cc2OC)cc1	409397774	NXSRXHVLBCJQGE-UHFFFAOYSA-N	597.071	6.555	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)Nc1ccccc1F	409403021	LSBSISJNWWDWCR-GZOMZLSJSA-N	703.565	7.348	50	40	KKGB	
CC[C@@H](C)Oc1c(Br)cc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409408818	LTHFFSJNZDHEPM-XVIDZLOXSA-N	598.925	7.623	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1	1529548092	XMAIMZVTFLPHLY-GVYDMDKTSA-N	632.482	5.047	50	40	KKGB	
C=CCc1cc(C(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)OC4=O)c(CC=C)c2)ccc1Oc1ccc2c(c1)C(=O)OC2=O	2362803130	HTPAUEOEYUODHD-UHFFFAOYSA-N	600.623	7.675	50	40	KKGB	
CCCc1n[nH]c2c1[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2	2340604	FGJRUUJOYPWSIT-HXUWFJFHSA-N	529.822	5.584	50	40	KKGB	
Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc31)C(C#N)=C(N)O2	2402167	IOZKAGHZVUDPAW-MUUNZHRXSA-N	528.399	5.407	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(Br)cc1	3232263	YEAOBIVVSQWDOT-GIJQJNRQSA-N	546.248	7.279	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCCOc1cccc(C)c1	4207646	AOQVPELUZOKVJH-WPWMEQJKSA-N	512.404	5.770	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)cc2)sc2c1CC[C@H](C)C2	6167150	RPYYLORNWIGCKF-WVYOGBHPSA-N	589.758	6.517	50	40	KKGB	
CC1(C)C[C@@H](n2c(NNC(=O)Cc3ccccc3)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1	6232545	ODNMURSHCXGXGH-DEOSSOPVSA-N	526.681	5.484	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3ccc(Br)cc3[C@@H]2[C@@H]1Cl	6445705	GRCLJBJEWJBFNF-FPVDIDMMSA-N	533.850	7.535	50	40	KKGB	
Cc1[nH]c(C(=O)N/N=C/c2cc(Br)c(Br)o2)c(C)c1C(=O)N/N=C/c1cc(Br)c(Br)o1	8427433	BPXPPDCMVHFULO-QVKIOAGYSA-N	682.949	5.395	50	40	KKGB	
CC(=C/c1ccco1)/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3	16712436	ZKCZIOMSQLRLSJ-UPKRDJBOSA-N	504.637	5.217	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCc1ccc(Cl)cc1	58871542	RSHQAJYKIAGIOW-LGJNPRDNSA-N	503.780	5.550	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC	72209394	OYSKUZDIHNKWLV-ILWWPVNMSA-N	663.406	6.422	50	40	KKGB	in-man
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)\C(O)=N\c2cc(C(F)(F)F)ccc2Cl)cc1	97980638	KYOWWTKMBRRGFK-AQTBWJFISA-N	522.914	7.415	50	40	KKGB	
Cc1cccc(NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2I)c1	98001737	YIPLWWAOEWYJJA-KVSWJAHQSA-N	671.127	5.906	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl	100117774	PYJMCIOGYSLZKV-WCMJOSRZSA-N	535.431	6.069	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1	102077259	ULIDCJJXUGCFDY-UTDQILSNSA-N	562.400	7.077	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	102809894	IHFNDJJLBPNJGS-LJAQVGFWSA-N	540.664	6.458	50	40	KKGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)cc2)c1	103042187	LMIWQMVRJMTVNV-UHFFFAOYSA-N	571.699	5.597	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(I)cc1	103888605	HOBUNYBGBXTWKE-JLPGSUDCSA-N	578.450	6.852	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	103889573	XKEZABQDQITJKA-GHXNOFRVSA-N	576.015	5.918	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	103896746	TXYKGEDQTPXARX-BIZUNTBRSA-N	573.671	5.394	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)N=C2CCCC(O)=C2[C@@H]1c1ccccc1Cl	104117321	IVMGMHGWDTYHQH-JOCHJYFZSA-N	528.859	6.744	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1	104766403	XNCHZYDRRFBBOR-LQKURTRISA-N	532.350	5.278	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1F	104899240	XLCMJXJXYYLFCO-MUFRIFMGSA-N	522.374	5.730	50	40	KKGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)CC1	150466486	ZMEMYCSWJMGREM-WBIBEUCMSA-N	719.047	5.438	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	162429620	CTNHFOBYHNPOKW-QXUDOOCXSA-N	667.209	5.824	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	216044642	ROCWWXVVTYSQOX-MBTHVWNTSA-N	540.414	5.645	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Br)cc1	408527464	FVNDBJGNPYXUFP-JJKQSNDFSA-N	629.271	6.770	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	408530717	MNVNPSCRXJSPKV-OKCVXOCRSA-N	502.412	6.052	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1	408538461	NEYYTBAIRYHIBE-KOEQRZSOSA-N	555.030	7.148	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)Sc1nc2ccccc2[nH]1	408598911	KYOPIBMVKFPNNF-UDWIEESQSA-N	591.328	8.477	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4cccc(I)c4)cc3)[nH]c2cc1C	408606193	PCMPZAYJERGOQG-XDHOZWIPSA-N	548.384	5.866	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O	408652446	ONXKLIDYRUUGPF-OZTQZWFPSA-N	568.284	5.916	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408676471	DCPVISRYIAMPOF-VTAJJLHNSA-N	586.202	5.240	50	40	KKGB	
CC(C)C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408691257	ZBSNQCLJZRZAAI-LBPRGKRZSA-N	654.128	5.078	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc(I)cc1	408711588	AJULIBYNSQGYOI-IPPBACCNSA-N	758.135	6.997	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1	408726046	PBAFKOMULOZMMP-XKZIYDEJSA-N	552.412	6.431	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c1	408744598	GEBKXFHDKNBUMM-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)ccc1I	408746249	CXSLZEYKPBMNHW-LGJNPRDNSA-N	579.232	5.714	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)ccc1I	408747520	PBYWYEJAPJEQRO-OPEKNORGSA-N	542.204	5.778	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408761945	IRRLWWIMMDNJEP-YVLHZVERSA-N	610.313	6.776	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1	408762978	CXVVCOQHPHFPAA-CMRFDPCTSA-N	605.544	5.163	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)cc1	408784621	VFVXAFTZHPBPAI-JZJYNLBNSA-N	502.039	7.031	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408788921	NCFBXCDWJOPJNV-LZYBPNLTSA-N	547.192	6.789	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408790070	NAYDTCAOMQEGLN-HYARGMPZSA-N	626.447	5.756	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408796488	OYIBTTITBLKFMZ-LZYBPNLTSA-N	638.643	6.740	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1	408798621	WCVBQOGEWAMRAW-ZVHZXABRSA-N	501.413	7.834	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	408818684	QBWJLPYKBUKQNG-YBFXNURJSA-N	526.228	6.645	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC	408828544	MXZMODRHRKUYHZ-DEDYPNTBSA-N	602.856	6.867	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408833015	SPYINDIQAHOSDV-AFUMVMLFSA-N	666.399	9.167	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(F)cc1	408838391	FANDKUOWMJOEHS-XJECJHNESA-N	645.554	8.115	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccccc1	408842304	IVFSXRFJIQMTHH-KVAAJVFYSA-N	647.982	8.321	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408843716	MTEVHTCGRVTWCC-KULFSUQXSA-N	696.454	9.365	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408856516	HMBOZVUQVUGDJW-DPNNOFEESA-N	612.535	6.235	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4ccccc4C)c3C)sc3c2CCCC3)cc1	408857908	PXAXPVWQLKHGNJ-CAQPMQTCSA-N	539.705	7.059	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1	408864745	ZKFBUBMVFGBXGX-WVKHYPTHSA-N	701.632	7.479	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(I)cc1	408879449	DMDQQGOIAMOIQQ-QGOAFFKASA-N	514.750	6.069	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1C	408886245	IZGVTCIKIDGSDT-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1	408890829	ZVQFTEHNBVHEDN-KKMKTNMSSA-N	629.676	6.067	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)c1	408892015	XGMFTBGMQCDCAB-XAZZYMPDSA-N	525.600	6.623	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCc1ccc(C)cc1	408896413	RAFYNZUYWNNGRA-LGJNPRDNSA-N	534.781	5.605	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408899128	ZHYSJUTWQGRCOM-CPNJWEJPSA-N	510.462	6.003	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)ccc1Br	408904050	CWVCXYIKQNELPZ-LGUSAWBASA-N	576.105	8.106	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1c(OS(=O)(=O)c2ccc(C)cc2)ccc2ccccc12	408922185	DUPNVHAWWYVLDK-HEHNFIMWSA-N	526.570	5.248	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1	408922745	GRFGLJUYKRGNSZ-FKZKYSLJSA-N	701.958	5.029	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(I)c1	408946975	NEQYPPXYCNAASA-HHHXNRCGSA-N	763.452	5.518	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408962063	GGGRTDQPTCHSOP-KVSWJAHQSA-N	552.303	5.728	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1	408984805	SSBKIDGJAFUKDJ-NVMNQCDNSA-N	515.780	6.778	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)cc1	409006858	RFBIRBXPJNDOSP-WVHTYMOGSA-N	589.648	6.273	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409040058	HGPVYULKPPFDDH-OHUYPAJKSA-N	611.452	6.924	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4cc(Cl)ccc4C)C(=O)[C@@H]23)o1	409043195	YCBNVFIJEQAVIP-IGTHXMFTSA-N	550.014	5.516	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c(Cl)c1	409053680	OCHHMTWAJNAYPY-KBKYJPHKSA-N	675.648	6.109	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCc1ccc(Br)cc1	409055428	IPBWBXBBHFNMLA-QDYZPQLESA-N	597.291	5.918	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)cc(I)c1OCC	409170709	XBJOEWMVBQJOSE-VULFUBBASA-N	571.843	5.310	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1ccccc1C	409173364	PNHSUVZGUAHZEN-XKJRVUDJSA-N	608.276	5.179	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)ccc1Br	409186318	AIMZXMWLUXNXTR-ZRGSRPPYSA-N	596.117	7.017	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409187088	LVUVLZKOBFKECK-WQRHYEAKSA-N	560.673	7.298	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409203278	WXYHNPGGKKSFQN-XKJRVUDJSA-N	558.314	7.520	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)Cc4ccccc4)cc3)cccc2[N+](=O)[O-])cc1	409220042	SYVLRBAMDJXGOC-LXELEWBSSA-N	578.581	5.167	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409222859	DMIJTJKNFTZVHO-UHFFFAOYSA-N	645.724	7.645	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1	409224942	ODRKDHVCUDBFIZ-UHFFFAOYSA-N	649.339	7.064	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccco1	409226653	QIMGLUVXAFDPEQ-UHFFFAOYSA-N	552.370	5.830	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1	409248038	JPOVEWJTNMTYKA-QLTNSANVSA-N	539.857	6.865	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409261386	BDSYZKVNXCTUEL-FQTKLMGGSA-N	544.410	5.613	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br)Nc1ccccc1Cl	409263801	CCOQRDYQRUKGOY-ZRGSRPPYSA-N	521.198	5.537	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409265284	UGSPKMINZBQLQF-VATWTLTGSA-N	609.258	5.215	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1OCC	409320507	QERFJTYWEXSMIL-YKQZZPSBSA-N	553.453	6.154	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)ccc1OC	409320729	QYTXKCJPPAUJQN-DBFSUHOCSA-N	582.329	6.340	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OCC	409321540	IFFKXKVAYFFNLV-UHBFCERESA-N	540.016	5.236	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	409324903	WERGMUVRLPUROG-UVHMKAGCSA-N	660.677	5.830	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	409366249	ZIXNNVYNDAINAS-MUXKCCDJSA-N	564.705	6.699	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371144	BOUVLLYEVMYDHQ-FMCGGJTJSA-N	532.337	6.996	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1	409378882	SZLISEBBROEIDE-WCMJOSRZSA-N	518.976	5.668	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)[nH]c12	409394526	BOPXKBSEBOGPRI-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409394621	CWXAVHJLAYKPBB-UHFFFAOYSA-N	652.025	7.516	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409396022	VKFAEALWAHDVAE-UHFFFAOYSA-N	699.321	8.670	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396162	DDIIPJLYASWZNU-UHFFFAOYSA-N	616.630	6.022	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409396794	BGTLAXZBQCUQGI-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409399371	ZZPSIURMARVTJJ-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCC(N)=O)c(I)c3)o2)cc1	409400068	BGMSOMUKNLNXCJ-AAPHRLRXSA-N	738.320	5.103	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(C(=O)O)cc1	409406170	WCUNVTUNWIYRGU-GLJXUZQSSA-N	633.701	7.044	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)o2)cc1[N+](=O)[O-]	409409103	NEMWHSCYUKNWQY-LJUMEUDFSA-N	538.560	6.507	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCc5ccc(Cl)cc5)cc4)ccc32)cc1OC	606422504	ZNBUMIAHPCBNLO-PMERELPUSA-N	569.013	6.374	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1	1529548404	FSBXJWGWDHOSOC-BVIORAGMSA-N	716.054	5.965	50	40	KKGB	
CC1(C)c2cccc([C@@H](N[S@](=O)C(C)(C)C)c3ccc4ccccc4c3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21	1857795045	INPFKBHUCNWXCW-TZGPWIOESA-N	653.828	9.171	50	40	KKGB	
COc1cc([C@@H]2[C@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccc(Cl)c(Cl)c1	1102222	FIDZTXFDXXOGBB-YADARESESA-N	523.445	5.738	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc2)sc2c1CCCC2	1785203	UFYJVUIAKKOQTL-QUQJVCFCSA-N	588.513	6.280	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1COc1ccc([N+](=O)[O-])c(C)c1	1816700	VCJLCQFCTNEGTC-UVHMKAGCSA-N	509.971	6.123	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)N(CC)CC)=C(C#N)[C@@H]1c1ccccc1Cl	2202818	LPBIDTXPVSNZMP-QHCPKHFHSA-N	510.059	5.338	50	40	KKGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	3086975	PSMLZDPREKKQEB-RPPGKUMJSA-N	566.633	5.613	50	40	KKGB	
O=C(Oc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1ccccc1Br	3113326	URGYBIBAFWYSPL-NDZAJKAJSA-N	529.390	5.055	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OC(=O)c1ccc(OC)cc1	3231338	QHSRPVFKMGOMGF-XMHGGMMESA-N	510.468	5.878	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N	4046059	RFBTUKRLSOJBMC-XDHOZWIPSA-N	509.400	6.700	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCc1c(Cl)cccc1Cl	6166559	LMTOYEOLAPSNAM-HBHSWBPBSA-N	607.519	6.478	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1	6600424	FWGFRYUZEFKXLF-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccco1	12250137	LIHDZBASFSJXPH-HHHXNRCGSA-N	526.662	6.165	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3CC)=C(C#N)[C@@H]2c2ccco2)cc1	12250165	FEIHMHSYBUWHML-MUUNZHRXSA-N	526.662	6.111	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12	20059565	WHHHEFMPWXCQHM-LQKURTRISA-N	512.418	5.492	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Br)CCCC)CC[C@]4(C)[C@H]3CC[C@]12C	70692195	UAMJDBHGEBLGGF-JZUQMKTFSA-N	579.773	10.898	50	40	KKGB	biogenic
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	98000179	UMAOTJJAOGRUHJ-QHCPKHFHSA-N	559.913	6.756	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC2(C)OCCCO2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100067939	QOOFZSNMEHHGSV-RPPGKUMJSA-N	546.245	5.337	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100125231	UZDXZGZRGSLDBJ-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1	100161106	PNZXAKYNECWDFW-BUVRLJJBSA-N	588.445	7.140	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	100232859	PKXLJFFUSFXZKE-NDENLUEZSA-N	525.830	6.934	50	40	KKGB	
COc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C(C)=O)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	102760666	YDKWFWUPKIWYNK-HHHXNRCGSA-N	542.617	5.197	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(Br)cc1	102933045	ZYNDGXMOTGITME-NVMNQCDNSA-N	586.236	6.043	50	40	KKGB	
COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl	103593122	PTKBDLJNKFWQLQ-IZZDOVSWSA-N	518.747	6.217	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	105437209	IVBYYKFQGKQZMC-KEIPNQJHSA-N	584.097	6.418	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3Br)o2)c(C#N)c1C	107657010	GQMCNASDTSUEBT-MHWRWJLKSA-N	523.408	6.155	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1	112255001	PSDBJVRDEVCGPS-ULNSHMHTSA-N	614.658	5.279	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	118933554	FTMKSVKJLVFTLW-RUXQDQFYSA-N	564.918	9.606	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@@H](Br)c2ccccc2)c1)c1ccccc1	139125132	IWCUOHKKHNYQLC-BDYUSTAISA-N	528.402	6.483	50	40	KKGB	
CCCCCCCCCCCCCCCCCC/N=C\C(C)(C)SSC(C)(C)/C=N/CCCCCCCCCCCCCCCCCC	150616650	LUZHNJMQSFYZFO-WLVHBXHQSA-N	709.336	16.590	50	40	KKGB	
O=C(CC(=O)c1cccc(NC(=O)C[C@@H](/C=C\C=C/CCCCCCCCCCCCCCCC[C@@H]2CC(=O)OC2=O)C(=O)O)c1)Nc1ccccc1	150628746	PHQNIGWHORASIQ-PKGRSOPKSA-N	728.927	9.371	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	164059828	MKTURICOTGUHPS-XZYGTATASA-N	632.069	6.000	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC	408537400	DNDMXLKWHKZYDP-QNGOZBTKSA-N	543.458	6.529	50	40	KKGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br	408568274	ISYOWQKDVUYTQQ-GMJSKMFWSA-N	509.491	5.634	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408581081	UFSUUAYZMIDJPG-RQZCQDPDSA-N	557.300	6.281	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1	408603757	HDOBMUUNWIYYHH-HYARGMPZSA-N	572.065	5.760	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(I)c1OCc1cccc2ccccc12	408723000	PIJNLRKOUNRZIR-MUFRIFMGSA-N	551.384	5.581	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408730329	FRNVDUMCHKEUEZ-FXMZOFOKSA-N	602.308	5.321	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(I)c2)cc1	408744865	NSTQEMHJOOGXEU-KQWNVCNZSA-N	574.418	6.968	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)ccc1I	408746552	FCKPZPFBRUFGCF-PPDIBHTLSA-N	676.676	5.909	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408746892	HGNPHSACFGCDTA-MNBJERMJSA-N	549.852	6.068	50	40	KKGB	
COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)ccc1OCc1ccc(I)cc1	408768831	KALQIZAFNHMDLV-SUMQKMBZSA-N	575.410	5.087	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1	408774637	WTVUERLDZTUZRN-CHHVJCJISA-N	604.080	5.827	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccccc1F	408789432	JDQCGHZWOLXOOB-RQZCQDPDSA-N	515.766	6.375	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)cc1	408790589	XDEDTBAAUWPQSN-CIAFOILYSA-N	582.394	5.520	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Br)c1	408793537	FGRYJMZDJCPNCJ-MFKUBSTISA-N	632.352	8.224	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408798614	WBZJGJNONXRTGR-ZVHZXABRSA-N	699.372	8.700	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408800366	ONTGZLJISAPQHK-BUVRLJJBSA-N	599.481	7.221	50	40	KKGB	
COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c1C	408815886	VSQMFPWEOILFRB-UCMJSZAQSA-N	517.585	6.572	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1Cl	408817772	NZSHNGCCLDCZCY-OPEKNORGSA-N	537.381	5.657	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408826526	HBQDOQPQBOSDLE-KEIPNQJHSA-N	609.535	6.290	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	408826723	KPCGGNLGESIFCS-ZVHZXABRSA-N	622.346	8.768	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1ccc(Cl)cc1	408839236	PEZGALKMCBWDAN-KPGMTVGESA-N	560.510	8.032	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408842481	POCGBCZZPDSGLC-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408843633	MMWFDWZGODCVAX-DNLMRDPPSA-N	625.062	7.098	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(I)cc1	408843639	MNMLYXDLLZUWAC-XJECJHNESA-N	753.460	8.581	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2ccccc2o1	408848144	QEKYCYWDHALXBY-MNDYBZJGSA-N	578.260	7.454	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408879147	CQCFBIFARMYXHC-OQLLNIDSSA-N	596.684	6.178	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(I)cc1	408886716	INBKGFSAARIXCZ-CXUHLZMHSA-N	672.542	7.594	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccc(Br)cc1	408890699	XUOKINRJYCHYPS-DEDYPNTBSA-N	521.367	5.671	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(=O)c1ccccc1	408890806	ZNDKSZZOSQYUNU-LICLKQGHSA-N	560.231	6.919	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)cc1	408897119	VVKRXYVVXFPZOA-LDADJPATSA-N	507.340	5.231	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c(OC)c1	408926935	ZXPHTNQBVSCRGX-ITZWDSNUSA-N	714.735	6.058	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(Br)c1	408942640	GKMQFOAERILADU-GDLZYMKVSA-N	788.515	5.852	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1cccc2ccccc12	408966176	KGZRZCRNYZFURC-KPGMTVGESA-N	593.396	6.197	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408967902	XZQZZTZNLBEXNH-LUOAPIJWSA-N	610.191	6.595	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408999185	PPEDCKFBSVOKNL-NHPPUKNOSA-N	520.677	6.403	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1cccc(F)c1	409021290	AAUAIUFDCBYZAH-BVMLUPFRSA-N	507.949	5.534	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409023047	FXODFMNTRFCFNU-IKQNMSGQSA-N	588.642	5.271	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	409036625	LYVYGYRTFYUDCI-NNLKUIAGSA-N	585.107	8.306	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409057627	QEBYZJRBZJSQFN-KKMKTNMSSA-N	522.772	5.835	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC	409074539	VGGAJYZBKMWFES-OKCVXOCRSA-N	576.502	5.216	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCc1ccc(Br)cc1	409075874	UXNOVRIAEMHFBS-PCLIKHOPSA-N	545.477	7.318	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409077598	FLVJOUKMPNROGO-KBKYJPHKSA-N	591.212	5.120	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)ccc1OCc1ccccc1Cl	409084690	YLFQBYISTKXPND-UVHMKAGCSA-N	549.796	5.094	50	40	KKGB	
N#CC(C#N)=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409089579	JDARUVQRSLSUNN-UHFFFAOYSA-N	562.148	6.059	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409092655	VZJPRYGWCCIBIZ-KBKYJPHKSA-N	524.198	5.813	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409102578	BDPQWJMXWCZVPU-QHCPKHFHSA-N	576.230	6.290	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(F)cc2)cc1OC	409116304	ISBRYFDXUBJJRQ-DPNNOFEESA-N	592.693	5.213	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409145368	OAVKUFMOIWOEMW-LGJNPRDNSA-N	579.778	5.133	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(Cl)c3C)c(OC)c2)cc1	409162947	JUHKDMKSBVSCQJ-IBBHUPRXSA-N	678.911	5.157	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)c1	409185202	UDKVEWWNAIEGGI-UXHLAJHPSA-N	595.519	5.211	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409194192	OGOPAXXXEQXZCW-MZJWZYIUSA-N	530.806	5.283	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)c1ccc(Cl)cc1	409226913	WPDBRWUKINYRMQ-AHSJSASQSA-N	600.889	6.613	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1Cl	409233987	VFBJEGIEGUBTGB-WCEBZYJUSA-N	525.830	6.474	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)n1	409236305	DKSUXVUBMBSQBR-OPEKNORGSA-N	519.852	5.331	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409241191	JICLRNQWSMBKKO-IWEBCOIVSA-N	560.275	7.128	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2C)c(C)c1	409255671	MRJYAPIBWVQXQU-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br	409256464	ORTKNVHPLCLYOC-LICLKQGHSA-N	603.698	6.737	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(OCC)c2)ccc1OCc1ccccc1	409257066	NSSJDUMGAFVBPI-CLHYIUPASA-N	674.592	7.224	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409261958	FQHUFRLXOQTXNJ-DEDYPNTBSA-N	534.410	5.719	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl	409263218	IIGAEEBRWFJZCM-BCHBDCPOSA-N	624.673	5.863	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409314159	DZYFDPWUEPVVPZ-FDVSRXAVSA-N	583.877	6.142	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409319565	IKHIJWUCAATMIJ-KYHGBAKBSA-N	621.002	6.699	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OC	409324779	VAROYALLQQFECR-UHBFCERESA-N	557.416	5.903	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OCC	409337031	VXAFHIDKKCYNFX-MNBJERMJSA-N	643.478	5.435	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409362724	JXUFQTCWPJXOFF-KKMKTNMSSA-N	551.666	6.006	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409366595	WVFXBRSCEUGEOT-LUOAPIJWSA-N	596.663	5.914	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1	409372951	REHPITPSUIMRHP-UCMJSZAQSA-N	591.649	6.651	50	40	KKGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cc4cc(Br)cc(Br)c4o3)c3ccccc32)o1	409391934	KIPSZSBYXDOLBG-IPBVOBEMSA-N	599.235	6.104	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCc1ccc(I)cc1	409392353	PEDPMAPBKOKOIO-ZDLGFXPLSA-N	677.280	6.823	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)cc1OCC	409395173	KPOOXRRPCUSOMO-UHFFFAOYSA-N	729.842	9.338	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(OC)cc3)[nH]c12	409395912	TXJAAHVLOHVOPU-UHFFFAOYSA-N	675.377	7.914	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397402	JMKGIDJJULSLDR-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397579	LLDGVOAJIZKXDM-UHFFFAOYSA-N	608.481	8.287	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(OC(C)=O)c(OC)c3)[nH]c12	409398552	UJAWHKPDJOFVNP-UHFFFAOYSA-N	610.066	6.968	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)c1	409398943	WSOSYJCVVGHJQM-UHFFFAOYSA-N	552.030	7.097	50	40	KKGB	
CC[C@@H](C)Oc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409400161	BTZRBFKDSKHVJD-NMQPEJGJSA-N	594.506	6.978	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OC(C)C)c(Br)c3)o2)cc1	409404275	PQNPNOBVIZSOJH-UHBFCERESA-N	550.453	6.580	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2OC)cc1	409410600	YFJITKZDDCVWEX-OJYCWLPVSA-N	593.636	6.266	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	1529546862	HWECVCGCXCXWJG-XINRNAFCSA-N	734.442	5.815	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1	1529548027	WDIMEVHFGMGNRR-MKEMXLLOSA-N	807.461	5.216	50	40	KKGB	
Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccccc3OS(=O)(=O)c3ccccc3)cc2)cc1	2176554	PBAQQOQWNMPRQT-VUTHCHCSSA-N	500.576	5.106	50	40	KKGB	
Cc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1	2353277	VAKHJEGQIYVDNP-CVKSISIWSA-N	506.429	5.248	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1	2395417	QWQSCRKGKJJEEN-CZIZESTLSA-N	508.578	5.729	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC3=C2C(=O)CCC3)cc(OC)c1OC	3277133	JMTVHMNERHIUTF-DEOSSOPVSA-N	574.486	5.820	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(Br)c1OCc1ccccc1	6166409	JHMNSFDVIJHOGU-YABKDAIQSA-N	609.546	5.644	50	40	KKGB	
Cc1c/c(=N\NC(=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)oc2cc3c(cc12)CCC1(CCCCC1)O3	13655207	XHOPPIZNZLDSAJ-MUGXBBEHSA-N	537.701	6.032	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(-c4ccc(F)cc4)o3)cc2)cc1	33741497	OAWRVMSLNBACSW-OGLMXYFKSA-N	507.543	5.049	50	40	KKGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(CSc2ccc(Cl)cc2)cc1	58915995	UECFSRYWUDRPIL-JVWAILMASA-N	511.003	5.141	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3c4ccccc4cc4ccccc34)nnc2-c2ccccc2)cc1	97951426	PLUVNQHXHHKIIK-UCMJSZAQSA-N	527.653	6.792	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1	98001210	UEBRLSXBHKTQLK-KVAAJVFYSA-N	658.431	7.982	50	40	KKGB	
C/C(=N\NC(=O)C(=O)N/N=C(\C)c1cccc(NC(=O)C2CCCCC2)c1)c1cccc(NC(=O)C2CCCCC2)c1	102228123	PGEZHLQVRFQNFG-JTOYJDTJSA-N	572.710	5.105	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc(I)c1OCc1ccccc1C	102932989	YQNXNENHTUJHSY-RGVLZGJSSA-N	613.408	6.040	50	40	KKGB	
CC1(C)C(=O)[C@](C)([C@@H](Br)C(=O)c2ccc(Cl)cc2)C(=O)O[C@@H]1c1ccc(Br)cc1	103001168	ADXWRPVULOFEOR-SVMVAKDDSA-N	542.651	5.948	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4cccc5ccccc45)c3C)sc3c2CCCC3)cc1	103794296	JXOGBNMBFVTULP-JEPNHJGPSA-N	560.723	7.512	50	40	KKGB	
CCCCCCCCCCCCNNC(=O)[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2[C@@H](O)[C@@H]1CO)OCO3	104124842	RIGXOJYTTTVIFJ-DZVDWBIPSA-N	614.780	5.386	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](C)SCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699724	CMPVVVYZWVCOBM-ZPTAESHXSA-N	539.701	6.462	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)cc(I)c1OCCOc1ccc(C(C)(C)C)cc1	150479094	VQWSGFZHRJZCGU-ALQBTCKLSA-N	727.625	6.160	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\Nc2ncnc(N/N=C/c3ccc(N(CCCl)CCCl)cc3)c2Br)cc1	150483888	IAQQCTDMZAECMS-MGDMGSQXSA-N	675.290	6.699	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551691	LYTSCMMLALLHQS-UDWIEESQSA-N	538.431	6.572	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1cccc(C(=O)O)c1	408567908	GSXLSPKHSVVLFG-IUXPMGMMSA-N	522.330	5.814	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC	408581152	GVALUNJWDRFCQF-VCHYOVAHSA-N	504.391	6.151	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccccc1F	408581291	WASSQTPPRAJICM-YBFXNURJSA-N	531.219	7.393	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCc1c(Cl)cccc1Cl	408609203	JRHJVGQHLZBQTA-CCVNUDIWSA-N	500.382	5.368	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408731213	LHAJTPICCGACIW-VFLNYLIXSA-N	574.877	6.022	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408740029	HWEHVSVCBKSNFG-MHDJOFBISA-N	570.904	7.796	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408743987	CZZPBPIXXZDKFA-CHHVJCJISA-N	662.536	8.139	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(I)c2)c1	408744632	GGKPSFYIDCYMMQ-ODLFYWEKSA-N	542.348	5.954	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747454	ODWRGIUIPYJEJT-KYHGBAKBSA-N	567.842	6.207	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)cc1	408763282	MMDTYTXFXIIGOQ-KGENOOAVSA-N	505.368	5.750	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccc(Cl)cc1Cl	408769609	XDSLFDZOCGYBSG-UUASQNMZSA-N	545.204	5.617	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(I)c1	408774439	XDTQCWZLNHOKDE-OVVQPSECSA-N	595.890	5.297	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccccc1	408775819	VAIDTTGFCOWINK-RUMWWMSVSA-N	521.642	5.901	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408790427	WCNOIGPOSMYUFL-KEBDBYFISA-N	583.382	5.950	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I	408793245	OAKZWRZUXFITQX-AWNIVKPZSA-N	592.602	5.802	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1cccc(F)c1	408796880	QGXNSJNHAWZBNA-RGVLZGJSSA-N	553.384	5.898	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(I)c2)cc1C	408796980	QNOXIPAZBQOPBE-UDWIEESQSA-N	542.804	6.686	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798262	VRIDXKUFAMYSQC-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Br)c1OCc1ccc(Br)cc1	408802216	YMVQJQWPSBJVTB-MXYMETFWSA-N	576.329	6.791	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408808380	GAJCDTUVBUUTBT-MWLSYYOVSA-N	614.281	6.592	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408825116	AGJLBCGKQCEYQV-HZHRSRAPSA-N	652.770	8.569	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408830016	NMNZWQCMBAAPBZ-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408833900	WOQIPMAWUKFZNR-KCSSXMTESA-N	642.959	6.036	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408839384	RMIBZSJBZMLJKF-XJECJHNESA-N	681.395	8.135	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1cccc2ccccc12	408840384	YMDZUGOSKSUZBR-OEPDXVHDSA-N	698.042	9.474	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408841929	HHOATRHGOJOYLU-QQMJPZKZSA-N	736.258	9.513	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408842748	BABWQJQSXFOTEG-KOKCXWAISA-N	710.399	8.716	50	40	KKGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408844226	NAIQQJKGXYYAJT-RPPGKUMJSA-N	557.813	6.242	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1Cl	408846241	PTHJUJYBLLINMX-DBSPGSINSA-N	689.981	8.452	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408874222	ZKRVVVPNIVWFDN-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)c(Br)c1	408888221	TZWLEZKBDSNHDO-PXLXIMEGSA-N	576.288	7.798	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408888461	ZZZNASCGQFZWMO-XSFVSMFZSA-N	620.297	7.528	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408888726	ZQRVDNNGWCDSJU-IPBVOBEMSA-N	549.918	6.420	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1	408889026	ATZFKUGAPXJAPN-HAVVHWLPSA-N	510.977	6.795	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)c(Br)c1	408890121	ODWKNSWFCAJVOI-LDADJPATSA-N	544.218	6.784	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408900819	XQFMCRBSOIOTSX-MHWRWJLKSA-N	594.814	5.267	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(Br)c(Cl)c1	408904833	PFJWUIYFIDYJTJ-GATIEOLUSA-N	515.751	5.928	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c(Br)c1	408925327	RAFWSTMIAQQDTO-SFQUDFHCSA-N	574.656	6.938	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	408942581	GFXHZQSNYBZRIZ-MHZLTWQESA-N	614.555	5.286	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)cc1Cl	408942807	RPVKSKSSZTWNOS-KBVAKVRCSA-N	531.012	5.424	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408946990	ZZMANRMINUIAMG-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408949150	QOCKATMNZYDYBN-JGCGQSQUSA-N	711.668	6.585	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c(OC)c1	408950245	GRXIEZMJZRXDGK-MOEPSENCSA-N	641.508	5.301	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1cccc(F)c1	408951131	LOGWECBRIXFLEY-NHDPSOOVSA-N	595.412	5.765	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N	408951573	UPGKBQHMHZLWFU-UVTDQMKNSA-N	522.815	6.550	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	408952624	WIIUPQQFDSIMQE-HHHXNRCGSA-N	645.540	5.597	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)c(OC)c1	408953611	MFLNLBHJFSIUQM-QDEQFUQDSA-N	665.747	5.402	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1	408954716	ZOEFGNPWCPOIQN-HHHXNRCGSA-N	716.998	5.475	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1c(C)cc(C)cc1C	408970047	ZEZSGSRWJDAGBE-SXARGACFSA-N	642.624	7.345	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)OCc4ccccc4)cc3[N+](=O)[O-])sc2c1	408992418	RTFANAAVPLPDRH-JQJUXGDMSA-N	645.723	5.465	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007713	QLRPDVOEZOYFSV-GXBUFBABSA-N	537.660	5.944	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OC(C)C	409023173	WWTVNQBRUMXRGJ-MYKKPKGFSA-N	526.758	5.641	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409024767	NTRIFMFSZUBXFX-QXUDOOCXSA-N	618.756	5.472	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409046348	KFNGJZUIFHBZJN-VCHYOVAHSA-N	635.380	6.190	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409053278	BRKVTIDUNIKQDN-XDHOZWIPSA-N	531.410	6.114	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409076064	XHSIHSXMMFKEQR-JJIBRWJFSA-N	516.619	5.744	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccccc1	409083786	UMVYKDTZAKVCAC-MBTHVWNTSA-N	632.239	6.392	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(C)cc1	409138190	ZJFCQLXUXVHMND-VWLOTQADSA-N	522.443	5.465	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1	409151804	CBXDSXORZATORB-WCMJOSRZSA-N	587.460	5.287	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	409185885	RYIFRJIGRNYUKB-SAEPALGJSA-N	660.114	6.991	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4cccc5ccccc45)cc3Br)cc2c1	409187601	SHRBEDIYDUKPQB-OHUYPAJKSA-N	587.470	7.489	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc(F)c1	409212974	RWBAWLOUQDDHKC-GRSHGNNSSA-N	544.320	6.380	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409222939	FLFXEJNKBJOZMT-IMSFQSEMSA-N	602.474	7.027	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1	409223614	GMJOZGFQCZOPOT-UHFFFAOYSA-N	562.376	5.286	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	409227169	SWQSBYVVQRONPM-OQLLNIDSSA-N	607.661	6.567	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	409241879	SNYQSJCNUWTQNE-YVLHZVERSA-N	514.334	7.561	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1ccccc1	409244188	ZDNKPVCOZROZAM-IWEBCOIVSA-N	652.245	6.398	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(Cl)c2)ccc1OCc1ccccc1	409273285	WWYJLRFFOAWNBB-AEUUOICLSA-N	606.506	7.061	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409312719	HEYKUWPOCSRGTR-SFTDATJTSA-N	602.418	5.521	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409319538	HYLYBPODOVGOGI-FDVSRXAVSA-N	653.311	6.203	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)ccc1OCc1ccccc1	409323296	MYUGCLQKIBWJAU-VHFSBPNMSA-N	627.952	8.366	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	409337470	VETACNOWWRUESO-NDBMRGPPSA-N	544.789	5.762	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409356764	GLHBLAYZMHTSPW-VFLNYLIXSA-N	534.813	5.782	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)Cc2ccc(Cl)c(Cl)c2)cc1	409368109	RQNQRVGUBXZVEJ-KKMKTNMSSA-N	569.854	5.205	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1C#N	409371380	IDPASNTXSKSFMQ-UKWGHVSLSA-N	537.313	5.723	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OCc1ccccc1	409390515	DQNKYVNIEAMSCO-KBVAKVRCSA-N	579.438	5.984	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)[nH]c12	409394747	FJIMOZSRQFYZOC-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395221	LEBRARVWKJTIMT-UHFFFAOYSA-N	658.833	8.392	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409395394	NCZODJAMWJKTTI-UHFFFAOYSA-N	634.452	8.162	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)[nH]c12	409395454	NUKAQXFKWFSOMG-UHFFFAOYSA-N	676.752	7.868	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc(Br)cc1	409395777	RPPOQTPWBVSRGZ-UHFFFAOYSA-N	746.253	9.259	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C(F)(F)F)cccc4c3-c3ccccc3)cc2OC)cc1	409397597	LQCVCNVWPGCEDN-UHFFFAOYSA-N	587.554	6.854	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398424	SXOJKRISPPPKER-UHFFFAOYSA-N	698.344	8.128	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccccc4F)c(Br)c3)o2)cc1	409401817	IEEVTSYGRYRVBN-VHFSBPNMSA-N	659.512	6.949	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCC(=O)Nc3ccccc3F)o2)cc1	409406033	VTNNUDQJSNZYGX-VHFSBPNMSA-N	659.512	6.949	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3ccc(Cl)cc3Cl)o2)cc1	409406487	WXDDVOSXEFIHIF-QMRORBIVSA-N	633.488	7.824	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1O[C@H](C)C(=O)O	409406907	XYYFMASITDGNIO-XVIDZLOXSA-N	671.488	5.885	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1	1790658	QZFNRQYYTCSLSI-YDYXIROLSA-N	508.430	6.367	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccccc2)cc1	1797000	BAILDWBTQQZVBY-VULFUBBASA-N	506.975	5.047	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1	1878334	XQMPEJJIHNHPOZ-MDASCCDHSA-N	552.101	5.488	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)n1-c1ccccc1	2097019	BKYRYPRQXGBIDQ-VVEOGCPPSA-N	559.910	6.390	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OCc1ccccc1	2595933	JLINQLNEJNZRKZ-BIZUNTBRSA-N	550.640	5.216	50	40	KKGB	
C[N+]1=C([C@@H](I)[C@@H](I)c2ccc(N)cc2)C(C)(C)c2ccccc21	4522481	UKMNWLCXOUGZHO-IRXDYDNUSA-N	531.199	5.255	50	40	KKGB	
C[C@H]1C(=O)[C@@H](Br)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C	5733775	RKDXAWVGESLWJN-HTLOPDRHSA-N	505.625	8.830	50	40	KKGB	
COc1ccc(C(=O)c2ccc(/C(C#N)=C\c3cccn3-c3ncc(C(F)(F)F)cc3Cl)s2)cc1	8925805	ZROWFCHLZBVPFG-WJDWOHSUSA-N	513.928	6.910	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OCc1ccccc1	13388161	KPJJGNOZUVZTPP-WOJGMQOQSA-N	508.328	5.491	50	40	KKGB	
COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1	59417187	YCMZOGAZQPMJEG-RPPGKUMJSA-N	504.377	5.087	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	59856005	JHSCLZBKJLUAPN-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1	97961959	LCWFGGRGPCAWET-KVQDIILNSA-N	522.693	7.497	50	40	KKGB	
COc1ccc(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Br)ccc4n3)cc2)cc1	97962730	ZIOFSXDLLXOFED-HNSNBQBZSA-N	566.455	6.869	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1	97966652	YYLKKYNTPXVBDE-XAZZYMPDSA-N	637.882	5.057	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(I)c(O)c(I)c1	98001441	HYFDHGGSZCPKGB-AUEPDCJTSA-N	635.037	5.210	50	40	KKGB	
CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc(Br)c1O	98048422	BDTPWMVAAZXOFP-MRXNPFEDSA-N	565.287	5.535	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125490	OFWINXXYYFAOPC-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)c1	100330188	INSZXXCNJUSDMZ-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)c1	100989490	YDXANMUDTQGVCO-YMGIJWJESA-N	552.881	6.476	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl	101305153	IQMCMXYTYIROPL-AREMUKBSSA-N	544.076	5.786	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1	101905926	KQIMYADILGNAHI-WQRHYEAKSA-N	542.227	6.345	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C(C#N)[C@@H]2c2ccco2)cc1	102760593	MVFUJICPNBEGSX-AREMUKBSSA-N	610.614	6.182	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCCN2C(=O)c3ccccc3C2=O)=C(C#N)[C@@H]1c1ccccc1Cl	102808535	POVJNFFVVQJZGE-VWLOTQADSA-N	570.070	5.766	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)NNC(=O)c3ccc(Br)cc3)nnc2-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1	150392246	HUXGHLJUBUZOSG-UHFFFAOYSA-N	707.632	5.368	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)ccc1OCc1ccccc1	150423687	GKSWHMFBQGEAMP-HZQMBONKSA-N	668.215	7.786	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccccc1	150496657	KUFPLRZSDJAGHM-YVLHZVERSA-N	638.097	6.941	50	40	KKGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(NC(=O)Nc3ccc(Cl)cc3)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3)[C@@H]2C1	217454841	NYZNEOZCCYZRFQ-GJQIQAERSA-N	544.486	7.722	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(C)cc3)cc2OC)ccc1OCc1ccccc1	408539211	FVTKBBJYSQTYJX-OHUYPAJKSA-N	589.486	6.697	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408539249	URJKSPNDFXQJFV-CEUNXORHSA-N	562.666	7.496	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2OC)ccc1OCc1ccccc1	408539328	VLWPMAMTPFYULM-KOKCXWAISA-N	642.177	8.101	50	40	KKGB	
COc1cc(COc2ccccc2/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccccc1	408540325	QAZDZOZWKWMVCJ-NLRVBDNBSA-N	526.430	7.680	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)ccc1OCc1ccccc1	408540464	SECLATVFISWXDT-DLCNMLRHSA-N	583.899	7.967	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	408550276	CGTCHHZMJVQCHH-AEUUOICLSA-N	622.505	6.761	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552141	OOZCRFIJMKJKSU-OVCLIPMQSA-N	620.230	6.829	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1	408567541	FPFJWHUEAPWCMR-IPPBACCNSA-N	604.523	5.613	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OS(=O)(=O)c1ccccc1	408579544	HNOUUTGQNWASMM-OQLLNIDSSA-N	539.234	6.596	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccccc1Cl	408599451	VABRIPRRTVPFQX-WKULSOCRSA-N	576.862	6.594	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408676751	NCXORIKOCJCXDA-WKULSOCRSA-N	591.731	6.808	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1ccc(I)cc1	408710541	CXPCRJWPTXOBQN-CCVNUDIWSA-N	639.284	5.813	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1	408720099	SAXCNRMAPPXNLJ-LGJNPRDNSA-N	544.427	5.328	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccccc1	408743431	UBEJFRNYJXDWFG-MFOYZWKCSA-N	577.191	6.317	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)c1	408753530	AMSJXSUTLAICIJ-LDADJPATSA-N	527.396	5.080	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1	408766080	OMKRQWDVGNFNDP-BUSZIJHZSA-N	572.525	5.180	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1	408774632	WSJKZIHKKJXHLQ-IPPBACCNSA-N	539.963	5.021	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccccc1	408776402	NSQAXABIQNJSOC-BIZUNTBRSA-N	542.060	6.300	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2ccccc2c1	408777876	KVKLNWNELPSZFA-VAMRJTSQSA-N	513.641	6.403	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(I)cc1	408816365	JMRIVTIWVBQDRY-WQRHYEAKSA-N	621.244	6.716	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1	408818447	XZKIUOJAISFBDP-BKUYFWCQSA-N	507.384	5.269	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408824313	HXDVFCCPMYOKQM-HPNXWYHWSA-N	612.151	6.915	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408832692	YOUNNAWKJRTBFE-WSBIKYRQSA-N	810.782	6.628	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408833812	ZCENHMMAWGZOSA-ATZGPIRCSA-N	677.404	6.689	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5cc(Cl)ccc5Cl)o4)cc3)cs2)cc1	408838152	CLHHASZJJSHPCQ-IBBHUPRXSA-N	547.467	8.193	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)o1	408838400	FFXWKFJIHWDRFH-FJEPWZHXSA-N	558.019	7.448	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408844984	JIGYDCVZDMLULD-UKWGHVSLSA-N	717.301	5.951	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1	408847170	ZWSLVOGGUDRXTM-RVDKCFQWSA-N	888.229	7.991	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408859589	YKFSTPSMLUDLEG-HYARGMPZSA-N	507.461	8.032	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)c(OC)c1	408867343	KLIFEQQLBXJTFE-LSHDLFTRSA-N	517.969	5.040	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	408872593	GWLDOOMLECHHQX-HNSNBQBZSA-N	592.117	5.890	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl	408885860	GAKIHAKAYCIKKB-MHWRWJLKSA-N	536.640	7.534	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl	408888120	XAPPUHQBWPDXFG-VIZOYTHASA-N	526.634	8.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Br	408888520	WNRWGDMBGCCOAT-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408893778	HOXTXYGEJXYEHS-CXUHLZMHSA-N	653.838	5.483	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Br)c2)c([N+](=O)[O-])c1	408899160	ZNIAPNDMTOVFHD-XSFVSMFZSA-N	556.372	6.584	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccccc1Cl	408904733	NTEPPRCSCNXTKM-QDTIIGTASA-N	642.719	7.149	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)c(OC)c1	408926769	ZFUNONLCKLBNFN-RZNGARSMSA-N	730.410	5.519	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408962661	JAKMCKXDDKWUNL-VPUKRXIYSA-N	546.170	7.118	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408963661	IMZYCNQRJOWNEA-AMBALQSSSA-N	572.489	5.436	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408972585	PGLPUOSLWFOIBI-IJRAPWFDSA-N	659.397	7.524	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408972669	QMOGXBAMCCZIDI-KMXPPJQQSA-N	587.342	5.993	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408989059	JPKSQTMHRHUEHD-NHDPSOOVSA-N	566.839	7.172	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc(Br)cc1	408990751	YLJAYQOIEDRLRO-XKZIYDEJSA-N	551.868	7.273	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1cccc(OCc2ccccc2)c1	409004380	CERUVRSYJBKRAF-KCSSXMTESA-N	582.509	5.914	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC	409013471	AEEIQJXFSLQLQM-ZLTBPCRRSA-N	744.713	6.475	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1c2ccccc2cc2ccccc12)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025728	ZSLDVRCJEFPHCA-BVHMBLIXSA-N	537.641	6.090	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409036078	KIGFYJCOYCCPBZ-MUFRIFMGSA-N	519.026	6.544	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2-c2ccccc2)cc1	409044088	GRCCWZRSWMQTGG-PNHGISFSSA-N	640.743	8.967	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409067986	FFMKSNHDSIYSQX-OEAKJJBVSA-N	550.533	6.655	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)cc1	409069029	UHHGNTCVXPDBAH-LFIBNONCSA-N	592.265	5.534	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1	409081466	PGUJPWGWIFDMTG-QGOAFFKASA-N	541.482	6.749	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1	409088001	DKPIMALEXQIDGO-AWNIVKPZSA-N	533.711	6.801	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C2=C1CC(C)(C)CC2=O	409126832	GCYYGWDCFFJSIP-DEOSSOPVSA-N	754.363	5.766	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)C2=C1CCCC2=O	409139542	BHKIMANHIKKGST-QFIPXVFZSA-N	568.269	5.392	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	409189529	QCRFWSUQHKGOBY-NTEUORMPSA-N	571.833	7.037	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)Nc2cccnc2)nnc1-c1cccc(Cl)c1	409190161	LRMXBFONYJIBAO-WOJGMQOQSA-N	531.985	5.618	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	409203651	YDHMKFUIWSQGIL-KKMKTNMSSA-N	645.744	6.537	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409209460	FOBYRHDQBDAUOH-QJOMJCCJSA-N	522.630	7.259	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1	409224074	HIQCXGCBARRCNC-CSMVZQPBSA-N	505.412	6.211	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409246981	AICZYGLURYTFEK-VXLYETTFSA-N	649.407	6.499	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409251671	BAIFSOIRTMCHLE-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(I)cc1	409253544	ZNCKIQXFQCCIAT-WCEBZYJUSA-N	664.281	6.268	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409258924	YHGKNXVRUOALON-YBFXNURJSA-N	568.855	6.291	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409264693	PINLUFKUEVWGEX-WSDLNYQXSA-N	562.464	6.255	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccc(Cl)cc1	409266204	PECBJUCMTXOSGR-QNVXDBMFSA-N	695.426	8.404	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2F)ccc1OCc1ccccc1	409319258	COZRCQQLVKZALV-BJUCDSOZSA-N	642.319	7.281	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)ccc1OCc1ccccc1	409322824	LRCLRJASWZCWAG-FZKWRIDDSA-N	695.510	6.919	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)ccc1OC	409327468	UIVDFZBGAYHDHC-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409363229	KKOHZJXPINIVCX-UDWIEESQSA-N	613.427	6.009	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1[N+](=O)[O-]	409368069	MNSOSSZRAOHDGJ-ZRGSRPPYSA-N	600.278	5.005	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F	409371755	HFNGSIJIGBMNJV-VYYCAZPPSA-N	530.350	5.167	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Br	409372085	FGUHZMOVUXXHFD-WYMPLXKRSA-N	506.194	5.536	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OC(C)C	409387040	SQBIBQIHXOSGLX-FOKLQQMPSA-N	553.378	5.364	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)cc1	409395419	NHVXGLCLGCXVGV-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)cc1	409395704	QUVDSRKYRHPKPY-UHFFFAOYSA-N	630.926	7.859	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396253	IFBOJAXUBFRQDC-UHFFFAOYSA-N	654.119	7.421	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OCC)c3)c(-c3ccccc3)c2c1	409396767	AXVBTSGSJYHMOJ-UHFFFAOYSA-N	616.501	7.922	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409396914	CXCDMXIKRULGDJ-UHFFFAOYSA-N	622.508	8.677	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398201	RRTIMGPPLTVCFS-UHFFFAOYSA-N	672.532	7.005	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3cccc(C(F)(F)F)c3)o2)cc1	409409661	PUCOYBRSIRESEZ-AEVGBRMKSA-N	646.578	7.176	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(C)c2)c(Br)c1	1529546138	CZQQDGPFIDHULE-MWKDUONYSA-N	686.028	5.875	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	1529547654	NNNSOGIYMRYJES-XINRNAFCSA-N	889.348	6.122	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	1529548180	YPAFPXXAXFYPPY-XINRNAFCSA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccccc1Cl	1529548640	KOHJBAUNPZMQBH-AYSITGFNSA-N	797.897	6.171	50	40	KKGB	
COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2cc(Br)ccc2OCc2ccccc2)C(C#N)=C(N)O3)c1	987182	OXXKDNQAZFUWKI-DEOSSOPVSA-N	559.420	5.654	50	40	KKGB	
Clc1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C3(CBr)OCCO3)c2c1	1725996	HIEPWVONEPWUNP-UHFFFAOYSA-N	508.026	7.110	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1OCc1c(F)cccc1Cl	1784525	KFKGMFQXESLBON-IIHBXENTSA-N	577.037	5.655	50	40	KKGB	
COc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)c(C)c3)C2=O)c1	2335120	UIRKWXYWSFDKLT-KVILUOORSA-N	518.038	6.030	50	40	KKGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	6601796	KZHYCRWQRUCWFB-CCVNUDIWSA-N	511.434	7.023	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1	12251098	VVNGTHLMCLKDJX-RUZDIDTESA-N	502.039	6.447	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1OC	12463367	BCULKRBSJWZNSE-QRVIBDJDSA-N	509.078	5.134	50	40	KKGB	
CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCCC)cc2)C1=O	16741527	YSMHBHWORXCBCI-ITYLOYPMSA-N	510.663	6.434	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccccc2C)cc1	58915463	JXLMVPMTKYQFSC-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccs1	58924804	JTDAILQVRFODPV-VULFUBBASA-N	515.966	5.156	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(N(CC)CC)cc3O)nnc2-c2ccccc2)cc1	97939477	HYVOTSMPVWTBRV-NDZAJKAJSA-N	544.681	5.127	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl	97962143	AGRQBNNNUVISSU-GZTJUZNOSA-N	540.929	6.715	50	40	KKGB	
N#C/C(=C\c1cn(CCOc2ccc(Br)cc2)c2ccccc12)c1nnc(NC(=O)c2ccccc2)s1	97967123	QBRLQFWIGPZPDQ-CAPFRKAQSA-N	570.472	6.651	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C(C#N)[C@H]1c1ccccc1C(F)(F)F	98000064	MQZAITNOPUVZRZ-RUZDIDTESA-N	555.578	5.705	50	40	KKGB	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)N1	98000164	ZKURYNRFFQLQEZ-LJAQVGFWSA-N	574.102	7.152	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccccc2)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12	98008049	KJBRTNRGJOJVJJ-UUWRZZSWSA-N	557.053	6.846	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2nc3ccccc3s2)N1	98048669	SBPGYJREVSLFAH-XMMPIXPASA-N	630.073	7.268	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(Br)cc1	100062877	ATTLUXQSLCXQRU-DICXZTSXSA-N	546.259	5.882	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1cccc(Cl)c1	100063312	TYKMNZABQXVKTD-UVHMKAGCSA-N	522.226	6.036	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3C)c2C)Cc2ccccc2)cc1	100350213	LHHOLJKRUKRPLE-MZFJOGFUSA-N	558.704	5.061	50	40	KKGB	
CCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1	100879158	GBMKHXQNZHAFPP-RCCKNPSSSA-N	528.505	7.936	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1	100990882	NHVMQXFJXYMUIU-YDYXIROLSA-N	563.433	5.100	50	40	KKGB	
CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)[C@H](Cl)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1	102055926	YZVOEABPSWUZEH-HKBQPEDESA-N	630.222	9.152	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	102430784	NNXFYXBEKOYABQ-BUTHZZEHSA-N	563.293	7.365	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2Cl)N1	102808752	FWPIYKRTNAKYLF-AREMUKBSSA-N	583.928	7.353	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)c1	102858242	XOUIZBBXZYGPPF-PMERELPUSA-N	535.669	7.215	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)c1	102858245	XOUIZBBXZYGPPF-SSEXGKCCSA-N	535.669	7.215	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cc2cc(Br)ccc2o1	103879329	VWWPLCVPHPUCRH-KEIPNQJHSA-N	560.451	8.084	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc2ccccc12	103879986	JQKQBWKTHKGFJU-IBBHUPRXSA-N	608.286	7.463	50	40	KKGB	
CC[C@H](Cl)COP(=O)(OC[C@H](Cl)CC)[C@H](OP(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC)C(C)C	104161197	RBPKDLIVOWCFJP-SWTXZIHNSA-N	596.293	8.422	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	104166654	LTMONRGEWCBNLW-JJNGWGCYSA-N	514.839	9.699	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1Cl	105056833	GLJUKECPRKUXLH-LUOAPIJWSA-N	511.192	5.968	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC(=O)CBr)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C	119084795	KHVIWBCFNVESQF-SSINARFUSA-N	507.597	8.024	50	40	KKGB	
CCOC(=O)[C@H](CC(C)C)NC(=O)c1cc(Br)c(C(Br)Br)c2c1Nc1c(c(C)c3oc(=O)c(C)nc3c1C(=O)N[C@@H](CC(C)C)C(=O)OCC)O2	150383051	MYIYHVKPWUTACV-SFTDATJTSA-N	901.444	7.620	50	40	KKGB	
CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	150415270	VNGLZAQKXPQCPS-KMDFBNFPSA-N	663.579	8.683	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@@H]3C2=O)cc1)c1ccc2ccccc2c1	169619022	YXQXDSRMYRLXAT-MLCQCVOFSA-N	599.275	5.306	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)cc1	245241766	OJNMMFFBVGCZFD-VHMJVRCASA-N	524.746	5.552	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408536862	BLVZXVHUWRPAMB-MFKUBSTISA-N	647.953	8.213	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540011	LRYSSXYOEIMINB-DBSPGSINSA-N	595.095	7.822	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408542344	KXBFJUKLNHDRMS-IWIPYMOSSA-N	525.992	6.570	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(C#N)c1C	408547457	WZRZEVNWSRQWKO-GIJQJNRQSA-N	526.445	6.538	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553997	XYFXBKBAVRFSMF-LZYBPNLTSA-N	658.117	7.451	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408579378	GNIDSRQPUQRWIK-GIJQJNRQSA-N	637.699	7.106	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408599320	SOSRSXFSWVFONN-GIJQJNRQSA-N	575.315	8.267	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(Cl)c1OCc1ccccc1	408605442	KEVFUZICMSPZOP-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2-c2ccc(-c3ccccc3)cc2)cc1	408728060	ZMRASMFZRMUQBU-FADJLKOXSA-N	522.608	7.137	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408734115	DDCFYNKEPIXYDY-RCCKNPSSSA-N	529.021	7.353	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C\c1cocc1-c1cccc([N+](=O)[O-])c1	408738318	RNADZMMENWYSHV-MTSMNVCVSA-N	524.577	5.278	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)ccc1I	408748035	XHMMQHYBOOCUOZ-RPPGKUMJSA-N	691.101	6.010	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408748055	XSUVZXIDIWDWKR-YSMPRRRNSA-N	554.532	7.870	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408748871	CJYXIDMHKDCLMO-ATZGPIRCSA-N	569.872	6.621	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1cccc2ccccc12	408759189	ZJZNMOJDYOPVAY-MTJSOVHGSA-N	547.836	7.389	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408779330	VEKVZUJNCODWNT-RZNTYIFUSA-N	502.623	6.420	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Br)cc1	408788595	LLVBIEBJVFWBSE-CIAFOILYSA-N	584.308	7.352	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1cccc(C)c1	408789438	JFFBHMVUGMGPGT-SRZZPIQSSA-N	539.857	7.243	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1	408792288	AGHZHZHAPRNWOH-HZHRSRAPSA-N	541.401	6.514	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I	408793047	CUZUGPJTZLQTRB-VZUCSPMQSA-N	517.548	5.261	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)cc1	408797226	QMYPXCYZTVGEGA-SRZZPIQSSA-N	546.377	5.241	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798792	XHCCEXAGQMBMAT-LICLKQGHSA-N	528.200	6.042	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2c(C)ccc3ccccc23)cc1	408807089	KFERRYVHAOXJAP-KOEQRZSOSA-N	520.585	6.458	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2cccc3ccccc23)c1	408808018	ISEBHJMAAWBXEW-ZTKZIYFRSA-N	540.619	7.552	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1cccc2ccccc12	408830259	PCVVNQQFVRSEBV-WPWMEQJKSA-N	700.960	8.810	50	40	KKGB	
C#CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408848974	XMIDPFXJYJOPNT-OKCVXOCRSA-N	575.488	6.409	50	40	KKGB	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)ccc1Br	408850422	NMBXXEARCVIMAN-RGVLZGJSSA-N	544.276	7.806	50	40	KKGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(C)(=O)=O)cc1	408858129	JVCSPCNIQSXJER-DXRBVMPTSA-N	624.941	5.004	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408858652	JXEAPMAVCHKYLL-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1	408859774	YWOCAEXRQJHLMD-UJEJHLKSSA-N	620.953	5.384	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1Cc1cccc(F)c1	408865569	BHTBVXFNEUGFCM-CAOOACKPSA-N	548.239	7.430	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408867276	KDRVCANHXBTYFW-NGJYBFBOSA-N	648.710	6.405	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)c(OC)c1	408868909	PWEOWFNFQNYQAR-VULFUBBASA-N	508.574	5.668	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1ccc(F)cc1	408871701	ZEHLVAYHIYKYSY-SRZZPIQSSA-N	616.427	5.649	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(C)cc2)cc1Br	408877603	STVQOTLMJCUJRP-KCSSXMTESA-N	667.538	5.599	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Br)cc1	408904441	JMGSFZWDWHAOFP-BCHBDCPOSA-N	572.755	5.798	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1	408913166	SXPRVXFMIDKHIR-KEIPNQJHSA-N	565.467	6.568	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)c(OC)c1	408949032	DQLSMAQZVGHXNM-HVJLQFNCSA-N	950.306	5.808	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1C#N	408953261	XGJHQRFWAQOQHR-MUUNZHRXSA-N	835.462	5.231	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1cccc(C(=O)O)c1	408959926	AOSYXAXDRVNPFZ-XODNFHPESA-N	537.912	5.434	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408964147	PJNTVUQSEUSKER-DQBQHLRUSA-N	602.902	5.313	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OC(C)C	408968718	BTPZWXOASNOXGI-AYISRESISA-N	572.489	5.434	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408970575	BSWJKFMPBSZKAS-IKUTULSBSA-N	572.489	5.436	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(Br)cc1	408984181	PXVOUMLKYHDTTM-NVMNQCDNSA-N	637.699	7.149	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1	408985150	VWQFPNZPIQPJEP-UUYOSTAYSA-N	657.733	8.293	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1	408989198	HESIKVYFOXGNDX-RIYZIHGNSA-N	507.509	5.080	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)OCc1ccccc1	408992099	QLSQEWUYPLJZMQ-UTAZFMOKSA-N	755.238	6.972	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)OCc1ccccc1	409001796	KMTWAJLTXXYDGS-HNNDCAHOSA-N	555.038	5.054	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409005183	DEIFZMHRTVYONS-LQNQUEJISA-N	603.763	7.733	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)COc3cccc4cccnc34)cc2I)c1	409018220	RIEWSFBPJQDPOD-FDVSRXAVSA-N	551.384	5.256	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409022615	CVTLIAOBNIMCDT-DBFSUHOCSA-N	570.827	5.947	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409038154	OQRKPDKSUAMZDK-VHFSBPNMSA-N	604.921	8.604	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12)c1nc2ccccc2[nH]1	409049840	YACIHOJESZELRC-UDWIEESQSA-N	559.261	7.884	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)c1nc2ccccc2o1	409070259	YNWKPHLNTMLPQV-XNTDXEJSSA-N	560.223	6.185	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1	409073609	QNOSRZGUMKWMNG-QGOAFFKASA-N	652.894	6.055	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(F)cc1	409089252	ZGIWFILYBXSROV-NTEUORMPSA-N	527.262	5.743	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1	409151861	CMFNNRCCNNDBQT-XKJRVUDJSA-N	699.727	5.130	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1	409163990	AYECSFDMBNINCM-IBBHUPRXSA-N	591.879	5.932	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1	409169312	PITGSOROVWQVCB-VTNSRFBWSA-N	672.520	5.202	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccc(Cl)cc1	409184513	GXGCFINKDXWJGY-KBKYJPHKSA-N	549.878	5.339	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(F)cc2)cc1	409184760	MYRDJZWJDAOEQD-KBVAKVRCSA-N	597.510	5.650	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1	409187407	QBSHNTNOMMLNLP-OKCVXOCRSA-N	581.308	6.962	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	409206598	XUPLBHGETLYQFB-LUOAPIJWSA-N	605.712	7.073	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]23)c1	409224091	KGMOBHQAIRSNRQ-JIXMVBFRSA-N	576.052	5.624	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC	409227700	VAQBOJNEUFULMV-UVIRTLPLSA-N	624.606	5.256	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409241267	SPCQUVWULKHSDR-MFOYZWKCSA-N	593.299	6.343	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1	409267542	NMCPHNUZGLTLIT-ZSNODQNZSA-N	510.421	5.638	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409303905	OVSXOJTTYLFOKC-CPDSRJINSA-N	551.905	6.621	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1cccc(F)c1	409309374	GHRZAFOLVGZTPI-MUXKCCDJSA-N	531.378	5.347	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)ccc1OCc1ccccc1	409316896	NADALPXSUHGXDM-DLCNMLRHSA-N	593.463	7.012	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)ccc1OCc1ccccc1	409317943	SFPRTUDFUQTLGP-DXJNIWACSA-N	509.562	5.056	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409325454	YUBOJTVXIARONK-VQTJNVASSA-N	636.863	6.174	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409360821	FYBXEFAVFDUFIB-KKMKTNMSSA-N	594.793	5.003	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1ccccc1F	409372669	GFFAZPCLTYFBPX-WCMJOSRZSA-N	598.412	6.334	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409395278	LWZVEBWVYUOPMF-UHFFFAOYSA-N	723.805	8.342	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)cc1	409395848	SKMGSFQGCRZYLO-UHFFFAOYSA-N	566.455	7.197	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)cc1OCC	409396904	CTXQHCMKPHCROB-UHFFFAOYSA-N	582.056	7.269	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc(Br)cc1	409398126	QVDVLYYJZZZXEM-UHFFFAOYSA-N	664.297	7.185	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)Nc1ccc(F)cc1	409400386	CQSVEJKVIFOPGC-CVUIAOGPSA-N	738.010	8.001	50	40	KKGB	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@H](O)[C@]1(O)CCC[C@]2(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]12	503984167	XDBLYTWRNMYVCA-JSYOZJGVSA-N	544.937	8.836	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	1570001676	FYIGZTWCDLZWHA-LTYBZFAESA-N	500.840	8.465	50	40	KKGB	
N#CC(=C1C([C@H](C#N)c2c(F)c(F)c(C#N)c(F)c2F)=C1[C@@H](C#N)c1c(F)c(F)c(C#N)c(F)c1F)c1c(F)c(F)c(C#N)c(F)c1F	2362803270	WDNFWNVBLFHPPN-OCAPTIKFSA-N	674.364	7.173	50	40	KKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	1769408	WWQFSRDJRJTWEZ-XMHGGMMESA-N	513.531	6.306	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)ccc1Oc1nc(Cl)ncc1F	1875857	NIQPAPKUNHOJQB-MWRNPHMMSA-N	588.615	5.455	50	40	KKGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1	2206570	VJJLRZIUDOUWSF-LGJNPRDNSA-N	540.692	5.252	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc4ccccc34)N=C3CCCC(O)=C32)ccc1O	2329488	KDDCEYAKAJTZFV-HHHXNRCGSA-N	511.603	6.195	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	3143617	BAIVIVHNXVZYBU-UVHMKAGCSA-N	532.336	5.049	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccc([N+](=O)[O-])cn1	3217506	KUYXLVLJOWMWQW-KCSSXMTESA-N	566.415	6.641	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(Br)cc3)C3=C2CCCC3=O)sc2c1CCCC2	3666733	TTWBNZKZCUXNPR-QFIPXVFZSA-N	552.494	5.871	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1Cl)N2	6074205	XMQITQVBHLNMNB-UXXDJHJKSA-N	547.891	8.143	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12	8455933	BDJBJOYPVKHGOO-RWPZCVJISA-N	520.383	5.454	50	40	KKGB	
N#C/C(=C/c1cccn1-c1ncc(C(F)(F)F)cc1Cl)c1ccc(C(=O)c2ccc(F)cc2)s1	8925806	POPJDPLLIRLDGF-GDNBJRDFSA-N	501.892	7.040	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)NNC(=S)Nc1ccccc1	11024884	UVFLTPJNPGEFGD-UHFFFAOYSA-N	539.060	6.619	50	40	KKGB	
CCCCCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br	12137085	KALHDTKDGPYRMR-SFHVURJKSA-N	513.432	5.790	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	14134542	QUEJNQRLVWLQPI-RPPGKUMJSA-N	501.764	5.103	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1ccccc1OCCOc1cccc2cccc(OCCOc3ccccc3P(=O)(c3ccccc3)c3ccccc3)c12	95100909	HMDFZBAEPVXJAE-UHFFFAOYSA-N	800.828	9.034	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2nc3ccccc3s2)N1	96934303	ZRNWIADKMMDCIO-XMMPIXPASA-N	584.708	6.206	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1OC	97949564	HBVNRPBZZGZIHY-QHCPKHFHSA-N	530.631	5.108	50	40	KKGB	
O=C(c1ccc(Br)cc1)[C@](Br)(/C(O)=N/[C@@H](Cl)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97982983	MAXQFUVRYLFHQO-IXCJQBJRSA-O	748.086	8.609	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1	98048435	DTOCOHCPMGMPSX-DEOSSOPVSA-N	532.463	6.248	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)Nc1cccc(Cl)c1	100405873	DMYXDBFASGJTCE-PNQUVVCRSA-N	553.324	5.119	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1cc(Br)ccc1O	100858319	VKGYFMSPCCTLQB-PPDIBHTLSA-N	577.291	5.952	50	40	KKGB	
CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1	100990815	HWZSVZPFZOZJGN-BAOGPQIGSA-N	526.239	5.745	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1nn(Cc2ccc(Cl)cc2)cc1Br	101666331	FDBKQPVHQHUULK-VFLNYLIXSA-N	602.714	6.453	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1	102488582	PRFRMGGPQMGJBM-XMMPIXPASA-N	507.999	6.018	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)ccc3N[C@H]2c2cccc(Br)c2)[C@@H]1Cl	102682803	KUAAYTYBXYXPSK-QNBQWMASSA-N	550.305	8.049	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1F	102719451	MHJXYYZWVGLFIK-NDEPHWFRSA-N	542.636	5.849	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	103692114	UBWVOBKSRHKLKS-NVMNQCDNSA-N	536.196	7.250	50	40	KKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc21	208250248	QWCDOSUFSPXDED-IVWJEFBKSA-N	543.687	6.057	50	40	KKGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	226691423	YFWOQBGFDUWONH-FMNSIDOPSA-N	564.085	5.819	50	40	KKGB	
CCCCC[C@H](/C=C/[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](N(C)C)[C@]1(C/C=C/CCCC#N)S(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C	263594122	CAXWFSZJMZNJRT-FLYKGEJSSA-N	731.249	10.707	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408529146	IKGAJNWWPPSCSX-KVSWJAHQSA-N	610.144	6.424	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408541208	FGHVDGKMIGEWQU-IDUWFGFVSA-N	623.230	6.429	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552952	STOAHDMNWQUGRQ-VWDPFFEDSA-N	666.221	6.407	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408553008	UEEWIMXPFOPLSP-MKMNVTDBSA-N	692.113	8.100	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408566753	BBGVRNIBPSFHNV-UXHLAJHPSA-N	514.672	6.427	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408608686	IFMRSJNNYSNVMY-FJEPWZHXSA-N	514.409	5.046	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	408643534	GCVVSBZDDGJQQJ-WFXMLNOXSA-N	539.818	5.545	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1cccc(C(=O)OC(C)C)c1	408712105	ZPYFDVGEFYELOX-VULFUBBASA-N	529.378	5.028	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccc(Br)cc1	408719077	IJPVBCRSZNAVMS-UYKHCAHWSA-N	576.450	5.416	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(I)cc1	408741033	GNTMIPYQAYZJPB-WQRHYEAKSA-N	589.227	6.187	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(I)cc1	408745923	AWHLMOUESNUNAD-YVLHZVERSA-N	623.672	6.840	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)cc1	408746664	VDSSZMYFGUCXGA-WQRHYEAKSA-N	511.347	5.730	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408748926	CSKAQLSBHQJHDS-RHKOWXKBSA-N	554.650	5.931	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccccc1	408752206	GMNZMCHEZPWDFZ-ALQBTCKLSA-N	595.578	7.420	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408752629	FPPQJCYZGUVIHB-YBEGLDIGSA-N	562.387	5.614	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408755110	MMMFGMDJBTZBDR-UNOMPAQXSA-N	548.386	7.042	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(Br)cc1	408758997	WGLYTMCVBFNOFJ-NDENLUEZSA-N	631.162	7.827	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1cccc(Br)c1	408760140	SGSKQBPDCCYURV-SOFYXZRVSA-N	590.655	6.718	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408761649	AINLOIHKNVHUIR-MOSHPQCFSA-N	523.397	6.460	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408775597	QLUGQDYLELGPLC-JCMHNJIXSA-N	615.355	6.989	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408791628	ZVCYDRDCANRKLZ-FRKPEAEDSA-N	625.100	7.341	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408791670	ANCUTXCNMZAYAO-YBFXNURJSA-N	632.252	6.649	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1	408794243	RPLHZTQVJWNSKO-KEBDBYFISA-N	645.238	6.201	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)c1C	408794270	ISDCHZOPBGGJTN-UFFVCSGVSA-N	565.265	6.825	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(I)c2)c1C	408797468	SADKUUPKRKPOGT-FYJGNVAPSA-N	508.359	6.033	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1	408800275	LLLXYRQHRDOFRV-VYVDHXHBSA-N	540.255	6.575	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Br	408805316	GECXVDSMKLMXOO-KGENOOAVSA-N	576.288	7.798	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408815539	JTAVQKXXWZCIDY-HNSNBQBZSA-N	533.455	7.253	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccccc1F	408816225	KXTULPRCZXASTM-MTJSOVHGSA-N	535.800	7.519	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408833383	JRQHAAVXSAKBGA-XIEYBQDHSA-N	539.429	7.153	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408836816	VXNCRDQCDPAXHA-KCSSXMTESA-N	596.105	5.343	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408858417	SCBGHMWTYCLAOI-KKMKTNMSSA-N	523.214	5.893	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C	408859947	VZRBUXCTXOUAOB-ROTLSHHCSA-N	511.332	5.284	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408860064	XRSMVMVUDXEUGC-OCKHKDLRSA-N	742.182	7.529	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c2ccc(C)cc2)cc1Br	408860270	XPTJJYMQZNYZJV-XJECJHNESA-N	765.908	7.115	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408872117	KTSAHGOZWCVFKW-ATZGPIRCSA-N	677.404	6.689	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OS(=O)(=O)c1ccccc1	408894708	ISXUAOCMIXQGDD-LFIBNONCSA-N	643.286	6.310	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2Br)cc1	408925153	QEVWPJJUEQLCNU-JVWAILMASA-N	539.407	5.143	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc2ccccc2c1	408966096	JWMPCIHJZYQHRL-IBBHUPRXSA-N	532.369	5.965	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2	408981723	WKTSPSZVSJYXQF-WSHOCQNKSA-N	549.700	5.918	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408989509	HYWURTSMPWSTOL-DFOCJDSFSA-N	694.751	6.484	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4ccc(C)c(Cl)c4)cc3[N+](=O)[O-])sc2c1	408992863	TYHHZTBGOHGPSE-LICLKQGHSA-N	551.049	7.262	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	409000601	ZFBURWLALJULMA-FDAWAROLSA-N	511.965	5.884	50	40	KKGB	
Cc1c(/C=N\NC(=O)COc2cccc3cccnc23)c2ccccc2n1Cc1ccc(Br)cc1	409015497	NLVPXSPQZZHPKW-ACXHZZMFSA-N	527.422	5.838	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c2ccccc2OC)cc1	409028743	RCYTWGCEGLYKFT-KEIPNQJHSA-N	621.115	5.345	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1F	409194679	QDIYXRAIPYMKAX-UVHMKAGCSA-N	552.771	5.825	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-]	409218754	KIGKXPMJTLJUBV-KEEZMOSUSA-N	529.292	5.193	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccc(OC)cc1	409219009	MGPLNWQZSMCFIK-UHFFFAOYSA-N	572.017	5.983	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccccc3Cl)cc2)cc1	409220292	WIOPLNJMNFPUIH-LJUMEUDFSA-N	556.962	5.792	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2Br)cc1	409221239	NDZCIRGEQCKJER-MAGMUUGSSA-N	518.411	5.559	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409223947	GSNIOEWBNPSAIK-PXNMLYILSA-N	617.192	7.741	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409234747	MCPYSPOVFHXVSP-IPBVOBEMSA-N	598.350	6.383	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c(Br)c1O	409235273	AYSRDDBBERUTGH-WDZFZDKYSA-N	534.126	5.880	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)c(C)c1	409256546	LXXUBMWBESGRJG-VCHYOVAHSA-N	528.823	6.827	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)c1	409258735	ZSBVOJNPLRDFKM-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	409262268	HGBKFRYBFDNBGQ-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C	409265042	MJFOFYQFWRWDMB-HAHDFKILSA-N	527.577	5.052	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409269985	NDOSZEQLYJSARM-ODFOOFNCSA-N	546.838	5.738	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)ccc1OCc1ccccc1	409272480	QOLPONWRVPDCCA-AEUUOICLSA-N	713.956	6.712	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)C[C@@H]1c1cccc(Br)c1	409318410	WKIBCTYCYGRPAC-CQSZACIVSA-N	510.335	5.178	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	409372828	KYYFLQIOXQOKBW-ZRGSRPPYSA-N	520.742	5.422	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409383759	FGMZIPMZEVITTN-APTWKGOFSA-N	638.356	6.576	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccco1	409396172	WWIUXFOGJVILSP-UHFFFAOYSA-N	720.599	8.352	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(OC)cc4c3-c3ccccc3)cc2OC)cc1	409398647	UZMRENKZRWVCOM-UHFFFAOYSA-N	549.583	5.844	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409401219	GWSBSQRVAKELQI-KMUKQRDJSA-N	621.650	6.264	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c([N+](=O)[O-])c3)o2)cc1	409404546	QFBATICSJVOUAE-OHUYPAJKSA-N	609.595	6.425	50	40	KKGB	
COc1cc(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)OC(C)C	1531386391	ADMWKGHIRDBNJR-BJUCDSOZSA-N	594.064	6.022	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1	935385	PQEDMIABRXLSED-SSXUBFHHSA-N	587.293	5.547	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccc(-c2ccccc2)cc1	1813751	LBIFRQVSBLISGT-ZCTHSVRISA-N	524.049	6.497	50	40	KKGB	
CCOc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1	2322515	KSNZDNXMLBNALV-FYAMCCBRSA-N	504.011	5.804	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(Br)cc3)Nc3c(Cl)cc(Cl)cc3[C@@H]2[C@@H]1Cl	8425362	CQXFVUIYAGMTLY-YMNDLRCVSA-N	584.750	8.703	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1	8427056	OAZNEOMZEZIWGF-BBUXEPKYSA-N	611.525	8.494	50	40	KKGB	
Cc1cc(=O)c(C(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)c(C)n1N(C)c1ncc(C(F)(F)F)cc1Cl	12953841	HZZOHCQXCWJRLY-UHFFFAOYSA-N	583.320	5.280	50	40	KKGB	
COc1cccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)c1	13596394	RRJIKFYUPUICOL-VEILYXNESA-N	506.031	5.537	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	20348678	UDGFPAYBONAUQJ-NDEPHWFRSA-N	526.637	6.149	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1cccc(Cl)c1	20760826	RMPHRRGWEYSKGW-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)c(NC(=O)c3ccc(Cl)cc3)s2)ccc1O	27017076	PWYNHOARIIFRAY-DEDYPNTBSA-N	501.995	6.803	50	40	KKGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1	28632447	AMPJRDZJNIVXOZ-JLUQKLKGSA-N	505.456	6.579	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	31829612	FTGPFWKPULBGFW-BASWHVEKSA-N	506.175	5.834	50	40	KKGB	
O=C(N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21)c1ccc(CSc2nc3ccccc3s2)cc1	37394253	BPJVNEIDZFSTHE-RHAXKZDQSA-N	521.667	7.247	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C(=O)OCCOC)c1C	59528016	IHCGKJWOHNBMIO-LGMDPLHJSA-N	557.650	5.154	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	59646836	GNIIOIFIDCNUFQ-IBBHUPRXSA-N	561.969	5.563	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1)S(=O)(=O)c1ccccc1	59646933	AOYGREWFPSNOGY-FABQOPTDSA-N	586.035	6.827	50	40	KKGB	
CC[C@H](C)c1ccc(OCCOc2c(I)cc(/C=N/NC(=O)c3ccncc3)cc2OC)cc1	97957913	BUQQPTVVGANSIR-OJPXDDBDSA-N	573.431	5.430	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1	97959755	OGBGNDWYYXLTHD-IPPBACCNSA-N	521.333	6.210	50	40	KKGB	
C/C(=N\NC(=O)CCCN1C(=O)N(c2ccc(Cl)cc2)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C)c1ccc(Br)cc1	97966469	SSQCBFHECSRNII-BXGLZXNUSA-N	690.426	7.347	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2OC)=C(C)N1	97986434	LVWRLWXLOODVET-AREMUKBSSA-N	565.051	5.657	50	40	KKGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br	98001653	NQMLFEHCAZKPLU-KKMKTNMSSA-N	625.111	6.031	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	98048676	WLPVRPTUYBGVNO-MUUNZHRXSA-N	576.505	6.881	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100130051	OISPPCWCVSKOSI-OHUYPAJKSA-N	617.986	6.438	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc(Br)c1OCc1cccc2ccccc12	100182338	CPLUOYRXOOBCAF-CTPHDRQGSA-N	521.455	6.466	50	40	KKGB	
Cc1c(OC(=O)CCl)ccc([C@@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(OC(=O)CCl)c(C)c2O3)c1O	100304847	BMWONWJISOEWFP-HLADLETHSA-N	561.502	6.977	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	101042456	MGQWRKRLIQFMQD-QHCPKHFHSA-N	576.900	5.360	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl	101273323	NCZKHTAWYUTKES-QHCPKHFHSA-N	548.879	6.444	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	101712318	UXJWSCODLYHFNJ-ZDLGFXPLSA-N	540.345	6.020	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Br)cc1	103755365	IZDICUWQXCPOAJ-MTJSOVHGSA-N	584.308	7.352	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)c(C(=O)OCC)c1C	108132585	KMXXUIVFUMWZRR-XQNSMLJCSA-N	585.653	7.000	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342131	SCAJTUWHAQLCFN-UWTATZPHSA-N	942.051	11.564	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1ccc(C(=O)O)cc1	408540959	ABICEDJCFAWYJK-FMCGGJTJSA-N	657.245	7.390	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccccc1Cl	408550505	HKPZGTLCDKEPLQ-CFRMEGHHSA-N	565.838	8.140	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(F)cc1	408579228	DYCSCNVWCGMRMO-VCHYOVAHSA-N	519.741	6.735	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)cc1	408582423	OBLYAEMERUKMRE-RGVLZGJSSA-N	513.229	7.172	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1	408602567	CRJNEIRTGOALJN-HSZRJFAPSA-N	502.983	5.685	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408637820	BESSZXYAIISSIO-OAHLLOKOSA-N	688.005	8.794	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408658486	VBCLFRFQAHDSFW-HLFFMGMJSA-N	627.499	6.609	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)ccc(Br)c1Cl	408683576	IJMWDZODUADGPA-YJEJQGFLSA-N	602.696	5.321	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(I)cc1)c1ccc(I)cc1	408712014	VSMMZBODSHTKBB-BRJLIKDPSA-N	616.624	5.892	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(I)c(O)c(I)c1	408736573	CWEKPQMYOJPOQF-ZHDAQUIUSA-N	681.312	5.024	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408746730	GHVLOCZRRNMVEN-OCKHKDLRSA-N	546.248	6.567	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1	408747998	WUXWAVDEXFWDDP-UZWMFBFFSA-N	559.460	5.813	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408759765	LDTZIQZNQHHLRS-YBEGLDIGSA-N	606.838	5.723	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OCc1cccc2ccccc12	408764091	IIYFJFMLQFLLCV-ZDSNLTSISA-N	573.715	5.579	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(I)c2)c1	408782273	GOQDBWWQWLPGEO-JAIQZWGSSA-N	664.281	6.808	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1cccc(C)c1	408794408	JAGMTGRJVMGUQJ-WPWMEQJKSA-N	597.509	7.860	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1	408795874	NKTZKCPSTIUWJJ-LICLKQGHSA-N	549.195	6.723	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1	408796033	OBKYUWMPRPAUTN-YBFXNURJSA-N	558.245	7.038	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(I)cc1	408796204	ONFAOFSZBYPOES-LZYBPNLTSA-N	613.666	7.385	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)ccc3ccccc23)c(Cl)c1	408808593	JPDMPQUFTDNVQH-LPYMAVHISA-N	501.413	7.888	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408813931	FCYHZKOTOOYJBQ-UCQKPKSFSA-N	551.868	6.642	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4)cc3)cc2Br)cc1C	408830453	OIHJMYLAFCSDQL-WGOQTCKBSA-N	601.928	8.423	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)cc2)cc1	408833025	YTAOVGUDFOBSQN-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OC	408834201	UQBNJCKXGNGJMA-WOJGMQOQSA-N	574.802	6.086	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1	408845345	WCQSCAMSZKELRN-JJKQSNDFSA-N	670.882	7.435	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408857355	MDPFVAHJPKYLIU-WBIBEUCMSA-N	633.373	8.865	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	408862533	ZZFLRKIFWDDWJO-OGLMXYFKSA-N	534.465	5.518	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1	408864417	ZZRFXZZAPYDANY-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1Cc1cccc(F)c1	408868486	PAPFRPVHVVBBMF-CAOOACKPSA-N	503.788	7.321	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cc(Br)ccc1O	408875958	IEQWIRMMNXOEKJ-GATIEOLUSA-N	538.623	5.914	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1	408887042	LNTLUBQKVIRUKQ-MZJWZYIUSA-N	564.807	5.451	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Br)cc1	408887590	PDQPCMKMNKCOCM-XDHOZWIPSA-N	570.237	6.123	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408889784	JCXHFSDHNVYTJK-RPPGKUMJSA-N	552.650	5.973	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c1OCc1ccc(Cl)c(Cl)c1	408892190	XRQRJYRENAWASA-KKMKTNMSSA-N	516.406	5.965	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925144	QDJKJNGZMJBGOV-KKMKTNMSSA-N	570.838	5.145	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(C)c2)c(I)c1	408954388	ZCUGUEWNUNQRCR-MUUNZHRXSA-N	824.479	5.668	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)c(OC)c1	408955758	PEXKNKGEXJLHSD-UIGQDENISA-N	762.985	5.261	50	40	KKGB	
Cc1nn(-c2ccccc2)c(O)c1/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(F)(F)F	408957631	VHNQDMGEAZEWBK-OFBRZPMESA-N	501.292	5.043	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Br)cc1	408995156	AETPELXKWWHMIS-HNSNBQBZSA-N	600.469	6.392	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1	408998583	BJOOENRIQAZWGJ-FMFFXOCNSA-N	535.600	5.938	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)Cc2ccc(Br)cc2)cc1	409014137	PBEAWUDBNCBOKD-STBIYBPSSA-N	556.526	5.396	50	40	KKGB	
O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1cc2cc(Br)cc(I)c2o1	409014870	QLKYITHWYOBDCH-LIMNOBDPSA-N	587.009	5.808	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409018738	YWNWULWSRVRWTD-NUGSKGIGSA-N	622.051	5.734	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1	409019316	WJAWQLQZCDIXDC-DPOQUSKESA-N	643.568	5.858	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409038835	VWRDKSYWUHNKBM-LQKURTRISA-N	535.467	6.869	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1cccc(C)c1	409039738	DFQJRHYNHUOJLO-UNOMPAQXSA-N	509.484	5.586	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409043439	MGRHMQKRNLKBAR-GLJXUZQSSA-N	610.541	8.679	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)Cc2c(Cl)cccc2Cl)cc1	409056463	GTADPZQGJFCSQQ-KVSWJAHQSA-N	559.302	5.950	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1	409066529	LMALEMZBAUOIIT-NTEUORMPSA-N	504.782	6.355	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409076868	CPRSWEFWDAHEGB-OVCLIPMQSA-N	634.770	6.498	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409077770	GBNVNXAHAJLPEZ-OVCLIPMQSA-N	541.270	6.039	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1Cl	409123207	AGPBOCJTVPSQPV-IPPBACCNSA-N	568.454	5.027	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409128335	DOIYKGQBAKIUBW-QHCPKHFHSA-N	562.247	6.657	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccc(C)cc2)C2=C1CC(C)(C)CC2=O	409137104	ZZEVZDXTPFSMNU-SANMLTNESA-N	550.497	5.719	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2cccc(Cl)c2)cc1	409137372	WCZVSHOUDXUYCY-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)[C@H](O)c1ccccc1	409144174	XMVYWHJTJRLBKE-OEZFMZHGSA-N	577.640	5.226	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OCC)c2)cc1	409162854	IRWZITXMQVKIRA-ATZGPIRCSA-N	637.531	5.444	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)cc2c1	409187190	NEAPQQHECLPKOP-NUJZUDFISA-N	522.941	5.535	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	409219578	OGQKZKNQXRTFCV-NCAUGAEKSA-N	516.595	6.937	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1cccc(C)c1C	409255655	IGYAHEBPLGNNQF-CLHYIUPASA-N	633.774	7.659	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	409264373	FIGGHOIXDWWSQY-LICLKQGHSA-N	585.252	5.789	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409313113	BMOUXLJACTVKFZ-OHUYPAJKSA-N	545.035	6.588	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1OC	409316756	MFGWWYVHYYCUNE-GATIEOLUSA-N	624.198	5.601	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1OC	409320591	BPIFIDRRJNYCMN-NUJZUDFISA-N	620.294	6.050	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=C1CCN(Cc2ccccc2)CC1	409327103	HZEQSENBZRVIOG-UHFFFAOYSA-N	579.044	5.322	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OC	409332007	JDMCLHOIZYOUMH-MUXKCCDJSA-N	516.381	5.182	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(I)c1OCc1ccc(Cl)cc1Cl	409360816	FYBAHNNNJJWYPI-CPDSRJINSA-N	641.289	6.040	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)cc(OCC)c1OCc1ccccc1Cl	409373525	WXPFNYJJVIEBPH-LQNQUEJISA-N	506.002	5.769	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386732	RRWLFNLTLNAVAI-LUOAPIJWSA-N	579.259	7.222	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OCC	409393662	YWEOYQDYRHVKHP-DHDCSXOGSA-N	501.324	5.204	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409394972	IHIFVHMTINLSPE-UHFFFAOYSA-N	760.664	8.768	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)c1	409395920	TZVFXSHHQLZUQG-UHFFFAOYSA-N	595.497	6.955	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccccc1	409396491	YSFRIDINOPJANP-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Cl)cc1	409399880	ACIZPWNOCMMCOU-WBIBEUCMSA-N	611.098	7.009	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3cccc([N+](=O)[O-])c3)o2)cc1	409403572	NKNUEUHAILMSCK-DLCNMLRHSA-N	644.040	7.079	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1	1529546781	HNHUDADJRZFFFX-DMFIQNIRSA-N	702.027	5.575	50	40	KKGB	
C[C@H](N[S@](=O)C(C)(C)C)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C	1857795032	HUPHIJGZTJYATN-NKAOBMQUSA-N	541.697	6.989	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)N=C3CCCC(O)=C32)ccc1OCc1ccccc1	1283074	SYFWADLDEBHALC-HKBQPEDESA-N	565.695	7.224	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(Cl)c(Cl)c1	2128498	ZBUAIHKKIRPCFF-RUZDIDTESA-N	511.361	5.918	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1	2324590	RJDMMKWKUGAPRX-UTDQILSNSA-N	512.393	6.197	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1	8452651	QMODHQZYQBUZHT-JJKQSNDFSA-N	668.410	5.042	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1	9076613	SUMJBPQIHRSRKQ-VUTHCHCSSA-N	504.704	5.847	50	40	KKGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1O)C1c2ccccc2Oc2ccccc21	9948673	IUVOWVYSQPYYNQ-MYKKPKGFSA-N	502.162	5.305	50	40	KKGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	12251100	RWIBYHFIIIASTA-XMMPIXPASA-N	506.002	6.278	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@@H]1c1ccc(OCC)cc1	20130282	HWHLDFDCCLZCIG-MHZLTWQESA-N	517.651	5.499	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)sc2c1	27024585	CDWGZMFQOMQQLX-CCVNUDIWSA-N	515.982	6.388	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	30721811	VHWSLWWZQZGZCV-VYYCAZPPSA-N	512.422	5.492	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C(=O)O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	30742582	PXJMAMBMWXLEJG-LQNQUEJISA-N	527.650	5.481	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c2cc(Cl)ccc2OC)cc1OC	59211873	DZRRRPQLQMLSKQ-DPNNOFEESA-N	625.147	5.427	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)/C(=C/c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)cc2)cc1	97964226	PMXCKCPWIVRSAE-ZHDNFZQYSA-N	588.664	5.301	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	97964244	ANKMUMPJIKVNBD-SYRKAPPRSA-N	590.680	5.600	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)NCc1ccc2c(c1)OCO2	97965812	UFTASPHBORTCHQ-VXLYETTFSA-N	525.786	5.634	50	40	KKGB	
N#C/C(=C\c1cn(CCOc2ccccc2Cl)c2ccccc12)c1nnc(NC(=O)c2ccccc2)s1	97966908	QSGODHPKNSXYCD-CAPFRKAQSA-N	526.021	6.542	50	40	KKGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1sc2ccccc2c1Cl	97981053	JOIHIQZXRNYILD-AMVVHIIESA-N	516.928	6.798	50	40	KKGB	
O=S(=O)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(OC[C@@H](Br)CBr)c(Br)c1	97982960	UWDGIABNUNARHY-ZETCQYMHSA-N	765.732	6.812	50	40	KKGB	
CN1C(=O)[C@]2(C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CCC3)c2ccccc21	98007210	FRUFGKWSRANKEJ-MHZLTWQESA-N	594.644	5.285	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1)S(=O)(=O)c1ccccc1	100119677	VJCUKJCIZKNLRJ-HPNXWYHWSA-N	611.167	7.215	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126228	KWPJJEJRAUVAJX-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100127059	GABZWVIJFMRFAG-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c(C)c1	100967946	WIKZUQDOTRCLJH-XYZDCVNTSA-N	522.457	6.675	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2OC)=C(C#N)[C@H]1c1ccccc1Cl	101042296	MOHQLMPHVJJONN-AREMUKBSSA-N	560.075	6.117	50	40	KKGB	
CCc1sc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2cc([N+](=O)[O-])c(CC)s2)cc1[N+](=O)[O-]	101656693	SEERXUMQXZGDAI-RYQLWAFASA-N	564.690	5.472	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)c1	101720375	FJGXOGJKNXGTFG-UDWIEESQSA-N	554.384	5.823	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])N1	102917418	OLRFTTWOKZCLND-SANMLTNESA-N	543.580	5.440	50	40	KKGB	
CCCCCN1C(=O)/C(=N\NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)c2ccccc21	102979048	SZPZBDGIRWUUFD-OVXWJCGASA-N	552.656	5.220	50	40	KKGB	
COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc21	103597886	GNPQUIKKVFFHKK-PSORJPDMSA-N	576.052	5.244	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](C)Sc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699492	IBTKBOPDEZFUMB-ABOPDWFASA-N	560.119	6.974	50	40	KKGB	
C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)N/N=C/c1cc(Br)ccc1O	104822491	GYCHRARNSBELSA-SUZBBLJPSA-N	524.198	6.171	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	105159818	SXSWADYAAARHTL-MFOYZWKCSA-N	550.667	7.842	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c(C#N)c1C	107932551	ZZLKABXYLSHKEH-DJKKODMXSA-N	539.440	6.709	50	40	KKGB	
CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341529	KDNAFMKMUXWOIX-GFCCVEGCSA-N	714.282	10.720	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342049	BFFQHCGJBKAZKF-UWTATZPHSA-N	742.023	9.022	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@H]2C[C@@H]([C@@H]3C(c4ccc(Cl)cc4)=NO[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	250540989	TVEXPMZTLXPLLA-MLBAWHDCSA-N	648.079	7.474	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408542590	MKYLHCHVZMYZQW-MTJSOVHGSA-N	535.394	5.936	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1	408550030	ASGLQDIQQVXRHE-LPEPFOFCSA-N	664.181	7.382	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1C	408604948	JGDZUJOIDKJTKX-GOSISDBHSA-N	532.855	6.339	50	40	KKGB	
O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)O[C@H](CCCl)C(=O)c1ccc(Cl)cc1	408649702	DWWMQVSTADNUGF-DEVHZPBQSA-N	631.339	6.047	50	40	KKGB	
COc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@H](Br)c2cccc([N+](=O)[O-])c2)cc1OC	408668176	CTDBYSBZQCFGMQ-GGAORHGYSA-N	514.328	5.157	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408671945	UOJJPVLYOKLNDP-ATUYUNQRSA-N	638.740	5.033	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408689777	ZAZZZOKOCCPHMS-XVMGYKCHSA-N	601.122	5.329	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1)c1cccc([N+](=O)[O-])c1	408721721	XRWDWPQXQPMQKR-NJZRLIGZSA-N	577.062	6.106	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1	408743589	GYQKPKLHLZBMBP-ODLFYWEKSA-N	521.367	5.701	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	408744522	LUFOGOGSURFDFJ-YBEGLDIGSA-N	583.351	6.011	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(Br)c1	408750418	MQORQDONLFIRIK-MIXAMLLLSA-N	502.412	5.243	50	40	KKGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I	408753631	JXSYNPTZGIHFQJ-WZUFQYTHSA-N	561.999	5.370	50	40	KKGB	
N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408773658	WGULTPWIKKIYRL-LGMDPLHJSA-N	526.876	7.939	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I	408789347	PAZFAYLGAKEWBH-VGOFMYFVSA-N	602.597	5.415	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I	408796947	QLEKOQKFRLHUAE-NTUHNPAUSA-N	590.586	5.660	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408821708	AISDJYMVVZCDBK-CJLVFECKSA-N	531.439	8.060	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1	408830851	OQAQURXCXUYEHI-UHFFFAOYSA-N	547.721	6.413	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c2ccccc2)cc1	408831743	PFBPBTYSKJRBPI-KVAAJVFYSA-N	707.430	6.698	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)cc(Br)c1O	408840733	FHHPBAUTQGOMHT-ZNLRHDTNSA-N	533.757	5.720	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840955	DWFBQUYGUICGOJ-PTEHHBOZSA-N	731.297	9.728	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4O)cc3)cs2)cc1	408841663	GKZNMNNXDOKPJO-LGJNPRDNSA-N	507.413	6.094	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)cc1	408842185	NMMVGBPRSDVACC-VWJSQJICSA-N	569.609	6.183	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1	408846430	NJEOQMVGIDOMTG-UCQKPKSFSA-N	514.423	6.084	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408855552	NXSGDEGQVYQRHT-STZFKDTASA-N	598.483	6.971	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408856655	IAPJGPUHOPKSDD-HNSNBQBZSA-N	636.568	5.999	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408863432	OJSADACAOAHSOT-MHDJOFBISA-N	678.392	6.084	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1cccc2ccccc12	408881300	MOARPILBHKJIFS-CIAFOILYSA-N	685.210	8.569	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1	408884159	SWJSJIRNHGIZEL-YDZHTSKRSA-N	594.449	6.230	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3Cl)c2)c(Br)c1	408890326	RKIKVTNYDAHUDX-WOJGMQOQSA-N	560.673	7.298	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1	408896161	PPVFABWKVPEZDE-OQKWZONESA-N	526.570	5.248	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408944225	ITKIBRUVRQUXCU-NDEPHWFRSA-N	692.021	6.119	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCc2ccc(Br)cc2)c(OC)c1	408948030	BSHYCGWLBWOUEB-OEISHWKDSA-N	807.436	5.370	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccccc1	408962951	LJTHNGGUZYAIRM-MZJWZYIUSA-N	538.354	5.845	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccccc1Cl	408963387	BLRBXSBJJBMBGE-PPDIBHTLSA-N	558.772	6.108	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(I)cc1	408965619	WKYRARLZSDJQBF-XKJRVUDJSA-N	588.751	6.315	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cccc(C(F)(F)F)c1	408966312	ZNLUKPLNSOIWIK-WXMAUWIXSA-N	580.615	7.771	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)o2)cc1	408993124	UQROKSUUDYJLQV-NBVRZTHBSA-N	562.632	6.695	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	408995384	CAVKAHYKEWZCLG-IZYHBKOJSA-N	722.545	5.736	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)ccc1OC(=O)c1cccc(C)c1	408997533	MXQJDOWEFUEVBX-JMPGKORSSA-N	547.611	6.029	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OCC)c1	409001080	GOBTYZOMOTZFOX-KMVFSOCUSA-N	733.401	6.320	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409004809	DRZCLFDJBBJTMH-WKPLXQRQSA-N	654.635	6.449	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409015493	NLBWCYMAYOBLOJ-YNFMAFFXSA-N	588.817	6.168	50	40	KKGB	
Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3c(C)n(C(C)C)c4c(C)cccc34)c2c1	409047819	UZEFVBGBEOKJTO-FZPRHHONSA-N	509.053	7.780	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)Cc2cccc(C)c2)cc1	409068289	LDSHSQYLBDXASM-UZWMFBFFSA-N	541.673	5.224	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCc1ccccc1F	409071951	SYYFREMLTWLOJF-LFVJCYFKSA-N	514.553	5.864	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OS(=O)(=O)c1ccccc1	409075574	RZXLOPJOUINBEV-MHWRWJLKSA-N	594.814	5.267	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1)S(C)(=O)=O	409110187	TZEIJPDVDDUMNJ-BIZUNTBRSA-N	562.091	5.958	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	409175490	ZLQDTWISWGVIGS-PCFKYHQJSA-N	652.492	5.056	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(Cl)cc1	409190439	NHTAYXLSFNTYEG-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1C	409262144	FLZVBOYNTRKNQS-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409268390	SRMPABUKCXYXBG-XJECJHNESA-N	646.556	7.651	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl	409272873	TXCDNIGPJFTFJE-PXNMLYILSA-N	638.143	7.390	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccc(C)cc1	409318559	WPBUSUDBOGMUSX-FZKWRIDDSA-N	603.513	7.087	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccc4ccccc4c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409322909	LXPPFZOQDNHILJ-RPWUZVMVSA-N	507.011	5.563	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@H]1c1cccc(Br)c1	409323904	QBKOITDFMJBDFB-RTBURBONSA-N	602.816	5.231	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1OCC	409324850	VUZFITSEESZTHQ-MNBJERMJSA-N	502.998	6.634	50	40	KKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(Br)cc3C)=C2C#N)cc1	409331094	CMMYTAIBWSMUHJ-SFHVURJKSA-N	516.486	5.498	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccccc1	409334625	UPHBUNSMYHSFGH-LJUMEUDFSA-N	590.976	6.690	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(Br)cc(Br)c1OCc1ccccc1	409366097	SPCPYLNDDYKANP-VYYCAZPPSA-N	560.242	5.255	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2OC)cc1	409380151	JFWUZCHDCKVZQF-MWBNBJEGSA-N	642.137	7.006	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409386829	SKCVYEJDRNIEPH-IPBVOBEMSA-N	609.285	7.230	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccccc1Cl	409395614	PUOHDUOOOFXCJI-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)cc1OCC	409396230	XFEAOJOIZIKDOH-UHFFFAOYSA-N	753.875	9.102	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409397689	MVSAQLRVLJZWBR-UHFFFAOYSA-N	568.029	6.797	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409398132	RAKKPWZHJXNDAE-UHFFFAOYSA-N	562.840	7.778	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409398346	SQZXQLWVTONYLY-UHFFFAOYSA-N	646.483	7.067	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409398928	WOQUIRQLCWEBFZ-UHFFFAOYSA-N	598.055	6.887	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3ccc(Br)cc3)o2)cc1	409404335	PWPFQZVKFGRTSA-HQDYHJHZSA-N	643.494	7.280	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409406031	VTNAJUQLDQSWSJ-ZMGVVAQMSA-N	671.488	5.585	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1	1529547690	OCTCWBVRHCCAQC-RNQQFAKUSA-N	683.834	7.005	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccccc1C#N	1529548463	GYFUUGIILZYBHX-TXWDNMQDSA-N	697.011	5.438	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1	1529548679	LNVOFWGGUAEWBP-UUTVKSQHSA-N	716.452	5.676	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c[nH]c4ccccc34)n2-c2ccc(Cl)cc2)cc1	1830444	FQLVCWGGJMDHDS-WKULSOCRSA-N	501.015	5.620	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1OC	1830995	XXXDQPBTZNVDDP-FDAWAROLSA-N	543.693	5.800	50	40	KKGB	
C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1cccs1	2739958	IBFRSGXGFCQJMB-HJHSVFMCSA-N	512.664	5.725	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2-c2ccccc2)cc(Cl)c1O	2741322	XUSAZYBIXDKHDA-WGNGTQIVSA-N	571.490	5.531	50	40	KKGB	
CN(NC(=O)C(=O)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12)c1ncc(C(F)(F)F)cc1Cl	3048706	XVKLKRPGJBKOQX-UHFFFAOYSA-N	576.284	6.115	50	40	KKGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1	3115391	JGLVWJYWWXJAOD-HNSNBQBZSA-N	570.443	5.067	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(N2CCOCC2)cc1	4082082	WAMBUJHZQNBZOI-RCCKNPSSSA-N	505.416	5.239	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)NNC(=O)c3ccc(Cl)cc3)nnc2-c2ccc(NC(=O)c3ccccc3)cc2)cc1	6157236	FKUUJUJTGWXHEK-UHFFFAOYSA-N	613.099	5.402	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)ccc1OCc1ccc(F)cc1	12951410	JPMBAKLZOZGXPZ-MHDJOFBISA-N	553.417	7.063	50	40	KKGB	
CCOc1cc([C@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(I)c1OCC#N	97959973	DJIUNIKETXIJRI-FHJLPGHOSA-N	581.458	5.458	50	40	KKGB	
CCOC(=O)c1ccc(/N=N/c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1	97983174	SCNQRTICGRXZMJ-ULDVOPSXSA-N	529.600	7.773	50	40	KKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1	100133937	IGTBHGDOGSBNOG-RQXXSLPSSA-N	569.108	8.636	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292950	XUXLHHVKJZIUFW-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(C)cc2)cc1	100380151	YTYWIXFZWDKYMI-BIZUNTBRSA-N	574.772	6.087	50	40	KKGB	
O=C(Cl)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)Cl)cc4)C3=O)SC2=S)cc1	101016145	PBVSAVAHYCVQQB-BUHFOSPRSA-N	539.468	5.086	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)O)c(I)c2)cc1Cl	101717468	TWIOZOPXCXPSNF-QCDXTXTGSA-N	575.584	5.025	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	101905960	DCTNLRPKKDKVCF-JAIQZWGSSA-N	556.254	6.023	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528606	QIHCTJGBWSNCTL-GOSISDBHSA-N	598.416	10.520	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	103888292	VYVCWVDXGQAIBA-GRSHGNNSSA-N	607.275	7.430	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103889673	NOXNLHKYEGFJFE-YBEGLDIGSA-N	567.185	6.862	50	40	KKGB	
O=C(CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1)N/N=C\c1cc(/N=N\c2ccccc2Cl)ccc1O	104307033	FLWSLQDKSRAEOV-CEAFELPTSA-N	574.424	6.828	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1	112254269	YWIZEEOWLIPFBX-UAPQTLPUSA-N	610.497	5.898	50	40	KKGB	
FC(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342215	AKTACEZNQMVCGA-UWTATZPHSA-N	692.016	8.387	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)ccc1OCc1ccccc1	408538972	SFBOGPNSUDAOQQ-OJYCWLPVSA-N	577.706	7.439	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539205	FRYZIZUBWMLOFU-AEVGBRMKSA-N	657.483	7.797	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408540768	BOLYGYMIMPIEEE-IUXPMGMMSA-N	546.204	6.579	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551981	QJYDCHBKTIRJOG-GIJQJNRQSA-N	641.341	6.846	50	40	KKGB	
O=C(N/N=C/c1ccccc1I)c1cc2cc(Br)cc(Br)c2o1	408552428	UBHUXKJUPBRXLW-DNTJNYDQSA-N	547.972	5.326	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408553547	XGRVVQJCYNMDHT-BVMLUPFRSA-N	654.332	6.731	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1OCc1cccc2ccccc12	408567278	CTWXHIZKOPBEOM-XICOUIIWSA-N	598.790	7.554	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408677414	QLSJPJKIUGOFAA-WCMJOSRZSA-N	546.882	6.989	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1	408682288	KSYBQTWNKPQIIN-YEYGNOCGSA-N	566.677	5.183	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408687274	UAWSXLTUMDMAEE-MHORFTMASA-N	589.111	5.473	50	40	KKGB	
CCCC[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408687799	PJDJKVHBIGGZQR-LBPRGKRZSA-N	609.677	5.113	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)ccc1I	408747691	RPAGJDDKOFALBK-UVHMKAGCSA-N	527.337	5.206	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CN5CCOCC5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751383	JXXVJXWCBZDOFE-HLYIUJEPSA-N	536.676	5.508	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408755049	MGJJRICWOZRELT-OQLLNIDSSA-N	684.262	5.284	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1	408756812	XPMVQWVJWYAOBQ-QGOAFFKASA-N	527.396	5.080	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1	408775561	INVRGWOSSWWEEX-QOMWVZHYSA-N	508.578	5.158	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl	408787782	GFBDDHLTQLRNBF-YBFXNURJSA-N	511.361	5.670	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc2ccccc2c1	408792738	CFRMACCNSDPZRS-AFUMVMLFSA-N	541.445	7.352	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(O)cc1	408794514	JIJQSELXSWBCLC-VIZOYTHASA-N	644.090	7.191	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798647	WMXWEVKJXKPTOF-TURZUDJPSA-N	545.038	8.197	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1	408812727	NRWSOQSUWYWUKS-GKVNEZTPSA-N	557.097	8.181	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccccc1F	408820157	VQVSKWLEXQAMKD-MFOYZWKCSA-N	621.200	6.016	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408822646	BPNCJDMDPASQLS-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	408825800	JLUSTUWBXMRXPV-BUVRLJJBSA-N	696.823	8.967	50	40	KKGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	408839148	NUMOECCTJVSBHC-MUFRIFMGSA-N	501.011	6.291	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2I)c1	408840321	ANHGSIKLUTZWDZ-KVAAJVFYSA-N	678.983	8.463	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccco3)cc2)c1	408842386	JRGWRIWDCYTYOC-MUFRIFMGSA-N	546.377	5.586	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1	408846576	OEPHKMKAOPHTRJ-XKZIYDEJSA-N	534.443	6.718	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408847033	SGXGZEHQBCBIJI-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC	408847538	SRYZVICZIZARNK-OKCVXOCRSA-N	579.520	7.186	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)c2cc(C)cc(C)c2)cc1OC	408856065	ASLIPGLULDPCFU-JWHWKPFMSA-N	614.724	5.309	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c(OC)c1	408867038	JPRAHGCWWLQZSB-CNHKJKLMSA-N	749.170	7.022	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1c(C)ccc2ccccc12	408870538	VXXDCXDWSOBFHP-PCLIKHOPSA-N	525.048	7.887	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1Br	408871881	YRYIICVBQOZVGJ-PGGKNCGUSA-N	559.273	5.026	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OC(=O)c1ccccc1	408879471	DPWQJUXEAZRGJL-MHWRWJLKSA-N	593.204	6.371	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br	408883326	VBFRNWAJEBASGS-VZUCSPMQSA-N	529.572	5.718	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1	408884004	XMVJIYUBEBHSHO-LDADJPATSA-N	511.361	6.166	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccccc1Br	408887489	RAOMDMNXUQIDJO-FYJGNVAPSA-N	584.308	7.297	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(Br)cc1	408887622	PPBOOGLCTPNTDQ-MZJWZYIUSA-N	562.258	5.962	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1	408890726	YFLYIFSUPHYCPW-YDZHTSKRSA-N	518.997	6.267	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccc(C)cc1	408899268	OXYCQSKKSNJZQV-FYJGNVAPSA-N	584.308	7.352	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)c(OC)c1	408926616	YVQBCMQZUZBCKA-YZNMIGQISA-N	683.765	6.458	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2Br)cc1	408951810	MRLXJOIANUZALY-UCQKPKSFSA-N	514.423	6.084	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408972149	SUSXZZYPFGIBOE-SXMPYHCESA-N	566.496	5.397	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	409003213	RMHDJROAGJPZNL-VBMPCKAESA-N	672.374	6.088	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1	409005407	IKBLIMODJVCERC-XODNFHPESA-N	570.882	5.005	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	409018339	URECCSDMMQMBAE-CDBHFZMPSA-N	561.422	5.610	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409045844	IWENOJAHOGBMJO-DLCNMLRHSA-N	727.315	7.593	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(OCc2ccc(I)cc2)c1	409063041	FZSHLKSDTLWNOL-JVWAILMASA-N	572.403	5.389	50	40	KKGB	
Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Br)c1)C(C#N)=C(N)O2	409134078	VQBOVNMETVZXRE-LJQANCHMSA-N	506.187	5.585	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(CC)cc3)c(OCC)c2)cc1	409155198	PWPGYERBZUMSRH-KCSSXMTESA-N	625.520	5.305	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1	409163574	UIWJMJVGQXIVAB-AMVVHIIESA-N	662.335	5.034	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	409186172	YBGOYEHWVCPMSF-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409202058	OKVUHBGRUDYKBV-MFOYZWKCSA-N	642.618	7.101	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409219080	ITNGIWTVYIAVJY-WMDUOXDUSA-N	602.525	6.249	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2Cl)c1	409227737	VYIHICRSRUGICM-UHFFFAOYSA-N	700.727	7.009	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1ccccc1	409241421	NFRSPXGZJSJKIA-VBNMEBLOSA-N	621.700	7.070	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2C#N)c(I)c1)c1ccccc1	409244025	WMRAXOIJHXCNMP-QRAWFLTRSA-N	533.369	5.526	50	40	KKGB	
NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br	409263342	KLSIBLKTOXLBKF-ULPWCQAASA-N	629.334	5.707	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409268498	UQGOOVZYHYECSO-RGVLZGJSSA-N	536.382	6.064	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	409268659	XEJXSYPXEJIZKX-BRJLIKDPSA-N	563.202	5.471	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)ccc1OC	409303407	MRMJLCSCTOJZSI-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OC	409306255	ZFFNACYTVVXYQW-UHBFCERESA-N	575.887	6.642	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OC	409311761	HSTRMYQGCAHUNR-LJUMEUDFSA-N	552.027	5.402	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409365930	QEMRCKWPXSGFMZ-IPBVOBEMSA-N	769.013	6.562	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc2ccccc12	409371051	AEXABJNISKWFTA-QRVIBDJDSA-N	529.390	7.552	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409372292	VGMSHBZBVATCIA-GRSHGNNSSA-N	571.327	6.149	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(C#N)cc1	409372602	NBZHAFNUTJUJAR-FMCGGJTJSA-N	544.246	7.880	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cccc(F)c1	409390247	DSUGZLAFKTZBMO-NHDPSOOVSA-N	631.226	7.831	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409391234	IDZUZSJGJJFZFT-ZDLGFXPLSA-N	549.381	6.284	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409394650	DFXKATMYMRQNNI-UHFFFAOYSA-N	656.458	8.753	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395521	OQMHQGDPWMTBJJ-UHFFFAOYSA-N	573.392	7.033	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397804	OGDNNQNEISQEEY-UHFFFAOYSA-N	633.060	7.932	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3F)o2)cc1	409401099	GKACPUIVIDNQFC-AEUUOICLSA-N	625.613	6.095	50	40	KKGB	
Cc1ccccc1[C@@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)N(C)[S@](=O)C(C)(C)C	1857795167	QNTFTQVQWIVMLY-DJWJURESSA-N	631.822	8.668	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)nnc2-c2ccccc2)cc1	1774613	GYFSLSJLIIUUJH-OKCVXOCRSA-N	525.556	5.594	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3c(Cl)cccc3Cl)cc2)sc(C)c1C	1785566	RRKFGPDWFDTVNB-KTBDRLKFSA-N	562.475	6.018	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)nnc1-c1ccc(C)cc1	1828070	LIKGUHIFAHPPFW-STBIYBPSSA-N	515.639	5.103	50	40	KKGB	
Cc1cc(Br)c(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c(Br)c1	3145923	PNCBUHJFRBFENW-IPPBACCNSA-N	569.297	6.361	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)NN=C(c3ccccc3)c3ccccc3)nnc2-c2ccccc2)cc1C	3457120	TYUPOYDMEBXGJO-UHFFFAOYSA-N	517.658	6.212	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(F)cc1	9076023	WJEYYBTXKUYKKT-MUFRIFMGSA-N	506.628	5.098	50	40	KKGB	
Cc1ccc2cc(/C=N/NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)c(Cl)nc2c1	15974914	KEJJFNVGTQLPDV-QMBVZLLKSA-N	506.006	5.264	50	40	KKGB	
Cc1sc2[nH]c(SC[C@H](Sc3ccc([N+](=O)[O-])cc3)[C@H](Cl)c3ccccc3)nc(=O)c2c1C	16779211	FIWMBNMETYTHJG-AZUAARDMSA-N	518.085	6.743	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	19953434	LLZVPRBKALQCLD-CVKSISIWSA-N	510.830	5.383	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1cccc(Br)c1	59647029	HBMOLRGRWXDNFQ-QNKGDIEWSA-N	570.535	5.943	50	40	KKGB	
O=S(=O)(/N=C1\C(Cl)=C(Cl)/C(=N/S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cl)[C@H]1Cl)c1ccc(Cl)cc1	97957684	HTQGXAAIKZRHNG-KEZYUXCHSA-N	595.140	5.871	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1C	97959113	MIULKAAZEMVQPY-RGVLZGJSSA-N	568.367	5.431	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999671	KELUQJCZYBAZBU-YTTGMZPUSA-N	595.721	6.380	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3SC(N)=C(C#N)[C@H](/C=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@H]3C2=O)cc1	101003398	HUSONRRFIFIIQC-BBBFKMTLSA-N	536.440	6.190	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cc(Cl)ccc2OC)=C(C#N)[C@@H]1c1ccccc1Cl	101042265	DIINUTVSFXAWPW-SANMLTNESA-N	594.520	6.770	50	40	KKGB	
N#C/C(=C/c1ccc(I)cc1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1	102620505	GVLDRVJGNKPQCB-VBKFSLOCSA-N	573.868	7.446	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1OC	102933175	OLGPQTGHYMUBJI-JYRVWZFOSA-N	527.156	5.007	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)c1ccc(Br)cc1	103247440	USZHISJMWQZZGR-UZWMFBFFSA-N	585.531	6.428	50	40	KKGB	
O=S(=O)(/N=C1\C(Cl)=C(Cl)/C(=N/S(=O)(=O)c2ccc(Cl)cc2)[C@H](Cl)[C@@H]1Cl)c1ccc(Cl)cc1	103884079	HTQGXAAIKZRHNG-ASGIWRRFSA-N	595.140	5.871	50	40	KKGB	
CCOc1c(Br)cc(/N=C\c2ccc(N(CCCl)CCCl)c(OC)c2)cc1Br	104093417	MTOHVMWFHCHQBK-MXAYSNPKSA-N	553.122	6.654	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C/c1cc(Cl)ccc1O)N/N=C\c1cc(Cl)ccc1O	104371553	BHAPPEFYHBANSQ-XFPKHNAPSA-N	507.418	5.126	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	105509574	YKAMYGURGOACST-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	112247412	PESOWMBAQOZOSB-IPPBACCNSA-N	553.254	6.290	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)CC)CC[C@]4(C)[C@H]3CC[C@]12C	253499398	GBVDXIUBLNGDMK-YYQBDJRJSA-N	535.651	9.401	50	40	KKGB	biogenic
C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408541636	GZRKSCWWSOQIBA-QRVIBDJDSA-N	508.401	7.462	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408545306	XPFFSKVQUVBPLT-ZDLGFXPLSA-N	537.931	5.139	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	408552475	IUSDFCHMVRMTJI-MJXLXAJKSA-N	657.348	7.125	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408569146	ZCPMEVWVGOEPBR-UKWGHVSLSA-N	528.233	7.669	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OC	408582361	NDQNUZVSDPURQJ-GZTJUZNOSA-N	534.815	5.952	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3c(Cl)cccc3Cl)CC2=O)cc1	408612775	YRBBLEHQBSFWIZ-KRWDZBQOSA-N	532.855	6.284	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCC1=O	408640255	HSIBNMLNEULPCC-KRWDZBQOSA-N	502.181	5.033	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408643621	PWLJCNMJXAEJRX-LWSSLDFYSA-N	782.225	6.283	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408649655	YVBQPBVZOPPRTM-FZDBZEDMSA-N	647.147	5.164	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408650080	ZICSTNBAJYVYRO-UCDDGIFISA-N	719.770	6.203	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)c1	408650342	MIZRWWHYHVXRLU-XFGZQFJRSA-N	744.820	5.586	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1	408711967	SSQIHXQJBTZIFH-WYMPLXKRSA-N	535.725	5.196	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(I)c(O)c(I)c1	408736574	CWEKPQMYOJPOQF-ZVDFNDOMSA-N	681.312	5.024	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408745730	VFKODABAVYQMOH-MFOYZWKCSA-N	672.144	7.884	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)c1	408745833	VVWHBSSNNDAQNH-IWIPYMOSSA-N	530.455	7.834	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(I)cc1	408746376	SEWCHFCKAXKHHO-SFQUDFHCSA-N	501.755	5.898	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408751173	XIXFYMFWMHMGRU-KYHGBAKBSA-N	631.297	6.563	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	408766787	RUVSEZKRJUXIHW-VULFUBBASA-N	507.395	5.232	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Br)cc1	408791650	AGEVSTMOGKYVAY-MFKUBSTISA-N	632.352	8.224	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1cccc(C)c1	408795696	MIVBAASUZRVQAJ-OVVQPSECSA-N	504.586	6.707	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1C#N	408795802	NDTXWGVPAGJXHI-WSDLNYQXSA-N	516.395	6.153	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCC#N	408795988	NVJMVUNKDRCLKO-NTUHNPAUSA-N	542.160	5.445	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1C#N	408798336	WEFNALHQZCMVOX-RGVLZGJSSA-N	581.264	6.607	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1	408803109	LHGZBBFFUDZODV-VXLYETTFSA-N	511.361	5.913	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408817748	YIELYAHEWKNRKH-XLNRJJMWSA-N	555.103	7.486	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408838963	KVUSJEQPDPEXLP-VTNSRFBWSA-N	599.024	6.698	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)o2)cc1	408839953	DPCLEOANHIXFFA-KQWNVCNZSA-N	546.048	6.178	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1cccc2ccccc12	408840949	GSKVFUOLLKMNTP-YSYOEVFLSA-N	683.550	8.492	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4ccccc4c3Cl)cc2)cc1	408843671	MRYIBBSYWGZVCJ-DPNNOFEESA-N	584.053	6.799	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408846886	RPSRWWKLQVAPGX-PTEHHBOZSA-N	746.264	8.969	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(I)c2)cc1	408854568	IOWMJKCMRXFUCS-OJYCWLPVSA-N	629.473	7.539	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408871844	YDJITZYAYVYPOL-JBCPZZPVSA-N	568.320	6.974	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1Cc1cccc(F)c1	408875419	IQZNTJGJTWLCJB-VCHYOVAHSA-N	544.339	6.105	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)c([N+](=O)[O-])c1	408881647	LVPAWPCSLHNKBI-HYARGMPZSA-N	509.518	5.890	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	408882873	SMSNJTJRYVJPPQ-XYOKQWHBSA-N	513.260	5.080	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OCc1cccc2ccccc12	408888228	UCGXPUZBBNDWIM-FJEPWZHXSA-N	532.021	6.464	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	408891639	UFYTXUINPTVGGJ-DEDYPNTBSA-N	575.846	7.338	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408893273	DMDZFYNNCLHRKK-RPPGKUMJSA-N	548.777	5.127	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2OC)cc1	408894129	JHLKKQHMOYOLKS-CXUHLZMHSA-N	542.331	5.684	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408900045	SKUFLRBGJBZVSV-WOJGMQOQSA-N	596.264	7.683	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(F)cc1	408950221	RSIYAWDZJSCCOP-HKBQPEDESA-N	616.715	5.018	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(I)c2)c(OC)c1	408957967	WSABQWAJBKDONQ-MOEPSENCSA-N	732.959	5.252	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)c(I)c1)c1cccc(C(F)(F)F)c1	408965574	WAYQWQOIGRMBHT-KVSWJAHQSA-N	542.270	5.792	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408967896	XZAZAHATLWXHDN-KBKYJPHKSA-N	712.194	5.801	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1ccccc1	408978400	ZLKMVZPIJYIEJS-CBYAMXAJSA-N	532.422	5.545	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)cc1Cl	408992161	QQYQXQNWOYTLOT-QREOPPMYSA-N	658.161	7.543	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409010065	DDTMMOYDGWUBND-JJKQSNDFSA-N	783.052	8.821	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc2ccccc12	409015879	PGGKYAQAJUVCQT-GMDRXTTRSA-N	500.426	5.595	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccco1	409019490	JKIIBCLOOHZVLC-LGDMQAKQSA-N	506.514	5.281	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409089039	LOHMFBTVFXCCSR-LFIBNONCSA-N	515.419	6.489	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1cccc(Cl)c1	409126449	GBEPLTPVJMYBSO-SANMLTNESA-N	661.968	6.305	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(C)c4)c3C)cc2)cc1	409128694	GLAKBTKGGAIAQJ-NDZAJKAJSA-N	514.651	5.300	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409133306	SBDNDLCDTAEFDO-RUZDIDTESA-N	581.467	5.319	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccc(I)cc1	409184124	IVNNREMXYOONMJ-RDRPBHBLSA-N	605.542	5.065	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	409210991	LIQRNPPFOZANKH-KKMKTNMSSA-N	509.842	6.477	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccc(Cl)cc2)cc1	409218218	DMHYXEBNXFWZGO-SZYGYKHFSA-N	524.404	5.971	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409222325	CGCVJQYGWVRXCZ-UHFFFAOYSA-N	744.190	6.938	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	409222758	FGDPZSAFQYLIOO-LJUMEUDFSA-N	556.962	5.792	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409222810	CZXAAVYYXPYYAZ-LFIBNONCSA-N	545.220	6.319	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c2)cc1	409226804	VRDWGNBRXINIQK-UHFFFAOYSA-N	600.425	5.722	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)ccc1OCc1ccccc1	409257212	PBGVHXJQLPSLDP-KOKCXWAISA-N	742.010	7.411	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1OCC	409314715	SYZWFQDNNHGSBA-MNDYBZJGSA-N	517.384	6.439	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1OC	409317380	PJAULTRHPQZCSU-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC	409320027	AYVCSGVCEVECTC-DICXZTSXSA-N	585.367	5.785	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1	409374020	XEDPJZIUCKVWLM-FJEPWZHXSA-N	537.385	6.102	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OCc1ccccc1Cl	409382534	ONYWTQLAJQBLBU-CCVNUDIWSA-N	516.823	5.642	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)c1	409394475	AWJKBZCADUTOHJ-UHFFFAOYSA-N	750.658	9.312	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)c1	409395367	MSKQDQMWPPNMLU-UHFFFAOYSA-N	728.768	7.847	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)[nH]c12	409395886	SVQRERVXFFRBNH-UHFFFAOYSA-N	580.482	7.451	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409396974	DMPQYVCCJKDBDV-UHFFFAOYSA-N	531.568	6.164	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1	409398107	QOVSOFVTKZGVHG-UHFFFAOYSA-N	541.529	7.145	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N4CCCCCC4)o3)o2)cc1	409409394	OQLPTXYURJUFSR-FSGOGVSDSA-N	500.599	6.003	50	40	KKGB	
BrCCCCCCC(CCCCCCBr)(C1=N[C@@H]2c3ccccc3C[C@@H]2O1)C1=N[C@@H]2c3ccccc3C[C@@H]2O1	2297735891	YLEWYCAILFUETE-VZNYXHRGSA-N	656.503	8.853	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	2056261	FWZASUHEIVVGDZ-BIZUNTBRSA-N	578.090	5.912	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1N1C(N)=C(C#N)[C@@H](c2ccc(C(C)(C)C)s2)C2=C1C[C@H](c1ccccc1)CC2=O	2090985	BXGVXKSQRFQERQ-MMTVBGGISA-N	538.673	6.961	50	40	KKGB	
N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12	2418597	INQCDVDLKIYMNJ-MGBGTMOVSA-N	539.570	5.598	50	40	KKGB	
N#CC(C(=O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)=C1Nc2ccccc2N1	3288188	ZASHQZBDRZNCPA-UHFFFAOYSA-N	525.362	5.663	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)[C@H]2c2ccc3c(c2)OCO3)N=C(N)c2c1sc1c2CCCCC1	3669708	JHFKLDORTPUTNT-HSZRJFAPSA-N	512.635	5.447	50	40	KKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)cc1	6075456	LLQAGMCNLHBDDD-LQKURTRISA-N	509.400	5.495	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccc2ccccc12	9019512	VOVOCUXBNRSGEU-MTDXEUNCSA-N	514.701	6.769	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	14921359	OOQKDIXYBJIPMC-FDAWAROLSA-N	531.609	6.057	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccco1	21965047	FOTHIFUNHAQIFW-OCSSWDANSA-N	506.599	5.750	50	40	KKGB	
CC1=CS/C(=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)N1c1ccc(OC(F)F)cc1	33561214	MMONQMCYDIYRPX-XTQSDGFTSA-N	508.554	5.012	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1	51103216	QAHKHPPULYYLQH-LICLKQGHSA-N	541.776	6.473	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	59646121	CCOKHOSKUMKPNJ-RUMWWMSVSA-N	573.671	5.019	50	40	KKGB	
CCCCSc1nc(-c2ccc(C)cc2)n2c(nc3ccccc32)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	96022582	IXNABDRHCXSGGI-UHFFFAOYSA-N	608.771	8.370	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	97950976	HKEIPSZUVJZZPB-NDEPHWFRSA-N	543.092	6.663	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	97960716	NTEYTPNNJKNJFI-JLPGSUDCSA-N	618.471	7.366	50	40	KKGB	
COc1cc(Br)cc(/C=N\NC(=O)CSc2cccc3ccccc23)c1OCc1ccc(C#N)cc1	97963941	SCZTVZBNRIFQEF-ACXHZZMFSA-N	560.473	6.304	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(I)c1OCCCOc1ccc(Cl)cc1C	97964533	SGQPVJMATJABSW-MUFRIFMGSA-N	593.849	5.659	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])c(Oc2ccc(C(F)(F)F)cc2Cl)c1)C(C(F)(F)F)C(F)(F)F	98003734	WMLRPDVASNOYTQ-UHFFFAOYSA-N	511.680	6.706	50	40	KKGB	
ClP1(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=N1	98042867	SKMRCNFUSARNRP-UHFFFAOYSA-N	635.921	11.472	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c1)c1ccccc1	100039789	CYSZUSQWHZQTHA-MYKKPKGFSA-N	592.156	5.011	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccccc1	100220925	KEUZCYSEOWNIGF-NJZRLIGZSA-N	543.645	5.010	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	100233262	WHRKANGOJHYOKS-MTDXEUNCSA-N	534.465	5.436	50	40	KKGB	
COc1ccccc1NCc1nnc(S[C@H](C)C(=O)N/N=C(\C)c2ccc(Br)cc2)n1-c1ccccc1	100296293	MSIYWOHZNYBADG-UNIYSIPVSA-N	579.524	5.672	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(Br)cc1	100312389	HHPXVYZWMMMYPU-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1	100405749	ZKEUQVFFLWSOGN-OKCVXOCRSA-N	551.974	5.269	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1	100852826	ODNCXJPUSHMICM-FMFFXOCNSA-N	539.060	6.339	50	40	KKGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C1\c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]	101102325	VBVNAIMOSKAMEG-SJCQXOIGSA-N	550.487	5.458	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1F	102719448	LZZZFGLTDXPBJO-MHZLTWQESA-N	546.599	5.680	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	102807471	VLFFRXVRSFVFHR-HHHXNRCGSA-N	597.955	7.662	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(I)cc1	103889759	LDFQRUYNOWQXKR-BOPFTXTBSA-N	579.221	6.731	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342175	PINWXWYSLKAQHS-REOHCLBHSA-N	792.030	9.658	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccccc1	150464117	KUJDCIZBTXEKBJ-KBVAKVRCSA-N	629.964	5.864	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)c3ccc(CN(c4cccc(Cl)c4)S(=O)(=O)c4ccc(C)cc4)cc3)c(Cl)nc2c1	150500997	PJSHQGPNADHYKQ-XZYGTATASA-N	633.557	7.018	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br)Nc1ccc(Cl)cc1Cl	226384902	FGLFDHZGWFMNKM-DRKBARGVSA-N	581.132	5.270	50	40	KKGB	
c1ccc([PH](CCCCCCCCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	263613580	ZLVJFBVBRIZJDA-UHFFFAOYSA-N	666.870	9.560	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	408537603	GEXVFYAZAYSORD-ZXSNDDASSA-N	591.177	8.719	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408613374	ZKOSCSORHSSMRW-KNBZMSCYSA-N	544.744	6.333	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408641296	JVPSGCAGFXNTCV-YCAMKHIRSA-N	816.124	7.137	50	40	KKGB	
Cc1c(-c2ccc(OCc3ccccc3)cc2)nc2ccccc2c1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	408645394	LJMZBJJWTLQHEG-UHFFFAOYSA-N	580.040	6.061	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408670650	ITMLDDKDSVUENP-SYMSYNOKSA-N	570.665	5.027	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Cl)cc1	408724704	GVCBXYCTJZVYMS-QDYZPQLESA-N	505.840	5.967	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccccc1Cl	408725592	KXHIFVGNWWLKMC-RGVLZGJSSA-N	558.803	5.756	50	40	KKGB	
C/C(=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	408725907	JIQKEHWOOWEOQR-JDCMOKTRSA-N	540.645	5.059	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1OCc1ccccc1	408736859	JPBCLMGKFQIWGH-NIMQULRPSA-N	549.671	5.697	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2Br)c1	408743805	HMGOBGSBVXAIJP-UNOMPAQXSA-N	526.228	6.645	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)c1	408744734	GZAOAQBSEOEOSR-UCQKPKSFSA-N	512.993	7.025	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408745490	MSGUCTZDVDDIMP-CHHVJCJISA-N	662.536	8.139	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3F)cc2Br)cc1	408745503	MZXJIOVLKOEPIH-WQRHYEAKSA-N	511.347	5.730	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Br)cc1	408745805	PFGYGGKNOLLOEC-RGEXLXHISA-N	504.815	6.960	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)ccc1I	408747478	ONUGYKKNFMFOJS-LUOAPIJWSA-N	769.997	6.772	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(I)c1	408760845	GKPREEUIFNLEAA-SFQUDFHCSA-N	557.775	5.508	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1)NC1CCCCC1	408779275	UECNJZXSQWCLBX-FDAWAROLSA-N	536.097	6.224	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C	408782045	VJLHHYPYVASCSO-RHANQZHGSA-N	503.690	7.670	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Br)cc1	408787531	BIOICFSBCDOEJI-RGVLZGJSSA-N	570.281	6.962	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)c1	408789500	JRQYXWSJQBTBCK-UFFVCSGVSA-N	612.265	6.667	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408814146	NXCOIAUBWPXQSK-TURZUDJPSA-N	603.516	8.614	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC(=O)O	408815310	HGVDDYWBEQZIIA-MZFJOGFUSA-N	523.589	5.417	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1	408815785	UZPULUSNLMCMQL-NDENLUEZSA-N	603.254	5.865	50	40	KKGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408821462	HUFURHIUYSUVIC-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)c(OC)cc1Cl	408828313	DMNDGYKRAZDFHT-RQZCQDPDSA-N	606.698	7.007	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(Cl)cc1	408828870	WHWFZCMHZBMDEY-BUVRLJJBSA-N	607.921	8.749	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc(C)cc1	408832774	IZYZDSLVIRUNGW-YZSQISJMSA-N	583.482	7.470	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)S(C)(=O)=O)cc1C	408838064	QZEXAHDLWDZSNH-WCMJOSRZSA-N	570.498	6.600	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408838240	TXMAWJQVDKCBKZ-GZSUAHBPSA-N	553.684	6.072	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)o2)c(Br)c1	408839562	UJHPBTTYJJKYDT-IBBHUPRXSA-N	591.918	8.302	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1cccc2ccccc12	408839725	VUMMFKFYTRIQLH-JOXMEQDKSA-N	712.069	9.864	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc(OC)c1OC	408842332	JBLDKILCDTXIJI-YLYVUXRMSA-N	801.897	8.341	50	40	KKGB	
O=C(N/N=C/c1ccc(N2CCCCC2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842370	JNHAFGBMIRHXNM-LQKURTRISA-N	506.031	6.554	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1	408844234	OXKOLBIKVPQTFJ-QNVXDBMFSA-N	686.497	7.935	50	40	KKGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408845209	PMEAWHNSIDYGGD-BRJLIKDPSA-N	523.914	5.387	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)cc1	408848812	VVZUMRIMGSUMFD-WBIBEUCMSA-N	616.918	8.351	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408859249	NNURZWBCRVKLLS-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408859773	QJERNZLKGBJSKA-HIWRWHBISA-N	638.489	6.838	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cc1ccccc1Br	408871169	YDHAZJFDGLDHDF-UDWIEESQSA-N	506.356	5.892	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408872428	NDHQQEISRVDOJS-DPNNOFEESA-N	593.149	6.027	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccc(Br)cc1	408874193	ZGSZUGZMSQWJTE-IURWMYGYSA-N	666.381	6.938	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1Cc1cccc(F)c1	408875302	JCBAAMKOBMFCPX-VCHYOVAHSA-N	560.794	6.619	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408876834	RCIKAGFQJZQDCA-UXHLAJHPSA-N	558.100	5.490	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408880407	IUINEVFTCIDTSJ-QNKGDIEWSA-N	571.699	5.491	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(C)cc2)c(OC)c1	408885924	GYAKGBONIJRIKH-UVHMKAGCSA-N	609.258	5.722	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408889059	BHCYVWLIEUVTAV-XNTDXEJSSA-N	548.360	5.224	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccccc1F	408891440	QNCWASFDNZSXQB-LZYBPNLTSA-N	560.763	6.283	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCC(=O)Nc1ccccc1	408904274	HJVCYYAASIFPSC-MUXKCCDJSA-N	651.299	5.934	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408906262	DXRMQUFTHFQQJC-XJECJHNESA-N	636.479	6.937	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	408923756	JQJVGKLNCALGPH-XSFVSMFZSA-N	506.911	7.637	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1	408925912	UWNRFMJDEMFKAL-FOWTUZBSSA-N	503.363	5.315	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC(=O)Nc1ccccc1	408944623	NAHTTXHEYOMUGX-GKVNEZTPSA-N	651.561	7.395	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccc(Cl)cc1Cl	408967595	RDXAMVZQQLCYEH-PNQUVVCRSA-N	612.226	6.350	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409006765	KVKJTSFAMWGXIS-KMUKQRDJSA-N	572.105	6.598	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409011533	GATBEHQFBCDVEE-BBPHXPRPSA-N	530.452	5.930	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OCC)c1OCc1ccccc1	409012312	QJWBDRRBDOODSD-WCMJOSRZSA-N	659.318	7.270	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409018039	PTFQUFQXXDSQCV-QMRORBIVSA-N	573.480	7.057	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409025766	VZMCDRIEEAHPFC-KEIPNQJHSA-N	585.726	5.935	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccccc2F)C2=C1CC(C)(C)CC2=O	409125157	MRSIMFPGBHVVCV-VWLOTQADSA-N	554.460	5.550	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Br)c1OCc1ccc(Br)cc1	409128548	PLAULMRFBTWECW-IBGZPJMESA-N	546.219	5.049	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1	409133873	NOVHPXUUHRFEJZ-WKULSOCRSA-N	539.963	5.103	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409157367	QLSSTAFPJLARJQ-VVEOGCPPSA-N	577.852	5.460	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1	409158579	UBPUUQMGBVFTIH-ZHSUKTGHSA-N	655.855	6.016	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409160391	WTKXYRPFOQSJLF-WXMAUWIXSA-N	710.139	6.020	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	409210556	KZEKILFXAHUORO-RPPGKUMJSA-N	568.718	6.686	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)c2)ccc1OC(C)=O	409217182	AGELZBIVRUTGNF-UHFFFAOYSA-N	650.471	6.171	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccccc2)cc1	409225261	NUVQQPDPGLHHJK-ACXHZZMFSA-N	541.947	5.304	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)[C@H](O)c1ccccc1	409247440	CGDPTQQCCZZJLT-KSRKCLLLSA-N	597.101	5.737	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409249848	PGBQGAWAJCLTSW-BYINCCNUSA-N	529.851	7.409	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)c(OCC(=O)Nc5cccc(C)c5)c(Br)c4)cc3)cs2)cc1	409253064	DOYDQKWJPAMJTD-RODHXAHZSA-N	733.486	8.477	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)c1	409260483	QUZOSQVKWVDBBB-NVJOKUIPSA-N	593.703	6.263	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409271511	LUXQGEFZZIQSTI-GRSHGNNSSA-N	534.956	5.437	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	409311785	ICKNYUIOQBQYBX-ACXHZZMFSA-N	558.462	6.271	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OC	409323406	NZRLFHLGOJWVFF-NUJZUDFISA-N	566.279	6.896	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)cc1	409369662	UTAGYVAEJXZJNX-PPOKSSTKSA-N	512.613	6.842	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371099	BAIMOGVZHQGVMC-LSCVHKIXSA-N	652.182	6.145	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Cl)c(Cl)c1	409371412	FLLXDHVTJLVELT-PPDIBHTLSA-N	589.726	5.751	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(I)c2)c1C	409373766	URIILJUCVPBQAT-JFLMPSFJSA-N	523.374	5.624	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)[nH]c2c1	409374637	VNBJXODKPZCIJU-APSNUPSMSA-N	592.118	8.346	50	40	KKGB	
O=C(NNC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409381736	JKEISDVNPYHOQK-CLJLJLNGSA-N	698.899	5.196	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1ccccc1OC	409387827	RGXNWZZGARXBSG-IPHFVPNQSA-N	597.668	5.853	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc5ccccc5c4)c(Br)c3)[nH]c2c1	409392890	SWVHPMJZELLZSD-NHDPSOOVSA-N	589.287	7.893	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409394967	IEBOVSPYDXXHBN-UHFFFAOYSA-N	625.281	8.026	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)[nH]c12	409395527	OSSIECZNCVWUNT-UHFFFAOYSA-N	592.833	6.836	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409396081	WECCCTSQNWBUSH-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397386	JGMUEDYCZAOBPZ-UHFFFAOYSA-N	661.756	9.094	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)c1	409398488	TZTACOMMDHHRGB-UHFFFAOYSA-N	525.967	6.919	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409399019	XKWRYWKPDQKKQR-UHFFFAOYSA-N	579.937	7.629	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc2c(c1)OCO2	409399071	HMUSBHAUTSUTFM-RODHXAHZSA-N	672.532	7.109	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)c(OC)c3)[nH]c12	409399177	YEGPPOCYDRBFNI-UHFFFAOYSA-N	531.612	6.697	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3ccc(Cl)c(Cl)c3)o2)cc1	409400502	DMAYGJGACBVJGE-FDUMAKPYSA-N	701.832	9.332	50	40	KKGB	
CC[C@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409406443	WUCFIBYRJVALPU-NXFITDAQSA-N	545.636	6.225	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccn3-c3cccc([N+](=O)[O-])c3)o2)cc1	409407308	FFQCOFCHGXXXCJ-YKQZZPSBSA-N	523.549	5.729	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(Br)o3)o2)cc1	409407375	FMZZKNIVBLUSLC-ZRGSRPPYSA-N	561.230	6.148	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1	1529547278	KAANJBAZRUTANY-UUTVKSQHSA-N	719.001	5.409	50	40	KKGB	
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[C@H](CCl)C(O)(O)C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC	1570006805	PEKAGDKIGSDWSZ-JAMAZMCISA-N	631.382	10.840	50	40	KKGB	
COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccccc2Oc2ccccc2P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C	1911925626	RFWCWUVNSVLWLG-UHFFFAOYSA-N	770.887	9.497	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(Cl)cc3)=C(C)N2)cc1	1102423	HRQDNYJVLMPWBW-SANMLTNESA-N	549.052	6.038	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)cc1	1790146	RORBHVQZGPPQFT-YDYXIROLSA-N	536.426	5.962	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/C=C/c1ccccc1[N+](=O)[O-]	1883727	ZMGRSKAQGOBNFR-ARORBNQJSA-N	521.649	5.799	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	3092504	UWTSEIHTZRINOI-MUFRIFMGSA-N	502.368	5.384	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(Cl)c(Cl)c3)n2-c2ccccc2)cc1	6013974	BEZMUTWJYHMXAU-NTFVMDSBSA-N	526.449	5.882	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1c(F)cccc1Cl	6166462	YMPMIMIWGPSZTD-AESTZPKKSA-N	583.085	5.674	50	40	KKGB	
Cc1ccc(C(=O)NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3Cl)c2C#N)cc1	6245032	ZWIVMBBWSGKZFE-UHFFFAOYSA-N	547.467	6.456	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@H](c3ccc(Br)cc3)Nc3c(Cl)cccc3[C@@H]2[C@@H]1Cl	8426166	OZTZHIRBISRRRP-VZQSUIEHSA-N	550.305	8.049	50	40	KKGB	
O=C1/C(=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2N1Cc1cccc2ccccc12	13942139	QSIHAETXRZZSKR-BVNFUTIRSA-N	511.581	5.143	50	40	KKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)c1	16347988	DCAYYUFNTRDLSS-VTNSRFBWSA-N	507.569	5.591	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3Cl)c2C)cc1	20243653	QTRCJINSEXLODK-RPPGKUMJSA-N	504.881	6.202	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OCc1ccc(Cl)cc1	22079048	AIJIEOHJLQVBFU-XDHOZWIPSA-N	507.930	5.780	50	40	KKGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCCCC)c(OC)c2)c(OC)c1	27563557	MLIBOGADWLKNTO-RJOMAKBYSA-N	504.583	5.101	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	33353959	PRGKSVYNUNGUMJ-TZBSWOFLSA-N	656.933	6.708	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)/C=C/c1ccccc1	33604435	XHXFNQYQWKWWGX-XBAIXPLISA-N	513.594	5.453	50	40	KKGB	
CCc1ccc2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n13)C(=O)N2CC	53339982	DMFPTVNSWIDVQP-OXKNFPIISA-N	566.665	6.067	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1	97960711	NJPKPORBFMLNRZ-HAHDFKILSA-N	557.444	7.134	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc(Br)c1OC(=O)c1ccc(C)cc1	97962168	JPKMHZDGQKJGFQ-KCSSXMTESA-N	573.443	6.181	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CC[C@@H](C)C2	97971152	OBPNPXGRCJLBSV-WIZMWCRPSA-N	528.552	6.874	50	40	KKGB	
CCOC(=O)c1c(NC(=O)C(Cl)Cl)sc2c1[C@@]1(C)CC[C@H]3c4ccc(OC)cc4CC[C@@H]3[C@@H]1C2	97972010	RLXPMEFDXSZYBY-RSKZJDTISA-N	522.494	6.246	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(n1cccc1)=C(C#N)[C@]21C(=O)N(Cc2ccccc2F)c2ccccc21	98008176	HTGFPMUGNKLEKX-BHVANESWSA-N	568.652	6.968	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)Cc2ccccc2)cc1	100129299	MIRLQEDZYONLET-MNBJERMJSA-N	549.096	5.397	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1Cl	100226567	WHHVUIGAIGFZBP-NDENLUEZSA-N	572.830	6.776	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1)S(=O)(=O)c1ccccc1	100253758	VGVVJXIXEKVXGX-UZWMFBFFSA-N	561.107	5.874	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(OC)c(OCc4ccccc4)c3)n2-c2ccccc2)cc1	100342385	WKLVRKWKNLOMGN-UCMJSZAQSA-N	579.682	5.773	50	40	KKGB	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)OC(C)(C)C	100794544	KYSDBVSJLBOZDZ-IZLXSDGUSA-N	562.711	5.487	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(-c2ccccc2)cc1	100974208	LDTCMNNYAPMZPW-ZXSNDDASSA-N	564.736	6.626	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1	100984804	OYBXIVBAXLODAN-ABPPERTMSA-N	522.457	6.621	50	40	KKGB	
CC(C)(C)c1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(OC(=O)c4sc5cccc(Cl)c5c4Cl)cc3)sc2c1	102619327	SOUVSEWZVPTAHY-ZHSUKTGHSA-N	615.991	9.357	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	102719136	XXEBSGOYMGRUMS-MHZLTWQESA-N	528.609	5.541	50	40	KKGB	
CCc1cccc(CC)c1-n1c(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)nnc1-c1cccnc1	103103845	LHOXQLJUUKKJBT-MEFGMAGPSA-N	524.675	6.068	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc2c(c1)OCO2	103890427	BYUGINPJEZHOGG-IUXPMGMMSA-N	545.806	6.899	50	40	KKGB	
Clc1ccc2c(c1)[C@@H]([PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(Cl)cc(Cl)c1-2	104127415	GTRAGSZAWCCGNU-WJOKGBTCSA-N	531.850	8.443	50	40	KKGB	
CCCCSc1nc(-c2ccc(C)cc2)[nH]c(=O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	104476335	FYUSMCHIKZONEK-UHFFFAOYSA-O	535.673	6.257	50	40	KKGB	
CCSc1sc(-c2ccc(Cl)cc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	105969468	XOLYKYHNNZGYPD-UHFFFAOYSA-N	517.079	7.195	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1)S(=O)(=O)c1ccccc1	150385301	YVCQAFVUJAVSBO-NNLKUIAGSA-N	639.221	7.832	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	150481242	PMVSUEOYOOGNTC-KVAAJVFYSA-N	720.657	5.015	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	162480360	CMRSAMZUZIFBNE-XODNFHPESA-N	659.784	5.369	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc(Br)c1OCc1ccc(Cl)cc1Cl	164475404	JOARHOWCGQGUKP-RRDBNTQTSA-N	715.226	6.747	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552949	SSZYJIRCBMDPDI-OCUJFKKWSA-N	709.055	9.002	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408570438	VBMXAMZVXIUMCQ-IPPBACCNSA-N	563.528	6.589	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408641368	KDUCREYYLFDKCF-OAHLLOKOSA-N	849.354	8.716	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408641684	LABUCPZBMZKQKJ-NDBXHCKUSA-N	747.780	5.630	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408643204	FUGTWTIBVVKYBF-JEYIHPHJSA-N	622.741	5.055	50	40	KKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCc1cccc2ccccc12	408691907	XNOOFSNSYWZVGY-HMAPJEAMSA-N	538.445	7.537	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408711682	FNCFNRRPFRWFQT-NUJZUDFISA-N	566.279	6.435	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408746648	UWEREALPMXMHJM-YVLHZVERSA-N	668.123	6.949	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccccc1C#N	408753617	NPWLUSPAKPZBBR-JMIUGGIZSA-N	581.264	6.607	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1Br	408755645	ROPAHVDTTPHPSE-SFQUDFHCSA-N	510.775	5.666	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)C(C)C)cc1	408762157	CZXNUBJYAHVIAD-SZOXOVSESA-N	593.705	5.974	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408764001	VLUFTAYYHMRREL-NVMNQCDNSA-N	541.785	5.934	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408771349	HJEIYUNSVFKUFG-YZSQISJMSA-N	579.314	5.256	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408782626	XQTOYTUNFZAXJN-MWAVMZGNSA-N	526.102	5.990	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1	408785002	WRYLKHJIARFLOV-RHANQZHGSA-N	503.690	7.670	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408787919	HMXMMVVXTRNVTQ-LZYBPNLTSA-N	548.220	6.595	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(F)cc1	408789501	JRXXYCBMNNELNA-WOJGMQOQSA-N	511.347	5.817	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408792482	KETGTHANECTVKX-GIJQJNRQSA-N	527.205	6.752	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCC(=O)OC	408793573	FKVLDFBJLFAYBQ-AWNIVKPZSA-N	575.186	5.094	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2I)c1	408795131	LDLROKQDZHUKEG-SRZZPIQSSA-N	601.282	7.104	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(I)cc1	408796582	PJWDGBMHDYKKKT-WOJGMQOQSA-N	637.699	7.230	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1	408808126	FCDOFTSOYUFYQU-UVPCLOGWSA-N	511.419	6.966	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccc(Cl)cc1Cl	408815057	TZWIKQLVRHYQRM-NDENLUEZSA-N	511.380	6.994	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc(F)c1	408820397	VTZUIPVEHQHZOA-WKIKZPBSSA-N	544.320	5.528	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)c1	408820489	YBOZMDKYFBSZLB-BWAHOGKJSA-N	548.712	7.449	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408826805	DCXDNTXQYRWECA-WCMJOSRZSA-N	568.017	5.802	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408829123	KORNZZQODSJUMR-KEGTUQKMSA-N	804.174	7.023	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C)cc1	408830684	SNBZBCXEEHNCSW-IPPBACCNSA-N	539.963	5.021	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(OC)cc1Cl	408833683	UATSMPIFYOVTBZ-FRKPEAEDSA-N	552.241	7.442	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OC	408838691	HDHUMDCWNWNSCR-CCVNUDIWSA-N	507.015	6.297	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(C(=O)O)cc1	408846071	QNRUSHYRNVXABM-MWBNBJEGSA-N	627.122	7.647	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408849461	YWHCHFQFBWXMMX-AABVJFSESA-N	622.917	8.097	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Cl)c(Cl)c1	408854084	XFLIDQICPWFLHR-KBKYJPHKSA-N	505.199	6.674	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408855774	DNCUAZFDUITASC-KVSWJAHQSA-N	568.320	6.727	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408864416	VLINKNGMZVNAEI-KCSSXMTESA-N	626.504	5.521	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)ccc1OCc1cccc(Cl)c1	408878225	YMEUUATYSIGYQS-GOJREDGKSA-N	583.132	6.404	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3c(Cl)cccc3Cl)c2)c([N+](=O)[O-])c1	408884376	YURVDAUJAFOQFZ-MHWRWJLKSA-N	528.348	6.043	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cc(C)cc(C)c2)c(OC)c1	408888988	AGHBZIKNBNOUQE-YDZHTSKRSA-N	566.439	6.604	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1	408890455	UCMGMCIOCFFAPO-LICLKQGHSA-N	588.785	5.727	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2cccc(Cl)c2C)cc1	408893324	MDOMYURGTBKPMW-OKCVXOCRSA-N	570.502	5.450	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(=O)c3ccccc3)c(Cl)c2)c(Br)c1	408895359	MLRUOPVTEYREHT-CXUHLZMHSA-N	609.101	7.592	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)ccc1Br	408904616	MFYVSVOKZLAERP-BCHBDCPOSA-N	661.107	6.998	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCc2ccc(Cl)cc2)c(OC)c1	408957867	WNWBIZPPGIAQFX-OEISHWKDSA-N	762.985	5.261	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408977094	CYNANEPGGKSFEN-VNXYKSSOSA-N	566.614	5.584	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1	408991746	PEBRRJMWWSFMRM-LDADJPATSA-N	616.080	7.078	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1	408996741	JRKZXWQBWWNPHJ-GRVCRRDESA-N	503.558	5.630	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(Cl)cc1	409001399	IDKIRAGVJSYAKO-HNSNBQBZSA-N	572.017	5.983	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409026131	HCKQXVBEDNILNV-QCFMCPCVSA-N	630.723	5.091	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409043063	ZFFWYPSPWTUYNH-WOJGMQOQSA-N	618.871	6.048	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	409043524	RMXAQXHKRVOLJZ-NTUHNPAUSA-N	530.138	6.341	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409056588	MWGWEJJKUPIHES-LZYBPNLTSA-N	591.643	6.898	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OS(=O)(=O)c1ccccc1	409067900	DQAWYXFOVITVGU-LDADJPATSA-N	527.396	5.080	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409082730	MYJRNCJKGYWTOB-OQLLNIDSSA-N	529.858	7.663	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409084989	YQEUWJMGQASQAT-LICLKQGHSA-N	637.352	7.263	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2cccc4ccccc24)c(Br)c1)OCO3	409096242	KEZOVXAQMFZLEP-MHZLTWQESA-N	527.374	6.128	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1cccc(C)c1	409221234	NCQASWDHWMCZPA-AYBNGVQBSA-N	552.412	5.972	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	409223210	FYGGPWICXCOOCP-LMTOVYBFSA-N	640.537	6.498	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1	409224357	JERKFWKVKNQVJR-UHFFFAOYSA-N	590.861	6.646	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409226416	VYLPBSVHSVKTPY-PEGPKSNNSA-N	692.320	6.755	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1	409226755	WLAPCDGZAUNOQB-DEDYPNTBSA-N	548.393	5.107	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409235538	CBSRGHRAUKIIQE-PXNMLYILSA-N	553.737	7.385	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccccc1C#N	409236047	FENVOTMDUQTPAG-OYKKKHCWSA-N	577.422	5.406	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409259116	WQFPARHQWMCTSV-CDLBOOTPSA-N	733.088	8.767	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1OCC	409304534	RTYNHFMOJMIWRO-NUJZUDFISA-N	610.730	7.005	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409305722	WXVKJQYOPCZJMO-RTWAWAEBSA-N	641.371	5.881	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OCC	409317413	QJNCOPWNBHBYTK-MNDYBZJGSA-N	578.290	7.062	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1OC	409325317	XTJQUHNBUKEPBG-DICXZTSXSA-N	560.388	5.050	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)[nH]c2c1	409374656	VZEYIEDEQAVSEP-OCKHKDLRSA-N	548.238	6.911	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409383788	HIZOUUBAZXIGBR-YBFXNURJSA-N	615.474	7.444	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409386024	NIYAAEZRKAKSGX-IPBVOBEMSA-N	656.285	7.072	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(I)cccc4c3-c3ccccc3)cc2OC)cc1	409397201	HIXIPIUWKOUNEF-UHFFFAOYSA-N	645.453	6.440	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1[N+](=O)[O-]	409404286	PRGIEAPRYNITCD-XVIDZLOXSA-N	653.486	6.031	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409409130	NIBUTWWXMMZWBS-IZYHBKOJSA-N	705.403	8.083	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	1773035	NGZFALJIHZCVGR-QHCPKHFHSA-N	566.001	5.616	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2	2316415	STFINIHJHINUAP-RVDMUPIBSA-N	515.418	6.916	50	40	KKGB	
N#CC(/C(O)=N/c1ccc(F)cc1)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1	2405848	UVGUEHRIQAPNQY-SCIJIFGBSA-N	506.490	5.587	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	2670801	FYPQTFHYXCKEIP-NTEUORMPSA-N	549.266	8.153	50	40	KKGB	
COc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1cccc(Br)c1	2801761	NZNAFPKYPXEIKV-RCZVLFRGSA-N	515.411	5.630	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1	4018593	FWDAISMXBRAQMS-CAKFPMANSA-N	534.016	5.406	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(O)c(OCC)c3)cc2)sc2c1CCCC2	6167009	HFHZCCANVSEBHB-ROZPFKJRSA-N	579.675	5.078	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3F)=C(C)N2)cc1	9076393	XWFFWGYLLXGNCJ-RUZDIDTESA-N	503.555	5.378	50	40	KKGB	
CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(C)cc4)N(c4ccc(OCC)cc4)CN3C2)cc1	12250567	GTLWJFLICZFHRW-GDLZYMKVSA-N	512.679	6.517	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	20207153	MIIRMRCCZYYMGN-OGLMXYFKSA-N	514.047	5.091	50	40	KKGB	
Cc1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCN(Cc4ccccc4)CC3)N=C3CCCC(O)=C32)cc1	20265767	HMRYRIRHEDSYPG-NDEPHWFRSA-N	512.679	5.342	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)C(C(=O)Nc2ccccc2)=C(C)N1	20348600	KAGIDCKUBABTRU-MUUNZHRXSA-N	526.637	6.095	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)c(C(=O)OCC)c1C	33659830	VETUKEMAUJJTLW-HYARGMPZSA-N	517.603	5.708	50	40	KKGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1	38700675	OUTJORMCLPEEST-HSZRJFAPSA-N	519.047	7.022	50	40	KKGB	
CCCCOc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)c1	49745552	CKISOJYDINOZGT-SSEXGKCCSA-N	552.700	6.572	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccccc2)cc1	59336321	RYAHPLKUBJMCCE-KQWNVCNZSA-N	516.428	7.526	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC	59416311	CXKHLGPTYRNAOH-UVHMKAGCSA-N	502.354	5.035	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C(O)CCCC3=N2)cc1	95483825	HORIWIWHMDYIMZ-RUZDIDTESA-N	516.579	5.015	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)o1	100085181	FWIIZEXNVYOCFS-ZSGSWWCISA-N	531.569	5.088	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1Cl	100118959	QHFIUAGUSCOJFE-AMEZEBJKSA-N	543.092	6.286	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(C)cc2)cc1	100242931	IACPEAKZONMBDQ-FMFFXOCNSA-N	572.731	5.764	50	40	KKGB	
COc1cc(-c2nnc(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)n2-c2ccccc2)cc(OC)c1OC	100318142	HEXZPBCWLZMMHO-GXBUFBABSA-N	609.708	5.782	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Cl)cc1	100336152	SVHHRJXBNGAHSC-JAIQZWGSSA-N	572.830	6.695	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	102384368	AIMRBLPOQMDMQI-MGBGTMOVSA-N	606.147	7.877	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	104704956	AXLGCLUULZYOJP-PPOKSSTKSA-N	605.116	5.727	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3sc4c(c3c2=O)CCCC4)cc1	104756498	QPOCGISWOTZPOM-AEUUOICLSA-N	616.853	7.177	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	105227120	VWBZLJFXKQJQRX-LZYBPNLTSA-N	547.192	6.789	50	40	KKGB	
CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341660	YGVQFTMOXQBGJL-CQSZACIVSA-N	842.350	12.771	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	150407087	BMFYVIKBNNXXIC-SANMLTNESA-N	628.379	7.462	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OCC	408540398	RFVXBMVSCGRKMC-PKAZHMFMSA-N	509.872	7.004	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(I)cc1	408568314	IXCCCAMNEDLKJI-FJEPWZHXSA-N	760.457	6.881	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC	408580631	QDGHRFMISHYQAO-SRZZPIQSSA-N	541.385	6.269	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(C#N)cc1	408712089	ZBEMXZZFGHCKTR-CCVNUDIWSA-N	604.242	5.667	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408743196	VFGFZEZGQAOMHM-BKATUZMVSA-N	616.548	9.461	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I	408747940	VYLBGDLHISSFBB-GHXNOFRVSA-N	623.026	5.603	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(I)c1OCc1ccccc1	408748247	ARXXRLAZWKSCBU-JFLMPSFJSA-N	544.389	5.350	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1cccc2ccccc12	408758324	IWAVGVGPNGRPFJ-OKCVXOCRSA-N	584.841	6.839	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccccc1Cl	408772679	FCUBIUZYQNXSJF-ZROIWOOFSA-N	522.266	7.258	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccccc1Cl	408787803	GNNHYJDMVKALSG-HYARGMPZSA-N	517.810	7.380	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408790984	SGINDAPFGXBYRQ-FRKPEAEDSA-N	532.767	6.688	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408791830	DCUAPARKPRURKY-LZYBPNLTSA-N	567.185	6.862	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408792721	BQUZIWKJDMYSMD-LZYBPNLTSA-N	595.220	6.437	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1C#N	408792809	LMFTZGYOQDMHBE-FSJBWODESA-N	530.422	6.461	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1	408794560	IYGSAUVEWHVTJY-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408796425	YBROOBBJOAWRAF-VCHYOVAHSA-N	515.780	6.558	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cc(OC)ccc1OC	408805646	BJWLTEDGNMQPAN-UDWIEESQSA-N	506.986	6.189	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2c(OCc3c(C)ccc4ccccc34)ccc3ccccc23)c(OC)cc1Cl	408821012	BJISMIUWUSIQLG-LFVJCYFKSA-N	563.053	8.097	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4)cc3)cc2)c1	408825013	ISXJQJSKTPBZAX-NLRVBDNBSA-N	509.005	7.352	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408829525	PODUQQKNJPUBRY-YQCHCMBFSA-N	568.699	5.600	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc(C)cc1	408831210	QHPCXIPOMFPHPM-AFUMVMLFSA-N	713.399	9.009	50	40	KKGB	
O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408831770	VIWSAHCJWJIYHZ-PPOKSSTKSA-N	545.664	6.098	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408845585	YHRVYYYCKMIFLO-ORBVJSQLSA-N	577.089	7.414	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)c1	408846222	IXSPNLGFLXHRDV-QJOVZPHJSA-N	657.406	8.629	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2F)c(I)c1)c1cc2cc(Br)ccc2o1	408847277	SUCKQRFLJBUDDE-PPDIBHTLSA-N	593.190	6.282	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccc(Br)cc4)cc3)sc2c1	408849097	YSVJBZCFRDHQRR-UVHMKAGCSA-N	526.843	6.642	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	408864105	SWOBEMXNFASWRJ-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1c(C)ccc2ccccc12	408868568	MWVFBOURDTVQIR-HYARGMPZSA-N	516.519	7.300	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1OCC	408870492	FLOZLYRSKLQGSA-LUOAPIJWSA-N	569.854	5.262	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2	408871241	YYLFIIXPDPVCRE-OKCVXOCRSA-N	538.456	5.591	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)cc1	408882276	OGHFXORMMIMMHC-LGJNPRDNSA-N	534.781	5.605	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	408885987	CHHOXYCHHUTTCW-WKULSOCRSA-N	576.497	6.674	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccccc1Br	408893214	DBCXUIHIMRAIAY-YBFXNURJSA-N	651.726	7.539	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OS(=O)(=O)c1ccc(C)cc1	408899565	QJYHEFVZUNCINN-GZTJUZNOSA-N	517.390	5.624	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OCc1ccc(F)cc1	408925343	RDSJTTSAEAWLIM-LZYBPNLTSA-N	597.211	6.870	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2Br)cc1	408925860	ULKWCIMXAWDCQD-QGOAFFKASA-N	527.396	5.080	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	408952475	WBEFNUXIVWQCHQ-HHHXNRCGSA-N	706.446	6.220	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1	408970663	JWLYKHCMXNEZDT-WTXCFUDVSA-N	713.456	7.379	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408970956	BLJYODIZLKYXQO-VKZMAOFBSA-N	522.045	5.287	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)c2C)cc1	408980417	QUVRSTQKUZIBTK-AOYMVWLXSA-N	508.622	5.504	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccccc1C#N	408981382	ATJGDCCBSIMYRO-JMIUGGIZSA-N	583.813	6.258	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5Cl)cc4s3)c([N+](=O)[O-])c2)cc1C	408993541	WAVVQKOODRXVMG-KGENOOAVSA-N	640.146	8.424	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	409025883	ZMJZYEBKPVWOJG-OVVQPSECSA-N	504.439	5.314	50	40	KKGB	
Cc1cccc2c(/C=N/NC(=O)CSc3cccc4ccccc34)c(C)n(Cc3ccc(Cl)cc3Cl)c12	409035499	JYKZJBXRJMCDSO-MHDJOFBISA-N	546.523	8.009	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(Cl)cc1	409041651	AXXGXKDUSWCBGD-HNSNBQBZSA-N	522.004	6.907	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409042041	XEQRSHHLCNSOLZ-XMHGGMMESA-N	584.426	5.395	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409078760	CWDGZMBEODZEPQ-RIYZIHGNSA-N	510.846	5.209	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)Cc2ccc(Cl)c(Cl)c2)cc1	409112326	LDWXSJRZXULUFF-KCSSXMTESA-N	582.509	6.435	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1	409164930	PUMCCOCXTKBAEX-AABVJFSESA-N	688.417	5.826	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409183964	GYDXJYAWQVNVAA-AABVJFSESA-N	711.849	7.343	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409193304	IXWZRHHNNZVYIZ-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1F	409216144	IDSZAVITMBYTNH-XODNFHPESA-N	551.865	6.462	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccc(Br)cc1	409223593	GIVNAHYJTOUWQW-UHFFFAOYSA-N	651.311	6.456	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409226265	MLDQIQDAKIKUPA-YVLHZVERSA-N	627.198	7.197	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)n1	409244177	YXZLNGMZHVYPRN-YSURURNPSA-N	506.857	5.159	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409253682	YADPHHHUFYFNNU-GXBUFBABSA-N	567.642	5.763	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)SCCS1	409271222	KRULTQLSFWIAQM-FSJBWODESA-N	544.334	5.827	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409272329	YECSQPSMFKMTIC-RQZCQDPDSA-N	544.822	6.527	50	40	KKGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)=C2C#N)cc1Cl	409310922	XHGASFMUZXZFLD-ZDUSSCGKSA-N	574.806	5.840	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)NC(=O)C[C@@H]1c1ccccc1	409320998	DBNUQRVIFCCGKK-CQSZACIVSA-N	510.335	5.178	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OCc1ccc(Cl)cc1	409364738	PAISPFQDFWTCNN-WYMPLXKRSA-N	576.909	5.569	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409371336	HFDOVLCVJYSREX-LSCVHKIXSA-N	503.769	7.597	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1	409374154	ZHIUSTWVGSFLLW-YSMPRRRNSA-N	512.360	5.028	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1I	409374336	MRDCCLICRFMTOU-ZSOIEALJSA-N	567.168	5.710	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccccc1F	409380719	BRWZMOAJCUKNDR-UNOMPAQXSA-N	552.400	5.859	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409396469	YPSPXGMUFXKSJH-UHFFFAOYSA-N	664.843	6.984	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccccc1Cl	409396910	CVPXWVKIDZPXLN-UHFFFAOYSA-N	528.395	7.125	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409398324	SNFCWQRJBJDDJT-UHFFFAOYSA-N	573.989	6.090	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409398873	VYUKSJCGMJTESS-UHFFFAOYSA-N	517.585	6.525	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)o2)cc1	409402936	LKSFSIDIFAQWOV-AEUUOICLSA-N	642.506	7.070	50	40	KKGB	
Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409410424	WZYXQQUUAWFUKU-DXJNIWACSA-N	512.610	5.175	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)ccc1OCc1ccc(C(=O)OCC)cc1	1529548685	LQSLVNUGMCSXDL-ITAPYZMZSA-N	709.619	5.090	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C)c(Br)cc1C(C)C	2080228	YEICKPSCQZNDHJ-BRJLIKDPSA-N	524.253	5.737	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1	2170050	LUMJEGBAWXZTJC-GDLZYMKVSA-N	520.633	6.038	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	2219731	VXDHHKZAQOKADE-VHAPMWFVSA-N	508.430	5.736	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)cc1	2726739	CXJWTMYFXGMDGB-SFQUDFHCSA-N	520.916	5.981	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	2726803	QYXRQCQNFHXUHB-RPPGKUMJSA-N	516.804	5.924	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(C(C)C)cc3)cc2)sc2c1CCCC2	6166995	JEFQSZSZROLENK-LXISSDBLSA-N	561.704	6.097	50	40	KKGB	
Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@@H](C3=O)[C@@H]3C[C@H]4[C@@H](Br)[C@H]3Br)cc2)c1	8449814	CLJSKGHGSRSCIZ-YUNYCSSDSA-N	505.206	5.070	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccco1	9375336	BSGCYNNTWPNJBT-RUZDIDTESA-N	518.570	5.134	50	40	KKGB	
COc1cc(/C=C2\SC(=S)N(/C=C(\C#N)C(=O)c3ccc4ccccc4c3)C2=O)cc(OC)c1OC	16958435	BEDGHWXGQPIKKZ-MUAXHQNSSA-N	516.600	5.357	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12	19824551	GZOVSWZAGAMNOH-SSDVNMTOSA-N	504.981	5.942	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1	28217949	DFFCFDYXXFALPB-LGJNPRDNSA-N	503.780	5.219	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(F)cc2)cc1	59646731	COUNLHXZIHPCKO-FJEPWZHXSA-N	560.434	6.047	50	40	KKGB	
CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4o3)c3cc(Br)ccc32)C1	97940062	KDBOCECLKIZFHX-QKPZSYOFSA-N	596.551	5.408	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccc(CC)cc3)c2-c2ccccc2)cc1	97960768	KJKQIYKTVFJQQT-UQRQXUALSA-N	565.673	8.096	50	40	KKGB	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cccc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1	97981425	RVXPKNGLINQUNL-ZCJKAFFOSA-N	575.452	6.719	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	98001359	ADSQSPPTHZDFEZ-LUOAPIJWSA-N	601.078	6.267	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c1	100125813	AEPGMIIANFIPFD-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	100193561	MKKIKSOXDMZFPV-GXBUFBABSA-N	540.450	7.647	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100239726	YQXSBXHCBUMHQN-BIZUNTBRSA-N	623.573	5.909	50	40	KKGB	
CC(/C=N\NC(=O)CSc1nnc(CNc2ccc(Br)cc2)n1C)=C/c1ccc(C(C)C)cc1	103254661	HATQZIPSWTWWEP-KXXSCWRZSA-N	541.519	5.611	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882920	GLPHUGOZEAMAGV-JCMHNJIXSA-N	536.857	5.937	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1CCC(=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1	104614459	JODWIKLPMKKDBJ-KBPBESRZSA-N	574.292	6.053	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341944	PVKQNZPJBFSJAZ-QFIPXVFZSA-N	654.524	12.080	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1O	150412192	RFGGDHDTWFVHTD-LUOAPIJWSA-N	622.730	5.456	50	40	KKGB	
COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCC[C@H]2[C@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1C	261364474	GWUJDUKNOAFEOH-QIVKAUMISA-N	638.813	9.294	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408536758	AXFHRGZBYFDYNS-IPHFVPNQSA-N	605.204	9.027	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2Br)ccc1OCc1ccccc1	408538360	LNQAUOABAOBHOM-YSMPRRRNSA-N	676.405	8.622	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)c(C#N)c1C	408547375	VUGZEWSTVDTSBJ-OQLLNIDSSA-N	505.508	5.000	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br	408567268	CSSWMQFEFALZEC-OPEKNORGSA-N	618.369	5.161	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1cccc(C(=O)O)c1	408676660	LXQKBLMMDGSKEX-OCSSWDANSA-N	613.452	5.331	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(Br)cc3)cc2-c2cccc3ccccc23)c1	408726664	SKJHFRXBBWYALK-UXHLAJHPSA-N	509.407	6.527	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1	408728086	VIUOOCDUGCHBMB-DXJNIWACSA-N	548.064	5.649	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1cccc2ccccc12	408744918	OALMEATWOVEXMY-UCQKPKSFSA-N	527.418	7.044	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])cc1OCc1ccccc1	408745438	SFXPDHLCCRYZIM-WQRHYEAKSA-N	508.328	5.491	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)ccc1I	408746218	CLRHROVHAGKUDL-KKMKTNMSSA-N	658.128	6.476	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(I)c1OCc1c(Cl)cccc1Cl	408777925	MEOBPQQVCCADPS-ZHZULCJRSA-N	664.371	7.968	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Br)c1	408787430	AAPDLDAYPZFMHW-SRZZPIQSSA-N	554.282	7.262	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccccc3C#N)cc2Br)cc1	408790337	PAVCXWILELBRRC-YDZHTSKRSA-N	574.431	6.021	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408791863	DMJVXEOLYRXQGI-UDWIEESQSA-N	521.367	5.671	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c1C	408792928	CCGRMMPPULKHRL-KEBDBYFISA-N	631.264	6.493	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1C	408793396	FGIOIGHJKFJQRJ-VXLYETTFSA-N	619.151	7.716	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408814970	QVWRJJJYRLXUGF-LSCVHKIXSA-N	536.242	7.111	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	408819906	ZACYJOLBMVHQLR-KOEQRZSOSA-N	503.001	8.080	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)c(OC)cc1Cl	408825094	AEDKQEQXIKNOOX-REZTVBANSA-N	602.825	6.161	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1cccc(C)c1	408833626	TYXMKCSCAVIIBO-ZMOGYAJESA-N	652.372	8.777	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2cc(Br)ccc2o1	408848185	QEVTZHTWUATUMY-LGUSAWBASA-N	651.105	6.792	50	40	KKGB	
C#CCOc1cc(Br)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408857155	SGYICEGADYLPOG-RGXNXFOYSA-N	556.460	6.390	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2cccc(Cl)c2C)cc1	408864487	WFUSRQMVYUCFKS-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccccc1Cl	408875113	DDJJAWIJODRWLB-SRZZPIQSSA-N	541.431	6.212	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2cccc(Br)c2)cc1	408876953	RHNCCTMQYBVMGF-JFLMPSFJSA-N	528.472	5.028	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c(OC)c1	408877488	WGKASXCGULNECW-SSDVNMTOSA-N	532.394	5.140	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(I)cc1	408880778	IUDNMCJSDBJPQC-LICLKQGHSA-N	732.097	6.625	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1	408882470	PFLOPIZKEBWBCK-RCCKNPSSSA-N	518.953	5.680	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1	408886417	GYVRXILLRGGXRY-XSFVSMFZSA-N	541.357	6.065	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1Cl	408895042	KFOKEGYHAZQSAB-RQZCQDPDSA-N	521.322	7.145	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408896951	UZUDHGHGXROTKC-ZHSUKTGHSA-N	725.487	7.089	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccccc1C#N	408904644	MOOQPXHZINMPIE-QDTIIGTASA-N	572.257	6.135	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OCC)c1	408906042	GUYIFDMQZBNFLY-INOZVXBCSA-N	694.364	5.839	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408924658	PUSBFQOXSPHZQF-PGELQFCNSA-N	720.404	6.064	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1OCc1ccc(Br)cc1	408924750	ODUAIDFAQLQLKG-QGOAFFKASA-N	507.340	5.281	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Br)cc1	408964891	TTWHKYONNNBERR-XKJRVUDJSA-N	633.202	6.424	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408995328	MHWLJGOJCGHHGO-LGUSAWBASA-N	662.118	6.543	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl	408998588	MJWXNDVUWXSCPE-AHIOEPHHSA-N	585.060	5.378	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc2c(c1)OCO2	409011059	DLUXFSLKHCUSTD-CCYVENIHSA-N	630.097	5.303	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC	409032963	JYQASJWRPLSSEJ-UXHLAJHPSA-N	530.422	6.392	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)c(C)c1	409050574	XEOCJYHKQLLECQ-VXLYETTFSA-N	558.245	7.092	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c(Cl)c1	409058550	YNFPSKMWIHAWQP-LUOAPIJWSA-N	571.096	7.170	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409090310	OUYOBSGZXGUKSL-VGOFMYFVSA-N	630.295	7.741	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(C)c(C)c2)cc1	409184064	IFPSCZHXCUOXAA-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)cc2)cc1	409185901	SHPQKZBMWRNRHF-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cccc(I)c4)c3C)cc2c1	409187059	LMBYJMQSSVKUMZ-WGARJPEWSA-N	527.362	5.608	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	409218726	KBMDXAQYOLUFDX-WOJGMQOQSA-N	554.386	5.352	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409223651	GUASLAJJYNZRNJ-UHFFFAOYSA-N	566.828	6.882	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c2)ccc1OC(C)=O	409224675	NBAXXXMHGPUEJR-UHFFFAOYSA-N	699.308	5.974	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409236427	GBGOAYSTJGQHPT-UCQKPKSFSA-N	519.985	5.882	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)c(C)c1	409254495	XMILXRUHMQBKJT-SRZZPIQSSA-N	611.334	7.008	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409324304	SXXRVOYEKBJFQT-DBFSUHOCSA-N	582.278	6.515	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409392255	OLIJANHQHKHPRM-APTWKGOFSA-N	622.357	7.472	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409394990	IMWBBJDGXSOEPZ-UHFFFAOYSA-N	534.528	5.735	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409396132	WQCNZCADQVDURE-UHFFFAOYSA-N	597.856	7.106	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397009	DYLMHXPPUHOJEZ-UHFFFAOYSA-N	657.477	6.896	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397419	JQWUSAZMKAHKNQ-UHFFFAOYSA-N	596.854	7.770	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(OC)c4c3-c3ccccc3)cc2OC)c1	409398118	QTDKKXMZCSMIKP-UHFFFAOYSA-N	579.609	5.852	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409398137	RCQQSXNYGJTINH-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2)cc1	409400383	CPRWUZVRBBKAOG-OJYCWLPVSA-N	576.653	6.356	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OC(C)C)cc4)c3C)o2)cc1	409400425	DAMHINHXPQNZIY-OJYCWLPVSA-N	564.686	7.225	50	40	KKGB	
C=CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409405362	SZHKLTYPZAYEFQ-UCMJSZAQSA-N	519.601	6.748	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@H](c1ccccc1)c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2	1857795090	LJVIRCGVEIEVNU-JQMWFGOGSA-N	515.615	5.315	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)nnc1-c1ccc(Cl)cc1	1825704	MRLMJFYFWFXISL-LQKURTRISA-N	506.031	5.440	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1	2053865	RRDLGELOBGTQTL-AJBULDERSA-N	549.096	5.131	50	40	KKGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1	3765712	ILZGLHIKBAINJQ-VFLNYLIXSA-N	536.495	5.840	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)c3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	12250294	SCHDGKJVIIBXAV-HHHXNRCGSA-N	511.603	5.352	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(CC)cc2)=C(C#N)[C@@H]1c1ccco1	20136769	WXTBHQBTWCUYIJ-RUZDIDTESA-N	513.619	5.610	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	59304992	LOLZKZBUWAWZON-KCSSXMTESA-N	514.412	7.783	50	40	KKGB	
C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965704	IKKSORUBYSJUQZ-KNBZMSCYSA-N	542.249	5.303	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C\c1ccccc1	97966445	RIEHAINBJNUITE-MBLFOKAASA-N	611.530	6.584	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)=C(C#N)[C@@H]1c1ccc(Cl)cc1	98048880	QMWPPRHTLZKKFP-NRFANRHFSA-N	551.839	6.212	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100081314	NFZHINFOJVGNBT-FMFFXOCNSA-N	556.732	6.180	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)c2C)cc1C	100081429	VOVIODXLVBWJNO-FMFFXOCNSA-N	556.732	6.180	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)c2C)cc1	100123876	XZBNIMLAQJKGBO-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)c2C)cc1	100127240	KFLZASUPNFPEKX-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1Cl	100231748	CAALQHKUIRSQOV-KKMKTNMSSA-N	531.790	5.573	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	101273226	BYGIDFRWQWGMKD-DEOSSOPVSA-N	528.461	6.099	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1	101705985	OVGQROVYLBGDJV-XDHOZWIPSA-N	528.777	6.378	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(F)cc2)c(OC)c1	102933019	KDZVUCBRJVVOEB-MFOYZWKCSA-N	603.344	5.480	50	40	KKGB	
O=C(N/N=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1cccs1	102977849	KUARCYPEGYTNJX-YSMPRRRNSA-N	540.554	5.152	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1I	103743669	ZXPYKBLUDXRTEI-LGJNPRDNSA-N	515.738	5.159	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)o2)cc1	103754324	WQNBWIOSUFIXLH-WKULSOCRSA-N	554.609	5.614	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCc1ccccc1Cl	103857741	OCXQWZZLGQBQIP-FOKLQQMPSA-N	526.783	5.358	50	40	KKGB	
N#CC1=C(S)N[C@](O)(C23CC4CC(CC(C4)C2)C3)[C@@H]([n+]2ccc3ccccc3c2)[C@H]1c1ccc(Cl)c(Cl)c1	104029443	UETOMYZMPXKZIT-RPJHQNKOSA-O	563.574	6.932	50	40	KKGB	
COc1cc(/C=N\c2cc(Br)c(O)c(Br)c2)ccc1N(CCCCl)CCCCl	104138087	OGDLEBKFMAPJBG-MXAYSNPKSA-N	553.122	6.741	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccc(Cl)cc1	105475517	XTKCDIZYVDQQOS-RPPGKUMJSA-N	532.778	5.671	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C/c1ccccc1O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	118917002	BXTRCTCQZGWSNF-RAKDEMQTSA-N	510.719	5.249	50	40	KKGB	
C[C@H](CCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118917009	QFTUAKDRYLKMFZ-NCSFXYGISA-N	614.625	5.628	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	135764143	SVLRIGQVXGGPSG-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341957	RILPONCKOZVFOZ-JOCHJYFZSA-N	854.552	14.621	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2C)C1c1ccccc1O	150370129	PWGQSENQEPBRGE-UHFFFAOYSA-N	666.565	7.984	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408545518	ZKOVDBRUDLVFSK-ZDLGFXPLSA-N	511.759	5.925	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551655	FCTGJLCKSBACBF-CHHVJCJISA-N	575.792	6.127	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccccc1	408552554	QTNUSOBNOWCHHH-LZYBPNLTSA-N	581.091	7.600	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC	408567898	GRUKEXOCWKUCTA-ZMOGYAJESA-N	523.474	5.030	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1c(F)cccc1Cl	408607407	CPGLKRQSZRIOKY-KVSWJAHQSA-N	548.796	5.226	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1c(Cl)cccc1Cl	408608726	IKIFYHSQXPAXMP-IPBVOBEMSA-N	541.218	5.977	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408642811	NWYGHVHXMDIYOI-NVPYSNMXSA-N	787.310	6.232	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1	408659585	VZCIQBGGPUGFPE-ONBABHLOSA-N	799.321	6.088	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408688659	WLIMODLAEGKPTN-FZDBZEDMSA-N	633.562	5.582	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1I	408742961	CXWDYDMETPLGOS-GDNBJRDFSA-N	600.194	5.405	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408743841	BXLVEUDNOKZBNP-SXGWCWSVSA-N	625.542	7.752	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I	408744262	DSFAOVXIIGSFHK-QPEQYQDCSA-N	636.611	5.037	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br	408745835	AKJHTMFGLMDZMX-GHXNOFRVSA-N	529.026	5.918	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc2ccccc12	408751760	CCNADADIBHLOIU-CPNJWEJPSA-N	578.400	5.824	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(O)c(I)c1)C(=O)Nc1cccc(Br)c1	408763650	QAMDZBJUPJSSAF-WMZJFQQLSA-N	547.972	5.067	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc2ccccc2c1	408790233	OCEGZKUSPOCNBL-WSDLNYQXSA-N	605.388	6.486	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1C	408790573	QETHGUUYCXGMMQ-ZMOGYAJESA-N	501.413	7.888	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(I)cc1	408792351	ASTILURAJQKWOM-RGVLZGJSSA-N	572.830	6.695	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1	408797305	RCAARFWYVSANAB-XDHOZWIPSA-N	507.340	5.281	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408797997	DGJRZRRMHMBOIP-HZHRSRAPSA-N	527.020	7.334	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cccc(Cl)c1	408802426	ZZQRQUCZPVUWCZ-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(I)cc1	408806632	ANIBISZGKMNDMP-WQRHYEAKSA-N	576.793	6.607	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1	408809059	GMCIRNRMJCACON-GRSHGNNSSA-N	621.244	6.004	50	40	KKGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1	408816021	SFSRLBJWMYAFEA-WKIKZPBSSA-N	508.372	5.462	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1cccc(C)c1	408834041	UGZQGCLNKAUJLM-OGLMXYFKSA-N	658.536	8.010	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1	408838764	ICCSVMTVMKCOIJ-MUFRIFMGSA-N	546.377	5.586	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408843932	HNYPVKSBZILJBU-ULPGGUMISA-N	541.117	5.348	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc(Br)ccc2o1	408848921	XFFDZBUDLVHYFS-MNDYBZJGSA-N	578.260	7.454	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccc(Cl)cc2C)cc1	408855288	BUYUOMKBKOKMPK-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408856694	DDUYGXBGBBBFGN-MWBNBJEGSA-N	685.040	6.961	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408865725	DVXPWWIFFHFGTC-MWBNBJEGSA-N	721.457	7.088	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408868680	ARDHIYOCUQOHQA-RQZCQDPDSA-N	504.186	7.031	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c(OC)c1	408873820	WAXQGGHBJWJQIF-KEBDBYFISA-N	507.930	5.068	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3Cl)c(OCC)c2)cc1	408877111	SUTQVRFERUZKFG-FYJGNVAPSA-N	567.867	6.814	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1	408887717	QNYZXBSPXNWJID-HYARGMPZSA-N	561.863	7.779	50	40	KKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)o2)c([N+](=O)[O-])c1	408888989	AGIBBJGVEAIVGU-JLHYYAGUSA-N	515.263	5.014	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1	408892984	DMRUXMZCNFUTOD-LICLKQGHSA-N	576.414	5.922	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(Br)cc1	408893775	HNNMONQDOFBFAF-NTEUORMPSA-N	588.168	6.366	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408898383	KVXSGGPFMYSKNH-ALQBTCKLSA-N	615.192	6.808	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1I	408905256	VZXHEAPWZFXDEA-MRUKODCESA-N	633.078	5.292	50	40	KKGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408912347	NFCJTEDLFYFIKR-WKULSOCRSA-N	523.814	6.364	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(OC)c1	408949134	QMWZQOYCSWMHNX-NDEPHWFRSA-N	793.478	5.526	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OCC)c1	408950801	SKWRVJQUKYUEOL-LJAQVGFWSA-N	671.603	5.856	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408953148	OWHRHAYLRAAFGJ-JAIQZWGSSA-N	597.282	6.677	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1cccc(F)c1	408966816	NPBVUWFVGNWEDM-VFLNYLIXSA-N	514.326	5.341	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1C#N	408970971	FJOZYCBQYHXKLL-CTASPCEKSA-N	724.439	6.860	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	408971064	HAMBKOAPEUAGRM-WUQZZNSYSA-N	522.045	5.287	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc3ccccc23)cc1Cl	408994063	YFACVGUITAGJTO-XKZIYDEJSA-N	531.837	7.689	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409003383	ZTYDQOABATYGGV-DHDCSXOGSA-N	645.562	8.305	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1cc2cc(Br)cc(I)c2o1	409010445	DZSCSGOWGQBKKV-XAZZYMPDSA-N	704.156	8.059	50	40	KKGB	
CCOC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409029472	AFIISEFFUWRNHE-KEIPNQJHSA-N	529.596	6.421	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409034302	HGYRCOLTDGVBTC-FZPRHHONSA-N	707.322	7.520	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccccc1Cl	409041830	VUYAULBWXKDMIF-HQDYHJHZSA-N	647.900	7.511	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)c2nc3ccccc3o2)cc1	409044154	BAWOUQMESCAEOW-MHWRWJLKSA-N	574.250	6.493	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	409060688	SWDMIVCURURVJE-ATZGPIRCSA-N	600.499	6.053	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409082436	SJKWNMVJBGFLDW-RQZCQDPDSA-N	531.874	6.291	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)c1ccc([N+](=O)[O-])cc1	409091037	ORABPFKWSJUDCJ-GATIEOLUSA-N	645.166	5.286	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409093495	ZZJFRSOIHQMNOA-MHWRWJLKSA-N	501.848	6.913	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1cccc2ccccc12	409122710	BCSBTMZWIJYFIW-SSEXGKCCSA-N	677.583	6.805	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)COc3ccc4c(c3)CCCC4)C(C)C)o2)c(Br)c1	409162946	JTYIJYIMJSFRSW-JGYBBDCXSA-N	566.496	5.566	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(I)cc1	409189175	DXZOSOAZVVJCLL-WQRHYEAKSA-N	595.275	5.997	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl	409202062	OMFLSMXDOGEXIP-XODNFHPESA-N	523.869	6.867	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409208363	AZJMYRIFMMYNAV-IPBVOBEMSA-N	588.738	7.239	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccc(Br)cc1	409219063	MUNLRIMKUHVBKB-UHFFFAOYSA-N	655.332	7.390	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409219119	JDUPKOLGWHYSJY-UHFFFAOYSA-N	551.555	5.049	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409223400	FHDZGMNQIQTMFA-UHFFFAOYSA-N	655.730	7.100	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c(OC)c3)c2)cc1OCC	409226125	SYADNURBHYBLAT-AOZXTHQASA-N	652.660	6.036	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409241513	XYVMTOBFFJASNH-BKUYFWCQSA-N	635.727	6.942	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1Br	409252308	RRFBFCNUVKJAKJ-XODNFHPESA-N	589.231	5.067	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)ccc1OCc1ccccc1	409254066	CQTJYRMYSSCBFG-FZKWRIDDSA-N	588.060	6.108	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1cccc(C)c1	409259202	XYAOCEVZGFBKNW-QJOVZPHJSA-N	619.747	7.351	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1	409268151	QQLPNSAIYSYXDQ-MTJSOVHGSA-N	639.446	5.266	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1Cl	409272779	SIARFUWTRDJBNO-BCHBDCPOSA-N	535.771	5.645	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1OC	409318235	VFHNZMUUTNAMLJ-MBTHVWNTSA-N	529.818	6.019	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccc(F)cc1	409320013	OPKNKZCUJQNUFI-HQDYHJHZSA-N	607.476	6.917	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)c1cccc2ccccc12	409324598	UYACJOJMIBMVGL-PDGQHHTCSA-N	539.307	8.386	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409325918	CVRCQTAAYFKTGW-MNDYBZJGSA-N	560.434	5.581	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)ccc1OCc1ccccc1	409326228	ISJZRJGXHURMTF-OHUYPAJKSA-N	602.485	6.127	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1OC	409332704	LSSZEDQVRVBIQJ-UHBFCERESA-N	529.420	6.308	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C(=O)O)cc1	409371298	GJZHTVVNJFSMJJ-OCKHKDLRSA-N	556.312	5.549	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409371688	JYVRRRAIWGNCLN-LSCVHKIXSA-N	595.220	7.548	50	40	KKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1OC	409378798	SCHCIUHGEVKZON-ABTNGYCASA-N	534.632	5.520	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409383034	TUFUZDGLUHAFJF-DEDYPNTBSA-N	564.436	5.728	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(O)cc1	409385087	HIPJCUMVEFMING-CHHVJCJISA-N	552.639	7.240	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409394801	GBMPFTOUVHVKQH-UHFFFAOYSA-N	798.635	9.778	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409394815	GHOZYTNJPXVKPN-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccco1	409395415	NHLDHCDNFXMYTP-UHFFFAOYSA-N	641.703	7.589	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409396378	YARGGIDDHJWPTO-UHFFFAOYSA-N	692.320	7.260	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409398351	SRIWOYAUUPFPHW-UHFFFAOYSA-N	538.003	6.870	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cccc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409399320	ZKUSIBLPLQXVEO-UHFFFAOYSA-N	591.620	6.069	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	1529549236	WMQGDAAUYQMOLX-JYALLGCPSA-N	627.550	5.457	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccc(F)cc1	1531386425	NPXKWUYNNHEAFG-RQRWGXNHSA-N	689.538	6.958	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(SC)cc3)nnc2-c2ccc(Cl)cc2)cc1	1772400	OEZHIGHFUDKXFO-LQKURTRISA-N	538.098	5.951	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccn(Cc2ccc(Cl)cc2Cl)n1	2096542	CQFNCAZAPDYPHI-RPPGKUMJSA-N	518.198	6.025	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1	3044691	QYCMNIQCDOPXSJ-JPSIXQBBSA-N	512.997	5.587	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)c1C	4062784	VMWLHIJSZBWVEA-KBVAKVRCSA-N	550.644	6.942	50	40	KKGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	6141840	LAEPQURHKBUUBM-LGJNPRDNSA-N	526.334	5.033	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Cl)cc1)N2	6445711	NCAUWHCQRGJPCQ-FPVDIDMMSA-N	515.418	6.985	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	9836733	JSLCCATUTJEXQE-KGENOOAVSA-N	503.628	6.032	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3)nnc2-c2ccc(C)cc2)cc1	9836781	DYNALQQPSDNALY-VEILYXNESA-N	506.031	5.537	50	40	KKGB	
O=C(CCCCCCCCCCC(=O)N/N=C/c1ccc2c(c1)CCC2)N/N=C/c1ccc2c(c1)CCC2	19880863	BMBXCYQILKFNFZ-IENBMRAWSA-N	514.714	6.165	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1	59117549	OIRQJRVJLUGXSS-GZTJUZNOSA-N	515.780	6.810	50	40	KKGB	
CC(C)(C)OC(=O)[C@@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1	59605890	NRNKFFAUAOKNQZ-PSWAGMNNSA-N	620.790	5.641	50	40	KKGB	
O=P(Cc1ccccc1OCCOCCOCCOc1ccccc1CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	95100900	VIEFZCHLTFTOED-UHFFFAOYSA-N	730.778	8.206	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	97951887	QWJJRBOSWYYBIV-XMMPIXPASA-N	549.450	5.749	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCC(=O)N/N=C/c1ccc(F)cc1	97966481	BZHRSTLRIICMJS-MWVBGNBESA-N	615.493	6.333	50	40	KKGB	
COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccccc3OCCOc3ccc(C4CCCCC4)cc3)s2)cc1	97969431	PHYXWIAHJDWLFB-PPOKSSTKSA-N	613.740	5.997	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nnc(NC(=O)c2ccccc2)s1	97970916	HDRUZLBAKMYWFV-XDHOZWIPSA-N	530.440	7.164	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl	97980681	NIBHZDHLPULSSI-ZHZULCJRSA-N	528.962	6.149	50	40	KKGB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)C(F)F)ccc1SSc1ccc(S(=O)(=O)C(F)(F)C(F)F)cc1[N+](=O)[O-]	97983015	NMSPXTSHQZZEIA-UHFFFAOYSA-N	636.498	5.566	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1	98048784	FIJJRONBPUETID-GDLZYMKVSA-N	568.699	5.978	50	40	KKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12	100056334	JZYUHJIDGUUHPY-MZFJOGFUSA-N	536.429	7.007	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240600	KRFVPTZQYCVOCT-FMFFXOCNSA-N	608.116	5.672	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)c1ccc(C)cc1	101037789	JDUWVUQTSVUIJM-WPWMEQJKSA-N	521.444	5.033	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccn(Cc2ccc(Br)cc2)n1	101664645	HYOYDNAQHSTKPO-BRJLIKDPSA-N	528.750	5.279	50	40	KKGB	
COc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1	101664977	KKPVYWWXNJMIRJ-OCSSWDANSA-N	537.016	5.198	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2nccs2)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	102139656	KEUDYZPWVHJBIR-JBYIUTFZSA-N	585.054	5.402	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1	102933466	IDBDGXXKRDLWDB-WOJGMQOQSA-N	555.328	5.333	50	40	KKGB	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1	102995325	CDEPEKLLRYZWAC-UHFFFAOYSA-N	520.419	5.084	50	40	KKGB	
CCCCOc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CC(C)(C)CC3=N2)c1	103154203	VDZMFHVYRCDFBP-RUZDIDTESA-N	521.708	7.204	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103883019	KBCVDMQGWUWLBO-UQQQWYQISA-N	586.917	7.090	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)cc1	103890009	ZWEMHBONBFMCII-SXGWCWSVSA-N	566.666	7.543	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	103900362	NXERPOFSGIZHFE-HNSNBQBZSA-N	621.115	5.232	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccc(F)cc1	104898881	LWBPTRPGUXHZDH-MUFRIFMGSA-N	522.374	5.730	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341900	MBWDMVGAVOKPHV-FQEVSTJZSA-N	776.491	13.206	50	40	KKGB	
CCN(CCC[Si](OC)(OC)OC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	195750981	BFSVEUJCJYGSKA-UHFFFAOYSA-N	689.457	5.873	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1	408551449	CUBUHPAHOZKSPI-MHWRWJLKSA-N	545.220	6.319	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1	408611001	VIEHRLDGBRPBKX-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccccc1	408648856	KJGHLZCVYWDCFB-YUEHCAIXSA-N	629.132	5.011	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)cc1	408653876	QBPCRQURPWCFDB-GMQJPKHYSA-N	764.876	5.434	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccc(Br)cc4)cc3)cc2-c2ccc(-c3ccccc3)cc2)c1	408725372	OJEVCUZQDACEAY-HZQMBONKSA-N	641.569	8.620	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1I	408743605	BKEOKPSXENHEIK-ZROIWOOFSA-N	539.167	5.173	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c1	408744543	FWTHDFBJNDJDMM-ZDLGFXPLSA-N	729.150	7.182	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1	408747067	YXRGXJIMDLIHPT-ONUIUJJFSA-N	502.574	6.099	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747953	WCCYARNTHDJPNH-KYHGBAKBSA-N	628.748	6.830	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccc(C)cc1	408769096	NRFAXRCUXFEGCI-UHFFFAOYSA-N	527.731	6.284	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc(Cl)cc1	408785152	YEYYBRRBJZXGPZ-YNFMAFFXSA-N	555.778	6.863	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1C#N	408795670	MOADNWKFPCWOSU-CIAFOILYSA-N	502.368	5.844	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccccc1Cl	408796004	NWXWVKOEFRQZLE-WOJGMQOQSA-N	527.802	6.331	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1	408797859	UABLKGCCXVYGAV-RQZCQDPDSA-N	519.787	7.309	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408798186	VDJYFPNPVABXJR-CIAFOILYSA-N	550.409	6.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1c(C)ccc2ccccc12	408814276	PAJFSXUUUXNXHR-MFKUBSTISA-N	569.499	8.051	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408833399	VADZVYHUWIPMII-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(Br)cc1	408838953	KRBOKBFXMOPOGY-KVAAJVFYSA-N	647.982	8.321	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408839923	BKVQZGMXVYPPHP-DPWJMMOYSA-N	807.330	7.295	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccccc1Cl	408840195	BURQYRBSRGGRNW-IIHBXENTSA-N	700.908	7.444	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1	408843180	QTBVXSZQLFAJLW-RVDKCFQWSA-N	623.440	7.182	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc2ccccc2c1	408845736	RIWSLONVFKJISE-OEPDXVHDSA-N	745.042	9.316	50	40	KKGB	
O=C(N/N=C/c1ccco1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408848714	XXJZAJDPMLYOBJ-BHGWPJFGSA-N	502.777	5.926	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408855724	CSNKJXWPOHWABD-HNSNBQBZSA-N	652.567	5.699	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2cc(Cl)ccc2C)cc1	408860314	YQXBZTPTUPFQEJ-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c2cc(Cl)ccc2C)cc1	408860857	GUOVTAKNFDDLAO-HNSNBQBZSA-N	611.164	5.130	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)cc2)cc1	408863444	RWCADYJDISOXLA-ZCTHSVRISA-N	592.515	5.682	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1Cc1cc(C)cc(C)c1	408869767	TYVIBYJXWVTJQO-RGVLZGJSSA-N	509.831	6.864	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1Cc1ccccc1Br	408872528	FUUJLUIRZTYPLJ-PCLIKHOPSA-N	646.379	8.326	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1Cc1ccccc1Br	408877240	TVHGQSJQUKKHMD-CIAFOILYSA-N	615.309	7.206	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408884658	YTASBCXESBLSIT-IPBVOBEMSA-N	572.670	6.526	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccccc1	408888589	XOLQHNRFTXSQPS-SFQUDFHCSA-N	517.390	5.705	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c([N+](=O)[O-])c1	408889867	KCVPWTPCWDLABG-RQZCQDPDSA-N	583.351	5.407	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1	408890871	HRPXKKIPQDRMOX-KKMKTNMSSA-N	582.676	6.225	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1cccc(F)c1	408894722	IWYASRMORCYTNT-CIAFOILYSA-N	570.402	6.516	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1cccc(Cl)c1	408897547	XVJIBGRUCAZGTP-CAOOACKPSA-N	546.794	7.078	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c(OC)c1	408950962	HWPSFUQXMBBKAK-HVJLQFNCSA-N	764.855	6.173	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408971181	CYMYAPRLMJXPJZ-DPQNAYNPSA-N	586.516	5.826	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409006592	JOJBPEYNYRNMDH-MNDYBZJGSA-N	617.338	5.937	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1	409015949	PWPRBMWGTYSAMF-HNCPLIMESA-N	631.513	5.938	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccccc1Cl	409041315	UWTOWPGEQGEMNZ-HQDYHJHZSA-N	600.900	7.669	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409043693	TWBUJSSNECIASA-VCHYOVAHSA-N	510.377	5.874	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1	409056460	MHWZOXNNAFHJAE-CPNJWEJPSA-N	520.383	5.411	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)Cc2c(F)cccc2Cl)cc1	409072784	SLAKIZUJBFKLRC-DPNNOFEESA-N	580.081	5.708	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	409073201	POPQBHQZOWEBGL-GZTJUZNOSA-N	572.380	5.581	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(Cl)cc5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	409147594	YXELFUNOSAVMTK-JMHKOAANSA-N	594.498	6.197	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)cc2c1	409190573	SIYKUXIRJSPAJO-ACXHZZMFSA-N	641.462	5.925	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)NC1CCCC1	409195005	SBFNJNUOWCEALC-SXGWCWSVSA-N	616.212	5.580	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc(OCc2ccc(C#N)cc2)cc1	409204538	IKHIJMQAOZEWGM-JFLMPSFJSA-N	530.584	5.497	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccc(Cl)cc1	409219182	KENDBCSMDULTRI-NSXLFHFSSA-N	610.895	6.069	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OCC	409219864	QZPKINFHNHEEEH-CAQPMQTCSA-N	576.005	5.966	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1	409226858	WGEZKYZJJWMBGF-UHFFFAOYSA-N	522.517	5.139	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409239364	MHIUGDSJJAHWRN-ZMFRSBBQSA-N	520.196	5.623	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409249850	PGBQGAWAJCLTSW-QREGZJMFSA-N	529.851	7.409	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	409255553	HWOWKOCZWAPSBG-UCMJSZAQSA-N	537.616	5.754	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	409257623	SVEHMMKIUNXXGK-FZKWRIDDSA-N	616.512	6.517	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	409258606	YGDJXFIHZQVZDR-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1	409259416	ZAORHIMTJJWNTP-MHWRWJLKSA-N	589.671	6.428	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)cc1	409262652	GHVQMCJOJPIMKX-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1OCC	409313125	HHKLMDPZVOJRRL-UHBFCERESA-N	529.471	6.133	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)ccc1OCc1ccccc1	409313375	BRNHHNKHLVAWFI-KMUKQRDJSA-N	637.958	7.822	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409315552	JSHTULMRTJNPND-DBFSUHOCSA-N	537.827	6.406	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)ccc1OC	409315954	PBJBCXZKGWXBHQ-QDTIIGTASA-N	552.252	6.506	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1OCC	409317494	UMVVIQOLMPSZEB-ACXHZZMFSA-N	647.364	6.489	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	409322160	KUKPRFUXJVECRL-NTFVMDSBSA-N	572.399	5.216	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC	409326169	HPMAFCPNYYRCDN-MNDYBZJGSA-N	604.885	5.690	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4ccccc4F)cc3Br)cc2c1	409333825	DFUBZTZGAUUYHO-MNDYBZJGSA-N	555.400	6.475	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc(OC)c1OC	409395948	UJCMRVQXXCCTJC-UHFFFAOYSA-N	646.469	6.745	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409396310	XPOUYIUTFWJKJZ-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396379	OGBABRAENKIRMD-UHFFFAOYSA-N	685.789	8.939	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)cc1	409396382	YBDGLFCNXDTJCY-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OCC)c(OCC)c4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397887	PCYBYRYCBAYHBD-UHFFFAOYSA-N	656.135	7.676	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397994	PZBRQPULLRHVJL-UHFFFAOYSA-N	522.561	5.486	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl	1529548136	APGIHIYDSSIIJJ-AYSITGFNSA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	1529548871	OULXQOARIBFQBN-QLGGRFKNSA-N	855.449	5.268	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccccc1C	1531386385	SXKVRDXTHJPMHR-QJOVZPHJSA-N	606.679	6.365	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	1267561	DMWLAZFOXPZUQI-XMMPIXPASA-N	555.512	6.761	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	1769564	LNOGABMXXRPVRH-LFIBNONCSA-N	555.414	7.843	50	40	KKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(SC(F)F)cc3)o2)sc2c1CCCC2	1878000	UDDPPHTTWFZJJQ-OBGWFSINSA-N	556.656	7.704	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)nnc2-c2ccc(C)cc2)cc1	2348247	RDDBTROKECWVEH-OCSSWDANSA-N	523.618	5.353	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(Br)c1	2670152	ROSRBRJBUOASLS-GZTJUZNOSA-N	541.423	5.917	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196250	FUEFMTCTNXHINN-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
CC[C@H](Oc1cccc(Br)c1)C(=O)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1	8384928	OLJIKHZFTMBSOI-VNIQIGACSA-N	503.400	5.610	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	9260575	LKURBTSEYUVBPB-ZBVGTAKBSA-N	522.045	5.613	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1	9762557	YXUVRQUVLLZPJK-VEILYXNESA-N	506.031	5.537	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1	20206862	KQEIYTKCHWNXMB-RDRPBHBLSA-N	528.074	5.481	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(F)cc2)cc1	59856331	HXZQEGYDECKOSQ-FDAWAROLSA-N	536.028	5.947	50	40	KKGB	
COC(=O)c1c(NC(=S)NNC(=O)[C@@H](C)Oc2c(Cl)cccc2Cl)sc(C)c1-c1ccccc1	97945893	KDBBBIABHJMWPZ-GFCCVEGCSA-N	538.478	5.602	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)SCCS1	97965461	LJBOUCHGDSDESI-BHGWPJFGSA-N	623.230	6.590	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100239990	UIJZUEYRJVTCSU-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)cc2c1	100377998	LXTQILZFLKHFLC-AQLQTECXSA-N	561.849	7.533	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)c3ccccc3n2)OC(N)=C(C#N)[C@H]1c1ccccc1F	100986184	BHNLOBCCARXOCH-RUZDIDTESA-N	538.604	5.853	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)NCCc1c[nH]c2ccccc12	101712031	OURMINFUNSPSKA-WJDWOHSUSA-N	526.843	6.594	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1	103743021	WMJCRUFJIUJRLZ-CKVBZJJFSA-N	522.424	5.093	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc(F)c1	103883646	KKYNUOIPXQFVQU-JCMHNJIXSA-N	550.428	5.432	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	103883987	JBXYEDAJWNGOOQ-HMAPJEAMSA-N	570.904	6.880	50	40	KKGB	
CC1(C)CC2=NC(SCC(=O)Nc3cccc4ccccc34)=C(C#N)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1	104088552	RJWIIPGVCLWRSY-HHHXNRCGSA-N	528.077	7.771	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1	105436860	BBGNVYZKNXUQSO-PPOKSSTKSA-N	563.679	6.073	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@H](Br)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1	138832444	DZSQSWJRXRUNRM-XNMGPUDCSA-N	573.399	6.392	50	40	KKGB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)ccc1SSc1ccc(S(=O)(=O)C(F)(F)[C@H](F)Cl)cc1[N+](=O)[O-]	150387086	BNMGCSHVGWVURB-OKILXGFUSA-N	669.408	6.104	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795322	RJZVSTZWRRNYFZ-RKDXNWHRSA-N	616.059	7.720	50	40	KKGB	
C=CC(=O)OCc1ccc(CC[Si](C)(C)O[Si](C)(C)CCc2ccc(COC(=O)C=C)cc2)cc1	196575850	MXNQCHKMKWZSTB-UHFFFAOYSA-N	510.779	6.357	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	209404832	AQRVLUYFBSEKCL-YDZHTSKRSA-N	533.263	8.316	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc2ccccc2c1	408548988	OXHQRKYMWLDKQW-WGARJPEWSA-N	663.296	8.845	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552793	VJHFCXASNFZSRT-RQZCQDPDSA-N	587.326	7.693	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408567894	QFIQIYZLOPQZQS-IDUWFGFVSA-N	507.750	6.633	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408640339	ASXSTAVFWDIDPX-PAADORIXSA-N	622.741	5.137	50	40	KKGB	
C[C@H](C(=O)O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408647222	BIXFENVCQMHTDE-INMOIOBBSA-N	631.339	6.045	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408678006	WVGWHQBPZDXZAS-MUFRIFMGSA-N	587.312	6.163	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@@H](Br)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	408685167	QGFHOWMNMXDFDJ-AHKZPQOWSA-N	573.399	6.392	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccc(Cl)cc1	408723280	PWJHQNLRMVWNRQ-LKANYEMDSA-N	566.444	5.960	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408726180	QRHHFOOBTWDFRV-WQRHYEAKSA-N	542.227	6.345	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)c1	408741156	KJEQZDDHXDXIQN-GZTJUZNOSA-N	504.455	5.248	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408747283	LOOZBXKGRJRPAT-HNSNBQBZSA-N	549.454	6.357	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OCc1ccccc1	408749286	NCUDHDLHIBBPDY-RDRPBHBLSA-N	565.411	5.824	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc2ccccc2c1	408750452	NDUYGNULRHQYKI-QCFMCPCVSA-N	530.624	6.204	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)c(OC)c2)cc1	408776840	ZVKXDPNBTMSOFF-NDENLUEZSA-N	570.281	6.907	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408787525	BHOBNXPNZAUTBH-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408788610	DWDIISPOCHJZPZ-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795829	NGDYUCGSFICHID-VIZOYTHASA-N	537.186	7.333	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C(C)C)cc3)o2)cc1	408822089	AJSFBHZRYDKABK-OHUYPAJKSA-N	607.132	5.845	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OCc3ccc(F)cc3)cc2)cc1	408823473	DMCRGFFGYBGBBG-PCLIKHOPSA-N	526.995	7.491	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	408828070	KWAALBDFJKSDEM-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408830749	YUWYOPRYDXMUEG-SRZZPIQSSA-N	632.758	9.657	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(F)cc1	408836877	WNHWYGKQJOZVLB-KOEQRZSOSA-N	557.021	7.581	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1	408839132	NOJBOUFKDWWYSV-UCXQNJRISA-N	568.427	6.084	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)o1	408839745	WCEDWEHMCVMLDC-OKCVXOCRSA-N	553.600	6.803	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)O	408841367	FMURJBUFOZKUKF-VFLNYLIXSA-N	642.475	5.703	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(Br)cc1	408842935	KNACUFHCSAAKGQ-IZYHBKOJSA-N	720.487	9.129	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl	408853496	UTBPXHQXTDABLL-MNBJERMJSA-N	502.401	6.535	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccccc1	408860973	JVHWNABKGXGOMW-LQKURTRISA-N	552.996	5.162	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408861867	BKAGYURFYNZGNL-FMFFXOCNSA-N	624.184	6.385	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1	408868379	OHFLPAFORWRIHS-FJEPWZHXSA-N	592.888	6.261	50	40	KKGB	
Cc1c(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc2n1Cc1ccc(Br)cc1	408868834	NMRNOBXAYMUPNH-JJKQSNDFSA-N	659.393	7.272	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(Cl)c1	408877571	VUZDNYXFETWHMD-CAOOACKPSA-N	612.773	7.097	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Cl)cc1	408884185	WEEXSOPNAHQXQU-MHWRWJLKSA-N	521.809	6.269	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)c1cccc([N+](=O)[O-])c1	408894094	IXDPMUFGDXGDPM-JFLMPSFJSA-N	518.323	5.494	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	408921879	KALIKIRHBNTYSQ-BIZUNTBRSA-N	578.090	5.658	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1C	408926164	VQWBISINKMFQEW-QGMBQPNBSA-N	560.821	7.387	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408948554	CUDREHUFNCWSOI-FDVSRXAVSA-N	568.265	6.716	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(Cl)cc1	408954656	ZJZQBHZVTJFCHH-NDEPHWFRSA-N	702.027	5.575	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408956695	XZNCCHOPUMRZOL-NDENLUEZSA-N	591.437	5.361	50	40	KKGB	
CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1	408961637	UHNHIDUYUGDLQD-DHRITJCHSA-N	577.220	5.421	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1	408995371	BVBCLZFCPBIRLE-VTNSRFBWSA-N	562.409	6.237	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409014002	OKRRIBYLBCALGJ-LIMNOBDPSA-N	670.921	6.488	50	40	KKGB	
Cc1ccnc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)c1	409018412	WSNHYQQGQNDQAN-KBKYJPHKSA-N	577.220	5.675	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCC(=O)Nc1ccccc1	409022469	PHRWNAMVTJFBJS-NUJZUDFISA-N	526.376	5.920	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1cccc(F)c1	409029877	BVNHENRYTKCGOL-HQDYHJHZSA-N	631.445	6.997	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(C)cc1	409035048	OYMYPWQXOOKPDP-OJYCWLPVSA-N	594.509	7.714	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCC(=O)Nc1ccccc1	409039621	CTMICRYBPSOLMW-GZTJUZNOSA-N	550.356	5.258	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(C)cc1	409053872	RIPBYYZBYFXXLN-CCVNUDIWSA-N	515.835	6.461	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(F)(F)F	409061768	HTPAXHXPFNRDOD-PNQUVVCRSA-N	578.827	6.007	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1	409086357	ZGVKEUDGKARRKP-AWNIVKPZSA-N	567.263	7.167	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1	409093401	ZQPIKQVMDCSXIB-XNTDXEJSSA-N	539.298	5.612	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409123606	HPQXYHZTNAAFKJ-HSZRJFAPSA-N	624.306	6.306	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1	409153886	NWJXHKQNIXFSQU-WCMJOSRZSA-N	678.911	5.238	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4cccc(C)c4)c(I)c3)cc2c1	409187080	LSRXDYUVMTWXLP-NUJZUDFISA-N	680.280	6.692	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1	409192956	HOQGQFRBNSJCHY-ORBVJSQLSA-N	612.282	6.674	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409220898	HMSOQFWXVKQJQP-HBEGMLAUSA-N	503.986	5.541	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1	409223856	GBFWBSOCSVORER-LBRHQESJSA-N	555.472	7.364	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc(Br)cc3)cc2)c1	409224276	JQGYOZNWRKAXCQ-KYHGBAKBSA-N	590.861	6.646	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c2)c1	409224567	LDCZTEVFVUFVCX-UHFFFAOYSA-N	556.416	5.993	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1OCC	409225580	PUXVVNGNNBNOJV-ZXSNDDASSA-N	610.623	5.557	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1	409250079	PMYWLYHNLVBQGL-IWEBCOIVSA-N	574.700	7.228	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1cccc(C)c1	409250301	WWFKHZNMDMUYGP-MBTHVWNTSA-N	546.380	5.409	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Br)c(C)c1	409261302	CPBCGPLHOYHCOF-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	409268483	UINROXQFBQVSLF-ZRGSRPPYSA-N	590.228	5.210	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1	409271240	KXMVSQLEPNJZPU-ZMFRSBBQSA-N	545.231	5.301	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)ccc1OCc1ccccc1	409313399	BTPWXAKXEXDLSH-MZFJOGFUSA-N	515.009	6.661	50	40	KKGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3Cl)=C2C#N)cc1	409315176	IABIYIWDHPNUSQ-OAHLLOKOSA-N	522.877	5.535	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OCC	409318485	VZLNZBSZXROUHF-MNDYBZJGSA-N	544.435	5.881	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OC)c(Br)c2)ccc1OCc1ccccc1	409321033	RKJHXWTUQSGQNJ-ZMFRSBBQSA-N	548.231	5.572	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409394578	CKMWOTYKHRQMKS-UHFFFAOYSA-N	612.436	6.318	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409394857	GUDLOFOALJNMDN-UHFFFAOYSA-N	730.240	9.049	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409394895	HDYOTDMOVKATHE-UHFFFAOYSA-N	684.805	8.607	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccco1	409395216	LCDHBAMYHLRFDV-UHFFFAOYSA-N	546.352	6.313	50	40	KKGB	
C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](OC(=O)c3ccco3)C[C@@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl	504703299	MJDGUHJEIVTMQZ-MCIZDNCKSA-N	615.506	6.327	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	1529547946	SCMDTGGQAKWOFB-XINRNAFCSA-N	689.991	5.706	50	40	KKGB	
N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	1454141	YBOJNCBOZHNQAS-LFIBNONCSA-N	524.389	6.285	50	40	KKGB	
Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(Cl)cc3)C2=O)c1	1790734	LXTAHDYNFKSBBH-YDYXIROLSA-N	552.881	6.476	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)n2-c2ccc(Cl)cc2)cc1	1819958	KTOXOTVEGCMDMV-LQKURTRISA-N	505.047	5.205	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cccc2ccccc12	2097754	NTYCECDLHKACFD-IUUQDGFPSA-N	596.498	5.465	50	40	KKGB	
O=C(c1ccccc1OCc1ccccc1)[C@H](Br)[C@@H](Br)c1ccc(Cl)c(Cl)c1	3129281	LSRGURPJYDJEJE-LEWJYISDSA-N	543.082	7.655	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)c1	8425352	LFCGRZVNJLBFCQ-FPVDIDMMSA-N	516.406	7.195	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccccc1	12250220	NULFVFBAGPBFTO-MHZLTWQESA-N	516.667	5.212	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc(I)cc2)o1)C(=O)Nc1cccc(Cl)c1Cl	59335997	WVAZZSVORKTNJX-RAXLEYEMSA-N	509.130	6.404	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc4ccccc4c3)n2-c2ccc(OC)cc2)cc1	97959518	GIYZQFBUIWKLQQ-AJBULDERSA-N	537.645	5.737	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(=O)c1ccccc1	97962138	HMUSSEGNGCCNCL-HAVVHWLPSA-N	528.568	5.884	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)cc1	97965297	QXWRRRILTSWXQA-XAZZYMPDSA-N	535.899	8.150	50	40	KKGB	
Cc1nc2ccccn2c1[P@](=Nc1c(Cl)cccc1Cl)(Oc1ccc(Br)cc1)c1ccccc1	97984558	QWALFJXEMXOAGJ-UUWRZZSWSA-N	571.242	8.190	50	40	KKGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)c2ccccc21	98008424	ISDHYCCWWLGPJC-HKBQPEDESA-N	531.572	5.395	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3Cl)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048747	RQANSUYEYXYHJZ-HHHXNRCGSA-N	561.063	5.761	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1cccc(Br)c1	100063353	BHOPSRZNVKADQP-WGOQTCKBSA-N	534.863	5.223	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122271	NWLGGLDEIHUDFB-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	100261130	WYOAFPZNNWYNMX-KIBLKLHPSA-N	541.236	5.237	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl	100326874	BOSPNICEBXVOJS-LGJNPRDNSA-N	532.778	5.291	50	40	KKGB	
O=C(Nc1nnc(S[C@@H]2C[C@@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)s1)c1cccc(C(F)(F)F)c1	100406450	KZQUGOZMDNOEQK-OWYHZJEWSA-N	569.472	5.938	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(Cl)c(Cl)c3)n2-c2ccc(Cl)cc2)cc1	100851925	DXOLVLZMSNBYPQ-WKULSOCRSA-N	560.894	6.536	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)n2-c2ccc(Cl)cc2)cc1	100858377	QMLUGJDNSLJGPZ-APTWKGOFSA-N	584.101	6.418	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(Cl)cc1Cl	100974231	VWRBQPNUOUTLKP-MNDYBZJGSA-N	557.528	6.265	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccccc1Cl	101042332	COFSRAJJGMXXLI-SANMLTNESA-N	560.075	6.117	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)c1	102588513	UBLYVFZDWVAPTI-XMMPIXPASA-N	508.043	6.626	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1F	102719118	UALFRUXETJVXNR-MHZLTWQESA-N	607.505	6.303	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103889729	KINXMVNXZWYQNL-MTJSOVHGSA-N	599.255	7.876	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1C	103899446	KMDWMWNNGVFJSF-VVEOGCPPSA-N	555.022	5.299	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	150365938	WAFVLXQIHVZNON-NNLKUIAGSA-N	639.221	7.832	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2I)c1	150568821	VGTSDEIBQBEWAO-OCKHKDLRSA-N	664.237	6.027	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)cc1	164735586	KHEFRPPXGPYUSC-MFOYZWKCSA-N	642.118	7.794	50	40	KKGB	
C[P@](=O)(Cl)N[P@@]1(Cl)=NP(Cl)(Cl)=N[P@@](Cl)(N[P@@](C)(=O)Cl)=N1	195529372	SBQOCTGVBJDWIO-QGZVKYPTSA-N	501.707	8.096	50	40	KKGB	
CC(C)(C)[Si](C)(C)O[C@H]1CC(=CCP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)C1	196829451	LOVRVVSIBIVFTN-NSOVKSMOSA-N	570.903	8.892	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)OC)cc3)cc2OCC)ccc1OCc1ccccc1	408537434	FBYXWABXRHLBLQ-QRQIAZFYSA-N	641.120	7.628	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408539355	VTWJWSNLUQLRPA-PMHDSTOGSA-N	719.263	9.536	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539640	XUNQRNWHTQTFBD-OGLMXYFKSA-N	548.639	7.024	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccc(C)cc1	408543789	TUPRGINYTHGJAV-NHDPSOOVSA-N	535.394	5.979	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1I	408551972	QGOSQMXXGHXZGJ-RIYZIHGNSA-N	639.256	5.265	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(C)cc1	408570161	SGBLGJGEZRGWHB-LQKURTRISA-N	508.665	5.590	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	408579878	KZLDWXMBAUDOTF-VCHYOVAHSA-N	515.824	7.436	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5[C@H]6C[C@@H]([C@H](Br)[C@H]6Br)[C@@H]5C4=O)c(C)c3)CC2=O)cc1Cl	408641199	LBLXNTAUJMTNLK-RDTSNHQASA-N	664.778	5.198	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408676461	DCPVISRYIAMPOF-DJQNJWNESA-N	586.202	5.240	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408689719	YXHICNDXEWTYGD-YVSFHVDLSA-N	623.556	6.126	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)Nc1ccc(Br)cc1	408745416	RXUJJQAQWGKBJJ-NCELDCMTSA-N	578.897	8.773	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1Cl	408772317	NXWZILAACWEDEZ-MOHJPFBDSA-N	502.014	5.573	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(C)cc1	408775768	UTSCTNIVBHGUND-NDENLUEZSA-N	556.375	6.262	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408791799	CQJSZXIXCCNRBP-ZVHZXABRSA-N	527.418	7.044	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	408793585	FUZHEAYOJRYZTJ-CAOOACKPSA-N	578.663	7.437	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC	408796022	NZXMNFORCKXIAI-OQLLNIDSSA-N	552.219	5.098	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408798764	WVOJXWIYHUDXEG-VIZOYTHASA-N	508.188	7.130	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1	408820463	XWXMPZFJJBDUSI-CFRMEGHHSA-N	517.412	6.958	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1	408838512	FVLZQWZQEMVUCZ-CCVNUDIWSA-N	511.434	6.290	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1cccc(C)c1	408838910	JZWPKMVCFSIECY-IZYHBKOJSA-N	631.585	8.911	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839059	MGTMTIAZVIXAJQ-CDLBOOTPSA-N	840.912	9.912	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc([N+](=O)[O-])c5)c(Cl)c4)cc3)cs2)cc1	408839208	OTTXSJYJUUWMRF-ATZGPIRCSA-N	598.084	7.767	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1	408846998	LVENXANHQKEYMT-WBIBEUCMSA-N	755.369	8.144	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)S(=O)(=O)c1ccc(C)cc1	408863833	QLAXWSXJAIRKED-FMFFXOCNSA-N	556.732	5.927	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	408876446	LEIIBDYAKLTXTH-UZWMFBFFSA-N	562.091	5.827	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1C	408881361	MUNNZYMHLVOIHK-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cccc(I)c1	408884230	WJAHTWYKISOVGS-GZTJUZNOSA-N	528.733	5.709	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408887132	OEDCDWSPALQHQE-LUOAPIJWSA-N	587.095	6.627	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Br)cc1	408888741	ZXIKDBLCNXCQRE-XDHOZWIPSA-N	526.228	6.645	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Br	408890604	WITYCQHJQOSBJE-RQZCQDPDSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408890775	YZDFBCYYWFKCSP-FYJGNVAPSA-N	551.857	8.323	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OCc1ccc(C)cc1	408891805	VQYCJHMHPFJRHB-VXLYETTFSA-N	696.177	7.566	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1ccc(Br)cc1	408894100	IXWPGQRAHXFQAH-LICLKQGHSA-N	591.097	7.099	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cc(C)cc(C)c1	408898520	MBKUDAUTQBHLLF-UFFVCSGVSA-N	539.857	7.161	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408899148	ZLQUZBBJOONZDE-LDADJPATSA-N	566.238	7.674	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1cccc2ccccc12	408900104	SRQOLMUTBCRPHO-HMMYKYKNSA-N	531.395	7.310	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408900341	VEVFDWXSTDBXET-FYJGNVAPSA-N	525.026	5.977	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)ccc1Br	408903882	AUURHMZKVPGEMH-FDVSRXAVSA-N	567.281	7.408	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1	408946394	MTTIXPCJZIQTEI-MUUNZHRXSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2cccc3ccccc23)cc1Br	408947536	NXFCDFFXYUJSTA-MGBGTMOVSA-N	717.642	6.075	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)c(OC)c1	408952291	JYAAAAIAMFRTGC-KLOQDLPISA-N	651.116	5.046	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408953094	OSKXJRSXVFPTJU-XKZIYDEJSA-N	634.474	5.373	50	40	KKGB	
COc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1	408953172	OPWAISJJGLUMIJ-WYMPLXKRSA-N	564.177	5.363	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408955822	PJQDZMUMPSVFSX-RZNGARSMSA-N	641.508	5.301	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)c(OC)c1	408956682	RNODLNVZMGEUPV-CJPARAFHSA-N	777.012	5.651	50	40	KKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)cc(OC)c3o2)c1C	408959663	CUDDYJKAIGOGOL-CCVNUDIWSA-N	508.416	6.246	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1C#N	408964329	QUFYVTIJTRETDP-XAZZYMPDSA-N	501.892	5.972	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1O	408969120	HOBONFMALUJINS-ZWDQDQBUSA-N	584.500	5.471	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408970962	BNDBPWUEELOGRX-GWSWIJHGSA-N	748.299	7.743	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1	408982478	HGMURGXEVZEQSU-WSDLNYQXSA-N	566.282	8.342	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2Br)cc1	408987464	OVNMSMDEYOPRGZ-GRSHGNNSSA-N	574.700	7.607	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)Cc2ccccc2F)cc1	409005715	KFDFWLSWYXFQFM-BIZUNTBRSA-N	545.636	5.054	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1C	409027274	FAMMWBAYCKCUOT-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1Cc1ccc(Cl)cc1Cl	409029555	BMKZJNRSJXBIRM-ODNPBWNPSA-N	563.488	8.284	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12	409040754	ULEGHVAUGCSNKR-KVAAJVFYSA-N	788.221	8.216	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(C)cc1	409053143	XVCMPYILPXDWEK-CCVNUDIWSA-N	562.835	6.303	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccccc1Cl	409082876	REYMBHBJYUUGIV-NTUHNPAUSA-N	622.613	7.019	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)OCO3	409094627	FBKMYMSZXGJDRB-QFIPXVFZSA-N	695.207	5.330	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	409132539	QFXWZOPLFWCEHW-FQEVSTJZSA-N	567.210	5.992	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cccc(Cl)c2)cc1	409134461	SYSNLDOSCFSMMN-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)C2=C1CC(C)(C)CC2=O	409148786	RSLKCZBJBYCSGT-SANMLTNESA-N	635.386	6.726	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	409162855	ISGRDIRZTAGZGW-MHDJOFBISA-N	727.383	6.282	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409186892	JDYRONAKBAAUAY-ZDLGFXPLSA-N	560.673	7.298	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)cc2c1	409188007	WGLOMXLDQRMCCB-FTCYSYDXSA-N	596.692	7.897	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1ccc(Cl)cc1	409196220	XUDCVLHHGYDRFO-KBKYJPHKSA-N	604.069	6.703	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(NC(=O)c4ccc(C)cc4)c3)cc2OC)cc1	409217275	AWQNAAOKHSIXNB-UHFFFAOYSA-N	537.572	5.248	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1ccc(Cl)cc1	409219179	KENDBCSMDULTRI-AXBAISPRSA-N	610.895	6.069	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(C(=O)O)c1	409222211	WBADBWVENVFLFA-GRSHGNNSSA-N	589.364	6.689	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409234592	NZGROJQBDGJMJH-UCQKPKSFSA-N	596.421	5.233	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccc(C)cc1	409244872	JXRSGLGXFKVRPL-IWIPYMOSSA-N	519.439	6.001	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OC	409313739	DBASGEWDAXPKRG-CAQPMQTCSA-N	577.475	6.751	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)ccc1OCc1ccccc1	409314758	HDKGMXHQPSHPLO-ZMGVVAQMSA-N	580.424	6.832	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1	409373521	ULUHULQWXOBZQD-VYYCAZPPSA-N	591.256	5.790	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1ccc(Cl)cc1	409382491	NPADOZIUPDTXPF-WJDWOHSUSA-N	528.765	5.805	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409383622	YKFBYESKZBBLPP-PPDIBHTLSA-N	579.220	5.141	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc(Br)cc1	409395103	JYAVUEGJZKUTFW-UHFFFAOYSA-N	765.083	9.412	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409395280	LXKXBWNROHHEKS-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)[nH]c12	409395610	PSXRVEPYGVGSCA-UHFFFAOYSA-N	667.310	6.953	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3cccc(C(=O)O)c3)o2)cc1	409400268	CKRGJCINWASFBF-HQDYHJHZSA-N	608.607	6.215	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccccc1C#N	409404374	QAIVEMGRVQRLLB-UUSDDZCZSA-N	746.456	8.404	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1	2705822	UDMXJAWXBMSGPJ-MUFRIFMGSA-N	549.494	5.688	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl	2801926	LHDZVHOCDHWIKJ-NUGSKGIGSA-N	504.620	6.917	50	40	KKGB	
Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1	3144801	XWGZLJBILDXYIY-LUOAPIJWSA-N	570.322	6.174	50	40	KKGB	
C[C@@]12CC[C@@H]3c4ccc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)Cc1ccc(N(CCCl)CCCl)cc1	8101100	LRSFXIJGHRPOQQ-QQWLIWAZSA-N	788.684	9.413	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1	12273820	FSTUPNAWHGZBMT-IYQUHZLLSA-N	516.066	6.639	50	40	KKGB	
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2ccc(N(CCCl)CCCl)cc2)c(OC)c1	19325266	SIZPFPPUXOXILC-UHFFFAOYSA-N	602.603	6.412	50	40	KKGB	
CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Br)/C(=C/c2ccccc2Br)C1	20528759	CEKAVJKMBDFHIL-VPFXQZGESA-N	513.233	5.302	50	40	KKGB	
CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3cc(Br)c(O)c(OCC)c3)CC(=O)N2C1	29749421	JENICOFCSQVJIP-INIZCTEOSA-N	530.444	5.172	50	40	KKGB	
c1ccc(-c2nnc3[nH]nc(N=P(c4ccccc4)(c4ccccc4)c4ccccc4)c3c2-c2ccccc2)cc1	95681949	ADLDVGDFIZNUQP-UHFFFAOYSA-N	547.602	7.496	50	40	KKGB	
O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C\c1cccc(OCc2ccccc2)c1	97951690	OJKKYUHRBKDHLJ-VYYCAZPPSA-N	541.123	6.305	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	97962824	OMEWHQJZBNRZIO-MWBNBJEGSA-N	596.030	7.011	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	97980238	FPPZGXODRBKBGF-KGENOOAVSA-N	548.039	7.338	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999840	ZMCUOSJHYIKMMI-JGCGQSQUSA-N	595.721	6.380	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)N1	98048498	QURCZCNCQGUAAB-SANMLTNESA-N	532.065	6.809	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc(Cl)c1OCc1ccccc1Cl	100231811	PQKIYXLCQLDMPS-FJEPWZHXSA-N	584.485	5.768	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100287724	GODCGMOLCRRUOY-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)sc2c1CC[C@H](C(C)(C)C)C2	101043901	SWGHYTCSVZYUBF-YKRMCXMESA-N	519.736	7.793	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Br	101284112	QRIMMLZTEPSYKZ-CCVNUDIWSA-N	569.253	5.395	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)c1	102634238	HSCJGEQTTUQXAB-VZQSUIEHSA-N	550.851	7.848	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1/C=C(\C#N)C(=O)Nc1ccccc1Cl	102970453	WBNXDZRBOVPWSO-OBGWFSINSA-N	533.813	6.935	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1cccc(Cl)c1	103754378	MGDFKIXJSFTRSL-FMFFXOCNSA-N	564.070	7.173	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	103889633	YCGDAQCXDXUHFX-UUASQNMZSA-N	536.198	7.154	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2)cc1	103898714	MVRFJKVMBAKNCL-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
COC(=O)[C@@]1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C)/C(=N\NC(N)=O)C1	104074144	UEHPPJREDWXIJQ-KKYJSQFHSA-N	581.798	6.447	50	40	KKGB	
CC[C@H](Cl)CO[P@](=O)(O[C@@H](c1ccc(Cl)c(Cl)c1)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC)[C@@H](CC)CCl	150385745	HTNSEKFWRQMWCT-BSMNVZBWSA-N	683.201	10.514	50	40	KKGB	
Br[C@H]1c2ccc(cc2)[C@H](Br)[C@H](Br)c2ccc(cc2)[C@@H](Br)[C@@H](Br)c2ccc(cc2)[C@H]1Br	150655129	ROADCQZYTJDZRQ-STZFLSNASA-N	785.832	10.717	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(I)cc1	164704194	BBESHZZSYZDXMC-JCMHNJIXSA-N	658.334	5.897	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795473	URTMFKIJJSLCIU-KDURUIRLSA-N	856.343	12.891	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	198319191	JBVRJOCYAUCBAY-XJECJHNESA-N	636.479	6.937	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c(C#N)c1C	408546026	COEQNOYIEQBKRM-FYJGNVAPSA-N	542.060	6.789	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(C#N)c1C	408546979	PVNJUNZADPCPSG-YBFXNURJSA-N	536.451	5.994	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	408550687	IZJNIWWXWWESIO-ZSOIEALJSA-N	533.391	5.056	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1	408552138	HOKRZFQLZJOCBF-CXUHLZMHSA-N	536.640	7.491	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408554642	SMZZXXYPZDHYCR-YVLHZVERSA-N	603.256	6.106	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cccc(Cl)c1	408598976	MPTRHJNHHXXPIY-IUXPMGMMSA-N	632.066	7.846	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(Cl)c1OCc1ccccc1Cl	408602359	DDTXVGJXXLMODK-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OCc1ccc(Cl)c(Cl)c1	408613191	ZQFOKKCAEITMIG-GOSISDBHSA-N	514.409	5.386	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408650249	LZVVTXUSGXRVRJ-JFWOCSMOSA-N	657.186	5.708	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Br)cc1	408738074	MWCCMWDZAMAQTK-RDRPBHBLSA-N	502.412	5.243	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408741771	KYZSMABBKWVXRX-WQRHYEAKSA-N	508.328	5.491	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408745782	AFLGNTPVKZGNLQ-KYHGBAKBSA-N	659.293	6.158	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408747115	ZRNDUNBSYKBVRS-SXGWCWSVSA-N	766.542	7.278	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408753008	KQJOHLZRSURMED-YBEGLDIGSA-N	562.387	5.614	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408753662	HCYSHBVEHFFPRV-JBIOKXMTSA-N	602.551	5.188	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408765352	VLOLZLUZQHYCDR-APSNUPSMSA-N	611.117	7.652	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408766002	NSNCGTHPBWQXGA-LLJCYPMUSA-N	678.752	9.197	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408788287	CAORXFUUAKBPPV-AFUMVMLFSA-N	690.335	7.629	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(C)cc1	408789767	LDGOKSGHTRZXCI-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)cc1C	408797601	SNNAILLUCPOALI-UDWIEESQSA-N	526.349	6.172	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(C)c(C)c1	408801024	SEXZMGALGIUTTO-SRZZPIQSSA-N	539.857	7.243	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408805048	CSIPCNCKDVIWTL-OEAKJJBVSA-N	632.454	6.673	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)c(C)c3)c(OCC)c2)cc1	408815694	TWSSXXBXLQQQSC-ZVHZXABRSA-N	533.024	6.657	50	40	KKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408818522	XDDGIDYIKHLGFF-BLGABIECSA-N	532.276	6.392	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OCC	408822400	BGKNAVFHHHOABZ-KGENOOAVSA-N	523.416	7.082	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408823011	CALWORGHSCIPJZ-HZHRSRAPSA-N	663.322	7.823	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	408826614	HQKCWCKXKADVOR-VNNSTJBXSA-N	556.087	6.457	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408836419	RABMBNFMCNQSFJ-HZHRSRAPSA-N	591.864	7.945	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408837234	AOMIMYRKDIRADA-RUMWWMSVSA-N	605.514	5.437	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408838263	UBWDYFIOQJCYGD-ZHZULCJRSA-N	600.911	7.177	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)cc1	408841391	IRRUSPSKFGAJNQ-XAZZYMPDSA-N	555.582	5.792	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(C)cc1	408842077	IJKFCCMSGTWZRE-MWBNBJEGSA-N	641.591	8.285	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408844221	OWXLRXKVTKYGNN-JJKQSNDFSA-N	711.460	6.699	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OC	408847783	UQBRVEPUCQCSSG-XODNFHPESA-N	618.884	6.593	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCC(=O)O	408849484	ZDSSLACOQDUUSB-VVEOGCPPSA-N	629.920	6.596	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccc(Cl)cc1	408859244	RGZMIEDOCYLUGI-IURWMYGYSA-N	621.930	6.829	50	40	KKGB	
COc1cc(C)c(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1C(C)C	408867715	JWZYKKFNMRXCJB-NSKAYECMSA-N	523.442	5.638	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OCc1ccc(Cl)cc1	408878902	BPGOXXUMFJTXKO-RQZCQDPDSA-N	716.595	7.911	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408888164	XKSKYSRFSRUKJT-NTEUORMPSA-N	563.331	5.123	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Br)c(OCC)c2)cc1	408888852	BVJZJIJFOMWZFU-FYJGNVAPSA-N	628.317	6.912	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1OCc1cccc(Cl)c1	408889648	IKTXVMNCUUFLLD-CXUHLZMHSA-N	532.767	6.688	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1	408941473	DRSFJGPCWAMOFK-MUUNZHRXSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1	408947740	OCTCWBVRHCCAQC-QNGWXLTQSA-N	683.834	7.005	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCCOCCOc3ccc(C)cc3)c(Cl)c2)cc1	408972021	ODOHIBSYEVPIEQ-RCCKNPSSSA-N	541.431	6.331	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5Cl)cc4s3)c([N+](=O)[O-])c2)n1	408988294	DEEGWXRNLYQEJW-XDHOZWIPSA-N	615.096	7.322	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408991150	ZHVSDJCGEIGZOR-VIZOYTHASA-N	634.770	6.416	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1	408994506	ZMVDRQZZSWIVPY-KIBLKLHPSA-N	578.415	6.100	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)cc2)S(C)(=O)=O)cc1	409024787	HHEJKKOBOYIMCA-FMFFXOCNSA-N	584.698	5.051	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)ccc4OCc4cccc(Cl)c4)cc3)cs2)cc1	409034411	QOCWIJRBKOSSCP-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccccc1C#N	409043106	ZLPQKASRRKETAF-KMUKQRDJSA-N	547.014	6.778	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409088840	KROYZHAUTHQWGO-KGENOOAVSA-N	595.530	6.865	50	40	KKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	409121889	YZUQSVDERCMJJN-UVHMKAGCSA-N	508.471	5.205	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409157873	NPRKNBHQBZNBLZ-XAZZYMPDSA-N	546.933	5.028	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C	409167513	IIGXSESQKNDKFB-XAZZYMPDSA-N	662.912	5.375	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409188754	AFKXIVSOLQXBEY-KBVAKVRCSA-N	531.081	6.704	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409215093	ZQRMJCLVWPZOFU-KKMKTNMSSA-N	509.842	6.477	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Cl)cc2)cc1	409224319	KIBPNVGKKWFSLN-MNBJERMJSA-N	556.962	5.413	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	409225048	LUWITOHFGPGLQE-HQDYHJHZSA-N	602.043	5.910	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)n1	409231764	KLNLFYCOMLOUKY-NSKAYECMSA-N	554.297	5.984	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409237895	XVEJKZDGJUUOID-HSGPEQJXSA-N	607.275	6.970	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)c1ccccc1	409243066	YJDNRWIWGMCFFG-WBRURWICSA-N	526.349	5.794	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409257490	RSDQTZTVQDPXHF-WKIKZPBSSA-N	575.257	5.310	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1	409260066	KEZISTOXXWLVCU-QOHYIEPDSA-N	510.421	5.638	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1	409263300	BOPQXPJYAMEMQQ-YBEGLDIGSA-N	545.220	6.319	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1OCC	409310444	AFTMCGGHQUULFB-QRQIAZFYSA-N	509.400	5.756	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)cc1OC	409310656	CAGXADOGCPQOHH-NUJZUDFISA-N	608.714	6.781	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC	409318180	UFVRBCVVQFAJEK-DBFSUHOCSA-N	582.329	6.340	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Br)c2)ccc1OCc1ccccc1	409319880	NDIQGXJPZKCPCP-OHUYPAJKSA-N	577.450	6.909	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OCC	409334636	UQCMJYPDEKGHHA-UHBFCERESA-N	531.436	6.532	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)cc1	409394565	CFSNAFGOQCDLOD-UHFFFAOYSA-N	711.794	8.014	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409394642	DEFNPSNNDLLBDB-UHFFFAOYSA-N	719.739	9.015	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1	409394901	HESQDIRCMNAXLF-UHFFFAOYSA-N	750.658	9.312	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)cc(OC)c1OC	409396553	YZQSUCPZOVSNPL-UHFFFAOYSA-N	628.479	6.606	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397616	LWSXKXHHAMIMCM-UHFFFAOYSA-N	728.768	7.847	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1	409398482	TZKKBLCEZQWEHW-UHFFFAOYSA-N	541.966	6.619	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)Nc1cccc(F)c1	409403177	MCGFBOKLTYVYRB-KOKCXWAISA-N	640.668	6.204	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(C(=O)O)cc1	409405663	UKLLXNXZXQXRNC-UHFFFAOYSA-N	628.081	6.969	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O	409408241	JONCJDYBGKZIKV-OCFXJUTCSA-N	550.958	6.126	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1C#N	1529548552	IYNLAJZFUOHBOR-LVOLJPLZSA-N	652.560	5.329	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1c(-c2ccccc2Cl)noc1C	1808357	QNKYFALHKFIUHX-CPNJWEJPSA-N	505.357	7.249	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1Cl	2336467	FWYKNXAYAOOBSF-UEKTYDJUSA-N	508.430	6.367	50	40	KKGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	3102398	QMRXGOYNQFCCPY-KBKYJPHKSA-N	595.175	5.007	50	40	KKGB	
O=P(COc1ccccc1OCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	3175522	UUENHZYZAGLPJT-UHFFFAOYSA-N	538.520	6.387	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2I)cc1Br	3255404	YFHKULMOMXOUPH-MDWZMJQESA-N	588.037	5.927	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccc(Cl)cc1)=N\NC(=O)c1cc(Cl)ccc1O	5580215	HVQNQLQFOVNERJ-LTOHIISPSA-N	548.434	6.517	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)SC(N)=C(C#N)[C@@H]1c1ccccc1	8411573	QMSKLJBAEATGRJ-DEOSSOPVSA-N	516.692	5.746	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1	8439799	JFMRIOXHVYMZRQ-FABQOPTDSA-N	637.080	5.096	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccc(C)c(C)c2)cc1	16309429	PWKYWVKPRGCHFD-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F	58913481	SVGDUJBQCJNMLL-VTNSRFBWSA-N	520.511	5.994	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	59856321	PPLMCGYKYOMRLO-UXHLAJHPSA-N	563.035	5.716	50	40	KKGB	
CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	95671159	BEQLOSVHRBTANS-LURJTMIESA-N	530.106	7.109	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c1	97965513	ZFNFUWNSUKIYHE-OOAXWGSJSA-N	588.505	8.518	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccccc1	100104549	NYDZOQNXTWPEKX-KBVAKVRCSA-N	562.047	5.537	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1C	100988806	GDWUGSKWISOTSW-HMFVREHESA-N	522.457	6.675	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)C1CCN(Cc2ccc(Br)cc2)CC1	101665895	XEZPZBULETZCLD-BHGWPJFGSA-N	574.111	5.042	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	102262850	FXQXDZROSMIGAQ-PDGQHHTCSA-N	525.786	6.014	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	103883220	VDLCHDPZMFRNFM-STZFKDTASA-N	618.302	6.433	50	40	KKGB	
CCOc1cc(/C=N\c2cc(Br)c(OC)c(Br)c2)ccc1N(CCCl)CCCl	104094716	DPVZBCVPPWWFDO-MXAYSNPKSA-N	553.122	6.654	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	150433635	LKGAKAGSEGSONH-ATZGPIRCSA-N	633.985	6.799	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	164777361	GESOSAWBQAEOIH-ODNPBWNPSA-N	652.987	8.375	50	40	KKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc2C(C)=CC1(C)C	208525904	QLKGQZJFUSSRCI-RPPGKUMJSA-N	535.280	6.011	50	40	KKGB	
Cc1cccc(C(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccc(Br)cc32)c1C	245226348	SBENGTBDQOPWPB-PZIPUQEWSA-N	537.502	5.405	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc1OCc1ccccc1	408537409	DSIXWTKFABWDOI-YZSQISJMSA-N	572.583	7.808	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(I)cc1	408540928	CWFVWSXNBPMPNS-JAIQZWGSSA-N	559.787	6.685	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(C)c(Br)c2)c(C(=O)OCC)c1C	408547030	QOLQWRVMCTUXBA-CXUHLZMHSA-N	504.402	5.200	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)c(OC)c(OCC)c2)c(C(=O)OCC)c1C	408547373	VSGSFBRGCJLBHD-CXUHLZMHSA-N	520.003	5.189	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408581631	YAQGYFOUABEFFE-OVCLIPMQSA-N	553.718	7.895	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCC(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1	408608832	PXLVCVKEDJCIMR-NRFANRHFSA-N	535.044	5.033	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408640250	HRNKKCBYTXYJNH-YXWSMURKSA-N	631.148	5.544	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408644868	RYNLYMOFDMGDRY-JQVVWYNYSA-N	551.829	5.711	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2ccc(I)cc2)c1	408710676	FBMUWALIHXDTRL-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408726425	RMJWXFOJYPAIEY-MFOYZWKCSA-N	600.325	5.241	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc2-c2ccc(-c3ccccc3)cc2)c1	408727806	XVXYMVDGTDCXSF-XPGZBYHPSA-N	562.673	7.858	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C\c2ccc(-c4cccc(Br)c4)o2)cc1)CCCC3	408732258	QEBPMZUVXWCYFC-ACXHZZMFSA-N	587.499	6.421	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408735749	WOTBTFYQBKRLJI-HBHSWBPBSA-N	599.301	7.498	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1OC	408742314	QOFKJBGTPWEHAV-FADJLKOXSA-N	594.509	7.745	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)ccc1I	408747656	RBTFVYHTYRXRTF-UVHMKAGCSA-N	609.258	5.722	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	408774329	UXZSLLOJRYCNHO-CHHVJCJISA-N	590.174	5.045	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc(OCC)c1OCc1ccccc1C#N	408792604	BEQFAVIQZBVZRO-WPWMEQJKSA-N	535.600	5.987	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1	408793531	FQWMWROXIHTXOW-VCHYOVAHSA-N	607.673	7.140	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c1	408794621	JRAVTHIUTNOGMH-RGVLZGJSSA-N	506.356	6.099	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccccc1Cl	408796668	YTYJSKBDHGVJBF-LZYBPNLTSA-N	611.636	6.971	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(C)c(C)c1	408802619	ZLFUFEDSGOBGHN-UFFVCSGVSA-N	586.857	7.003	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc(F)cc1	408822608	CJPHORUZGYIMRR-BUVRLJJBSA-N	682.917	8.186	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408826575	FBDHIOJPZAOBLU-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408826905	UFAWRUVAGPWTLN-DEDYPNTBSA-N	553.840	6.801	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408834040	KVNUBRWVZPCZBT-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(F)cc1	408835948	ZVEATSPLMZPHRH-OEAKJJBVSA-N	621.890	7.954	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408837935	ATIKOGOCDQQVTG-YSURURNPSA-N	547.774	5.835	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(C)cc3)cc2)cc1	408838386	DZSMYJUWTIXNLP-ZCTHSVRISA-N	507.546	5.239	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1cccc(C)c1	408839981	BYZPMVYZSVVYCU-MHDJOFBISA-N	568.621	6.884	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1cccc(F)c1	408841363	IMJGETUUHQFFFX-HIWRWHBISA-N	558.557	6.325	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(Br)cc1	408842910	LTTPUFXZJSJBMZ-HIWRWHBISA-N	619.463	6.948	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C	408847080	OZTQMAYMCUQIDU-UCMJSZAQSA-N	547.615	6.541	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc2ccccc2c1	408853677	WNLFFBYKQJFHNZ-CAQPMQTCSA-N	539.429	7.420	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCC	408853817	STFDEZYROKYCIJ-KSEXSDGBSA-N	557.182	5.361	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1	408867144	JOQMDQAOTPXWRC-UVHMKAGCSA-N	558.454	5.637	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1I	408883164	TYLHAFLNLRHBJH-WUXMJOGZSA-N	715.949	6.674	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408884156	SWIMJHKFTVRKIH-RVDMUPIBSA-N	548.360	5.224	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1OS(=O)(=O)c1ccc(C)cc1	408886056	HNOZPHAKMZLGFP-GHRIWEEISA-N	517.390	5.624	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)c([N+](=O)[O-])c1	408897400	RYQHTHKTXDBQTP-RQZCQDPDSA-N	619.799	5.995	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408904110	DXTTZJQUYDSMBN-QDTIIGTASA-N	605.283	6.352	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1	408926780	YJOLYYCWCNOAKO-JJIBRWJFSA-N	510.615	6.387	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1	408943704	LVPBUKPRJJGCMV-QHDYCIAZSA-N	542.639	6.543	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408946347	MIXGRAJTQNTPEC-HHHXNRCGSA-N	855.449	5.268	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)c(OC)c1	408950891	HUMVYRKBVATJTI-QGOGVWFISA-N	683.737	5.541	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1Cl	408962060	GEYHLDNXGLIEJN-VVEOGCPPSA-N	555.778	6.863	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cccc(C(F)(F)F)c1	408962942	LHVQCPMNTDAXHZ-KKMKTNMSSA-N	569.277	5.561	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408972115	SCPHFJBWRRZUQR-WNGBFMCOSA-N	669.403	6.980	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccc(OC)cc1	408999200	SZPSAFAQTCHWDB-HNSNBQBZSA-N	616.468	6.092	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1O[C@@H](C)C(=O)O	409011769	ILSDTYTUOQNNSN-ABCFECNYSA-N	559.622	6.436	50	40	KKGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409016973	UPGPGVNUYHIGAC-ZFILKEQLSA-N	571.209	5.750	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc2c(c1)OCO2	409021256	ZPJXNAZQYDOBDB-NSKAYECMSA-N	606.214	5.700	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409043415	FFJNJEADPXFWBH-MWLSYYOVSA-N	610.249	6.045	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1	409050587	XJJKUJMOUTUPFF-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409089977	NWOGFAMTYMQRSN-PPDIBHTLSA-N	570.214	5.735	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C2=C1CCCC2=O	409132460	OSAYRENXJPBFRX-NRFANRHFSA-N	588.256	5.429	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1Cl	409153023	KOYMGHHKPXMGHO-PNQUVVCRSA-N	689.721	5.756	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1ccc([N+](=O)[O-])cc1	409200821	JVAHRFURHWJTIS-MFOYZWKCSA-N	626.163	6.586	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1	409219511	RIEJFAQBFSARTH-UHFFFAOYSA-N	606.860	6.347	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)ccc1OC(C)=O	409223045	GBJDGLIPMBCSIC-CHQORIJYSA-N	780.382	6.689	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409227946	XWYGOFXMSCEPBJ-ZEVPKUISSA-N	568.973	5.883	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(F)cc1	409229004	IIKORFIELQLSPP-MFOYZWKCSA-N	549.318	6.740	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409261792	BIEMBWDNDPTNMC-VCHYOVAHSA-N	543.929	6.239	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccccc1Cl	409265110	MQXJGZWVQBWYPK-NKHVPTTDSA-N	739.877	8.514	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1Cl	409269917	BBHXDQXBCYNQGB-RQZCQDPDSA-N	548.348	6.884	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1OCC	409304902	SZUUGNIAGNDNTA-NUJZUDFISA-N	594.275	6.491	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OCC	409315298	IUHIKHAXZPOZLS-LJUMEUDFSA-N	545.463	6.923	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OC	409328163	ZTYFPNBKOCIQHZ-LJUMEUDFSA-N	598.494	5.735	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OCC	409333389	OVKXUNOSAWRTEO-UHBFCERESA-N	631.467	5.187	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1OC	409365049	PSVJDBXHXFPVRQ-QDTIIGTASA-N	641.154	6.263	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)[nH]c2c1	409371004	ADSZXWCWMPIPPT-MFOYZWKCSA-N	523.774	6.839	50	40	KKGB	
COc1ccc(Br)cc1/C=N\NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1	409371873	LIEIBYSPGFNTNO-NVJOKUIPSA-N	664.203	5.868	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccccc1F	409373527	UNKCUXCDYOAKMG-VYYCAZPPSA-N	530.350	5.167	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)n1	409379340	WIGMXQNEGGRRJK-OMCISZLKSA-N	678.095	6.842	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(C)cc2c1-c1ccccc1Cl	409394448	AMYNMUOAPPURJN-UHFFFAOYSA-N	651.344	8.204	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)cc(OC)c1OC	409395005	IRTSPLOTOJJEEQ-UHFFFAOYSA-N	820.716	8.785	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(C)=O	409395352	MOLXVVGOEQJVKE-UHFFFAOYSA-N	752.359	7.119	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395554	OZZYGASTZWLKGQ-UHFFFAOYSA-N	651.300	7.616	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1	409395629	QAWLBOJIUHBASZ-UHFFFAOYSA-N	669.757	8.206	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409395713	QWPLRKXFWCWMQT-UHFFFAOYSA-N	710.304	8.233	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409398150	RFKKZMFDZLSTOB-UHFFFAOYSA-N	563.411	6.452	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409398410	SVRICCJNAKVNPI-UHFFFAOYSA-N	575.518	6.985	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(C)=O	409398955	XAEAGEQDHYGCAR-UHFFFAOYSA-N	673.463	6.357	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(C)cc1	409404153	OZJFANUOFXSKAI-IDWIKUEFSA-N	577.681	7.316	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3F)nnc2-c2ccc(Cl)cc2)cc1	1820944	NVGYTHAENWHWLT-RWPZCVJISA-N	509.994	5.368	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)n2-c2ccc(Cl)cc2)cc1	1824348	MUTHGBXEHPNNBC-XODNFHPESA-N	530.868	6.445	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1	1890408	MESKDTFZYDANSE-UOFJPCGLSA-N	563.039	5.802	50	40	KKGB	
COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1	2589201	JMQXIAUFLLVGJM-FDAWAROLSA-N	557.676	5.269	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/C(Br)=C/c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1	2594359	WERVEZZHZDBXQM-KCDQQWPOSA-N	596.938	6.617	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1	2736792	MNAAAYATSNARBP-NDZAJKAJSA-N	506.591	5.364	50	40	KKGB	
Cc1ccsc1/C=N/NC(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2	2782875	FGFRLCDHVSJZDV-VTIYOYBBSA-N	501.456	5.452	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1c(Br)cc(Br)c(O)c1Br	4132859	FXWKYZYBYVLBGX-IFRROFPPSA-N	525.422	5.026	50	40	KKGB	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	6017598	ZSXRSRLXVURIIP-UHFFFAOYSA-N	508.669	5.084	50	40	KKGB	
COc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C(/C)c3ccc4ccccc4c3)n2-c2ccccc2)cc1	8397394	TXFNHFRVPYVRMI-QRDHBMAZSA-N	550.688	6.062	50	40	KKGB	
COc1ccccc1NCc1nnc(SCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)n1-c1ccc(Cl)cc1Cl	8397414	KUFDWJGKSNMNFS-KNBZMSCYSA-N	681.356	5.814	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)cc1	8398207	IHXPRRSQYQZRIF-ZMGVVAQMSA-N	602.927	6.820	50	40	KKGB	
Cc1cccc(/N=N/C(=N/NC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)c1	8665886	HBTHNMAFDAJNEY-RZRWSKPRSA-N	528.016	6.172	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	9311110	IJHLOPMAHQKKGF-XMMPIXPASA-N	504.999	5.640	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1	12251099	VVNGTHLMCLKDJX-VWLOTQADSA-N	502.039	6.447	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1cccc2ccccc12	12555900	MDKJAWDBTXFBIQ-LTGZKZEYSA-N	507.502	5.912	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)N1CCCCC1	27021181	KLXIZHGSUHWWJY-NCELDCMTSA-N	523.036	6.691	50	40	KKGB	
C/C(=N/NC(=O)c1cccc(N/N=C(/C)c2cc(Cl)ccc2Cl)c1)c1cc(Cl)ccc1Cl	34857114	GNLNPTYJXMJFNA-DRNSWBLSSA-N	508.236	7.290	50	40	KKGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	36245412	CJOYDLIVWDNREM-SWJGXILISA-N	509.433	6.764	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)c(Cl)c1	59297561	XGPAAOIYOQQGPB-UFWORHAWSA-N	511.361	5.533	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	59856713	MDSOANSCVIIYCJ-RDRPBHBLSA-N	532.493	6.027	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc(Cl)c1Cl	59884580	SXGVJYCRTFFGOM-OKCVXOCRSA-N	556.471	5.642	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(=O)OC(C)(C)C)=C(C)N2)cc1	97950996	VNEXMQQCIPKABA-RUZDIDTESA-N	540.085	6.148	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C\c1cccc(Oc2ccccc2)c1	97951584	PKQSRKJWKUUFGW-DXJNIWACSA-N	540.048	6.622	50	40	KKGB	
O=C(N/N=C/c1c(Br)cc(Br)c(O)c1Br)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	97964203	VTWYHPQOMIEYAW-VUPCYYGOSA-N	666.120	5.330	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)/C(=C\c3cccs3)NC(=O)c3ccccc3)cc2)cc1	97965500	CDNHHOMQQCUBLN-XPQDGABRSA-N	551.668	6.186	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1	100016350	KIHHOFPQIWLITD-DNJOOXRZSA-N	582.660	6.079	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl	100226587	LEGZWUWKQMRREL-NDENLUEZSA-N	572.830	6.776	50	40	KKGB	
O=P(/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1)(NCc1ccccc1)NCc1ccccc1	100439142	XNFKUXZDBDQKOG-BLCKFSMSSA-N	511.591	6.189	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3cccc([N+](=O)[O-])c3)n2-c2ccc(Cl)cc2)cc1	100972551	QMCQTVJLOLXKOZ-YUMHPJSZSA-N	537.001	5.137	50	40	KKGB	
N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100988245	DSGZYDLXYYXXID-UTDQILSNSA-N	573.299	6.821	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)ccc1COc1ccc([N+](=O)[O-])cc1	101655832	UZBDZHGTXSXYTI-BIZUNTBRSA-N	594.653	5.673	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc(Cl)cc1Cl)=C(C#N)[C@@H]2c1ccc(Cl)cc1	102086107	YFGAOHCBGZZEPO-QHCPKHFHSA-N	546.907	7.084	50	40	KKGB	
CC1(C)CC2=NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C(C#N)[C@H](c3ccc(Cl)cc3)C2=C(O)C1	102578584	AYHNWQWLUNQVPT-QHCPKHFHSA-N	546.014	7.636	50	40	KKGB	
O=C(COc1ccccc1Cc1ccccc1)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	103041801	SMSZVEDXFSOPIU-UHFFFAOYSA-N	542.635	6.363	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	103872145	XYHUGCBIHBJAOZ-PPOKSSTKSA-N	595.497	6.767	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc(C)c1	103889958	VBLRLWCKIPYPJM-ZDLGFXPLSA-N	593.248	7.040	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(Cl)cc2)cc1	103895940	XFLLLUQWYCYZHE-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
FC(F)(F)C1(C(F)(F)F)OP2(c3ccccc3)(OC(C(F)(F)F)(C(F)(F)F)c3ccccc32)c2ccccc21	104230039	BLWAZRNUOOCEQB-UHFFFAOYSA-N	592.316	7.046	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104699480	SSLYKRMKDCNOID-OGUPVWQYSA-N	536.528	7.841	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1ccccc1	106396602	FVXONVOEWDFPIT-VULFUBBASA-N	528.359	5.108	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	150419567	PLKAHNZIIXZCNK-KPGMTVGESA-N	713.313	6.093	50	40	KKGB	
O=[N+]([O-])c1cccc(SSc2cccc([N+](=O)[O-])c2OCc2ccccc2)c1OCc1ccccc1	207723068	OQWRELPZIJGMOJ-UHFFFAOYSA-N	520.588	7.460	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	209656652	AUSWYTJVKBPHBJ-LCYFTJDESA-N	523.368	5.975	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	408539564	XOXSUHVASHWBFP-ZXSNDDASSA-N	635.628	8.828	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408541867	IFPUYUXXSHIJAD-IUXPMGMMSA-N	546.204	6.579	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408565778	AGXAWUJGHJJMBB-MUFRIFMGSA-N	558.314	6.781	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408568968	LPTRTVQBSNLRFJ-KPGMTVGESA-N	672.464	7.952	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)Sc1nc2ccccc2[nH]1	408599414	UKZVYDQMMQAAGM-LICLKQGHSA-N	541.268	7.324	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408641574	KNNXZSVXZHRVBZ-ZPAWYTMASA-N	690.172	5.408	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408643038	OLWZHNGPTRZONS-IPJJNNNSSA-N	568.284	6.226	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408646768	UKVWKLDLDBVMPH-LVCYWYKZSA-N	521.828	5.406	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21	408659577	VYBYBLYVDUIJMA-OVKIEXBXSA-N	568.284	6.082	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)cc1	408743813	BUQKMTVTGICNPA-JAIQZWGSSA-N	565.367	5.305	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3c(Cl)cccc3Cl)c(OCC)c2)cc1	408773803	MGIUIWFCWCWEEH-PDGQHHTCSA-N	590.301	7.678	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408778329	DPUDVDVDTYAZSC-UUASQNMZSA-N	545.204	5.617	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(I)cc1	408779687	HVDCFZVSCYSENN-PXNMLYILSA-N	555.210	5.073	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1cccc(F)c1	408790576	QFGNUTFOMFAOQG-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1cccc(C)c1	408793602	FVULDGBTWODXDP-RGVLZGJSSA-N	525.830	6.934	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408793690	GDAIIYFCUGLCJX-YDZHTSKRSA-N	576.288	7.798	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(C(=O)O)cc1	408796728	YZSOMAGAKYRDKV-YBFXNURJSA-N	602.812	6.166	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccccc1	408821537	IPZYUGCPOLJPOZ-BUVRLJJBSA-N	603.900	7.815	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1	408826476	GUADUMHDNKOEER-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccccc1F	408838869	JNJHSZGMHYRPBE-IZYHBKOJSA-N	659.581	8.505	50	40	KKGB	
Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)c1	408839094	MVUYYGVYNOWIIE-UHFFFAOYSA-N	508.943	5.098	50	40	KKGB	
CCOc1cc(Cl)c(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC	408841005	FBNCEEMWOUFGDY-LUOAPIJWSA-N	512.941	5.659	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Br)cc1	408853284	NADCMTDRTTWTFP-FDVSRXAVSA-N	568.265	7.029	50	40	KKGB	
CCOC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1	408855671	GBJQZFLHYJCXBS-MNBJERMJSA-N	560.448	5.921	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408861093	MSHNLWXRDARFEA-KPGMTVGESA-N	643.947	5.431	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408861485	BHBJVGNCTKTFNL-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1ccc2ccccc2c1	408876963	RJNJIBQVCLEZGD-VULFUBBASA-N	601.497	6.821	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccccc1-n1cccc1	408879895	FYUNIJZIRAKPNG-LQKURTRISA-N	647.254	6.029	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2cc(C)cc(C)c2)cc1	408882834	OIMKKELEGDMZEO-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OS(=O)(=O)c1ccccc1	408888398	VCSLYYUXFGBYCP-LDADJPATSA-N	586.420	5.378	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=N/NC(=O)c3cccc(Br)c3)cc2OC)cc1	408900905	YWRRMJJKQMHJAE-LGJNPRDNSA-N	609.214	5.054	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc(C(=O)O)c1	408933295	AJKNMYOLANLBKP-NVJOKUIPSA-N	557.784	5.898	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	408950117	RPPVTXLASJZLOD-HKBQPEDESA-N	677.610	6.611	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1cccc(C(F)(F)F)c1	408962654	IZPKLCPUEPUXEB-VPUKRXIYSA-N	668.166	6.397	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCCOCCOc1ccc(C)c(C)c1	408971127	MSMHQWJWZYFTNN-RDRPBHBLSA-N	541.442	5.313	50	40	KKGB	
CCCCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408971438	OLCRNXJXKZTENY-OMTBQELJSA-N	556.490	5.817	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408973007	XEHGGIHEXFWLPL-GWSWIJHGSA-N	703.848	7.633	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I	408981421	AZJAFZVNCBQOSS-ACAGNQJTSA-N	589.611	5.113	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1Cl	408982136	GFEOIUYKSDCRMR-NVMNQCDNSA-N	501.797	7.089	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cc2cc(Br)cc(I)c2o1	409015358	RQWJAFDODVGQGX-IPBVOBEMSA-N	779.992	7.510	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccccc2OC)cc1	409025318	TURRRJPULAJDEQ-UHFFFAOYSA-N	529.703	5.676	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1	409043066	PMODVBYECRTACC-VCHYOVAHSA-N	604.682	6.776	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1	409081445	OHHSTLMCWBEVNR-RIYZIHGNSA-N	543.717	6.257	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4F)c(I)c3)cc2c1	409186328	ALDMZMCOZAEWIJ-MUXKCCDJSA-N	558.347	5.918	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409216750	OEFOREUPLBPYDZ-KKMKTNMSSA-N	519.406	5.522	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)c(OC)c3)c2)ccc1OC(C)=O	409217796	BSGOXZUPINSBGZ-UHFFFAOYSA-N	595.608	5.173	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)cccc2[N+](=O)[O-])cc1	409218323	HZJZKWMWCYRIGM-IAVRWACYSA-N	578.581	5.547	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1	409222432	CZMYQBFPVGDUFQ-UHFFFAOYSA-N	624.413	7.012	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1	409230509	YYSWBRPXYHDFMC-PPDIBHTLSA-N	601.641	6.118	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409252974	AHFKURDIKIQLPM-FDVSRXAVSA-N	538.442	5.554	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1	409259525	ADIFYGBTKIVIME-XCHWQBBTSA-N	526.420	5.474	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409269203	GZRSQMRYFINREO-GRSHGNNSSA-N	568.855	6.291	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409309658	KMYHNRDOPDEOEC-MNBJERMJSA-N	581.046	5.468	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)ccc1OCc1ccccc1	409316556	ZJTNJFDHDNIZDH-MZFJOGFUSA-N	559.460	6.770	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC	409318528	YONJKPWQONCXBU-MNDYBZJGSA-N	602.869	5.466	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)NC(=O)C[C@H]1c1cccc(Br)c1	409320021	OSFYSGWWLRKXFS-AWEZNQCLSA-N	511.228	5.466	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)cc1OC	409325378	YGHSAGYLFHSRLO-YNFMAFFXSA-N	645.175	7.659	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(F)c2)ccc1OCc1ccccc1	409335785	YEYZBEBBJWXVIP-KYHGBAKBSA-N	563.423	6.519	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OCc1ccccc1	409356341	MLFCJMBMKCHPSC-CCVNUDIWSA-N	500.368	5.128	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(F)cc1	409362521	HGENDLBBKUJHBA-LDADJPATSA-N	527.474	5.806	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1ccc(C)cc1	409373075	LBIBDEXGBZPCSA-FMFFXOCNSA-N	508.618	6.627	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(Cl)cc1Cl	409374142	YXVGXDICLOEKCF-FJEPWZHXSA-N	509.389	6.507	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1cccc(F)c1	409392167	LRDYUIKCVFCOCY-IUXPMGMMSA-N	599.156	6.817	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)cc1OCC	409394633	DAXQTJWEOBQSIO-UHFFFAOYSA-N	767.902	9.411	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409395506	OKVFCCFIWYFZNU-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409395946	UILYLUZZRALONA-UHFFFAOYSA-N	646.881	6.971	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396271	IWEKDNLVXMFUAT-UHFFFAOYSA-N	704.961	7.567	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397022	FCCVXYPRUAPWJR-UHFFFAOYSA-N	612.042	6.454	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409397768	NWEAPWBRKIPUEQ-UHFFFAOYSA-N	575.974	7.799	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccccc3Cl)o2)cc1	409409381	OMFLUVIYTARCDZ-HQDYHJHZSA-N	613.026	6.811	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	1529546743	HDINWDKAZPKAFH-HBPAGYSFSA-N	761.449	5.584	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	1529548559	JAVKGNRNLZDGLG-UUTVKSQHSA-N	672.001	5.567	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	1864351	AZMXZTAYKTWRLP-VWLOTQADSA-N	598.046	7.127	50	40	KKGB	
Cc1cc(Cl)ccc1N[C@@H](C)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1	2100198	WPJMQNDWTGLUGZ-MAFAOTQISA-N	500.824	5.941	50	40	KKGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccc(OC(F)F)cc3OC(F)F)cc2)n1	3319945	IQYPVYJOEIOTNQ-IPBVOBEMSA-N	508.497	5.352	50	40	KKGB	
CC[C@H](c1ccc(C)cc1)N(NC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)C(=O)c1ccccc1	3616710	QKXSNMAKUDFIRC-SSEXGKCCSA-N	506.646	6.173	50	40	KKGB	
O=C(O)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	6445784	HLLGIHOHYYUOEV-MEFBHEEYSA-N	525.970	6.240	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1cccc2ccccc12	9200752	ZUDFJJBQOOZGGY-MUFRIFMGSA-N	503.396	6.262	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccco1	12250147	URQVNBOEVVQQQF-HHHXNRCGSA-N	526.662	6.165	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)Cc2ccccc2)cc1	59435398	JQCFOGRQDJAFPY-UHFFFAOYSA-N	513.704	5.663	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Br)cc3)cc2)cc1	97959162	YRTMJPICJUEVOM-FUGGPRTCSA-N	553.460	6.577	50	40	KKGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1	97980747	HYSBCHMYDODNHV-UQRQXUALSA-N	590.727	5.367	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	100142230	YLYDOPQVGADYPJ-ZMGVVAQMSA-N	613.523	5.683	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1cccc([N+](=O)[O-])c1	100208678	BMMCNUDUAWHUPK-YBEGLDIGSA-N	526.368	5.808	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100239754	WAUMEDZOWRJYNS-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
CO[C@]1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O[C@@]1(C)OC	100731448	RSCYVRLLTJPYTP-PSWJWLENSA-N	572.622	5.761	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1	101161654	SZYHYHXZJFIESH-ZUGOUDHMSA-N	546.838	6.851	50	40	KKGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1	102947871	PKJXGMKTJQLBLE-DHDCSXOGSA-N	516.362	5.069	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	103895004	VRAUZMMXCPAXKN-PPFNPFNJSA-N	616.765	5.795	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl	104954077	NVTPNQNAZCBVAU-LZYBPNLTSA-N	522.215	7.433	50	40	KKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H](Br)C(=O)[C@@]21C	123353515	MHOABUMAFPMXIQ-VOUFCMAISA-N	525.524	5.719	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@]4(Br)C[C@@H](OC(=O)CCCCCC)CC[C@]4(C)[C@H]3CC[C@]12C	150343466	PZBUHTHCCFTXDY-SMLGZHNISA-N	658.644	11.169	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)Sc1nnc(S[C@H](C)C(=O)N/N=C(\C)c2ccc3c(c2)O[C@@H](C)C3)s1)c1ccc2c(c1)O[C@@H](C)C2	150362394	XOXIDXFOQLFJPV-NPERXXMASA-N	638.841	5.227	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)o2)cc1	150410200	UPMLSAWETUDWSY-SEBMTOOBSA-N	656.160	7.245	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1OC	150474886	DHHKJZNALCHRKU-UCMJSZAQSA-N	653.599	5.258	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cc(C)cc(C)c2)cc1OC	162429333	ZFGLONRLQSZVGE-XZYGTATASA-N	665.168	5.337	50	40	KKGB	
[N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C(=O)NCCSSCCC(=O)O)c(F)c1F	195813652	FJKANRXSLHOXFW-NZPKCACASA-N	979.159	5.621	50	40	KKGB	in-vitro
CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]2(C)CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]12	204862785	QREAEZONYVKIGK-CAJZEXQTSA-N	534.974	8.701	50	40	KKGB	in-vitro
CCOc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1	408611486	WJWIFZBHRTXXOU-GOSISDBHSA-N	514.409	5.467	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	408727871	YIYGRXNXJYFVDT-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)NCc1ccccc1	408747461	OGAWUWLWKQCBPK-IWIPYMOSSA-N	544.392	6.247	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408748563	FDIPGIGHIWVMSR-MZJWZYIUSA-N	667.572	5.618	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408748853	IHUBIWYFCISETJ-OPEKNORGSA-N	650.234	5.046	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Br)cc1	408752276	HHJGSXXROGBSBO-CPNJWEJPSA-N	511.397	5.379	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	408782409	HXEIKOMRUIMULY-RDRPBHBLSA-N	532.493	6.027	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc(C)c1	408787877	HELBQKXLNJCDKN-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408789269	IEFQYKXJPLFOTK-CAOOACKPSA-N	689.118	7.636	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408795882	NLPYOZQREJFHND-CXUHLZMHSA-N	719.542	7.436	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)cc1	408798040	UIMXMRNFEBQISP-RGVLZGJSSA-N	631.264	6.273	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)c(C)c1	408804546	YGVBZLCRMKWOBT-FSJBWODESA-N	519.439	6.816	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1	408812826	NYLOLIHTEAWYAP-ICUTVXMZSA-N	564.085	7.848	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)c(C)c2)c(OC)cc1Cl	408821480	HZNVSHFQSAHGRN-KEBDBYFISA-N	555.856	6.861	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCC#N	408838800	INVYWLLPIAZLSC-AMVVHIIESA-N	596.894	6.644	50	40	KKGB	
CCOc1cc(Cl)c(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC	408840769	FNVXGMYKFXKWMA-KVSWJAHQSA-N	526.968	6.049	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408842457	PHLKWBKDWKDATK-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
CCOc1ccc(NC(=O)N/N=C/c2cc(OCC)c(OCc3ccccc3)cc2Br)cc1	408845430	GVWBVAGASIPRNT-JVWAILMASA-N	512.404	5.981	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccccn4)c3C)sc3c2CCCC3)cc1	408851101	IGQHZURXSSHJTJ-KBVAKVRCSA-N	511.651	5.754	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc2c(c1)OCO2	408854908	BALQDARUKLLILB-ULPWCQAASA-N	616.262	6.428	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(Br)cc1	408859961	WERYSWROHDHEJL-YBFXNURJSA-N	592.125	8.016	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccccc2Cl)cc1	408864243	XWCVFDFZFLZMTH-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408871745	ZUVZEQSKLCABQN-XJECJHNESA-N	661.058	6.500	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c(OC)c1	408874886	BUJDRKPLTTWEQA-DJKKODMXSA-N	665.176	6.794	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1c(C)ccc2ccccc12	408879323	DZWSHBYKEXHUDQ-HYARGMPZSA-N	559.435	7.573	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(OC)c1	408892820	CPOQRAZNKDNMFX-UVHMKAGCSA-N	564.807	5.613	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408899200	NZOVDLZJHCVZFR-DEDYPNTBSA-N	586.398	6.674	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OCc1ccccc1C	408923532	JIDLIVHFMFBLOK-XZYGTATASA-N	565.154	7.620	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)c(OC)c1	408949258	FGJZLTSLXICQBV-RFYYFMECSA-N	685.561	5.700	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OCC)c2)c(OC)c1	408956542	RCKRGOMNAFZDOV-LSTDAIIBSA-N	777.012	5.651	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)c(OC)c1	408956560	RHQLNFZLSNJYEP-VOSMKULASA-N	764.855	6.173	50	40	KKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1C	408982751	YWQKCJHZHOHNCS-ZLZXEHKWSA-N	513.041	6.067	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408986373	BXUKKHPZJWUAQR-BKUYFWCQSA-N	566.839	7.172	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408992910	UDFGMLUXGTVXOV-YMJAZKHTSA-N	658.161	7.543	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c(C)n1-c1ccc(C2CCCCC2)cc1	408994737	ZZASSIZKOAXODW-ROTPIBODSA-N	566.706	5.853	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1	408997178	LOHVDQCISKSLDA-GQQFYDRFSA-N	519.557	5.330	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1OC	409009908	CLDMAMULKMDQET-UHFFFAOYSA-N	561.038	5.546	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccco2)cc1	409019451	JHLOFPHTZBJJFF-LMIMVORJSA-N	644.596	6.042	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1cccc(C)c1	409034021	GJBQDNOFLJIMPH-OJYCWLPVSA-N	641.509	7.556	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	409043362	QJGAFCSIAUEYJB-RGVLZGJSSA-N	630.258	8.508	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl	409062097	NJCMUQHITYWXHT-IPBVOBEMSA-N	563.265	5.781	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409085100	RHTGUDICIHVHSZ-OQLLNIDSSA-N	592.324	6.818	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409088141	DRLKLZGTGWNZIV-LDADJPATSA-N	511.456	6.659	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	409090621	MLZNMIPRNLTJNR-VGOFMYFVSA-N	613.140	7.903	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(=O)(=O)c1ccc(Cl)cc1	409139475	AZYHYFVMKRTMJM-LQKURTRISA-N	514.047	5.010	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)[C@H](O)c1ccccc1	409146705	SNGJXCNIDZNIJG-PKEXHZLISA-N	662.265	5.812	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	409167738	JNDJZAUBVZLYOG-WCMJOSRZSA-N	587.460	5.287	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1	409200215	HNGMPESOJHCBPS-LGJNPRDNSA-N	532.847	5.362	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	409221811	BBWVWMZYCBSMJO-NJVFWAMFSA-N	686.937	5.710	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)/C=C/c2ccccc2)c1	409227781	WSPNGADIMRKLMJ-AAZFPYNQSA-N	711.794	7.509	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(F)cc1	409234199	NEFTUPKHGFBCAC-HAHDFKILSA-N	537.429	6.222	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1	409250439	LRCDGJDDXKCIST-WQRHYEAKSA-N	524.802	5.974	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	409252186	RCVLMMRJGZBAOY-QORIIEMTSA-N	500.357	5.215	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409263179	AVWGYAHKISWTLS-GRSHGNNSSA-N	615.855	6.133	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409265893	WSNSWDSPRPODKC-YBFXNURJSA-N	569.355	5.598	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1OCC	409318003	UBQNLRAZGAJSDB-RHANQZHGSA-N	507.974	5.085	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	409324466	UIWLVVOXHUVVDW-UHBFCERESA-N	540.016	5.236	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409364953	RQCUANCJKUJBOQ-UDWIEESQSA-N	599.400	5.070	50	40	KKGB	
CSc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409367530	DKIKBHOQKPKYOL-WKIKZPBSSA-N	601.375	5.819	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	409367973	KQRVRUAPTLBUHZ-LUOAPIJWSA-N	590.272	5.550	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc(Br)cc3)[nH]c2c1	409374769	YVDKYIVGTQUGHV-WQRHYEAKSA-N	523.228	7.040	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1	409375035	DKRFEGIZFLTDCN-GIJQJNRQSA-N	547.780	5.593	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1	409380026	GBLFULGTFBVUAX-RGEXLXHISA-N	505.958	5.310	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409383333	UKBXXLZACFILMM-WOJGMQOQSA-N	618.406	6.438	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br)Nc1ccc(F)cc1	409386485	QGXXZJHFJHKRNR-KKMKTNMSSA-N	571.384	5.493	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)cc(OC)c1OC	409395312	MDYTZXPBJHQTKR-UHFFFAOYSA-N	850.742	8.793	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccccc1Cl	409396482	YRBZQSZBKWDXJC-UHFFFAOYSA-N	698.742	7.839	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409398303	SJYCHXAGPNELAD-UHFFFAOYSA-N	612.900	8.931	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCC(=O)OC(C)C)o2)cc1	409399908	AFWIBQFHPOSDSW-ZMGVVAQMSA-N	564.038	6.014	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)o2)cc1	409401837	IILLBEPUKWCQJD-AEUUOICLSA-N	632.942	8.025	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Br)cc3Br)o2)cc1	409404678	QPBFZPDPOQCLGW-HTVDVWKISA-N	801.286	8.805	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OC	409409088	MXKKEWADBHKBGP-SAEPALGJSA-N	702.558	7.038	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1	409410460	XHTVUPIMNWLBNR-OHUYPAJKSA-N	623.578	6.066	50	40	KKGB	
CC(C)(C1CCC(Oc2ccc3c(c2)C(=O)OC3=O)CC1)C1CCC(Oc2ccc3c(c2)C(=O)OC3=O)CC1	2362803054	BYSJFJYVOKWWIH-UHFFFAOYSA-N	532.589	5.909	50	40	KKGB	
COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NNC(=O)c4ccc(C)cc4)c(N)c23)cc1	873667	RCONLJLFQYNDBK-UHFFFAOYSA-N	508.603	5.604	50	40	KKGB	
N#CC1=C(SCSC2=C(C#N)C3(CCCCC3)[C@H](C#N)C(O)=N2)N=C(O)[C@@H](C#N)C12CCCCC2	2310940	YXEMIKSHNJYRHE-IAGOWNOFSA-N	506.657	6.001	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)sc(C(=O)OC)c1C	2384200	VWRADIMJVLVXKM-UYRXBGFRSA-N	509.653	6.318	50	40	KKGB	
N#CC1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	2761083	PPVKSQBGHPOHQD-QUGAMOGWSA-N	565.844	7.253	50	40	KKGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1	3765719	OHVRRVMCUIUNPQ-XKJRVUDJSA-N	552.494	5.546	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(I)cc1	4047909	ADEBJUKURQRBBE-HYARGMPZSA-N	517.370	6.398	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1[N+](=O)[O-])N2	4048153	INDBPULSIXDSCZ-UXXDJHJKSA-N	523.998	6.744	50	40	KKGB	
COc1ccc(/C=N/c2ccc(Cl)cc2SSc2cc(Cl)ccc2/N=C/c2ccc(OC)cc2O)c(O)c1	12951626	HUIACDJFYXTPIJ-IHXWQEJPSA-N	585.534	8.722	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1	97959517	KDXNUMNPCGRPFX-STBIYBPSSA-N	540.476	6.272	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)c1ccc(Br)cc1	97967770	XFCJZZJEHCNWEE-RWPZCVJISA-N	586.309	5.543	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2cc(Cl)ccc2O)n1-c1ccccc1	98045831	VHZIGKOGRUYOLU-HHNYEPMJSA-N	646.942	5.782	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1	100090652	MMEYTLVEDHWULR-KVQDIILNSA-N	588.173	7.518	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100118438	KFVMWAKQMWJQOW-FADJLKOXSA-N	597.140	6.907	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100336512	AGGFTCYRXMKHGK-MFOYZWKCSA-N	532.221	6.889	50	40	KKGB	
CC1(C)C(=O)[C@]2(Br)CC[C@@]1(/C=C/[C@]13CC[C@](Br)(C(=O)C1(C)C)[C@@H]3Br)[C@@H]2Br	100747179	KCHBNJFXKOPVID-BNZNSMSZSA-N	616.026	6.115	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	101305006	KBYFVYAXAYINPZ-RUZDIDTESA-N	548.039	6.247	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl	102078836	TZLPWZSETLUYLS-NRFANRHFSA-N	563.304	6.557	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccccc3Br)Nc3ccc(Cl)cc3[C@@H]2[C@@H]1Cl	102682166	RBCMVAUBLNSVGY-IRFILORWSA-N	550.305	8.049	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Oc3ccccc3)c2)=C(C#N)[C@H]1c1ccccc1	102807112	NIZHTMOBURDKRU-MGBGTMOVSA-N	602.716	7.194	50	40	KKGB	
CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527903	IABUHMJGHDOUKS-RXMQYKEDSA-N	566.086	7.354	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C(=O)O)cc1	103842106	XBFZEKMOTOGYDT-QRVIBDJDSA-N	588.458	5.872	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2	103887947	WHYQFQAMKUMFFA-GRSHGNNSSA-N	521.367	5.620	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	103889588	NHSNACWZTCURMZ-NVNXTCNLSA-N	526.634	8.078	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc(F)c1	103890394	ASBSLONGXVLKEX-MFOYZWKCSA-N	519.787	7.309	50	40	KKGB	
CN(Cc1cnc2nc(N[Si](C)(C)C)nc(N[Si](C)(C)C)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)cc1	195786850	WGKDBUWDROKOAM-RUZDIDTESA-N	743.179	6.185	50	40	KKGB	
CS/C(NC(=O)c1ccc(Cl)cc1Cl)=C(/C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	198045105	VOJUZLQCKDFNDO-UHFFFAOYSA-O	627.553	8.132	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	408538917	RGWLDWBMNZEORD-MHWRWJLKSA-N	574.235	7.735	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1cccc(F)c1	408542468	LRSAMCSVZBWMDS-JMIUGGIZSA-N	543.332	6.170	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)c(C#N)c1C	408546667	MBNZXDYERIHSAW-HZHRSRAPSA-N	520.610	6.556	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550332	CUXXZRAZFHPYNN-PPDIBHTLSA-N	551.224	5.546	50	40	KKGB	
CC[C@H](C)Oc1c(Br)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	408552108	HIOXBIXWPYDDRA-FSEGOYHTSA-N	514.445	5.993	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1cccc(F)c1	408552240	IJKMSSKFZBYWRA-VXLYETTFSA-N	536.028	6.814	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(Br)cc1	408566938	BRUUROHJIQYYLI-PXNMLYILSA-N	512.766	6.770	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408637521	ABXSVILKGJNACR-NAHVHIFSSA-N	610.730	5.199	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408644443	REQWSCNSSDAJBV-LFUWLEDKSA-N	519.400	5.138	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408756468	ZODQLLJFSFAFIF-SFQUDFHCSA-N	602.419	5.078	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OCc1ccccc1	408766412	QDEFLKIFFMHTJZ-VCHYOVAHSA-N	636.227	6.029	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1	408773503	RCLGKHVXFWPYOV-NDENLUEZSA-N	509.375	6.420	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(I)c1OCc1cccc2ccccc12	408781129	ACOQZUQWTLWTBI-OYKKKHCWSA-N	618.471	7.365	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1cccc(F)c1	408787487	AUOPOTMEXVHXTK-MFKUBSTISA-N	648.472	7.533	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408787609	CPOTZUPYZJHCAR-CAOOACKPSA-N	589.773	5.986	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)cc1	408788507	KLZGOTQFTDQHHQ-HZHRSRAPSA-N	588.401	6.356	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408788714	MELQOLHLOZYOOI-OEAKJJBVSA-N	636.315	8.054	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1cccc2ccccc12	408793393	FCZNWVDSCFIYNU-MFKUBSTISA-N	511.021	7.633	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2I)cc1	408796122	ODRORBNZSPODQU-YBFXNURJSA-N	539.329	5.633	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1	408798613	WGPCIAGXQOTHSY-VCHYOVAHSA-N	515.780	6.558	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1cccc(C)c1	408799122	YBPZOHHBFDDXQS-LPYMAVHISA-N	552.412	6.431	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408799142	YEUYYOXPSLTDRG-CIAFOILYSA-N	534.952	5.348	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408805870	HZTXWLXAAFAPHS-RGVLZGJSSA-N	551.857	8.242	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408810400	KJLMRWOUVGTNAE-UUYOSTAYSA-N	565.420	5.357	50	40	KKGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408825936	BLJIDKXEINELSY-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1cccc2ccccc12	408842622	PBHPXJIARHNQQD-YSYOEVFLSA-N	730.550	8.334	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408848902	WWJADFGHWSNKTQ-NVJOKUIPSA-N	548.220	6.854	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408856556	HQDFLXAFZIWSBZ-STBIYBPSSA-N	548.492	5.826	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	408858673	KGUAGZUGMCFRFD-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1Cc1ccccc1Cl	408868161	NRDNFXSGDNJUGT-CIAFOILYSA-N	523.858	7.255	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408873187	OFBXWEVVYMWKDA-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1Cc1ccccc1Br	408876097	MRXPELDLHLMISC-WOJGMQOQSA-N	619.151	7.509	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OC(=O)c1ccccc1	408878621	CHQMLGZVIGARHP-GZTJUZNOSA-N	603.210	5.827	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408883314	UYVNACPIXSSSET-YBFXNURJSA-N	555.996	5.577	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OC(=O)c1ccccc1	408888369	UVYKNBRKBJAIDI-LDADJPATSA-N	524.314	5.065	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1cccc(C)c1	408949497	IFKLJNVXIFFEMX-OYKKKHCWSA-N	605.476	6.325	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCc2cccc3ccccc23)c(OC)c1	408949619	FUOLRBSPYZPBIU-JGOCILMOSA-N	652.704	5.156	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1	408950972	STQCMXOKAIOSTF-VWLOTQADSA-N	587.485	5.138	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccc(F)cc1	408965405	GYETVWLNZDQFQV-VFLNYLIXSA-N	514.326	5.341	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1cccc(F)c1	408980490	RJAMAPGOAUSPHL-NIVXUIPCSA-N	565.642	5.364	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I	408981696	CMXXQZYDAAORKC-AUWJEWJLSA-N	602.597	5.415	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409011168	MOQDRYUUOJBHTB-KBKYJPHKSA-N	681.193	6.181	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409044367	BPGBMJIOJCHIGX-RQZCQDPDSA-N	504.167	7.307	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409058957	PQWHDVCAKSLWJR-UVHMKAGCSA-N	556.924	5.710	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCc1cccc2ccccc12	409069264	CIQHWMGONNGCBL-ZXVVBBHZSA-N	518.613	7.100	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1Cl	409117615	OGUYQZVEHPXWPP-SAEPALGJSA-N	732.639	6.351	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	409142535	KRTMTRSOFYLZGH-FQEVSTJZSA-N	548.206	5.744	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	409161687	YQZPYNIDHWSUAQ-WCMJOSRZSA-N	631.911	5.396	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl	409175548	SMCITKLEQCMPDK-VPUKRXIYSA-N	612.239	5.010	50	40	KKGB	
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409184401	WRZLDUIMZQQDSV-NGSHPTGOSA-N	658.299	6.171	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c2)cc1OCC	409218023	GUKTYVFDBMMILD-UHFFFAOYSA-N	778.281	8.551	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)NCc1ccccc1	409220389	YLTDMJXANNAMCU-VCHYOVAHSA-N	514.796	5.888	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	409252660	DAGXQKQADVMKTK-PDGQHHTCSA-N	524.802	5.974	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1	409263096	LOLUTRPTWTWYQN-HQDYHJHZSA-N	636.930	6.862	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)NCc1ccccc1	409263704	NUKUELGREJAKJN-VCHYOVAHSA-N	603.698	6.106	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1C	409263748	NZMAMODCZZBOTK-LPYMAVHISA-N	518.411	5.307	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccccc1C	409265546	IUWVXJSGTPFPML-NDENLUEZSA-N	581.410	5.480	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)c1C	409266047	JIYYCXXBGVXBAN-NVMNQCDNSA-N	528.823	6.827	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2Cl)ccc1OCc1ccccc1	409316762	MZXRXKZOJNHECP-OHUYPAJKSA-N	549.454	7.314	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC	409328002	XZWXYPSHWZQSEP-WGARJPEWSA-N	528.359	5.108	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(Cl)cc1	409365868	PHXDNSYXAMKESX-APSNUPSMSA-N	572.511	8.815	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	409371793	IAXMTVFKHTXJPJ-ZRGSRPPYSA-N	659.193	5.215	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1ccc(F)cc1	409372009	DFVULWJEEIXYGB-WCMJOSRZSA-N	598.412	6.334	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2OC)cc1	409380378	LZDRKUCJTYAZII-UDWIEESQSA-N	564.436	5.646	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)[nH]c12	409395433	NLRMTTPTSSUTIF-UHFFFAOYSA-N	552.428	6.889	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395541	OWRULRBGVNDTIF-UHFFFAOYSA-N	755.077	9.957	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc(Br)cc1	409395949	UJPOCRADMOSMBD-UHFFFAOYSA-N	775.089	8.868	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409396037	VPAJXEXWRDEUOX-UHFFFAOYSA-N	726.765	7.913	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1	409396664	ZWJDVYKHQBZMNL-UHFFFAOYSA-N	652.932	8.396	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cc(Cl)ccc4OC)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397323	IQZYHDZPHMGMIK-UHFFFAOYSA-N	632.500	7.541	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cccc2[N+](=O)[O-])cc1	409404183	PDPGWYQIYDHWQM-KMUKQRDJSA-N	621.650	6.264	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)o2)cc1	409409373	OGVDAVAEEBOSGA-LJUMEUDFSA-N	551.628	6.651	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(OC)c1	1529546746	HGFNMGPHIZGDME-DMFIQNIRSA-N	840.478	5.368	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(C)cc2)c(OC)c1	1529547886	QWWCQAVYDGXTLP-YMEQDBNJSA-N	728.609	5.072	50	40	KKGB	
CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)NNC(=O)c3ccc(C)cc3)n2)cc1	651065	BKZUYXFOTRLHNW-UHFFFAOYSA-N	522.630	5.548	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)nnc2-c2ccc(Cl)cc2)cc1	1802233	WRKBKJWGMMYBJG-IPPBACCNSA-N	560.894	6.536	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CC[C@@H](C)C2	1831836	BYMQSYQYLZIXNE-FQZGENGWSA-N	529.445	7.162	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1	1888817	ZNOWBQSAGQMQFQ-RKZIHRPTSA-N	526.420	5.875	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl	1950354	IKJGYUHURBFRFW-UVHMKAGCSA-N	505.771	5.522	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2c(Br)cc(C(C)(C)CC(C)(C)C)cc2Br)ccc1O	3038327	KJHXJJBBJZTMNS-KKMKTNMSSA-N	570.322	6.169	50	40	KKGB	
Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1C(=O)NNC(=N)COc1ccc(Cl)cc1Cl	3069920	FGFLTGMJXBFEJB-UHFFFAOYSA-N	514.196	5.160	50	40	KKGB	aggregator
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1ccccc1	8811004	DTPNVGZSMBJWGX-JFLMPSFJSA-N	513.388	5.208	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)cc1	8817623	ARHISEWMJIXCIA-VUTHCHCSSA-N	507.704	6.074	50	40	KKGB	
CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1	12569773	AVDWAEVFRQWDIQ-TURZUDJPSA-N	518.664	5.339	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	13080669	TZTNKIHFEACSIB-AREMUKBSSA-N	514.676	6.072	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1sc2ccccc2c1Cl	15906785	DOWIZIRUZVINMK-GHRIWEEISA-N	504.999	6.165	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccco1	20136744	OIKFQDKJZBXKQM-VWLOTQADSA-N	513.619	5.665	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)c4cccc(O)c4)c3C)sc3c2CCCC3)cc1	59249269	RCRHISSEFJPEIJ-LJUMEUDFSA-N	526.662	6.065	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	59856524	OLUGXZUHTXKTKX-RUMWWMSVSA-N	541.673	5.978	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc2ccccc2s1	97970391	WRARWGRKBZPEPN-XLNRJJMWSA-N	553.669	5.234	50	40	KKGB	
O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	97980613	AWOKARDRFBZWAD-GIJQJNRQSA-N	596.492	5.848	50	40	KKGB	
O=C(N/N=C/c1cccc(OC(=O)c2ccccc2Br)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	100047139	AIUVLRVGEUQZFT-USKNDPDESA-N	612.436	5.318	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	101717450	IOZAHDDTQYEPSC-OCKHKDLRSA-N	602.812	6.085	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)cc1COc1ccccc1[N+](=O)[O-]	102356150	GUVHCQPRFXLSAV-JEPNHJGPSA-N	590.636	6.949	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl	104899451	ZIEYZCBJWGDMCC-XODNFHPESA-N	520.800	5.713	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCc1ccc(Br)cc1	112254339	UHEIUYSHFRAEEC-BHGWPJFGSA-N	522.193	5.465	50	40	KKGB	
CC(C)(C)[Si](C)(C)Oc1cc2oc3cc(O[Si](C)(C)C(C)(C)C)c(Cl)cc3c(=O)c2cc1Cl	199686222	UVWQZXWKLVBKAO-UHFFFAOYSA-N	525.621	9.021	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408527131	FBQHLYBMHVROFY-PNQUVVCRSA-N	540.767	6.263	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc4ccccc4c3)cc2I)cc1	408548818	LQEBJJQLPNHSDI-QFEZKATASA-N	501.367	7.396	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408550696	GMTUJGGPQLAYBF-FXMZOFOKSA-N	525.219	6.390	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551812	GGRRPYWDHBCMFL-YVLHZVERSA-N	559.247	6.628	50	40	KKGB	
O=C(COc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1)Nc1ccc(Cl)c(Cl)c1	408552894	SBQYHWNBERFQLR-QNVXDBMFSA-N	650.975	8.295	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554048	YQASVWLNVDFFKX-MHWRWJLKSA-N	530.795	6.219	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)ccc1OCc1ccccc1	408554626	SITXIYMPXZCPKI-QMRORBIVSA-N	626.924	7.406	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1	408567312	CWMHNNFQOQWMMD-ZMOGYAJESA-N	507.127	6.560	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1	408582404	NVFRWWMPXADEKB-VCHYOVAHSA-N	517.192	7.002	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408649547	LFCIPTNNLZFXQB-LGJOHJSGSA-N	731.781	6.059	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3C#N)cc2Br)c1	408744704	GOBLKTLMTADYJO-NHDPSOOVSA-N	532.394	5.853	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)c(I)c1	408745607	UDMPLASQSRZRRJ-UNOMPAQXSA-N	512.322	5.863	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408747663	RFJRNJOSAMJXGV-WQRHYEAKSA-N	508.328	5.491	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1	408753314	GIEYXIQGMSBRLE-OSLARZAXSA-N	715.486	5.439	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408775160	ZLEFZMAMOOXJPX-QUPMIFSKSA-N	507.656	5.253	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(C)c1	408787515	BDBHVPXXCGLQJI-VXLYETTFSA-N	585.252	6.861	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Cl)c1	408789294	IOPCSUVVIVBESZ-LZYBPNLTSA-N	611.636	6.971	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1cccc2ccccc12	408790112	NUPARLMAMNCXGB-ZVHZXABRSA-N	541.445	7.352	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1C	408792870	BSOVKTOJAJJUTL-BUVRLJJBSA-N	511.419	7.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408797586	SAAZUVRGIVEPOI-MFKUBSTISA-N	585.454	6.912	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408799829	LSAPWJHMDLRHEI-HMMYKYKNSA-N	517.810	7.380	50	40	KKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408803482	PPDNNKIHVXLLOA-HWFMKSHRSA-N	503.440	6.783	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C)cc1	408814002	GOFZKRLACARLOP-MWLSYYOVSA-N	503.396	6.575	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1F	408819717	SOSOKYJBBSAJKJ-SXGWCWSVSA-N	520.185	7.020	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1cccc2ccccc12	408823100	DPJVONHVKFKDEX-MTDXEUNCSA-N	712.438	9.467	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cc(C)ccc2C)cc1	408825836	ASUZLPREHRBJJI-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC	408829658	OQHKOAPDFGRAGL-DEDYPNTBSA-N	511.405	6.915	50	40	KKGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cccc(Br)c1	408830624	NXTWKSSSPQOZQS-MLPAPPSSSA-N	562.207	5.149	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OCc2ccc(Cl)cc2Cl)c1	408837067	YNJXBFBZEVDOAF-OEAKJJBVSA-N	638.345	8.468	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	408838514	XIALLXGDJGSELF-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408839415	RUIRMZLKZDGIMK-IZYHBKOJSA-N	723.036	8.862	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408844577	DTDCMIOIWWCHHG-KVSWJAHQSA-N	613.317	6.884	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(O)(c1ccccc1)c1ccccc1	408845559	GMYRFIIKBWNFJX-LQKURTRISA-N	541.854	6.233	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1	408848718	XYFUQJFIAQVNRU-FDAWAROLSA-N	572.415	5.693	50	40	KKGB	
COc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408858089	JJYTVURAVXUGGB-KVSWJAHQSA-N	568.251	5.881	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2ccc(Cl)cc2)cc1	408859881	UQRDPHHDZQBQFE-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408860472	WLFBGXVSGFKQJT-STKMKYKTSA-N	558.635	5.122	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1Cc1ccccc1Br	408872402	MRRSAHLCOYMWLB-WOJGMQOQSA-N	574.700	7.400	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCC(=O)Nc1ccccc1	408878171	XIZJJWPVLHRENQ-XAZZYMPDSA-N	630.510	5.614	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1Cc1cccc(F)c1	408880616	GEXBNYPFUXGGPE-SRZZPIQSSA-N	554.403	6.582	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OS(=O)(=O)c1ccccc1	408882196	QKEYDUUSEQHINS-MHWRWJLKSA-N	640.737	6.495	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1Cc1ccccc1Br	408883467	RDUVYZHWEKBFHU-WOJGMQOQSA-N	513.794	6.777	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OCc1cccc2ccccc12	408885485	APNGVVFHOGWYAC-RGVLZGJSSA-N	639.833	7.139	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408891403	QCXBQSXRWOIQRE-LICLKQGHSA-N	545.806	6.819	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c(Br)c1	408897541	XSSAGBHIUPNGBL-XYOKQWHBSA-N	565.605	6.887	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1	408949445	QYPUZUZYQSPIJL-LJAQVGFWSA-N	637.158	5.121	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(I)c1	408950840	SNETVDRAPPQTHO-WJOKGBTCSA-N	813.512	6.671	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408953543	LZJHWHMGTWROPW-ROTLSHHCSA-N	563.202	5.471	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Br)c2)c(OC)c1	408955711	OZPBAZAHYYRTHK-OLDUKCEXSA-N	699.986	5.719	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408970696	CBDBCEQYHLOZSM-SYTXUXDVSA-N	795.329	8.331	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1	408971453	OOXBMSIUQYIRLN-RXKJZGMASA-N	630.967	6.059	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc2ccccc2c1	408982077	FNDYJKCJKUXAFX-YDZHTSKRSA-N	561.863	7.697	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1sc2c(c1C#N)CCCC2	409002392	UGNTYRFYZQKNSA-BCHBDCPOSA-N	576.314	5.901	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccccc2O)cc(OC)c1OC	409006852	RAVDKPOQRKDJDR-TWPMTEIXSA-N	596.592	5.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1O[C@H](C)CC	409009164	BUOLKKZIJWDSPG-BUGPSZFBSA-N	619.681	6.793	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)o2)cc1[N+](=O)[O-]	409016113	SIPKENSUMQJWSG-YSURURNPSA-N	594.159	6.040	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409034788	RAXBBZMIDSQWOB-FJEPWZHXSA-N	522.388	5.914	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1cccc2ccccc12	409213998	WIDFBDOILDSMSR-UCQKPKSFSA-N	529.390	7.552	50	40	KKGB	
O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	409217697	FJWKNCYTGRNYGQ-KYMQWJLESA-N	515.702	6.649	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccccc1Cl	409238670	FFKIWQASXIAMIX-QLTNSANVSA-N	586.857	6.707	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(I)cc2)n1	409245338	RCIIXXOYVYMMOM-OPEKNORGSA-N	611.303	5.282	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccccc1	409267563	NWKBPNXQLCXSTL-ZRGSRPPYSA-N	610.100	5.756	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409271008	SOVHWOKNDDFDJO-VCHYOVAHSA-N	650.300	6.868	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409322701	LKPKOJFOQJPBQQ-MNDYBZJGSA-N	604.885	5.690	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(I)c1OCc1cccc2ccccc12	409380088	HIHLSDIRBKUDSG-KBVAKVRCSA-N	585.486	5.795	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccc(F)cc1	409384568	DNQJWFLRVZARJN-KKMKTNMSSA-N	558.385	6.063	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)c1	409394728	FELLALONCDIKGL-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409395182	KSUIKJFNEOZWOA-UHFFFAOYSA-N	719.739	9.015	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)c1	409395847	SKLDWKHUMYXOKU-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395933	UCVKWLIONNBITO-UHFFFAOYSA-N	695.353	7.821	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398797	VXBMTCCRTXDKOV-UHFFFAOYSA-N	617.445	7.432	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409400795	FMWWXCOPHGKYTA-LQNQUEJISA-N	548.437	6.357	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1cccc(F)c1	409406664	XNLPTIODQHUKEK-FRKGHFGRSA-N	694.985	8.563	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(Cl)cc3Cl)o2)cc1	409408109	IPUGROQCIBBLQV-QMRORBIVSA-N	647.471	7.464	50	40	KKGB	
Cc1nc(SCC2=C(C(=O)OC(C)C)[C@@H](c3cccc(OCc4ccccc4)c3)C(C#N)=C(N)O2)c(C#N)c(C)c1C	1874827	ZAYSMVQCTLZZEH-LJAQVGFWSA-N	580.710	6.263	50	40	KKGB	
O=C(c1ccccc1OCc1ccccc1)[C@@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1	3138092	YVYLOBHOFGAWEU-RTWAWAEBSA-N	519.189	6.256	50	40	KKGB	
C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2NC(=O)Cc1ccc(N(CCCl)CCCl)cc1	4830921	NYHIYBJOBCXRTR-FEWUNMPKSA-N	529.552	6.260	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3N[C@H]2c2ccccc2Cl)[C@H]1Cl	8425545	MFHGWWLWCZKEAZ-SIOFMKSISA-N	540.299	8.594	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccc(Cl)cc1Cl	9614420	IELMTYUMYFSEJL-XODNFHPESA-N	501.366	5.367	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/C(Br)=C\c1ccccc1	13595542	JGGJUKZZMKMPFL-FLFUNREMSA-N	505.441	5.715	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccc(C)c(Cl)c2)cc1	20207186	IBBMJSZPMKLYLT-UVHMKAGCSA-N	508.402	5.095	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)cc1	20243752	BRRQCSBNOUFQJA-FCLYZYNOSA-N	504.881	6.449	50	40	KKGB	
C/C(NNC(=O)C(c1ccccc1)c1ccccc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	20288051	ATNZFUXYCFXACA-MEFGMAGPSA-N	504.565	5.304	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1)Nc1ccccc1	28214716	REEKAADTWKJPSR-FMFFXOCNSA-N	518.617	5.026	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl	32519967	LLRDDNVKTLKYOH-KKMKTNMSSA-N	516.406	5.965	50	40	KKGB	
CC[C@@H](C)c1ccc(OCCOc2c(I)cc(/C=N/NC(=O)c3ccncc3)cc2OC)cc1	97957912	BUQQPTVVGANSIR-SVMUSQEWSA-N	573.431	5.430	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	97961798	ZGFYWTHEKLNIBX-UVHMKAGCSA-N	536.209	5.677	50	40	KKGB	
CCOC(=O)C1=c2s/c(=C\c3ccccc3OCc3ccccc3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(OCc2ccccc2)c1	97966333	OFSPVEBKXYQUIA-WOVIOCMPSA-N	641.749	5.059	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(Cl)c3C)=C(C#N)[C@@H]2c2ccco2)c1	98048494	WOZXHOCVYMQIDP-HHHXNRCGSA-N	579.078	5.965	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1	100828085	JEIQRXOVKBANRQ-HVBJHMBASA-N	524.429	6.067	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccc2ccccc2c1	100899072	PWUCFONMSLVXAH-MNBJERMJSA-N	546.483	7.027	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	101304933	XYDVRQLVUSDHRZ-VWLOTQADSA-N	548.039	6.247	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Cl)c(Cl)c3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	102808604	GKWYMLJTVRFKAJ-JOCHJYFZSA-N	556.902	7.445	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)c1	102934536	IMVOLSYRWNAAHO-NVMNQCDNSA-N	594.225	7.664	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc1COc1ccc([N+](=O)[O-])cc1	103253712	OLIBVAHFLOSJFA-GDLZYMKVSA-N	595.612	6.031	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](Br)CBr	103527500	PXYDGESYUICOAX-UWTATZPHSA-N	505.894	5.884	50	40	KKGB	in-vitro
FC(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528801	ABAHPVKRQVWRDP-REOHCLBHSA-N	592.002	7.117	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4ccccc4C)c3C)sc3c2CCCC3)cc1	103866340	MLFUIGGGWLXIQU-BWAHOGKJSA-N	548.712	7.449	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Br)cc1	103886485	YVIJWNFILSOOFZ-SXGWCWSVSA-N	555.210	5.027	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl	103898720	AYWPYJOGPHVIEA-KKMKTNMSSA-N	578.872	5.982	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(Br)cc1	104401980	IBBTXOJBJPDVGE-UVHMKAGCSA-N	611.128	6.716	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	105586083	YFILAXSVKJHRLG-JBASAIQMSA-N	542.617	5.453	50	40	KKGB	
Cc1ccc(N/C=C(/NC(=O)c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	105969447	VJRKWQHYOTVURB-MKFPQRGTSA-O	513.601	6.630	50	40	KKGB	
FC(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341858	MSKVGSTXNAYQEI-UWTATZPHSA-N	942.051	11.564	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1cc(Br)ccc1O	150420713	WFRPSBLLPWZOGY-VPGWSJPTSA-N	637.446	5.030	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccccc1	408537436	FCJYGOGSKLUENX-TZRCHIKKSA-N	668.819	9.183	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)ccc1OCc1ccccc1	408539662	XWPYKZOLTBNMRE-DLUHTUDBSA-N	847.029	11.053	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2I)c1	408550759	JQYPKVIFDJODTJ-VXLYETTFSA-N	705.359	7.141	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552929	SMDJJVFVWVVYRD-PXNMLYILSA-N	589.819	6.517	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554054	YQRNFWIPNQRHLP-SXGWCWSVSA-N	670.718	7.213	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCC(=O)Nc1ccccc1	408579588	IFRAVJARNHEETD-CXUHLZMHSA-N	579.221	6.688	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408581711	YZQRQRMUHIJVMM-CXUHLZMHSA-N	508.810	6.796	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408599150	PJJAAWFUBRTBFM-RWPZCVJISA-N	544.287	6.852	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408637791	BDOOFGCBRZSDDH-YVSFHVDLSA-N	662.118	5.064	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408638089	BUOLIARKAFKYRI-YSFYHYPLSA-N	806.118	7.682	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccccc1	408675923	CJTPSHLUPYFTDZ-RDRPBHBLSA-N	522.443	5.791	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccccc1C#N	408676181	GPWSPXDPTJLSSU-OCSSWDANSA-N	533.426	5.272	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCc1ccccc1	408711693	GHDZTISHCSTRKB-DHRITJCHSA-N	612.205	5.247	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408728117	HWHRJHGGQZGHJM-KKMKTNMSSA-N	585.853	5.218	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc1Br	408736363	BCSKWJIKXHQJRX-XHDTVTNOSA-N	594.304	5.145	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc2c(c1)OCO2	408741123	GUOOGNZSWHBVCK-ZDLGFXPLSA-N	507.340	5.311	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747991	WQORWOGEUJHOBP-MNBJERMJSA-N	533.397	5.553	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cccc2ccccc12	408763740	JVMJETNLPDQNCJ-AMVVHIIESA-N	605.259	7.103	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1cccc(C)c1	408763844	PEYQAFLMGFLQHC-XKZIYDEJSA-N	566.293	7.373	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1	408764402	RRUQYWVLXGKMTK-QGOAFFKASA-N	531.417	6.014	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1c(Cl)cccc1Cl	408771249	DWBAYRGAPKRFFN-YBEGLDIGSA-N	579.221	6.731	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(I)cc1	408780600	FYFKXWYYDYVEFD-PXNMLYILSA-N	555.210	5.073	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2I)cc1	408795762	MZYORSCMJXIYQQ-GIJQJNRQSA-N	665.225	6.237	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Br)c2)c(C)c1	408801168	RWYCUVQXZRKLFU-BUVRLJJBSA-N	525.446	7.652	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1cc2cc(Br)ccc2o1	408806198	AEOAPKBYMDMUSD-FXMZOFOKSA-N	536.184	6.984	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408831295	PCXUQXSCVJSSKT-JJIBRWJFSA-N	618.325	7.915	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1O	408838063	BVIZMVZNXHGMNM-KKMKTNMSSA-N	514.390	5.939	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1cccc([N+](=O)[O-])c1	408841878	IJJYJURFQJDCBW-XAZZYMPDSA-N	585.564	6.094	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(C)(=O)=O)c1	408862441	JMESVQXSFJGYCE-VFLNYLIXSA-N	645.359	5.268	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	408864529	WWUSSTLJEADYLQ-BIZUNTBRSA-N	533.459	6.340	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1cccc(F)c1	408864845	AJDCVGYRNVSFGG-SRZZPIQSSA-N	569.427	5.806	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	408869429	DJUOXAKNMOUKSH-XKJRVUDJSA-N	561.422	5.916	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC	408876219	NXOOSGZCEAVBPW-XODNFHPESA-N	615.333	5.427	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OC(=O)c1ccccc1	408885995	CKAKLQKQKPBDQA-WOJGMQOQSA-N	536.338	5.521	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408888451	ZYCKAVAFIHTIRZ-VCHYOVAHSA-N	654.673	6.982	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1cccc2ccccc12	408891522	RWWMGKYPJWNGQY-FYJGNVAPSA-N	557.400	6.434	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408898822	NCKPUKQUVJDJJS-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)ccc1Br	408905230	VMBAEIMUPQRLPK-MYKKPKGFSA-N	504.772	5.882	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccccc1F	408948190	OYZUTLDDJXVCDR-MUUNZHRXSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)c(OC)c1	408958610	ZLXRPEKKFXYGOT-FWSRZAFXSA-N	695.567	5.074	50	40	KKGB	
CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408971386	NPWUKPQLPIKKST-YIYOTFDPSA-N	602.471	5.182	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc2c(c1)OCO2	408982557	HQCRGVUIBLINFZ-QGMBQPNBSA-N	555.812	6.273	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccccc1F	408985254	WBOAHYUPZYULNB-YBFXNURJSA-N	590.820	6.916	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408995748	DNELABLNTJSZLS-BIZUNTBRSA-N	582.569	5.238	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409002747	PRACDIZZNALVHD-FDMPGDAISA-N	568.029	6.374	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409018187	YGRSAXRQVVQEIM-OJYCWLPVSA-N	567.686	6.040	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409018758	ZAPUUUMQSHVWKQ-BADBGYPBSA-N	644.083	7.194	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)NCc1ccccc1	409043432	FGLXXELJISZFLQ-RGVLZGJSSA-N	526.228	6.014	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(F)cc1	409045058	XYKSKFXSKWLDKR-CXUHLZMHSA-N	548.181	6.614	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409047926	NRDVWSKEXYMZIT-NTEUORMPSA-N	526.376	5.036	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1OCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409048511	OYABVGVUCKJYTG-QNVXDBMFSA-N	778.215	8.761	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	409060358	QTQKOUIIPNRXCS-IPBVOBEMSA-N	563.265	5.781	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409065806	UIQZSVPWVSJMPG-PXLXIMEGSA-N	527.581	5.313	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	409082250	RSGZUMHERBGDAL-OVCLIPMQSA-N	602.195	6.674	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1	409152187	DOXPNJQDNHGNCA-PNQUVVCRSA-N	553.324	5.119	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c2)cc1	409218528	FPPIUOXJIKBYLO-UHFFFAOYSA-N	556.416	5.993	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)c2)ccc1OC(C)=O	409223177	FKZALSXOAQKYQP-UHFFFAOYSA-N	616.026	5.518	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1	409234230	JGPMOVTWLCOTAZ-OJSPLJLUSA-N	506.356	5.721	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1	409235616	CJVGVOKOHDNABO-MUXKCCDJSA-N	519.798	5.912	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409255464	ZYBVFJRCHUISTM-JAIQZWGSSA-N	548.983	5.827	50	40	KKGB	
NC(=O)COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409270689	HCERVPYTLJAOLR-ULPWCQAASA-N	629.334	5.707	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1OCC	409310241	SQZPYFFTHGYLCX-MBTHVWNTSA-N	640.350	5.849	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	409321765	HLJJQNZTKONKFU-DBFSUHOCSA-N	590.858	5.218	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1OCC	409323731	PLZHWRLLNVKPRD-NUJZUDFISA-N	594.275	6.491	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OCC	409324393	SQRPCMAQWYZYLF-BVMLUPFRSA-N	565.881	7.186	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)NC(=O)C[C@H]1c1ccc(Cl)cc1	409324491	ULFXEBRQEFFGRM-AWEZNQCLSA-N	500.329	5.723	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(Br)cc1	409371063	AMRGPNLHAQRDPK-XKZIYDEJSA-N	505.368	6.738	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)C2CCCCC2)c(C)c1	409373009	RXUBFEFDSGGNNH-RGXNXFOYSA-N	547.721	5.665	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccccc1OC	409375509	LTGRXJSMHWNBFW-BKUYFWCQSA-N	578.463	6.036	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409384673	FFRFCJAXASQFDH-XODNFHPESA-N	598.431	6.012	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1cccc(C)c1	409384899	FVDBVVCJYJYJDB-CCVNUDIWSA-N	568.449	6.622	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccccc1F	409387962	ZGIKAAJLNJSEAS-KKMKTNMSSA-N	605.385	5.905	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)c1	409395197	KVZIGSJZXDXBCR-UHFFFAOYSA-N	711.794	8.014	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)c1	409395430	NLIQDEKINPBSMJ-UHFFFAOYSA-N	618.487	7.742	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(C)=O	409397175	HCIDJCJNYQVLNN-UHFFFAOYSA-N	642.064	6.423	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397225	HOSWVJRANFZZEM-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409399363	ZYDLWNNXRYIZBP-UHFFFAOYSA-N	732.789	8.782	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(Cl)cc1	409402088	JACIKVRGRYRQCR-VHFSBPNMSA-N	662.968	8.034	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409402645	KJMGHILQRNCXHD-WBIBEUCMSA-N	734.547	7.521	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc34)o2)cc1	409405087	SBQUPAXBLNFOJC-DBSPGSINSA-N	614.658	7.670	50	40	KKGB	
C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Br)cc4)o3)c2C(N)=O)C1	1243416	QKJSKFUCAXEKTM-WDGDVPDHSA-N	510.413	5.540	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2C)c1	2349242	SUDISMGQSIHJDU-KVILUOORSA-N	502.039	6.330	50	40	KKGB	
C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1cccc(Br)c1	2741951	JBTDNGHDZLXCRG-AMBXXVILSA-N	585.531	6.426	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2Br)cc1	2773423	BBAONPJKKYKBJC-DHRITJCHSA-N	576.519	5.377	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1Cc1ccc(Br)cc1	4047939	SMESBQYQPBYYDA-ULJHMMPZSA-N	520.430	7.459	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCC)c(OCC)c3)cc2)sc(C)c1C	6167409	FPBXJZNOPFCHFM-LVGRRZFUSA-N	581.691	5.509	50	40	KKGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)CC1	8384206	QCRPNYZJZWXMOH-UHFFFAOYSA-N	544.039	6.263	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cccc(Br)c2)cc1	8386297	MPUISLKBQINCFM-AJSAZLRBSA-N	525.834	5.090	50	40	KKGB	
CSc1ccc([C@H]2C(C#N)=C(N)OC(CSc3nc(C)c(C)c(C)c3C#N)=C2C(=O)OC(C)C)cc1	12372117	OMSNFEXPKRYCLM-QHCPKHFHSA-N	520.680	5.406	50	40	KKGB	
Cc1ccc(C(=O)Nc2sc(/C(C#N)=C/C3=Cc4ccccc4O[C@H]3C)nc2-c2ccc(C)cc2)cc1	16733985	IXXPQQIIZZAHSF-WATSXHCISA-N	503.627	7.451	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1	20060926	TXHXRPRMPWIQMJ-OCSSWDANSA-N	518.038	5.322	50	40	KKGB	
Cc1ccsc1/C=N/NC(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2	22824122	FGFRLCDHVSJZDV-CCHPRADZSA-N	501.456	5.452	50	40	KKGB	
Cc1ccc(C(O)(C(=O)NN(C(=O)c2cccnc2N2CCCCC2)c2ccccc2)c2ccc(C)cc2)cc1	33354566	UXRLFICSFKVZKP-UHFFFAOYSA-N	534.660	5.303	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	33355074	HUHDFULZZUYTIU-OKCVXOCRSA-N	565.636	5.974	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc(I)c1	59447257	WXEXKRCTLVPTOM-JVWAILMASA-N	506.343	5.787	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)CCCCC)CC[C@]4(C)[C@H]3CC[C@]12C	70698291	UYCWFCMOPJKMKJ-WKZZGJBKSA-N	533.281	10.416	50	40	KKGB	biogenic
O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1cn(-c2ccccc2)nc1-c1cccs1	96019878	RRDPGZQGDBNREB-UHFFFAOYSA-N	536.642	5.590	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	97950970	KKDKPQKTYHARSF-AREMUKBSSA-N	549.483	6.700	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)c1	97965851	AMJSCOJUEHPACA-ZXTCRCEHSA-N	635.120	7.544	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)NNC(=O)c3ccc(COc4ccc(Cl)c(C)c4)cc3)cc2)cc1	97980605	QTZGXQSTLHIDJN-CNHKJKLMSA-N	606.100	5.511	50	40	KKGB	
CCOC(=O)C1=C(COc2nc3c(cc2C#N)CCCCCC3)SC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	98043747	QPZDNPPJSSWLDZ-DEOSSOPVSA-N	535.069	5.686	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)n1	100372678	DJBDPEGLVASOJC-CCVNUDIWSA-N	535.467	5.831	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1cccc(Oc2ccccc2)c1	100837140	ZQCYNMWRBISYOC-ZCTHSVRISA-N	546.096	7.138	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1	100858713	ZMMFCZNFVBZBKI-QQXSKIMKSA-N	551.426	5.238	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	100925301	ZPNWKTIRAOCRJC-KVILUOORSA-N	536.484	6.087	50	40	KKGB	
Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc21	101149256	YPPXRKUPXBGJPP-NKFKGCMQSA-N	534.645	5.275	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1	102512693	WVFPBCISKAFBSS-IXDWGBGWSA-N	564.465	6.451	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1cccc2ccccc12	102934368	MVYJROIYZHHLHW-HZHRSRAPSA-N	604.444	6.976	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	103528623	RYSYRRQASMLQKN-IBGZPJMESA-N	512.429	9.639	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccc(Cl)cc1Cl	103754231	RUBHLRDHGAFRLE-VVEOGCPPSA-N	593.473	6.912	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)c2cccnc2)c2ccccc21	112255640	SCEJZDARMPRAIL-AXBAISPRSA-N	547.014	5.010	50	40	KKGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2sc3c(c2C#N)CC[C@@H](c2ccccc2)C3)C1=O	113481806	PPJKPSKLHGAKLC-CLOONOSVSA-N	535.654	5.628	50	40	KKGB	
CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@]2(CC[C@H](Br)c1ccccc1)[C@@]1(CC[C@H](Br)c2ccccc2)C(=O)[C@]2(C)CC[C@@H]1C2(C)C	150343156	OTDWURFYQOPABZ-RQHUAMRDSA-N	696.608	10.842	50	40	KKGB	
COc1cccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3Cl)CCCN2Cc2ccc(N(CCCl)CCCl)cc2Cl)c1	150373362	BBSWHVLTEVQNGK-UHFFFAOYSA-N	721.428	8.977	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\Nc2nnc(N/N=C/c3ccc(N(CCCl)CCCl)cc3)c3ccccc23)cc1	150375008	CAMLFZBPGVUOEP-FHNKLNMBSA-N	646.454	7.090	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	164695413	SUQZQCKMXVBGHS-STZFKDTASA-N	660.204	6.809	50	40	KKGB	
CCCCCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408538746	QCHSDEPGAUDMCM-ALQBTCKLSA-N	611.595	8.982	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OCC)c2)cc1	408540049	MFXHXQKAHMXKOZ-GKVNEZTPSA-N	601.143	8.012	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408543500	RMERGBJRYLONLM-LSCVHKIXSA-N	590.257	6.977	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccccc1F	408544146	SLRIGYPDTXMKLR-NVMNQCDNSA-N	525.330	5.420	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(Cl)cc1	408549839	AAZQNXQGCSAQAV-VCHYOVAHSA-N	538.456	6.939	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2o1	408551101	BDJAANOGKMXCRB-OQLLNIDSSA-N	543.204	6.979	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408554286	RJDFUUOGOQNZDK-WOJGMQOQSA-N	597.332	7.148	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1cccc(F)c1	408568043	HTYKHNVOVFDGBF-IUXPMGMMSA-N	557.338	6.488	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408638163	CBOYLWPXPJPMBP-UONLAYADSA-N	714.065	6.806	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	408659064	VMTAXRPZZPEQDU-BFNJWEDLSA-N	643.954	7.123	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(N2CCCC2)cc1	408676535	KGQZCYFAUOJFED-WKULSOCRSA-N	591.731	6.808	50	40	KKGB	
O=C(O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	408681895	JQSAPPVZCTWQMQ-TZIWHRDSSA-N	533.172	5.902	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408711600	BCVMXTFJJCPXMH-MUXKCCDJSA-N	674.704	6.220	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408726233	MFQZUOCUEDLNTL-RPPGKUMJSA-N	675.648	5.729	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C\c2ccc(-c4ccc(Cl)cc4)o2)cc1)CCCC3	408729762	CNIKRHZQIMLMOT-ACXHZZMFSA-N	543.048	6.312	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(C)n(-c2ccc(I)c(C)c2)c1C	408740638	CRRFDCLTJZEWMV-KEBDBYFISA-N	531.401	6.016	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1cccc(F)c1	408745040	OWNNASWZHBVHGM-GRSHGNNSSA-N	542.348	5.872	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(I)c2)c1	408745123	POVUPMGXJCMGCX-OYKKKHCWSA-N	544.392	6.878	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1	408759660	IYQQGNXHAAOORU-RPPGKUMJSA-N	522.182	5.748	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OCc1cccc2ccccc12	408762926	NCUGCZURLVDSSK-FYJGNVAPSA-N	592.287	7.498	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1	408762993	DDALVDSIRMBNNX-YVLHZVERSA-N	546.646	6.990	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@@H]3C#N)c2C)ccc1I	408773971	NKOURRQJSGEVGI-IOKSCNFSSA-N	546.416	5.215	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408789567	KEJMDHCJDCNGJA-CIAFOILYSA-N	550.409	6.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cccc(F)c1	408792774	CEXABHWWBZVXAH-CAOOACKPSA-N	611.238	7.260	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795079	KXHZQTMMZNWLIN-LFVJCYFKSA-N	665.325	7.757	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1C	408798833	XLJILPSDIDGWAD-DJKKODMXSA-N	679.252	6.546	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1cccc2ccccc12	408808279	FKXSSSVPCYMNKW-MYYYXRDXSA-N	571.471	6.812	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408815434	QGADUMFMRRPBDA-WOJGMQOQSA-N	560.673	7.298	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)cc2)cc1	408821764	KDESNUSXUAUQKV-MFKUBSTISA-N	598.453	7.369	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408825441	JYGRAQLHHPARRN-HZHRSRAPSA-N	618.871	7.714	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408830187	OKFCZZJQUIQYOS-JJIBRWJFSA-N	539.975	6.952	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc2c(c1)OCO2	408849740	YFEVMMSFOIGKII-WBIBEUCMSA-N	685.518	7.138	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408851471	KJJXCQICIVGEIT-WBIBEUCMSA-N	680.373	8.707	50	40	KKGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408860904	HWLMRBJYZYRXBD-QNKGDIEWSA-N	594.649	5.673	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408863365	MCLWZTCUZRUHPO-ATZGPIRCSA-N	721.855	6.798	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1	408867689	JQGGACXEVZLDMR-BGABXYSRSA-N	505.684	5.667	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccc(C)cc2)cc1Br	408875016	HNCNJODNKXCZSI-MUFRIFMGSA-N	588.524	5.147	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccccc1Cl	408878371	AYEOTPRUHRQZRM-RQZCQDPDSA-N	580.693	7.933	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1	408882677	RSLCCEWFRGXMTH-FOWTUZBSSA-N	562.239	5.525	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1OCC	408882842	PCIZELWKKYETRG-ORBVJSQLSA-N	709.346	5.143	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Cl)c2)cc1Cl	408885684	DUQDENMWKIGYBP-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408889254	BEMKPQKEDLEOJR-XNTDXEJSSA-N	562.785	5.324	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	408889481	HHHVDOKXWKBRLD-MHWRWJLKSA-N	576.812	5.633	50	40	KKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)c2)cc1	408891228	NEPMSOTYIOLSRF-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1	408895591	LLTCLAGFZLLWTF-LDADJPATSA-N	544.776	6.078	50	40	KKGB	
O=C(COc1ccccc1Cl)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408908692	AZFPIIQNGQWPKE-WKULSOCRSA-N	523.814	6.364	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c(Br)c1	408921831	CIBJEQLIUWDJLJ-FRKPEAEDSA-N	582.123	7.780	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1	408944213	ITGMATCDSWQEOF-HHHXNRCGSA-N	734.442	5.815	50	40	KKGB	
COc1cc(Br)c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969600	QMRPTPCUUBWKTF-WVMIMECUSA-N	623.331	5.418	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969767	UFBYCZGVPVGGSO-DSSCVVGDSA-N	637.358	5.808	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1	408971326	FXYIGBHUMOUEJM-ZWBSKHKDSA-N	833.292	7.102	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408971664	LENVEFORJCCVNK-RCIBEZFCSA-N	778.325	7.751	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c2ccccc2)cc1	408983018	ZVUUTIFPEZZJCD-FUGGPRTCSA-N	606.542	5.897	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	409011535	GAXAALRIVNIZAU-ZHDAQUIUSA-N	540.458	5.386	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12)c1ccc(Cl)cc1Cl	409045378	PLVBHUVBFGEDGA-IXKADDJXSA-N	645.886	6.522	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1nc2ccccc2o1	409047628	OXDCQCHFKRMFKY-CXUHLZMHSA-N	544.630	7.649	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409065461	SKVSTSIBJNJQDO-GZTJUZNOSA-N	517.390	5.624	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409141279	MUNVUUPOYIVWDR-QIAFAXPKSA-N	599.252	5.759	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(OC)c3)cc2c1	409186983	KMBPINKRSQRWTO-NUJZUDFISA-N	522.941	5.535	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409194437	LJQMDIIVKPVUFY-UVHMKAGCSA-N	530.806	5.201	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409220428	ZEMFBZISVCCGNR-UHFFFAOYSA-N	648.068	5.618	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)cccc2[N+](=O)[O-])cc1	409225166	PDXDYLUFKZBIKY-JTLFNLOMSA-N	578.581	5.547	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409225373	PPCPTYHSJHFZTC-UHFFFAOYSA-N	621.831	6.246	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Cl)c1	409267651	VKSVQBWGJGNANZ-JAIQZWGSSA-N	508.405	6.482	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1OCC	409321764	HITSUMMTBXWVJM-RHANQZHGSA-N	507.974	5.085	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccc4ccccc4c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409322906	LXPPFZOQDNHILJ-DNQXCXABSA-N	507.011	5.563	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1	409325582	ZJVOVXPCFZPAPC-SFHVURJKSA-N	518.864	5.684	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1	409351951	XZGGWNCMRULUJJ-ODLFYWEKSA-N	501.751	6.596	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409358288	DNLIORIMCSKVSM-NUJZUDFISA-N	550.280	6.735	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409366289	ZTOBRIARBZLJBA-YSYOEVFLSA-N	770.024	8.131	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	409378967	SYEIRUCPIZQZDB-ATVHPVEESA-N	540.801	5.674	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)cc1OCC	409394855	GTHJPQBTNJERDY-UHFFFAOYSA-N	818.744	9.556	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409397130	GPVGVBZXIWZGGI-UHFFFAOYSA-N	571.464	7.191	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(C)=O	409397194	HHGHCRCRXHCSSM-UHFFFAOYSA-N	632.072	7.559	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409397642	MFRJSKZGWDUWJA-UHFFFAOYSA-N	600.900	7.796	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Cl)cc1Cl	409400421	CZYKITWJWPGYIV-UHFFFAOYSA-N	618.517	7.924	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccccc3)o2)cc1	409406344	BVLKCFVRQXIBTD-ALQBTCKLSA-N	612.480	7.012	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc(C)c2)c(OC)c1	1529545679	AMNBHNYMGODAGT-KZMIEDSXSA-N	728.609	5.072	50	40	KKGB	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)NNC(=S)Nc3ccccc3)n2-c2ccccc2)cc1	2704903	ZBSOLHYVUUSNPK-UHFFFAOYSA-N	516.696	5.342	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)sc2c1CC[C@@H](C)C2	6167128	MGUKFYCYCXLKNF-MZPOQYDWSA-N	602.540	6.526	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Br)cc1	8812405	AGSBJKJGKORBLS-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
COc1cccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)c1	8817572	UALXJEDTGKVAEL-VEILYXNESA-N	506.031	5.537	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC(=O)c1ccc(Br)cc1	9288148	WRDQWOGZOXMAST-MZJWZYIUSA-N	515.791	5.793	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	12250092	FRLBRZFTEUEJNQ-AREMUKBSSA-N	515.038	6.047	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccc(Cl)cc2C)cc1	20060055	QVQWGQJDJNTJBG-STBIYBPSSA-N	506.027	5.456	50	40	KKGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3Cl)c2C)c1	20243654	INZRXSRGLGZYIM-RPPGKUMJSA-N	504.881	6.202	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	20347795	JPCZEUMBUQNXOG-SANMLTNESA-N	514.676	6.072	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	58915095	FXNOGNJPQIFCOS-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	59101724	DNLCDGZONMTWQX-CCVNUDIWSA-N	500.382	5.232	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl	59116939	MRLKMZQXLFENPL-ATVHPVEESA-N	501.797	7.170	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H](Cl)[C@@H](Cl)c2cccc([C@H](Cl)[C@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	68563509	QGMPHGMLCHYYHU-FNAHDJPLSA-N	604.186	7.839	50	40	KKGB	
C/C(=N/NC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1	97965863	PTSDBOYJYXSMIK-QSMNKHRESA-N	599.534	6.599	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1ccc(C)o1	97982292	FGKXULYCUONPDL-MYYYXRDXSA-N	520.221	6.154	50	40	KKGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5Cl)cc4)CC(=O)N3C2)c(OC)c1	98048442	ZIEGHHHULVXFFB-QHCPKHFHSA-N	548.064	6.156	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	100128925	LVWSBWHQCLXQRR-OKCVXOCRSA-N	556.475	5.142	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	100226355	DPHQXYMDLAUJAU-JMIUGGIZSA-N	564.250	7.948	50	40	KKGB	
COc1ccc(N2CCN(C(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)CC2)cc1	100868639	AIDFITWLUCMQOE-CZAAIQMYSA-N	579.171	5.030	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c(O)c1	100973858	ODCDPSUKALYTDQ-KBVAKVRCSA-N	575.760	5.429	50	40	KKGB	
Cc1cc(=O)oc2c(C)c(OC(=O)CCCNC(=O)OCc3ccccc3)c(C[C@@H](Br)CBr)cc12	101509939	ZLSDXVZSIFAWRU-HXUWFJFHSA-N	609.311	5.723	50	40	KKGB	
C=CCN1C(=O)/C(=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)c2ccccc21	102035496	JSBFQWKEBCONHZ-BXZHDPAESA-N	556.066	5.010	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CCl)sc2c(OCC(=O)c3ccc(Br)cc3)c(Br)ccc12	102816884	GOOWPGBEBODUMV-UHFFFAOYSA-N	589.689	6.042	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1Cl	102933127	XWRWRICVDPKDLJ-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	103898912	MQBPMYQBTJYQON-UZWMFBFFSA-N	542.705	5.619	50	40	KKGB	
Cn1c(P(=Nc2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccccc2)ccc1P(=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)c1ccccc1	195529307	AHEOPMMTKBZGPY-UHFFFAOYSA-N	721.694	8.460	50	40	KKGB	
CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1	301054971	RJCWBNBKOKFWNY-BGYZLGFRSA-N	554.722	6.730	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Br)cc1	408530910	MZVANEFWLVLVGP-HMAPJEAMSA-N	519.236	8.008	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)Cc3cccc4ccccc34)cc2Cl)ccc1OCc1ccccc1	408540593	UGMDYAXCLBWHHA-GLJXUZQSSA-N	613.541	8.396	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OCc1ccc(Br)cc1	408601596	BMWBAIAOKYWYEZ-QGZVFWFLSA-N	544.833	5.186	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408639284	FMYVYYLIUJPWQV-NDBXHCKUSA-N	751.255	6.683	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408649105	XLEIITSUXDZKIQ-OAHLLOKOSA-N	825.461	7.318	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1	408724543	BGVOJYYEIVINQJ-MFOYZWKCSA-N	587.224	6.253	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408725617	LGVXTGOFEYRJOU-JAIQZWGSSA-N	583.382	5.950	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Br)cc1	408745661	UUWZXJBQEQWSMZ-KQWNVCNZSA-N	547.449	6.710	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1	408746083	QSXQNOWIYBRECI-NCELDCMTSA-N	544.998	7.919	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)cc2)c1	408746991	XQKGFCOGRRHVAG-ZHZULCJRSA-N	524.358	5.815	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OCc1ccccc1	408754676	LDHUSNKOMDXALK-UNOMPAQXSA-N	650.254	6.419	50	40	KKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408788068	ARRHGWGXROHBNU-PXLXIMEGSA-N	533.422	6.537	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(OCC)c1OCc1ccccc1C#N	408790725	XYJMWVINJUGONZ-AFUMVMLFSA-N	512.009	6.772	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408796280	NNXOETIJELZQLE-YBFXNURJSA-N	665.709	7.008	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(I)cc1	408799341	YPYSFQFGBOMPIH-LZYBPNLTSA-N	658.117	7.494	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1	408819354	RNCKHDLSSIWAAE-GRSHGNNSSA-N	682.150	6.627	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(F)cc1	408820077	UXZUUFHELLGKEG-WQRHYEAKSA-N	560.338	6.093	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1	408820537	YJLSAWCYENDDPV-NVJOKUIPSA-N	715.123	7.056	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(C)cn34)o2)cc1	408829085	KLDQLFONVNEIIZ-LJUMEUDFSA-N	555.660	5.008	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408832505	XHQSVKMAQBGETN-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408833338	JIMZRHGOGSSFFM-VCHYOVAHSA-N	531.823	7.179	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408838814	IUSSGROXWOMOIH-KVAAJVFYSA-N	672.561	7.884	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccccc5Cl)c(I)c4)cc3)cs2)cc1	408842971	KWENOSPTBPKMEP-QNVXDBMFSA-N	757.879	9.226	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC	408843009	PXHMMVYGVWKJTP-LUOAPIJWSA-N	604.392	5.610	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC	408843554	MBIQVZVVQGTPHQ-KVAAJVFYSA-N	711.363	6.473	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1ccccc1	408846826	ZGYYMIPFUJDVDM-FJEPWZHXSA-N	510.541	6.177	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408852586	UOSNBHILWOWZOH-UCQKPKSFSA-N	648.501	5.763	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1cccc2ccccc12	408852924	OLHGEGPSDHPNOL-COEJQBHMSA-N	555.678	7.293	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c2cc(C)cc(C)c2)cc1OC	408873746	VIMXNWPCDYXQAB-IZYHBKOJSA-N	731.065	6.670	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408876847	RGDAROUWKPCLGJ-YQCHCMBFSA-N	568.699	5.600	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408878941	BVBMGCIGAJFEQZ-LICLKQGHSA-N	667.865	5.873	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1Cc1cccc(F)c1	408884554	UUQWOAABLJMCCY-GIJQJNRQSA-N	571.346	5.874	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OC(=O)c1ccccc1	408896586	OOFHZSRNLVCMDP-JEPNHJGPSA-N	623.588	7.451	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408896595	OOSFNORCWHRKBW-XNTDXEJSSA-N	537.808	5.969	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccccc1Cl	408898834	NDCKHNLXFHHNMV-JEPNHJGPSA-N	565.154	7.701	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1cccc(C)c1	408904972	RISNPMWPFHZBRK-MUXKCCDJSA-N	622.301	6.804	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	408921851	CMXAMZHVIJWBQS-WKULSOCRSA-N	501.995	6.456	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OCc1ccc(F)cc1	408924246	MGJWNIMTCZGWNO-LICLKQGHSA-N	572.330	5.262	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408936944	GJXCEKJUXANQII-DHBSWXANSA-N	607.492	7.007	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1cccc2ccccc12	408945467	KWGHFGSCYJWOQR-WJOKGBTCSA-N	860.512	6.513	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc2ccccc12	408964406	RJHSTODJZDMGQY-MHDJOFBISA-N	618.393	7.205	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408967071	SAACRWROPLANAW-RPPGKUMJSA-N	569.324	5.363	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408969021	FXHBSYHAOFRMDA-MBQZLDDGSA-N	665.412	6.589	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408972586	PGLPUOSLWFOIBI-WMOVZUESSA-N	659.397	7.524	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccccc1	408982544	YNSVSJCCNPSOPY-NETJCWARSA-N	557.672	5.143	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)cc1C	408988321	DFLNMVUSICBYJY-LASRHNSSSA-N	637.743	7.198	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)ccc1OC(=O)/C=C/c1ccccc1	408995933	FURZLVHVOXYPPW-ZOBAKAOSSA-N	563.610	5.729	50	40	KKGB	
CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409011899	OZVKURMVJVLTNQ-MIDUAYCOSA-N	541.183	5.741	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409032180	LGWZALDKIOQQIC-QNVXDBMFSA-N	778.215	8.761	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2OCC)cc1	409037210	SOWCGOSSZLITLU-FDALDRLYSA-N	608.094	7.474	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1Cl	409059677	WQYDJKUBKSOSOP-XODNFHPESA-N	583.253	6.648	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409065098	GCATWQWCBKXLAT-LDADJPATSA-N	619.877	5.601	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	409084831	MZPPICPUBSNZJZ-CXUHLZMHSA-N	597.334	5.399	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409086813	XAAKPPKOFNUYQW-CXUHLZMHSA-N	508.874	5.811	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1)S(C)(=O)=O	409120135	RVVTZEGIWOGHOV-FDAWAROLSA-N	549.096	5.786	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C2=C1CCCC2=O	409124398	HGGCEGPXPAZBTJ-NRFANRHFSA-N	588.256	5.429	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	409130288	HDDXDEMIQDZHSF-DPNNOFEESA-N	612.535	6.478	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc(Br)c1OCC	409162368	DFISSQHCQIKJKU-AFUMVMLFSA-N	516.417	5.324	50	40	KKGB	
Cc1cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1Br	409166280	COQUEIZQDPWJHI-VFLNYLIXSA-N	616.310	5.243	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1	409185346	XOYACOLUJDMNPU-RQXXSLPSSA-N	678.767	5.881	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1	409186232	ZFBMBGSVEXWNCB-JJKYIXSRSA-N	505.684	5.865	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3n[nH]c(-c4ccc(Cl)cc4Cl)n3)c([N+](=O)[O-])c2)cc1	409187966	DTVIRPBRSDJCDZ-MHWRWJLKSA-N	551.415	6.692	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409226326	NAAAQUROESTZHJ-IVKFTBJLSA-N	554.488	7.220	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409228052	ZMIZHDURXUDMEW-XQCBVTLMSA-N	558.421	6.628	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409251280	PFNWCXMLOLECTA-KMUKQRDJSA-N	693.538	6.367	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)c(C)c1	409252769	SVXVZNMHYOQCHN-VCHYOVAHSA-N	512.368	6.313	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409260424	QCVIIECCESRMJN-WKIKZPBSSA-N	531.352	5.082	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1	409264748	PVURAXRQCRJDMZ-KMUKQRDJSA-N	586.088	6.716	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409367845	MMZRZNUGTJQGIB-UKWGHVSLSA-N	575.233	7.512	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1	409395898	SZGRVHAXHFMLOI-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)c(-c3ccccc3Cl)c2c1	409395901	TUIGXLJIFYILAA-UHFFFAOYSA-N	695.795	8.313	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395928	UBYPMUSHPJNKGD-UHFFFAOYSA-N	573.392	7.033	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409396752	ASFLYSHGYLVIJL-UHFFFAOYSA-N	673.463	6.550	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409398644	UZINDYDNJIJOSH-UHFFFAOYSA-N	590.001	8.107	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409400730	FGFOWZXYHGMHHI-KMUKQRDJSA-N	568.073	7.571	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	3082575	IQHRGPXOANZACH-LAVRQYKWSA-N	577.706	5.767	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccccc1OCc1ccc(F)cc1	3291894	AUOTXUOPEBYSPJ-ALQBTCKLSA-N	548.574	5.793	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(F)cc3)cc2)sc2c1CC[C@H](C)C2	6167515	QCHLFPQGOZQWGV-DVHOOAJRSA-N	551.640	5.359	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(I)cccc3[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)cc1	6445698	WJCGBVFAUWQBNP-YMNDLRCVSA-N	607.857	7.146	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)c1ccc(Br)cc1	8396366	USZHISJMWQZZGR-RGXNXFOYSA-N	585.531	6.428	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2ccccc2Cl)cc1	20059137	HKNHWQMIJYXFMG-OCSSWDANSA-N	518.038	5.246	50	40	KKGB	
CC1=CC(C)(C)N(C(=O)[C@@H](C)Cl)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21	34776442	NTBKBSLYGXTUGC-RUZDIDTESA-N	506.089	8.225	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	59856620	NEYOJMDIAMQVEC-RDRPBHBLSA-N	532.493	6.027	50	40	KKGB	
CO[S@](=O)c1cc(Cl)cc(Cl)c1OC(=O)CSSCC(=O)Oc1c(Cl)cc(Cl)cc1[S@@](=O)OC	82196884	GYJSTKRYMHRILW-KKLWWLSJSA-N	628.382	5.531	50	40	KKGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1	83301773	ISWKQVMKOICSJJ-LDCYPDTQSA-N	501.410	5.935	50	40	KKGB	
O=C(/C=C/c1cccc(Br)c1)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	97981044	ZAGSUAHKHLVGFE-GVNPZPRUSA-N	531.328	6.092	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	97981070	IMZSYFWILFCGSF-IPPBACCNSA-N	516.932	6.568	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(N)=C(C#N)[C@]21C(=O)Nc2ccc(F)cc21	98007283	ZHVXWPDPYMZCHV-NDEPHWFRSA-N	626.661	6.035	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C(=O)OC)=C(C#N)[C@@H]2c2ccccc2)cc1	98048583	OYRFRNKXGNBCJR-LJAQVGFWSA-N	610.692	5.356	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1	100103079	QJEMKIXWXLDUML-QNKGDIEWSA-N	574.102	6.373	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)c1	100124936	HBUVLIKTCXIZPQ-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)c1O	100371347	KPDBIFXWYKRQBH-FDAWAROLSA-N	564.063	5.522	50	40	KKGB	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)cc1	103042207	GAISJMQBCTVSFG-UHFFFAOYSA-N	594.089	5.136	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(F)cc1	103890551	LRQMORFDXWPTAH-YVLHZVERSA-N	611.238	7.260	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	150485523	OXIBIOHDAQTJPS-KBVAKVRCSA-N	670.542	5.128	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	150494867	UTCAFBJIWDTPPR-FDALDRLYSA-N	661.611	7.569	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	162483923	AHBZJEDWJLHFEO-PTEHHBOZSA-N	746.294	7.996	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795405	YCRGUBLLEWUTAS-OKILXGFUSA-N	986.236	13.482	50	40	KKGB	
FC(F)(F)c1cc(P(CP(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1	169806284	ZJVSUTAUWCEAQR-UHFFFAOYSA-N	928.375	13.360	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1cccc2ccccc12	408550231	FBSMGEBPCQNRQS-QRQIAZFYSA-N	534.453	8.797	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550323	CRMKUPCMCXBEOV-NVJOKUIPSA-N	657.248	5.686	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1	408554136	QIIPBDWPFHWXGT-VCHYOVAHSA-N	573.274	6.936	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408599344	SUSQXBYWVXHNGA-IPPBACCNSA-N	717.183	7.299	50	40	KKGB	
O=C(NNc1cc(Br)ccc1OCc1c(Cl)cccc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1	408602397	DHZFKMCBYWUZCD-OAHLLOKOSA-N	549.252	5.831	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCc2ccccc2)cc1	408606234	PGUAGHJTDWASCO-SANMLTNESA-N	508.603	5.351	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccccc1Cl	408609498	JYZHJLKECUQNOU-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2cccc(Br)c2)cc1-c1ccc2ccccc2c1	408726052	RTRGLLBEWPICLS-UXHLAJHPSA-N	509.407	6.527	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c1	408745314	LJPCTEZFKHVGFR-ZDLGFXPLSA-N	635.150	7.497	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)c1	408745711	OMLIQXHNHKEALT-LSCVHKIXSA-N	511.361	6.245	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3cccc(C)c3)c(I)c2)ccc1I	408747743	SHJHKYUORPPJKG-LGJNPRDNSA-N	626.232	5.556	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)ccc1I	408748034	XHMKBZLZSRIDDI-KKMKTNMSSA-N	660.221	5.395	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Br)cc1	408756275	YLVVTPKEKBDPTR-WJDWOHSUSA-N	545.220	6.319	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccccc1C#N	408757575	AFDNTIGEIWRMLR-JMIUGGIZSA-N	536.813	6.498	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Br)c1	408760493	ZPWDEURREAEWQE-PXNMLYILSA-N	703.087	6.922	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1C	408780717	IYMGQJBEMBJZGA-MWLSYYOVSA-N	503.690	7.724	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCC#N	408790264	ONFXRJOFOKWIJX-NTEUORMPSA-N	505.166	5.058	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)c1C	408790367	PHNLFMXESMYIHM-AFUMVMLFSA-N	511.419	7.344	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC)c(I)c2)cc1	408795750	NBCGQLGRGRUQNO-OQLLNIDSSA-N	616.193	5.017	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	408795937	WQQOOFZBHXSZED-LPYMAVHISA-N	714.297	6.960	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1	408796778	PCFYDMFFAIEQKO-LZYBPNLTSA-N	566.666	7.543	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccccc1Cl	408797833	TWOHCEVJKMSTIX-CIAFOILYSA-N	596.706	8.143	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c1C	408799514	ZJVYRVXVCIXTEC-VXLYETTFSA-N	577.249	7.340	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408823914	GWIVGZGKNQBQQK-VCHYOVAHSA-N	576.274	7.288	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)c(Cl)nc2c1	408829343	PJIBUCMYMFJZQF-XZYGTATASA-N	633.557	7.018	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408832642	YFHOOIWTNNPBIO-XJECJHNESA-N	617.093	6.729	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	408834991	WNKCTBAXBXJISZ-WSDLNYQXSA-N	719.790	8.964	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)o2)Cc2ccc(Cl)cc2Cl)cc1	408836352	QHZNFMCUPXLOFL-BYDMSBDESA-N	667.493	6.394	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408836855	WGZZCWOOIWOQNP-CNCDYAKUSA-N	649.940	5.728	50	40	KKGB	
O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	408839403	RQCVYVVGMPDISD-ATZGPIRCSA-N	583.069	7.248	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408841670	GNVXDHKMQAOICJ-MHDJOFBISA-N	633.469	7.352	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408841979	HLYZDJPQCJOCNF-KULFSUQXSA-N	711.421	8.605	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2F)cc1	408851241	AOVKMWPVDGCFCM-OJYCWLPVSA-N	582.473	7.697	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)c(Br)cc1OCc1ccccc1	408851919	HHTFPMLIOVMCTH-VULFUBBASA-N	532.232	5.953	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	408857588	LEQGLBHXLBFFMU-IBBHUPRXSA-N	576.984	5.261	50	40	KKGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408863182	PZOWPBOSIQDAMA-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1Cc1ccccc1F	408869102	RAWRNOOICBAAOT-CIAFOILYSA-N	507.403	6.740	50	40	KKGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)CC1	408872564	GLMYOTQYGVIXEH-QJOVZPHJSA-N	698.629	5.093	50	40	KKGB	
Cc1cc(C)c(COc2ccc(/C=N/NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1	408880889	IZUDITPCQPEEKT-ZIBFIRQOSA-N	540.085	5.148	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(Br)c2)cc1	408889616	HVAVGHKHMLEINW-OEAKJJBVSA-N	533.422	6.367	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2OC)cc1	408896820	TXZUNGAOQWPKRW-MHWRWJLKSA-N	623.230	6.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1cccc(C)c1	408924628	NHVWAYDXSWVQHD-CCVNUDIWSA-N	570.534	6.587	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408925629	VEANMKBEHDCGGL-FAUQODKRSA-N	706.377	5.674	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408934913	DKBDTTBTHRPXSU-DPNNOFEESA-N	612.535	5.922	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408939657	BCMRYLWWQHMVLL-MUUNZHRXSA-N	692.021	6.119	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc3ccccc3c2)c1C	408948576	PNNFKRNTHREQBX-HKBQPEDESA-N	595.725	5.132	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cc2cc(Br)ccc2o1	408956117	YRRUUGSHKAXBBT-VROXFSQNSA-N	554.647	7.119	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1	408973507	SWOMYEGONYKDGI-USZJHCIXSA-N	677.585	6.055	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C2CCCCC2)cc1	408979120	LLOMPUKEJMDMLR-KMOVNDHPSA-N	546.715	7.153	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	408981874	DFSROIWIQPAOBZ-APSNUPSMSA-N	540.661	8.387	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1I	408983858	NUCKRUUSFGXBTR-AUWJEWJLSA-N	650.638	5.345	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)c(C)n1-c1ccc(I)cc1	408998681	NOMAVLKGXANYCI-NXENVEDLSA-N	752.416	5.343	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCOc1ccc(Cl)cc1Cl	409015927	PPHQJGCLXWPTSH-JDAVSHIBSA-N	606.550	6.972	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	409019533	JQDOPLUDQSXDPU-DZTJYMNTSA-N	549.674	8.517	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409057488	PENAEZQCLOZJMI-LZYBPNLTSA-N	525.741	7.790	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Br)c(C)c3)c(OC)c2)cc1	409161738	ZAKLZCZLDJTVEG-IBBHUPRXSA-N	721.346	5.042	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1	409161959	XQTOGIHJCKDNOI-KCSSXMTESA-N	672.520	5.284	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409177740	CLBKUFUHXZQGDX-FJEPWZHXSA-N	586.711	7.290	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1OCc1ccc(C(=O)O)cc1	409187331	OZTASEFNRMBPSX-UNOMPAQXSA-N	507.340	5.281	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)nnc1-c1ccccc1	409188547	CXVGJMGWSYSLRV-MNBJERMJSA-N	562.611	6.688	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)/C=C/c1ccccc1	409217957	GFGADWPXGCKWMA-QDNOZUHTSA-N	533.584	5.639	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Br)cc2)cc1	409218109	HGWRGDUJTMQDGR-VYYCAZPPSA-N	528.790	5.434	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1	409219876	RDVHZIFCAXYMHF-FZPRHHONSA-N	576.436	6.546	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccco2)cc1	409225766	OPZLWNHLSLESKP-JNRYURQKSA-N	548.382	6.221	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2cccc(C)c2)c1	409226584	VBPRSBVDLPXLRA-UHFFFAOYSA-N	699.783	7.417	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(Br)c1OCC(=O)O)C(=O)Nc1cccc(C(F)(F)F)c1	409228247	WKROWOWJIISIFE-WCIBSUBMSA-N	595.109	5.082	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1	409234597	LVAGGVFEGNQERV-HBFFOVPNSA-N	609.145	7.882	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1I	409239620	HRNBTGBXCGUBBY-WPBJZHHJSA-N	572.184	5.079	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409243527	SDBBZHRAAHZYHK-LZAZYHHXSA-N	521.976	5.680	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409264677	PBHOPEVZVVHFTH-WSDLNYQXSA-N	518.013	6.145	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1OCC	409323341	NQAKINHAPWIVIL-LPEPFOFCSA-N	687.263	7.658	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409362526	HKAJZLOZHYZGPZ-WJDWOHSUSA-N	528.765	5.805	50	40	KKGB	
COc1ccc(Br)cc1/C=N\NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C	409372930	QSXVYYSKWJXAPH-YNFMAFFXSA-N	627.388	6.031	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409373243	PETODKBVLXORMH-IBBHUPRXSA-N	502.401	6.922	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccco1	409394694	DSHGSFACBBKUDS-UHFFFAOYSA-N	654.258	6.778	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)cc(OC)c1OC	409395416	NHOBJLWYPSFERL-UHFFFAOYSA-N	662.924	7.260	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409396086	WFNKATJGLDNUHQ-UHFFFAOYSA-N	666.450	7.617	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC(C)=O)c(OC)c4)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409396505	ULTOFBXURBVFTD-UHFFFAOYSA-N	670.118	7.203	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397100	GCPNPUHNZWWNNE-UHFFFAOYSA-N	595.099	7.245	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)cc1	409397290	IJCNCJJNYCLFGK-UHFFFAOYSA-N	532.987	6.652	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	409402403	KAYMBGLBZZKTBY-DBSPGSINSA-N	634.689	7.254	50	40	KKGB	
COC(=O)COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409404568	QHBMAYFYYWHVHQ-KMUKQRDJSA-N	594.668	5.989	50	40	KKGB	
COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@H](C)CCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2	1777699042	ZMOVORWFEGTIJA-URYVIKHQSA-N	967.557	5.062	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Cl)c3Cl)C3=C(CCCC3=O)N2)c1	1000431	MKXBTWMRLVEPSM-QFIPXVFZSA-N	514.434	5.803	50	40	KKGB	
CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(C(=O)OCC)c1C	2372056	USVRVLXJEZZYDY-ZHZULCJRSA-N	517.632	6.663	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2C)cc1	2395957	SKCPOVZZXZJQJB-NNHPPCHPSA-N	502.039	6.330	50	40	KKGB	
O=C(c1ccc(Br)cc1)[C@@H](Br)[C@@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)[N+](=O)[O-]	4409361	VWWYOBLJATTWNP-HKBOAZHASA-N	537.635	6.851	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	6600631	XPTALYYVOGLNAI-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
O=C(COc1ccc(Br)cc1-c1ccnn1-c1ccccc1)N/N=C\c1coc2ccc(Br)cc2c1=O	8411601	YXXOXKBVHISYAU-CPDSRJINSA-N	622.273	5.700	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	8439515	QAGYHZFLLYIEBR-RUZDIDTESA-N	519.026	5.948	50	40	KKGB	
Cc1ccc([C@@H](NC(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1	8453182	HSSLCFFZTLRYSN-HKBQPEDESA-N	599.668	8.117	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	8455978	XJGMHHMZXQZIHG-QFIPXVFZSA-N	694.786	8.754	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccc(Cl)cc1	9007928	DODOMRSFPRCRHU-FSGOGVSDSA-N	518.086	6.518	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1	13165975	JGXSEUNHMVBNCZ-HSZRJFAPSA-N	512.462	6.357	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	18192944	PLRSXXNOSVETIX-JWICFBHESA-N	515.828	5.634	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	59647277	OLAGRHCVHOJHTF-KEIPNQJHSA-N	585.726	5.935	50	40	KKGB	
COc1ccc(-c2ccc(/C=N/NC(=O)/C(=C/c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)o2)cc1Cl	60028471	OYHSJGYSMCRXFS-ZHGQBWJSSA-N	543.023	5.596	50	40	KKGB	
CCCc1ccc(OCc2ccc(/C=N/NC(=O)c3ccc(Cn4nc(C(F)(F)F)cc4C)o3)cc2OC)cc1	97960736	DZUWVATZIMBDHY-MHDJOFBISA-N	554.569	6.156	50	40	KKGB	
O=C(COc1ccc(I)cc1)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12	97972347	AJTDZDXBTGGVOY-WKULSOCRSA-N	615.265	6.315	50	40	KKGB	
Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2nnc(SCc3ccccc3Cl)s2)C2=C1C(=O)CCC2	98007118	PDXVWNHWTZLHOT-HHHXNRCGSA-N	561.092	5.203	50	40	KKGB	
Cc1ccccc1CN1c2ccccc2C2=C([C@H](c3ccc(C(F)(F)F)cc3)C(C#N)=C(N)O2)S1(=O)=O	100032614	YCEZWXMTYLLQNW-HSZRJFAPSA-N	523.536	5.540	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)cc1	100100118	NKJRFMASMLBCDZ-DPNNOFEESA-N	555.520	6.487	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126239	JOHKARKTMZJDRF-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2ccc(C)cc2)cc1	100242868	BGOIOBWCKNYPFJ-BIZUNTBRSA-N	623.573	5.909	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccc(F)cc1	100833850	AZSYILXOULJEKT-YUMHPJSZSA-N	524.419	5.468	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852074	UZCRTEVIHFLOIQ-KCSSXMTESA-N	589.718	5.509	50	40	KKGB	
O=C(N/N=C/c1ccc(O[C@H](NC(=O)c2cccc3ccccc23)C(Cl)(Cl)Cl)cc1)c1cccc([N+](=O)[O-])c1	102618463	TUSMVJKGHFMMPF-GJDHUYHKSA-N	585.831	6.017	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	102785504	NFJAMIXKSGSRQY-NUGSKGIGSA-N	602.033	5.671	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3nc4ccccc4s3)=C(C#N)[C@@H]2c2ccco2)cc1	102808385	SAXNMDAFEHYEHP-AREMUKBSSA-N	571.684	5.995	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3cc(OC)ccc3OC)=C(C)N2)cc1	102808472	XXAWNYUXVNFCJE-MHZLTWQESA-N	560.632	5.012	50	40	KKGB	
CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(OC)c2)N[C@]1(O)c1ccccc1	102890811	GWCUINQNOSDHLP-ZKKGZRQESA-N	578.090	5.167	50	40	KKGB	
CCCCc1ccc(C(=O)[C@@H](Br)CC[C@@H](Br)C(=O)c2ccc(CCCC)cc2)cc1	103166810	LEYPJICSKLOKFJ-PSWAGMNNSA-N	536.348	7.745	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccs1	103857822	HINBDCFQHCUJJX-AUEPDCJTSA-N	528.653	6.269	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Br)cc1	103883636	OHMRGKMZNCFOAU-JCMHNJIXSA-N	611.334	6.055	50	40	KKGB	
c1ccc([PH](CCOCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104054587	IZHZDFCJDLIJTF-UHFFFAOYSA-N	598.707	6.456	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2	104882370	JKDXWXLWJZSVPJ-VXLYETTFSA-N	532.369	5.543	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1cccc2ccccc12	105185512	CPLUOYRXOOBCAF-UPKTVJHPSA-N	521.455	6.466	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12	112255494	PRCVQIJSHGTHRD-FJSCFOPMSA-N	594.498	6.279	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342126	OEZFEAHVGXHZKL-REOHCLBHSA-N	892.044	10.928	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1cc(Br)ccc1O	150420717	WFRPSBLLPWZOGY-AWYXSTPUSA-N	637.446	5.030	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)ccc1OCc1cccc(Cl)c1	164814042	YOMNLGATKCZCPL-QXUDOOCXSA-N	638.211	6.694	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1ccc(C(=O)O)cc1	408543328	QGCMRRGMBVGZHB-FMCGGJTJSA-N	563.245	7.706	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(Br)cc1	408727858	GWVCKUNDOSPAEY-RUMWWMSVSA-N	610.961	6.960	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccccc1	408741452	JAMGLARBGDWROO-ZDLGFXPLSA-N	650.210	5.719	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1	408744399	FHXZJVOCDNQIMZ-LHLOQNFPSA-N	530.027	8.019	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744569	GAOHGKRMAJEEIB-BOPFTXTBSA-N	549.195	6.723	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)cc1	408744976	OGTHYLCKUVLUFT-UNOMPAQXSA-N	525.374	6.120	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc4c(c3)OCO4)cc2Br)c1	408746611	TWEADLHXISTZLH-GRSHGNNSSA-N	551.393	5.710	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(-c3ccc(C)cc3Br)o2)ccc1I	408747298	LTTGMYKCNFHZMG-KSEXSDGBSA-N	539.167	5.395	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408748203	ZZUKHNPAZCNRAN-KYHGBAKBSA-N	584.297	6.721	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1-n1cccc1	408749965	VMDBJLBEGNVAOS-ZCTHSVRISA-N	524.418	6.736	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408787895	HJKAGVKZMXLURQ-VXLYETTFSA-N	651.284	6.908	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408791645	AEQURQDRMZTAAI-GZTJUZNOSA-N	541.301	5.030	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408801629	VARXXWSWJHEYKX-CIAFOILYSA-N	565.884	8.632	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1	408806953	CKEDCVIBLCZNDG-FXMZOFOKSA-N	644.090	7.450	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(I)cc1	408807123	CBULAMGXKJZFAH-MOSHPQCFSA-N	617.256	7.046	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)c2C)sc2c1CCCC2	408807868	LGVAXWIEVZQOTR-XSFVSMFZSA-N	522.070	6.719	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Br)c2)cc1	408814482	PITDCOWCEANIPS-LFVJCYFKSA-N	569.455	7.212	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408818865	PGJHSQPZVODPQT-LSCVHKIXSA-N	580.693	7.220	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)c(OC)cc1Cl	408828790	WBBVTQKAJYLGDQ-GIJQJNRQSA-N	523.929	5.399	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCc2cccc3ccccc23)c1	408829035	WVGJOMGGMAKDQL-TURZUDJPSA-N	575.064	8.205	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408831609	WFNGYIVNITYLDC-MWBNBJEGSA-N	701.039	6.661	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408834823	MHRRHRBMSRWJIO-BUVRLJJBSA-N	741.274	9.076	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408841497	KUTUHGCYRDUQFV-PUHLOBNQSA-N	664.836	9.053	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(OC)c1OCc1ccc(Cl)cc1	408842382	JQORTSKDXCQIAQ-HASSKWOGSA-N	623.178	8.596	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc(Br)c1OCc1ccc(C)cc1	408856117	AXQBMUBBWZZFQA-XZYGTATASA-N	598.541	6.667	50	40	KKGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	408858148	MUERYKFPIRPBLM-PPOKSSTKSA-N	599.709	5.567	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408861373	RCMLQRLNXJPNRS-PTEHHBOZSA-N	746.294	7.996	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Cl)c(Br)c1	408867488	LBNWQDXSPZPLSH-YBFXNURJSA-N	500.223	7.201	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)c(OC)c1	408870605	WQQUZXXEXIEBPG-CIAFOILYSA-N	507.384	5.269	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OCc1ccc(Cl)cc1	408881188	MELXXGLQBHEBRC-GIJQJNRQSA-N	603.800	6.295	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccccc1	408881357	KZOXROKAORTLTB-DPNNOFEESA-N	640.531	5.830	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408882881	PGVMHUGTIUDVKV-KULFSUQXSA-N	719.485	7.614	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2OC)cc1	408883186	UBCVVCKPDQNJBN-KGENOOAVSA-N	557.400	6.384	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1	408886399	KNIXLDFQTLZLPL-CPNJWEJPSA-N	511.397	5.379	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OS(=O)(=O)c1ccccc1	408887039	NLWSYJRERSPBQE-QXUDOOCXSA-N	659.643	6.999	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	408889713	GBFDVVGJIYJKFZ-WUXMJOGZSA-N	525.153	5.073	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)cc1	408895478	KSXUMQDQFXZPOJ-NCELDCMTSA-N	524.598	5.887	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12	408938850	AJJOWVCEUVAHQJ-JGCGQSQUSA-N	687.616	6.066	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408943486	SVRIFTRAHZIEEI-BIZUNTBRSA-N	622.541	5.378	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(Br)cc1	408950395	JSQAWMMRTFSYOV-MTJSOVHGSA-N	609.318	6.546	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1c[nH]c2ccccc12	408954038	RCDGBYGQIINTOM-BKUYFWCQSA-N	545.393	5.683	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc(Cl)cc2)cc1Br	408954811	ZRUBAVRCUMJBCB-LJAQVGFWSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)c(OC)c1	408958654	ZTODVNAFNVYAGX-IUXXIWHHSA-N	802.420	5.233	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(I)c1	408963743	OXKYZIYSGUVHBB-RPPGKUMJSA-N	511.285	5.481	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	408968946	DIKWOTWQTJCPPY-XIVVKFPBSA-N	622.505	6.075	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)c([N+](=O)[O-])c2)c1	408992301	RMFXMUOYZGPNCS-XSFVSMFZSA-N	617.668	7.010	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1	408999549	UVOXRXOMGZXCRG-MHDJOFBISA-N	625.306	7.300	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(C(C)(C)C)c1O	409016920	UIGUVAKJGFWNPT-SBWWSWLISA-N	569.749	8.876	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409032285	CFJVDRXXBLKWHW-ATZGPIRCSA-N	617.956	8.313	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409038662	PYUNTVFSQMFQPC-CDLBOOTPSA-N	658.010	10.010	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409059372	WVGTYINOQAPENC-FABQOPTDSA-N	626.562	6.231	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)[C@@H](O)c1ccccc1	409144147	XMVYWHJTJRLBKE-CDKHXLPSSA-N	577.640	5.226	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1Cl	409164783	NVIKQOYEACCKHL-VVEOGCPPSA-N	685.302	5.112	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)c1	409184234	GAPRZKCBDIMWFN-FADJLKOXSA-N	609.704	5.782	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O	409185509	ZJPYXNYXIVKHJW-MWAVMZGNSA-N	507.700	5.045	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccccc2F)cc1	409185736	PFMWWYATAJPHTN-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409212446	MISKEZJMRODGDH-MFOYZWKCSA-N	504.167	7.307	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c2)cc1OCC	409222186	CGCKBLMHJRUDJL-UHFFFAOYSA-N	664.940	7.135	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccco3)cc2)c1	409222313	BSZRBORWCRKOQZ-MWLSYYOVSA-N	501.926	5.477	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	409223463	HTUQRNGMYUUMHP-SFQUDFHCSA-N	540.801	5.674	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409249976	KNXWSTNBTLBIFO-QLTNSANVSA-N	586.857	6.707	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409251302	PHBBJCGLXYJVHN-UDWIEESQSA-N	564.436	5.733	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1C	409253092	APMXQAXYQYUQQA-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cccc(OCC(=O)Nc5ccc(C)cc5C)c4)cc3)cs2)cc1	409257820	VIJQEAXXTYQNFY-KMUKQRDJSA-N	589.721	7.260	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409260448	QLDIBHJUXLJEOW-XKZIYDEJSA-N	609.464	6.178	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1)C(=O)NCc1ccccc1	409262277	GLGVFUYEHPHTDL-YBFXNURJSA-N	569.253	5.452	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccccc1C	409262311	GRBVSTUKBBBGHM-YBFXNURJSA-N	649.407	6.580	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	409267244	UFQFJXHCSPHIBF-DHDCSXOGSA-N	535.214	6.863	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OCC	409303240	MPMHIFDLQMVUPY-QRQIAZFYSA-N	547.029	5.068	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1OC	409310442	AFBNANGUAWUCGJ-YUMHPJSZSA-N	561.454	5.087	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409311440	GMLBZWHYEJHHQJ-MUXKCCDJSA-N	503.382	5.752	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	409319175	BONPMJNRNVVXMF-RGXNXFOYSA-N	574.655	5.513	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)NC(=O)C[C@@H]1c1ccc(F)cc1	409323325	NEQXSTVHPONIGH-CQSZACIVSA-N	528.325	5.318	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C)cc2)cc1OCC	409325767	AVEJBNZEPXVDIB-RHANQZHGSA-N	523.427	6.064	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1ccccc1C#N	409372666	GBVXGJKHIDCVHR-VTNSRFBWSA-N	605.432	6.066	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(OC)cc2)cc1	409383050	TZFJSLACBBAGEP-XMHGGMMESA-N	505.958	5.310	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OCc1cccc2ccccc12	409390331	CLJFNASDPKQRBW-FABQOPTDSA-N	615.471	6.747	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)c(O)c1	409390517	DSCFOKBKSZTMIC-RPPGKUMJSA-N	564.230	5.277	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c(O)c1	409393227	WBUKSRYOJPZLTC-KBKYJPHKSA-N	568.649	5.922	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)c1	409395115	KBBKBOFJYYFGKU-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395340	MLNQEYQWFDSWKT-UHFFFAOYSA-N	742.751	7.567	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)[nH]c12	409395896	SYHSAONDBVEIQX-UHFFFAOYSA-N	790.690	8.776	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(OC(C)=O)c(OC)c3)[nH]c12	409395958	UNDNWUVLBQNVTI-UHFFFAOYSA-N	733.413	7.839	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(Br)c4c3-c3ccccc3Cl)cc2OC)cc1OCC	409397105	GGLVYGIXBSAZEW-UHFFFAOYSA-N	721.004	8.049	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409397135	GQNYSHOPSUXMIW-UHFFFAOYSA-N	587.850	7.650	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397154	GXYLBLFEIRWGQQ-UHFFFAOYSA-N	600.502	8.086	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(Cl)c3)o2)cc1	409403541	NICYUWORRDDRFN-BJUCDSOZSA-N	586.004	6.779	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCC(=O)Nc5ccc(F)cc5)cc4)c3C)o2)cc1	409405268	SMXKFPRTRBPEAO-YTJQMYRNSA-N	673.745	7.594	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc(Br)cc2)cc1Br	1529548097	XSGFHQJJRAFUCZ-RZNGARSMSA-N	746.478	5.684	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(OCC)c1	1529549018	RXGFWMPEAMIUAN-VIRGETDSSA-N	731.669	6.465	50	40	KKGB	
O=C(CCCCl)Oc1ccc2cc(-c3nc(-c4ccc(Br)cc4)cs3)c(=O)oc2c1	2207517	MCTVASPEMHYADT-UHFFFAOYSA-N	504.789	6.270	50	40	KKGB	biogenic
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3OC)nnc2-c2ccc(Cl)cc2)cc1	2593541	QKVLXPJNYWDNCC-MUFRIFMGSA-N	552.056	5.246	50	40	KKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1	3090292	OATVKOWCHJUYQY-FJEPWZHXSA-N	581.264	6.146	50	40	KKGB	
O=C(c1ccccc1OCc1ccccc1)[C@@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1	3138094	YVYLOBHOFGAWEU-SFTDATJTSA-N	519.189	6.256	50	40	KKGB	
COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)C(C)(C)C)c3)c3ccccc3n2)cc1OC	8454705	LOXXZIQBHPXXJM-ALQBTCKLSA-N	524.621	6.058	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3cccc(OC)c3)n2-c2ccc(Cl)cc2)cc1	9007548	VLBPHRFVFAYMHI-QRQIAZFYSA-N	522.030	5.237	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1	16739769	OOOZITRURIPGGG-KVHSSYOWSA-N	512.418	5.638	50	40	KKGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl	33355196	VLJJADIGBDCVCW-VNTWQREPSA-N	694.171	6.230	50	40	KKGB	
COc1ccc(OC)c(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1	97957781	DCZFVVPCNYUNNT-MUXKCCDJSA-N	542.448	5.501	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)n1-c1cc(Cl)cc(Cl)c1	97980669	LTJNGENQNJYGOU-MTJSOVHGSA-N	557.503	6.121	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	100063577	LSBLZUQDYBIGQQ-NJZRLIGZSA-N	577.062	6.106	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	100230531	QZVGKUKNARCBHD-NTORBMEISA-N	554.710	6.720	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)cc1OCc1ccccc1	100231787	OGRSMALECMCSCE-CPDSRJINSA-N	580.357	6.047	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1	100289546	UYUDEJVYRFDOMC-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1	101000247	JIVZKRQEVPVWSX-MHZLTWQESA-N	573.074	5.833	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccccc1Cl	102719077	IRVWIKFVRZHLQS-HHHXNRCGSA-N	551.112	5.865	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccc(C)cc1	103898729	BUHYWCVHKYYEAT-HNSNBQBZSA-N	572.731	5.682	50	40	KKGB	
C[C@@H]1CP(c2ccccc2)(c2ccccc2)(c2ccccc2)O[C@]1(C(=O)c1ccccc1)c1ccccc1	104133479	WXQHBTVZSGKQLB-CVYDZTKKSA-N	514.605	6.876	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(Cl)cc1Cl	104402174	ZJZYPYOYGXWTQK-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104700004	UHPWDFPABXKGEW-ZBWQNHCRSA-N	578.181	8.754	50	40	KKGB	
CCCCCC/C=C\C=C\[C@@H](CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C=C\[C@@H](CCCCC)OO)OC(=O)CCCCCCC/C=C\C=C\[C@@H](CCCCC)OO)OO	150339547	SOQCDTNXVWQPLF-PAOLUQBNSA-N	989.426	16.220	50	40	KKGB	in-vitro
C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)Cc3ccc(N(CCCl)CCCl)cc3)[C@@]21C	150361385	YHPXZUQZLHUBSP-PIMMEVODSA-N	908.876	10.633	50	40	KKGB	
CC[C@@H](CCl)[P@](=O)(OC[C@H](Cl)CC)O[C@@H](c1ccc(Cl)c(Cl)c1)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	150385746	HTNSEKFWRQMWCT-XOGMYHPXSA-N	683.201	10.514	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164735833	LNJHJPSWTCXUGI-IUXPMGMMSA-N	653.101	7.357	50	40	KKGB	
C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	196926659	MDDUHVRJJAFRAU-KGMBKDOTSA-N	582.914	9.058	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(C)cc1	209489054	OIMSEPBLBDHZOX-YDZHTSKRSA-N	509.387	6.950	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1	408537617	GJGUMTSNZAVJIY-RRAHZORUSA-N	518.613	7.097	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	408539322	VKGPVZIRLUTCOD-PCLIKHOPSA-N	651.479	8.570	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408555127	VTFDYASPKNCZEF-JFLMPSFJSA-N	560.767	7.920	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Br)cc1	408566089	DHHRBVQOCKADAN-ROTLSHHCSA-N	563.202	5.471	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408598930	LJJWBBLGOXIFQI-IPPBACCNSA-N	578.732	7.505	50	40	KKGB	
COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	408637652	MLKMVKQVVXNAKB-DFBJGRDBSA-N	542.415	5.917	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(Cl)c1	408742393	WJGYQKOTEPUTOD-IBBHUPRXSA-N	526.851	7.397	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)ccc1I	408746921	HUFCLMARDWUFAR-LUOAPIJWSA-N	678.546	6.821	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1I	408759431	DWPNGAHXCGMTRZ-LGMDPLHJSA-N	528.733	5.709	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408789889	SJMADNFXZQEKKI-GIDUJCDVSA-N	556.660	8.087	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408790044	MQGFOWSDNVYVJC-YBFXNURJSA-N	602.812	5.864	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408790208	VCXHIYAYJGOOML-MFKUBSTISA-N	541.445	7.434	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1	408794608	JAJNWPUGUJTSHX-UDWIEESQSA-N	553.384	5.898	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Cl)cc1	408796410	OXZYEQJCAZNQEQ-MFKUBSTISA-N	543.450	8.006	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2I)cc1	408796760	PUSLCUDPJNZVQQ-VCHYOVAHSA-N	563.222	7.031	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408802650	ZVNUZJUHTGVCTQ-PXLXIMEGSA-N	535.438	6.761	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	408820945	ATUFILKUQMOUAE-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408822290	LLDSLPRQDXSIRB-OEAKJJBVSA-N	682.796	8.577	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OC)cc1Cl	408823126	CTHXIUKOTFJKQU-RQZCQDPDSA-N	517.796	6.789	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC	408824763	HPYXYXJAPZFLPS-UDWIEESQSA-N	557.861	7.735	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408830928	UACFIIAODXZYMP-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408837264	BDXDBEYOHKAEMV-PPOKSSTKSA-N	589.117	6.156	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5ccccc5)c(I)c4)cc3)cs2)cc1	408839269	PSWKPOLJJKIZNI-KVAAJVFYSA-N	770.434	8.414	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c1	408839903	DCVHGWDXQIKXEC-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(Cl)cc1	408840304	DIICOKPKBQUROS-ROPCREHHSA-N	589.039	7.229	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408845611	QSDDRLUFDOXTLI-IPBVOBEMSA-N	665.273	6.530	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)cc1	408849971	BXSCPTOXZDMYKN-CLHYIUPASA-N	623.938	8.083	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1Cc1ccccc1Br	408875027	HRKCCHJDEKTEHH-RQZCQDPDSA-N	609.145	8.054	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	408880022	IHLZAXGMRNUJMW-HPNXWYHWSA-N	636.730	5.731	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2ccc(Cl)cc2C)cc1	408892639	IRNWBKGKUCSQQN-OKCVXOCRSA-N	570.502	5.450	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)c([N+](=O)[O-])c1	408921741	BQNVKXDVLPBHLX-RQZCQDPDSA-N	603.344	5.480	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)Nc1ccccc1	408944651	NCPJVZSDXIZLHQ-QDTIIGTASA-N	601.251	5.748	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)c(F)c1	408967694	RTACADQHHFSONL-FJEPWZHXSA-N	549.343	5.798	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1ccc2ncccc2c1	408968286	XWECALBAHHUMLJ-QDTIIGTASA-N	556.258	5.696	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1	408974068	WQSWTKIZNHUBFI-KIJHPLQYSA-N	574.259	5.113	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1cccc(F)c1	408982361	XRPULOFBKYMLDM-OGJVGATRSA-N	589.689	5.672	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OCC#N	409019086	VQUMJCXARFXRFY-UFFVZDAASA-N	563.482	5.135	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl	409028363	MGIFJWCNIHZOTR-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OC(C)=O	409037851	NYPXUROVVVSMOK-MBTHVWNTSA-N	518.367	5.362	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12	409042720	CHXSFZABKIRIJZ-ATZGPIRCSA-N	615.871	7.569	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1	409047267	NYNZIPXTDAXJHC-GZTJUZNOSA-N	517.390	5.624	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	409047703	QBGHTIKCMMYZIH-CXUHLZMHSA-N	564.636	7.129	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409068499	SWDCUEKAKKCZEK-VXLYETTFSA-N	556.312	5.549	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409137560	YDAVKOXWCUJEMK-JEPNHJGPSA-N	684.558	6.207	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2I)cc1	409191551	YZEQOGHTPZDLMP-DHRITJCHSA-N	504.755	5.596	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409219022	MKTYBEOOCPRKSV-FLTUVTEGSA-N	613.026	6.282	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409220315	WQPKLDMQCSLVHY-WOJGMQOQSA-N	510.377	5.874	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc(Cl)cc2)c1	409221770	AUQJIXRLYXCCHQ-UHFFFAOYSA-N	720.201	7.762	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409252068	RXJUTSWAGFBMJE-VXLYETTFSA-N	649.407	6.499	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409256792	NFVFHALRPXSKPB-RQRWGXNHSA-N	719.061	8.458	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(N)=O	409262334	HVVLYUBDSBIOPV-AQLQTECXSA-N	655.518	5.493	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409269977	MZMFOCCWTCLZFF-AEVGBRMKSA-N	745.643	7.874	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OCC	409300724	ALVYRPFQHQBMFF-ZMGVVAQMSA-N	630.923	6.164	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OCC	409312798	NPLSXCUEFHUZSM-APTWKGOFSA-N	591.502	7.141	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1	409363315	LDUIDPNOYVWELH-VYYCAZPPSA-N	530.260	6.100	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc2ccccc12	409368618	FGEYOONPQQYLAD-MNDYBZJGSA-N	605.341	6.250	50	40	KKGB	
CCc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409372360	MUOZHZYQTQWVPS-MUXKCCDJSA-N	583.335	5.660	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409374244	ZMTGQZJXLPPHLR-PPDIBHTLSA-N	567.223	5.945	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409383744	DLVKIKLZVLVEPA-HQDYHJHZSA-N	675.350	6.962	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(I)cc1	409386208	OVVLBSAKIWFYHG-KKMKTNMSSA-N	666.291	6.528	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1	409394836	GMQGHONEBQOOBI-UHFFFAOYSA-N	586.417	6.728	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409396341	XUAORUAFICCWDX-UHFFFAOYSA-N	635.833	7.281	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(N(C)C)cc4c3-c3ccccc3)cc2OC)cc1	409397156	GYDLCZMLKISIAK-UHFFFAOYSA-N	562.626	5.901	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Cl)cc4c3-c3ccccc3)cc2OC)cc1OCC	409397788	OCHABQHYDHYSNQ-UHFFFAOYSA-N	646.527	7.931	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409399718	KXNNLNYHYWYDDC-CPJHJSKFSA-N	594.064	6.022	50	40	KKGB	
COC(=O)[C@@H](C)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409402663	KLVWLBLETFBGHN-GOLCFDFMSA-N	608.695	6.378	50	40	KKGB	
CCOc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1[N+](=O)[O-]	409406363	WIIVLWFFTNLFGS-FDVSRXAVSA-N	581.423	6.099	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)c(I)c1	1529546155	DAPDCQJBFXKEMW-JYALLGCPSA-N	810.452	5.360	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	1529546401	FWADFGCJIOLXOI-XINRNAFCSA-N	795.348	6.438	50	40	KKGB	
CC(/C=N/NC(=O)CSc1nnc(-c2cccc(Br)c2)n1C)=C\c1ccc(C(C)C)cc1	1772129	ALXBPNIHNYVJRL-YEKVFKPWSA-N	512.477	5.666	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1	1805073	QAHPPBGSQZDFAO-JONNVXJTSA-N	518.042	5.894	50	40	KKGB	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)c(OCC)c1)C(C#N)=C(N)O2	1819675	MPEMNENBOFJBQI-NDEPHWFRSA-N	541.051	6.674	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OC)cc(I)c1OCc1ccccc1C	3255714	LUGQCINCUDRKOJ-FYJGNVAPSA-N	596.421	5.910	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Br)cc2)cc1	8386115	AKKYKUIBVYLXPQ-WBSLVUJQSA-N	519.443	5.217	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccc3c4c(cccc24)CC3)cc1	8427235	PXWKBUDBUQZZDJ-CQLRZOMNSA-N	530.672	6.096	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	19947235	ZUNJDQMZHSWGOL-VWLOTQADSA-N	524.086	6.366	50	40	KKGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	28214886	RYPOCKLCIOOYRM-JFLMPSFJSA-N	502.423	5.643	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59856261	IPPTVWINRDMCKH-ZCTHSVRISA-N	532.065	6.116	50	40	KKGB	
O=C1C(c2ccccc2)=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2cccc3cccc1c23	95671362	BAZXHTQUMOXTMM-UHFFFAOYSA-N	531.595	8.082	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)c1	100118481	ISYKKDVFXIIPGX-QCFMCPCVSA-N	576.722	6.562	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(Cl)cc2C)cc1	100122461	MWUCTIGMDVANLM-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc(Br)c3)nnc2-c2ccc(Cl)cc2)cc1	100852017	QFCVAJMFKFXJTO-STBIYBPSSA-N	584.927	6.381	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3c4ccccc4cc4ccccc34)nc3ccccc3c2=O)cc1	100858863	OIUCKRYURGQMRC-APTWKGOFSA-N	528.637	6.243	50	40	KKGB	
COc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1	101665606	CHTPPJIMRFRJNC-OCSSWDANSA-N	581.467	5.307	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2OCC)cc1	102467019	QLRGDIZKMRQBKZ-WEMUVCOSSA-N	539.072	6.920	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccccc1Cl	102719226	FYDBOQRXWXDJOR-MHZLTWQESA-N	613.061	7.074	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(C)cc1	103755338	YNIXSGFHPRHRAW-UUYOSTAYSA-N	552.412	6.350	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(C(=O)OCC)c1C	107794800	BMSBZFIXKNPJJV-CIAFOILYSA-N	626.525	6.479	50	40	KKGB	
Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/NNC(=O)c1ccncc1)C(=O)C(O)=C3C(C)C)/C(=C/NNC(=O)c1ccncc1)C(=O)C(O)=C2C(C)C	150341890	RXHCVUPWXGJPSU-HJTNQMAYSA-N	756.816	5.738	50	40	KKGB	biogenic,in-vitro
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI	150341970	QCMDKROLEDJSMF-UHFFFAOYSA-N	824.047	9.997	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342147	QRDAKDZKPPFHKO-UWTATZPHSA-N	692.016	8.387	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1	150385203	VYBKMEILYLDJHC-FDALDRLYSA-N	690.063	7.978	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2-c2ccccc2)cc1	150410634	UBJQUGGNFIQIHN-VZIFVVPESA-N	730.868	10.877	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(Cl)cc1	163874884	BMQKTLHIEJPGDD-BRJLIKDPSA-N	616.624	5.892	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	209404301	BILPVRDTEKASIO-VXLYETTFSA-N	517.648	7.817	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c(C)c1	216041193	CYSJBPBHPFQVBE-QDTIIGTASA-N	658.705	6.438	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1cccc2ccccc12	408568334	SRPRDOZKLCLZCE-HNSNBQBZSA-N	553.456	7.036	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	408570521	WIOMCOGBIJUMMD-MSXFZWOLSA-N	548.440	5.625	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccccc1F	408570574	WXXGHYKGDAMNJS-MFOYZWKCSA-N	510.338	6.645	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=C(/C#N)c2cccc(Cl)c2)cc1I	408598544	CTJFTOWZVGRWJZ-NSIKDUERSA-N	549.577	6.401	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408643555	PRJWUDJWODYUEW-OAHLLOKOSA-N	865.809	9.231	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408649610	YNNSFYXFLKYNPL-VQHPVUNQSA-N	696.017	5.918	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@H](Br)c2cccc([N+](=O)[O-])c2)c1)c1ccc(Br)cc1	408682941	LTFBJJFGHDUKCW-XNMGPUDCSA-N	652.295	7.154	50	40	KKGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)c(N(C)C)c(Br)c1	408738826	VZZYGKMSHZHTPG-ZLXUYPTFSA-N	607.347	5.203	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)NCc1ccccc1	408748164	ZKLYLVKGZTXINS-GRSHGNNSSA-N	699.124	6.461	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(Br)cc1	408758616	NVOLCBAQSHVQDU-MFOYZWKCSA-N	668.123	6.949	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(I)c1O)C(=O)Nc1cccc(Br)c1	408758784	RDPIGOFBRBNFET-ONNFQVAWSA-N	547.972	5.067	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408761386	JMYXDLPKPVEEMX-PTNGSMBKSA-N	518.334	5.215	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Br	408765777	XXRASIFUYCHKSD-CCVNUDIWSA-N	568.350	6.604	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCc1ccc(C)cc1	408769391	SSUYXSVLVSJVIA-CPDSRJINSA-N	582.360	6.360	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408771417	GTFKPPJWHXBHOZ-AMVVHIIESA-N	569.989	5.030	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1c(Cl)cccc1Cl	408778276	CSTCCUIUUZJGMK-BOPFTXTBSA-N	575.290	6.955	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408784402	QVENUVJGCQHQAD-WQRHYEAKSA-N	581.379	6.565	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1	408786571	SIWUVKHWEIJULU-CHHVJCJISA-N	559.629	5.718	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2I)cc1	408787442	ADYZLZKDLACOJQ-SRZZPIQSSA-N	648.282	6.946	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)cc1	408790689	QVOCFIORSUGTHU-CIAFOILYSA-N	601.282	7.049	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(Cl)cc1	408793917	HAHOPIFWZCNTFD-GIJQJNRQSA-N	593.248	7.040	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(Br)cc1	408796739	PTBYNBZFWXWXNT-UDWIEESQSA-N	570.281	7.043	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408797989	USUYMAVJKCXKCB-LFIBNONCSA-N	500.769	6.210	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2cccc(Br)c2)c1Cl	408811938	NCMFYLYCTPBJEO-OPEKNORGSA-N	525.186	6.033	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	408817949	WZHUOANBIPXIDR-CAQPMQTCSA-N	514.412	7.783	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc(Cl)cc1	408828172	LQXGCYNARWKNBY-YZSQISJMSA-N	539.031	7.361	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408832874	SCWDGEQOASQRRN-GOJREDGKSA-N	591.733	6.570	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Cl)c(C(F)(F)F)c1	408838366	VNOBLHMNCLATAW-VVEOGCPPSA-N	574.408	5.508	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408839377	RIFRDLCPXKJPSS-HUMNLGMNSA-N	558.421	6.628	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccccc1	408845573	QKTTVYSJBGMQEQ-ROPCREHHSA-N	680.490	7.181	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408848263	VIIAUUFNCNDRQW-AABVJFSESA-N	635.946	8.452	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	408863281	LOYAWBPTRDCXMJ-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccccc1C#N	408866181	GCVHQRZYFPWGPL-FOKLQQMPSA-N	531.996	5.430	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408874430	BIQHOYVLHMTUGK-KBKYJPHKSA-N	553.196	6.016	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1Cc1ccccc1Br	408874685	FENDEDYMFRIIRR-WOJGMQOQSA-N	573.228	6.199	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408879402	DFPLLEJDCYZCDJ-XDHOZWIPSA-N	636.895	6.274	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Br	408883618	UEJYXLRUXFTRLU-VGOFMYFVSA-N	521.165	5.539	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1Br	408884431	ZCPZMCFZBZSTIN-XDHOZWIPSA-N	541.829	6.634	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408895971	MIEJYTYHEFRYOT-UDWIEESQSA-N	510.999	5.587	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408901004	ZDTSKNZIOBPZIW-VIZOYTHASA-N	581.637	7.442	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccc(Br)cc1	408925553	SBUKBXBTRDHUSI-LICLKQGHSA-N	668.123	6.949	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)c(OC)c1	408953718	MMJVXOYDLYTISI-PDQWDMBESA-N	774.419	5.218	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cccc(C(F)(F)F)c1	408965590	WEFDXYITDOVNPN-VPUKRXIYSA-N	729.072	7.020	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)ccc21	408970133	BHCYRAVLWFUDPK-ANGPDXOJSA-N	567.517	6.570	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	408971994	NFUXTZGSVPVNOP-QJFLEUTOSA-N	634.560	6.535	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	408974335	XYPQXDAWWVGXJD-NJDSKGESSA-N	727.483	7.687	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(I)cc2)cc1Cl	408988303	HOMREDHJLMFGSP-ZDLGFXPLSA-N	607.673	7.140	50	40	KKGB	
CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409020109	ZIBOJQLOZSRHFP-JGMDMLBRSA-N	536.843	5.967	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cccc(C)c2C)cc1	409025071	LFHBZLRTYAHWPK-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409031962	BTWOTCLHISHZMX-ZCTHSVRISA-N	504.615	6.897	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409036369	RCYSYZAGPOUITA-ALQBTCKLSA-N	515.016	7.322	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)c(Cl)c1	409052064	HZBFIUTULGAXIZ-KVSWJAHQSA-N	561.661	6.388	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409069574	VZVOSQPHIFAFCA-GZTJUZNOSA-N	561.841	5.733	50	40	KKGB	
Cc1cccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(I)c2)c1	409093181	XWZMKBWNAXDFTE-MXAYSNPKSA-N	596.206	5.547	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C)S(=O)(=O)c1ccc(Cl)cc1	409133065	MGAMTPWJMGVSEJ-KCSSXMTESA-N	643.991	6.254	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	409139706	DLGQYEDQRZDPGF-FLANDWEYSA-N	580.422	5.606	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C	409154354	GXVCWDRRBKLISZ-JJKQSNDFSA-N	697.357	6.028	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc5ccccc5c4)c(OCC)c3)cc2c1	409187262	ODGOGPIHEJNGQP-OHUYPAJKSA-N	634.470	7.331	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1ccc(Cl)cc1	409187996	DZXDYMWJNCMFDS-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1	409188927	KQIWVKXGINFFIH-YPXUMCKCSA-N	502.612	7.297	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(Cl)cc1	409191728	LSYXPEAEVRMUOQ-YPXUMCKCSA-N	547.063	7.406	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(C)c1	409252950	FMZFFIONACCROR-LPYMAVHISA-N	532.438	6.246	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br)Nc1ccccc1Cl	409253195	WKBVUXQGSSIGAZ-DLCNMLRHSA-N	660.981	7.751	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(Br)c2)cc1	409263068	LLDQVHJUBVKVBT-WQRHYEAKSA-N	599.279	6.092	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc(C)cc1	409310757	BRISHBIEBUIQAA-UCMJSZAQSA-N	524.617	6.324	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OCC	409312549	MEBWDPMNHXSVLK-ZMGVVAQMSA-N	624.359	7.685	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1OCC	409312646	NDCIFOGXNGPIIQ-DICXZTSXSA-N	585.367	5.785	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Br)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409317967	SHYBNUBVGSPRHO-WOJBJXKFSA-N	535.847	5.172	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)ccc1OCc1ccccc1	409325020	VZPGGNQEDBTKBT-DLCNMLRHSA-N	672.801	8.186	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	409361867	RNYVCMZFDYSQDL-ODLFYWEKSA-N	594.674	7.749	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c1	409366303	UDOBEZUHJZXEBQ-ACXHZZMFSA-N	580.320	7.253	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(F)cc2)c(OC)c1	409372075	FELKMPGXIWQLDZ-IBBHUPRXSA-N	580.410	5.540	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409372458	DQALGXFCBSHUBZ-ODLFYWEKSA-N	531.410	6.033	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386474	QFAFERIUCOQCJM-RPPGKUMJSA-N	528.359	6.054	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(C)cc1	409387980	ZJVOBPJQKVNMNB-UVHMKAGCSA-N	601.422	6.074	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(c1ccccc1)c1ccccc1	409389820	ARKTUPSEZQWEJK-MNBJERMJSA-N	533.853	6.964	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395774	ROYSOUAKHLTECJ-UHFFFAOYSA-N	709.733	9.560	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396949	DHFUWIYXQCEXDO-UHFFFAOYSA-N	679.898	7.093	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409398479	TZHKJESSMRJDAQ-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OC	409398709	FZNAUBVBNKMRLU-FDVSRXAVSA-N	552.425	5.810	50	40	KKGB	
C=CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401992	IVHPUZJVXUYAMI-LQNQUEJISA-N	503.986	6.248	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccc(Cl)cc1Cl	1529548409	FTZPSVGUZIRHRV-VVYBVRPNSA-N	736.472	6.229	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(OCc2cccc(Cl)c2)c(OCC)c1	1529549153	SYGYCLKVSHJBSI-HXYHDSOZSA-N	637.158	5.203	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(F)cc1	1819735	XOOFPNDKMCHHBP-VULFUBBASA-N	510.392	5.078	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1Br	1875945	RUKSTEBLLZJOCP-BRJLIKDPSA-N	559.536	5.997	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2ccc(F)cc2)n1-c1ccccc1	2096880	WFNDGNFSVWMAJA-KQPIQEFLSA-N	523.037	5.611	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2c(Cl)cc(Cl)cc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	3143717	SNXQTGAXTNRWAW-LUOAPIJWSA-N	552.754	5.312	50	40	KKGB	
CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@H]1[C@@H](Cl)[C@@]1(Cl)C(=O)N(c2ccc(Cl)cc2Cl)N=C1C(=O)OCC	4266370	YJACLDRDHRHGRQ-IZJXBPLLSA-N	683.159	5.733	50	40	KKGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1c(-c2ccccc2)nc2n(Cc3ccccc3)c3ccccc3n12	8914787	XPFLJQVZUMZVHJ-UHFFFAOYSA-N	510.557	5.091	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	17201717	ATVUPRSENPSJTL-PZRHDKJJSA-N	512.997	5.186	50	40	KKGB	
COc1cccc(CN2CCCN(Cc3cccc(OC)c3O)C2c2ccc(N(CCCl)CCCl)cc2C)c1O	19325427	JMJQLVZUSVQOIP-UHFFFAOYSA-N	588.576	6.114	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1cccc2ccccc12	20176010	UICCHUIBITUDDT-STBIYBPSSA-N	503.396	6.344	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@H]1c1ccc(Cl)cc1	20347558	FSFZNQPUYRQUGE-HSZRJFAPSA-N	514.434	5.790	50	40	KKGB	
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1	67192580	RDAPWQSMDDNDMK-KTZMUZOWSA-N	503.125	5.998	50	40	KKGB	
COc1ccc(N2C(c3ccccc3)=CS/C2=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1	96022545	MWZHWGRGJOCCFY-PBBVDAKRSA-N	534.645	5.557	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccc(C(F)(F)F)c1	97981208	IDJMZUXZJMZJNK-ZSNJKBEMSA-N	618.052	7.043	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	98045825	VSWQHWWIIKYDNH-YJDIGNJUSA-N	664.811	6.394	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c2cc(C)cc(C)c2)cc1OC	100304223	SIIBDDLUSOZADX-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2c(F)cccc2Cl)cc1	100351270	CFHDVAPHWVRSLV-FDAWAROLSA-N	552.027	5.647	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cccs1	100394201	WXYXZNMWAJTWCW-WKULSOCRSA-N	524.429	6.650	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	100925334	HMQFYYBCGPIYLG-IEQIIXMPSA-N	546.490	5.543	50	40	KKGB	
O=C(CCCCCCCCCCBr)OCCOC(=O)CCCCCCCCCCBr	100933497	WXRQMWGPLXQEEX-UHFFFAOYSA-N	556.420	7.884	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1	101178627	NMRFFLFZUNHNFY-YMGIJWJESA-N	597.332	5.954	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2)cc1	101566125	PUBKJDNWBCZGLM-LJAQVGFWSA-N	556.087	6.720	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2cc(OC)ccc2OC)=C(C)N1	102808744	BDZAMKKYVAVGKL-MUUNZHRXSA-N	574.659	5.402	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	102808981	LMNJZBHBVLZGED-MHZLTWQESA-N	563.510	7.008	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccccc1)=N\NC(=O)c1cc(Cl)ccc1O	104315616	WIZKOACVGYZSPQ-ZBIDQWECSA-N	513.989	5.863	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	105508895	FVPIYSWYLBQYHY-KKMKTNMSSA-N	567.223	6.406	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=C1CCCCCCCCCCC1	105530144	ZSVJQSUCAYDQLA-UHFFFAOYSA-N	562.574	6.417	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	150494835	QPMGSDCFTAIUJE-FDALDRLYSA-N	661.611	7.569	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C[C@H](Cl)[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F	200199654	MKZGQDFQXQLWNU-GHAADPNPSA-N	564.998	7.017	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	408536721	AQEHPGUNMFMERB-UQQQWYQISA-N	573.476	8.096	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2Cl)ccc1OCc1ccccc1	408536970	BSCYHUXBNJKCNG-WJUIDDSLSA-N	723.682	10.099	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccc(Br)cc1	408552498	IZEHSRUQKLBIML-YBFXNURJSA-N	641.385	7.547	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cccc(C#N)c1	408569037	YGLAPEMGQWANOJ-FMCGGJTJSA-N	638.246	7.564	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	408581064	UACMNRKENRNGHQ-WOJGMQOQSA-N	542.227	6.302	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408602538	DQCWZUAQFYWBDK-QGZVFWFLSA-N	514.409	5.386	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N2C(=N1)SC(C#N)=C2N	408605593	MIVXQFNNXYDHBG-HXUWFJFHSA-N	513.963	5.236	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408671411	KYEPZKRZKIWPGU-WTGUMLROSA-N	562.302	5.490	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	408684908	PVHLNOPQSFYQLO-AHKZPQOWSA-N	652.295	7.154	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1	408718335	SNMXDCIVJWSQLV-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408725014	FVRBLJCDKKYNAT-NDENLUEZSA-N	572.830	6.640	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1I	408739692	DOJCBBDYWFYQFE-WYMPLXKRSA-N	507.759	5.125	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1	408744825	NIPKTTAEQJQHKS-ZDLGFXPLSA-N	512.349	6.425	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc2ccccc2c1	408745220	QIWRTQBKYOSXMS-OYKKKHCWSA-N	527.418	7.044	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408756343	UQHLJHMYZDSVJX-ROPCREHHSA-N	620.263	7.655	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408760355	XDJPDNDEPKYAOB-DPNNOFEESA-N	648.535	5.542	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408766860	TVWGKDJXONFNCY-MHWRWJLKSA-N	643.286	6.228	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(I)c1OCc1ccccc1	408766993	YCSMLLFLAXPBEE-WQRHYEAKSA-N	636.227	6.029	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408780191	VBMCOJDQRXEFDS-IZYHBKOJSA-N	610.057	7.319	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc2ccccc12	408780864	MFISHXFTHUQOKL-ITYLOYPMSA-N	582.498	6.446	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408785148	YCVMHWJCGUMBRV-ZHZULCJRSA-N	541.495	6.388	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(C(=O)O)cc1	408789629	QNLJGNFRFUXEIE-VCHYOVAHSA-N	541.785	5.934	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3OC)c2C)sc2c1CCCC2	408798421	IGBWYEIXYWMPRY-CPNJWEJPSA-N	538.069	6.419	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc2ccccc2c1	408798582	VVCDPXXTYDZVOX-CVKSISIWSA-N	555.472	7.743	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408842417	JYHSPDSKUPSZPO-NSMFXTPDSA-N	568.427	6.084	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408864455	VYZMXDISPYYTOH-AIMOZCANSA-N	759.428	8.016	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1)c1ccccc1	408864499	WIGFEHZUDSEGIP-PPOKSSTKSA-N	563.679	6.149	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	408865318	CZJYKRGODFDUGV-HWLOXFRGSA-N	648.741	5.872	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccc(Cl)cc2C)cc1	408868838	NNEANAKPVZPUMQ-KBVAKVRCSA-N	586.110	5.023	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	408882713	NPXWOAQHUYTYSG-OCSSWDANSA-N	558.100	5.357	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408887964	VMBSXEKQTRPCHZ-OQLLNIDSSA-N	632.221	6.683	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccccc1Cl	408890784	ZBQZHKVMCOOMRY-LICLKQGHSA-N	580.693	7.933	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1C	408897775	TYCMHXBNLLJEQI-AWNIVKPZSA-N	509.154	5.373	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1I	408899172	NUGGEFQGTALLGJ-FSJBWODESA-N	570.168	5.212	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408899894	RNQZTWSXUHETTH-FABQOPTDSA-N	640.575	7.328	50	40	KKGB	
COc1cccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1OCc1cccc(C(=O)O)c1	408904659	MTNBVXLFGZJUHY-ZMFRSBBQSA-N	512.360	5.199	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc(Br)c2)cc1	408926220	WFHGOGGQHKDQKA-JVWAILMASA-N	523.408	5.442	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(C)c2)c(I)c1	408944114	IJQFVSZHQGFINH-NDEPHWFRSA-N	777.479	5.826	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1	408969722	SKRJGOZODKXVHR-OJIMSSLDSA-N	746.429	6.831	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC(C)C	408970840	LCOGCHINNDXRLB-NHSFSFNLSA-N	664.368	5.842	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccc(Br)cc1	408971988	NCNQMYIRDDOISO-AASFFQPYSA-N	596.522	5.405	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cn(Cc3cccc(C)c3)c3ccccc23)c2ccccc2)cc1	408982531	YKWULLKYFCBQSE-OXMOZHKQSA-N	564.711	5.866	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccco2)cc1	409017967	GRNJAZPQHWRAFT-LSZWXSAPSA-N	599.599	6.134	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc(F)c2)c(I)c1)c1cc2cc(Cl)ccc2o1	409022094	JHLCBTRCQLWSDN-PPDIBHTLSA-N	548.739	6.173	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)COc3cccc4cccnc34)cc2Br)c1	409022509	IXXJJSPDIYZGFF-CPDSRJINSA-N	583.280	6.176	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409028932	UHCLFNVSEGSTEB-LUOAPIJWSA-N	562.306	5.624	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1	409047151	NBHAAEQAKKZGEV-CXUHLZMHSA-N	520.185	7.020	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1Cl	409053178	MGDQGQPFZKUKFR-KBKYJPHKSA-N	581.648	6.425	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	409067375	QNFOLGAJTGEWQI-HAVVHWLPSA-N	532.618	5.444	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409087052	FWMVWEWCKIEIBR-RIYZIHGNSA-N	573.743	6.265	50	40	KKGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409112332	LHUQQWXSQAANGY-FDAWAROLSA-N	552.027	5.613	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4Br)c3C)cc2)cc1	409142250	XEBRHPGDELWWPS-UXHLAJHPSA-N	579.520	5.754	50	40	KKGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	409153450	CZFQDZNWPCGNMK-WKULSOCRSA-N	563.279	6.594	50	40	KKGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	409155492	ITZOTPSUYQIGPL-LQKURTRISA-N	528.834	5.941	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	409180137	PMVPJLNGLCEIEX-RPPGKUMJSA-N	504.326	5.262	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	409191578	ZMUJYISZIHOOFS-OPEKNORGSA-N	558.363	5.510	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1	409218314	HXNVWTSAMYZAIP-KYHGBAKBSA-N	586.988	5.801	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409219069	MWEXOFISLMNKRC-UHFFFAOYSA-N	735.172	7.662	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409224171	JIZIAAWEHIXDIE-WOJGMQOQSA-N	510.377	5.874	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OC(C)C	409236457	GPHAJDAKVNBRRN-MOSHPQCFSA-N	518.395	5.133	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1	409241445	XOMRTNVAZNOGAU-IWEBCOIVSA-N	530.249	7.119	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)cc1C	409248241	CXNGYOJIVGFJMQ-RODHXAHZSA-N	733.486	8.477	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)cc(Br)c4OCC(=O)Nc4cc(C)ccc4C)cc3)cs2)cc1	409251529	QZVPQAQGSHXLML-ADJDCTSUSA-N	747.513	8.785	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409252514	SWORZUIEGDMHIQ-UDWIEESQSA-N	582.882	6.681	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccc(Cl)cc1	409256457	ORNVESNTDNZNCB-KVAAJVFYSA-N	616.530	7.642	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409270728	HQLONAGSYAAGKH-AEVGBRMKSA-N	766.061	8.300	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC(=O)C[C@@H]1c1cccc(Br)c1	409313669	CPWZNGGXMXGOAK-MRXNPFEDSA-N	510.335	5.178	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1OC	409322960	LZVZEJNTYKSTSG-MUXKCCDJSA-N	569.850	5.752	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1OC	409334879	NKYVKSSZCSKHHV-NUJZUDFISA-N	610.730	7.005	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409376768	BAPWCWHBFFVCDH-UDWIEESQSA-N	507.949	5.119	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(OC)c(OCc4ccc(Br)cc4)cc3Br)[nH]c2c1	409391579	JWSYRXMKFDCYGI-MFOYZWKCSA-N	569.253	6.748	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)cc1	409395335	MJOIYRIIBSBRKC-UHFFFAOYSA-N	744.665	9.067	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(Cl)ccc3OC)c(-c3ccccc3Cl)c2c1	409395337	MKBMZYOAFSTQGK-UHFFFAOYSA-N	746.239	8.667	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)o2)cc1	409402604	KCWQPFIGQDYWMK-QMRORBIVSA-N	677.939	7.933	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(Oc4ccc([N+](=O)[O-])cn4)c(Br)c3)o2)cc1	409404241	PNBNNWJAONTYDS-PMNVOCJDSA-N	664.900	7.541	50	40	KKGB	
O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	885164227	WLHIBDZKAWZAFD-UHFFFAOYSA-N	566.179	6.553	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OCC)c1	1529549176	UJXVHBCCNDLWLO-SNLSLPLBSA-N	637.158	5.203	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)cc1Cl	2344385	NSTROAFVLGCRHE-OWJYGESUSA-N	542.875	7.020	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	2360855	ODFAAJXDCJUWAB-ODCIPOBUSA-N	514.441	5.288	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1)c1cncc(Br)c1	3115190	ULYDHLMOBYZKFP-KIBLKLHPSA-N	582.046	5.352	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1	6089729	POVXLGKOLYYAMA-MXINBSQPSA-N	576.653	5.292	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	6445631	WBPSLDSHGDXHBE-HQFBCKHPSA-N	525.970	6.240	50	40	KKGB	
CCOC(=O)c1c(NC(C)=O)sc(SSc2sc(NC(C)=O)c(C(=O)OCC)c2C)c1C	8815722	SKDLGNHNFVEYTN-UHFFFAOYSA-N	516.688	5.496	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1	9215875	MZGKOOYKDNBCKH-FNBPXTNNSA-N	512.393	6.197	50	40	KKGB	
C=CCCCCCCCC/C=N\NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C\CCCCCCCCC=C	38799095	HVFCKNMMWXWNFZ-SBGZWOQUSA-N	506.801	7.314	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(F)cc1	59534962	SIKXPJKACWQIQT-KGENOOAVSA-N	501.355	6.866	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	59646439	UYSRASWDLLMJKW-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1cccc(Cl)c1	97958877	WCTQCLKWGYSUPF-NHDPSOOVSA-N	539.857	7.243	50	40	KKGB	
C/C(=N/NC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1	97965862	PTSDBOYJYXSMIK-YAMYSANFSA-N	599.534	6.599	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(I)cc2)N1	97999692	XXNPJVTWQDXRBF-SANMLTNESA-N	640.934	6.651	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Cl)ccc1OCc1ccc(I)cc1	100063204	SWXFIPKMJAWLHY-LGJNPRDNSA-N	583.651	5.979	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343878	UJGNLHATIRTEDG-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc4ccccc34)nnc2-c2ccc(Cl)cc2)cc1	100852020	WYXQGUQFFKYMCR-UZWMFBFFSA-N	556.091	6.772	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\C(Br)=C\c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1	100852531	DEKUVERXWRDRCO-NBLQHWNFSA-N	593.572	6.265	50	40	KKGB	
COc1cc(/C=C2/CCCC3=C2OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	102786363	DJQXVTIJYFNVGK-YQACCMODSA-N	520.582	5.067	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341801	DMVTXXYKJORHEJ-SFHVURJKSA-N	898.458	14.332	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	150552578	JPHLFMXQOLQZAW-FJEPWZHXSA-N	637.210	7.543	50	40	KKGB	
O=P(Cl)(Cl)N[P@@]1(Cl)=NP(Cl)(Cl)=N[P@@](Cl)(NP(=O)(Cl)Cl)=N1	263621556	YOWYBYNFPCUWSG-BGYRXZFFSA-N	542.543	9.144	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(OCc3ccccc3)c(OC)c2)cc1	408537019	BWOIQMBUAGCHNJ-XHPQRKPJSA-N	520.585	6.407	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(Br)c2)ccc1OCc1ccccc1	408540984	WZBQWYFFFRUFFC-YTJQMYRNSA-N	774.506	9.120	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1cccc(F)c1	408542879	OJJMLUVMWWRERZ-GRSHGNNSSA-N	539.357	5.810	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCC(=O)Nc1ccccc1	408551496	DDAKEHQVVOAIRY-WOJGMQOQSA-N	591.487	5.833	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408580147	ALTCHVRXFBKQIB-DJKKODMXSA-N	563.275	7.815	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408638344	CGDSIRWJHUYZSB-RCZSKKKRSA-N	551.829	5.711	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408648179	JSHOKSXZVMLICP-XAYWJXQYSA-N	818.129	7.537	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408676063	DILFCUYZQGSDNB-LQKURTRISA-N	512.835	6.046	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2ccccc2Br)cc1)CCCC3	408731977	NTAIEJOPBNBFKQ-MZJWZYIUSA-N	521.440	5.161	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1cccc(C)c1	408743099	DOCJJCJOGWRDFP-MTJSOVHGSA-N	538.385	6.041	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408744639	MIWDRNCZAWHDDJ-ODLFYWEKSA-N	539.329	5.633	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2cccc(Br)c2)cc1	408772513	MJISNKASEOJKBH-ZCTHSVRISA-N	606.498	5.322	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccc(C)cc1	408780305	AWKUDVZFPNGKDI-HMAPJEAMSA-N	534.454	6.347	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1c(Cl)cccc1Cl	408780325	XKENWPLUNCQEGA-ZDLGFXPLSA-N	607.275	7.348	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408790124	TZLXDMSTZZPAAE-LPYMAVHISA-N	596.421	6.075	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408795409	MGMAJBGLOSBUOO-GIDUJCDVSA-N	526.634	8.078	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408825169	AMDLTEMDFCTCTQ-LPYMAVHISA-N	598.313	9.004	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408835556	NUYJZHSMWDEHQE-LPYMAVHISA-N	642.764	9.113	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408836747	VAZFRXLNMXYMOR-OEAKJJBVSA-N	574.420	7.605	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)cc(I)c4O)cc3)cs2)cc1	408838106	CDEBFYCTXXJALG-KKMKTNMSSA-N	680.309	6.541	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408845433	MWKPQWCGGZGVBD-BIKKEBSBSA-N	594.542	8.831	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1cccc2ccccc12	408846815	ZDBCBVSRMCPSKM-IZYHBKOJSA-N	604.654	7.729	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc(Cl)c1OCc1ccc(Cl)cc1	408864962	AHDKCFWTANVXLV-QFDQHJFZSA-N	642.348	7.092	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(I)cc1	408881732	OHEBJTLHAKGDKR-HIWRWHBISA-N	666.463	6.791	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	408882966	PSVNDDGLOIEFBL-KUVPTRFSSA-N	635.474	5.253	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408894955	LFJLEUXKJCHGAR-XNTDXEJSSA-N	586.298	5.454	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1	408921923	LOAOFAAYBKOKRC-VUTHCHCSSA-N	512.075	5.758	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1	408960351	FEATWDXWDBSLEV-KKMKTNMSSA-N	558.772	6.108	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12	408969658	RQILZSUOGBYRMX-HGVWJQEQSA-N	564.469	5.800	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1Cl	408982302	GKENNLSAADNION-ZDLGFXPLSA-N	501.797	7.089	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(Cl)cc1	408985976	LHBUBOTVAAWBOR-VCHYOVAHSA-N	593.248	7.040	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)Cc2ccc(Br)cc2)cc1	409014300	WZWBKVMPDRZHBW-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409031203	JHWMOIZCUHEIGG-MWLSYYOVSA-N	563.249	6.203	50	40	KKGB	
CC(C)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	409044408	CQJOHASSNCOMFQ-VGOFMYFVSA-N	512.629	6.445	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)c1ccccc1	409045678	HAARQXWZVUEDME-VCHYOVAHSA-N	548.072	7.617	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1Cl	409050886	CEOSANHFWJTGAS-LUOAPIJWSA-N	665.096	6.854	50	40	KKGB	
N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1	409076762	BSYFFONCUUZLFP-XNTDXEJSSA-N	521.373	6.970	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1nc2ccccc2o1	409077438	DWFQZZQYOVIMAO-NTUHNPAUSA-N	520.250	7.918	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(F)cc1	409080387	NMPQRXSTOBSDTP-NTUHNPAUSA-N	517.256	6.287	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	409131458	XYSLKUXMBRAQIR-HXUWFJFHSA-N	642.206	5.429	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409148404	YYVHPZVWAXOUMC-ALQBTCKLSA-N	634.755	5.091	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409215900	BWLKVLYOEBONDX-VFLNYLIXSA-N	594.890	5.900	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OC)c3)c2)cc1	409217699	ABTDRUAEEHRKIK-KCQYRVLFSA-N	594.580	5.247	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1	409218199	DJAWNEYPQRTOGW-UDWIEESQSA-N	578.419	5.116	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1ccccc1	409228134	UOAMJMQBJHTKES-RWTUPJDWSA-N	511.419	6.966	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409264398	FOADOQFHHHCMOL-YBFXNURJSA-N	507.949	5.668	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409272263	PKPRFVYZKDNQCT-QDYAICPJSA-N	516.812	5.729	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409300680	ABBBVOXKLBNDNA-LJUMEUDFSA-N	585.465	6.113	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1OCC	409322888	LWPNCASOAAWAKO-MNDYBZJGSA-N	578.290	7.062	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)ccc1OC	409324058	RTCFUAAFYLFMRT-QDTIIGTASA-N	552.252	6.506	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409331080	CKZCLGLJUFAAKS-HQDYHJHZSA-N	588.060	6.026	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409374275	ZZKCNIHXGDGPTL-ODLFYWEKSA-N	605.226	7.004	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409384497	CULJJQHIQCQNNK-RPPGKUMJSA-N	585.392	5.832	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394530	BRRHUHRNCBAFBW-UHFFFAOYSA-N	522.492	5.865	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409398741	VMKMKYSMLZLKIJ-UHFFFAOYSA-N	677.926	7.783	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)o2)cc1	409401149	GPJJVUGJQVQJCH-QMRORBIVSA-N	722.390	8.042	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1O[C@H](C)CC	409401170	GRKXJGUVFUASBK-QUFIRZMCSA-N	608.533	7.369	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409401830	IGQUYTIDAHTFHQ-OFSKBFHASA-N	604.616	5.277	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409402267	JMZAFKYKDYNFFH-GZOMZLSJSA-N	659.114	7.239	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc2c(c1)OCO2	409403756	NRWKGMZSLAZQCF-RODHXAHZSA-N	719.532	6.951	50	40	KKGB	
COC(=O)[C@H](C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409403944	ORLHWKDGOUJAHY-XVSZARDYSA-N	565.626	6.124	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3OC(=O)c3ccccc3)o2)cc1	409410658	ZIBVDQIJJBOIQO-MWBNBJEGSA-N	691.376	7.774	50	40	KKGB	
COc1cc(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccc(Cl)cc1	1531386442	XIRWARZQENTXEX-AEVGBRMKSA-N	661.542	7.363	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	2294384	DLWNVUXCPWAYOY-LGJNPRDNSA-N	509.927	5.455	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(Br)c1	2670138	ODGOTKQKBYLFMA-WOJGMQOQSA-N	525.424	6.217	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	3092484	PJENWJJTIJSSSJ-UVHMKAGCSA-N	502.195	6.862	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1	3115373	JXSURKMGZTUROZ-KCSSXMTESA-N	565.508	6.911	50	40	KKGB	
Cc1c(C(=O)NNC(=S)Nc2ccc(Cl)cc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12	6182711	CJUTUOQEAYKIDO-UHFFFAOYSA-N	527.018	6.637	50	40	KKGB	
CC(C)(C)c1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc(C(C)(C)C)c1O	8410868	NJOCHMGUTKKCKH-FQEVSTJZSA-N	521.459	6.358	50	40	KKGB	
N#CC(C#N)=C(c1ccc(Br)cc1)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N	8427353	AQMYXITVXSITHZ-UHFFFAOYSA-N	533.454	7.824	50	40	KKGB	
CCOc1ccc(/C=N/N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2nc3ccc(F)cc3s2)cc1	9148782	ZEQDDLSLQITHMQ-DHRITJCHSA-N	509.475	5.331	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(Br)c(Br)c1O	9311324	CWZUVBFSMZLSRD-OVCLIPMQSA-N	502.162	5.625	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCc1ccco1	16713518	MHGANUITPCINQO-JJIBRWJFSA-N	518.548	6.074	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCCOc1ccc(NC(C)=O)cc1	20235137	HEXKDIVACIEGNM-LTGZKZEYSA-N	503.530	5.186	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)ccc1OCc1ccccc1Cl	97952443	VECZLRJILRTSFI-HHHXNRCGSA-N	541.007	5.059	50	40	KKGB	
COc1ccc2cc(/C(C)=N\Nc3cccc(C(=O)N/N=C(\C)c4ccc5cc(OC)ccc5c4)c3)ccc2c1	97980825	RKQAVWBRPUQXTM-BSEYNIQASA-N	530.628	7.000	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC(C)=C1C(=O)OC	98045717	KUJHAJDCSDEQER-GDLZYMKVSA-N	539.657	6.052	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5Cl)cc4)CC(=O)N3C2)cc1Cl	98048445	XXSCLRYVORHMKF-HSZRJFAPSA-N	536.484	7.100	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292969	BYKKBZDYBBIPOC-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	100475495	ZCZVZZJZVKJVHK-UKTHLTGXSA-N	517.133	5.925	50	40	KKGB	
COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)NNC(=O)c2cccs2)cc1	103135538	DTCSGPTWUPPMPT-OBKVJGTNSA-N	541.629	5.046	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	103901419	KQGKBLVNVWQJFX-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\CCCC/N=C\c2ccc(N(CCCl)CCCl)cc2)cc1	104057247	XVDFNYAOWFVBEG-RYJWMXFHSA-N	544.398	6.573	50	40	KKGB	
O=C(CC(=O)Nc1ccccc1)NN[C@@H](Sc1ccccc1)c1cc(/N=N\c2ccc(Br)cc2)ccc1O	104303902	BLPOTYOCUHPVBJ-HOLOZKQJSA-N	590.503	7.011	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N\NC(=O)c5ccncc5)CC[C@@]43C)[C@@H]1CC/C2=N/NC(=O)c1ccncc1	118918538	LTANJFVUAIWDNA-QPAJFJDVSA-N	526.685	5.391	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](OC(C)=O)[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)C[C@H](Br)C(=O)c2ccccc2)C1	118925365	GYYWEVBPOIFQGP-WKWGIPOISA-N	615.649	7.791	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CI)CC[C@]4(C)[C@H]3CC[C@@]21C	118931429	YYROTNSLTVSUFV-OHPSOFBHSA-N	554.597	8.375	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	136332883	OTYYNUFSOKMWBT-SSEXGKCCSA-N	570.114	7.028	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1)S(=O)(=O)c1ccccc1	150385329	DLVUWZQAEPCUFM-FDALDRLYSA-N	690.063	7.978	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1ccc(Cl)cc1	163908829	HSCSTYFMDCCMSW-KVAAJVFYSA-N	665.915	6.541	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408539170	UNHAGGKTBNREAW-CEUNXORHSA-N	562.666	7.496	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408544032	UJGIBHJHSARIAR-IUXPMGMMSA-N	546.204	6.579	50	40	KKGB	
Cc1c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408569860	QQOMDAVBJZOAJG-MUFRIFMGSA-N	546.674	5.914	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccccc1Cl	408590827	QQUYEXKAWOWMSL-BRJLIKDPSA-N	616.624	5.892	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1	408604408	INUUAMGZOWZSQT-GOSISDBHSA-N	514.409	5.467	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)CC2=O)cc1	408611808	WRWVRRDJOBQBGG-KRWDZBQOSA-N	544.435	5.476	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408652104	OJOMYZZJJXWZES-PPTJPPEBSA-N	643.159	5.320	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)O[C@@H](C(=O)c3ccccc3)[C@@H](Br)c3cccc([N+](=O)[O-])c3)c2)c1	408671782	LEJFTVJDDDNHQZ-XTEPFMGCSA-N	587.426	6.700	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1ccc(Cl)cc1Cl	408682156	JZPDZEYZILJOII-XNMGPUDCSA-N	597.292	7.790	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(Br)c(Cl)c1	408689325	RXHNGDWDLNSUHT-QXGSTGNESA-N	588.669	5.012	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2ccccc2)c1	408725133	CWZDTLVONWEFKQ-WEMUVCOSSA-N	540.645	5.059	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1	408745743	OSHGPHBJMYQQPB-GRSHGNNSSA-N	661.237	5.901	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408745890	AQJWLEFWXKPYMO-CHHVJCJISA-N	615.536	8.296	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1[N+](=O)[O-]	408753604	JSJFIHCELKIVRV-JFLMPSFJSA-N	504.340	5.853	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408756453	RZGRKMPFIIMUIZ-DEDYPNTBSA-N	672.401	7.964	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)cc2Br)cc1	408764921	NTWQQKGSNUPQLR-VFLNYLIXSA-N	634.268	5.999	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(I)cc1	408784893	CZYLWQSWJGNADY-LQKURTRISA-N	601.388	5.046	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(I)cc1	408786312	PFRZIEYXRXRLAF-BKUYFWCQSA-N	538.385	6.041	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccccc1	408790067	MZWAFCWEHJVACV-PCLIKHOPSA-N	569.455	7.161	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc(F)c1	408790373	PMJVCFIDIIEWAB-RQZCQDPDSA-N	526.318	5.630	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(C(=O)O)cc1	408794239	ROOLWNYVOCVRDU-DJKKODMXSA-N	602.812	6.085	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1cccc(F)c1	408796578	PJFFFKAFYYJOKC-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1F	408808909	HAGCELIDIASXQZ-NDENLUEZSA-N	580.251	7.629	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408811780	LWZMBMNOIDUYSN-CFRMEGHHSA-N	561.863	7.067	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)cc1	408816103	KKQLFQKTKMUDMP-CLCOLTQESA-N	564.711	7.231	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408828838	MIQBKEVEQHBZOD-HZHRSRAPSA-N	574.420	7.605	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OCc2ccc(C)c(C)c2)c1	408835149	WJQVYLHPVDPFJD-CVKSISIWSA-N	587.503	8.323	50	40	KKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408835725	XVKMNKZFUPNIAM-PTGBLXJZSA-N	539.429	7.292	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408839418	RWBGHVMVTVZTOA-PNQUVVCRSA-N	589.888	6.830	50	40	KKGB	
N#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408840527	CFEPQVWEAIDDKS-VVEOGCPPSA-N	739.764	7.083	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12	408841079	FKZNELUOQLUKAW-ZHSUKTGHSA-N	551.569	6.740	50	40	KKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c3ccccc32)cc1	408842885	LQAGPZLRCUDQNZ-MWBNBJEGSA-N	576.125	8.282	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccccc1Cl	408845135	OUYNHVXUGWDYAU-KULFSUQXSA-N	696.454	9.365	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408848327	VVJIIAMKVDLOQJ-WCMJOSRZSA-N	658.949	7.539	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408848530	XCQXVLNGLPEJKQ-JJKQSNDFSA-N	762.333	7.387	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1	408849635	ZQPGNVIPIVIHIW-NSMFXTPDSA-N	568.427	6.084	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(=O)(=O)c1ccccc1	408860939	IXMPRPOSDZGGOX-MWBNBJEGSA-N	721.457	7.088	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Oc2ccccc2)cc1	408862861	ITTYNFXBBCIXFP-MUFRIFMGSA-N	558.443	5.962	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408863672	PYSVUKZDJOFHCE-KVAAJVFYSA-N	691.431	7.074	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408882668	PZFCLJJVDAXRMO-LZYBPNLTSA-N	685.643	6.582	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	408882975	PSVNDDGLOIEFBL-YWFOEXFCSA-N	635.474	5.253	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408883123	RMHTZNUDWJSMRW-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OCc1ccccc1Cl	408890474	UISRMYSVTUACFX-VCHYOVAHSA-N	684.699	7.073	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1cccc(F)c1	408904112	DZMJKJWNGSHZSF-QDTIIGTASA-N	556.344	5.984	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408921840	CKJZALYJRLIRDB-GZTJUZNOSA-N	593.967	5.639	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)c(OC)c1	408957086	SFLHQBRXWOUHAF-VVYBVRPNSA-N	659.498	5.440	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCc1ccc(I)cc1	408958025	XEGTWIXFPPVFKH-TXFJQYODSA-N	738.579	5.327	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)c(F)c1	408965135	GJVWQRWZSXBKFY-XAZZYMPDSA-N	536.788	6.609	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1	408972664	QJMVPJNTUVEZIH-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1cccc(C)c1	408979702	OCWFSELOAKGIHX-PGHBFPSBSA-N	571.699	5.451	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1Cl	408982109	FUSMAAZGLXPIIC-IUXPMGMMSA-N	550.667	7.842	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408985673	XMIQIKKMHDWMOU-LSCVHKIXSA-N	550.269	8.132	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1	408995716	DIUXBTREATVPPB-UXHLAJHPSA-N	522.517	5.139	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409034488	HGORXGUSAYRJNS-MZFJOGFUSA-N	583.429	6.849	50	40	KKGB	
C=CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409037801	NSXIGDIFVOERGU-MUFRIFMGSA-N	565.265	6.756	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1cccc(F)c1	409124569	BQEDXLXNDNOWFT-SANMLTNESA-N	554.062	5.839	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409136137	SREIMLZKUZFCFU-RUZDIDTESA-N	645.392	6.182	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	409144258	NRNMJFZGLBLAKE-DPNNOFEESA-N	612.535	6.478	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C	409158105	XJDQSAUOHDPWGE-KLPHOBTLSA-N	683.330	5.638	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C	409169879	RODUTSFCNHADMM-KNBZMSCYSA-N	642.721	5.833	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(Br)c(C)c3)c(OCC)c2)cc1	409172873	GHCFYVLAJNYBBR-ATZGPIRCSA-N	704.416	6.204	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409222464	CXOGHJGBXHIOLN-XDHOZWIPSA-N	615.855	6.215	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409224447	LNFUIACSOVAVSQ-UDWIEESQSA-N	524.404	5.633	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(C)=O	409224822	MWSFYUSDSHNXFJ-NVJOKUIPSA-N	535.767	5.564	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccco2)c1	409227156	SPFWLHUYKAKLDR-RXPFTATGSA-N	637.284	6.440	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5cccc(C)c5C)c(Br)c4)cc3)cs2)cc1	409259008	YTIYXNVEZRMDGQ-VHFSBPNMSA-N	668.617	8.023	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)c1	409267786	WIMHLVLBKXMLHM-ODQASSKESA-N	753.904	8.822	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409270206	DDGKPDQCQNQSOU-CIAFOILYSA-N	505.958	6.345	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)c(OCC(=O)Nc5ccc(C)cc5C)c(Br)c4)cc3)cs2)cc1	409273603	ZKERBGCUVDLQGD-ADJDCTSUSA-N	747.513	8.785	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1OC	409323004	YZXNDGAQRANUEL-MUXKCCDJSA-N	578.378	5.189	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	409324866	VYIJATGSUMIBLO-OHUYPAJKSA-N	558.034	6.017	50	40	KKGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)=C2C#N)cc1	409324915	WINYNWIKZGWZKT-HNNXBMFYSA-N	540.361	5.187	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1	409364315	OZFQYDKRHRBFPO-MNBJERMJSA-N	578.450	6.287	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1OC	409364716	OWOASAFIEHMHCV-ACXHZZMFSA-N	706.318	6.338	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1	409372762	JLOSVQQOJYVULU-AMVVHIIESA-N	541.804	6.746	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(C)n(-c2ccc(I)cc2)c1C	409373571	QRVRTDSAESOVMM-DICXZTSXSA-N	523.374	5.624	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccccc1C#N	409374418	PBKGBZPGRAHLDK-NHDPSOOVSA-N	513.395	6.547	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409375287	ILPLTWLHBMIHRO-UUYOSTAYSA-N	579.292	7.039	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br	409377856	LOTAEULZESDOPI-UYRXBGFRSA-N	520.383	5.329	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1	409395688	QQSXWZKGPCUUBZ-UHFFFAOYSA-N	728.768	7.847	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)cc(OC)c1OC	409396044	VRCCQKXMHASCSU-UHFFFAOYSA-N	754.375	7.211	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396366	NZCFFBBFCFMXNG-UHFFFAOYSA-N	601.581	7.244	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397665	MMDKSVUKSMQBRH-UHFFFAOYSA-N	586.417	6.728	50	40	KKGB	
C=C(C)[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@@H]1SSC(C)(C)C	5553664	JWNOBNLNGXPONA-WUNLWTINSA-N	604.794	6.176	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	8384674	ROTJGNCJTCRXKO-DPNNOFEESA-N	609.079	5.227	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)[C@@H](Br)[C@@]1(C)CC(C)(C)C[C@]2(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1	8385090	GNNDJWJSGUVPLJ-YNJKOYDBSA-N	549.418	6.078	50	40	KKGB	
Cc1c(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c2ccccc2n1Cc1ccccc1	8398739	BMAJEVFWGDPFGZ-FYYUUEJDSA-N	518.642	5.981	50	40	KKGB	
CCCC(CCC)=NNC(=O)[C@H](C)Sc1nnc(S[C@@H](C)C(=O)NN=C(CCC)CCC)s1	9034300	FUHGANDSUZKODF-HOTGVXAUSA-N	514.787	5.644	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(I)cc1	10476086	JGTOGPVAPIAXOE-JVWAILMASA-N	506.343	5.787	50	40	KKGB	
CCn1c(SCC(=O)N/N=C(\C)c2cccc(Br)c2)nnc1-c1ccc(C(C)(C)C)cc1	16712182	FWVUHAMNEQTKDN-WGOQTCKBSA-N	514.493	5.658	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3c(Cl)cccc3Cl)c(OCC)c2)cc1	59297085	NWKGENUXGTZVJX-RGEXLXHISA-N	511.405	6.915	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	59500473	BIONRPAGHNNTSF-ZMFRSBBQSA-N	502.310	5.283	50	40	KKGB	
O=P(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccc(Br)cc1	97983076	QVKXFHZXOLIUKV-UHFFFAOYSA-N	514.979	5.614	50	40	KKGB	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3ccc(-c4ccccc4Cl)o3)C3=C2CC(C)(C)CC3=O)s1	98007235	SNARAFXYKMAPHJ-JOCHJYFZSA-N	552.125	6.893	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	98048909	RJRZNTFXSTXHBA-DEOSSOPVSA-N	572.996	6.658	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc3ccccc23)c(OC)c1	100135470	KXWXUSMOKBPSGL-XSFVSMFZSA-N	523.501	5.530	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1C#N	100367044	SIHBZZCRCIAENJ-NVJOKUIPSA-N	584.452	5.068	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Cl	100400048	OXZRCXKNTQHVIB-BVMLUPFRSA-N	619.914	5.720	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1C#N	100544501	AICKZEOWXLYLKN-OXUBWTJQSA-N	552.212	5.267	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)nnc2-c2ccccc2)cc1	100851951	XEJPFJYBGZZJAX-HWIUFGAZSA-N	563.683	6.154	50	40	KKGB	
CCSc1nc(-c2ccc(C)cc2)[nH]c(=O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	101022441	SBXUQRQWUWLNAI-UHFFFAOYSA-O	507.619	5.477	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3nc4ccccc4s3)=C(C#N)[C@H]2c2ccco2)cc1	102808387	SAXNMDAFEHYEHP-SANMLTNESA-N	571.684	5.995	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccc(Cl)cc1	102934466	AMQMHEXLSOXWOY-RQZCQDPDSA-N	572.799	6.240	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3N[C@H]2c2ccc(F)cc2)[C@H]1Cl	102975235	CSMRJTCQLDHWLF-OWBSIYFLSA-N	523.844	8.079	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(I)cc1	103888871	XPDFDOIEXHESOJ-LFIBNONCSA-N	536.200	6.551	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103889698	ZJJCIWYIWGAUJS-ZDLGFXPLSA-N	574.205	6.594	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(CSc2ccccc2)o1	104228736	WKTTYAMZQOMMCU-AMVVHIIESA-N	545.875	7.875	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	150385198	CIBNTPCKDNRYJE-CHSHITCJSA-N	680.057	8.522	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c1C#N	150404123	DBYNLABTOAPGAT-QFDQHJFZSA-N	666.754	5.703	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)NNC(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2)c(Br)c1	150413749	KUFKOENRTUJJRK-UHFFFAOYSA-N	674.415	5.670	50	40	KKGB	
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](/N=C(/N[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)SN(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)CC2	263599171	IQLRGRUSAKYYQG-WORRVBDRSA-N	989.091	6.674	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1	408536680	AHWSYCRMHOMLMK-KOEQRZSOSA-N	573.476	8.096	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1	408538705	PJLRDTMCAJORHW-RDRPBHBLSA-N	548.639	6.475	50	40	KKGB	
COc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2)ccc1OCc1ccccc1	408540406	RIQUEDMLWCMYED-XYGWBWBKSA-N	525.004	7.052	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408543254	OLOUEYOIKLHLJA-IWIPYMOSSA-N	525.992	6.570	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551605	OMKJFQCVQCLPMC-GIJQJNRQSA-N	552.439	6.628	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408567439	DVIPILQBWUSCGM-CCVNUDIWSA-N	618.531	5.953	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	408570936	ZQLBGBBEQFGIOA-CCVNUDIWSA-N	561.498	6.175	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408640341	ASXSTAVFWDIDPX-UFGGAMNASA-N	622.741	5.137	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408641082	JOOYWXWFLOIRBG-BDXSIMOUSA-N	661.572	5.265	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408644844	RXYNPZLZBOMBCE-OAHLLOKOSA-N	653.560	8.141	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1Cl	408652900	PCUIICVGLKWKBA-BBCKRIEKSA-N	663.577	5.665	50	40	KKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCc1cccc2ccccc12	408691570	FKOORXVTGWIBHJ-HMAPJEAMSA-N	585.445	7.379	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1cccc([N+](=O)[O-])c1	408723158	NSZKNCUHJLFAFT-VBQLZTBCSA-N	576.996	5.215	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408726611	UJNXZEGQFBEDEO-JMIUGGIZSA-N	574.302	7.896	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1	408728243	XYTCAZQODLJJTG-BIZUNTBRSA-N	578.090	5.658	50	40	KKGB	
O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408731689	PBLZPKJJLMXYBS-VFLNYLIXSA-N	634.343	6.523	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408745524	NFSAHTIZNLBDDE-XKZIYDEJSA-N	592.287	7.498	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1	408746708	FXPOSQQYKAXQMY-JAIQZWGSSA-N	511.803	5.913	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747319	MCAVVRLACITNNF-CHHVJCJISA-N	753.987	8.090	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408753592	GPZBVOXLNOFAKW-NDENLUEZSA-N	597.263	6.973	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408758696	PIMYPCYBYSDCHU-PXNMLYILSA-N	719.542	7.436	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1cccc(F)c1	408762045	MLLNCGWTMZUZIB-MTJSOVHGSA-N	521.386	6.450	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1	408787734	FMMDFLOZHUELPM-XDHOZWIPSA-N	509.331	5.499	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408787837	GWHIVNJHYJWTGC-GZTJUZNOSA-N	549.195	6.723	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408790821	ZECPEEXQZSYRAO-CXUHLZMHSA-N	620.197	5.792	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408792150	ITCRJJPNGWGSLQ-FRKPEAEDSA-N	696.195	5.837	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc(F)c1	408793816	GHOXAIUWXIGPAA-VXLYETTFSA-N	542.348	5.872	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(F)cc1	408796751	OYJSINOYFAMMLR-VXLYETTFSA-N	543.820	7.073	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1	408799462	ZFKBJXITBOBECZ-FYJGNVAPSA-N	504.926	5.340	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408800655	OGCWSDZULMTQFK-WOJGMQOQSA-N	515.780	6.558	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1cccc(Cl)c1	408805901	IDIPOIYUCHKKHF-VCHYOVAHSA-N	593.248	7.121	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2c(C)ccc3ccccc23)cc1	408810635	MMGIVYNRODYFEC-LFVJCYFKSA-N	525.004	7.103	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(I)cc1	408818132	XZGGRKQYZZDMCL-YVLHZVERSA-N	607.217	6.326	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408823344	NWPWBWLOPKJXHZ-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408824644	ISLJRJLZWDHRBF-QGMBQPNBSA-N	663.852	6.393	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1cccc(C)c1	408832210	QIIPNDRAHFNGGN-MFKUBSTISA-N	664.927	7.965	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)c(OC)cc1Cl	408834839	VWYRQOYHHMQPRR-DJKKODMXSA-N	571.855	6.561	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1cccc(C)c1	408836367	QNQPEKJTIKHHIV-WGOQTCKBSA-N	587.503	8.404	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccccc2Cl)cc1	408837311	CADNNSIIZHPIAW-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC	408845636	KUZYDNBQCIJCKM-MSXFZWOLSA-N	506.194	5.849	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(F)cc1	408848191	QKGGQCAKXIQYML-XKZIYDEJSA-N	609.439	6.155	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccccc4-n4cccc4)c3C)sc3c2CCCC3)cc1	408859852	ZYXTXFMYNQARTB-XICOUIIWSA-N	575.738	7.150	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Cc1cc(C)cc(C)c1	408867195	JJFXEWXJMPBKNI-SRZZPIQSSA-N	512.959	7.511	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1Cc1ccccc1F	408867767	NHSJQGQVMPXRRG-VCHYOVAHSA-N	560.794	6.619	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Br)cc1	408875995	IJKFMXFZUSEDPT-VCHYOVAHSA-N	671.251	7.596	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c([N+](=O)[O-])c1	408880065	ISTDSLDZDQKZLF-HYARGMPZSA-N	542.389	6.944	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408891363	PJJKBIGYBYXIHB-FYJGNVAPSA-N	525.026	5.977	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1	408943632	UEPDELAEPDLQPD-DPNNOFEESA-N	612.535	5.922	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c(OC)c1	408943786	IFZZTIJVVWTJQN-MWKDUONYSA-N	730.410	5.519	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12	408947076	NQPDPEIGMGGRPT-HKBQPEDESA-N	677.610	6.611	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccc(F)cc1	408949603	IMNXWWLXKOWMNK-ONUIUJJFSA-N	523.608	6.279	50	40	KKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408949906	SQOGCOLIOVQUML-FKLQAHIASA-N	530.466	7.156	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2I)c1	408951597	LZKVPWBDGGPUSG-UCQKPKSFSA-N	561.423	5.926	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N\NC(=O)c5ccc(Cl)cc5)(c5ccccc54)[C@H]3C2=O)cc1Cl	408958431	YTXIJYGFMIKVJL-NAMQKWHYSA-N	580.471	6.268	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408968618	XYKHKRZTGBSRFW-KPGMTVGESA-N	500.961	6.101	50	40	KKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)c(Br)c3)oc12	408970014	YPOVROCCXPVQKF-UVHMKAGCSA-N	513.775	6.200	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408970629	JLTYHTBZHHXZLK-JVFUNOFTSA-N	595.439	5.807	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408991315	ZUURGEMYLVOMBZ-MFOYZWKCSA-N	639.569	8.061	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409003801	UZRVWGLATWEPKF-KVAAJVFYSA-N	610.881	7.281	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)cc1	409035722	KAMLTASPBNTTDN-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409044053	AQIQFTSAIHTGHA-LZYBPNLTSA-N	598.188	7.494	50	40	KKGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	409063287	KAVNOWUPNFPSMA-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1	409063485	LRASESJDGRPKHM-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)O)cc2)cc1	409065985	OFEDUUHQINBHDW-YBFXNURJSA-N	511.361	6.215	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccccc1	409086720	ATRFOJRZMWWZEA-RIYZIHGNSA-N	522.266	7.258	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(CC)cc3)c(OC)c2)cc1	409155813	CZPOCFINULELER-KCSSXMTESA-N	672.520	5.147	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1	409165776	BJYYREJDIBXAGR-VVEOGCPPSA-N	669.303	5.275	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)c1	409184642	HSCODPPFBHHQRO-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(C)cc4)c(I)c3)cc2c1	409187074	LPKXFFVLCCOCKU-NUJZUDFISA-N	633.280	6.850	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-]	409223896	HHPKIAQELFCWHB-WSLLTWRJSA-N	568.973	5.883	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1Cl)c1ccc(NC(=O)c2ccccc2)cc1	409226604	VIXFYDURLRNMQH-LQNQUEJISA-N	542.935	5.484	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccccc1	409228464	AJUZLGGRFNPILV-MAGMUUGSSA-N	548.437	5.650	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2I)cc1	409233993	VHTPWLXNVJEVJT-JLPGSUDCSA-N	536.413	5.835	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)c(C)c1	409252613	UEXPEEHIJOJMFY-LPYMAVHISA-N	518.411	5.307	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1OCC	409300764	AYXDYICYZMCCGO-UHBFCERESA-N	620.871	6.260	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OC	409320312	ARVKXDMTRHOIGA-BVMLUPFRSA-N	657.332	7.137	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccccc1C#N	409371203	CWZGOTGTEAUMDW-GRSHGNNSSA-N	510.306	5.954	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409373382	IMBZLYLRQNACRN-NVMNQCDNSA-N	557.275	7.983	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409385247	ISYDACKNMGYGND-IPBVOBEMSA-N	609.285	7.230	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409389642	CGVBGGOKZNSRRC-IDUWFGFVSA-N	507.186	7.547	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)[nH]c2c1	409393745	ZVFDGISQPDARLX-PXNMLYILSA-N	573.672	7.393	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409394964	IDSYWMMWEGYMAX-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395011	IUOBGUADFIVLTC-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409396096	WKLAALFOOYSZEO-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396354	NCAQVKIMAUTXTG-UHFFFAOYSA-N	620.027	8.197	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397814	OIMGIXVTJVCSOB-UHFFFAOYSA-N	672.532	7.005	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409403757	NSITYIDTSLSLOW-UHBFCERESA-N	591.418	5.713	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)c([N+](=O)[O-])c3)o2)cc1	409404352	PYQABCJZRGMZMK-HQDYHJHZSA-N	599.043	7.171	50	40	KKGB	
CCOC(=O)COc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409404556	QFTZOCMOVDAXNZ-UHIZKJEFSA-N	703.384	6.506	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409410285	UVFCVYOVPQPTIH-FZKWRIDDSA-N	608.607	6.166	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccco1	1255531	UBKQDWDNXRPGBY-HSZRJFAPSA-N	553.562	6.067	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	1868980	QNLFSJCROHIXRT-HSZRJFAPSA-N	576.900	5.360	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1885232	SWOYJVWLBBAGAX-OKCVXOCRSA-N	579.082	6.044	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC3=C2C(=O)CCC3)ccc1O	2210556	NPWUJCYBYKHCQD-HSZRJFAPSA-N	530.433	5.509	50	40	KKGB	
O=C(N/N=C/c1ccccc1Cl)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1	3176355	SFRZORSKNBOPRY-VUTHCHCSSA-N	504.011	5.499	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(OCC)cc3)cs2)cc1OC	4290131	GQUQZEABJYURHS-CJLVFECKSA-N	505.640	6.722	50	40	KKGB	
COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC	6906196	VFJLSNDSJUATDK-BIZUNTBRSA-N	540.572	5.128	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(OC)c1	8384547	YSCMVKKEGYGMTB-FUQSLGPRSA-N	628.513	5.130	50	40	KKGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12)c1nc2ccccc2[nH]1	9187425	NNVYGSUPLOZHED-GHRIWEEISA-N	501.468	6.119	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(O)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9273087	QELCBBAGWBOEJL-STBIYBPSSA-N	515.639	5.188	50	40	KKGB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1	15911068	KSDDLFDYTCHPQL-UKTHLTGXSA-N	512.891	6.713	50	40	KKGB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1Cl	26779577	ZSAPGHRJQNVBAC-HKWRFOASSA-N	507.981	6.694	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2C)ccc1I	33353259	DDBHQTMFQWQIFV-WCMJOSRZSA-N	588.449	5.626	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	59856410	SAMPJMSHAQAMIV-FDAWAROLSA-N	562.047	5.506	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(Cl)cc1Cl	97968911	VWRBQPNUOUTLKP-FJEPWZHXSA-N	557.528	6.265	50	40	KKGB	
C/C(=N/NC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccccc1	97970389	FDQXXZGHNVGFBG-RFPUYBDHSA-N	583.476	5.804	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	97972356	FVZVYPQAMXHENX-BJOHUXPJSA-N	642.462	5.327	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccccc1F)c1ccccc12	98008191	FPBGTAKKNFWMFQ-UUWRZZSWSA-N	575.043	6.985	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)c(C)c1	100100744	MYTYIEIQVISTOK-RPPGKUMJSA-N	529.460	5.765	50	40	KKGB	
N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1	100210255	CNHNLVCUAKLTHN-IBGZPJMESA-N	532.467	5.273	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1	100852808	YZCLCGIBSMTOSY-OGLMXYFKSA-N	536.748	6.795	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(I)cc1	103888448	PMXYCYRWGNDYTP-KQWNVCNZSA-N	534.397	6.453	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C)cc1	103890480	FHJPUDRCBADBRM-ODLFYWEKSA-N	560.275	7.588	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CCSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104700061	PLMZDHVNDMROMD-XJGNFJNRSA-N	525.674	6.322	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1	118917115	OJNMMFFBVGCZFD-DAUCLDMCSA-N	524.746	5.552	50	40	KKGB	
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C	118931338	VXIQRXMZKFMUCO-PZFMJRJJSA-N	574.633	7.593	50	40	KKGB	
CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341665	OVHZIIWEWTZAAC-AWEZNQCLSA-N	892.357	13.406	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342170	JWZIENHPTPRSFD-REOHCLBHSA-N	692.016	8.387	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)cc2)c2cccc(Cl)c2)cc1	150385344	JQCJKKYKWNWXEW-VQWGYEAZSA-N	679.164	8.234	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)[C@H](c3ccc(F)cc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)[C@H]2c1ccc(F)cc1	150410769	OSBNGANCHOLRCB-RNPORBBMSA-N	654.808	8.177	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cccc2ccccc12	150593828	SHSUAPYCGOCMSP-KYHGBAKBSA-N	682.299	7.545	50	40	KKGB	
COC(=O)[C@H]1O[C@@H](Oc2ccc(-c3sc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3C(=O)c3ccc(OCCN4CCCCC4)cc3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	195988646	YPNOPKDREFSCOE-BJWFOKEOSA-N	904.120	8.120	50	40	KKGB	in-vitro
N#C/C(=C/c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408553485	WUDJDDVRYUBYKV-AUWJEWJLSA-N	658.561	7.735	50	40	KKGB	
Cc1cccc(NC(=O)Cn2cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c3ccccc32)c1	408553693	PCOGYAPMEOVGHN-XSFVSMFZSA-N	519.630	5.946	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408580333	OMOZDGSMOJDFQD-FRKPEAEDSA-N	527.662	8.995	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc2ccccc2c1	408599196	PVVJDHCNFOKQJS-CCVNUDIWSA-N	677.236	6.300	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Br)cc1	408603336	GLDPKDHFUWPMTP-GOSISDBHSA-N	542.405	5.062	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408674539	ZZUSALBRUDCYDU-ZMEQDVRBSA-N	685.196	5.543	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1cccc(F)c1	408676167	GKJJZUUVMYMSKI-MUFRIFMGSA-N	526.406	5.540	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408687879	VHUBXXQBHHEXFT-YRYYUTHUSA-N	601.122	5.329	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408689277	YBRPQXRICZKWPI-BQLFOJHWSA-N	646.119	5.237	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408727476	ZJQJGHTZRRHPCP-WQRHYEAKSA-N	619.253	6.196	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1ccccc1	408731449	MPMWXFLLBRKMHK-ZPYZOWKBSA-N	547.614	5.806	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCc1cccc2ccccc12	408749994	VYJTWAABJNYUBC-WKULSOCRSA-N	570.814	6.449	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1	408761156	BVOGUYAJIOYIST-MFOYZWKCSA-N	576.672	6.998	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1cccc(F)c1	408789287	IKUCVEMJUCNJKC-DJKKODMXSA-N	543.820	7.073	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408792186	JFGBVFAQICHKDI-UDWIEESQSA-N	664.281	6.591	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2I)c1	408792248	AASHFLSXMNLDGD-CAOOACKPSA-N	642.118	7.794	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	408795260	LHYJMYSUTWGREN-UDWIEESQSA-N	678.264	6.197	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccccc1Cl	408795744	NAHNYBPQILZKHJ-UDWIEESQSA-N	690.706	7.827	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408827804	UYSBYCFJVJVHSN-LPYMAVHISA-N	687.215	9.222	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408829403	NWGIQHJLVRLKMB-WSDLNYQXSA-N	719.790	8.964	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1cccc2ccccc12	408833051	RIQSOFXEJIMKIF-MTDXEUNCSA-N	667.987	9.358	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408839229	PBMSWBIULPPUER-XJECJHNESA-N	707.006	8.619	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839493	TVHOATFSJGNEGV-LUOAPIJWSA-N	606.727	7.202	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc(F)c5)c(Br)c4)cc3)cs2)cc1	408841846	HZRNIUJCZWZLLL-KVAAJVFYSA-N	615.528	8.107	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2ccc(C)cc2)cc1Br	408842697	PTBMCTJGGWHDHV-IPPBACCNSA-N	584.414	5.131	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC(=O)O	408842699	BYXODRHHLXTAGD-LJUMEUDFSA-N	531.996	5.732	50	40	KKGB	
O=C(NNC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1)c1ccc(Br)cc1	408842927	LXVZTVKQVXLIMF-UHFFFAOYSA-N	563.260	6.298	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CN4CCN(c5ccccc5)CC4)cc3)cc2)cc1	408860212	WSNZKHXQYYHXQI-QCFMCPCVSA-N	561.686	5.099	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1	408874090	YKKOGFSHIJGVEC-LQKURTRISA-N	532.449	5.212	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)cc2)CC1	408875469	FVSOQVSXBNWJML-HPNXWYHWSA-N	643.582	6.131	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Br)C(=O)Nc1ccc(F)cc1	408877640	WRSNFTDAYMXOCY-LDADJPATSA-N	514.192	6.487	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1Cc1ccccc1F	408877961	ZAANMUIAKPRHQT-LZYBPNLTSA-N	581.212	6.882	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408883219	UGTAKBVRKHLDFR-WKULSOCRSA-N	546.446	6.565	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OC(=O)c1ccc(OC)cc1	408887423	OGQVXAHJFWCAAY-XDHOZWIPSA-N	616.839	6.425	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)cc1	408950856	UJGXTPORHWSOQS-QJOVZPHJSA-N	625.498	7.136	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408951092	LBLLEDIPIUFVNA-BKUYFWCQSA-N	518.386	5.914	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OCc1ccc(Cl)cc1	408955328	ONYXAUARJSEQPE-NJLXJUSUSA-N	677.154	5.385	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c(OC)c1	408955748	PDVABTFDICEPJF-HVJLQFNCSA-N	659.498	5.440	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1	408973588	ZGHBPGYZUYECLU-RDRPBHBLSA-N	525.443	5.977	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1Br	408978980	KQUBJYDKPNRJFG-QYJQOTDOSA-N	609.340	5.089	50	40	KKGB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c3ccccc3)c2C)cc1	408980871	TZEHZZSUIHOGJO-FCFFNXBQSA-N	532.641	5.379	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1	408992211	QUDQJHJDRDTQDA-LDADJPATSA-N	530.587	6.078	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccco1	408995174	ALFHRZOPYHRHIV-UXHLAJHPSA-N	511.534	5.222	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)Cc2ccccc2)cc1OC	408997851	OITYJOTUZORFGL-APTWKGOFSA-N	588.730	5.069	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409005973	GSUJUJZMEWKNDF-PJYNGAJZSA-N	682.821	7.189	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409013078	SNMRLKSVTFOFID-ZSNJKBEMSA-N	569.677	6.474	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409026913	GAWBVQVRPVINKB-QXUDOOCXSA-N	638.142	5.681	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCc1ccccc1	409041563	WHBPBJDWALQCKL-GMEAVFFOSA-N	541.651	7.372	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(I)cc1	409048874	XOGQDQGVQRQLTL-FDAWAROLSA-N	570.434	6.678	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OS(=O)(=O)c1ccccc1	409064338	DBWPEEGVMMNYNL-RCCKNPSSSA-N	523.010	5.781	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409074654	WGZWUJMOAZMGIN-FJEPWZHXSA-N	566.938	6.286	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	409077163	DIHYFVQMLZSGFF-OVCLIPMQSA-N	545.143	6.884	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1	409082471	QARZHUSOJYXIMY-LICLKQGHSA-N	515.875	7.222	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409089227	YXPRUBZWSKEXFC-PPDIBHTLSA-N	614.223	6.248	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409090172	LWSPCQBZHXUFHC-RIYZIHGNSA-N	643.743	7.218	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	409120585	UJSQRYREOXSIOQ-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409175072	POHMMZAUQXNACC-XKJRVUDJSA-N	563.825	5.070	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)CNc3ccc(I)cc3)c3ccccc32)cc1	409178033	KFPCMSXCCMITNV-GCJGONDWSA-N	666.519	5.365	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1	409185294	WCJLSHDQUIBJDB-MUFRIFMGSA-N	552.266	6.637	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	409185688	OQHXYOQSKJQUCJ-WKULSOCRSA-N	557.459	5.204	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1	409185870	RTKYCAPQFWPRFR-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OC)c3)c2)ccc1OC(C)=O	409218757	KIHARUSKLHCKTK-ZXGVQSJCSA-N	652.616	5.172	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	409219637	SQGHZGVFGFTYDD-YKQZZPSBSA-N	522.517	5.139	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccco1	409220208	ZHWWHEWRKLZWFK-UHFFFAOYSA-N	576.403	5.676	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1	409226295	UOSZPXKXBALEIV-MZFJOGFUSA-N	541.991	5.513	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409247896	DQTHHVSSLDPBJL-YSYOEVFLSA-N	766.061	8.219	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1C#N)C(=O)NCCCc1ccccc1	409250614	XPFVNNMJAODMSC-QRVIBDJDSA-N	673.292	6.002	50	40	KKGB	
Cc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1	409257093	QEAWBSBJTGGOTC-BRJLIKDPSA-N	547.203	5.771	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)cc1	409260645	TYQUEDXVVMVJSE-ZMFRSBBQSA-N	545.231	5.301	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409261509	COBIWGHQYGFRHK-QRVIBDJDSA-N	532.040	6.536	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409261743	DECVUNGHVONFEV-KOKCXWAISA-N	698.643	8.113	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409261964	FQLJYAIZMJAQPK-KOKCXWAISA-N	698.643	8.113	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409266991	ZQXBMVPOYZKDDB-MHWRWJLKSA-N	575.246	6.328	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1C	409271527	MCIUJSFEYMVISD-XDHOZWIPSA-N	520.383	5.335	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409272857	SYJBRKWOPJOGNN-QDTIIGTASA-N	544.833	5.509	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1OCC	409315462	VNKDLRICTCQYFT-KYHGBAKBSA-N	626.345	7.505	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)ccc1OC	409322432	XDSFJQNMYNFQPS-FDVSRXAVSA-N	606.311	6.361	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCc3ccc4ccccc4c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409322912	LXPPFZOQDNHILJ-ZEQRLZLVSA-N	507.011	5.563	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	409331797	ICFJRQSKDPKGDF-UHBFCERESA-N	596.421	5.813	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OCC	409335507	OPUMCCFKFVXMIK-UHBFCERESA-N	575.887	6.642	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	409372713	HIQVRAZWROORBG-ZRGSRPPYSA-N	537.197	5.936	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409373224	OWPUXXIUCBAVTG-VWJSQJICSA-N	602.312	7.659	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c1	409373827	ZHUGLRXNFWTKQJ-UVHMKAGCSA-N	533.806	5.471	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)cc1OCC	409396601	ZGTFTFWQAOAAMM-UHFFFAOYSA-N	678.942	8.170	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397329	ITGGDLFALQRULW-UHFFFAOYSA-N	531.612	6.752	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409398753	VNIIGBJDJQVQML-UHFFFAOYSA-N	548.382	6.726	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC#N)c([N+](=O)[O-])c3)o2)cc1	409400575	DPQXFYUWPRNZHV-MNDYBZJGSA-N	547.955	5.494	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccccc3F)cc2)c1C	1529548866	VUTJZFUPZQYRSG-OPQHIAOESA-N	669.779	5.697	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccc(C(C)(C)C)cc1	2697668	VGEREZQEQLJHJG-STBIYBPSSA-N	515.687	5.307	50	40	KKGB	
CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	3139552	AQBOPTXUXVCPJB-BRJLIKDPSA-N	535.395	5.508	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3c(ccc(Cl)c3Cl)[C@@H]2[C@@H]1Cl	4131462	WLRMATSNTPBCTC-FRPRTOITSA-N	523.844	8.079	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccccc3F)cc2)sc2c1CC[C@H](C)C2	6167154	BVPUAGOTBAZPCA-DVHOOAJRSA-N	551.640	5.359	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc2)sc2c1CC[C@H](C)C2	6167169	IWANSWBNPMKQSC-LLYJQFAYSA-N	602.540	6.526	50	40	KKGB	
CCCCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1	8449608	NIRMOMHGUKKFAF-NAZAJNFNSA-N	569.334	6.015	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@H]1[C@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1	12618599	QQPIYUDJYPYGNB-KRFMAMIKSA-N	503.605	7.180	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(F)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	30735401	SYRMSGJNOMPSBZ-LQNQUEJISA-N	501.631	5.922	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccc(C)cc1	59437004	KGFZXZFMUDCDHL-AJBULDERSA-N	528.678	5.311	50	40	KKGB	
O=C(N/N=C\c1c(Br)cc(Br)c(O)c1Br)C1c2ccccc2Oc2ccccc21	97971047	PNGLMFFZKYRSTO-MRUKODCESA-N	581.058	6.068	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc(C#N)cc1	100063492	IOXBVXNTDRKWIF-WKULSOCRSA-N	571.269	5.754	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	100126548	OISPOLNGFUZXAC-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc2F)cc1	100139089	LTQHHKSITBKJJG-FJEPWZHXSA-N	560.434	6.047	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)o2)cc1	100211320	YMXRCVURGAMUKD-UXHLAJHPSA-N	566.035	5.122	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C3=C(O)CCCC3=N2)c(OC)cc1Cl	102503554	NQEIUGIXIGUTTE-QHCPKHFHSA-N	514.003	5.900	50	40	KKGB	
CCOc1ccc(N/C(SCC(=O)N[C@H](C)c2ccccc2)=C(/C#N)C(=O)Nc2ccccc2C)cc1	102719025	YGPKDALKECZGDE-FTFKPFSJSA-N	514.651	5.790	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	102807246	KBJNSBJDSQVKIS-VWLOTQADSA-N	554.455	6.398	50	40	KKGB	
CC[C@H](C(=O)c1ccc(Br)cc1)[C@H]1[C@@H](C(=O)NN=C2c3ccccc3-c3ccccc32)C(=O)OC1(C)C	103021712	QQYBXONNHLASCK-LQGLAIQGSA-N	559.460	5.775	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103894897	KPMIGMBNYPHCPM-CPBCUTPGSA-N	602.765	7.628	50	40	KKGB	
O=C(O[C@@](CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1)c1ccccc1	104106139	UDZGJDISDIQBBV-VQJSHJPSSA-N	606.702	7.738	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CSc5ccc(Cl)cc5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699972	RYDBRHUIOGPGMU-AGZORDKZSA-N	622.190	8.399	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342157	WDBUMDQNOKGWJE-UWTATZPHSA-N	842.037	10.293	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1	150386680	JSJDHDHWVQHGAO-DMWKKASYSA-N	668.386	6.682	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	164745208	PUFPFCPGYRAOAS-PXNMLYILSA-N	662.138	8.428	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)OC)cc3)cc2OC)ccc1OCc1ccccc1	408539516	WVTIPWODFFEVRK-YUMHPJSZSA-N	627.093	7.238	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	408540382	RAQYOLQZCLPSSG-CAQPMQTCSA-N	560.006	6.569	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408541834	HZATZNVYCUZDGH-LSCVHKIXSA-N	545.806	6.868	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551108	BFRQKBUXACTWDS-BVMLUPFRSA-N	585.285	6.619	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OS(=O)(=O)c1ccccc1	408581049	TUOWRIQDAKAMQN-OQLLNIDSSA-N	586.234	6.438	50	40	KKGB	
O=C(NNc1ccc(OCc2ccccc2Cl)c(Br)c1)[C@H]1CC(=O)N(c2ccccc2)C1	408606054	LEXDMOJMSQSBKR-KRWDZBQOSA-N	514.807	5.178	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408641321	JWYURGSZOBKFRN-NVPYSNMXSA-N	754.215	6.856	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408647372	VFYROETZDPKXRY-HNNXBMFYSA-N	841.916	7.832	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	408677928	WBFHRLZTOMINQG-OCSSWDANSA-N	566.452	5.489	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1cccc(F)c1	408744386	FFYRLIHRXISBGM-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3Cl)cc2Br)cc1	408745233	QLYJHWFRMODVOH-UNOMPAQXSA-N	541.829	6.634	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Br	408753990	PBILLZKBJQLRNT-QPSGOUHRSA-N	508.981	5.208	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl	408765623	WTSCETFMAQHCAG-NDENLUEZSA-N	552.255	8.034	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408773797	JFDBEYBIMFBBGE-MXAYSNPKSA-N	544.526	8.414	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccc(F)cc1	408781891	CTDAQRXRYIRWKE-MTJSOVHGSA-N	523.402	6.728	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(Br)cc1	408792974	MWKVVRBVTKTGQC-UDWIEESQSA-N	570.281	7.043	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408793381	DZVRRLIBNKHXFO-SRZZPIQSSA-N	599.255	7.876	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(I)cc1	408795990	WUSYAFKHKSKONK-BUVRLJJBSA-N	695.351	7.766	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408796313	OPZJIXXWZLVJSB-QGMBQPNBSA-N	571.656	6.861	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1C	408796315	XVHMDELIGLBCDR-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408797794	TZGWIQWMPRACMX-NDZAJKAJSA-N	589.091	8.596	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1cccc(C)c1	408798207	VCQIBKQIYOPPFV-OEAKJJBVSA-N	519.439	6.843	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408804134	WGKYAMRPLFOIME-LICLKQGHSA-N	546.646	6.990	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408805470	KJAZJPDSWALQTK-XMHGGMMESA-N	552.255	8.034	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccccc2Br)c1Cl	408812031	NINOKJCYLACPAM-OPEKNORGSA-N	525.186	6.033	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc2ccccc2c1	408814079	PWKQAISJGRLAHZ-XKZIYDEJSA-N	531.381	6.875	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	408814940	SPDCJVGLBPFIBC-PNEAAFPUSA-N	535.647	7.949	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408816255	JESSLKFBISRTSW-RIYZIHGNSA-N	604.288	5.593	50	40	KKGB	
C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408830092	ROECRQDSDCIQIG-SZOXOVSESA-N	583.113	6.521	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408838322	DNAPWDXACSCPNH-MHDJOFBISA-N	622.486	7.435	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408839120	NJAJOSVMUQRWMA-ATZGPIRCSA-N	632.923	7.553	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OC	408840064	XIQUODIYIOKJBX-RWPZCVJISA-N	507.015	6.378	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1C#N	408840825	BYIIWDKRXACGCD-SAEPALGJSA-N	622.150	8.129	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408840894	CXLBKJBEENTPEB-AABVJFSESA-N	739.979	8.071	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408847754	UICBBISSSSHYQJ-OEPDXVHDSA-N	702.185	7.523	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408848091	PLMRGGJMKOTKSL-NGUGDGFLSA-N	548.064	5.376	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2ccccc2o1	408852387	TXVABEVWBFOCTI-MNDYBZJGSA-N	533.809	7.345	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408855696	GPMJVQOWCRMVCT-KNBZMSCYSA-N	701.224	7.302	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccc(C)cc1	408859615	OFOKSBOYFAQELS-QLQYKETESA-N	628.150	6.735	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(OC)c1	408870223	UAQCRJZZYHUUIN-RGVLZGJSSA-N	507.930	5.068	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc(Cl)cc1	408877004	RYFAECUFLFILLO-LIFJFEPXSA-N	566.867	6.199	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1Cc1cccc(F)c1	408877693	TVGHTJIFOXQUMA-GIJQJNRQSA-N	524.346	6.032	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cc(C)cc(C)c2)cc1	408880364	JNSNQOKOXJNEEH-OEAKJJBVSA-N	533.422	6.367	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(Br)c2)cc1	408881143	IDXSSLAUNOGINV-YDZHTSKRSA-N	503.396	5.989	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(OC)c1	408884189	XASFQTYDFWSABD-RGVLZGJSSA-N	552.381	5.177	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1	408886139	DRJBAOILPHTXIU-LPYMAVHISA-N	582.438	6.440	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408887734	STDQGENUGULARY-RIYZIHGNSA-N	537.186	7.333	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2ccccc2F)c1	408888668	YQBNQYZGWJTOPT-KOEQRZSOSA-N	508.549	6.538	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccc(F)cc1	408890281	QUHFMFSGGFUSKL-FYJGNVAPSA-N	531.381	6.875	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408903978	BYRLMRIMGTVPJG-QDTIIGTASA-N	551.268	7.198	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccc(F)cc1	408953199	LSHRLYRGXCDGHA-WTIDAYISSA-N	674.726	5.261	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccccc2F)c(OC)c1	408957714	VPBQXYBXTSCWGV-VOSMKULASA-N	795.400	5.501	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(I)c2)c(F)c1	408967769	RZQJHDZRKCLWLN-KKMKTNMSSA-N	533.728	5.298	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408968097	UFGYWTAFOPZKGD-VPUKRXIYSA-N	551.199	6.118	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC	408972464	UBOYXXHHEBJFNI-LUFOQCCLSA-N	637.358	5.808	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	408974073	WRKAPGQHFJRTQE-QZYRASKOSA-N	658.174	5.869	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(I)cc1	408982043	FIWNVXZQVZIJDA-NVMNQCDNSA-N	637.699	7.149	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	408982230	CWJVMAUQZQHLCT-LGUFXXKBSA-N	548.473	8.972	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)s1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	409001160	UYZHZFNVDYOCNA-NDZAJKAJSA-N	526.459	7.399	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccccc1F	409021617	QJBQUPSLFRFGPO-NVJOKUIPSA-N	531.765	6.339	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccccc1	409053864	RESYEFWOBHFHHJ-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409073185	PMNJOKMHPSLYQS-OQLLNIDSSA-N	639.811	5.175	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409076273	AFGWGCGRDYYYJI-OVCLIPMQSA-N	580.302	7.045	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1	409085426	YZWVHEAXRBIPFD-NTEUORMPSA-N	566.717	7.367	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409128610	FTNNVYJSEXSHRT-FABQOPTDSA-N	646.980	6.970	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409135562	QJANTUGUCKSDSG-SANMLTNESA-N	566.496	5.419	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C	409152296	ARYTYJZXVKUCPM-XJECJHNESA-N	684.575	5.523	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1C	409181294	ARTLSMQEKVPBPQ-VTMDLDPDSA-N	574.080	5.852	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC	409209451	BRLOQPUXZTYNQV-FSJBWODESA-N	530.815	5.151	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)/C=C/c1ccccc1	409219330	LHCFLGWNSNUPGV-VKWSRFRISA-N	601.581	6.739	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2)c1	409219663	OWXVBXDUJXSKHD-SHAAPSJBSA-N	692.320	6.755	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1	409219699	PDBUBSFFSVYQPV-LICLKQGHSA-N	603.698	6.737	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OCC)c3)c2)cc1OCC	409228024	ZIJJPSAIELJUCT-UHFFFAOYSA-N	625.678	6.127	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409249277	HBPHNPXNNQZWKO-VZCCZUBFSA-N	512.393	5.084	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1Cl	409253885	CLRARMVOYDBNFT-CAOOACKPSA-N	516.768	6.945	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409255337	YULIDGKTARDZGN-LZAZYHHXSA-N	566.427	5.789	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(N)=O	409258286	VVFRUPIZAVNESB-AQLQTECXSA-N	608.518	5.651	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409269014	CVTVUHNDSWQXFR-QDTIIGTASA-N	500.382	5.400	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1C	409271743	MKYOPMOPHRZIMR-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1	409367965	KGZCKBSMAFSKNZ-UCMJSZAQSA-N	588.649	6.592	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(Cl)c(Cl)c1	409371871	AXETUFBXKKGZMG-FJEPWZHXSA-N	509.389	6.507	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1	409376599	BQVQZUKHQNVZMA-GZTJUZNOSA-N	529.902	5.931	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409385936	MNXIZXQVKUPQDJ-RPPGKUMJSA-N	585.392	5.832	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCC(=O)Nc1ccccc1	409388020	ZTXLUNOSNTUIPG-CCVNUDIWSA-N	597.447	5.752	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)c(-c3ccccc3Cl)c2c1	409395628	QAEHUSCEANDVOL-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc(Br)cc1	409396572	ZCOISHIVYWBAMG-UHFFFAOYSA-N	799.528	10.066	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396581	XPARWYJXFTVHKW-UHFFFAOYSA-N	618.089	8.032	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3O[C@H](C)C(=O)O)o2)cc1	409400523	DPALBFORNLNABD-SQZAGUJWSA-N	580.981	5.444	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)o2)cc1	409403380	MMWTXPIDYPZMFU-AEUUOICLSA-N	572.036	7.402	50	40	KKGB	
CN([C@@H](c1ccccc1)c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2)[S@](=O)C(C)(C)C	1857795119	NOXCEZAWDZQFLW-SDZGCHGRSA-N	529.642	5.657	50	40	KKGB	
N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	1891915	IDTADITUCNRXRX-XFXZXTDPSA-N	552.759	7.328	50	40	KKGB	
COc1cc([C@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Br)c1OCc1ccccc1	2799036	FWRZQYFLQSUICM-CIXCFARBSA-N	571.519	6.903	50	40	KKGB	
CCn1c(SCC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)nnc1-c1ccc(C(C)(C)C)cc1	30742603	DWUIDEOJYRHCAY-DXJNIWACSA-N	527.694	6.084	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1Br	97939501	MQFXJILMAKBGAJ-JFLMPSFJSA-N	542.503	5.772	50	40	KKGB	
O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccc(N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1	97980827	JJAJFKSAPSLAHC-LFDKMKOQSA-N	676.824	10.836	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(Br)c2)cc1C	98001728	HTGVCRSJOJPKEZ-KVSWJAHQSA-N	639.138	6.339	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1Br	100119117	XPHAAJXYQHCYIF-KBVAKVRCSA-N	613.965	6.240	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccc(F)cc1	100328772	MTOQHHGROSXDJW-KKMKTNMSSA-N	560.470	6.028	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc4ccccc34)NC3=C2C(=O)CCC3)ccc1O	100836738	KATXMINTSTVMRP-HHHXNRCGSA-N	511.603	5.355	50	40	KKGB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)CSc3nc4ccccc4s3)C2=O)cc1OC	101006943	WRGJJWUWHYZJDP-JCMHNJIXSA-N	616.812	5.015	50	40	KKGB	
S=c1sc2c(s1)S[C@@H]1C[C@@H](I)[C@@H](I)[C@H]1S2	101463567	IDORSZWXNJCJBK-AIHAYLRMSA-N	516.279	5.485	50	40	KKGB	
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)c1	102619400	CSIHTYNIPBABOK-VWLOTQADSA-N	538.069	6.635	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccc(Br)cc1	103583343	FIQHLFHUQXQLQM-NUJZUDFISA-N	521.333	6.210	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(C(=O)O)cc1	103843918	KHWBUBFOHSZVHY-UUYOSTAYSA-N	621.431	5.324	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	103883853	QTAHBBZMHUCNPW-PLRJNAJWSA-N	548.603	5.445	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)c(Cl)c1	105116099	QGWOGMPMNXEVCE-AWQFTUOYSA-N	525.388	5.923	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	150385713	XXJKJJIVYYROBD-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	162472622	WMSVPKAYQPWWLH-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
S=c1sc2c(s1)S[C@@H]1[C@H](C[C@H](I)[C@H]1I)S2	227219317	IDORSZWXNJCJBK-QMKXCQHVSA-N	516.279	5.485	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@H]2C[C@@H]([C@@H]3C(c4ccc(F)cc4)=NO[C@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	250536965	MWNYMQJXYBAJDE-WCQBKGPNSA-N	631.624	6.960	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)C[C@@H](Cl)C(O)(O)C(=O)CCCCCCCCCCCCCCC	306146582	KHSGNNSVSOVARW-MGBGTMOVSA-N	587.370	10.766	50	40	KKGB	in-vitro
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408538151	JVQFBBXXWMYUBN-YUMHPJSZSA-N	627.535	7.869	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543144	PMOVSIHMOPAMAB-FZKWRIDDSA-N	553.581	5.612	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c(C)n1-c1cccc(Cl)c1Cl	408590536	PMVYSVCTNCLKLZ-KBKYJPHKSA-N	541.220	5.568	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408646110	VNRQMXSVSYZWJB-BRVVMQMESA-N	638.740	5.033	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1ccc(N2CCCC2)cc1	408675765	AHNJOCZRKYSUNN-WKULSOCRSA-N	594.280	6.541	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408676131	FXSDHQCAHMTKGU-FMFFXOCNSA-N	527.068	6.691	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3cccc(Br)c3)cc2-c2ccc3ccccc3c2)c1	408724875	MMUSBGJQZIIUDP-UXHLAJHPSA-N	509.407	6.527	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408726111	PJCCFUUYTKAZRY-MFOYZWKCSA-N	627.693	7.775	50	40	KKGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	408768868	KPXRSUVHPCMQKL-NDZAJKAJSA-N	538.585	5.247	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408780190	VBLDAGUPCBIZJA-OVVQPSECSA-N	548.890	5.455	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1	408788274	BXPJFJGFUISLRO-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3cccc(F)c3)cc2Br)cc1	408790348	VTIXUCQDZKDBGN-DEDYPNTBSA-N	539.401	6.510	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(I)cc1	408793145	DFLRGPPFXDFCBT-VCHYOVAHSA-N	695.251	6.327	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408794107	HNOYGMRZDFZYIM-BUVRLJJBSA-N	650.900	7.657	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408796401	NZEGPKXQLIZHIJ-GIDUJCDVSA-N	709.536	7.981	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1	408825913	SAMJCCQLGJWFFA-XAZZYMPDSA-N	611.334	7.048	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(Cl)cc2)cc1	408827556	KKDILFQWSVZCCQ-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccc(F)cc1	408830572	GFQSTMHLBOQXKL-MUFRIFMGSA-N	525.989	5.227	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc(Br)cc1	408830689	PTDBZDHWKAFEAE-BUVRLJJBSA-N	743.823	8.809	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1	408841189	JKWLQCAYXBNKFH-XHLNEMQHSA-N	512.075	5.704	50	40	KKGB	
Cc1c(Br)c(/C=N\NC(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1	408854503	GWHCFOYONDYNNX-MYKKPKGFSA-N	524.644	6.428	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408859418	XDTXGMATGWEAFO-BIKKEBSBSA-N	648.557	7.985	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1cccc(NC(=O)c2ccccc2)c1	408859707	PRFXVLCZQDVENV-KVQDIILNSA-N	531.660	5.415	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2cc(Cl)cc(Cl)c2)cc1	408863973	RXSZLWGJUXMSGV-NSSDMECBSA-N	653.588	5.904	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1Cc1ccccc1Br	408865029	AQHLTXHRPSZITJ-YBFXNURJSA-N	544.276	7.600	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Cl	408865539	CTNDVZQKFJNSSO-UHBFCERESA-N	585.469	5.066	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1Cc1cc(C)cc(C)c1	408874038	XVOIJYBNLWJXTA-SRZZPIQSSA-N	604.410	7.462	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408880698	GWDDASBDKVYEGK-KBVAKVRCSA-N	586.497	6.306	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1	408882608	PJHNTXYSHLMHOP-JJKQSNDFSA-N	562.976	6.970	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1	408888866	CBFFDDDIXDAZEB-WOJGMQOQSA-N	587.211	6.127	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408889555	FFDZVUNHVBTXBA-XIEYBQDHSA-N	554.624	5.896	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OC(=O)c1cccc2ccccc12	408889792	HDMIWNQKKAMFTN-OCSSWDANSA-N	547.405	5.993	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408890376	SAJPSYZBOYGZBJ-LDADJPATSA-N	606.413	5.451	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccccc1	408898769	MXVXCDWWKCAFOA-VCHYOVAHSA-N	635.150	7.416	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OCc1ccccc1C	408925661	VJAGOCPQLVKYJY-CVKSISIWSA-N	514.363	5.341	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCc1ccc(Br)cc1	408947227	AWPQAEGTHWVPQW-TXFJQYODSA-N	691.579	5.485	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCc1ccc(Cl)c(Cl)c1	408955900	POGZMFUSTRVTPR-DYVXTGDVSA-N	681.573	6.030	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408964649	XMXDSXZWBQEHLH-GJKDLVRMSA-N	709.421	5.742	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408971496	GLXBGONRXHHZHP-KDCBTHRKSA-N	526.464	5.762	50	40	KKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1C	408981980	WYYNETAEROVBSO-DTWZTBRYSA-N	539.076	5.616	50	40	KKGB	
O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	409000077	WYRJCGDRWBLMKZ-KPGMTVGESA-N	566.828	6.882	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1	409004098	WOBODFWRCUWNBY-DRQPSCMVSA-N	603.311	6.118	50	40	KKGB	
COCc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1C#N	409007703	QJCSDJFFCQRGOT-IPBVOBEMSA-N	516.454	5.365	50	40	KKGB	
CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409012969	JMAIDYXOFCPDRV-JGMDMLBRSA-N	536.843	5.967	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc3ccc(Cl)cc3)cc2)c1	409019103	VVARKJGOMZWDFI-JNKLXYNLSA-N	522.045	5.287	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1cccc(Cl)c1	409031652	JVZGRGCIMYMWDU-XJECJHNESA-N	617.558	8.520	50	40	KKGB	
CCOc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)cc1OC	409033932	GBVNMUSPOWOKHS-LQKURTRISA-N	504.384	5.836	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(C#N)cc1	409037290	TXYSCWACILNWRM-XZYGTATASA-N	591.465	6.887	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409038599	PNOXDQYEQHVDEU-QLQYKETESA-N	542.038	8.051	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1	409043350	QDMCPANPDCDIHJ-VXLYETTFSA-N	571.225	5.922	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409080301	MVRGKPOTMPHLHZ-RQZCQDPDSA-N	567.352	6.229	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1ccc(Cl)cc1	409094065	CXCZHLSCYQVTJD-XMMPIXPASA-N	511.361	5.918	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1	409140765	IMAHXDHFDFCMIZ-MZJWZYIUSA-N	540.856	5.391	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(C)n(-c4ccc(I)cc4)c3C)cc2c1	409184750	MTJBUTXLUSLNJK-VULFUBBASA-N	527.362	5.608	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)ccc1I	409187613	SLHCPYRANAUYDX-JJFYIABZSA-N	512.756	5.461	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)c1	409187715	UEAVKLHTIDOIIX-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1nc2ccccc2[nH]1	409187794	UJTDAWVFLFFKSS-BOPFTXTBSA-N	509.201	6.731	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	409214283	WWVCXFUOIJSVDS-LUOAPIJWSA-N	603.163	7.340	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	409217601	QOGGPEGATBKAJL-BRJLIKDPSA-N	534.819	5.832	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Cl)cc1	409244344	BHGQQMCKZLLGRN-MFOYZWKCSA-N	565.773	7.255	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2C)cc1	409268701	XXBSJAQOWCGNFW-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)c(OCC)c3)CC2=O)cc1	409270714	HKFDJKFBCRSTJX-CISRBEIWSA-N	536.028	5.220	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1OC	409320656	BVAJDBIBHGYAHB-MNBJERMJSA-N	502.998	6.634	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	409328006	YBEKQHWRAZOTLB-ZRGSRPPYSA-N	638.225	5.992	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(I)c1	409371997	DAHZKDZKTZCCMO-WKULSOCRSA-N	554.359	5.935	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1Cl	409372926	SKCHBWIKNILZPR-PPDIBHTLSA-N	589.726	5.751	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)Sc1nc2ccccc2s1	409383813	ITVSNYYAZNZDEZ-KGENOOAVSA-N	529.484	8.448	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)[nH]c2c1	409391024	GYSIOGYJJQATRP-APSNUPSMSA-N	559.247	7.293	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(C)=O	409395673	QMVONSYNMVNGIT-UHFFFAOYSA-N	729.798	8.475	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)cc1	409395692	QSUMFXHSKZBSSS-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409395971	URODTULSNZLUBI-UHFFFAOYSA-N	598.055	6.806	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409396461	YOKLMKSUCIYTLF-UHFFFAOYSA-N	542.422	7.433	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409396797	BIBDKWSEHCFAJU-UHFFFAOYSA-N	617.297	7.343	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397873	OYDHIBIADMVRTI-UHFFFAOYSA-N	596.481	7.288	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409398256	RYXVFPHDTXEULO-UHFFFAOYSA-N	541.991	6.772	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C#N)cccc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409398592	USSDOFYQFDAHEO-UHFFFAOYSA-N	602.603	5.632	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)c1	409398756	VNMVVMNOKIESHM-UHFFFAOYSA-N	516.601	6.192	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5cccc(F)c5)cc4)c3C)o2)cc1	409401656	HYCVLXUHIGBAPA-BOABNOFISA-N	630.720	8.156	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409405695	UQVFIVISGZHMGH-UKFZFBQRSA-N	584.456	6.277	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc3ccccc3c2)cc1Br	1529546675	GMFFFXJSYGCNSJ-BUMGRRTCSA-N	717.642	6.075	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@@H](c1ccc(-c2ccccc2)cc1)c1ccccc1P(c1ccccc1)c1ccccc1	1857795237	XNYUZKXTPNKJPL-AWLITPKASA-N	547.704	7.253	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1	1813424	PXISKTSLGUPAMA-CVKSISIWSA-N	506.429	5.248	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	1877024	PATWPSPWKMEYIC-MUFRIFMGSA-N	558.461	5.798	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccccc2)c(C)c1	2176578	ZVPLXKWIUDQYII-ZCTHSVRISA-N	572.643	5.136	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	2670744	GNTSZAKSSCABFO-CXUHLZMHSA-N	525.373	6.755	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	2807660	KDGCQNWWMCLRKY-SFQUDFHCSA-N	520.916	5.981	50	40	KKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1	3089713	QOBKYPHYKAEBJF-BANFAUBCSA-N	530.628	6.344	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)NNC(=O)Nc3ccc(Cl)c(Cl)c3)nnc2-c2ccc(Cl)cc2)cc1	3193192	KTFIGHSKKJUCHF-UHFFFAOYSA-N	561.882	6.148	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1	6446903	REIQMMPIIMCTFD-VIZOYTHASA-N	578.091	8.038	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)c(Cl)c1	8451173	JUVYOTXFKKPCIA-QHCPKHFHSA-N	555.487	5.946	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1cccc2ccccc12	9019331	OZVSMNIPHMSNME-NDZAJKAJSA-N	518.086	6.889	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c1	18192445	VCBSWEZQPXJQSX-UDWIEESQSA-N	507.384	5.981	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccc(C)cc2)cc1	19956560	KLGSMSSLULTCDS-JFLMPSFJSA-N	520.438	5.046	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58916878	BXUMACQTFPEBHY-VHENUOIUSA-N	520.073	7.079	50	40	KKGB	
O=C(N/N=C\c1cc(Br)cc(I)c1O)C1c2ccccc2Oc2ccccc21	97965316	GRXLBJFWWSDHRK-MYKKPKGFSA-N	549.162	5.147	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1)S(=O)(=O)c1ccccc1	100103074	XFOONGOITIYAPD-GUBAARJWSA-N	624.162	7.387	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)cc1	100241883	XZEBUSHPYWRJHJ-MZFJOGFUSA-N	623.573	5.597	50	40	KKGB	
Cc1cnn([C@@H](CCl)CN(Cc2cccc(C(=O)N3CCCCC3)c2)Cc2cccc(C(=O)N3CCCCC3)c2)c1	101164251	YUPUWUXXOCZEJR-HKBQPEDESA-N	576.185	5.926	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[P@@+](Nc1c(Cl)cccc1Cl)(c1ccccc1)N1CCOCC1	105615965	RDUGJYFSUPRMPE-PGUFJCEWSA-N	526.428	6.039	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](OC(=O)N(CCCl)CCCl)CC[C@]34C)[C@@H]1CC[C@@H]2OP(=O)(O)O	118928896	AZSRKOWMDNSWGA-YKDNGQIQSA-N	540.465	5.792	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@]4(Br)C[C@@H](OC(=O)CCCCCC)CC[C@]4(C)[C@H]3CC[C@]12C	150343469	PZBUHTHCCFTXDY-LTMRRXFRSA-N	658.644	11.169	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	150385245	KMUGRWZTIXPVKQ-FADJLKOXSA-N	641.591	7.016	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	164733418	VLEOGJUXOKJTIM-PXNMLYILSA-N	625.100	7.341	50	40	KKGB	
c1ccc([P+](Cc2cc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc3c2)(c2ccccc2)c2ccccc2)cc1	195530682	YNGDNJWDBJTNIB-UHFFFAOYSA-N	678.796	9.828	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(I)cc3)ccc3ccccc23)c(C)c1	216049017	XVLMPZRPHDUWDZ-OCSSWDANSA-N	548.424	6.333	50	40	KKGB	
COc1cc([C@@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Br)c1OCc1ccccc1	229880598	FWRZQYFLQSUICM-MRCUYLHHSA-N	571.519	6.903	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Br	408538807	BZJNPOBOCQSHTI-GZTJUZNOSA-N	508.210	7.143	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408543071	OQSRPXGVVLMLDI-QRVIBDJDSA-N	527.533	5.545	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(C(=O)O)c1	408544900	YJHWKSFXJIOSKL-ZDLGFXPLSA-N	511.759	5.925	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1ccccc1Cl	408568603	VMNWJPLOEOJHJJ-UVHMKAGCSA-N	562.804	5.761	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	408581647	YJPSEUTUAAJUGA-RQZCQDPDSA-N	537.668	8.451	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1Cl	408589607	MEBSEIMIHXQMDM-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408641382	KETHRKVJYPXUDW-LUKWVAJMSA-N	771.673	7.028	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408663045	YCHXPHJCPHJKQY-JCKQNYJESA-N	828.135	6.993	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408677968	WNMKDJRBKKFISX-FJEPWZHXSA-N	532.855	6.599	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@H](Br)c2ccccc2)cc1)c1ccccc1	408687045	TZFAABYESHOHJR-VPUSJEBWSA-N	528.402	6.483	50	40	KKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCc1ccccc1	408691672	LDSABOWLBGKUOT-MTJSOVHGSA-N	535.385	6.226	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408710721	HNWLISFMAVTJSQ-VFLNYLIXSA-N	545.264	6.840	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2cc(C)cc(C)c2)cc1OC	408719885	OBYMFGWAXWGIHW-FMFFXOCNSA-N	587.698	5.245	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(Br)cc2)cc1-c1cccc2ccccc12	408727703	XCMCVMIBFRUBLZ-UXHLAJHPSA-N	509.407	6.527	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	408745898	WGYXWZWZPOIZQW-IUXPMGMMSA-N	595.118	7.952	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(I)c1OCc1cccc2ccccc12	408757988	FIAZWWBJONFBJX-ATZGPIRCSA-N	617.443	6.109	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccccc1	408761502	GDJIRSOVROKJLT-DEDYPNTBSA-N	524.358	5.815	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408789700	RGLRFHZFAFKPAQ-CXUHLZMHSA-N	547.192	6.789	50	40	KKGB	
N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408793306	DTUHBTHZWGCMLD-XSFVSMFZSA-N	535.341	5.318	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1C	408794135	HYQQHTVLMJVXFC-UDWIEESQSA-N	506.356	6.099	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408794375	SCEDULIYXFBDTF-YBFXNURJSA-N	511.361	5.913	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccccc1C#N	408799018	XXTBRWHSGYEGKG-CVKSISIWSA-N	641.465	6.875	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408827784	MHCIRFOKOILWCM-XDHOZWIPSA-N	586.280	6.744	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408829216	FCUQLMDRFABQTO-ACXHZZMFSA-N	615.495	5.075	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(C(=O)O)cc1	408839392	ROFGURPNKQFPBO-XZYGTATASA-N	606.704	7.302	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408840457	BIPAFVCYIIPVDY-AABVJFSESA-N	667.368	8.206	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408840716	DFJXFPAFZDXELC-UHFFFAOYSA-N	563.260	6.298	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408843613	RJJGMTBERHEZMD-QNKGDIEWSA-N	575.090	5.713	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	408846019	XEXWXDANTIZLTA-RVDKCFQWSA-N	613.876	8.138	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408857855	XAGCBQZIPKAGKB-RQZCQDPDSA-N	564.238	7.418	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)cc1	408858492	SLXRONKHPMCDGF-KQWNVCNZSA-N	590.499	6.287	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1	408863965	RINARKVOCNPQQA-RWPZCVJISA-N	534.465	5.374	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Br)cc1C	408866043	DFEYTCNGUFFSKW-FYJGNVAPSA-N	524.256	6.965	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1cccc(Cl)c1	408866433	GJPCCQZESMJZBA-ALQBTCKLSA-N	683.139	5.589	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408887280	NJGAMLQUBZOKDW-WCMJOSRZSA-N	581.850	6.403	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	408888561	XCWASHZVLNOFDJ-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408890821	ZSXRHMTYPBZQKT-RIYZIHGNSA-N	529.292	6.156	50	40	KKGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408895653	VBYAXNMXQYPRRE-WOJGMQOQSA-N	532.339	6.820	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	408911199	ZDJOEQSSHKZSDR-KIZAIXKYSA-N	633.337	5.607	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2OC)cc1	408924856	OZBJSFQCAPSSNU-OQLLNIDSSA-N	578.386	5.232	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	408937422	JFDKLZMCDRSRGB-VULFUBBASA-N	522.479	5.057	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408953777	MPYCDKWFPYVMIM-OEISHWKDSA-N	671.534	5.310	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1cccc(C(F)(F)F)c1	408962644	IUPAZKKFJALNFB-HIWRWHBISA-N	561.785	7.617	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	408971824	QRIANTGKFZFZSH-VOWJQMTESA-N	522.045	5.287	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1	408973594	UOMIXOCAZXUNBL-MVROMGCPSA-N	601.487	5.929	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)c2ccccc2)cc1	408979642	NONAUEFNDQWISN-SDKVIJGTSA-N	563.123	5.924	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(Br)cc1	408981914	DQMCXTCQDUMMGM-YBFXNURJSA-N	604.726	7.697	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408998378	LRERPISIGLYWKE-RGCHLMQQSA-N	772.876	6.879	50	40	KKGB	
Cc1ccc2c(c1)c(/C=N/NC(=O)CSc1cccc3ccccc13)c(C)n2Cc1ccc(Cl)c(Cl)c1	409031915	BLBSXYVJMNKPDZ-MHDJOFBISA-N	546.523	8.009	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409050146	ZKRQVRXIDQXHOR-XDHOZWIPSA-N	567.383	5.171	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(O)cc1	409085255	RVMPZCXCQYERPG-NTUHNPAUSA-N	627.167	7.182	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1	409122006	WJXOJKOBDCDQAA-ALQBTCKLSA-N	642.561	6.325	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409185508	ZJPAGPYLQBXZQL-AABVJFSESA-N	711.849	7.343	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NC1CCCC1	409192707	ZIKDHGBPNHMWPA-CHHVJCJISA-N	528.661	6.954	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Cl	409214375	SSHOVRLCJHKUEY-KVSWJAHQSA-N	504.826	6.340	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	409219774	QDAYWCJARJFRGP-UHFFFAOYSA-N	685.756	7.109	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)ccc1OC(C)=O	409225948	UEYKLXMQRHZCIB-AMWZCKRWSA-N	701.486	5.926	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)CCc3ccccc3)c3ccccc32)cc1	409227672	ZOKBARCHQSHRDW-GNJAKIJLSA-N	583.688	5.761	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)n1	409232195	OSGVHJJRFWGFPL-NSKAYECMSA-N	676.293	5.263	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1	409252370	SEPFCVANNMOZHF-GXBUFBABSA-N	591.693	6.734	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409254294	WVZHVQRROCSULP-XKZIYDEJSA-N	562.464	6.336	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2)cc1	409265576	VQSFCEKXAUACLF-WQRHYEAKSA-N	599.279	6.092	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409270935	ISMSYOYJVNHSQG-WKIKZPBSSA-N	531.352	5.082	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OCC	409309802	MOZIKZGBINUNTF-RHANQZHGSA-N	507.974	5.085	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1Cl	409312099	JXWPKXNAHFHMTB-APTWKGOFSA-N	545.035	6.669	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)ccc1OCc1ccccc1	409322349	JHKJZPPRDFRCDA-MZFJOGFUSA-N	600.584	6.436	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409323880	QAXAHNSDHYNSFF-LJUMEUDFSA-N	634.898	6.650	50	40	KKGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)=C2C#N)cc1	409335784	YERUXRGGPMYCFY-OAHLLOKOSA-N	511.978	5.791	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409362787	KDXOJQQACBMQNE-CCVNUDIWSA-N	536.253	6.426	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Cl)cc1	409362994	IAMWUYQEFRAZNM-MTJSOVHGSA-N	553.681	8.661	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12	409365204	ZDKQGTKXASFWAK-MNBJERMJSA-N	531.450	6.581	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409371685	JYQLKYVOWFHEJL-PXNMLYILSA-N	507.186	7.547	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccccc1F	409371706	GHYXFUOKFKJARI-VYYCAZPPSA-N	577.350	5.009	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1cccc2ccccc12	409373278	GNPHLLFXJQKJQQ-XKZIYDEJSA-N	571.418	7.281	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccccc1F	409373291	PSIKUJBMCUFFMJ-WCMJOSRZSA-N	551.412	6.492	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1	409384086	AFLSMAKYNRVLSQ-YNFMAFFXSA-N	507.871	5.208	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc(C)n(-c4sc5c(c4C(=O)O)CCCC5)c3C)oc12	409386052	NQDISWQWAMGNAX-KVSWJAHQSA-N	570.465	6.014	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)c1	409394552	CCTPARYMCZFVMV-UHFFFAOYSA-N	741.820	8.022	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)[nH]c12	409395683	QPOXUYXCPPWOHW-UHFFFAOYSA-N	679.796	8.559	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397305	ILVFDAUXRRCULZ-UHFFFAOYSA-N	562.582	6.352	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397407	JNGWHCMTYODPTR-UHFFFAOYSA-N	578.581	6.134	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)[nH]c12	409397806	OGPJLHBIPOJNSQ-UHFFFAOYSA-N	509.518	5.428	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398787	VVBUDNUFDBXJJM-UHFFFAOYSA-N	568.973	6.388	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC#N)c(Br)c3)o2)cc1	409402620	KGJXXCZYIKISOP-BVMLUPFRSA-N	581.854	6.348	50	40	KKGB	
CC(C)(C)P(c1ccccc1[C@@H](CP(c1ccccc1)c1ccccc1)N[S@](=O)C(C)(C)C)C(C)(C)C	1857794980	CKKFSFPWOJTMTK-KWXDVARASA-N	553.733	7.617	50	40	KKGB	
CN([C@@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)C12CC3CC(CC(C3)C1)C2)[S@](=O)C(C)(C)C	1857795024	HSEMHHXXQZSRQO-OKPLWYTRSA-N	675.919	9.528	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc(C(F)(F)F)cc1	2361378	JNJWTCHXLDNAJA-PGGKNCGUSA-N	502.996	5.745	50	40	KKGB	
Cc1ccc([C@@H]2C(C#N)=C(n3cccc3)N(c3ccc(Br)cn3)C3=C2C(=O)CC(C)(C)C3)s1	12462527	UJJPCECTSGSJCM-QHCPKHFHSA-N	519.468	6.655	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1	19949138	LJGJQOKKODWRQT-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
CCCCCN(CC)c1ccc(/N=N/c2sc(C=C(C#N)C#N)c(-c3ccc(OC[C@H]4CO4)cc3)c2C#N)c(C)c1	59608346	DSZKYFQAVNNUCY-MTAUIMSBSA-N	564.715	8.235	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(SC)cc2)cc1	59646619	DHQABZOBBQOZSR-QNKGDIEWSA-N	583.735	6.459	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NN(c2ccccc2)c2ccccc2)C(C)C)cc1	97940058	VHZOJZKBTJOMEJ-GDLZYMKVSA-N	536.632	5.571	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12	100063534	OVIJSFXCYYZEMT-FJEPWZHXSA-N	542.260	7.181	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2ccccc2C)cc1	100123152	YUUXVTODXGAJMS-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(C)cc2)cc1OC	100304168	CAQLSFZCURUFHX-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNC(=O)c1cccc(Cl)c1	101007340	HZYNFTQAXHTGJO-UYRXBGFRSA-N	522.479	5.216	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1nn(Cc2ccc(Cl)cc2)cc1Br	101664062	BXBGAQWFQLLGBI-HCGXMYGOSA-N	591.485	5.342	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	102042832	SOGKXUQGWAKFCZ-BDTPHWOGSA-N	546.580	6.245	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1F	102719446	LZZZFGLTDXPBJO-HHHXNRCGSA-N	546.599	5.680	50	40	KKGB	
CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528544	CAJXWFBOOLRHFV-MRXNPFEDSA-N	620.369	10.375	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528715	GOJUQGOVFNDGMG-NRFANRHFSA-N	640.497	11.690	50	40	KKGB	
Cc1ccc(S(=O)(=O)S[C@H](SCC(=O)c2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)cc1	104124521	MVCWXKQXAMOXOQ-QHCPKHFHSA-N	614.402	6.767	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C\c1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(Cl)c(Cl)c1	104131773	UCNHLOOXGVBIIX-VHUXLRGGSA-N	544.310	7.021	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1cccc(Cl)c1)=N/NC(=O)c1cc(Cl)ccc1O	104316907	SUNYWTVNZMNDGK-WRPYJIPYSA-N	548.434	6.517	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(I)cc1	105586234	TUGXLRWQFWMIHF-MFKUBSTISA-N	520.823	6.391	50	40	KKGB	
CC(=O)[C@H]1[C@@H]([N+](C)(C)CCI)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118922877	OOYJKRZDSBCHSQ-DMRDWKPJSA-N	514.512	5.005	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795469	XURRLFNBZPIMAL-RTBURBONSA-N	756.329	11.621	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	253390192	IVSAOYOKGQGAQG-BQXDSKSISA-N	577.710	5.644	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12	408529346	JGTIGSVBRBUSDY-IURWMYGYSA-N	576.360	5.875	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Br	408536751	AWSSPAAXKHSFAA-PDGQHHTCSA-N	564.274	6.503	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)ccc1OCc1ccccc1	408539994	LNFPMHJMNWERGO-FZPRHHONSA-N	594.451	7.222	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccc2ccccc2c1	408548208	DWOJPDLGMWMGDG-FMCGGJTJSA-N	532.337	6.996	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1ccc2ccccc2c1	408548974	ONGMWCKBGUBLFU-JJFYIABZSA-N	509.230	8.552	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551348	KHDZCSHJCIZOLN-OCUJFKKWSA-N	753.506	9.112	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccccc1F	408569457	NVDKUDHVLKUCOS-IPPBACCNSA-N	547.073	6.074	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1cccc(F)c1	408570554	WSVOZPNSVQCPLL-RWPZCVJISA-N	512.628	5.421	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2Br)cc1	408580879	SGBFRKFTZWEJLI-CAOOACKPSA-N	552.093	8.470	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408598611	FWMKZVXQZAQBPH-NVMNQCDNSA-N	546.748	6.505	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)CC2=O)cc1	408604848	IUWZBJQQCUEDJU-QGZVFWFLSA-N	530.408	5.086	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1OCc1ccccc1Cl	408610414	UEMUBTGWZXVBBZ-QGZVFWFLSA-N	544.833	5.186	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408725969	NPLNXGAWVMPURB-JMIUGGIZSA-N	621.302	7.738	50	40	KKGB	
CCOc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccccc4)(c4ccccc43)[C@@H]2C1=O	408730279	GTECNILOTLIFGO-FKYZWFTPSA-N	541.607	5.052	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1	408742396	QWGGRMFIEQWTEK-GIJQJNRQSA-N	623.274	7.130	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747380	NCKWDGZOVBLNLO-BOPFTXTBSA-N	577.191	6.317	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408754322	MPXQWCFTPGYTFJ-WOJGMQOQSA-N	622.868	5.965	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OC(C)=O	408755463	QFDDSNRFGIIAPY-OKCVXOCRSA-N	608.517	5.999	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OCc1cccc2ccccc12	408763260	OSTHBKWSCZOPGE-HEBRPIARSA-N	685.584	5.794	50	40	KKGB	
Cc1c(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	408776192	NDLNVYDNPMJSSZ-UHFFFAOYSA-N	579.767	5.457	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1	408777905	LMODSKGCDYURSI-UVHMKAGCSA-N	540.856	5.309	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(I)cc1	408795373	VFEVWPGNVAGCOP-UDWIEESQSA-N	617.281	6.886	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408798624	WIFXMUVGQBQPFI-KGENOOAVSA-N	517.379	5.594	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408808547	JHIKEDXRQRVNAZ-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c1Cl	408817612	WQCAULMESZHXLO-JLHYYAGUSA-N	549.208	6.815	50	40	KKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C	408820778	YOPJMOCHJCZVCB-GXBUFBABSA-N	521.064	7.586	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc4ccccc34)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408828605	NEIIMWSCLOAFRG-GXBUFBABSA-N	594.693	5.530	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1cccc(Cl)c1	408832744	IQGIDEHQNCFNMO-AFUMVMLFSA-N	617.927	8.123	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408833945	XNYFPUKWSGXDQP-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccc(Br)cc1	408843039	LIUIHVBWOPSDIB-DPNNOFEESA-N	620.887	6.737	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2Cl)cc1	408843552	MAZSYSPMODQOEN-FABQOPTDSA-N	567.114	8.167	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408844230	OXHNOZLRZNPBQZ-MWBNBJEGSA-N	657.104	7.405	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2ccccc2o1	408847942	OLZWOIAQHMZZBR-FXMZOFOKSA-N	552.639	7.498	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408848178	QCKLTTBIRZNWFA-VXLYETTFSA-N	519.350	7.754	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccc(C)cc1	408856029	ALHNTTGBEUXDIM-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408856387	GQJRHXGLVQYAGO-QNKGDIEWSA-N	632.764	5.170	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408859386	WRJKHXCECULHAY-OXUBWTJQSA-N	572.257	6.765	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	408864772	ZTIVIUFQNADDIA-KVAAJVFYSA-N	748.008	5.961	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2cccc(Cl)c2C)cc1	408874484	CJMJKRYVWGQISS-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408877253	TXTYGNOSRSLIHT-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OCc1cccc(Cl)c1	408889671	IUSNRBJRGQIDQZ-YBFXNURJSA-N	507.930	5.780	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OC(=O)c2ccccc2)c(OC)c1	408891381	PSDZMSHWYIOMMG-LGJNPRDNSA-N	609.214	5.054	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408893724	GZQOYEPKGFZEFD-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(I)cc1	408897128	VYEVMWHISRHKTP-SFQUDFHCSA-N	528.733	5.709	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408897667	SKVVLNOANGYYKV-OQLLNIDSSA-N	586.298	5.454	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1C(=O)O	408897674	ZITIAMFZGHYWKL-LICLKQGHSA-N	650.210	5.719	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(C#N)cc2)ccc2ccccc12	408938696	AAHMVVHKDNREJI-XIFFEERXSA-N	633.730	5.175	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)c(OC)c1	408957811	WFOWTAMNOLREEE-PMFKOOJYSA-N	645.716	5.572	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408964779	SBVQSHVHMIFZBM-VVEOGCPPSA-N	565.342	5.908	50	40	KKGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc21	409017796	VVMVINCQZGBRDP-KIBLKLHPSA-N	594.203	5.082	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)cc2Cl)cc1	409021666	SFEVHCVITQNSIN-FXMZOFOKSA-N	517.752	6.434	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	409033849	MMLBADVNSMIHLG-MUFRIFMGSA-N	549.494	7.177	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1	409068150	FVEASKCJIDOFKK-GIJQJNRQSA-N	558.182	6.461	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCc1ccc(Br)cc1	409076241	AFNJUTNXKCXFTN-BUVRLJJBSA-N	531.450	6.928	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409080179	MJIKZQGYHFAAEQ-RIYZIHGNSA-N	600.269	7.733	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c2cccc(Cl)c2)cc1	409117283	QTGIEBOFHYDGJL-DPNNOFEESA-N	672.985	6.044	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(Cl)c3C)c(OC)c2)cc1	409156350	FIXHJEQEICEOTH-KPGMTVGESA-N	692.938	5.547	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)cc1Cl	409184573	ZBMVKVUCGJORAU-RGMZLYFRSA-N	591.023	5.523	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(F)c4)c(OCC)c3)cc2c1	409186889	JDOAWFKRQSCKKW-MNDYBZJGSA-N	510.949	6.366	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1cccc2ccccc12	409192155	AXZDZJSYFWZQQS-FYJGNVAPSA-N	505.412	6.156	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2I)c1	409214848	ZHUNNGSTINGSPK-GRSHGNNSSA-N	622.200	6.756	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409218703	XOXKJMRZFOVUAA-IUXPMGMMSA-N	559.170	6.671	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c2)cc1OCC	409226756	SLPLYIAOBTXAHE-UHFFFAOYSA-N	541.560	5.312	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409240773	HUWLJSYFITZGJK-YZSQISJMSA-N	555.472	6.846	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1	409252083	SEFAMQMMBKKCDR-NVMNQCDNSA-N	617.725	7.045	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409269563	KFZOQQDDKKDJNZ-APTWKGOFSA-N	561.667	6.644	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1OCC	409313816	QXYGWHMLNRVQJT-QRQIAZFYSA-N	547.029	5.068	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1OC	409316947	NVURZADVPJRQQQ-WGARJPEWSA-N	567.845	5.041	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OC	409323140	NUTDVWZACVCZPL-ZMGVVAQMSA-N	630.923	6.164	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409336318	ROJNEQXOVNWNHA-CPDSRJINSA-N	549.889	6.397	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OC	409364172	NGQHSHYCKNSTHK-QDTIIGTASA-N	552.252	6.045	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	409369918	HODYTFBXNOWPNQ-AEUUOICLSA-N	626.138	7.306	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Br)cc1	409371016	AGBVMGSDNAZUMQ-LICLKQGHSA-N	539.227	6.740	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)[nH]c2c1	409392348	PCDIUJANHPSKJD-YVLHZVERSA-N	552.328	5.727	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)Nc1ccccc1F	409399953	ALTPIOQGIZTLKJ-CVUIAOGPSA-N	782.461	8.110	50	40	KKGB	
COc1ccc([C@H](N[S@](=O)C(C)(C)C)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)cc1	1857795170	QQLMJYVKSJQTCR-MAZBPMTPSA-N	633.794	8.026	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)nnc2-c2ccc(Cl)cc2)cc1	1899460	JGEVXYGWYRGKKC-IPPBACCNSA-N	560.894	6.536	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	2188864	JYJCFRLNZPPLMI-HSZRJFAPSA-N	546.649	5.653	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3C)NC3=C2C(=O)CCC3)cc1	2310759	BYLWOOVUZUIPCI-VWLOTQADSA-N	508.043	5.848	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(F)cccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2343527	FQFBKFGMMAJHRS-WCMJOSRZSA-N	536.076	6.575	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1)c1ccc(Br)cc1)N/N=C/c1cccc(Br)c1	2765427	CZQWVIDYIBMQCJ-AFUMVMLFSA-N	515.205	5.009	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](c2ccc(OC(=O)c3ccco3)cc2)P(=O)(c2ccccc2)c2ccccc2)cc1	3214891	HGZSFWGLLCQUTJ-PMERELPUSA-N	571.591	5.798	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1	12273779	PYYZVHGPAVZYQJ-URHBISMZSA-N	525.630	5.545	50	40	KKGB	
CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O	16741524	YXGDSJAEZRLOFM-ZWXNIRCYSA-N	506.606	5.564	50	40	KKGB	
O=C(COc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	33353403	DTUHHJQAQMXIBH-KCSSXMTESA-N	551.426	6.440	50	40	KKGB	
C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O	43215342	JCIYFFNGTHMEDE-SPYKZWBVSA-N	529.888	6.298	50	40	KKGB	biogenic,in-vitro
COc1ccc(N2C(=O)/C(=C/NNC(=O)c3sc4ccccc4c3Cl)c3ccccc3C2=O)cc1OC	53388853	ZSOBSZXOSPVMLO-XMHGGMMESA-N	533.993	5.034	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	58916827	ZTYYWZNMPWFCCL-ZOLINOHKSA-N	502.083	6.940	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CCC3)cc1COc1ccc(Cl)cc1Cl	97959816	REFCLWXXGCWFAC-NDEPHWFRSA-N	591.451	6.794	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12	97962939	UOPXKJKCNAPMAR-LEBNXVFPSA-N	534.656	7.009	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1cc2cc(Br)ccc2o1	97964116	DDNKNPSPVRGSMI-FJEPWZHXSA-N	578.260	7.454	50	40	KKGB	
COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	97965796	RFUXNRXFRZVBPG-CXUHLZMHSA-N	547.435	7.229	50	40	KKGB	
CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)N/N=C\c2ccc(I)o2)c(Br)c1	97966258	SSWQCMRWSYUVTB-MRUKODCESA-N	640.154	6.652	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccccc1Cl	100041917	QCSBECHSQKGEJP-QDTIIGTASA-N	566.235	5.903	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2C)c1	100100459	YKOUPDMOQVCWAS-LUOAPIJWSA-N	523.258	6.309	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F	100127154	RLYTUQNROLMEJO-OCSSWDANSA-N	539.032	5.232	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	100135476	ZUEATAOSHMGLQV-CPNJWEJPSA-N	572.371	6.284	50	40	KKGB	
Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)S(=O)(=O)c1ccc(Br)cc1	100929454	VFZYLCGSNQEUPS-XSFVSMFZSA-N	536.407	5.205	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	101554877	OEZNSCIIVVTQBR-GDLZYMKVSA-N	572.130	7.077	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1I	101621220	JELNUKNCMKGBBP-ZSOIEALJSA-N	558.157	5.149	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccccc1Cl	101736924	SDEPWDWMQFUGQA-UHBFCERESA-N	533.968	6.465	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)sc2c1CCCC2	101757148	UFXRSNSRYOWSMR-UCMJSZAQSA-N	555.700	5.597	50	40	KKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)c1	102523885	IFDNJCUGTIPSBF-WJOKGBTCSA-N	549.696	7.524	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N=C2CCCC(O)=C21	102873512	NOEDJZQEXRAUJX-RUZDIDTESA-N	508.043	6.688	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCc1cccc2ccccc12	103857931	XMRCFGFCFAAYGK-JFLMPSFJSA-N	556.425	6.248	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	103883778	QWPVIWRJAWCVSS-HFTWOUSFSA-N	551.090	6.582	50	40	KKGB	
CC[C@@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1	150390728	IUIQQIGYMOYIRI-YDJQKXNPSA-N	636.572	6.217	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	408539582	XSWDEPICACHWSZ-ONUIUJJFSA-N	539.031	7.361	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408540743	BHZNJALLUCPFKG-IUXPMGMMSA-N	529.749	6.064	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(Br)cc1	408543732	SOHVAGWMZJCIIF-GRSHGNNSSA-N	590.211	6.404	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1cccc(C)c1	408544412	SVQSXOGHIHGDCC-JMIUGGIZSA-N	568.367	5.431	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12	408544506	UKBLUIORXWOUAO-KALUYTGESA-N	575.213	5.035	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1	408553345	OCMCQTTTXAMWRK-CXUHLZMHSA-N	581.091	7.600	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)c(C)c1	408566737	BARLSNZRGJKTHX-RWPZCVJISA-N	523.680	5.197	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408640278	HTZPYLOTVBFPQI-XKWBKWALSA-N	553.845	5.791	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408688716	WZGUJGVPYYATGV-JNYDFHNISA-N	635.567	5.982	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1ccc(Br)cc1	408710545	FEKNWAYBDQXKER-CCVNUDIWSA-N	547.833	5.861	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Cl)cc1	408725524	LCSLJZTVFJPEES-LIFJFEPXSA-N	519.867	6.357	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408745057	PCGXERWWIQPIGJ-IUXPMGMMSA-N	550.667	7.842	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl	408766140	PFPSPPYCAOXOSH-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1	408778061	PRXUPFVDVJFKIE-WPWMEQJKSA-N	520.438	5.046	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N	408782666	IJRHLCZGNCUXPD-FDSVDMIPSA-N	552.900	6.267	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1	408790035	MLGBIAHHUAYYDZ-XDHOZWIPSA-N	511.803	6.626	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1	408792521	KMOOWYVLKXSDBE-VCHYOVAHSA-N	743.133	6.570	50	40	KKGB	
COc1c(I)cc(I)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408792656	BTVGZHCFNFFYSX-ONNFQVAWSA-N	598.993	5.757	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408795654	MBRPPLGQGKQMLI-VXLYETTFSA-N	566.364	5.579	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408798249	VICRSAJPEYQWBT-GIJQJNRQSA-N	541.785	5.934	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)c1	408798581	WAWOITFLKRCHQS-ZMOGYAJESA-N	637.315	7.948	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408798586	VVUBOWRLMIVXBL-RGVLZGJSSA-N	536.382	6.107	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798625	WJZPTOCLJGVFJV-WGOQTCKBSA-N	519.988	6.915	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(C)c(C)c1	408802830	HZPXWWUMOUZZIQ-SRZZPIQSSA-N	586.857	7.085	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCc1ccc(C)cc1	408822914	CNPPVLKHHJRCJP-CIAFOILYSA-N	506.986	6.189	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2ccccc2Cl)cc1	408824803	AAIKFDXPTNSBER-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1	408839547	AKTPVACIROOWEP-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	408841752	KTSDXGGYQZQHCS-JJKQSNDFSA-N	633.446	6.638	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)c(Br)cc1OCc1ccc(Br)cc1	408858939	UQRFWTLTELIVPW-CIAFOILYSA-N	584.308	7.352	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2cc(C)ccc2C)cc1	408873749	WQUNEIGQZBBCAK-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1ccc(C)c(C)c1	408874807	BBJRKLCKDFGLAB-ZVHZXABRSA-N	580.466	6.994	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2O)cc(I)c1OCc1ccc(Cl)cc1	408878067	ZICNYVZSPFEYHO-ROTLSHHCSA-N	536.753	5.002	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl	408891651	UHUYGRCSMJFPHF-VCHYOVAHSA-N	512.349	6.343	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccccc1F	408904281	HLBLIQZDFZFVCD-QDTIIGTASA-N	556.344	5.984	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922186	DUSVUMQLPPNCKQ-UDWIEESQSA-N	554.024	5.237	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(OC)c1	408922904	HLQXBBZKSPILDM-GYBFYTFOSA-N	664.546	5.725	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408940589	CPBNRKZMXJCARQ-HHHXNRCGSA-N	832.342	6.825	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	408974094	XEHZVCURHXUUEQ-DSIIPFKSSA-N	713.456	7.297	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1Cl	408988943	SFQBPRBNPHAKFU-ZDLGFXPLSA-N	607.673	7.140	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993090	CGMKGTHRKCKRSK-ZDLGFXPLSA-N	639.171	8.269	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4F)c3C)cc2)S(C)(=O)=O)cc1	409025029	PNGNTFKERKKKCE-FDAWAROLSA-N	532.641	5.272	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(Br)c(C)c3)c(OC)c2)cc1	409159480	MQQBNWJJHBHVLT-IBBHUPRXSA-N	676.362	5.424	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)c2ccc(C)cc2)cc1Br	409184619	HLNHKMWCSUOKQG-MWAVMZGNSA-N	586.552	5.821	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)ccc1OC(=O)c1ccc(OC)cc1	409217590	DNGHVUJQCRDPPL-UHFFFAOYSA-N	625.634	5.263	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409224288	JTGFBKTZOOIRHO-UHFFFAOYSA-N	552.543	5.147	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409254644	IIDAUMJLOOSPQD-YDZHTSKRSA-N	518.013	5.596	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl	409259637	BUDNUZNBAHWPDP-OQLLNIDSSA-N	535.214	6.863	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)c1	409265599	NADZMRVONROULW-NVMNQCDNSA-N	617.725	7.045	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(C)c(Cl)c5)c(Cl)c4)cc3)cs2)cc1	409268950	BTSGEGHCMVHZGD-RODHXAHZSA-N	644.584	8.259	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2F)ccc1OCc1ccccc1	409313072	AZAGKEQSEFCZOV-OHUYPAJKSA-N	532.999	6.800	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OC	409313431	PWKZAXDRUUFQNW-MBTHVWNTSA-N	567.447	5.331	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1	409320113	PBSLYZVUDYFIMW-GOTSBHOMSA-N	537.435	5.282	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OCC	409321252	SGSHMWBDRRZNRR-MBTHVWNTSA-N	611.898	5.440	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC	409322629	LAZCEJVXKJWBHV-FDVSRXAVSA-N	592.405	5.579	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)cc1OC	409325469	YWZPEXBEAQSHGB-WGARJPEWSA-N	612.296	5.151	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)ccc1OCc1ccccc1	409328135	ZOMXHCHOTCLBKP-FZPRHHONSA-N	683.353	7.440	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409390529	DXGFOUREMJHFDQ-XAZZYMPDSA-N	695.726	6.844	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(c1ccccc1)c1ccccc1	409391633	KIHZCCKYAPZWQW-JVWAILMASA-N	504.340	5.900	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396117	BPSYVYQBTPCXAW-UHFFFAOYSA-N	674.890	9.196	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(CC)cccc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396318	LCSLNFGBQVRJFT-UHFFFAOYSA-N	654.163	8.230	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397699	MYTOTBHQCQKJIS-UHFFFAOYSA-N	570.020	7.318	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397908	PJNFWQZXSORNQO-UHFFFAOYSA-N	552.030	7.179	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409398193	RQVOYYPIWCMZOC-UHFFFAOYSA-N	552.030	7.097	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409398887	WETCLQXJURTVCF-UHFFFAOYSA-N	568.029	6.797	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4cccc(F)c4)c(Br)c3)o2)cc1	409402661	KLTSETBFSMEUFA-ADJDCTSUSA-N	693.957	7.603	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3)o2)cc1	409403956	OTZFDHUJVRXNAJ-FZKWRIDDSA-N	607.623	5.956	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409404177	PDFXJDCMTUOULN-CNCDYAKUSA-N	673.358	6.497	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1	1529548617	KAJGZWLQRXTIAW-YMEQDBNJSA-N	726.606	5.220	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccco2)cc1)S(=O)(=O)c1ccccc1	853137	LYKWCQWEIILECV-OGLMXYFKSA-N	507.999	5.401	50	40	KKGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(Cl)cc1Cl	2098391	MJIVAZHVGWLXOR-BYEGDDEQSA-N	503.459	5.322	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(F)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	2218382	GHLFIRKVDTVYGZ-CCVNUDIWSA-N	506.628	5.016	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)c1cc2cc(Br)ccc2o1	2741969	GQHRMKOVUJJMGQ-FJEPWZHXSA-N	578.260	7.454	50	40	KKGB	
CCOc1ccc([C@@H]2[C@@H](C(=C(C#N)C#N)C3CC3)[C@@H]3c4ccccc4C=CN3[C@@H]2C(=O)c2ccccc2)c(OCC)c1	3177763	XCYIDOKEMFZAQO-WDKGQIBQSA-N	555.678	7.230	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1	6146534	DSSRWSKFLIVVTL-OCSSWDANSA-N	560.632	5.244	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Br)cc1)N2	6445832	LNVPUJUQFGAFCB-RNBKDOAQSA-N	559.869	7.094	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	12250243	HQEMVYVYLGSHFG-JOCHJYFZSA-N	505.949	6.016	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	19939602	BTNGJSWBONNKNF-VWLOTQADSA-N	500.649	5.763	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccc(OCC)cc1	20100180	AQZRZFNLGLSWLJ-VWLOTQADSA-N	524.042	5.536	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccc(Cl)cc3)c2C)cc1C	20243677	CNHDRQXGXFQOAR-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C	28217129	QSFCYGYHCGRIDE-KXYWZDDBSA-N	522.674	5.941	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1cccc(Cl)c1Cl	28217176	WDLJWKGFYBNUJI-IBBHUPRXSA-N	520.485	7.354	50	40	KKGB	
COc1ccc(CCCc2nnc(SCC(=O)N/N=C/c3ccc(OCc4ccccc4C#N)cc3)o2)cc1C	35999776	UALYAOFKXOCFFC-KCSSXMTESA-N	555.660	5.255	50	40	KKGB	
CCCCCCc1ccc(OCCOc2c(Br)cc(/C=N/NC(=O)c3ccncc3)cc2OCC)cc1	97959007	WARCENGKOASUFS-RUMWWMSVSA-N	568.512	6.587	50	40	KKGB	
C/C(=N/NC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccccc1	97970390	FDQXXZGHNVGFBG-PNZDGZDRSA-N	583.476	5.804	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999750	DUQWTKOBPSIJKZ-JGCGQSQUSA-N	595.721	6.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccc(Cl)cc1Cl	100534884	NPKBONHYEXNSRP-KVAAJVFYSA-N	574.464	6.590	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl	101273321	NCZKHTAWYUTKES-HSZRJFAPSA-N	548.879	6.444	50	40	KKGB	
CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341267	DIMKIDRYDPORJT-LURJTMIESA-N	930.162	12.192	50	40	KKGB	
Cl[C@H]1COc2cc(Br)c(Br)cc2OC[C@H](Cl)S[C@H](Cl)COc2cc(Br)c(Br)cc2OC[C@H](Cl)S1	150341653	CODOBWGRZBMPCE-WTGUMLROSA-N	845.906	9.692	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	150385594	DVLPIZBTQGOUBY-AABVJFSESA-N	667.935	6.874	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408538396	MFRRCBNMBOJKGS-TURZUDJPSA-N	548.639	7.188	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)ccc1OCc1ccccc1	408539677	XZEYKSWAMFMNOQ-GQWFFFTNSA-N	744.100	10.444	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1C(F)(F)F)Nc1ccc(Cl)c(Cl)c1	408551087	AXZLTEYIBUXPLV-OHUIHDMLSA-N	544.744	6.447	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551157	LPLIJPRRCLVCRZ-WOJGMQOQSA-N	583.426	6.367	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408580791	DYIYAGCJPZRMTG-VXLYETTFSA-N	533.249	7.806	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408582041	LIXUCOQPUMLVDO-CIAFOILYSA-N	508.368	6.198	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccccc1Cl	408589056	KMMLJNKTGCEYPW-IPPBACCNSA-N	666.684	7.045	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408638962	DTUFYPVEADVNRU-UCDDGIFISA-N	702.783	5.721	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)ccc1OCc1cccc(Cl)c1	408726904	NRGAJSAHWNIBLV-BIZUNTBRSA-N	578.090	5.658	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1	408744824	HNUBVEIHXDIQNR-UNOMPAQXSA-N	522.355	5.881	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408745733	VFZXQAAGSZOYJW-UCQKPKSFSA-N	561.863	7.779	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)ccc1I	408746179	BZNNHJXCXAQYEV-LUOAPIJWSA-N	756.091	5.991	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747931	VWGWJTGFDAFJDU-BOPFTXTBSA-N	577.191	6.317	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408758529	LVWQZSICPAZGHY-UUASQNMZSA-N	659.987	8.406	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc2ccccc2c1	408764619	SAVMDXRWDPROFV-QRVIBDJDSA-N	606.314	7.888	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCC	408788446	DASYDRFMNZVQOE-KGENOOAVSA-N	568.411	6.213	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c(C)c1	408789361	PEHCLJVXDSFLOE-KEBDBYFISA-N	631.264	6.493	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1I	408790363	VVGKRBWHLINSRJ-MHWRWJLKSA-N	535.179	5.174	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(I)c2)cc1	408791816	CXALVJYPKYWSNP-HYARGMPZSA-N	522.386	6.287	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408793927	GRLLWIFEJKLUDJ-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	408794377	IXIFZEJEUHJSIL-YBFXNURJSA-N	712.709	6.851	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1I	408795034	KWUJWDPCCIMQJI-OQLLNIDSSA-N	525.184	5.560	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OC(C)C	408797865	HDMKKTRBBXQVQY-VIZOYTHASA-N	510.759	5.595	50	40	KKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c2ccccc21	408807060	BWDADAOZOUHHLD-UALJVPOBSA-N	594.675	6.030	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408820340	VQRSVTDKXGYUCC-VYYCAZPPSA-N	585.354	5.687	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408821864	KYVHNJLEUXMXEM-LPYMAVHISA-N	642.764	9.113	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408823110	DRHSVYTXQIPFPF-WPWMEQJKSA-N	623.536	9.167	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(OC)cc1Cl	408823471	DLPQGKFAZSVDJV-FRKPEAEDSA-N	596.692	7.551	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1	408826593	HLEOOIZNEMTDID-FJEPWZHXSA-N	576.889	6.561	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)cc2Cl)cc1	408831542	QYONKATVJLULSM-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)o2)cc1	408835431	WXYIUPKUEIZUAQ-STZFKDTASA-N	614.938	7.485	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408841246	DTWKZXZULNKVEM-MHDJOFBISA-N	677.920	7.461	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)c1	408844263	VMPINOLHZVCPJO-HMAPJEAMSA-N	610.519	6.840	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)cc1	408844355	NPWTYJUCCVTIOM-MSEDBIDCSA-N	647.323	6.847	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408844393	OHLVNSFTNVSLSP-AMVVHIIESA-N	693.792	7.903	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(C)cc5)c4C)cc3)cs2)cc1	408845152	PBCVYDNLKZWRET-KCSSXMTESA-N	519.674	7.342	50	40	KKGB	
Cc1c(Br)c(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1ccc(Br)cc1	408846711	ROZWGAZWNNUIKH-MSUGVKDGSA-N	564.285	5.827	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)/C=C/c1ccccc1	408849478	ZBCBJUZOSSQHHA-FUAVBRFPSA-N	612.480	6.483	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)OCC	408849505	WJDVHFBMVZSZME-ZRGSRPPYSA-N	564.230	5.392	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408851017	UNPFQOIXYILFSC-ZXSNDDASSA-N	507.678	7.517	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c2cc(C)cc(C)c2)cc1OC	408868940	OKHJPLVYVYDIDH-GOJREDGKSA-N	649.169	5.962	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1	408872318	CYPXFDHFFOBORN-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OCc1ccc(C)cc1	408886199	FDSYDROQUYKRNN-LGJNPRDNSA-N	534.781	5.605	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408889002	ANUSHAQIIIWZKO-RPPGKUMJSA-N	669.282	5.858	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408890981	JNRFDGWVEJUPIG-LICLKQGHSA-N	620.865	6.031	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OCc1ccc(Cl)cc1	408892355	AQSOCXONVMQVOL-KKMKTNMSSA-N	623.925	6.384	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)c(Br)c1	408893268	DLGAJXCTOGJMBR-LDADJPATSA-N	560.673	7.298	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1	408894841	JFZJQJYYIDGYOT-MKMNVTDBSA-N	524.191	7.162	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1Cl	408901045	ZMYLHBURMSTLNA-FRKPEAEDSA-N	625.690	7.841	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(OC)c1	408943126	HBBSAYLMFIMZAM-XIFFEERXSA-N	638.746	5.312	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)c(OC)c1	408951299	ILAAGFDWANMMKW-UIGQDENISA-N	854.436	5.212	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1F	408954102	YMCMOCHJTIJZLO-MUUNZHRXSA-N	655.546	5.052	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(I)cc2)c(Br)c1	408954691	ZMOZMVICXPJTHT-MUUNZHRXSA-N	763.452	5.518	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccccc1C#N	408962966	WLZDXMVNZOIZNC-IPPBACCNSA-N	610.364	5.559	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCC#N)c(I)c1	408982483	HHXADLBHECZLAH-QPEQYQDCSA-N	556.585	5.464	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408992001	PTGCXUSSPCYWMY-SRZQLFIISA-N	684.583	6.871	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc(Cl)cc1	409000168	XJOFXLYWFXLVMC-WKULSOCRSA-N	566.795	5.931	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409006136	MMCQRYOJXAPDQC-RJJFLPMKSA-N	593.850	7.249	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1ccccc1	409014387	PIXXCFPTRGXKOR-KVSWJAHQSA-N	684.122	6.914	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409028540	OMDLWRMCXOZMHN-HNSNBQBZSA-N	669.598	5.618	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409042501	XUAFEWJYXDEMDI-DPNNOFEESA-N	703.449	7.278	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409048643	UAECKSSSWGBYCR-LZYBPNLTSA-N	602.195	6.153	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1	409067273	PZRUBZMUFKPKST-LFIBNONCSA-N	533.389	5.324	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409091245	OSZPWVCZMRXIAW-RIYZIHGNSA-N	578.297	6.428	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1Cl	409125894	AITQPICUAUTLID-HSZRJFAPSA-N	542.861	5.810	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Br)cc1	409126852	PLZXJUYAFXWGMF-XMMPIXPASA-N	508.416	5.157	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccccc1Cl	409135589	ZGDVUWBCBBUPBM-QHCPKHFHSA-N	513.775	5.614	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1	409135645	RNYZEZUFGQISGQ-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)cc2c1	409186518	DECGTHLCSVLBGV-QDTIIGTASA-N	528.348	6.389	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409209771	IMLBHDFVHMHFOG-XODNFHPESA-N	623.900	5.522	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	409219978	SGRQFVDHRLMUJN-QGOAFFKASA-N	554.828	6.064	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409221993	AOZAYBYQDNCWHI-FXMZOFOKSA-N	544.635	6.820	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409223316	GWSPEKULLNVTKU-UHFFFAOYSA-N	541.947	5.304	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1	409235669	CTLSHHNLZFYEBS-VBNMEBLOSA-N	513.794	6.605	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1I	409240148	ROVMXNQMQNRHJM-XGHPXPSOSA-N	584.195	5.245	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc(F)c1	409247802	NZIIEMJIKHGEIB-MFOYZWKCSA-N	549.318	6.740	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	409257739	PXJWDQUIUAEJNR-YVLHZVERSA-N	603.698	6.737	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409262766	JXQJUFFGGWVWLC-UDWIEESQSA-N	611.436	5.576	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)ccc1OCc1ccccc1	409314015	DQBWLLBTHQZUEW-DLCNMLRHSA-N	567.444	7.453	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1OCC	409322530	LSHCECHMLJHYDI-FDVSRXAVSA-N	545.405	5.737	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OCC	409323270	NBSHHOHJNJUIPP-QRQIAZFYSA-N	529.014	5.144	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1OCC	409324768	UZCYUYKLXCQHAC-APTWKGOFSA-N	547.051	7.032	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(I)c1OCc1cccc2ccccc12	409366707	XOQJEWQSUNIEOB-CAQPMQTCSA-N	622.459	5.886	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccc(Cl)cc2Cl)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409370031	JTHKMBBGOGMHTP-NUJZUDFISA-N	532.493	5.568	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2Br)c1	409385127	HZXFPWULHFILLS-KKMKTNMSSA-N	603.292	6.986	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409394511	BHRDHIKTRSJFQA-UHFFFAOYSA-N	679.796	8.613	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396235	HUKKEWCBNQDGEL-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)cc1OCC	409397179	HDYIMUHMALHDMY-UHFFFAOYSA-N	660.952	8.031	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397536	KYXBFBMKHWBNOL-UHFFFAOYSA-N	552.030	7.097	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC(C)(C)C	409400416	CWUYLYFJRDJTHH-UHFFFAOYSA-N	594.506	6.978	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OC(C)=O	409407094	YWAFJBRVFBRJGP-CAQPMQTCSA-N	541.604	5.692	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCc1ccc(Cl)cc1	1529549398	XSJQONWYMIFHSX-CKRMDNAKSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3c(F)cccc3Cl)cc2)sc2c1CCCC2	1785605	QTLPUELDYGHTHD-QUQJVCFCSA-N	572.058	5.766	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(Cl)c(Cl)c1	1819408	UURDOJSCUPBQAF-OPEKNORGSA-N	519.504	6.533	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1	2244515	JTJWCCRGXXZMTF-GFPZRUSRSA-N	508.430	6.367	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OCc1ccc(Cl)cc1	2370286	KOUYCQYQJGGBQB-DEOSSOPVSA-N	500.938	5.642	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1	2888376	BOJJXJKDJRPQMI-NLTRVXJZSA-N	566.908	5.888	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)ccc1OCc1ccccc1	3275118	ZQOQJMKALVOSMC-QXUDOOCXSA-N	577.662	5.900	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C2CCCC3=O)sc2c1CCCCC2	3666729	MCXPXHCACAGKDD-HSZRJFAPSA-N	532.622	5.407	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)n2)cc1OC	3765684	XNAMKRNZKHBKRH-XAZZYMPDSA-N	551.550	5.949	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	4062832	OOUPLOQCEIAECF-FABQOPTDSA-N	576.751	7.537	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1	6177844	CEUJZCSUDRULNX-YEFXCMPDSA-N	508.647	5.632	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccc(Br)cc1	32576877	LXIQXLGJNSGCOX-ZMFRSBBQSA-N	513.848	5.743	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)OC(N)=C(C#N)[C@]12C(=O)Nc1ccccc12	33354865	DSQQYBGJACYFSH-DHUJRADRSA-N	611.683	5.811	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	33389106	SILIGEBBYMHKGP-BOPFTXTBSA-N	512.747	6.092	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(C)cc1	59333222	LHWMAVQFIFHCAS-UQQQWYQISA-N	516.041	5.882	50	40	KKGB	
N#CC(C#N)=C1c2cc([N+](=O)[O-])cc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]	95676420	LRTWGQBWFVQWFQ-UHFFFAOYSA-N	621.309	5.568	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	98000242	SICBCKKZWDSBCH-HSZRJFAPSA-N	566.894	5.904	50	40	KKGB	
c1ccc(-c2c(SSc3c(-c4ccccn4)c(-c4ccccn4)n4ccccc34)c3ccccn3c2-c2ccccn2)nc1	98045688	RGKCLKWWOVJMIL-UHFFFAOYSA-N	604.764	9.239	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	100232855	XRSPNUUGLYSNRO-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1	100990852	PNOXTDLJGQAWLT-AZJLSSPBSA-N	531.943	5.694	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N=C2CCCC(O)=C21	102539496	STWIAQGWDUCORA-RUZDIDTESA-N	508.043	6.688	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3cccc(C)c3)=C(C)N2)c(OC)c1	102808195	FQTITDNDLIDBPH-HHHXNRCGSA-N	544.633	5.312	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	102810124	KFNBUVLKXRPVPP-MUUNZHRXSA-N	561.082	6.803	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	103742189	ZEHCMHPRDWGWQS-CKVBZJJFSA-N	539.400	5.967	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	103883811	NRTURGSXIGSUHZ-HFTWOUSFSA-N	595.541	6.691	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(F)c1	103884046	KATSWHBYDQMZDT-HAHDFKILSA-N	564.455	5.822	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	103894782	COJRKLSWMCVIGB-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
O=C(CCCC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1)N/N=C\c1ccc(OCc2ccccc2)cc1	104081287	ZNVNXWDBHROORP-HSZPEWSQSA-N	548.643	5.615	50	40	KKGB	
CC(C)c1ccc(/C=N\c2ccc(SSc3ccc(/N=C\c4ccc(C(C)C)cc4)cc3)cc2)cc1	104313875	IYISWYGRVKWAAR-YWQXDYITSA-N	508.756	10.234	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1C	105140247	WAPYUHRXLQYPIK-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)N1	150406768	GHMYRLZUAPGYTH-LJAQVGFWSA-N	686.643	6.468	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(C(=O)O)cc1	408542473	JQWXGHRNNPHJOU-UUYOSTAYSA-N	563.245	7.706	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C#N)c1C	408545994	BRGDZDAIJOFIKG-VXLYETTFSA-N	539.440	6.709	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408550253	FGBOILLGUBZGFF-CFRMEGHHSA-N	527.418	7.001	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408566746	BAXWTKJOQJYTOL-APSNUPSMSA-N	561.238	7.813	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OC)c1OCc1ccc(Br)cc1	408569141	ZCCBKMDFWIITLV-NDENLUEZSA-N	518.386	6.845	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408569483	OFHHQQJZVAWJBQ-IPPBACCNSA-N	607.979	6.698	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408641384	KETHRKVJYPXUDW-ZCQNZVIGSA-N	771.673	7.028	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408646707	UEGBVXUMWZVMQQ-ZRNYENFQSA-N	743.257	6.436	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(C)cc1	408677751	UPJHXQFDCVYTRW-STBIYBPSSA-N	569.443	5.551	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(C)cc2)cc1OC	408728199	WKFDZNSDKGLAQF-WCMJOSRZSA-N	602.496	5.925	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCc1ccc(Br)cc1	408742366	ADUVGNKRMNQODQ-HAHDFKILSA-N	517.423	6.619	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(I)c2)c1	408744871	HVWSCMAFORSIHV-UNOMPAQXSA-N	603.254	6.577	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1	408760571	AZDMMMQCXPCBJS-KOEQRZSOSA-N	506.558	6.150	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)C(C)C)cc1	408761335	IOXJNVFNGPDVTM-IKOBEORISA-N	529.662	5.180	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1	408762398	ONXGHMTTXOSXMG-LICLKQGHSA-N	579.221	6.731	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408764331	MHOADICXBNZSDD-YBEGLDIGSA-N	500.769	6.210	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccccc1	408787986	HYXCEIYRZIRSSX-YZSQISJMSA-N	630.482	7.394	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408790228	NZQUTXOAWKAZEC-WGOQTCKBSA-N	564.439	7.024	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC	408794111	HXDRGPJXDXDYLM-RIYZIHGNSA-N	543.188	6.107	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(I)cc2)cc1C	408794283	IOFDTFDOMNWLHW-KGENOOAVSA-N	508.359	6.033	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1	408795236	UWEGYYAQIFVOJY-VXLYETTFSA-N	513.352	6.434	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(Cl)c1	408806592	FQQDACJVBYOIBI-SRZZPIQSSA-N	539.857	7.243	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cccc(Cl)c1	408809967	OPNJSESAYYSDGI-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408815819	VCNLJAYBIDNDMY-OHUIHDMLSA-N	644.276	5.093	50	40	KKGB	
CC/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1	408829340	PCZXWJOLMABEIH-QVAGMWBUSA-N	557.672	5.643	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(C)c(C)c2)cc1	408829571	PTPFZBSLXJCFEI-HPNXWYHWSA-N	591.733	6.690	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc(Br)c1OCc1ccccc1Cl	408832200	XDRWPZHCGRIQEK-VFLNYLIXSA-N	561.929	6.690	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(OC)cc1Cl	408836270	ZWVJKXQEVYEARD-LICLKQGHSA-N	517.796	6.789	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(C(C)(C)C)cc5)c4C)cc3)cs2)cc1	408838952	KQXQLVGMRZWKIT-JEPNHJGPSA-N	561.755	8.331	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408855707	GSIIRLHUXAVWMZ-XODNFHPESA-N	596.703	6.372	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)cc1	408856592	JEZHNKJYLGKFAZ-WKIKZPBSSA-N	513.775	6.200	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)Nc1ccc(F)cc1	408862979	OAJDBJDSGPGDGC-PLRCZUKZSA-N	582.657	5.381	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408873031	LZOKKOBKEFYFBT-LICLKQGHSA-N	504.186	7.031	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Br)c2)cc1	408873911	XCNHLYWPBAKXCA-FYJGNVAPSA-N	523.814	6.416	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1Cc1cc(C)cc(C)c1	408878083	ZMILPDHNUNOHNE-ZMOGYAJESA-N	517.467	7.218	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1Br	408881254	KMFWDCWGFPLDHJ-VCHYOVAHSA-N	637.699	7.230	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408885682	DUBNZWRLIGQJPV-JJKQSNDFSA-N	664.460	6.857	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(Cl)cc1	408887396	NUVYALIXPDLSJZ-XDHOZWIPSA-N	558.803	6.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	408887547	RLZAANINIYGWIB-CPNJWEJPSA-N	541.423	5.470	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408888559	XCDJKJWDVJJRAK-FRKPEAEDSA-N	581.239	7.732	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccccc1	408898967	YSPODAZKLKKZPF-MHWRWJLKSA-N	596.286	6.468	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408919623	ZHYXNIICGOPUSQ-SSUFFIQFSA-N	516.392	5.221	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922941	HSCZZIMGKWIYHW-VIZOYTHASA-N	639.857	5.835	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F	408923834	KMWNLVZILCYBEC-YBFXNURJSA-N	554.372	6.328	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12	408945383	KOUHUIOVRJJYAV-JGCGQSQUSA-N	687.616	6.066	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408964878	IFBFOCLACRZZRN-AMVVHIIESA-N	623.257	7.362	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2c(Cl)cc(/C=N/NC(=O)c3ccccc3)cc2OCC)cc1	408971252	HWGXFPFGXCFYIG-WEMUVCOSSA-N	539.072	6.920	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccccc3F)cc2I)cc1	408997015	FYWJIOGXBAPQIF-KBKYJPHKSA-N	644.178	5.076	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC	409019969	YJSLFXWNZSDTFN-WQABDCJVSA-N	627.363	5.617	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409026707	VSIUXZHCKHROHA-RUMWWMSVSA-N	561.063	5.328	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409048069	QYURDDFICCTRNU-VFLNYLIXSA-N	642.719	6.247	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12	409049320	ZBHBYPRGWMLTAL-KVAAJVFYSA-N	560.868	8.205	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409055057	HXTKXHCLCUXIDF-VCHYOVAHSA-N	514.173	6.763	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)cc1	409141785	WSNRRYWIUZNQJX-JOCHJYFZSA-N	576.818	5.737	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1	409165277	VSPBOBTUJLRYGW-VVEOGCPPSA-N	685.302	5.112	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409188079	WUAWVDPBBFVBLU-BCHBDCPOSA-N	675.997	6.845	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)NC1CCCC1	409191691	KVALWDGICZWVOL-NVMNQCDNSA-N	623.232	5.312	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1	409218753	GURPEQAAFYNBMM-LFIBNONCSA-N	528.765	5.805	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4cc(Cl)ccc4C)C(=O)[C@@H]23)c1	409219384	MGXAQZATZCWPCD-ODJKJDCKSA-N	576.052	5.624	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c2)cc(OC)c1OC	409222128	ABLQKPZQRJYBPQ-UHFFFAOYSA-N	755.372	6.202	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1	409223857	GBFWBSOCSVORER-ZPPBPVQNSA-N	555.472	7.364	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c(OC)c3)c2)c1	409226805	XDFIFNUNKXZJDL-KBKPWEKHSA-N	594.580	5.247	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	409237439	WUFJWXGAURCREQ-SZJFIWSWSA-N	602.472	7.206	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(I)c1	409237928	XZTWMIIVHQMRMD-YVLHZVERSA-N	535.307	6.263	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)n1	409251385	PVQPWPUMHFIJTO-OPEKNORGSA-N	564.303	5.440	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409254767	ISFOOVXOKVLGGD-WKIKZPBSSA-N	575.257	5.310	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1	409265214	SZUSBJXFALWGAV-KMUKQRDJSA-N	586.088	6.716	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)c1C	409268079	YBHMAHJLPGDCJW-VCHYOVAHSA-N	617.725	7.045	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)cc1	409363231	KLADDCMHEQJLJE-QGOAFFKASA-N	538.373	5.550	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc2c(c1)OCO2	409364951	PLTWQPXRAKOQJE-IDUWFGFVSA-N	652.182	6.176	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	409377900	KFLAYQXYGRDJRL-FABQOPTDSA-N	612.111	6.997	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409394415	AEAXAIJWRDAORF-UHFFFAOYSA-N	726.765	7.913	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)cc1	409395087	JSGSKJOUUOIWDW-UHFFFAOYSA-N	712.769	8.147	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)cc1	409396410	YDVFPUFDJYOFKU-UHFFFAOYSA-N	654.870	8.561	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3O[C@H](C)C(=O)O)o2)cc1	409400846	FSJKWVYTCLIDMY-DLIVZJNESA-N	580.435	5.644	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(Br)cc1Br	409402074	VDPODNGEOREJNH-UHFFFAOYSA-N	707.419	8.143	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409402112	JASKZIHYMRANQR-OFSKBFHASA-N	564.038	6.014	50	40	KKGB	
C#CCOc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409402223	JERHTFYLDWOABV-FZPRHHONSA-N	624.919	6.857	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	1245727	FFZKTNLNCVSIGU-VWLOTQADSA-N	563.477	6.057	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccc(OC)c(OC)c1	1246400	KSJJNFSHECSFDT-OGLMXYFKSA-N	517.611	5.017	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1OC	1856201	SZKONSWQXUZONP-RWPZCVJISA-N	522.030	5.156	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl	2347415	DLIHFRDAOARABR-UVHMKAGCSA-N	516.841	6.137	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)nnc2-c2cccnc2)cc1	2710253	XKZOZMZHYWPGOA-MUFRIFMGSA-N	500.628	5.094	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1ccc(Br)cc1	3090262	UEKFHJFXYYFRIN-OKCVXOCRSA-N	596.275	6.285	50	40	KKGB	
O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	3139639	JBKYGFKYSNTQEU-LYIGRZEFSA-N	545.389	5.047	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	6177763	OWJLGOKCODKKSZ-ATZGPIRCSA-N	531.487	6.723	50	40	KKGB	
CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCCCl)C(=O)N(C3CCCCC3)C2=O)cc1	8431433	ANLBBGSPMGOOOB-DAFNUICNSA-N	503.083	6.562	50	40	KKGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1	9909694	OHEGBWZDXHHEOT-WOJGMQOQSA-N	519.976	7.131	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccccc2C)cc1	20060007	AGXPVCFNAZTJIZ-UZWMFBFFSA-N	521.642	5.955	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1	20233362	WKXUGEOCDRKNNS-MTDXEUNCSA-N	514.047	5.249	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc(Br)c1OCc1ccccc1	28217844	IOSYLMQBISLIJJ-FLOSOGMCSA-N	513.457	5.809	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2Br)cc1	97962911	DDDMZQUDQYUNQI-ZMOGYAJESA-N	552.244	5.052	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100122762	GARMPIXUOZBAAF-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
CCC/C(=N\NC(=O)CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)c1ccccc1	101090125	SGSJGEMXTNXGQP-WEMUOSSPSA-N	534.483	6.110	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1ccco1	101305285	JVZXUBYPCQFPAQ-QHCPKHFHSA-N	554.455	6.355	50	40	KKGB	
Cc1c(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1	103843572	QBNFSXXRAPPUPL-PTNGSMBKSA-N	533.651	6.818	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	103885471	BRBRZHLPBSGVPA-ACAGNQJTSA-N	533.047	6.093	50	40	KKGB	
CC(C)C(/C=C\c1ccc(Cl)c(Cl)c1)=N\NC(=O)N/N=C(/C=C\c1ccc(Cl)c(Cl)c1)C(C)C	104304552	HPEDTLWUJMVBLM-ZYFQMKIESA-N	540.322	8.350	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(C(=O)OCC)c1C	108923597	AUMVNFUORAKIPY-GZTJUZNOSA-N	536.562	5.605	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	113622639	NPNLYBCVLAPJJH-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1	150376949	QNBVRVKKCOOCJI-QJOVZPHJSA-N	639.700	5.455	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	150452870	YHMRAYIZPLFJDR-XZYGTATASA-N	665.603	5.544	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cc(Cl)ccc2OC)cc1OC	150474336	XWIGZMDUIYPBGU-AABVJFSESA-N	680.010	6.426	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408532036	PMFQQFJPKWPAOY-PNQUVVCRSA-N	581.345	5.526	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2OCC)ccc1OCc1ccccc1	408538400	MHDLAGGVRVVLME-WGOQTCKBSA-N	617.529	8.494	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Cl)ccc1OCc1ccccc1	408539152	UHMBWJANXVICAU-YSMPRRRNSA-N	587.503	8.404	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408540490	SLJPCKFGXBMGJE-WPWMEQJKSA-N	536.584	7.224	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccccc1F	408552003	QZIGRISGOIFNHN-OYKKKHCWSA-N	502.383	7.783	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	408555433	XIQZAMBIBNOQJZ-CXUHLZMHSA-N	502.741	6.637	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Br)cc1	408599307	SHPVBNREYZILGA-VCHYOVAHSA-N	571.294	7.332	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(N2CCCC2)cc1	408678409	YROYUHFZDXWGLM-ZCTHSVRISA-N	528.450	6.545	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408727623	UXNLOYPFFMZMGY-XODNFHPESA-N	628.250	6.177	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408744897	NWYLJRKIHAKKIH-IUXPMGMMSA-N	595.118	7.952	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408787974	HXPYZNHQKQEAHG-XHLNEMQHSA-N	510.593	7.543	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)cc1	408789717	RNZWCUAMWXZQAX-RQZCQDPDSA-N	542.773	6.144	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(I)cc1	408790088	NKJLPLLPELYCKW-WOJGMQOQSA-N	684.699	7.073	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccccc1	408791845	DIQLBPBFDPEWDR-YBFXNURJSA-N	511.803	6.626	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408792327	ALTFIKMXVSRCAC-RGVLZGJSSA-N	536.382	6.107	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1Cl	408793879	GLUZAOSPCODRGY-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408797474	SATPMINXZRUUFT-LICLKQGHSA-N	549.195	6.723	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)cc1	408797677	SYJXHIQTFISQHH-RGVLZGJSSA-N	584.264	6.431	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(Cl)cc1Cl	408799158	YBBADTUWQYKWHO-KEBDBYFISA-N	574.302	7.896	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1cccc(Cl)c1	408801060	SKMUSQQBPKOVBY-GIJQJNRQSA-N	593.248	7.040	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(I)c1OCc1ccc(Br)cc1	408801425	ARAIPYJEVDHHAJ-NJANSZDQSA-N	609.302	6.243	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1C	408806534	JONOALXGBWGWQK-SRZZPIQSSA-N	509.831	7.152	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408811746	AKBLHBLTMWYVAI-XPTVTYFISA-N	542.683	6.113	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1	408812445	OTERONBTXONBBF-NHDPSOOVSA-N	570.281	6.331	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408824804	HTJOHDBGIHCFSI-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408825190	JHKNERLZLFFISN-QJOMJCCJSA-N	624.546	7.230	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408838584	GKPAERSOZSBWGA-CDLBOOTPSA-N	722.603	7.868	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1	408840019	AIDIBPUGSLHDHI-MHDJOFBISA-N	625.306	7.300	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1cccc(I)c1	408840890	CVMONWJHKLSNBZ-KPGMTVGESA-N	651.961	7.983	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C	408870345	VWLCTAXTPLRCQR-HZHRSRAPSA-N	500.520	7.600	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1Cc1cccc(F)c1	408872332	DFJLCQDQFBPCAB-DJKKODMXSA-N	527.821	7.085	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	408875046	BVHZBWLQZCOYTM-RUMWWMSVSA-N	541.673	5.881	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1	408875559	KAEGLKHMFJOANW-ALQBTCKLSA-N	635.142	5.329	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)c1	408887689	SLIZQEKKEHSBHN-RGVLZGJSSA-N	529.356	7.209	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OC(=O)c1ccccc1	408890448	UATOGUZQTRAGPS-VCHYOVAHSA-N	583.338	5.281	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1cccc2ccccc12	408890745	YODNJNLAYLNSKM-LQKURTRISA-N	503.352	5.594	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1ccc(I)cc1	408894636	JXWUCJOZPVJSGV-FMIVXFBMSA-N	519.682	5.658	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccc(C)cc1	408897650	ZGQRYJODVXVXPF-LDADJPATSA-N	541.969	5.269	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408897657	SKDPUSRUDLVJBA-ALQBTCKLSA-N	593.562	7.360	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2Cl)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905106	TUEBECSGKRFABV-ZRGSRPPYSA-N	575.746	5.942	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccccc2)cc1	408923149	FSMBEIGTTABWMS-UHFFFAOYSA-N	513.704	6.058	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccc(F)cc1	408927065	ZLEVBYIDWZPFDH-RQZCQDPDSA-N	564.238	7.418	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1	408940088	BUAOOEINCYMFMB-YTTGMZPUSA-N	608.720	5.304	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	408945171	KIZWZDFTWHDONZ-BHVANESWSA-N	748.703	7.459	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c(OC)c1	408956507	QOQHCWWMARUHCE-OUIUOFGZSA-N	651.116	5.046	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)c(OC)c1	408957646	VIEHSGZZULKAPK-QDJKUCHDSA-N	622.678	5.148	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408968722	YFRNTUJXCZNVQB-IURWMYGYSA-N	582.348	5.787	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969968	XXEALFYHVNVZBA-POPVJJPVSA-N	613.336	5.225	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408970426	HQAOHQWFGMSVNA-OBSXRXROSA-N	616.929	5.703	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1c(C)cc(C)cc1C	408977877	GBCUVVCOIRSYPH-XSCNPWQVSA-N	563.698	6.601	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1Cl	408986822	NGWNNSMDSASSHA-VCHYOVAHSA-N	546.248	7.198	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	409012862	IZVZDHQOZBUAIW-RMKSQTBNSA-N	678.569	6.345	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc(Cl)ccc2o1	409017122	WUADJZPIXCYPRP-ZRGSRPPYSA-N	575.746	5.942	50	40	KKGB	
Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccc(C)cc34)c2c1	409035957	KQXNIOKUCMIFNJ-CVUIAOGPSA-N	625.987	9.554	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br	409042214	WTNHBYCPQIZUSG-LQKURTRISA-N	535.467	6.869	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1	409047160	NEIGLLBJQOGAHA-LZYBPNLTSA-N	564.636	7.129	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1	409088488	FSBARRXCYJWOPD-RIYZIHGNSA-N	532.818	6.513	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)c2C)cc1	409129431	GODJOGDOCNYSCG-UXHLAJHPSA-N	626.520	5.353	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	409137084	WGWZAHWPCJUUIA-NDZAJKAJSA-N	625.488	5.216	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCc1ccc(Cl)c(Cl)c1	409163160	MQKXHTROWBIPTF-WCMJOSRZSA-N	552.414	6.580	50	40	KKGB	
O=C(OC(c1ccccc1)c1ccccc1)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409177357	FIESQBCVMHINPW-KIHHCIJBSA-N	597.303	6.059	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc(C)c4)c(I)c3)cc2c1	409186551	DQVOSXRTGIUTIE-NUJZUDFISA-N	633.280	6.850	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1	409222149	BRCYYIJFNZRKDN-LXJCPCAWSA-N	632.898	6.746	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409234906	AJRFMDMMPOERRL-HMAPJEAMSA-N	631.308	6.297	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(C)cc5C)c(Cl)c4)cc3)cs2)cc1	409256524	LVJPBOQSNBCLTD-VHFSBPNMSA-N	624.166	7.914	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1	409259451	ZQUKBYHVFYIRTR-FYJGNVAPSA-N	534.012	5.927	50	40	KKGB	
Cc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c1	409268247	YIRONSKMCOTDLL-RPPGKUMJSA-N	536.651	6.516	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)cc1OCC	409320149	PISQVNWQUWXQJS-FDVSRXAVSA-N	590.312	6.660	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1OCC	409324474	SSSKTEDDRFVYJC-RHANQZHGSA-N	603.491	5.261	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2OC)cc1	409381061	DIVCEMIEFNHZKP-PDGQHHTCSA-N	566.408	5.038	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl)Nc1ccccc1F	409386414	NJSKVGAUSUOLRM-QNVXDBMFSA-N	634.520	7.781	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(I)cc1	409394193	WYMBDJJDEBTNIX-GRSHGNNSSA-N	625.219	7.077	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1OCC	409396403	YCYTXMWFFWAOSW-UHFFFAOYSA-N	694.504	8.397	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Br)cccc4c3-c3ccccc3)cc2OC)cc1	409399065	XQDSLCOCXMLYTB-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409400698	FDNOMJMNTFSIRS-KOKCXWAISA-N	642.108	7.359	50	40	KKGB	
COc1ccc(N(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)C(=O)c2ccc(Cl)cc2)cc1	504131662	ASSHTINDTQQHHS-UHFFFAOYSA-N	616.501	6.883	50	40	KKGB	in-vitro
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccccc3F)cc2)c1C	1529548864	VUTJZFUPZQYRSG-IWCMBNRNSA-N	669.779	5.697	50	40	KKGB	
N#C/C(=C\c1cn(C(=O)c2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	2669459	PBTOGYWANPJFOT-UDWIEESQSA-N	557.462	7.230	50	40	KKGB	
CCCCCOc1ccccc1/C=N/NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1	8386675	YNKRSOIYKJDXDI-TURZUDJPSA-N	514.047	5.255	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	9305816	AMRAXQDZONUTNB-ZRPFTQSCSA-N	510.997	5.142	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1	13923655	RCCZEOSXHQDQGP-CCVNUDIWSA-N	500.382	5.232	50	40	KKGB	
O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1)N/N=C\c1ccccc1O	31829164	QFNFCQLACOWPLN-MBTHVWNTSA-N	512.616	5.062	50	40	KKGB	
C/C(=N\NC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1	97972262	PTSDBOYJYXSMIK-STMHOWPUSA-N	599.534	6.599	50	40	KKGB	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)n1-c1ccccc1F	97990762	YKBYAMCSOUYKOJ-JCMHNJIXSA-N	509.493	6.151	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccco1	98001269	MIOCKGXSMLDSSL-YCPBAFNGSA-N	635.490	5.969	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cc(C)cc(C)c2)N1	98048718	MBOWCHNODXULKO-GDLZYMKVSA-N	558.103	6.768	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100123772	BQJZXLYPVZQAPG-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	100123783	OPEYOCFCCXUUGI-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1cccc2ccccc12	100228268	BLBRKJDWNYYROL-QCFMCPCVSA-N	530.624	6.204	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100289618	SCRMJZSXMXWHOZ-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
C=CCc1cccc(/C=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c1O	100850620	FZJAMPIZVVBNLZ-UHBFCERESA-N	544.702	5.311	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1	100989481	YPGNSALMTXCFIU-CKVBZJJFSA-N	573.299	6.821	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1Cl	102934975	NCCLDNMYSUUTKS-LZYBPNLTSA-N	605.772	5.692	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(=O)(=O)c1ccc(C)cc1	103895020	IVZZCGYATCNREZ-HNSNBQBZSA-N	572.731	5.682	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	216043236	LUYHDVYXXAKPRN-DBFSUHOCSA-N	597.280	6.495	50	40	KKGB	
COc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1	408537439	FDCNDEBYTNCISA-UQQQWYQISA-N	525.004	7.052	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)Cc3ccccc3)cc2Br)ccc1OCc1ccccc1	408539890	KHPNOXDSOIUQNK-FZKWRIDDSA-N	652.383	7.461	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408543288	QACLERPRIJRPMT-GRSHGNNSSA-N	564.392	5.028	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc2ccccc2c1	408549456	TYCXETUCIRKYKM-JJFYIABZSA-N	553.681	8.661	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc(Br)cc1	408553300	NQDNUMBXEYUSNN-CXUHLZMHSA-N	536.640	7.491	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408569754	PUCDNWSUPQOPNV-IPPBACCNSA-N	664.543	5.585	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408580107	AFSOJKASNDOFKI-UDWIEESQSA-N	605.450	5.847	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1	408580953	FJCPTCZDDFRBFO-YBFXNURJSA-N	515.322	6.091	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408598681	IHGMKSJJBXBWKJ-GRSHGNNSSA-N	560.775	6.895	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408637722	AVVLIBVWBWUUFZ-YRXWBPOGSA-N	647.147	5.164	50	40	KKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)c2-c2ccccc2)cc1	408733692	ZSNVFZDBXUFPRU-HWIUFGAZSA-N	544.567	6.270	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408739795	AMSCRCSWVWSDIG-HNSNBQBZSA-N	662.325	7.648	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(Br)cc1	408743529	GLKIFHHQDFOJMM-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)Nc1cccc(Br)c1	408758870	SWIOLLXNKYQJMC-LGUFXXKBSA-N	544.452	8.119	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccc(C)cc2C)cc1	408789214	KQNNQJXVKDYQIY-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408793903	QUSAHPABMLWSCT-RGVLZGJSSA-N	536.382	6.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1cccc(F)c1	408794914	KMWLBNCZPBSIJG-RGVLZGJSSA-N	600.384	5.740	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccccc1Cl	408799298	YUAPJDZALUBFSP-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408815667	SXQBYQDRGSWOPM-VUTHCHCSSA-N	647.569	9.013	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(I)cc1	408818149	ZLOZACSFEOTOOA-YVLHZVERSA-N	607.217	6.326	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408828985	KEABTLNYLFHYMG-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccccc1	408832251	RSPJVBUUEGAADX-BUVRLJJBSA-N	559.449	7.706	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408833421	KAVQULXOYFOXPP-JVWAILMASA-N	601.530	8.713	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc(OC)c1OC	408838270	DBAAPIOKCWKJHE-XJECJHNESA-N	689.102	6.724	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1	408842404	JVSMNZBAQHBNGC-FBEAGNJQSA-N	519.557	5.330	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccc(C(=O)O)cc1	408842588	OUYXZXNNWCYFRL-VVEOGCPPSA-N	541.555	5.704	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408859775	QKAJNTMDOCLBNW-XKJRVUDJSA-N	598.346	6.736	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1OC	408861876	DYWLUCFNNIEARZ-VFLNYLIXSA-N	582.278	6.054	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1)c1ccccc1	408861961	VVQUNLJIWPOMPP-SILRVRRXSA-N	575.713	5.029	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408867621	MAHLKFKQHOVUGS-XZYGTATASA-N	696.620	6.016	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cc(C)cc(C)c2)cc1	408869204	SBCNTLOJKAGYCZ-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408878775	AYWMSWWGAULROB-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
Cc1c(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc2n1Cc1cccc(F)c1	408882981	PTMKGVACSAMZPN-JJKQSNDFSA-N	598.487	6.648	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)c(Br)c1	408886882	JPTPIXAXFWIQQN-GXDHUFHOSA-N	520.608	6.979	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408890024	MSMPKPIPOMGTOF-XSFVSMFZSA-N	667.297	7.370	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1	408891954	WGPNCNXCKMDLJE-FRKPEAEDSA-N	577.218	6.797	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2Br)c1	408921557	ATLGLURTEQTQIY-LUOAPIJWSA-N	571.096	7.170	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1	408944207	ISWZPENXNOZFPQ-MUUNZHRXSA-N	804.576	5.184	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1Cl	408947403	CJQUTDLZQGSRQE-XKZIYDEJSA-N	534.443	6.718	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2sc3c(c2C(=O)OCC)CCCC3)c1C	408949709	RKYSDIQZCMNPCU-SSEXGKCCSA-N	677.849	5.096	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2cccc3ccccc23)c(OC)c1	408954196	NEIOZZSRGIGGMR-AEDYYIHTSA-N	874.470	6.357	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCc1ccc(Cl)cc1	408955347	OOCRRTVGWUYVEM-GQZAJMAYSA-N	647.128	5.376	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)c(OC)c1	408957540	UVAWBPXNHRPHQZ-FEFDWTNPSA-N	818.534	5.027	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c3ccccc32)c1	408964124	OUJMGXRDLJTMLF-HKZARDJKSA-N	607.582	7.062	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	408969653	RPIXNOXTFHDZPK-HGPOGWAXSA-N	584.503	6.945	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	408973806	VHXGYJJCJXEFIE-CTASPCEKSA-N	747.901	8.032	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007894	RKXVTJLKIHEBFI-IPHFVPNQSA-N	566.702	6.726	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)cc1[N+](=O)[O-]	409016678	VJQYLRMNXDWCOM-KBKYJPHKSA-N	621.229	6.188	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409027208	CDZJFARZHXOFIJ-OGLMXYFKSA-N	533.481	5.185	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc2ccccc2c1	409037123	SFEXEKKJVLCZCQ-ICUTVXMZSA-N	537.619	7.407	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409048389	WIKGFFIKUVXOFQ-DPNNOFEESA-N	597.538	7.968	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1	409158011	WVKOSGPHXWAVDO-WKULSOCRSA-N	546.824	6.080	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1	409185414	LFJSXDJCQSXSRS-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409219405	QAWYEUGUXKQNRN-DWTRJBGASA-N	658.107	6.400	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c2)cc1	409222988	DYDGMXWHCZFFDP-UHFFFAOYSA-N	635.312	6.755	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409226808	VWJFXJIIMYRARI-BRTDYJQMSA-N	621.999	7.002	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1cccc2ccccc12	409232589	RLUJBQZSUFQAHQ-YQUKCCFRSA-N	555.472	7.364	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1	409243774	YISYLWWVNGFXAH-ZMFRSBBQSA-N	520.196	5.623	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)c1C	409266085	JNGWBPADTLPBJU-VCHYOVAHSA-N	528.823	6.827	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cc(C)ccc3C)c(OCC)c2)ccc1OCc1ccccc1	409266893	SAEAQRATQPURIT-CLHYIUPASA-N	721.592	7.066	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409381951	JAGWDTBCAAJIDO-KVSWJAHQSA-N	543.289	5.716	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl)Nc1ccc(F)cc1	409387226	VARCCEYYERFSQO-KKMKTNMSSA-N	526.933	5.383	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409394543	BXGNERGQRMWGOS-UHFFFAOYSA-N	770.228	7.843	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1	409395063	JJRBQHMHRRULDC-UHFFFAOYSA-N	655.730	7.898	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)c1	409397086	GABPCHDFPCDOPV-UHFFFAOYSA-N	507.521	5.966	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccccc1	409400891	FUYWCTWMEHFJBY-VHFSBPNMSA-N	707.419	8.143	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OC(C)C	409402047	VBXVEVIDUCSVFP-ACXHZZMFSA-N	580.479	6.588	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1cccc([N+](=O)[O-])c1	409406137	WBQILBBWMXSTIS-AEVGBRMKSA-N	721.992	8.332	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)o2)cc1	409407794	HVNUMNLVESUMRU-APTWKGOFSA-N	551.599	6.467	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	1529548181	YPVDPIYYDPAKFB-MKEMXLLOSA-N	753.446	6.062	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	710593	YABLYXKHDUXDFP-RUZDIDTESA-N	519.026	5.948	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1	1820223	XERPLRNBMZIXCA-IBBHUPRXSA-N	520.416	6.771	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)c1OC	1826887	CROQJSKRBCPSCU-RWPZCVJISA-N	522.030	5.156	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)/C(=C\c1ccccc1O)NC(=O)c1ccccc1	3145914	KUSUSOILOMRYTF-YVEFNYMJSA-N	530.378	5.336	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccccc1Cl	3232193	WTLPBLSVSUPVHB-GIJQJNRQSA-N	501.797	7.170	50	40	KKGB	
Cc1cc(OCc2ccc(C(=O)N/N=C/c3c4ccccc4c(Cl)c4ccccc34)cc2)ccc1Cl	3251111	XXVCLEOJZZTTJJ-ATZGPIRCSA-N	513.424	7.951	50	40	KKGB	
FC(F)(F)c1nc2cc(SSc3cc4nc(C(F)(F)F)[nH]c4cc3Cl)c(Cl)cc2[nH]1	8651819	RBHOHJRBYLTTGS-UHFFFAOYSA-N	503.280	7.583	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc(Cl)cc1Cl	9427493	CBZDTCXMCZXILC-MUFRIFMGSA-N	511.434	5.633	50	40	KKGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5Cl)cc4)CC(=O)N3C2)cc1	12251084	AORWRRMOXAWERW-RUZDIDTESA-N	516.066	6.701	50	40	KKGB	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1	13806846	MCAHIYMNKRZCLU-KGENOOAVSA-N	505.983	5.404	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	59888049	GQRVGODEEDLUHA-QNKGDIEWSA-N	587.698	5.327	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	72137788	RZNOUJVZRGPNED-SXGWCWSVSA-N	597.899	6.949	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccncc2)cc(I)c1OCCOc1ccc(C(C)(C)C)cc1	97958632	VZXHMQVFBGXBIA-STBIYBPSSA-N	573.431	5.214	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc2ccccc12	97960892	XYXUIZDLGCUGSC-BJUCDSOZSA-N	571.393	6.902	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	100070712	AGAUDZBCUFAPRF-UCMJSZAQSA-N	606.148	5.090	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1	100241944	ZNSHWTKLQRWCGB-HWIUFGAZSA-N	593.149	5.530	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C(C)C)cc2)N1	100600816	NPDQRTQMQSPOBQ-HHHXNRCGSA-N	528.703	6.578	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)[C@@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)cc1	102418538	UFMMRSSYTRVQDT-DXBVXKBHSA-N	622.090	6.344	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12	112254579	LVEYSMVDVRUQRO-JIOLUUPVSA-N	562.629	5.389	50	40	KKGB	
CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341581	PGTZMAVZAHEJCS-SNVBAGLBSA-N	686.228	9.940	50	40	KKGB	
CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341732	QGHZNZSVANDDGP-INIZCTEOSA-N	720.383	11.645	50	40	KKGB	
O=C(C(=O)c1ccc(/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1)c1ccc(/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1	150487075	QCNBTJRYIGBWIN-RIVOPQIESA-N	696.506	8.821	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164736470	HNPHXCPHEOQOSG-ODLFYWEKSA-N	678.151	8.638	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccc(Br)cc1)N2	245231863	KYBQEDLMFBSDRF-ASDZUOGYSA-N	594.940	6.043	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2OC)ccc1OCc1ccccc1	408538561	OTTZMAODKOIUMP-YUMHPJSZSA-N	627.535	7.869	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1	408538870	CTMBNMSHGGAWFI-SJIPCVTESA-N	502.655	7.168	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OCc1ccccc1F	408541767	DPQDAOJWCGZFMD-VXLYETTFSA-N	553.375	6.575	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(C(=O)OCC)c1C	408546120	DFBVFKOCGUJNEG-UDWIEESQSA-N	586.493	7.015	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552885	LKXIBMJDFOLXJV-LZYBPNLTSA-N	522.215	7.390	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408638945	DRXAXBJTHKRTAM-NCOADZHNSA-N	662.118	5.064	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1cccc(C)c1	408678420	YWJJGTJWWDZPHA-STBIYBPSSA-N	522.443	5.709	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1	408686445	SMSDMBVMBXAYDH-PSWKNJSVSA-N	586.202	5.240	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408726183	QVKUVMAUJANCKM-UNOMPAQXSA-N	552.381	5.889	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	408742602	BKXHRBZJPPAEND-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc(OCC)c1OCc1ccccc1	408747224	KRJXADMXOADZPR-STBIYBPSSA-N	570.427	5.770	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408756621	RLJBKFQHPFRZPT-XNTDXEJSSA-N	562.785	5.324	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1cccc2ccccc12	408765915	RQGKRYLGVWYSQT-CIAFOILYSA-N	594.836	7.231	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408774569	PJJMPGZTQSFFAA-VFLNYLIXSA-N	527.927	5.152	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	408796564	ALTRBXDNPFKKNI-YBFXNURJSA-N	633.280	6.504	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)Nc2ccc(Br)cc2)c1Cl	408814938	SODVZSUIJJNQBZ-OPEKNORGSA-N	540.201	6.425	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1cccc(C)c1	408828009	LGIRXLYQMILQAO-MFKUBSTISA-N	573.476	8.014	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408829918	RBZWUMQPGOMHFT-KULFSUQXSA-N	735.484	7.315	50	40	KKGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408832634	YBNDDDPIFPIUKI-KCSSXMTESA-N	611.507	5.357	50	40	KKGB	
COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	408837008	XTPJHFHACFYPGZ-CNCDYAKUSA-N	649.940	5.728	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1C#N	408851271	XCJMMLKNEJXKTD-KDHRXPGNSA-N	629.558	8.158	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(OC)c2)cc1	408866841	GXMSMPUWILTFQO-FYJGNVAPSA-N	505.368	5.381	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c2cc(C)cc(C)c2)cc1OC	408874599	CIMDIIQRQDAQLF-YSYOEVFLSA-N	765.510	7.323	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	408878466	BAKXGHLCJRGODU-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408878618	AZFATSHOTCLYNY-WOJGMQOQSA-N	602.812	6.117	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1c(Cl)cccc1Cl	408889158	AHQKJCUGMOIUFG-NTEUORMPSA-N	631.129	6.832	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408892215	XXUXAUZDWJBIDJ-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)ccc1Br	408905240	VQYSHFATVWLYGT-BCHBDCPOSA-N	630.562	7.671	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2Br)c1	408924260	MIYKMTRJYYERET-CAOOACKPSA-N	605.670	7.206	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	408944250	IVPUWTRRJDMBHP-MUUNZHRXSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(C#N)cc1	408945987	MAEPCWVXFKOERH-NDEPHWFRSA-N	741.462	5.547	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408962827	JTQLRTIUCZNRIV-IPBVOBEMSA-N	601.173	6.482	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccccc1Cl	408964735	DOHOELXQIFECLW-KVSWJAHQSA-N	516.754	5.465	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)ccc1OC(C)C	408969418	NIZFEKRWFXHYLN-OTYXWFFFSA-N	587.342	5.992	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1	408972023	OEUCPXALBQALNF-JHSNMWSGSA-N	563.279	5.401	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408972533	UVMNLRCHCCPGOP-QDSMSZDISA-N	682.435	7.948	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408985494	XCLWPWIZFGIHEC-IUXPMGMMSA-N	561.219	7.097	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409016310	GVANOPNZXUHWMS-PPDIBHTLSA-N	501.739	6.331	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=N\NC(=O)COc2cccc3cccnc23)c1	409017307	YNASURDGOGPJHA-FDVSRXAVSA-N	504.384	5.414	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409018189	YHGOCQXFCSCCQA-CLHYIUPASA-N	616.158	6.753	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409022783	SQELIIITHYMRGZ-FXMZOFOKSA-N	597.090	7.608	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2cccc(C)c2C)cc1	409024036	HPXQZNVHPCMZQQ-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	409034464	HONZZTDDUBDIQD-WKULSOCRSA-N	569.912	7.522	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	409059640	RPAHSFABJRKDQV-XODNFHPESA-N	570.882	5.005	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1	409073053	WZQHZAMETRNBFM-XMHGGMMESA-N	618.449	5.402	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409131322	IXCPMNLQORXZCP-RUZDIDTESA-N	567.042	5.218	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccc(F)cc1	409132317	ZWMOXJOIOFNBMP-HSZRJFAPSA-N	558.347	5.332	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)C2=C1CCCC2=O	409147901	WWYYCHYGWGKHGI-OAQYLSRUSA-N	671.704	5.858	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccc(C)cc2C)cc1	409183966	HADVPQVRBSROSV-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCCOc1ccccc1Cl	409197812	PKQGZEAKWUJJLC-FYJGNVAPSA-N	520.969	5.149	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409224755	MGLLEDJINPOIAA-UHFFFAOYSA-N	577.380	6.137	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)n1	409238817	LJTFTBCLNGABHA-FJEPWZHXSA-N	517.630	5.461	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409248057	JTBPFWWMTZPDMA-STZFKDTASA-N	521.976	5.161	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409305261	UKHDBZMFLMYDRT-LJUMEUDFSA-N	545.463	6.923	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409309411	GTPUHZONUQRQEB-LEWJYISDSA-N	602.418	5.521	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3CC)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409323686	PDCNWWDRDKQPLF-FGZHOGPDSA-N	655.398	6.135	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1OCC	409323789	QNFGKXSTGZLLCB-RHANQZHGSA-N	588.442	5.830	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409364026	MVWVTODANSEMMG-KKMKTNMSSA-N	551.666	6.006	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	409373590	QYSRTKONZKJWLV-XAZZYMPDSA-N	588.285	7.269	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)[nH]c12	409394776	FSRXXMVKZSZFHH-UHFFFAOYSA-N	659.378	8.214	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(OC)ccc(Br)c2c1-c1ccccc1Cl	409395695	QTDPKSKPDFJXMO-UHFFFAOYSA-N	825.135	9.430	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409396950	DHHJVRWVAHVDKL-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397440	JWXCTNMGDLUEGC-UHFFFAOYSA-N	644.953	8.195	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC#N	409400744	QLVFXHZDRQOILC-ACXHZZMFSA-N	577.435	5.704	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OC(C)(C)C	409406181	WDNSZBYFTAWIOC-OHUYPAJKSA-N	655.533	7.211	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	1529545701	ATTJKGHLNUVUHA-IMBFNDCQSA-N	696.440	6.764	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12	1529548142	ARSDVWRWUPRYLS-ACKQVUGPSA-N	643.165	5.957	50	40	KKGB	
CO[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	2049251884	DFPLCHVNJPFGLA-TVUMPHSFSA-N	606.744	6.014	50	40	KKGB	
COc1cccc(-n2c(NNC(=O)c3ccccc3Br)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1	1830183	QWFMOZODVBOQQV-UHFFFAOYSA-N	585.502	6.186	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	2342923	HSZKRUWHQSXFJM-BDPHVXEFSA-N	508.430	6.367	50	40	KKGB	
O=C(NC1CCCCC1)NN(C(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1	3768085	MVZFNJZGVLNTGV-UHFFFAOYSA-N	504.443	6.702	50	40	KKGB	
CC(C)C[C@@H](CSSC[C@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	3850969	AEWOICLODRFYKF-UIOOFZCWSA-N	532.772	7.050	50	40	KKGB	biogenic
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CC(C)(C)C3)cc1Cn1cc([N+](=O)[O-])cn1	8456003	WQBGFIZXEQNWOT-HHHXNRCGSA-N	617.504	5.860	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(C)cc1	15930335	OFCNCOXMVSMILA-PAYBXDNHSA-N	519.074	5.862	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1	58871567	LFJHRHUWDAHQPA-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1	59116751	WMFBSDCGYLAFCC-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl	59117430	BLVKNPZKXSVVBL-ZROIWOOFSA-N	506.172	7.065	50	40	KKGB	
Cc1ccc2c(-c3ccccc3)cc(-c3ccc(OCC(=O)N/N=C/c4ccc([N+](=O)[O-])o4)cc3)nc2c1	79047121	XDEWSRVADHSOGT-OCSSWDANSA-N	506.518	5.908	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C(O)CCCC3=N2)cc1	95483824	HORIWIWHMDYIMZ-VWLOTQADSA-N	516.579	5.015	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)sc2c1CCCC2	97946704	IRQRFUVPOSFISK-CZIZESTLSA-N	596.709	6.447	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC(C)=C2C(=O)Nc2ccccc2)cc1	97952094	ANZLQQULVBCAGC-LJAQVGFWSA-N	538.673	6.100	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc2ccccc2c1	97960816	CVSSYUPQTKTWRL-YDZHTSKRSA-N	527.374	6.425	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1	100062887	AVVGTXGGEGBLQX-MUXKCCDJSA-N	580.704	6.536	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)c2C)cc1C	100123735	DOFPOKFRCSNFNN-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br	100580408	JCJQSAMGKIWCCQ-ONNFQVAWSA-N	515.545	5.327	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1OC	100852193	XMQBQJMDZWLMOX-QXPFVDMISA-N	557.720	6.190	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1	100884935	BGWSUMFHGJCKTN-MIXAMLLLSA-N	524.477	6.490	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Cl)c(Cl)c2)N1	102616782	SICVHICVCCNWRE-DEOSSOPVSA-N	524.429	6.537	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)cc1	103897825	ISMTZFJHMCPHEC-QCFMCPCVSA-N	593.705	6.163	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)cc1	136368748	CFJSBDONAFRTRE-UUWRZZSWSA-N	590.789	8.388	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341951	ZJZVJUWNSHYVAW-QFIPXVFZSA-N	804.545	13.986	50	40	KKGB	
CN(C)c1ccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3)CCCN2Cc2ccc(N(CCCl)CCCl)cc2)cc1	150371884	KFTZHAOJLCBYCS-UHFFFAOYSA-N	665.581	7.727	50	40	KKGB	
CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCCCC	150382820	KJUBEGIFERPZLX-DMVVRNKISA-N	792.907	12.827	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	169795471	XURRLFNBZPIMAL-OALUTQOASA-N	756.329	11.621	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408526543	DJRPWKOYZZNOPY-LGJNPRDNSA-N	548.231	5.328	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)ccc1OCc1ccccc1	408537721	HAOXZKNYCGXTKR-ZVHZXABRSA-N	648.351	7.924	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCC	408566066	DEHDBDGEQIAUKY-MFKUBSTISA-N	508.400	5.079	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408570411	URCSYGXXPUJAED-SXGWCWSVSA-N	529.740	6.603	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408570429	UYTUPAMBCGSGPR-AMVVHIIESA-N	681.549	5.464	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)cc1	408601231	ANUFABNBZGCFNM-NRFANRHFSA-N	508.018	5.431	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1ccc(N2CCCC2)cc1	408677561	RVUWUGDIXPIOLX-ZCTHSVRISA-N	528.450	6.545	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)Cn1cnc2ccccc21	408691716	NFQIHOUWZCGLCF-NVMNQCDNSA-N	651.673	7.085	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccccc1	408740944	FJXZZDGWBIIVMJ-XKZIYDEJSA-N	656.261	7.174	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408742953	CWIUVBARPZYFCZ-UNOMPAQXSA-N	633.280	6.586	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408745516	NDFCJNLEQWHAFU-BOPFTXTBSA-N	549.195	6.723	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)ccc1I	408748084	YCXAXPZYZQWYQN-DHRITJCHSA-N	501.368	5.088	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl	408757580	AGVMSTLXYKINIJ-NDENLUEZSA-N	552.255	8.034	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1Br	408759832	MLZJZJDSTRGFMJ-GHRIWEEISA-N	526.184	5.976	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408782634	XXXUFCGEWJDEAG-FDAWAROLSA-N	546.615	5.206	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(I)cc1	408782681	IQIFFOBUXAKZRN-UNOMPAQXSA-N	501.751	6.596	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2I)cc1	408787559	BVNYNZZBNQHQFV-CAOOACKPSA-N	642.118	7.794	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1C#N	408793352	ONFMIROTZKVLCH-SSDVNMTOSA-N	563.395	5.913	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(C)cc1	408794916	KKSBYCFJUWXFEN-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408796265	OOYDQMWXYSKNIL-GIJQJNRQSA-N	527.205	6.752	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2ccc(Cl)c(Cl)c2)c1	408807725	HLXIBWURHOAGBJ-GZTJUZNOSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408808013	MBPAIAYNKDSSFN-VCHYOVAHSA-N	501.797	7.170	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)OCc1ccccc1	408809023	HHMOXOPDDJGLPX-UWDUHWGPSA-N	585.016	5.767	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1	408813188	PXVFUBLVOMNJCA-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1C	408823138	CVLBORALOTUHGQ-OVVQPSECSA-N	567.483	7.770	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408824793	AOOBHRZYAXMUMI-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(C)cc2)cc1	408831862	PMXHRHMREXCIKI-FADJLKOXSA-N	609.773	6.795	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCc1ccc(C)c(C)c1	408834737	LRYYTWHCDCLQAB-UFFVCSGVSA-N	646.909	7.102	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc(C)c5)c(I)c4)cc3)cs2)cc1	408847765	UJWQWIQPLOOJMZ-FABQOPTDSA-N	658.565	8.118	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Br)cc1	408853133	LVIXTQNZOWJUFO-MUXKCCDJSA-N	619.253	6.542	50	40	KKGB	
Cc1c(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc2n1Cc1ccccc1Cl	408864739	YVSGNHBPCILDNY-JJKQSNDFSA-N	614.942	7.163	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)c(OC)c1	408865316	AHJNUTOIAGITJW-UFFVCSGVSA-N	600.307	6.340	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccc(Cl)cc1Cl	408878727	ANTFUZVXUKUPFN-VCHYOVAHSA-N	639.171	8.350	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408879822	HHUVZXWODATXCZ-UVHMKAGCSA-N	607.255	5.870	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OCc1cccc2ccccc12	408880918	JEIZYFIIHVKKES-WVKHYPTHSA-N	615.214	8.854	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2OC)cc1	408889299	BMZUZSARFBEZOB-MHWRWJLKSA-N	531.779	6.429	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc(C(C)(C)C)c1O	408892755	CUBSIGIIJZUPLP-HNSNBQBZSA-N	521.101	7.303	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	408893755	HIDHPQNVYAAINF-LUOAPIJWSA-N	565.276	6.719	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OC(=O)c1ccc(OC)cc1	408898507	WKWOHUFOCSXIDF-XDHOZWIPSA-N	535.940	5.729	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408907889	PXLGRMDGLLANRQ-ZLZXEHKWSA-N	574.475	5.989	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c(C)n1-c1ccc(Cl)cc1	408925708	SZALKOAPGKEAOF-SFQUDFHCSA-N	501.755	5.898	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1cccc2ccccc12	408941631	DZLIFFBQTZKKNX-HKBQPEDESA-N	766.512	6.829	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(OC)c1	408949449	FLTXYRWBJJOJCM-FAQSDZBQSA-N	641.508	5.301	50	40	KKGB	
CCCCOc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1	408964143	PHDNBZUUXFMEEY-VPMLLTSISA-N	556.490	5.817	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccc(Cl)cc1	408970702	CDQZZYWHOXKXNC-AASFFQPYSA-N	552.071	5.296	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1	408971452	OOXBMSIUQYIRLN-QHCDQGGZSA-N	630.967	6.059	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C/c3cc(I)cc(I)c3OCc3ccccc3F)[nH]c2c1	408991848	ZAQZYJPEHREVQO-RQZCQDPDSA-N	635.218	6.863	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	409000898	NREAZVOSYZMRDY-BCHBDCPOSA-N	729.359	6.025	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409009085	VKVFGQIJNRMGFB-YCPBAFNGSA-N	680.087	5.277	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409023125	DTRAYDZGXOAPHU-YNFMAFFXSA-N	603.698	6.521	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1Cl	409043367	QKKKTXORMDIZKJ-SFQUDFHCSA-N	510.775	5.666	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)C(=O)Nc1ccccc1	409048690	UOJDNZHULOFUTO-LICLKQGHSA-N	530.191	6.475	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1	409092641	VWYVGEXVSYHVEU-ZRGSRPPYSA-N	630.195	5.386	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c(Cl)nc2c1	409125185	LFZVUKIDVIVTRL-AMVVHIIESA-N	632.482	5.121	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1Cl	409127145	GRYJNZUQVCTPCD-OAQYLSRUSA-N	515.791	5.505	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)C2=C1CC(C)(C)CC2=O	409148519	QGFZMAWTZUDCDL-AREMUKBSSA-N	645.392	6.182	50	40	KKGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1C	409186320	AJEPBFXZAUAUPS-ZMFRSBBQSA-N	531.248	6.563	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1F	409202242	QRJVLSDXXZFBHZ-ODLFYWEKSA-N	544.320	6.380	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409219046	IKXMPFGYQIMPLU-LICLKQGHSA-N	669.825	6.925	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccco2)c1	409220203	ZFJFNGMEIWUUTP-VQVNZWJDSA-N	682.281	6.348	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)c1C	409253842	GZYRHCSTVUPGRZ-UNOMPAQXSA-N	538.829	6.283	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409257413	SLYSYMQVKDTDQS-WSDLNYQXSA-N	503.986	5.206	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1	409268504	UTMOXJZKDRKXSL-ODLFYWEKSA-N	538.387	5.652	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OCC	409302756	JZKSTFWLXFVOBR-FDVSRXAVSA-N	544.391	6.208	50	40	KKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)c(C)c3)=C2C#N)cc1	409311919	CXRSWYTUWFSTKI-KRWDZBQOSA-N	502.459	5.190	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OC	409322341	KBDDDPNMVNDLNB-MWLSYYOVSA-N	579.458	5.497	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1OCC	409327884	XOHASAGADCFQQF-MBTHVWNTSA-N	541.398	5.288	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1	409361949	DXTDLXKWANQBQP-HQDYHJHZSA-N	576.024	6.238	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409371803	OTHXHMIEUOPSPZ-ZDLGFXPLSA-N	561.173	6.605	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)c(OC)c1	409383735	DFBOGKIQIXKPFT-MZJWZYIUSA-N	539.373	5.075	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409394617	CVUIJBFKZBBCTE-UHFFFAOYSA-N	667.903	8.295	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(OC(C)=O)c(OC)c3)c(-c3ccccc3)c2c1	409395378	MXNWMJTZIBZIDE-UHFFFAOYSA-N	670.516	6.913	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1	409395513	OOIJIEWIYZTHHT-UHFFFAOYSA-N	726.219	8.114	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409396871	CGRJTWWHBCWUNV-UHFFFAOYSA-N	643.481	7.130	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3ccc(C(=O)O)cc3)o2)cc1	409401512	HIEAUYJYWQYWMG-RODHXAHZSA-N	676.951	7.723	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)o2)cc1	409403013	LQIWHMZUWFFQLB-RODHXAHZSA-N	606.481	8.055	50	40	KKGB	
COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409405706	UTIDDNTZXFABTD-MUXKCCDJSA-N	522.945	5.600	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)o2)cc1	409407712	GWVDNDFTTIDCQB-ZMGVVAQMSA-N	567.554	5.686	50	40	KKGB	
COc1ccc(C(OCCCCCCCCCCC[Si](OC)(OC)OC)(c2ccccc2)c2ccc(OC)cc2)cc1	627274938	IXAGNAXECPBEQA-UHFFFAOYSA-N	594.865	8.401	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1Cl	1900584	WJTJNKDSTKOMBX-HHHXNRCGSA-N	564.494	6.953	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccccc1C(F)(F)F	2177591	PCKIXDQDYGHZKQ-VFLNYLIXSA-N	544.382	5.353	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccc(Br)cc1	3090281	VMTMDHWCVPSSSQ-KBVAKVRCSA-N	546.421	5.782	50	40	KKGB	
Cc1ccc([C@H]2C(/C=N/NC(=O)CSc3nc4ccccc4s3)=C(c3ccccc3)Oc3ccccc32)cc1	8399729	CQDRZGKXFDYDLZ-JBDQIUBMSA-N	547.705	7.435	50	40	KKGB	
CCOc1cc([C@@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc(Br)c1O	9693507	NCXUXBDGGSLHBD-INIZCTEOSA-N	500.418	5.081	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Cl)c3Cl)C3=C(CCCC3=O)N2)cc1C	13174117	NYUALWTYRHOQMW-HSZRJFAPSA-N	512.462	6.411	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1cccs1	20283236	KOBWRLMLUUFFJL-AREMUKBSSA-N	515.660	6.016	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1	59647353	DGQKUTCKTRLLIK-FDAWAROLSA-N	624.513	5.331	50	40	KKGB	
O=C(Cc1cccs1)N/N=C\c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	97962938	DXYHAJMPAUVCMH-MYKKPKGFSA-N	540.208	5.324	50	40	KKGB	
CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1cc(/N=N/c3cccc(Br)c3)ccc1O)CO2	97966245	XAPAURPAVWKZGT-QJPVRPTFSA-N	537.414	6.158	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	97999992	NHKJFODQOHDBKG-AREMUKBSSA-N	593.934	6.809	50	40	KKGB	
COc1cc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)ccc1OCc1ccccc1	98048440	YUYFJZRXBMDBDL-QHCPKHFHSA-N	532.065	6.456	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccc(C(F)(F)F)c1	100235957	KHKBTYXQYBTWQP-OJYCWLPVSA-N	554.528	7.502	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1	100241898	ZPZJAVRVOOLSKE-MZFJOGFUSA-N	579.122	5.487	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	100458893	KYXGOQMHULWFRV-OPEKNORGSA-N	551.622	5.587	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100991309	LTZHCCLVMABVHU-RKZIHRPTSA-N	587.326	7.129	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2OCC)=C(C#N)[C@H]1c1ccco1	101305387	FCNOZMIYFPOLER-VWLOTQADSA-N	529.618	5.447	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2OC)cc1	102933841	JJAQICSZFQJNRG-GZTJUZNOSA-N	552.337	5.139	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl	103889280	VCWQMDZRYYJCLR-ATVHPVEESA-N	549.195	6.723	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889402	BAAFMPLRDZNVOQ-IUXPMGMMSA-N	606.101	7.515	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3OC)N=C3CC(C)(C)CC(O)=C32)cc1	104103692	BXGWRKOWUXXWJK-RUZDIDTESA-N	538.069	6.635	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(Cl)cc1	104402002	CHSHHCNGJOXZQT-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	105586626	RCKXHIZBKACPDC-YJOSWQKPSA-N	559.544	6.255	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1)S(=O)(=O)c1ccccc1	150385297	FJPLSAIEBHRNQM-FDALDRLYSA-N	690.063	7.978	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	150385617	XEICUXRWMUMYBD-PTEHHBOZSA-N	657.929	7.419	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1Cl	150469198	AJJOGBBUYANOQR-ZMGVVAQMSA-N	629.522	5.383	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2-c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1	150627442	PWUQCQRVOIZKKX-DPNNOFEESA-N	673.549	6.435	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795346	KAACBMIFXMZYAB-NXEZZACHSA-N	930.128	11.921	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Br)[C@@H](Br)c2ccc([C@@H](Br)[C@@H](Br)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	226323343	KYMFIPAQSHDSRX-LRSLUSHPSA-N	781.990	8.464	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)ccc1OCc1ccccc1	408536843	BINMGDFBOJOFFD-JFLMPSFJSA-N	587.503	7.773	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br	408539477	WNWINBQDLRKQQT-SFQUDFHCSA-N	506.238	6.716	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccn2-c2ccc(Br)cc2)c(C#N)c1C	408547505	YNJDJPMZNJPDBM-LFIBNONCSA-N	508.397	5.377	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552036	NNMQJXRFWCWWEK-VCHYOVAHSA-N	650.300	6.868	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccccc1Cl	408552174	HTUNAPSSBIZBED-YBFXNURJSA-N	552.483	7.329	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552560	QVXQYTFQJUQQRC-WBIBEUCMSA-N	636.532	7.151	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408555892	ZMSYJJUAVTUWQJ-MFOYZWKCSA-N	588.831	6.005	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1	408609797	SAMMJPAXKRVQCI-MRXNPFEDSA-N	504.801	5.722	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1F	408611636	RJQCJGQMRFIZIO-LUOAPIJWSA-N	539.188	5.563	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccccc2)cc1	408640630	BBXQLNWBIFAXMM-LGJOHJSGSA-N	714.794	5.577	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(N2CCCC2)cc1	408676624	LNEJIDHPUDSUSD-WKULSOCRSA-N	502.829	6.590	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)C(=O)Nc1cccc(I)c1	408751974	AWGNBEYKXLKPJH-SFQUDFHCSA-N	649.226	5.459	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC	408759905	NSYOFLOEIFUMQK-DHDCSXOGSA-N	506.194	5.721	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408764172	LOZAJAGYMREWPN-FNLZXBKISA-N	515.720	5.139	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408792360	AUYSNCOKIKWRKU-OMCISZLKSA-N	629.563	8.605	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(I)c2)c1	408792390	AZRKIIRQMYSOBD-RGVLZGJSSA-N	526.349	6.172	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795709	MTWQNCMGZYDVEY-OEAKJJBVSA-N	608.319	8.460	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408801386	AJCCRBDQWRNZHW-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1	408815195	RTRRHBNSZDWMGB-JAIQZWGSSA-N	588.829	5.764	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(C(=O)O)cc1	408815866	VKWZTSIFEAIKSP-ZDLGFXPLSA-N	525.330	5.420	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)cc1	408820868	ZYPLYUFVTVUFHH-OCKHKDLRSA-N	529.793	6.053	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408826179	KWHCZMZVKDRCHK-HYARGMPZSA-N	598.313	9.004	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408827288	GMDHZPNBODZAFT-KEIPNQJHSA-N	617.724	5.336	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408827831	HDLXIBHEPKWUFK-QXUDOOCXSA-N	622.143	5.980	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	408829092	NRTLGSZDQHEYHS-OCSSWDANSA-N	600.535	5.293	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408843516	NLNIQYXSZKHZJO-KULFSUQXSA-N	696.454	9.365	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1	408844633	CROCKFPMBXCMMN-FDVSRXAVSA-N	523.814	6.920	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408845405	WMOHXQJDZZPCJT-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408847525	SQCCOVGLTOQQLS-IZYHBKOJSA-N	646.552	8.151	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc2ccccc2c1	408848379	VZZGQUOJYBPFIE-CHSHITCJSA-N	724.624	8.971	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1cc2ccccc2o1	408856774	LEJPAFCQXWXBEA-PPDIBHTLSA-N	654.096	6.905	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408863836	QLCGTJHDTOSWDW-GOJREDGKSA-N	607.732	6.472	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1Cc1ccccc1Br	408865056	AVBIHUYORZFNKK-FYJGNVAPSA-N	615.309	7.151	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408867234	KIBPXMQZZMWEST-FRKPEAEDSA-N	647.218	7.750	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1Cl	408870847	UVGGBIGLTXJWEQ-XZZBMYDMSA-N	533.481	5.013	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408873616	TXXUCPWQSUDVJO-QNKGDIEWSA-N	603.697	5.027	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c(OC)c1	408877215	UIAXILNIMQJZKE-ZVHZXABRSA-N	557.444	6.422	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2c(C)ccc3ccccc23)c(OC)c1	408882383	MXIQTKNBTLHHSQ-BUVRLJJBSA-N	511.021	7.497	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408884418	XAOUQBAZXTZHED-UXHLAJHPSA-N	517.969	5.521	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc2ccccc12	408885903	GOWXPDXOQIOMPL-KGENOOAVSA-N	517.810	7.380	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccc(C)cc1	408888158	XKEYVBINVNXRGF-LGJNPRDNSA-N	579.232	5.714	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)cc1)C(=O)Nc1ccc(Br)cc1	408888246	XVQYQWZSZRRMSU-QGOAFFKASA-N	512.201	6.336	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cccc2ccccc12	408900548	VZQGATGWZASKSU-IPPBACCNSA-N	666.684	7.045	50	40	KKGB	
COc1cccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1OCC(=O)Nc1ccc(F)cc1	408904137	FIWPTBXPHZCXAA-WKIKZPBSSA-N	529.366	5.078	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc(Br)c3)c(OC)c2)c(OC)c1	408922013	DIQBBUOCPQEVMB-UIGQDENISA-N	807.436	5.370	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408950267	GTGYLPIMCPJLSQ-NAWMDJKCSA-N	893.300	6.510	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2cccc3ccccc23)c1C	408954839	ZTNGLSLHHAXSHI-HKBQPEDESA-N	595.725	5.132	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1cccc2ccccc12	408956167	PTCDGXWPUYFTNQ-BYNBPCJISA-N	706.796	6.275	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)c(OC)c1	408957663	VJBMRZWCTGFCBS-VVYBVRPNSA-N	809.306	6.282	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408977408	DDZBDFMPQCHTJD-XSCNPWQVSA-N	606.520	7.193	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(I)cc1	408983910	OGAJBFRPPNCRMG-ZDLGFXPLSA-N	593.248	7.040	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc(C)cc1	408989794	MCSNFOYTEXYHHK-MYYYXRDXSA-N	501.026	7.209	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)c1C	409002138	MHRLQEDNLGIFRB-SDKVIJGTSA-N	654.574	5.355	50	40	KKGB	
Cc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1C	409019023	XUTNGFWCHWSHRN-BRJLIKDPSA-N	562.205	5.971	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl	409028871	RXZMEZNWUYXBOK-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409071258	QFAYLQNLGPLWBS-MHWRWJLKSA-N	551.835	6.359	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1	409071625	OTNGBYDDTPBCCI-MUFRIFMGSA-N	546.476	5.208	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCc4cccc5ccccc45)cc3)cc2)cc1	409114509	KIPCIRLORVVTJC-PPOKSSTKSA-N	563.679	6.316	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409119964	RKKAHPUERIMQAW-VFCFBJKWSA-N	514.047	5.091	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1)S(C)(=O)=O	409120025	SJOXAZKGFDBJPX-BIZUNTBRSA-N	542.705	5.750	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409167740	JNIVOKSPQIWYRA-VWJSQJICSA-N	576.959	5.254	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4ccccc4Cl)cc3Br)cc2c1	409187068	LNXHNPFEYIWZIL-MNDYBZJGSA-N	571.855	6.989	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2s1	409188952	LIZGNWIGKJGDII-BCHBDCPOSA-N	614.452	6.725	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)NC1CCCC1	409191834	OJSZUDIBKINROG-SXGWCWSVSA-N	541.216	6.143	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2ccc(Cl)cc2)cc1	409219168	JYCPXTQBDBPMNQ-VKZMPMKFSA-N	583.000	5.812	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1	409223120	GNQBENYXFMGCLV-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409253410	BGMICEFDARRTLO-MTJSOVHGSA-N	595.437	5.788	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccccc5)cc4)cc3)cs2)cc1	409258024	VSQZQEVXAOXGAG-APTWKGOFSA-N	561.667	6.644	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)c1C	409263347	MGIXBNPRRXYYGS-ZDLGFXPLSA-N	528.823	6.827	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3C)c2)ccc1OCc1ccccc1	409263941	ITERXDSUVWPRSY-UCMJSZAQSA-N	537.616	5.754	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409273074	VDNOKOSBWJHJBK-KMUKQRDJSA-N	605.720	6.961	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OC	409301007	BUKFYKKWEHRWJL-UHBFCERESA-N	665.322	6.369	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)ccc1OCc1ccccc1	409309695	LEVMBKDONSDZNH-HQDYHJHZSA-N	607.476	6.917	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12	409353999	WFCMUZCMVZQAOW-XODNFHPESA-N	587.259	5.619	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br	409384668	DMRBUWANKNKCTI-DEDYPNTBSA-N	534.410	5.638	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCC(=O)Nc1ccccc1	409394357	ZIKQWDTZXQDLHP-ZDLGFXPLSA-N	528.321	5.521	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(I)cccc4c3-c3ccccc3)cc2OCC)cc1OCC	409396409	PKQFPKVPRGYFDT-UHFFFAOYSA-N	717.560	7.619	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409396956	DINANAPWDABDCS-UHFFFAOYSA-N	612.480	6.906	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4cccc5ccccc45)c3)o2)cc1	409400798	FNCJZSAKMLZBBU-GKVNEZTPSA-N	569.661	7.762	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)o2)cc1	409403533	NHQWTHNGPUMMCU-KMUKQRDJSA-N	597.071	6.701	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409404880	RFIOEWXDIUTCEV-UNBWNHLBSA-N	672.960	6.785	50	40	KKGB	
CN([C@H](c1ccc(C(C)(C)C)cc1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)[S@](=O)C(C)(C)C	1857794961	ACQAWZGNHSXJLA-UERRLANESA-N	673.903	9.657	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1	935017	OOOZITRURIPGGG-IVYNLYIOSA-N	512.418	5.638	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1cccc(Br)c1	2177580	ZFCPXJQRNWUSQZ-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	3116266	OWGQHLLSLMXYMB-LQKURTRISA-N	532.350	5.423	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)COc2ccc(C)cc2C)c1	3143820	FNQWLAHTEMWWED-XODNFHPESA-N	590.268	5.585	50	40	KKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12	3230187	GKULCLQHEHBUMS-XBQJKBNESA-N	519.604	8.125	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3ccccc3)c2)cc1	6141817	YAAUILPICRTSRH-AJBULDERSA-N	551.628	5.113	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1[N+](=O)[O-])N2	6445675	SQGCIXUYPNCNFP-KBNSAFIFSA-N	561.041	5.189	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)[C@H](CC)Oc2ccc3ccccc3c2Br)cc1	8385192	CPCRKRYLEIMMSL-SPOANBKYSA-N	539.514	7.649	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccccc1Cl	32929267	CNRGUSXALTUYER-UHBFCERESA-N	509.002	5.919	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1	33354387	VTVKHGGODJBXOM-FIFHTESVSA-N	594.412	7.615	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Cl	35973882	VZEPAVHPUITXMS-XMMPIXPASA-N	587.036	5.284	50	40	KKGB	
Cc1nc(SCC2=C(C(=O)OC(C)C)[C@H](c3ccc(Br)cc3)C(C#N)=C(N)O2)c(C#N)c(C)c1C	53333514	JIPZSHPBUPWEOS-JOCHJYFZSA-N	553.482	5.447	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	58913464	OGGVBNKYELSTDY-OKCVXOCRSA-N	521.404	6.282	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1C	58915350	OLRQKISGGBPFHK-NDZAJKAJSA-N	514.651	5.133	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	59426532	FCVXEKXXPGXDPB-KBKYJPHKSA-N	509.187	5.502	50	40	KKGB	
N#C/C=C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl	68568683	KVMLHQMSRDTODS-ZPUQHVIOSA-N	513.603	6.901	50	40	KKGB	
COc1ccc(CC(=O)Nc2cccc(/C(C)=N\NC(=O)c3cc(-c4ccc(OC(C)C)cc4)nc4ccccc34)c2)cc1	97965848	YLUXWACNWCMZNV-SGFZWYBVSA-N	586.692	7.033	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	97972335	KFVJLWRGNLVXMV-GZTJUZNOSA-N	653.292	5.684	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1	100132235	WRBBFSUGNFYKEJ-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	100238507	BBRLIPZCYCQVLN-WUQZZNSYSA-N	545.463	6.334	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(OC)c(OC)c3)nnc2-c2ccc(Cl)cc2)cc1	100851996	NMHHZRSWOZXIHW-YKQZZPSBSA-N	566.083	5.636	50	40	KKGB	
COc1ccc(N2CCN(C(=O)[C@@]34CC[C@](C(Br)Br)([C@H]3Br)C4(C)C)CC2)cc1	100868634	AIDFITWLUCMQOE-MAODMQOUSA-N	579.171	5.030	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1	100988859	RJRPPIXSTZNHKZ-NFHYYMBESA-N	522.457	6.675	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1	101719584	YJNUIXANNAPMGY-DEDYPNTBSA-N	587.255	6.741	50	40	KKGB	
O=[P@]1(c2c(F)c(F)c(F)c(F)c2F)C(c2ccccc2)=NN(c2ccccc2)c2c(F)c(F)c(F)c(F)c21	102427809	IFCDSOSAMIYVCQ-LHEWISCISA-N	556.324	6.766	50	40	KKGB	
O=[P@@]1(c2c(F)c(F)c(F)c(F)c2F)C(c2ccccc2)=NN(c2ccccc2)c2c(F)c(F)c(F)c(F)c21	102427814	IFCDSOSAMIYVCQ-KXQOOQHDSA-N	556.324	6.766	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	102808732	JYLJIJHPMGIIFR-DEOSSOPVSA-N	554.619	6.473	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCCCC(=O)c2ccc(C(C)(C)C)cc2)N1	102808932	JHZYIVVSLNGWQD-JGCGQSQUSA-N	599.196	8.473	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	102896009	PLIKKJJWYMHJTQ-UWXVCKHVSA-N	536.679	7.084	50	40	KKGB	
CN1/C(=C/[C@H](I)[C@H](I)C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21	104344750	WGDGVGVLCQJFHK-LUJQZDOJSA-N	611.329	6.611	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1nc2ccccc2[nH]1	105433154	YSRSPSMKDUVANL-CXUHLZMHSA-N	554.198	6.639	50	40	KKGB	
COc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccc(N/C=C4/C(=O)N(c5ccc(OC)c(OC)c5)C(=O)c5ccccc54)cc3)c3ccccc3C2=O)cc1OC	150386584	CIXAYWXELMWFLY-KVNFMKTNSA-N	765.779	5.824	50	40	KKGB	
CC[C@H](c1ccc(OC(C)=O)c(C[C@H](Br)CBr)c1)[C@@H](CC)c1ccc(OC(C)=O)c(C[C@H](Br)CBr)c1	150481136	NCWYJFDRKYAOIS-ASDGIDEWSA-N	754.192	8.626	50	40	KKGB	
COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)c1	150504336	YPIXMHREXOAQJY-ZMGVVAQMSA-N	629.522	5.383	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@@H]1P(=O)(c1ccccc1)c1ccccc1)[C@@H]1ON=C(c3ccccc3Cl)[C@@H]21	169811330	YMVIZMMZCSLVDC-ZCNBNBOSSA-N	648.079	7.474	50	40	KKGB	
CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(/C=C/[C@@]13CC[C@@](Br)(C(=O)C1(C)C)[C@H]3Br)[C@@H]2Br	245204269	KCHBNJFXKOPVID-NMGWAUQTSA-N	616.026	6.115	50	40	KKGB	
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	267327591	MUWOVNLLXDFHQS-QUWBCMLWSA-N	987.224	11.659	50	40	KKGB	in-vitro
CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Br	408538438	MWLCCTHLMYMOKW-XDHOZWIPSA-N	520.265	6.394	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1	408538773	QQWMVJDXUHXMCW-ITYLOYPMSA-N	539.031	7.442	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OC)c1OCc1ccc(Cl)cc1	408540740	BGZNGYQRZFPQSW-XKZIYDEJSA-N	502.954	5.900	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1cccc2ccccc12	408540751	BNBPZUDAFLHLJK-QRVIBDJDSA-N	561.375	6.794	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(F)cc1	408543414	QYNTVAOQXJMKDB-JAIQZWGSSA-N	543.332	6.170	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1I	408548658	KQIUVYGAFSTNLE-GRSHGNNSSA-N	563.176	6.678	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(C)cc1	408579832	KFSZQLRLYKKSLI-WSDLNYQXSA-N	508.412	6.817	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408711802	LGYUUZZLUCRENX-LGJNPRDNSA-N	624.229	5.704	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408718935	WRMIEFSDNDSFIZ-HNWIUYLISA-N	540.285	6.620	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c2cc(C)cc(C)c2)cc1OC	408719925	PYHYAELETVTIKB-UZWMFBFFSA-N	573.671	5.459	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(O)(c1ccccc1)c1ccccc1	408747234	KUMOYTFMXCNHNQ-MBTHVWNTSA-N	510.333	5.548	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1	408755101	PRLYDVIZPREYBV-LGJNPRDNSA-N	555.479	5.319	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408765629	WVCNROGBNRGOQL-MTJSOVHGSA-N	586.313	8.008	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCc1ccc(Cl)cc1Cl	408775479	TVDHXEABANUDAM-OHUIHDMLSA-N	623.196	6.968	50	40	KKGB	
N#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408788070	ARUUDYQCZFVOTF-XDHOZWIPSA-N	614.237	6.081	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408791815	CWTYZUDGKNULED-RQZCQDPDSA-N	501.753	6.470	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc2ccccc2c1	408793314	DWVIOQWHANVXJV-MFKUBSTISA-N	541.445	7.434	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408823735	OQLMCHCQKXFKCQ-ULJHMMPZSA-N	604.526	6.596	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408834557	UPBBCSMHZMROTG-HZHRSRAPSA-N	652.770	8.569	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2Br)cc1	408842120	LZXYZJZCLVQSIB-IIHBXENTSA-N	682.360	8.011	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408843540	LYVLACWTGXZIEZ-MWBNBJEGSA-N	673.103	7.106	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408851086	HUIZVRLKNVPQKN-ZMFRSBBQSA-N	571.327	5.297	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)c1	408859704	PMSZIJSTJKYMJU-DPNNOFEESA-N	672.985	6.044	50	40	KKGB	
Cc1ccc2nc(Sc3ccc(/C=N\NC(=O)c4ccc(-n5c(C)ccc5-c5ccccc5)cc4)o3)[nH]c2c1	408859981	WOMWLZGBMPKIDP-MZFJOGFUSA-N	531.641	7.146	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408861730	CHVFTAHVSOUSFZ-HASSKWOGSA-N	682.446	7.430	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408863824	QJEYFYLYVVPTMO-DPNNOFEESA-N	640.531	5.830	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408868950	OLFYMEJDVIGZMI-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Br)c1)C(=O)Nc1ccccc1F	408870806	WXSGKXPBBQQWHZ-WOJGMQOQSA-N	514.192	6.487	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408872061	JUOZESKPANUTNQ-ZRGSRPPYSA-N	552.650	6.217	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1Cc1cc(C)cc(C)c1	408877055	PAJOTWQFAOPUCV-ZVHZXABRSA-N	517.467	7.164	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408880554	IGNKFJILEMSMNZ-XDHOZWIPSA-N	589.895	6.431	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OCc1cccc2ccccc12	408892483	BWLGQCBVLUJAKT-FYJGNVAPSA-N	643.308	8.275	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1	408894978	JYJDXOYSKUXYGW-LDADJPATSA-N	501.391	5.924	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1	408948384	RJISUVHXUWFEEH-BVMLUPFRSA-N	584.967	8.542	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1cc2c(cc1[N+](=O)[O-])n(Cc1ccc(Cl)cc1Cl)c(=O)n2Cc1ccc(Cl)cc1Cl	408973245	ACJUTGNMBSZODT-WYMPLXKRSA-N	786.459	10.163	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1	408977047	CMYNMXRVVMCMKZ-DRQPSCMVSA-N	603.311	6.118	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408977948	GFHDJGFPALHRDP-PIMODXEOSA-N	595.527	6.557	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408984031	PJSWRGLDRLBHHW-NVMNQCDNSA-N	556.800	6.452	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)OCc4ccccc4)cc3[N+](=O)[O-])sc2c1	408991731	PBRLCTUMYMTQQT-HRYIHZIASA-N	734.820	6.627	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)c1	408994225	YFBAWVSADBJJQJ-MHWRWJLKSA-N	517.548	6.118	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc(OC)c1OC	408995865	FJBIKSNVBBRXMK-FABQOPTDSA-N	646.494	6.019	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)ccc1OC(=O)c1ccco1	408998713	BWJLKFIVNJSQDD-GMBCMHDDSA-N	523.545	5.313	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	409004213	BEZFRYFKDMNHJN-MIPPKSMQSA-N	582.012	5.900	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	409012553	IVHKHNFILXCHPS-HISWNZLWSA-N	599.515	5.459	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)cc1	409043652	SQOWZCNHGNDDGY-YBFXNURJSA-N	604.320	6.450	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1	409085117	YKJZYOHDQIVMDX-RIYZIHGNSA-N	611.168	7.477	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409115497	MRGCKGGHPSELSC-LQKURTRISA-N	514.047	5.090	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)cc2)cc1	409116450	KGVJDICIZXYYBZ-KBVAKVRCSA-N	569.514	6.298	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	409134655	WZKVKOLYJOCITK-RWPZCVJISA-N	547.902	6.631	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409135559	QJANTUGUCKSDSG-AREMUKBSSA-N	566.496	5.419	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O	409137455	XKCRVCYPLISSKW-VWLOTQADSA-N	581.467	5.319	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409146697	SLBAOEBSNXJWJW-ORBVJSQLSA-N	709.105	6.203	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409184416	LBGKXXHWECXJTR-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409210546	JJSXFNFBFWNRRM-ODLFYWEKSA-N	524.327	6.307	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)c1	409219728	PLWFKSIQOFUWIW-UHFFFAOYSA-N	669.757	7.409	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccco1	409224867	NENDIAWXQQNZGF-UHFFFAOYSA-N	511.534	5.222	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)/C=C/c1ccccc1	409225569	RBUBTICZCLORSQ-JKDNYCPDSA-N	568.029	6.374	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409312285	KJCFKJJRKLLWOG-VYYCAZPPSA-N	650.382	5.470	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1OCC	409319837	MKXYPCAONGHYBS-LQNQUEJISA-N	553.453	6.073	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OC	409324515	TWIZTVCSGOXKMI-BVMLUPFRSA-N	610.332	7.295	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OC	409330861	BRTCDHFADYBQCK-UHBFCERESA-N	667.338	6.593	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)ccc1OC	409336412	SECIGYOMGSPXLS-MUXKCCDJSA-N	578.378	5.189	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Br)cc1	409350776	SDXVCFIHYYERNG-UVHMKAGCSA-N	658.128	6.558	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1OC	409361714	HUWCLZXTASOVBO-LQNQUEJISA-N	533.422	5.891	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409364221	NPHPDABTYWEACK-XODNFHPESA-N	561.820	5.551	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCc1cccc2ccccc12	409378155	MTTZJZYRJMAYQJ-OYKKKHCWSA-N	544.449	6.676	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394723	FCGLNQLLSXKYNA-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccco1	409394897	HEDXTJKZFHJYKB-UHFFFAOYSA-N	686.154	7.699	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396681	ABTGPVYXPIEOEJ-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409402652	KKGUGFZMROOLIZ-FFKGLWRNSA-N	672.609	9.043	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F	1529549162	UBFRNRCZYHXQJN-AYSITGFNSA-N	645.540	5.597	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1Cl	1531386394	BABKKJIQXQNWRO-KMUKQRDJSA-N	584.072	7.271	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1	1790758	KEPOQZKEVLMGSN-CKVBZJJFSA-N	573.299	6.821	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(F)cccc3Cl)n2-c2ccc(Cl)cc2)cc1	1824317	QVTSHVDOKPFUHY-XODNFHPESA-N	514.413	5.931	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1	2888320	NIHMRBKPSUPJDZ-FYAMCCBRSA-N	506.002	5.264	50	40	KKGB	
O=C(CCCl)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@H]1c1ccccc1	6446794	QJZZYMGDGNXTJA-QHCPKHFHSA-N	534.841	6.264	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccc(Br)cc1	59104286	NNXQTGYSZLRIOL-BHGWPJFGSA-N	509.629	6.036	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	59304546	FXKCDVJYWZINSL-FMFFXOCNSA-N	507.037	7.278	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	59857427	RYEXFSWXKOKLGH-OVVQPSECSA-N	548.890	5.455	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)cc1	97964223	HSPYIHPZSQRITI-RFQQMUKXSA-N	665.180	5.667	50	40	KKGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1	97980917	CRAHLYONVLGEJM-CRBQXDPASA-N	541.677	5.533	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cc(Cl)cc(Br)c1O	98045818	PGOXQAHHVXQPDV-YJDIGNJUSA-N	711.811	6.236	50	40	KKGB	
C/C(=N\NC(=O)CCCCCCCC(=O)N/N=C(\C)c1ccc(Br)cc1)c1ccc(Br)cc1	100035951	VQKWVEICKSJSDS-UOSOPFLXSA-N	578.349	6.323	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1cc(Cl)cc(Cl)c1	100117396	BAKIQYPMUQITAV-VYVUJPJFSA-N	531.749	6.162	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240910	WSWHECYAJMTWCR-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1	100360506	SFPXFXQXCZULPW-HYARGMPZSA-N	543.417	6.744	50	40	KKGB	
Cc1ccc(S(=O)(=O)/N=C2\C(Cl)=C(Cl)/C(=N/S(=O)(=O)c3ccc(C)cc3)[C@@H](Cl)[C@H]2Cl)cc1	100815323	KJVBAWAOJCRNGK-VSMAKBASSA-N	554.304	5.181	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(Br)c(C)o2)cc1	100955941	BUOLZNXNYHOGMZ-OKCVXOCRSA-N	600.922	6.472	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	104402985	RLHRHWMEAOGZCV-RWPZCVJISA-N	531.834	6.243	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1Cl	110261466	HUUOHKDJBJZAMS-IBBHUPRXSA-N	619.286	7.032	50	40	KKGB	
Cl[C@H]1COc2cc(Br)c(Br)cc2OC[C@H](Cl)S[C@H](Cl)COc2cc(Br)c(Br)cc2OC[C@@H](Cl)S1	150341657	CODOBWGRZBMPCE-XLLXOSNRSA-N	845.906	9.692	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	162437578	XGJIPODRLPBIIF-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	164650662	OLHRZZNUPCOCAR-ALQBTCKLSA-N	717.476	7.439	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(OCc4ccccc4)c(OC)c3)cc2)cc1	408539473	WMSPTOYARCVNBU-ZXVVBBHZSA-N	534.612	6.798	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)Cc3cccc4ccccc34)cc2OCC)ccc1OCc1ccccc1	408540459	SCLZULHYYAHFLO-KDHRXPGNSA-N	667.600	8.251	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c(C#N)c1C	408546924	OWHDCGMDTDGYCX-UDWIEESQSA-N	572.484	6.589	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408609451	JTGKZKSOKQERMH-OKCVXOCRSA-N	544.435	5.849	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408646174	TWJCEJLGIMSXQN-KIHHCIJBSA-N	782.225	6.283	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408681746	IPCSVBIEJVTGKZ-FZDBZEDMSA-N	634.108	5.381	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccccc5)(c5ccccc54)[C@@H]3C2=O)c(C)c1	408729151	ATLRYQGFUCARDZ-OHXIEAONSA-N	525.608	5.270	50	40	KKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3cccc(Br)c3)c2-c2ccccc2)cc1	408732236	PTVGLENWHGPZCE-ZXSNDDASSA-N	578.466	7.124	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(I)cc1	408744557	FYLXQBXOHFVDFZ-ZHZULCJRSA-N	554.384	5.823	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(OCC)c2)c1	408744952	IRBCXSUJXFZSGQ-STZFKDTASA-N	568.411	6.213	50	40	KKGB	
CC1=CC(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1	408747291	LRJBMXYTXJQSPW-MKOZVTOYSA-N	525.446	7.477	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1cccc2ccccc12	408755849	NKDHCAKONCEIPU-HZHRSRAPSA-N	574.418	6.968	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1	408761581	GXEIXJBWXYMLOP-HMMYKYKNSA-N	548.393	5.189	50	40	KKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1OCc1ccccc1	408762237	DIFMPGJMJOORMA-UYRXBGFRSA-N	510.331	5.424	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(I)c1	408785049	FOPZMENJLKTOCO-OVVQPSECSA-N	595.890	5.297	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1cccc(F)c1	408787705	FDKPQINFFUCVFR-XDHOZWIPSA-N	525.374	6.120	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408792759	CAVSCDCMHVAGEO-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1Cl	408796827	ZGTUTPIBQLDDLO-UDWIEESQSA-N	596.706	8.143	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408797633	STDCMVCRRDVDBK-UDWIEESQSA-N	551.393	5.679	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1	408802541	YOTCRICUPVUVTO-HAVVHWLPSA-N	521.529	6.049	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c1Cl	408808995	GZRZINHFIPYIQV-FJEPWZHXSA-N	539.419	6.678	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)c2ccc(Br)cc2)c1Cl	408812108	BELLNEMSFNKXBQ-SDNWHVSQSA-N	506.183	7.333	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccccc1F	408817186	XGYLFJHZPRKNHV-WQRHYEAKSA-N	513.338	6.251	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	408825467	AOZJDBHRQREATA-OKCVXOCRSA-N	620.953	5.638	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408839663	VGLMQECUFFZJJF-ROPCREHHSA-N	722.917	7.369	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccccc2)cc1	408839817	APBDAEOGZLGVIO-FJEPWZHXSA-N	510.541	6.177	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408840306	ALBXXFQSBMJRFX-IBBHUPRXSA-N	622.884	7.146	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408840849	CGWLSWBIJCRDLA-OAQMXIGCSA-N	747.638	9.274	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408840904	DAQXNCNFSQNAED-IBBHUPRXSA-N	623.529	6.339	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842064	IFZPUZKAULBTBX-VTNSRFBWSA-N	584.057	7.458	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408848224	UVXSMICUBDPWQT-ZZWNKLDXSA-N	638.145	7.897	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408858151	MXHPWXGERWPDPG-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408862694	HMMWJXGDKKEHHZ-MUFRIFMGSA-N	651.377	5.439	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1	408867812	MAFVULHCCOIVRP-FNPFAXKTSA-N	534.237	6.507	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1	408875898	MGTVKICCYQFBLY-XKJRVUDJSA-N	605.864	5.445	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	408883288	SMWKJURYAYIYIA-DEDYPNTBSA-N	602.450	5.484	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OC(=O)c1ccc(C)cc1	408897566	YFZBKPVYEJILPU-XICOUIIWSA-N	558.719	6.996	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408953174	WXCXTMZFDNKGPB-HHHXNRCGSA-N	740.891	6.873	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc(F)cc2)c(OC)c1	408956198	PVGLJANDTUPXCL-VOSMKULASA-N	842.400	5.343	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)c(OC)c1	408957644	VIEHSGZZULKAPK-PSKHIPHFSA-N	622.678	5.148	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1cccc(C(F)(F)F)c1	408963021	LLCPGJSQXCSZHI-KVSWJAHQSA-N	603.176	6.415	50	40	KKGB	
N#C/C(=C\c1ccc(SCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	408989948	JLWQSYXKFZMQNC-FYJGNVAPSA-N	505.559	6.419	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409039615	CTLZBHNAFJSNIS-FYJGNVAPSA-N	595.437	5.870	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)c(Br)c1O	409043031	ZAXDUZFQNLIIQC-WKIKZPBSSA-N	555.226	5.905	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409068929	KLNHIRFGLNUOKC-XMHGGMMESA-N	543.428	6.044	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079578	KZXASSOHPGUBDY-WOJGMQOQSA-N	557.912	7.342	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409085995	PNXSZFFVNUSLTD-RIYZIHGNSA-N	583.298	5.849	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409092703	WCUHWWQPAJCKTJ-QDTIIGTASA-N	583.253	6.648	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Br)cc1	409131938	ZEQFUIFXWRAZEI-QHCPKHFHSA-N	634.312	5.761	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C	409150336	BOPFETLWUWWGOM-IBBHUPRXSA-N	615.912	5.478	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1	409167175	HNAKSUGQFFRFLD-AMVVHIIESA-N	622.303	5.651	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	409178999	MKBAJHXZRFMBSL-BHGWPJFGSA-N	672.173	5.055	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409209963	HHLVAOJILJCLAE-WQRHYEAKSA-N	561.173	6.605	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl	409213801	TXONFXCKJSCEJO-KKMKTNMSSA-N	509.842	6.477	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc(OC)c1OC	409223695	HQZZKYNONBGTJX-WGPSHSQHSA-N	648.499	6.654	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccccc4)c(OC)c3)c2)c1	409224975	MXGSSCKTSKCTEA-GGZKIVSASA-N	549.583	5.339	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409229359	NXADLOWNHSWBJE-HMAPJEAMSA-N	584.308	6.455	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409229578	RJYJZGNYXWKBBX-YVLHZVERSA-N	606.370	6.569	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1ccccc1	409231526	JQGUUDPAPZDKSR-IWEBCOIVSA-N	558.245	6.714	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)cc2Br)cc1	409247846	CZCOPAODEFMSLN-KBKYJPHKSA-N	578.330	5.748	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409257754	PZUUSWBAHAEUJX-YLYVUXRMSA-N	786.479	8.564	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl	409260967	ZCHLOTJXOHTDMX-OQLLNIDSSA-N	624.116	7.082	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409261368	AVPWOWCLOYKSJT-VXLYETTFSA-N	617.827	6.642	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409263210	LPTJFLPUGQFGJS-YDZHTSKRSA-N	532.040	6.536	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1	409265349	HSGNNLBVJPUQFY-KGENOOAVSA-N	534.012	6.009	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(Br)c2)cc1	409271110	JVZPVYRJQZXKOV-YBEGLDIGSA-N	619.697	6.437	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)ccc1OCc1ccccc1	409315636	JMBHCJUZNKORLV-FZPRHHONSA-N	622.903	6.472	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	409333383	OTVLBGFRRISNHW-APTWKGOFSA-N	609.100	6.166	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409372983	UTYYXRSWEDOMAY-ZDLGFXPLSA-N	536.196	7.250	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	409373127	MDYVZBNGQPHMPD-AMVVHIIESA-N	602.710	7.370	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409385352	HXJBOWCZJMOLJJ-FJEPWZHXSA-N	573.329	6.316	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(C)=O	409394742	FHOQXQDTWQPAIE-UHFFFAOYSA-N	660.908	7.168	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409394807	GCTAYWLBTXEMOO-UHFFFAOYSA-N	600.400	6.448	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409396860	CBWWXVJNUQIGSK-UHFFFAOYSA-N	597.285	8.432	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409397267	ICBXEALELZGQFZ-UHFFFAOYSA-N	590.836	7.373	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398927	WNPULHUCOPBOFN-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc2c(c1)OCO2	409398959	XAYALOLAHFAJFZ-UHFFFAOYSA-N	572.404	6.854	50	40	KKGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409399969	APLAJMRFJPRIND-CAQPMQTCSA-N	637.474	6.045	50	40	KKGB	
C=CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409401828	IGKHSVUZHLFJDO-IPHFVPNQSA-N	562.670	7.002	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccccc1Cl	409405267	SMQGPISUGJXMAL-WBIBEUCMSA-N	614.098	7.280	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OC(C)C)c(Cl)c3)o2)cc1	409406070	VYLLJTVQRIJIQC-BVMLUPFRSA-N	540.447	7.124	50	40	KKGB	
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2cc(OC)c(OC)cc2Br)cc1	1082044	HVOWACBDIFODHS-PUAOIOHZSA-N	509.400	5.360	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1OC(=O)c1ccco1	1434016	JDXDTQSSLFBHFR-VULFUBBASA-N	522.311	5.016	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(NC(=O)c2csc3c2CCCC3)cc1	2626602	UFPOOMGDBSJJJX-VWJSQJICSA-N	537.563	6.922	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(F)c2)N1	6444320	GBTPCTHLIVIKBM-VWLOTQADSA-N	518.639	5.902	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1	9909888	HAJFEVCWCQYDMK-JSIHEXFSSA-N	504.409	5.514	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	12250451	HNSCBUVDHBZUMA-HHHXNRCGSA-N	512.635	5.911	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccccc1OCc1ccc(Br)cc1	13595302	KYMXEBAFKAUMLE-QFEZKATASA-N	502.206	5.483	50	40	KKGB	
CCC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1	49543180	HNLMHAUNUCSDSQ-NMRLTNCUSA-N	549.678	9.503	50	40	KKGB	biogenic
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	59856316	HUAQLYLJGCTNCM-KBVAKVRCSA-N	562.047	5.537	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1Cl	97951279	AOXQEZXNZCYVBK-SANMLTNESA-N	536.484	7.270	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc(I)c1OCc1ccc(Cl)cc1Cl	97959661	LGCJHTDBYVZJRI-CDQBHCOYSA-N	712.368	6.209	50	40	KKGB	
O=C(N/N=C/c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2)cc1)Nc1ccccc1	97984922	OZKLUQOFQLAQCL-FURHFVJVSA-N	594.628	5.155	50	40	KKGB	
CCCCc1oc2ccccc2c1C(=O)C1=C[C@H](I)[C@@H](OCCNCC)C(I)=C1	100016908	KIFXWKABTAJKBU-GAJHUEQPSA-N	619.281	6.015	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1	100065272	WLXYVVLKESTSIN-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4c(C)cccc4C)c3C)cc2)S(C)(=O)=O)cc1C	100119731	JHARDQHWIHEDNX-HNSNBQBZSA-N	556.732	6.058	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1ccccc1Cl	100231678	YNXICOCVPAIGGY-JLRFWPKBSA-N	566.867	6.199	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H]([C@@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1	100394268	JLYYHAXYIRGYLC-DXSZVSTRSA-N	609.358	7.087	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2cc(C)ccc2C)cc1	100956073	XRHHJRTUFFLTGN-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	103754252	CGPOHXZCBOHCTE-FJEPWZHXSA-N	568.636	5.679	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=C\c2cc(/C=C/c3ccc(N(CCCl)CCCl)cc3)nc(/C=C\c3ccc(N(CCCl)CCCl)cc3)n2)cc1	150368039	ZWBYOFJBKIWIFV-IIIMTAFWSA-N	806.537	10.840	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	150452883	AZIUZEHFCHCZRS-XZYGTATASA-N	665.603	5.544	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c2ccc(C)cc2)cc1	211059763	IJHFBYRNZJUGGX-PPOKSSTKSA-N	605.116	5.645	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(C(=O)O)cc1	408545211	ZYPQBGJXAFHUHB-NVMNQCDNSA-N	503.179	7.097	50	40	KKGB	
N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C(=O)Nc1ccc(Cl)cc1	408553401	VZIJEIYVEBSGDU-YBEGLDIGSA-N	500.769	6.210	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408581035	SVTUDGYLLCNYQJ-VCHYOVAHSA-N	524.327	6.829	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc2ccccc2c1	408598626	GJWDXSNAASIYSV-IPPBACCNSA-N	528.233	7.252	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1Cl	408598717	JFWKXLUFIBJRFG-OKCVXOCRSA-N	543.889	7.142	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)cc1Cl	408601869	CAKOVZACYDUFAL-MRXNPFEDSA-N	518.372	5.216	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408652897	PCGUMWUDKWYFAX-YPMIVSHASA-N	622.741	5.137	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408653337	PNJVJEXTVQHKSV-ZTTYKKJNSA-N	759.791	5.485	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)NC1CCCCC1	408725084	DYMGCXAFUTVMFS-LICLKQGHSA-N	646.694	6.484	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)c1	408744881	HYKXILXRSMJSEZ-ZDLGFXPLSA-N	729.150	7.182	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)ccc1I	408746512	DYGIRUCWDZJOSN-LUOAPIJWSA-N	816.997	6.614	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408748021	XDACUNNSFILETO-CHHVJCJISA-N	706.987	8.248	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2Cl)c1	408755452	UZLCCVKRVGYRSZ-NVMNQCDNSA-N	516.222	7.189	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408766044	OEMJRUYGSGPODW-JAIQZWGSSA-N	597.263	6.973	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(I)cc1	408789306	ITRAXLUMCHUAKE-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408789331	OUBZEGHTKZWQRQ-FYJGNVAPSA-N	539.415	6.693	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1ccc(F)cc1	408789417	QBOVNUZVHVDOJD-FYJGNVAPSA-N	523.402	6.674	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccccc1C#N	408790237	OCYGOWAWOIHVIX-VXLYETTFSA-N	504.340	5.160	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)c1	408792973	CKVGKLULZQXADP-ZMOGYAJESA-N	684.315	7.791	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408795862	NIYDPBWOZJPIIR-GZTJUZNOSA-N	514.294	5.261	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408797689	SMMSTLBGQVBAJN-KGENOOAVSA-N	564.379	5.436	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Br)c2)c1	408798353	DSQMUUANMKPONL-BUVRLJJBSA-N	525.446	7.652	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2I)c1	408799121	XWTLYMMOFNFQFS-SRZZPIQSSA-N	648.282	6.946	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408799428	ZAWNCNLIYPOZMT-RQZCQDPDSA-N	524.327	5.196	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	408803941	VBQBYPKWBNEUJY-CXUHLZMHSA-N	524.786	5.986	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1c(C)ccc2ccccc12	408805578	GXDUTUALOFNLKF-PXLXIMEGSA-N	527.418	7.044	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cc(Cl)cc(Cl)c2)cc1	408830793	SVMGAZFGUYXGAU-KVAAJVFYSA-N	659.979	6.318	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(F)cc1	408832122	RFKWWQKVRZYEPO-LFVJCYFKSA-N	542.994	7.191	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCc1ccc(C)cc1	408834738	VUWMEUQFQJAQFY-KEBDBYFISA-N	585.882	6.952	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408836088	YVMJPQQRVYZSLS-OEAKJJBVSA-N	563.868	8.350	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408842377	OIIZXTMSRNKPCW-FABQOPTDSA-N	654.558	6.138	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(C)cc1	408844730	PFHIATRRGXAUSI-VWJSQJICSA-N	554.594	6.494	50	40	KKGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408859222	RCCCJMKKUWKCPA-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408860074	RPAAMXQDKYDZGV-KNBZMSCYSA-N	795.224	6.986	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408860954	JJEHJBJXOUYQDX-KCSSXMTESA-N	623.087	5.490	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OCC	408879703	DWSPXLGSWOSGNR-LDADJPATSA-N	504.368	5.587	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OC(=O)c1ccc(OC)cc1	408879867	FUQJIFDQJSCUIY-LZYBPNLTSA-N	682.254	6.678	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(OCC)c2)cc1	408886030	CWQURYZXOXZWIG-RCCKNPSSSA-N	521.411	6.371	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Br)ccc3ccccc23)cc1	408886279	JMQOPNUECSFZHB-CJLVFECKSA-N	541.401	6.514	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1	408887666	QFTPJSRQUPIHOC-LTGZKZEYSA-N	506.580	5.106	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1Br	408890041	MYNKDCWOABIQRD-BJMVGYQFSA-N	504.993	6.073	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1	408893880	GQMHJQULWPGTCR-LDADJPATSA-N	532.465	5.026	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1	408895348	MJWGHLMDRXKUQR-DHRITJCHSA-N	526.437	5.520	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(C(=O)O)c1	408942729	LBGOJXHBCNKPAR-WKIKZPBSSA-N	523.339	5.245	50	40	KKGB	
O=C(N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cc2cc(Br)ccc2o1	408945307	NYWCAWXEQXKSEU-MNDYBZJGSA-N	517.354	6.831	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OCC)c(OCc2ccccc2)cc1Br	408946380	MOFZLHUHQGSCOK-SSEXGKCCSA-N	681.609	5.312	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccc(F)cc2)c(OC)c1	408947196	AUNFAVCXUPJEGJ-VOSMKULASA-N	795.400	5.501	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408948362	FSEZBRZPVGPCDW-JJFYIABZSA-N	515.400	6.191	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc(Br)cc1	408950042	GHLBFZLZSMPLLG-LRSBSUGWSA-N	611.318	6.308	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2)c(OC)c1	408957770	VVEWBJFNDYYRJI-CKRMDNAKSA-N	641.508	5.301	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccc2ccccc2c1	408967428	QORXMPMKWKBILT-IBBHUPRXSA-N	579.369	5.807	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1	408975054	JDRPPXCGJPXDIT-GUBAARJWSA-N	574.080	7.454	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)COc3ccc(Br)cc3Br)c2)cc1C	409012311	QJBYDNGQQUGRLG-QDTIIGTASA-N	589.284	5.375	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409016923	LTSOHMYBBLHLAI-MNDYBZJGSA-N	534.956	5.303	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc(Cl)ccc2o1	409024470	TXKBARXZYKYSDW-DANHRZQXSA-N	725.535	7.945	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)Cc2ccc(Cl)cc2Cl)cc1	409057876	LPWZMGXYAVSDDJ-KVSWJAHQSA-N	559.302	5.950	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409069144	CDBUEJAXLYBENN-YBFXNURJSA-N	519.351	6.330	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1	409089302	IHTKNTJCPMEOAQ-LICLKQGHSA-N	537.326	6.220	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl	409116392	PHCBHVNGVJCSFO-KULFSUQXSA-N	736.030	7.195	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	409118053	SEDQRPIPAGFLKI-OHUYPAJKSA-N	600.487	7.941	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C	409164451	IRBHLONHVQEZSR-VVEOGCPPSA-N	605.848	5.055	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCC)c(I)c3)cc2c1	409187216	NNOSOKNLSUDNKW-KSEXSDGBSA-N	557.182	5.361	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1	409223780	HPYVVGSFWNNSNF-CPNJWEJPSA-N	554.430	6.354	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)c2)ccc1OC(C)=O	409227340	XTYBYRBWAFDOSP-UHFFFAOYSA-N	660.477	5.627	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)cc1OCC	409310736	CRMMKPOIISFGNK-AQLQTECXSA-N	657.186	7.825	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409310856	WZVTWTVOHLSXSY-LEWJYISDSA-N	568.866	5.155	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1OC	409322919	LUAWVTODKFJISA-DBFSUHOCSA-N	582.329	6.340	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OCC)c2)ccc1OCc1ccccc1	409361669	CVKGNSDGQBEUDU-WBIBEUCMSA-N	664.528	6.746	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409362271	ITGRBBLVMHJUHZ-NDENLUEZSA-N	513.229	7.253	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1	409363821	NWIYMRDLDBCHOG-LDADJPATSA-N	523.948	5.450	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1	409364419	PLQZDJLENNQUAL-MNBJERMJSA-N	531.450	6.445	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409391020	GXNZDRXLMUDCIZ-IUXPMGMMSA-N	573.274	7.683	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1I	409391618	KFERALFHAFMEEZ-RPPGKUMJSA-N	613.237	5.398	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409394852	GSCUVWKUBCWAFF-UHFFFAOYSA-N	731.814	8.567	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(OC)c(OC)c(OC)c3)[nH]c12	409395172	KPGOUMRLRQMVBR-UHFFFAOYSA-N	735.429	7.931	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)cc1	409395657	QJJPDDAWRNTVAC-UHFFFAOYSA-N	773.219	7.956	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409396014	VGJKSVOYSKIZIY-UHFFFAOYSA-N	606.944	7.398	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396164	DFZHNTNLZJJBPP-UHFFFAOYSA-N	671.364	8.839	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397923	PNIFOWSICIVJHC-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1F	409400427	DBGSSSILDXSZNW-CVUIAOGPSA-N	738.010	8.001	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(Cl)cc1	409402420	KCNOMTABYPLMQZ-ADJDCTSUSA-N	741.864	8.796	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409402933	LKLLVJVRQDQBAU-KMUKQRDJSA-N	624.650	6.534	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4)c(I)c3)o2)cc1	409403255	MINCUBOHEWDADZ-FZKWRIDDSA-N	645.497	7.214	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)o2)cc1	409403817	ODINBUPUWIHRQL-APTWKGOFSA-N	564.598	6.517	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12	1529548388	FDXCOOKZZCMJLC-ACKQVUGPSA-N	643.165	5.957	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1	1529548405	FSBXJWGWDHOSOC-NZBLFOEUSA-N	716.054	5.965	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1cccc(F)c1	1529549193	UWTHLKUELRSTSS-YLDRGEGNSA-N	660.768	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1F	1529549416	YMCMOCHJTIJZLO-JYALLGCPSA-N	655.546	5.052	50	40	KKGB	
Cc1n[nH]c2c1[C@H](c1ccc(OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)cc1)C(C#N)=C(N)O2	1097789	CIBBOZMAVATUCA-HXUWFJFHSA-N	522.348	5.426	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc(Cl)c(Cl)c1	1896046	QFTVTZREKJMOER-GZIVZEMBSA-N	503.889	6.033	50	40	KKGB	
CC[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	1947232	OCVMLZZIOKMTLS-MNPVBQOISA-N	534.046	5.021	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1	2096667	MVMWNRYZFUEMGT-QXUDOOCXSA-N	586.681	5.433	50	40	KKGB	
CCOP(=S)(OCC)Oc1nc(-c2ccc(C(F)(F)F)cc2)nc(C)c1Oc1cccc(C(F)(F)F)c1	2153985	DNIHVNPJHWFNMP-UHFFFAOYSA-N	566.460	7.958	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1cccc(Cl)c1Cl	2706433	FZZZXEAIFXNJDC-UVHMKAGCSA-N	561.292	6.246	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc4ccccc4c3)n2-c2ccc(C)cc2)cc1	9009027	SFMJJFCPOBGRIO-YQYKVWLJSA-N	521.646	6.037	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccccc1F	13940578	VHDFFPKPKPNMOR-WKIKZPBSSA-N	500.386	5.623	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	20347878	ULLYGRDKPRTGNI-SANMLTNESA-N	514.676	6.072	50	40	KKGB	
CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C(C)N1	20347915	WGDSWVRYHRRCLA-VWLOTQADSA-N	510.059	5.381	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	20348551	KKFMBNUHGTUIKI-DEOSSOPVSA-N	510.015	5.146	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	20764814	BTBAPKHNVBYTGL-IPPBACCNSA-N	521.828	6.787	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@@H]1c1cccc(OCc2ccccc2)c1	33354130	XBBVNVISAZTBKB-NDEPHWFRSA-N	564.667	5.438	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1OCc1ccccc1	97944160	WKQRUNSKTDCWRH-HPNXWYHWSA-N	605.764	7.062	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1	97951258	QPFKAEOIDPYECC-XMMPIXPASA-N	508.043	5.786	50	40	KKGB	
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)N/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3	97966354	WUUQHQSTBUJMTE-IZYHBKOJSA-N	637.559	7.623	50	40	KKGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	100026636	ULIOBTCOCMVDFC-YSURURNPSA-N	542.611	5.663	50	40	KKGB	
CCSc1nc(-c2ccc(Cl)cc2Cl)[nH]c(=O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100953706	OULZINFLINDKEA-UHFFFAOYSA-O	562.482	6.475	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	105445776	AHLBYIPZNHCAIY-QNKGDIEWSA-N	571.699	5.627	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(=O)c1ccc(OC)cc1	105984810	VSFPHXNSPXAGTA-QGOAFFKASA-N	535.350	5.009	50	40	KKGB	
CC[C@H](Cl)COP(=O)(OC[C@H](Cl)CC)[C@@H](OP(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC)c1ccc(Cl)c(Cl)c1	150385751	LTNOIMLGRMWAQH-FCKULIGBSA-N	699.200	10.446	50	40	KKGB	
Cc1noc(NS(=O)(=O)c2ccc(/N=N/c3cc(/N=N/c4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3OC(=O)C(Cl)Cl)cc2)c1C	150393441	OPNGCYBHSAUFRE-NIOMPGPNSA-N	937.628	9.933	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408538600	AGJQNKILTBDSGF-RSEYIHLLSA-N	660.767	7.994	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	408540050	MGCKEBKSCCBJAX-NHYZDEDTSA-N	625.604	8.329	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(C)cc1	408553845	PWACAQQMHHFBCO-CIAFOILYSA-N	576.516	7.093	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OC)c1OCc1ccc(Cl)cc1	408568609	KPZTZGINHNFBFE-KBVAKVRCSA-N	569.148	6.664	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1O[C@@H](C)CC	408570833	ZBNPVQKIBWZWAR-HEOQCTJZSA-N	509.093	5.924	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Cl)c(Cl)c1	408585423	DFZPTHZXIVZVAZ-MTJSOVHGSA-N	509.230	8.552	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(Cl)c(C)c1	408605020	KHWQDCBZQHQYKF-FYJGNVAPSA-N	515.013	6.622	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408644736	RPIFZMKQLDSKIT-KKKDIUQISA-N	679.620	6.153	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408652105	OJOMYZZJJXWZES-PWNYLBOHSA-N	643.159	5.320	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408676445	ISNBAVIDJXPXPL-LQKURTRISA-N	512.835	6.046	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1ccccc1	408683932	NSYRPCXAAGUBSX-XNMGPUDCSA-N	528.402	6.483	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1ccc(F)cc1	408710829	NVSWJYUYRDHPII-XODNFHPESA-N	535.797	5.992	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408759133	YHUOQRWCMJNYRD-HASSKWOGSA-N	611.743	7.573	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl	408768144	UBFXGEFFPUIBGY-LGJNPRDNSA-N	526.829	5.001	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408772055	MVHWKWQCGICJKD-STZFKDTASA-N	613.350	7.191	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc(C)c1	408788685	FHCSBRWYRBSITF-CIAFOILYSA-N	538.385	6.041	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(C(=O)O)cc1	408793487	FBDAREKYHMITPC-WSDLNYQXSA-N	549.421	6.288	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1cccc(F)c1	408794046	HPJAHGFKAYCACJ-MFKUBSTISA-N	601.472	7.691	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1	408795307	KUFBZMQSGJYELG-XDHOZWIPSA-N	509.331	5.499	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408798548	VPHZGFOITYPJTE-VIZOYTHASA-N	526.634	8.078	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(C(=O)O)cc1	408812112	BEWUYYMUBQJOHJ-ODLFYWEKSA-N	586.357	5.652	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408813231	OVPSGXBSRQARPN-OJYCWLPVSA-N	639.506	7.475	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408818924	YWKQHSSIBVYBMJ-FXMZOFOKSA-N	685.992	7.826	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)cc1	408826938	DSAWANPTKRQSCP-DZTJYMNTSA-N	632.742	6.497	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408831062	GXWUCPYJNFGYTO-SSDVNMTOSA-N	768.262	10.007	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1cccc(F)c1	408838568	GELHETNDJZUTOY-IZYHBKOJSA-N	659.581	8.505	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1cccc(F)c1	408838904	JYFWUXAKMJEREO-QNVXDBMFSA-N	665.972	8.460	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccccc1	408839729	VWCXGFKGARNVNH-DPNNOFEESA-N	576.436	6.628	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	408853657	WAZFZTICYALIEJ-VULFUBBASA-N	532.232	5.953	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(C)(=O)=O)cc1Cl	408861355	QUUYGXKXHYFAJH-OCSSWDANSA-N	536.053	5.297	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3F)c(OC)c2)cc1	408871678	ZXFLFJCPGPTWPU-XDHOZWIPSA-N	556.375	5.974	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(Br)c1	408889821	JMGUWKRFLABPIE-LICLKQGHSA-N	595.118	7.952	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc2ccccc12	408892278	AIPYXUJZDXMTJD-FYJGNVAPSA-N	656.261	7.174	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OS(=O)(=O)c1ccc(C)cc1	408895731	OAWZNXWVQWPRPM-LDADJPATSA-N	620.319	6.150	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2I)cc1	408896822	TYCOBYSYJQVHNK-GIJQJNRQSA-N	792.047	8.162	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408900518	VSAJRQUBLOGEDH-WOJGMQOQSA-N	511.361	6.166	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1I	408904766	OIACYJNKMJSKHM-ZBKNUEDVSA-N	567.019	5.289	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(I)cc2)ccc1Br	408905005	RTRLIUGUCGSOCZ-ZRGSRPPYSA-N	643.117	6.859	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c(OC)c1	408921542	APISALZNPRGXBV-FUQSLGPRSA-N	671.932	5.020	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Br)cc1	408925671	SSIFLDYCQCRDMQ-CPNJWEJPSA-N	541.423	5.388	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1C	408926195	VYTDOPREGVHMBO-GIJQJNRQSA-N	603.800	6.295	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)c(OC)c1	408955002	OAYVJMFGMRPYEG-HVJLQFNCSA-N	811.855	6.015	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccc(Cl)cc1Cl	408956489	XKVKJUYIXGLQTC-OYKKKHCWSA-N	560.481	7.057	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(O)c(Br)c1	408969693	SBOGVVZXNFDDER-XLJKEPJDSA-N	579.278	5.107	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OC	408970797	KMAHVCIMLIBBLT-ZLJOWREDSA-N	558.462	5.046	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	408986664	CTXUXCFPMQFOBA-OUBUCNEISA-N	603.510	6.016	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008559	XXEKGEKDTQIOQY-YSMPRRRNSA-N	596.127	7.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409011280	FWZDWFQZRPGPAZ-ODNPBWNPSA-N	693.582	6.645	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)o1	409012245	KBXAOXAAQKLSDO-YSURURNPSA-N	594.159	6.040	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1OCc1ccc(F)cc1)c1cc(-c2ccccc2)nc2ccccc12	409034599	IBLFSNYRISSVLA-KVAAJVFYSA-N	727.315	7.593	50	40	KKGB	
Cc1cccc2c(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c(C)n(Cc3ccccc3)c12	409041395	VNFIDFJTELSCKV-IPHFVPNQSA-N	508.625	7.286	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409046511	RJLDFKOUINYRCJ-OHUYPAJKSA-N	567.001	6.815	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OS(=O)(=O)c1ccccc1	409064942	JKHDZZHTYJDVOH-XQNSMLJCSA-N	502.592	5.354	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(I)cc3)c(Br)c2)C2=C1CCCC2=O	409134441	STBLAFKLZSJOOW-JOCHJYFZSA-N	590.259	5.363	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3cccc(C)c3)cc2)cc1	409222329	CGDPRWQDKINLQG-MNBJERMJSA-N	536.544	5.447	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409227421	YIMFZMOXPGELTB-CNCDYAKUSA-N	611.825	6.790	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)NCCCc1ccccc1	409245239	PNIIQVWPNNUXAT-JCMHNJIXSA-N	509.831	6.337	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1ccc(Cl)cc1	409247954	IXASPGNORWVFLJ-KKMKTNMSSA-N	563.905	5.729	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409254465	IPYDCUJFDBTTQJ-AEVGBRMKSA-N	719.061	8.458	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409257280	PSXXYDXAJLWEEH-CAOOACKPSA-N	669.825	6.844	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409310688	CJQNZYVWKXMDKI-FCHUYYIVSA-N	606.926	5.228	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1OCC	409316301	YKBWGXBNWOLLRD-FDVSRXAVSA-N	500.954	5.628	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1OC	409317774	VPDZALNURNDGGV-MUXKCCDJSA-N	503.382	5.752	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1	409319967	OEYQXPJTVXAELM-CAQPMQTCSA-N	544.007	5.709	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OCC	409327826	WUGYCZOSNNQKAR-BVMLUPFRSA-N	608.316	7.071	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)ccc1OCc1ccccc1	409328172	ZVKQEZDCSJKNOP-HTVDVWKISA-N	648.421	8.454	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1OC	409332708	HTYNSQUIGQUZEJ-PPDIBHTLSA-N	538.225	6.116	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409367722	JJLFTBPTFGSQFK-MUXKCCDJSA-N	518.466	5.260	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(Cl)c1Cl	409368217	PSILJQUMBOFQTL-FXMZOFOKSA-N	624.171	6.404	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409374729	XSVTXXVZYFLFCX-IUXPMGMMSA-N	543.248	7.592	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409396054	VUOCDNJMHKBANF-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409396680	ABOZNLFZGPZGRN-UHFFFAOYSA-N	600.502	8.140	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409396828	BQWLIRIXTVNGIO-UHFFFAOYSA-N	661.756	9.094	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409396926	DALLZPDILHLTNW-UHFFFAOYSA-N	606.860	7.226	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397280	IHJWUSMXCCCBLL-UHFFFAOYSA-N	567.985	6.209	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397730	NHYFQDXGGHVZOT-UHFFFAOYSA-N	632.500	7.541	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409399023	XLJCUQXVIJTQCF-UHFFFAOYSA-N	596.083	7.577	50	40	KKGB	
COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409400883	FTTRCEAOIUSAOT-MBTHVWNTSA-N	569.399	5.643	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1cccc(C)c1	409401352	SRNZGDDVHSHTRG-WBIBEUCMSA-N	642.550	7.689	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401666	IAAKOJRBRLCWNW-FCXAFSJHSA-N	579.653	6.514	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)o2)cc1	409402945	LLIXLPRNQFKUGR-VHFSBPNMSA-N	615.061	6.840	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1C	409409096	NAMMTKLRGSHKCU-APTWKGOFSA-N	520.633	6.746	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	1529548207	AZELETRTWUQBIK-GOAUDOFWSA-N	751.443	6.128	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	710594	BPXMFXILVIPGTM-XMMPIXPASA-N	539.444	6.293	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	1102425	VPLIYTXVFBTUGV-MUUNZHRXSA-N	508.647	6.010	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1	1790708	DLUMBUQEOAESBY-JSIHEXFSSA-N	512.393	6.197	50	40	KKGB	
O=C(CNc1cc(Br)c(Br)cc1Br)N/N=C/c1cccc(Oc2ccccc2)c1	3170497	IKBUNQCGMUQEID-RPPGKUMJSA-N	582.090	6.329	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	8812578	NBIXHEYFHZUXAP-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1C	16362421	VQVVGXYZGXNNIO-DXJNIWACSA-N	528.678	5.052	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1	20347925	IPULVPGDIZPHIE-MHZLTWQESA-N	511.647	6.464	50	40	KKGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1OC	50860261	CVKGOROFBBGHGB-VTNSRFBWSA-N	538.604	5.125	50	40	KKGB	
Cc1ccccc1NC(=O)[C@H]1[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N[C@@]1(C)O	59832348	CPEBAGRSKQNSTI-XFAFFCHDSA-N	597.560	5.576	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccc(C)cc2C)cc1	59855924	ICLZOLNLKOTZAM-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl	97960922	DOMYLHNAUXKQCZ-XKJRVUDJSA-N	543.204	6.717	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(I)cc2)cc1	97966249	KCUBVTFYKNBQGI-MOSHPQCFSA-N	587.255	6.741	50	40	KKGB	
O=C(N[C@@H](Sc1ccnc(S[C@@H](NC(=O)c2ccccc2)C(Cl)Cl)n1)C(Cl)(Cl)Cl)c1ccccc1	97983163	RJKNACWHHQHLIQ-UXHICEINSA-N	610.803	6.347	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126147	JCFUVBIURXUYBN-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	100132357	DOLDKHWWCAGKRG-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	100391331	BTPUHKJBOQHFAM-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1cccc(Br)c1)c1cccc(Br)c1	103600078	UWPCBUZMNVKLMT-UHFFFAOYSA-N	614.384	8.516	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	104953820	MGNVCLAQSVDMML-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	112247494	URQFYZBMHJAQTJ-OPEKNORGSA-N	548.191	5.045	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	150452959	HJXDOEPHQRTPLW-XZYGTATASA-N	665.603	5.544	50	40	KKGB	
OCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	164087508	RULHONJLNQDWRE-SCSAIBSYSA-N	618.065	6.572	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	169795453	GCTFDAHDTCMDAA-HDICACEKSA-N	642.288	9.960	50	40	KKGB	
CCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	408531121	KTWCEDXBXIUCOG-RHANQZHGSA-N	549.494	7.259	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	408539531	XBKHRSFXLMTHRX-QNKGDIEWSA-N	561.151	8.710	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N1CCN(c2ccccc2)CC1	408605949	NREOEZRWKIIJMS-XIEYBQDHSA-N	535.648	5.370	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(I)cc1	408711801	LGMNVTNCHHWNNC-BRJLIKDPSA-N	614.075	6.159	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	408719790	SDWVBWMODDLICW-WLQDDEQESA-N	546.026	5.236	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408725996	NWOQHZYXERCWNR-JAIQZWGSSA-N	536.382	6.107	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)ccc1I	408747231	KTUNTUBURREJJC-BRJLIKDPSA-N	610.202	5.313	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408748694	BRWWXBROWLZUJL-ICUTVXMZSA-N	564.085	6.713	50	40	KKGB	
CCOc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1	408752430	ANVMRCRXMQWICY-AQTBWJFISA-N	510.377	5.955	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc2ccccc12	408752805	CKKAJLBBFANSHV-CVKSISIWSA-N	554.378	5.042	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)cc1	408764147	QEGIOHMSRSLEST-CXUHLZMHSA-N	610.711	6.487	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br	408766514	VCJSLGPGJAZELM-SDQBBNPISA-N	543.009	5.445	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC	408766920	WYCVCXCWKNUKBN-SDQBBNPISA-N	517.150	5.551	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1	408789852	SAFOFKJONXXACK-LFVJCYFKSA-N	510.977	6.795	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(C)cc1	408798081	UQHNZWULZHVWRO-UDWIEESQSA-N	507.384	5.987	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408799534	ZKDCCMMCZNXTCA-CAOOACKPSA-N	597.667	7.685	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cccc(Cl)c1	408806086	AERDVYYOAJWDIW-SRZZPIQSSA-N	539.857	7.243	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c1Cl	408809060	HDPQPNBPVWSORI-NBVRZTHBSA-N	520.372	7.206	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408809767	IZGZQVUYFZFOPD-LSCVHKIXSA-N	580.693	7.220	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c1Cl	408818816	YZOVIOBIMAWBPG-SDNWHVSQSA-N	500.338	6.061	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Br)cc1	408825313	RXOHIRHTMKXLDZ-QJOVZPHJSA-N	720.405	8.171	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1	408830147	RIZGTOPJLYEIKC-IPPBACCNSA-N	539.963	5.021	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4cccc5ccccc45)c(Br)c3)cc2)cc1	408830227	OVDMUFZHUIYVEI-VUTHCHCSSA-N	603.516	8.614	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1OC	408838156	RZOQHAJBADICOJ-RWPZCVJISA-N	523.452	5.976	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5ccc(Cl)cc5Cl)c(Cl)c4)cc3)cs2)cc1	408838916	KBWFRHDFMDIZJC-IRWBXMRWSA-N	656.422	9.819	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408843092	LOEMLCOXSUDMCX-AABVJFSESA-N	622.917	8.097	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)ccc1OCc1cccc(C(=O)O)c1	408854302	BYRCNHKKMDXJDY-PPDIBHTLSA-N	592.240	5.027	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c1	408857031	JFYOZYIJNVUBOM-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2cccc(C(F)(F)F)c2)cc1	408859868	UMWAYJPFQITVLY-VFLNYLIXSA-N	527.927	5.152	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408865100	AQGFZGQDTDLYCR-ATZGPIRCSA-N	677.404	6.689	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	408866528	HBHUBFRXFNSALP-SAJWBJLZSA-N	529.640	5.166	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	408869245	QAYHNKQYPOCHKI-QMBVZLLKSA-N	732.822	5.598	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	408869307	QUKCAKGUNKVTPU-JVWAILMASA-N	520.438	5.128	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408875947	MPNCVVJJJCNTQN-JEPNHJGPSA-N	652.169	5.989	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(OC)c1	408881020	LFZOGFYHAXEFTK-CNHKJKLMSA-N	655.170	7.338	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OCc1ccc(C)cc1	408886036	CYAKWDTWSKGOCK-OEAKJJBVSA-N	574.418	6.886	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cc(C)cc(C)c1	408891310	OJNZFRQNNCJING-SRZZPIQSSA-N	550.409	6.498	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1Cl	408898129	UTYSQUYLJFXPCR-KVSWJAHQSA-N	603.671	6.993	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408923897	LAOCLBAFFSCPGW-CXUHLZMHSA-N	611.117	7.652	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OCc1ccc(F)cc1	408926732	XVMIOURKVGTVKW-LICLKQGHSA-N	654.217	6.168	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)c(OC)c1	408948304	CPTCUUAYRRAJCS-OGEPBOSOSA-N	651.116	5.046	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Br)cc2)c(OCC)c1	408949455	QZDIDPABKPSMEW-GDLZYMKVSA-N	807.505	5.916	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408956203	PWSGUWFWUNUNEL-MAFOTEGPSA-N	563.392	5.063	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc(C(=O)OCC)cc2)c(OC)c1	408957550	UZKZUAFRZQZWLQ-LDKHFMKXSA-N	896.473	5.380	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1Cl	408981294	AMXLGBYOTCNIEG-FMQZQXMHSA-N	604.682	7.027	50	40	KKGB	
COc1cc(Br)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	409020134	ZMDRTROONVINGH-UQGPSBGRSA-N	589.314	5.222	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	409036395	VXKILBNNAQUZPU-STBIYBPSSA-N	500.624	6.423	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409036864	MHKVXWIZHZPWRY-MUFRIFMGSA-N	565.265	6.756	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1	409047716	QDXQZXNNHAFQMM-XMHGGMMESA-N	520.383	5.411	50	40	KKGB	
CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1	409052062	GELPEXGBQCQERL-CCVNUDIWSA-N	554.883	5.387	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1	409057128	ITOHQWJZLAVQLQ-KKMKTNMSSA-N	573.271	5.236	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)Cc2cccc(Cl)c2)cc1	409060687	SUWKJPDPCBFSJN-IPPBACCNSA-N	523.964	5.008	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc(Cl)cc4)(c4ccccc43)[C@@H]2C1=O	409149860	SNHWBNYFWDAYAU-UAPQTLPUSA-N	594.498	6.197	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1	409159792	USHNKJKRWODWRO-KBVAKVRCSA-N	595.494	5.079	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409165175	UHOAJUORHPVGEC-VFLNYLIXSA-N	608.276	5.261	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C(F)(F)F)c(OC)c2)cc1	409171360	ZSLJPZRMTPCILI-ROPCREHHSA-N	651.436	5.372	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-]	409219942	RXNFGEBIPORGJI-ABBLHCHPSA-N	534.528	5.230	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409241827	VDFSORXHDILNSS-GRSHGNNSSA-N	544.913	6.580	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(C)c(Cl)c5)c(Br)c4)cc3)cs2)cc1	409255777	IUBLSOUYNHZTIN-RODHXAHZSA-N	689.035	8.368	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1	409256785	QAYUNUPVCPLQOP-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OCC	409309340	FRUHRKBMJASROH-MNBJERMJSA-N	552.027	5.484	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OC	409314449	RHZXFBOZVFYGLM-LJUMEUDFSA-N	596.478	5.511	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1OCC	409333310	JKTHPJVTVIHQPH-UHBFCERESA-N	512.965	5.794	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1nc2ccccc2n1Cc1ccc(Cl)cc1	409333467	JZFCBFLUJMZVBT-JJIBRWJFSA-N	533.462	8.459	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccccc1	409387982	ZLGVJSAXVMBMDT-MZJWZYIUSA-N	554.422	6.314	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409394791	FWPGWORFMOFTBW-UHFFFAOYSA-N	695.795	8.395	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409395248	LMMZNZXWXVQMEQ-UHFFFAOYSA-N	779.791	9.032	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(I)cc4c3-c3ccccc3)cc2OCC)cc1OCC	409396194	FSYCCYRUQJJEIX-UHFFFAOYSA-N	717.560	7.619	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396290	JVPNOGXOYOCYCU-UHFFFAOYSA-N	605.647	6.459	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409396804	BJMAELHKIZMJJQ-UHFFFAOYSA-N	570.020	7.318	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397090	GASBZHVAEYADER-UHFFFAOYSA-N	582.056	7.187	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409397229	HQCOVQUXJRWPMK-UHFFFAOYSA-N	650.009	7.424	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3O)o2)cc1	409403494	NFCHIDKEKYAPDG-QDTIIGTASA-N	542.817	6.152	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(C(=O)O)cc1	409404928	RJRGBFJBRDUDNF-KOKCXWAISA-N	733.559	7.311	50	40	KKGB	
O=C(NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12	1857793646	QQCQBERGZJNZBZ-UHFFFAOYSA-O	609.517	7.115	50	40	KKGB	
Cc1cc(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Br)cc1	647902	IYFHUPYDJWDOHX-OZXSUGGESA-N	513.439	6.239	50	40	KKGB	
O=C(/C=C/c1ccco1)N(NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1	3117699	PVWDDSAMLMPIFU-WUKNDPDISA-N	507.373	5.600	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C/c3cccc(Oc4ccccc4)c3)c3ccccc3n2)cc(OC)c1OC	3230185	VBFLNGJWVJMDTA-FMFFXOCNSA-N	533.584	6.484	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1[N+](=O)[O-])N2	6073848	IHFQDNXQXWDGJI-QIEDNPPQSA-N	539.013	6.500	50	40	KKGB	
CC(C)OC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl	8451171	RGJIZQGVYPQGDM-DEOSSOPVSA-N	535.069	5.681	50	40	KKGB	
CCCCc1ccc(OCC(=O)N/N=C/c2cc(OC)ccc2OCc2cccc(Br)c2)cc1	14921196	TWXNMMXBFFXQGB-STBIYBPSSA-N	525.443	5.908	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N1	20025867	CTGCXHLMSSVEEC-VWLOTQADSA-N	526.058	5.160	50	40	KKGB	
CCCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1	30750455	HSVRQRFIQKTTSH-MIXAMLLLSA-N	515.639	5.283	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)cc1C	58915026	YAHGBRXHIAYVKF-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)cc1	58916775	CQHUFXMZENRVAO-PAPLDOMISA-N	515.654	6.434	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	59335882	PLBNSPPLNHXHMI-PDGQHHTCSA-N	512.349	6.425	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3c(C)cccc3C)=C(C)N2)c1	98048912	BAYNKAXSLHJJIG-SANMLTNESA-N	528.634	5.612	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(F)cc4)c3C)cc2)S(C)(=O)=O)cc1C	100119920	KWIWBDRSTULNCI-KCSSXMTESA-N	546.668	5.580	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccccc3O)c2-c2ccccc2)cc1	100311513	BUMQLYILYAAQCG-VQNDASPWSA-N	529.596	6.458	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl	101562997	JPUKVEQBTDFPMM-RUZDIDTESA-N	598.939	7.415	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCc1ccc(Cl)cc1	103857914	KCBMBIBHTUOMRT-WYMPLXKRSA-N	540.810	5.748	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1	103897336	IBVLIBVPOZOILN-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(OC)c3)N=C3CC(C)(C)CC(O)=C32)cc1	104133842	NWWYBWVXYLBWGT-RUZDIDTESA-N	503.624	5.981	50	40	KKGB	
CC(C)(C)[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2C2=N[C@@H](C(C)(C)C)CO2)=N1	136229948	BXNPGTKDUBOISS-VSGBNLITSA-N	512.634	5.828	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	150385643	QIEISKQNBYGEMG-AABVJFSESA-N	623.484	6.765	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(Cl)cc2)cc1	198309814	TUQRGOZECZRHLI-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2OCC)ccc1OCc1ccccc1	408538311	KURGIFRFINTWDI-NOCIIAOISA-N	791.768	10.344	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccccc1	408538560	OTSRUGWLWRJLIO-IMRQLAEWSA-N	641.518	7.338	50	40	KKGB	
COc1cc(COc2ccccc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	408539624	IVXLOZBTCBLZGZ-YKQZZPSBSA-N	511.534	5.525	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408541658	FAQUWYMRYJPOMT-ZDLGFXPLSA-N	522.311	5.180	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1	408566708	AYWXPTUTRSSORK-VFLNYLIXSA-N	612.398	7.343	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408570496	VZEGJCCLYQSQRI-XODNFHPESA-N	761.401	6.391	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(Br)cc1	408599401	UHIRXXUTEOQMCB-OKCVXOCRSA-N	582.292	7.106	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCc1ccc(Cl)c(Cl)c1	408611280	QMHAGDMJDCMKCG-PNQUVVCRSA-N	540.325	5.689	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408645195	HSZAUWXEWJRGHF-GHMQEZDJSA-N	766.226	6.712	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccccc1F	408676137	FYYDOQOMGMQZPX-MUFRIFMGSA-N	526.406	5.540	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(I)c2)c1	408745109	PKKXTXLZWMDTPD-UNOMPAQXSA-N	620.228	6.329	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)Nc1ccccc1I	408762841	CDALGLOIOVIBNW-LQKURTRISA-N	549.368	5.226	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1OC	408780958	OMOVFQSTFATFFJ-AMVVHIIESA-N	569.989	5.030	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2cccc(Br)c2)cc1	408781656	DXKDPRLPAYXOCA-LGJNPRDNSA-N	555.281	5.410	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc(F)c1	408797973	URLVJTMQZJSHQK-RGVLZGJSSA-N	556.375	6.262	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(I)cc1	408798164	UXMKPQJQRGCVEN-WOJGMQOQSA-N	619.253	6.283	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F	408798287	VQMYNIGUNYKVEI-UDWIEESQSA-N	509.375	6.420	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(I)c1OCc1ccc(Br)cc1	408801421	ARAIPYJEVDHHAJ-IAUZIZESSA-N	609.302	6.243	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2ccc([N+](=O)[O-])cc2)c1	408805963	DCTNGDZYKDEXJV-LDADJPATSA-N	508.328	5.491	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(C)c(C)c1	408810712	UPNGSFMAXRHVSP-FSJBWODESA-N	519.439	6.816	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	408813867	YSPGCYNQMJKGGK-FYJGNVAPSA-N	542.389	6.944	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408817582	LWGNQAUXURVZHF-NKFKGCMQSA-N	520.658	6.832	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(I)cc1	408817697	YGUQQAPJTZGLIF-MTJSOVHGSA-N	647.307	6.263	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)c1Cl	408821634	JQAXCVBXLDTVCT-FYWRMAATSA-N	514.365	6.451	50	40	KKGB	
CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408825035	IWNHFDZNBDNIMX-DEDYPNTBSA-N	525.830	7.014	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	408830845	TUBVNYZYJRBKAU-LZOGPRKMSA-N	639.561	5.595	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c(OC)cc1Cl	408834529	WKSANNSMIZKXLF-RQZCQDPDSA-N	545.792	6.383	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408838683	HCKCKZZIKZMBAI-IQRALLOGSA-N	613.424	5.992	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccccc1Cl	408840698	DARYXZIVGBYQOG-HBHSWBPBSA-N	623.484	7.883	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	408840876	CQRMYMKZPTZJEP-HNSNBQBZSA-N	567.598	5.256	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c2ccccc12	408845142	OXOKRQZKUVUNEZ-FDAWAROLSA-N	506.631	7.178	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(I)cc1	408846149	IQGAMIKWMRGPLB-DBSPGSINSA-N	689.981	8.452	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1cc2ccccc2o1	408846394	NELCYPMTXWGJPR-ZMFRSBBQSA-N	530.749	6.034	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OC	408852817	IPSNQAINOUMVMD-STBIYBPSSA-N	518.411	5.996	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1cc2ccccc2o1	408856014	ILTLQXFGWPSNMZ-PPDIBHTLSA-N	640.190	6.124	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1	408865412	DGBRTPYEFFASQB-XJECJHNESA-N	737.456	6.706	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OS(=O)(=O)c1ccccc1	408888093	WSZMWQHLPAUXBL-LFIBNONCSA-N	503.363	5.315	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OS(=O)(=O)c1ccccc1	408893296	DPFMMKPVHGKRJU-NBVRZTHBSA-N	574.396	5.003	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl	408899142	ZLEOKJRIFIILGU-XNTDXEJSSA-N	552.233	6.069	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)c1ccccc1-n1cccc1	408900849	YBNWQHXKOZNYJL-ZCTHSVRISA-N	538.401	6.376	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21	408970435	HTUJXMXALUVQDF-FDXYCBKXSA-N	589.520	5.268	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	409003950	WAKJABPEADWKIQ-CMDBMJFNSA-N	662.553	5.334	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409013296	UHXAHVDDWFMLRO-QLQYKETESA-N	580.729	6.010	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	409023332	KCCNJBUUIPBLGZ-BJUCDSOZSA-N	530.411	6.803	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025224	OEDNAPZDVVHELC-HZVFOSPQSA-N	543.645	5.363	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)ccc4OCc4ccc(F)cc4)cc3)cs2)cc1	409032261	BXYIYQPIFUCDAF-KVAAJVFYSA-N	571.077	7.998	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409039648	HESLBRKRSBZAFB-DLCNMLRHSA-N	544.413	7.691	50	40	KKGB	
COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccc(Cl)cc4Cl)(c4ccccc43)[C@H]2C1=O	409050212	SNTUWJYCTOXJGH-NSFRQFJKSA-N	596.470	5.969	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(O)cc1	409090854	PDGAKNGIOWOUSA-NTUHNPAUSA-N	627.167	7.182	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2cccc(Cl)c2)cc1	409115466	JFLUJQICYCMQLX-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	409162643	YDQBRYKURASOOH-RWPZCVJISA-N	562.917	5.567	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409220264	VQOUHHZQNLSBDB-LICLKQGHSA-N	555.374	5.863	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1	409243865	VLWRHLWHDNNUTR-QHSFOXILSA-N	590.315	7.728	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1C	409252951	VJWKLEDECDPEGK-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409254855	JDYBEWLSNWYUGS-CIAFOILYSA-N	505.958	6.345	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1C	409257532	SNADCPDKVVPBPO-ODLFYWEKSA-N	583.280	6.392	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409260551	RXNYSGRJQPEHOQ-MOSHPQCFSA-N	564.436	5.728	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)cc1	409263508	HJAYLCMKRPRWJE-KGENOOAVSA-N	548.437	6.028	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1	409265011	NEYNFMXDYPKAFN-LPYMAVHISA-N	518.411	5.307	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1	409313454	BRTGAVBHOVAYTL-OHUYPAJKSA-N	603.469	6.468	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1OCC	409315469	VOIAEUFDGKEHIB-FDVSRXAVSA-N	635.309	6.650	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCc1ccc(F)cc1	409322267	LMDXNFJXBXBVEU-HQDYHJHZSA-N	563.025	6.808	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	409346179	MPTAAUWCXNLSPA-QESWDSMOSA-N	517.807	5.264	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)c1C	409362457	GGXYGPPWIGGLEL-UNOMPAQXSA-N	522.374	5.768	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc2ccccc2c1	409373465	SXJHZAFHMCWQQE-LQNQUEJISA-N	562.420	6.181	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1cccc(F)c1	409373500	UHOGXDXCZNIVAW-VYYCAZPPSA-N	530.350	5.167	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409373935	WKUPHIJSACHDNQ-WKULSOCRSA-N	564.392	5.871	50	40	KKGB	
COc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1	409375645	NLHXTIGPAMFRKM-FABQOPTDSA-N	612.111	6.997	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409379972	DNSHRFJIIPZJND-NVMNQCDNSA-N	574.229	5.794	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409385356	HYBYLGBWWKOOFC-YBEGLDIGSA-N	539.317	5.060	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409394506	BGMINDBARWYOPR-UHFFFAOYSA-N	690.348	7.814	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)c1	409396025	VLXVDTYEZLYRAA-UHFFFAOYSA-N	665.313	7.491	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409396362	XYPYKFPZYANQNH-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397679	MRKSCDBIOGMBGK-UHFFFAOYSA-N	586.963	6.527	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(N(C)C)cc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409397763	NUYLSCXPQGBPIH-UHFFFAOYSA-N	655.107	6.480	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(OC)c4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409399319	ZKRQLZQETHEKML-UHFFFAOYSA-N	672.090	6.431	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)o2)cc1	409401833	IHYOFFPQZMLPJD-AEUUOICLSA-N	572.036	7.402	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Br)cc4Br)c4ccccc34)o2)cc1	409402269	JMZPLNMZMITSBA-GZOMZLSJSA-N	714.458	8.866	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC	409402694	KOKDOWZEVVOUIR-UHFFFAOYSA-N	507.974	5.701	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OC(C)(C)C)c(Cl)c3)o2)cc1	409403775	NWRBJTQZJVVUKR-LJUMEUDFSA-N	520.029	6.861	50	40	KKGB	
CC[C@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1[N+](=O)[O-]	409405758	VBSULAJXGNWNPT-TVFHRURHSA-N	530.581	6.116	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc5ccccc45)c(I)c3)o2)cc1	409406078	VZOAZMPTZIFXLB-GLJXUZQSSA-N	695.557	8.367	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc(C#N)cc1	1529548303	CDPDKQBVMSVHGU-TXWDNMQDSA-N	835.462	5.231	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)o2)cc1	1454113	ZWCXCFCVWAEEBL-XSFVSMFZSA-N	517.994	6.370	50	40	KKGB	
COc1ccc(N2C(c3ccc(F)cc3)=CS/C2=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1	3190793	PEWHWGWCYRGQDB-WCTVFOPTSA-N	552.635	5.696	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	3255319	OKHVSEMREKWSOA-VFLNYLIXSA-N	579.248	5.995	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(F)cc3)n2-c2ccc(Cl)cc2)cc1	9019401	TUVUUBXYJLGRKH-NTFVMDSBSA-N	509.994	5.368	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCCOc2ccc(Br)cc2)c(Cl)c1)c1ccncc1	9280104	VHYYBQZFOKBHOM-LGJNPRDNSA-N	509.187	5.373	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1c(Cl)cccc1Cl	33629863	MISYEIAKYJDQJJ-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NCc1cccs1	59087055	HTBWPCDZZXCJFT-LICLKQGHSA-N	510.844	6.390	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(C#N)\C(O)=N\c3ccc(C(=O)OCC)cc3)N(c3ccccc3)C2=O)cc1	97968944	DKCPZYKAAGGIEI-SJCFVWOQSA-N	569.639	5.754	50	40	KKGB	
CC1(C)C(=O)[C@@](C)([C@H](Br)C(=O)c2ccc(Cl)cc2)C(=O)O[C@H]1c1ccc(Br)cc1	98005070	ADXWRPVULOFEOR-KGVIQGDOSA-N	542.651	5.948	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2cccc(F)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12	98008237	VNLHJLZEZNXZAI-UMSFTDKQSA-N	558.588	6.471	50	40	KKGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3ccc(Br)cn3)C3=C2C(=O)CCC3)c2ccccc21	98008241	IAQASUZEUUAYJA-GDLZYMKVSA-N	552.432	5.336	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl	100118942	ZYVFSLKGQXESTH-WEHZEOHNSA-N	577.537	6.939	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1Cl	100119962	HKPUNORPKYXIFE-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(C)cc2)cc1	100380158	KUJOLQVOAYUKED-BIZUNTBRSA-N	574.772	6.087	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(OC)c(Br)c3)nnc2-c2ccc(C)cc2)cc1	100858375	FNWDANROQHIFJZ-MBTHVWNTSA-N	566.481	5.265	50	40	KKGB	
CC1(C)NC(C)(C)[C@@H](Br)C(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H]1Br	101052024	BURKZZYTUVOTIJ-VXKWHMMOSA-N	558.318	5.675	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N/N=C/c1cccc(Br)c1	101694866	FBUAUFDEQMIYLY-DPNNOFEESA-N	570.874	7.514	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)NC(C)=C1C(=O)Nc1ccccc1	102719301	RRDYKXSFJJUJOG-GDLZYMKVSA-N	573.118	6.754	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882876	RTQDBRWUMVRGCH-UCQKPKSFSA-N	606.318	5.918	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(F)cc1	103890398	NDQSWAVCEZOBBX-YVLHZVERSA-N	519.787	7.309	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	103901228	VMANVDDRYXXPHA-FADJLKOXSA-N	623.562	6.598	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)c1	105984818	OBMUJCDOYAAVMN-MHWRWJLKSA-N	523.299	5.912	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341897	FDSYWUZWIVEGNE-HXUWFJFHSA-N	726.484	12.571	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341945	PVKQNZPJBFSJAZ-JOCHJYFZSA-N	654.524	12.080	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1	150367577	OQFFAUGNLIVCHP-LPEPFOFCSA-N	698.810	6.482	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)CCCCCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	150476457	XVCLCVIGELIOOK-VGHOLJQGSA-N	639.610	5.688	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cccs1	164439289	IXVPROKYXLGMHC-AUEPDCJTSA-N	622.653	5.954	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795441	OCDIKSYADVULCB-CALCHBBNSA-N	728.275	10.840	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc(Cl)cc1	209586914	RJGUDENALUVLRH-NUJZUDFISA-N	666.684	7.045	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2OC)ccc1OCc1ccccc1	408538721	PSVAWLFFXHRKLP-CFRMEGHHSA-N	644.478	7.078	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408553048	WFULJSRAKPDMQO-QFEZKATASA-N	541.445	7.391	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(Br)cc1	408579974	MDJYZJBEGIRPDP-CIAFOILYSA-N	509.230	8.552	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1	408612277	UUKNYKDLKBDWDR-XODNFHPESA-N	520.305	5.136	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408643625	GHLFSYFSJVKGNA-QVWZKCLOSA-N	568.284	5.916	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1	408647430	JFHVUCPNUMIMBD-IUOSPEFCSA-N	663.577	5.665	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@@H](Br)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Br)cc1	408676047	CSHRSYHCUKPVGM-AHKZPQOWSA-N	652.295	7.154	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Cl)cc1Cl	408722394	IDQZOOUUCKQHHI-IPPBACCNSA-N	528.233	7.252	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1	408724706	BAOJGBJMBHRMLO-LGJNPRDNSA-N	550.780	5.305	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c1	408744329	DYUYSOKVPOOVTI-XKZIYDEJSA-N	606.314	7.888	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)c1	408746014	QFRJEBFLSOTWMP-GRSHGNNSSA-N	552.381	5.889	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12	408747992	WQVJBTBOJRADGA-XICOUIIWSA-N	595.493	6.576	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1cccc(F)c1	408751265	YPHMCOMAUFBUBA-KCSSXMTESA-N	563.423	5.562	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1	408751884	DKIBIBFCZOCYCP-HYARGMPZSA-N	543.417	6.744	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccccc1Cl	408771007	DDOBPYFOYTXCLN-JAIQZWGSSA-N	572.830	6.695	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(C)cc2)cc1	408776320	YOOVPXJXGRJHSD-QNKGDIEWSA-N	551.668	6.046	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(I)cc3)cc2Br)cc1	408787923	HNZRRAMULNTGMQ-UDWIEESQSA-N	661.290	6.364	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)c1ccc(Cl)cc1Cl	408790961	UVJKYSNOITXUMZ-KMKOMSMNSA-N	599.977	5.730	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1C	408793390	FFKAQOPLQARLBX-UDWIEESQSA-N	634.255	6.637	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c(C)c1	408794182	IFTYBYDBSFQEAY-DJKKODMXSA-N	632.252	6.703	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Br)cc1	408794387	IZBDAPMFXUMGIV-VCHYOVAHSA-N	601.251	6.643	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408799535	ZTNDOBOINUFIHG-RDRPBHBLSA-N	575.064	8.205	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OCC	408828751	MCAFPMAZYOQEKK-HZHRSRAPSA-N	596.465	6.912	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408832176	XBVXSJVOZQBNAH-KVAAJVFYSA-N	735.882	7.107	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(Cl)cc1	408840187	YHVMHVCRYHLFGX-MWBNBJEGSA-N	617.558	8.602	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408860525	XNVUHLPYOMNJEA-AABVJFSESA-N	711.849	7.343	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(C)c(C)c2)cc1	408868722	PUXYDRPBCHXGIT-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1cc(C)cc(C)c1	408881926	NAEYOVRBMOVFMM-SSDVNMTOSA-N	553.884	7.551	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408890617	WOIUQINSXSKRLK-IPBVOBEMSA-N	663.257	5.977	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc(C(F)(F)F)ccc1Cl	408907481	PAZBOIYNDWAJIL-ORBVJSQLSA-N	568.788	5.842	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc2ccccc12	408964830	SQULULXZVKYDLY-VWJSQJICSA-N	604.366	6.815	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408965441	HLSRJQLIYGWIMV-XAZZYMPDSA-N	533.934	5.847	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCCOc1ccc(C2CCCCC2)cc1	408969843	VKYNJAULXUJMPI-XHLNEMQHSA-N	524.661	6.814	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Br)cc1	408972842	WEDHTQVJWOSSKO-QHCDQGGZSA-N	675.418	6.168	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993708	FCXLTBVVJDZTHH-ORBVJSQLSA-N	665.991	7.632	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1	409029962	BAJHBFHUQCZGHY-HQDYHJHZSA-N	556.449	7.560	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409031220	GWZOHCNUHKHWLX-AEUUOICLSA-N	640.335	7.641	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C)cc1	409053555	ZMPLPDNOVAJGBT-UVHMKAGCSA-N	501.808	6.071	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	409074253	LENRVNZACINVCL-RVDMUPIBSA-N	535.778	5.555	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)c1C	409077621	GDAFCPQYKKWUFB-LICLKQGHSA-N	560.326	7.331	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409083348	OBPJPVVFIRPHTI-MHWRWJLKSA-N	531.874	7.004	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1	409085259	RWCUZYUKSLTXCW-NTEUORMPSA-N	506.272	5.998	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1cccc(Cl)c1	409130300	HFMLADRYBGSMHF-SANMLTNESA-N	614.968	6.463	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1	409202643	SJPBTTGCJPZIFG-XODNFHPESA-N	507.414	6.353	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1ccccc1	409222208	WAVKZJONTVQAOP-OJSPLJLUSA-N	587.255	6.417	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409227475	ZAOJKJGTBUKVMW-LJUMEUDFSA-N	576.834	6.338	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1	409229363	NYFCYOJGCMWMSQ-XOASYVKCSA-N	501.026	6.831	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccccc4OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)cs2)cc1	409249385	HSRIUWPNFCJVES-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	409255247	YOWIRXWWTNDUSM-PPDIBHTLSA-N	557.190	6.009	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	409257725	UNTVUYDHJHBUFB-VHFSBPNMSA-N	680.983	7.179	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)c1	409263452	KXANKGFFXHGNFY-LICLKQGHSA-N	603.698	6.737	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl	409264276	QIALUGVZXWGVKY-QMRORBIVSA-N	630.557	7.950	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	409264409	FQBWJOYHQATMBU-AEUUOICLSA-N	695.408	7.279	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)ccc1OCc1ccccc1	409303587	NNEZGDFNXXGARG-PPDIBHTLSA-N	592.240	5.027	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)ccc1OCc1ccccc1	409320977	DBLZJEJJFVCMRM-DXJNIWACSA-N	509.562	5.056	50	40	KKGB	
COc1cc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1	409369031	YHSKPMCTDHZIMT-UCMJSZAQSA-N	577.747	5.673	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccccc1F	409371748	MTFJUSXIPHFAGH-NDENLUEZSA-N	631.226	7.831	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1cccc2ccccc12	409374091	YNIZTTFILKUVHW-LQNQUEJISA-N	517.969	6.072	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2OC)cc1	409377760	JSFMKSMQLJTZDX-UNOMPAQXSA-N	505.958	5.229	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409395453	NUICBRKVCSFVGF-UHFFFAOYSA-N	725.777	7.734	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409395546	OXSQQJAANOGWQI-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(OCC)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409397710	NCDJWMXJWYCRQH-UHFFFAOYSA-N	626.109	7.668	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409398790	VVIVVYWJUKQMSX-UHFFFAOYSA-N	563.610	6.152	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409401515	HJFWEENGMMJXCE-FRKGHFGRSA-N	711.440	9.077	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)OC(C)C)c(I)c3)o2)cc1	409403473	NCLLAEQVHOGAJW-ZMGVVAQMSA-N	655.489	5.965	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(C(=O)O)cc4)c(I)c3)o2)cc1	409406382	WLJCNKWMWFPVEU-RODHXAHZSA-N	815.402	7.516	50	40	KKGB	
CC(C)(C)OC(=O)N1[C@@H](CC[C@@H](O)CBr)C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1	575627466	KSKVPVAXSYPJEF-CLAROIROSA-N	504.421	5.168	50	40	KKGB	in-vitro
O=C(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)I)C(F)(F)F)C(F)(F)F	1772820756	XJWBQIVIYXFFAC-PWNYCUMCSA-N	555.959	5.185	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1ccc(Cl)cc1	1900919	PHOWMYFWSAUFSD-NUGSKGIGSA-N	573.698	5.091	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1CSc1nnc(C)s1	2406669	LFGUPLDFRWOWSE-RWPZCVJISA-N	518.664	5.799	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1Br	2605589	KMSXTDYKYIYVTL-UVHMKAGCSA-N	561.292	6.246	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1	2888380	KWHGGSNGLINKGV-SSXUBFHHSA-N	542.842	5.438	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	8426394	VPRSOPJUGOXLRT-NFJBMHMQSA-N	654.413	9.280	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccc(Cl)cc1Cl	9908268	WTCJMVAORNVBIK-FDAWAROLSA-N	519.384	5.599	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\CCCC[C@H]3C)cc2)c(Br)c1	12312143	NAFAAWLDHRYRRX-IVSOZVEDSA-N	508.254	6.395	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c3ccc(OC(F)F)c(OC)c3)c2C)cc1	13096492	WTJQTVSAUGUJBJ-FYJGNVAPSA-N	524.520	5.436	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	20764697	XBKXVEVZGJSNSI-XODNFHPESA-N	507.801	6.397	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OC(=O)c1ccccc1Cl	30937439	MBEJPBHAUUHOHW-XODNFHPESA-N	501.366	5.367	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1	59266327	WRYVHBRTVFHPJZ-HYARGMPZSA-N	505.412	6.589	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	59333956	MNJFPOCGUTZZHX-GRSHGNNSSA-N	514.217	5.939	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC	59474995	XHVQWVGMEBTWMK-WQRHYEAKSA-N	502.352	5.417	50	40	KKGB	
O=C(Cn1c2c(sc1=O)[C@@H](c1ccc(Cl)cc1)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2)NNC(=S)Nc1ccccc1	59690505	QEBFEUMRSIGSBS-PEYIGDRISA-N	557.166	5.233	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1	59884669	ZJAHSDGPQDKYMW-DPNNOFEESA-N	625.534	5.741	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/C=C\c3ccccc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1	97939486	MESKDTFZYDANSE-UISFIODKSA-N	563.039	5.802	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)ccc1OCCOc1ccccc1Cl	97980737	GLRRTXFPCILCTD-BIZUNTBRSA-N	614.507	6.025	50	40	KKGB	
O=C(CCC(=O)Nc1ccccc1I)N/N=C/c1ccccc1OCc1cccc(Br)c1	98043779	LUCAKXUWPHPEQZ-JFLMPSFJSA-N	606.258	5.502	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2cc(Cl)ccc2O)n1-c1ccccc1	98045830	VHZIGKOGRUYOLU-NXLNKITKSA-N	646.942	5.782	50	40	KKGB	
Cc1cc(Br)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(Br)c1	100023114	RJNQAUDYESKCNP-YCPBAFNGSA-N	561.057	6.616	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	100029922	OOFWHLIZOGJRRF-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
N#CC1=C(N)OC2=C([C@@H]1c1ccc(F)c(Br)c1)S(=O)(=O)N(Cc1ccccc1)c1ccccc12	100032411	JNTNZQMGUSNKTR-JOCHJYFZSA-N	538.398	5.115	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)c1	100122812	YZNUPSMGOLFASK-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	100127130	KTAFQVDXSPCFEW-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	103754270	OIVIJOZHJVARGJ-DPNNOFEESA-N	588.670	6.687	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc(C(=O)O)c1	103842518	ZTKANNZIXAIDAF-QRVIBDJDSA-N	544.007	5.763	50	40	KKGB	
CC[C@@H](Cl)COP(=O)(OC[C@H](Cl)CC)O[C@@H](C(C)C)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161208	RBPKDLIVOWCFJP-LASHMREHSA-N	596.293	8.422	50	40	KKGB	
CCCCCCCCCCCCCC[C@@H](Cl)C/[N+]([O-])=[N+](/[O-])C[C@H](Cl)CCCCCCCCCCCCCC	104205777	PKZPFYJBHXBGGP-FOOKEOGOSA-N	579.782	11.856	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](C)Sc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709444	UDFAVXJSPRKKGQ-RFAUDEAASA-N	562.135	7.205	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1cccc2ccccc12	163908651	YUSMZYGLHZCRQJ-HASSKWOGSA-N	681.530	7.041	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCCCC[C@H](I)CC(F)(F)F	169795425	PGIGBRJYJCMLBI-HOTGVXAUSA-N	614.234	9.180	50	40	KKGB	
C[C@H](C[C@@H](C)P(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)P(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1	207002817	NOLMSXJJRKOIOF-CZNDPXEESA-N	664.939	11.609	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)cc2OCC)ccc1OCc1ccccc1	408539856	KCTQTBLCVWYAGH-GZOMZLSJSA-N	627.059	8.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(C)C	408541737	DINYDTUVMOMAQS-HZHRSRAPSA-N	508.622	6.784	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccccc1F	408567007	CDWZDNAJXYIMIR-FJEPWZHXSA-N	561.100	6.465	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1OCc1ccccc1Cl	408569814	QDRGPJGDEFMNEV-KCSSXMTESA-N	583.175	7.054	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1Cl	408579528	HITOWGAPMKRHCH-LZYBPNLTSA-N	538.066	8.162	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1ccc(N2CCCC2)cc1	408677886	VTEYRDYFKFMKDJ-WKULSOCRSA-N	547.280	6.699	50	40	KKGB	
O=C(Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408686015	QYASYLFDRYMFPE-CRLGVJNESA-N	504.380	5.655	50	40	KKGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC	408725151	HUYHZFFZCFOLJA-PDGQHHTCSA-N	504.368	5.587	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc(Cl)cc1	408726775	UNLVTQAHASCDBB-NINHOHATSA-N	552.840	5.809	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(I)cc1	408744554	MAJMCHAICOOMGU-STZFKDTASA-N	538.385	6.123	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(OC)c2)ccc1I	408745960	BMSLFKWINVUVLT-LUOAPIJWSA-N	594.789	5.033	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1ccccc1Br	408751509	RENGLSBSCKWOKN-BRJLIKDPSA-N	535.305	6.003	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2c(c1)OCO2	408771268	FCHCEZPYWZGJPE-XKZIYDEJSA-N	576.447	5.021	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc2c(c1)OCO2	408782851	KBBQOHGXLYQUPC-UCQKPKSFSA-N	546.023	5.302	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1Cl	408787574	BZUUXDSNTXOEGA-RQZCQDPDSA-N	542.773	6.144	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1	408793220	NXXSJUSBNVPLHM-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408793974	GWCYDQFTZOJAAP-LZYBPNLTSA-N	591.643	6.898	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1	408795726	MWWHOECVUFUECY-YBFXNURJSA-N	710.160	7.118	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408809782	JBDZIKWLVWMKMU-IDWIKUEFSA-N	653.533	7.865	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	408811990	MJCPIUQLZGKIKY-RQZCQDPDSA-N	506.216	7.733	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccccc1F	408815926	TUGAUJJVGVOGIH-PXNMLYILSA-N	503.730	6.505	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408821371	GUVHNPXPEXNCOE-KOEQRZSOSA-N	624.480	8.758	50	40	KKGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408821660	JWXBQRNKCCMTBI-CAQPMQTCSA-N	609.104	5.120	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408822333	LQANYOVWEKONER-WVKHYPTHSA-N	818.599	7.124	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408823366	FDWWKILZRGQUNV-YDZHTSKRSA-N	733.817	9.354	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC	408828030	LHPOCDMAZXVLGE-UDWIEESQSA-N	602.312	7.844	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1C	408835363	YNRIVUFVMQKIRV-OVVQPSECSA-N	523.032	7.661	50	40	KKGB	
COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838957	KSRARESEMGJZHG-VFLNYLIXSA-N	599.894	6.285	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408841552	LGGGFLSBDNOEDN-VTNSRFBWSA-N	643.947	5.431	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5cccc(F)c5)c(Br)c4)cc3)cs2)cc1	408843717	MTUNCIGFEMWNCP-QNVXDBMFSA-N	694.424	8.869	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408853489	UPOZMXAGOSPATI-GIJQJNRQSA-N	520.243	8.042	50	40	KKGB	
COC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OC	408855279	BOTCIUAXRABAGH-UZWMFBFFSA-N	603.653	5.008	50	40	KKGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408857650	PCVJMLAJRDLTDI-FSGOGVSDSA-N	512.407	5.991	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1	408859207	QVSBMXHYMIHKGQ-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c1	408861134	NTUWJOVDXKKDRC-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1)c1ccccc1	408862947	NVKRFPNGAMHHFJ-BNTJEKIXSA-N	588.752	6.161	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1Cc1cc(C)cc(C)c1	408871103	XTFIFRLFUKTIGE-CIAFOILYSA-N	568.309	7.364	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408878624	AZZPUXUJFSZQAY-CIAFOILYSA-N	584.308	7.352	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1Cl	408892180	BREMNYXOAPKFQX-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1	408892679	DLQCZMPKZLBDQR-XSFVSMFZSA-N	519.351	5.391	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	408896506	NWXPSDFDWVERBL-GZTJUZNOSA-N	520.916	5.981	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408896620	SLYXCNVZXGPCKW-LUOAPIJWSA-N	587.095	6.627	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408900195	TZGQDLVVWRPASY-NTUHNPAUSA-N	544.263	6.056	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)c([N+](=O)[O-])c1	408922770	GLLZMJJFMJIGSE-HMMYKYKNSA-N	543.557	5.378	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)c([N+](=O)[O-])c1	408923439	IMOWYLKBPCDMMX-VXLYETTFSA-N	507.930	5.699	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1Cl	408937437	JIEBYWNHORVNSR-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1O[C@@H](C)CC	408951755	UYKKRLLWYJIGDR-PPTANMRCSA-N	530.068	7.446	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccc(Br)cc1	408961650	CYNLRZKQRKABDN-AMVVHIIESA-N	514.345	6.543	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408971778	LBXLOWKWHKOKGI-RULDXTCYSA-N	554.474	5.607	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408974573	ZTMVUTDNBCPWIJ-BRVKXLECSA-N	570.473	5.212	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c2ccccc2)cc1	408982745	YWHTYVMSPBJDBS-QRGARVHWSA-N	611.474	5.486	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(Br)cc1	409000551	YRGQCSBRQVUCSO-KBVAKVRCSA-N	621.285	6.447	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025363	PXYOGRNZYXUBNM-PMBODDIISA-N	621.115	5.455	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)c1nc2ccccc2[nH]1	409043157	QBKLMVVQQPUUCX-CXUHLZMHSA-N	527.191	6.870	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409045178	FVERWYPDISWEHG-VCHYOVAHSA-N	520.929	5.128	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OS(=O)(=O)c1ccccc1	409065282	HHUPMBQIFZZSNF-GZTJUZNOSA-N	562.341	5.040	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(I)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409132193	ZAPQIVVPEGZMRV-RUZDIDTESA-N	617.915	5.906	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1OCC	409143660	GRRSOAIOKPBADD-OCSSWDANSA-N	622.969	5.631	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc(C(=O)O)c4)c(Br)c3)cc2c1	409187208	NKTWQJMLMXHDRN-MUXKCCDJSA-N	537.366	5.635	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409214217	WFYHYONLNVRAOZ-WQRHYEAKSA-N	587.345	5.819	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409222090	AUGDQWFOPXFBDS-UHFFFAOYSA-N	576.436	6.628	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccccc2Cl)c1	409224180	JNGNWSGVOOKKPG-UHFFFAOYSA-N	645.691	6.693	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(C)=O	409227249	URXOKKRHKTXTOC-UHFFFAOYSA-N	720.529	5.644	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)NCCCc1ccccc1	409240982	MPJGIMMSGZWGSO-JAIQZWGSSA-N	534.270	7.535	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1	409245566	VYJVGJMXOCQFRY-HBFFOVPNSA-N	564.694	7.773	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccccc1C	409262848	JFGSSCSQEBOWSU-CIAFOILYSA-N	595.437	5.788	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccccc3)cc2Br)cc1	409270638	GNXFNECNZRVECV-ZMFRSBBQSA-N	545.231	5.301	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OCC	409302084	HKIPUKBJSKCPPZ-QRQIAZFYSA-N	507.543	5.134	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409309448	HKEOARNRAFJJME-DBFSUHOCSA-N	537.827	6.406	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Br)c2)ccc1OC	409315736	KKWVZXWCLPIQEW-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC	409320425	BEEOIHHLZFRFQD-UHBFCERESA-N	531.487	6.357	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl	409350679	SLAASVUWKDWROM-VFLNYLIXSA-N	534.813	5.782	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc(Cl)cc1	409356411	GIPUNSCJCPUCGB-MFOYZWKCSA-N	676.517	7.955	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	409371112	DFMWLANTTGKTOI-FDVSRXAVSA-N	691.263	6.229	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1	409373767	UTVPPNSXYYZOBR-MXAYSNPKSA-N	547.203	5.392	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3cccc(C(F)(F)F)c3)[C@H](OC(=O)c3cccc(C(F)(F)F)c3)C(=O)O)cc2)cc(OC)c1OC	409382616	VHFKTFAPXOZHMW-VMPREFPWSA-N	821.636	5.299	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(F)cc1	409386701	RKHWKFFRKGLXED-KKMKTNMSSA-N	513.934	5.954	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(OC(C)=O)c(OC)c3)c(-c3ccccc3Cl)c2c1	409395550	OZHRAWNIJIHWCS-UHFFFAOYSA-N	769.830	7.939	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(OC)ccc(OC)c2c1-c1ccccc1	409395565	PBSPALAZGCMCNT-UHFFFAOYSA-N	741.820	8.022	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397067	FUPPUHXFBGQLOW-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409397356	IYXGVVVGAGTZCE-UHFFFAOYSA-N	580.830	7.917	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409398929	WOWHKTYHECDXFK-UHFFFAOYSA-N	629.454	6.821	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409399154	YBOGBMOLDWTRTN-UHFFFAOYSA-N	523.545	5.818	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(F)cc1	409407049	YQVDNFZAIXPYEJ-KOKCXWAISA-N	660.540	7.909	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3F)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1770542	FOEWDSOLRUVZTR-OCSSWDANSA-N	501.631	5.922	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1OCc1ccc(C)cc1	1784520	MSFBMZNHXNYHSV-VWJSQJICSA-N	538.629	5.171	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Br)cc3)nnc2-c2ccc(C)cc2)cc1	1794631	ABOSRPRRGSOGOK-JFLMPSFJSA-N	536.455	5.256	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	1820958	KEYCCIZEWHTWRU-MHZLTWQESA-N	530.049	6.151	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CC(C)(C)C3)cc1CN1CCCC1	2090880	GOAREVYZSASUOU-NDEPHWFRSA-N	575.551	6.303	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)ccc1O	2347355	CEXXMABQOCJHIP-FDAWAROLSA-N	543.693	5.887	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1	2698886	DTFBNLPCGZKWPN-OKCVXOCRSA-N	529.025	5.387	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1	3275983	DWKFHUBIVFXTMW-VPUKRXIYSA-N	580.343	5.761	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)N/N=C1\C(=O)Nc2ccccc21	17992134	KZKINWZRGJIGFS-UHFFFAOYSA-N	577.438	6.183	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(C)=O)=C(C)N2)cc1	20347472	BVTRUMQCDLAFAG-DEOSSOPVSA-N	510.015	5.174	50	40	KKGB	
N#C/C(=C/c1sc(N2CCCCC2)nc1-c1cccs1)C(=O)Nc1ccc(N2CCOCC2)cc1	33551584	FLUOCTLCAQZZKG-ZPHPHTNESA-N	505.669	5.244	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c1	33643323	MCIVEFGXIGFSSW-QNGOZBTKSA-N	514.423	6.705	50	40	KKGB	
CCc1ccc2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n13)C(=O)N2C	53332306	GGPZFUQSSTWJMK-BBTNWVSFSA-N	552.638	5.677	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1	59333217	MUHLUWOJVVCHHJ-ULJHMMPZSA-N	502.014	5.573	50	40	KKGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C\c1ccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1	97940125	PCNGNFLUHZOKIZ-QMMCXANNSA-N	604.714	6.983	50	40	KKGB	
O=C(N/N=C/c1c(O)c(Br)cc2ccccc12)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	100049012	BDHALCNHZKBQJV-JHTRWWIWSA-N	559.376	5.137	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)c1	100122833	VLFCESNSBJBDIJ-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	100130088	WGONLIVVKDUESA-MZFJOGFUSA-N	583.541	5.785	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(C)cc2)cc1	100242906	ADWRKIVWSAZYTF-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl	100258266	NMVARUHEHIPFMA-OCSSWDANSA-N	555.487	5.990	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccc2ccccc2c1	100829494	SYGDESGKIHIJKM-NVMPUMLXSA-N	533.701	7.018	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	101000259	GZJNMBYLFPXQQA-MUUNZHRXSA-N	587.101	6.223	50	40	KKGB	
CC/C(=N\NC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12)c1ccc(Br)s1	102203752	CPNASVFNPMXPAD-TURZUDJPSA-N	524.440	6.287	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1	102868244	XCMDBGCYLACQMM-PMERELPUSA-N	570.114	7.869	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	103887386	HJIDJFITYUQHGI-IUXPMGMMSA-N	550.667	7.842	50	40	KKGB	
CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341601	VGSYQLGGLSNQPS-ZDUSSCGKSA-N	728.309	11.110	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341825	KWFAOESCELQPAC-LJQANCHMSA-N	762.464	12.816	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342212	LMJIUSRWSARGTG-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	162479544	NGBBVTRCJJVASG-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
CCc1cc(Br)ccc1NC(=O)CCCCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br	226399917	YSUAFJDLKNMOOC-NROXBAMNSA-N	619.192	5.288	50	40	KKGB	
COc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2)ccc1OCc1ccccc1	408537482	FNQMEFFEQQXRMF-IMRQLAEWSA-N	504.586	6.707	50	40	KKGB	
CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1	408539050	DXDFQDSACVXAOP-NVMPUMLXSA-N	581.551	7.930	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1	408566161	DRGDRUWMKPLNBE-RPPGKUMJSA-N	548.777	5.371	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408570530	WKTRQNXIZQAZQA-GRSHGNNSSA-N	508.380	7.389	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccccc1C#N	408570775	YJAQOZIZDRRBFM-FJEPWZHXSA-N	554.093	5.807	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2Cl)cc1Cl	408579367	GHPMTSKBTKKONG-LZYBPNLTSA-N	506.216	7.690	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc(Cl)c1OCc1ccccc1	408603712	GWMFLMQRQDSPBP-OAQYLSRUSA-N	508.018	5.376	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1	408607884	FKXYOYUOVMPJGQ-IPPBACCNSA-N	514.409	5.677	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1	408647051	JFHVUCPNUMIMBD-FFTGTZRRSA-N	663.577	5.665	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408724717	DTJWGPALRGWNBJ-BKUYFWCQSA-N	568.411	6.132	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccc(-c4ccc(Cl)cc4)o2)c1)CCCC3	408730037	DOGXPFXXVLHGKC-ACXHZZMFSA-N	543.048	6.312	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1Br	408742475	WSBNUXCHTCLAAM-OPEKNORGSA-N	539.655	6.045	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408747117	JJKSKPRNOKIQCJ-XODNFHPESA-N	599.252	6.348	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1I	408747723	RZNWKILDTXQGJT-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408747986	WPEOZVBICTWCJA-KYHGBAKBSA-N	539.846	6.612	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408760556	ATYPBALWGNQKAE-ODQASSKESA-N	604.507	7.525	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408764615	XVEQERXAGOEHIH-DEDYPNTBSA-N	622.453	6.223	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccc(Br)cc1Br	408767091	ITFSAIHWNJKDTQ-ZDLGFXPLSA-N	578.098	7.626	50	40	KKGB	
COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)ccc1OCc1ccc(Br)cc1Br	408783011	JFGSNFHRDBJVCW-QOLGAYEFSA-N	607.306	6.007	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(I)c2)cc1	408791938	FNHQHBNSTXXAFM-UDWIEESQSA-N	526.349	6.117	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1cccc2ccccc12	408792964	MTXKCAZNRGPCTK-WSDLNYQXSA-N	561.863	7.697	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1cccc(Cl)c1	408803870	BBUNNJBKCQEBDQ-DJKKODMXSA-N	607.275	7.430	50	40	KKGB	
CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408821884	ACKVMXUXDDYJBU-PXLXIMEGSA-N	531.439	8.058	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408825114	AGIXJEREKRIXEV-OEAKJJBVSA-N	682.796	8.577	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408826195	IWBKLFUWVWOAFA-YZSQISJMSA-N	549.583	6.616	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1	408828551	MZHAOESIOVJUQC-STBIYBPSSA-N	538.025	5.097	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408836122	ZILWSMKRQVXKAV-YDZHTSKRSA-N	744.369	8.609	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	408837932	PQHABZPQICPQTK-XICOUIIWSA-N	654.701	5.690	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408838777	IHXILYZRDGAKNT-KPGMTVGESA-N	611.279	6.991	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408839103	MXYYSSDJQJYUTM-IZYHBKOJSA-N	646.552	8.151	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839750	WGGYBQOZAVCRNC-AABVJFSESA-N	607.950	8.857	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408841419	GXXUUTPHXVCLMS-XJECJHNESA-N	706.460	8.739	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408849381	YBXSCSFWOKAPRF-YSYOEVFLSA-N	710.481	9.673	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408856567	KRHTWLYHXVPKPT-KOKCXWAISA-N	663.399	8.874	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408863756	PTTJVAULCJNOQY-INKHBPHZSA-N	539.701	6.556	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408886301	JVFKDKVLQOMBOX-DEDYPNTBSA-N	510.999	5.669	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408904823	PDDIPTFSWRWIRP-FXMZOFOKSA-N	663.137	7.412	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408904909	QGJMAMWSAUNTGE-ULPWCQAASA-N	630.164	7.960	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408962976	WOUXSIQXKUIZST-LUOAPIJWSA-N	563.191	6.753	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OC	408970795	KMAHVCIMLIBBLT-QLWOKORESA-N	558.462	5.046	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1	408984411	QRDAVXDHOBXMOS-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1cccc2ccccc12	408994688	ZPWQDULAFFFHTK-QQXSKIMKSA-N	523.032	7.663	50	40	KKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	409001680	QGOINEVOTJYGAD-DBFSUHOCSA-N	698.295	5.573	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409016572	QJLQIXBBCRAKMM-UGFRYCICSA-N	640.608	7.068	50	40	KKGB	
C#CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	409016658	RCIAJYKAQCZZBC-GIQGSQORSA-N	552.458	5.042	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2cccc(C)c2C)cc1	409027244	BPGVGRXDHQWAFW-WCMJOSRZSA-N	570.498	6.524	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409029082	VPNBTPVDYCEMLT-QNKGDIEWSA-N	603.697	5.027	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409039474	GRVDURFRQYJZKO-KCSSXMTESA-N	583.511	7.659	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	409053922	DQNPUHNIXJJKJZ-GIJQJNRQSA-N	505.323	7.445	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	409066510	AYSYYHZGXSCSSV-OQLLNIDSSA-N	509.754	6.387	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2o1	409085477	ZBGOAPQMXJISCN-NTUHNPAUSA-N	586.152	7.026	50	40	KKGB	
CNC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409085885	TVXDOWORWMARRF-MFOYZWKCSA-N	594.190	5.281	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccc(C)cc1	409092851	ZSUYXNPERPZKLU-AREMUKBSSA-N	535.394	5.682	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(I)c1OCc1ccc(Cl)cc1	409128691	KPEMSXMBAWESEB-HXUWFJFHSA-N	562.795	5.172	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	409133379	MDXZFVUVOANUDL-UZWMFBFFSA-N	669.541	5.615	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1)NCc1ccccc1	409136215	RRNSIXBPVMYTHR-IPPBACCNSA-N	516.450	5.072	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409140942	FUYXJGAATOAMPQ-RUZDIDTESA-N	581.467	5.319	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1	409153376	HVICIAGTCZDWQR-AMVVHIIESA-N	601.885	5.088	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	409202986	VMFVDCFJPTXCCX-LUOAPIJWSA-N	514.261	7.122	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccccc1	409224527	KUQNLIOFOOESFK-UHFFFAOYSA-N	572.017	5.983	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409226996	WWKIWJAGOCFWQV-UHFFFAOYSA-N	611.651	5.655	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccccc2)c1	409227459	YRKDIVPIIQLOCC-UHFFFAOYSA-N	532.383	6.229	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(I)cc1	409228314	XELUPAIKHDPASV-GFHXCNCHSA-N	538.385	5.663	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)cc2Br)c1	409238334	MZWRZKJAMPSJTB-KBKYJPHKSA-N	578.330	5.748	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409242195	VIBBRFPZIXCMBG-PXNMLYILSA-N	553.737	7.385	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)c1	409255463	ZXSWXMLYLLSFTQ-NVMNQCDNSA-N	628.277	6.300	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1	409256741	PLCVSBHJTOPPKZ-LICLKQGHSA-N	585.252	5.789	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409260908	YJFOCJKJVPOINC-JAIQZWGSSA-N	640.434	5.778	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)c1C	409265003	HKMKRJUKNGIERL-GIJQJNRQSA-N	651.277	7.410	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409267857	WRBVPUYIEKCLAH-VPUKRXIYSA-N	663.137	6.510	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl	409272201	PHVGZBRFUFMXBM-HTVDVWKISA-N	753.904	8.822	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)ccc1OCc1ccccc1	409330442	AMAMTQAXXRSQSK-OJYCWLPVSA-N	551.042	7.424	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409333189	NQRXALMHRKFAKS-FDVSRXAVSA-N	530.408	5.572	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409362590	IKUJDTBJCSKQGZ-VHFSBPNMSA-N	735.579	7.478	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	409372757	JHXTUKQCNIAAGC-OKCVXOCRSA-N	514.379	5.825	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1nc2ccccc2[nH]1	409383819	JJMGFBXPBKTSPO-SXGWCWSVSA-N	637.646	7.069	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409391163	HMMGSWLIYIJSFE-CAQPMQTCSA-N	608.330	7.081	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409395104	JYFFEGYJZJJIDJ-UHFFFAOYSA-N	695.795	8.395	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409396744	AQSNOGAMOIXLQA-UHFFFAOYSA-N	528.395	7.125	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(C)=O	409397809	OHJVPEVQLZHJHC-UHFFFAOYSA-N	561.594	6.060	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)c1	409398717	VJEPROKIRFHILI-UHFFFAOYSA-N	591.973	7.499	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3C[C@H](Br)[C@@]4(Br)C[C@@H](OC(=O)C[C@@H](C)CC)CC[C@]4(C)[C@@H]3CC[C@]12C	504649560	VKBCMZKYIQGGGT-GXCBMNCLSA-N	644.617	10.635	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1	1529544717	MIRHJRYGJULEJX-NKFQWXKNSA-N	587.485	5.138	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1	694813	XVTJXGDGTFAYIL-OCSSWDANSA-N	510.985	5.210	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(I)cc(C)c2O)cc1	2097189	LRQJCKIBNREKQO-CZSBVAQXSA-N	596.469	5.073	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccc(Cl)cc1Cl	2188482	ZWFJIWOKGMKLEV-MUFRIFMGSA-N	534.428	6.749	50	40	KKGB	
CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(C(=O)OCC)c1C	2427837	LTIYPQYKOKHGHI-VBKFSLOCSA-N	527.624	5.527	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I	4209632	JAVUAEFFUFNMPE-JVWAILMASA-N	591.243	5.005	50	40	KKGB	
C[C@@H]1C(=O)[C@@H](Br)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C	5733773	RKDXAWVGESLWJN-HXBUJRIMSA-N	505.625	8.830	50	40	KKGB	
COc1ccc([C@@]23C[C@@H](c4ccccc4)N(C(=O)c4ccccc4)c4ccccc4N2C(=O)[C@@H]3Cl)cc1	8452026	RVOUGWLYLPOOAR-WAKHXKBOSA-N	509.005	6.337	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccccn2)cc1	20233072	WYEFPIKCUAJCBE-UXHLAJHPSA-N	519.026	5.203	50	40	KKGB	
CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C(C)N1	20347913	WGDSWVRYHRRCLA-RUZDIDTESA-N	510.059	5.381	50	40	KKGB	
C[C@@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O	42490726	ADFOJJHRTBFFOF-YPSHPOCOSA-N	520.390	5.299	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	58926032	QXQOICFUEVEPIQ-LGJNPRDNSA-N	510.830	5.377	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3/C[C@@H]4CC=C[C@@H]34)cc2)c(Br)c1	59365702	FPVBOIBRAJSZDR-YSEUCIAXSA-N	504.222	5.781	50	40	KKGB	
CCOC(=O)CCC(=O)[C@@H](Br)[C@H](Br)[C@H](Br)[C@H](Br)c1ccccc1	68564017	MEGLECGKMOXAKM-FPCVCCKLSA-N	577.933	5.326	50	40	KKGB	
Cc1ccc(-c2noc(CN(Cc3nc(-c4ccc(C)cc4)no3)C[C@@H](CCl)n3cc(C)cn3)n2)cc1	69659348	XNOMKJYEYBVXEB-HSZRJFAPSA-N	518.021	5.391	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	97950438	BSRYWGOBWCWCRU-HHHXNRCGSA-N	529.065	6.355	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1OC	97968706	UDUFSQFQJRKKEV-LVVXZCGBSA-N	548.064	5.142	50	40	KKGB	
O=C(Nc1cc(NC(=O)c2ccccc2)cc(C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)OC4=O)cc2)c1)c1ccccc1	98044615	FWCOGPQQIKFDNX-UHFFFAOYSA-N	597.583	6.546	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl	100122159	XMHXFSPBYGBNSI-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2ccc(Cl)cc2C)cc1	100122630	ZNQMSSWXSPJCBX-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	100224609	VZVQHJOGRROGMA-OCSSWDANSA-N	576.403	5.821	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100239910	HRTCUZBJPPTYFL-BIZUNTBRSA-N	623.573	5.909	50	40	KKGB	
COc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1OC	100853835	IENXFCZVQXTFGA-MUXKCCDJSA-N	542.448	5.501	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1OCc1ccccc1	100974130	PFAUEVDDXWWIIX-ALQBTCKLSA-N	610.761	6.156	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@@H]1c1ccccc1F	102809852	QNSYFMHSAJTLRK-XIFFEERXSA-N	604.707	7.267	50	40	KKGB	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccccc2)cc1	245283766	ORRRQZAEMCGPHS-GOJOLKNFSA-N	757.964	7.745	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccccc1	408552887	LKYYCQQBFLIIRN-UDWIEESQSA-N	609.489	6.627	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1cccc(F)c1	408555460	XOGDSXXNGNCMJW-VCHYOVAHSA-N	566.452	6.533	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408566363	FZLZJRLORRPBTO-ZHZULCJRSA-N	509.566	7.233	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(Br)cc1	408567938	GZEIYLFKBYHTST-MUFRIFMGSA-N	587.561	6.435	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccc(Br)cc1	408719078	IJPVBCRSZNAVMS-WUFVBDPGSA-N	576.450	5.416	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)ccc1OCc1ccccc1	408739576	CSRCGAFZLVLTNO-FDAWAROLSA-N	502.014	6.489	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1	408739907	BTPMLOQXMJZJIB-GIJQJNRQSA-N	576.274	7.288	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744426	FQISPOSISYEEKO-PXNMLYILSA-N	658.636	6.813	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	408746061	QMFFGEIQPCAZPY-BKUYFWCQSA-N	686.287	7.182	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408759217	ZWAHBLVXRRBMTK-IBBHUPRXSA-N	567.480	6.486	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1cccc([N+](=O)[O-])c1	408762626	LMNWGJSIZRZGCE-ZDLGFXPLSA-N	508.328	5.491	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408785935	KATRSIWARPWVGT-UNOMPAQXSA-N	551.397	5.557	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1cccc(F)c1	408788335	CGKFRUULUKILNJ-ZVHZXABRSA-N	542.994	7.191	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789343	PABWFGIQTKEMSE-OEAKJJBVSA-N	655.319	8.302	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1	408790512	WTHCIFPQGPGXEI-YBFXNURJSA-N	529.807	6.948	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(F)cc1	408792374	AXWUPOYGWCNJJC-RQZCQDPDSA-N	526.318	5.630	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(I)cc1	408807574	CSGZAOZRVJMARX-UYRXBGFRSA-N	542.348	5.954	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408823489	FMZWMHQMTNUCFU-CVKSISIWSA-N	678.954	8.274	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)o2)cc1	408828521	MTSICSYMJMOPQF-ODNPBWNPSA-N	729.664	6.220	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1cccc(Cl)c1	408828637	NJHMMINTUZSEAF-YDZHTSKRSA-N	682.796	8.577	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408835061	WSMDBUIUJCOFED-LFVJCYFKSA-N	618.325	7.915	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408838211	CVEQMCBUPBTLOP-IPPBACCNSA-N	632.911	6.983	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccccc1	408846200	RCRRHTNSONSRIL-KVAAJVFYSA-N	694.982	8.163	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccccc5)c(I)c4)cc3)cs2)cc1	408848271	VLRLNRKLQQMCDQ-KVAAJVFYSA-N	723.434	8.572	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1	408848579	XFTCIELXCDMGRN-JJKQSNDFSA-N	668.333	7.702	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1	408850395	MWPAAURQDXAFOK-CLHYIUPASA-N	668.389	8.192	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(I)cc1	408852219	DPKNWEIJXQIGGG-DBFSUHOCSA-N	698.149	7.304	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4cccc(Cl)c4)cc3)cc2)S(C)(=O)=O)cc1C	408856325	FPGINJMJPWCQFD-HNSNBQBZSA-N	576.118	6.266	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2ccc(C)c(Cl)c2)cc1	408864747	YYMSMPLCBIJZNN-KBVAKVRCSA-N	532.065	5.554	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3Cl)c(OC)c2)cc1	408869922	SYOZOKIHJMSSDA-UDWIEESQSA-N	556.831	6.652	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1Cc1ccccc1Br	408875931	MLRHRAFPXOFORJ-RGVLZGJSSA-N	554.282	6.974	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2)cc1	408878540	AIGYBNPBRAAPSP-QGOAFFKASA-N	633.318	5.792	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408884945	ZIIUREHVKRMMSL-CXUHLZMHSA-N	606.838	5.641	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1	408889343	CSNJABQJNOCIFI-KKMKTNMSSA-N	582.676	6.225	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408891055	KNZHJSUSSBCJOZ-FMFFXOCNSA-N	603.469	5.462	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1I	408893679	HNOTXNWMDRFXQX-AWNIVKPZSA-N	603.154	5.057	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OCc1ccc(F)cc1	408923480	ISJOPSGOFSYXDF-LZYBPNLTSA-N	607.763	6.125	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408946357	MJQWFQNAIRWARX-MHZLTWQESA-N	879.342	6.667	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(F)c1	408966942	ODAKVSCRPFNWAN-VYVUJPJFSA-N	555.618	6.763	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OC(C)C	408970469	IRWCCCNECABGTM-OTYXWFFFSA-N	542.891	5.883	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1)c1ccccc1	408980914	UHIJEFSAFPRFSV-WWUWQWKFSA-N	554.441	5.364	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)OCc1ccccc1	408990146	MWQZWSXYKXFOJN-IQZQLMGCSA-N	547.615	5.130	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409037791	NRLJNEGCRUKIBT-WKULSOCRSA-N	565.880	6.746	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(Cl)cc5Cl)(c5ccccc54)[C@@H]3C2=O)cc1	409042824	XWIAXIWXLXEYAN-XPNSKNLPSA-N	624.524	6.749	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccccc1	409056917	NNRPMMJMQWZYCV-LICLKQGHSA-N	621.353	5.882	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2ccccc2O)c(OCc2ccc(I)cc2)c1	409063451	LADORUFIZBVTEN-YUMHPJSZSA-N	543.405	5.186	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(F)cc1	409073732	IDTSAKYHEDSMRQ-FYJGNVAPSA-N	510.487	6.706	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1ccc(Cl)cc1	409094060	CXCZHLSCYQVTJD-DEOSSOPVSA-N	511.361	5.918	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)OCO3	409108879	YPGAWLVKTOFUPW-QFIPXVFZSA-N	501.753	6.173	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(F)c1	409113455	IHJKUSKCRLDWJV-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3c(Cl)cccc3Cl)cc2)cc1	409128958	JKXMVIGOBZCFBE-XODNFHPESA-N	516.450	5.703	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)n1-c1cc(Cl)ccc1Cl	409130658	UBKGFDXLUHLVMR-YPXUMCKCSA-N	515.293	7.091	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1	409185499	MBGXSINJKPPDKK-IAHSBRENSA-N	644.591	6.883	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(I)cc4)c(Br)c3)cc2c1	409186753	HLCCHLASAFEXCX-MUXKCCDJSA-N	619.253	6.542	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2ccc(Cl)cc2)cc1	409217554	DEYOEAHGMAGCFL-ADTVGRDBSA-N	548.983	5.616	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc(Cl)cc3)c2)c1	409219206	ODVJRDSHQVIHQQ-AAZFPYNQSA-N	711.794	7.509	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1	409222655	CXUYTJNDNSISBQ-ADTVGRDBSA-N	519.985	5.326	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12	409225875	RVWYUKJIZRGWRC-QJYRWMSASA-N	605.050	5.534	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409225979	RZALSVGHEYFUPN-UHFFFAOYSA-N	700.727	7.009	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	409227929	XNNONAILNBRWCN-NRYNUYRZSA-N	756.791	7.417	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409242358	RFJMJXLDDYPQRC-MBLGYRQZSA-N	503.690	7.346	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409257272	PRZCATDEOKKGQF-WQRHYEAKSA-N	601.828	5.825	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)cc1C	409261992	GQPIOSNRQLCVIS-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)ccc1OCc1ccccc1	409262100	CQBJYVROKSXXFH-QMRORBIVSA-N	715.826	7.624	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409267510	NBMYNOHSNMJUAT-RQRWGXNHSA-N	766.061	8.300	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1	409270712	HJZBEQJKPLJBOD-ODLFYWEKSA-N	549.381	5.537	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)ccc1OC	409310248	SSARGQBGOYJJFH-NUJZUDFISA-N	530.408	5.491	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409310695	CJQNZYVWKXMDKI-YADHBBJMSA-N	606.926	5.228	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)ccc1OC	409314516	KYWANLPQRMTFHN-QDTIIGTASA-N	596.703	6.615	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1OC	409318555	WUEDEFCQOBZPKA-KYHGBAKBSA-N	626.345	7.505	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409333847	JWGWXHAVSMRUKC-KYHGBAKBSA-N	679.939	6.312	50	40	KKGB	
Cc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1	409370847	BSWBEPQXFAGSAW-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	409374096	YPWJLUBEJUNZTQ-BCHBDCPOSA-N	527.191	6.480	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc(C)c2)c(Br)c1	409374153	ZGYWMPSSKOIQNV-MUFRIFMGSA-N	503.396	6.262	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(C)=O	409394790	FWMJTOQIIVURGR-UHFFFAOYSA-N	656.489	6.523	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1	409395748	RFYMCEWUXOYYSL-UHFFFAOYSA-N	749.765	9.024	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)cc1OCC	409395837	SGGJPFKTNFYDJV-UHFFFAOYSA-N	689.006	8.648	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396339	MHDBZTZMVQXHJD-UHFFFAOYSA-N	697.451	7.840	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccco1	409396529	YVEVSSVKHZRNRP-UHFFFAOYSA-N	733.154	7.541	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)[nH]c12	409397171	HBLYATRVMMMJBQ-UHFFFAOYSA-N	511.965	6.627	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(ccc5ccccc54)c3-c3ccccc3Cl)cc2OC)c1	409397499	KMSZGDCPPDZEFV-UHFFFAOYSA-N	604.062	7.642	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409404349	PYGSJQMRDMXXER-CAQPMQTCSA-N	639.490	6.598	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)OC(C)C)c(Cl)c3)o2)cc1	409405118	SDTMFZGPJVCIBY-ZMGVVAQMSA-N	564.038	6.014	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	1529547110	ITKIBRUVRQUXCU-HVJLQFNCSA-N	692.021	6.119	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	2059297	ZWUPLBQPQDBPNV-GGJIVPGBSA-N	523.998	6.744	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CC[C@@H](C)C2	2284482	OBPNPXGRCJLBSV-OVGFGYAMSA-N	528.552	6.874	50	40	KKGB	
Cc1ccc(NC(=S)NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(C)c(C)c2)N3)c(C)c1	2793938	AGUBKZSRNPFQBR-TZIWHRDSSA-N	516.593	5.408	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1	9246771	JUVWBAIGVBAWIN-LMQWDOQGSA-N	509.437	5.761	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	13597797	VXBHIPBGIOUVTB-QQXSKIMKSA-N	506.975	5.128	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1	16157609	IPSMEPUXHKJUGT-VUTHCHCSSA-N	503.546	5.026	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	20059471	GPXPPAHCDBRQMW-NJZRLIGZSA-N	511.647	5.969	50	40	KKGB	
CC(C)(C)c1ccc(/C(CCCCl)=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1	20468024	JOPRBRWYYOVTPA-JJNGWGCYSA-N	518.488	8.006	50	40	KKGB	
CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(NC(=O)C(C)C)cc3)c3cccc(Cl)c3n2)cc1	22837271	VBJZJKHOAJYIPY-FZKWRIDDSA-N	513.041	6.866	50	40	KKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccc(Br)cc1	27548459	AALAHIWFYFBGID-CPNJWEJPSA-N	504.815	6.960	50	40	KKGB	
CCn1c(SCC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)nnc1-c1ccc(C(C)(C)C)cc1	31875828	DANOBRGXILYHJH-FSGOGVSDSA-N	513.667	6.297	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1OCc1ccccc1	59646378	RPVFZGAEWQGESU-DAUMYKHFSA-N	551.668	5.812	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(C)cc2)cc1Br	59856996	OICKDZFDZOSOQF-UHFFFAOYSA-N	592.600	6.738	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C	70697427	DFUXHMHWOWANRY-FUGQLMCZSA-N	567.836	10.525	50	40	KKGB	biogenic
Cc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c(C)c1	98046364	PSSXLCREZXGFSL-DOPJRALCSA-N	508.092	5.928	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048781	DEZWQEQBTWVWKM-MGBGTMOVSA-N	665.171	6.992	50	40	KKGB	
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)cc(Br)c2oc1=O	100063243	KYIYLEBQZQHVRI-OPEKNORGSA-N	530.172	5.331	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	100090670	YNBFZIDAXCUXSZ-DEOSSOPVSA-N	544.504	6.711	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccc(Br)c1	100842480	YDDYBDIFNGDKQP-MYYYXRDXSA-N	543.537	6.379	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)COc3cccc4ccccc34)c2C)ccc1I	100952160	CLOWJJUHBFUONC-MBTHVWNTSA-N	537.401	5.689	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C(C)C)cc3)N=C3CC(C)(C)CC(O)=C32)cc1	102506570	CXENVJKWTOWAOE-MHZLTWQESA-N	515.679	7.096	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)N=C3CCCC(O)=C32)ccc1O	102580810	MVYKIPZVRFKMMY-QHCPKHFHSA-N	540.439	5.805	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	103890944	UOOAWXFKRIFKKD-NDENLUEZSA-N	576.307	8.552	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(Br)c1OCc1ccccc1Cl	108219149	RCUJMJKBKIILKU-ZMFRSBBQSA-N	503.780	5.550	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@@H](C(C)=O)[C@H](Sc5ccc(N(CCCl)CCCl)cc5)C[C@H]4[C@@H]3CC[C@@H]2C1	118934478	CRLGZAAQVVSCHY-DLGUDECVSA-N	622.699	7.400	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)c1nn(-c2ccccc2)c(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1C#N	150365120	UDERPQWBRUBSRP-NKWSKDDXSA-N	719.426	10.467	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1	150408856	KEPWSFRHPXPUEO-UMFSSWHCSA-N	626.509	6.907	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12	150472726	HPTLOEMGDFECHV-CIAFOILYSA-N	653.860	7.529	50	40	KKGB	
BrC(Br)c1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1	163588599	KKTYIAGAGAAHSK-UHFFFAOYSA-N	636.391	8.636	50	40	KKGB	in-vitro
CCOC(=O)c1cn([C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)c2cc(F)c(Br)cc2c1=O	200390349	ABRLFILUFAWDIN-HXUWFJFHSA-N	514.508	6.299	50	40	KKGB	in-vitro
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408568520	KEMPJCPIYQREHX-MZJWZYIUSA-N	588.505	5.944	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Br)cc2)cc1Cl	408579007	CIIMYRFSTKVUPB-VCHYOVAHSA-N	516.222	7.146	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccccc1Cl	408587357	FPIILSHPEYDMAH-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)cc1	408606051	LEALTVSWYFCLBV-SFHVURJKSA-N	514.409	5.467	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408642789	NVRKIZKQJYMCKR-ZPAWYTMASA-N	663.165	5.639	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408654379	QKCYELUDJLHINN-UDZALUMHSA-N	793.690	6.340	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(Br)cc1Cl	408689772	SPNVZDJTGKYVAE-YVSFHVDLSA-N	588.669	5.012	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408746461	DMTNSTNHWPXFJC-SXGWCWSVSA-N	581.091	7.643	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2Br)cc1	408747560	PPJIZASKPCTYLQ-NHDPSOOVSA-N	540.255	6.322	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408764285	WOOUGJKQQBAPRF-UNOMPAQXSA-N	569.433	5.282	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1cccc2ccccc12	408787581	CCHKJCOBYWMUAL-MFKUBSTISA-N	511.021	7.633	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(C)c1	408790687	XQMGXYRFALKOAS-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1cccc(F)c1	408792439	BLMOTNVTTCEURM-QGMBQPNBSA-N	576.793	6.525	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccccc1Cl	408793179	DFMCTYMEYMSREN-BUVRLJJBSA-N	603.900	7.815	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408805906	IFJIKGSDHGHRGL-RGVLZGJSSA-N	570.281	6.962	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408816226	JDNGWEDORNUONX-KQWNVCNZSA-N	544.424	7.120	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)c(OC)cc1Cl	408827643	LSEIAHNNTWEQBG-DEDYPNTBSA-N	543.963	6.543	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)Cc2ccccc2)cc1	408831896	WBILNKFDJAAZHG-SEBMTOOBSA-N	721.257	5.674	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408839107	NCBYKMXPOAGHLS-IRWBXMRWSA-N	672.421	9.519	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)c2cc(Cl)ccc2OC)cc1OC	408842076	NVBHEWMLHRABRK-AJBULDERSA-N	588.126	5.421	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1Cl	408844427	IPHGLNREMPLBPD-MUXKCCDJSA-N	574.802	6.432	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408846171	QXSQOMLEEOABTO-OEPDXVHDSA-N	698.042	9.474	50	40	KKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C	408854099	XNYKTKRLZVHCPT-GXBUFBABSA-N	537.063	7.286	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408855291	BXYSSRDJDQWYAD-KEIPNQJHSA-N	662.790	5.179	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1cccc(C)c1	408855965	GSOZOCFWAIHBOQ-UHBFCERESA-N	533.422	6.584	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1	408857740	WHXQFSIMVSAQHP-WBIBEUCMSA-N	708.369	8.302	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1)c1cc2ccccc2o1	408857941	QKHDHDHSNKXHLX-PPDIBHTLSA-N	593.190	6.282	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc2ccccc12	408862961	JOYMREAWKNMJNW-MLEMOKSJSA-N	535.069	5.204	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408871072	XRBCZOLPFXAAAQ-LQKURTRISA-N	528.417	5.599	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1	408871356	YNPQHLXOGZZHFE-JFLMPSFJSA-N	504.439	5.210	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	408886609	KSULMSDKZPCIKT-PXLXIMEGSA-N	511.375	6.676	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccc(C)cc1	408886723	LPPTYLCZUQGQNM-REZTVBANSA-N	638.245	6.948	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl	408887356	PZDPQEFJIPSUJS-VCHYOVAHSA-N	542.375	6.434	50	40	KKGB	
COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2OC)cc1	408888803	AXZUHKBQDXZKSV-GZTJUZNOSA-N	507.886	5.030	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)CSc1nc2ccccc2s1	408895996	MJMVNZZSZUJAIK-ZVBGSRNCSA-N	529.279	5.462	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)c(OC)c1	408952972	LCQXUMONQAQEBE-MTYJQCMISA-N	748.574	5.752	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(O)c(Br)c1	408969690	SBOGVVZXNFDDER-BTFRVVBNSA-N	579.278	5.107	50	40	KKGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1	408973144	SFLRUGURTLMIAB-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2C)cc1Cl	408976657	BNKJXTJDIMJNKQ-KHCQRQCYSA-N	513.041	6.067	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)C(N)=O	408990271	KDTCDIJGLOOTKU-MHWRWJLKSA-N	501.549	5.000	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408999245	QHMLHOLQENDWAO-IQZQLMGCSA-N	588.104	6.632	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409004138	ATHARWKIHCNBPP-KVAAJVFYSA-N	646.980	6.576	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1	409013026	JVTUGPDJPLLMPC-DPOBKKJDSA-N	591.448	5.619	50	40	KKGB	
CC[C@H](C)n1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc21	409017134	FBPBPSXLGRSMMC-BTIIEKFUSA-N	564.221	6.490	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025168	NAVCJUWGCCHPQI-OXDIXYSQSA-N	578.090	6.016	50	40	KKGB	
CCOc1cc(Br)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409040249	SRPLEYDONWNRHW-NTFVMDSBSA-N	504.384	5.836	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1	409043654	SQYZJWHOHJNAFP-LICLKQGHSA-N	557.198	6.244	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(O)cc1	409085864	OTDJWUWXZYYPHB-NTUHNPAUSA-N	538.265	6.964	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)S(=O)(=O)c1ccc(Cl)cc1	409117497	OXGWQZBJFDMWDY-HNSNBQBZSA-N	593.149	6.109	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409200471	ILMCVXNUJRWCKD-RPPGKUMJSA-N	520.394	5.732	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409223108	GKJQPJADMKSWTA-PPDIBHTLSA-N	504.757	5.588	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409227379	YBJFYIIPSZGYCJ-UHFFFAOYSA-N	586.000	5.703	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccccc3)cc2)cc1	409227772	WOMRHTNRUBNSNU-MNBJERMJSA-N	511.965	5.884	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	409235977	DQIIFXDLRNRXPS-ZRGSRPPYSA-N	565.193	5.531	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)cc1C	409267326	SXKBCNUHYSFCAB-ODLFYWEKSA-N	538.829	6.283	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409310604	VZYOWTVIAYHUBD-CNCDYAKUSA-N	638.393	6.904	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OCC	409312673	GGVGTPOQZNVQHU-MNBJERMJSA-N	523.029	6.354	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	409318480	YIUMENYKFLCFFY-MJXLXAJKSA-N	701.799	7.234	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OCC	409319651	JSISHVSVRBNYLT-MBTHVWNTSA-N	551.448	5.631	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	409358155	KOTZKUFFGAGKDK-ZDLGFXPLSA-N	533.647	7.517	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409371834	IPIMWTACJBXJSO-ACXHZZMFSA-N	551.430	6.581	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Br)c1	409374100	YDULGCPNAMGVDS-OKCVXOCRSA-N	546.421	5.701	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409379697	YLFYQILSVWMBLX-LGJNPRDNSA-N	517.221	5.353	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)c(OC)c1	409383874	MVVOXOACAVRPCD-UVHMKAGCSA-N	578.257	5.580	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)[nH]c2c1	409392827	SHASUZSVMCBKFC-ZDLGFXPLSA-N	551.340	5.517	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)cc1OCC	409397375	JFFQZRBZPHGWLS-UHFFFAOYSA-N	565.601	6.755	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397594	LPPHHGFGYZEMRK-UHFFFAOYSA-N	582.827	7.380	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409398905	WIAZIONSQDKCTM-UHFFFAOYSA-N	566.057	7.433	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)Nc1cccc(F)c1	409404195	PGLCEGOXEFYBGF-GZOMZLSJSA-N	659.114	7.239	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)OC(C)C	409404371	QAFTUYDUEBXZED-DLCNMLRHSA-N	699.542	6.364	50	40	KKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409406570	XDUAWFKRHAZXHW-KMUKQRDJSA-N	568.073	7.571	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1	409409975	SGBSZTQBZLNIIB-UHFFFAOYSA-N	504.502	5.382	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(F)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1798222	SYRMSGJNOMPSBZ-OCSSWDANSA-N	501.631	5.922	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)c(Br)c1O	2784939	RTBZIAXPOREBLS-UXBLZVDNSA-N	530.998	5.234	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1	3301472	QVGOAARILUYFEP-VFLNYLIXSA-N	547.391	5.053	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C(\C)c3ccc(-n4ccnc4)cc3)c3ccccc3n2)cc(OC)c1OC	12499425	BGKSQGCDIMDNNZ-HNSNBQBZSA-N	521.577	5.267	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCC(=O)Nc1ccccc1	35519985	HKRDXXQBQQSKCD-CPNJWEJPSA-N	512.591	5.070	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	59432756	DRSHEHMSRQDSJA-HYARGMPZSA-N	513.391	6.736	50	40	KKGB	
CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1	97959739	DWHGAGJAFNWXDC-JFMMFFJDSA-N	726.378	5.242	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)c2C)cc1	97980408	WAPFVJJBNYHYGJ-MOHJPFBDSA-N	532.666	5.213	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1OC	97980729	WJCBCPPSSGJXGR-HNSNBQBZSA-N	616.099	5.775	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1	100129768	NDSPMRSUTOLCPR-HWIUFGAZSA-N	556.732	5.403	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1	100336283	PMOAIDFWMQEPJA-MFOYZWKCSA-N	589.773	5.986	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1	100405738	NGIHEBXGABSVRG-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1	100878859	ZXBHTRHIPPHFMS-UDWIEESQSA-N	540.988	7.254	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1OC	100879163	VKIORVMEEULHDO-UDWIEESQSA-N	544.504	7.554	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1	100991257	DAWKPGXEJQNHOX-FYAMCCBRSA-N	532.463	6.131	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl	102933838	FUMJOMTUVCGOTL-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OCc1ccccc1Cl	102934495	KPEAQKROMYXDSZ-VCHYOVAHSA-N	556.800	6.452	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OC(C)C	103843703	NQACLBSFMQDYGJ-ODLFYWEKSA-N	543.405	5.224	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1F	103884230	KOGJNNPQVJFDAC-KQWNVCNZSA-N	564.455	5.822	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(OC)c(OC)c4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699799	YXKBRFJGUABPGN-FGXGQWQFSA-N	525.605	5.471	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cc(Br)ccc1O	112255815	NCIDJSKXKBXNIM-LUOAPIJWSA-N	517.210	6.228	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342062	SVPCIQNDESBODH-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
C/C(=N\NC(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	150351984	QVRVCHZLVYHEMR-PQDGVMIBSA-N	684.634	5.264	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc2ccccc12	150364189	GLVBTPLUQGNACG-LPYMAVHISA-N	642.415	7.987	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1)S(=O)(=O)c1ccccc1	150385327	HTEZPKQQAZXZGT-FDALDRLYSA-N	645.612	7.869	50	40	KKGB	
CC(C)(C)[Si](Oc1ccc2c(c1)C(=O)c1ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc1C2=O)(c1ccccc1)c1ccccc1	169807341	ZGFREXSUGWTKFN-UHFFFAOYSA-N	717.026	8.340	50	40	KKGB	
CCOC(=O)[C@@H]1[C@H]2OC(=O)[C@@H](C(=O)[C@@H]2CN(CCCl)CCCl)[C@H]1[C@H]1CC=C(CC2=CC[C@@H]([C@@H]3[C@H](C(=O)OCC)[C@H]4OC(=O)[C@H]3C(=O)[C@@H]4CN(CCCl)CCCl)CC2)CC1	263613189	YZPKFJWODMRSRW-CRRMDOQLSA-N	904.753	5.461	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)ccc1OCc1ccccc1	408538831	CGNOBGKWQHCCFK-OHUYPAJKSA-N	634.483	6.687	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)c3ccc(Br)cc3)cc2OCC)ccc1OCc1ccccc1	408540832	WHVWJEDYJBEZAT-JVWAILMASA-N	618.955	9.122	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C	408547027	QNUUNRVJTAOIAZ-KGENOOAVSA-N	562.600	5.616	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccccc1C#N	408551486	DAUBQHLZTFHFFS-SRZZPIQSSA-N	587.499	6.656	50	40	KKGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408609604	KLARBOFAKWIXGV-XODNFHPESA-N	535.225	5.101	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(F)cccc3Cl)c(Br)c2)cc1	408611063	PSSGDQJPMURTKF-KKMKTNMSSA-N	518.770	5.218	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408638959	DTUFYPVEADVNRU-NDBXHCKUSA-N	702.783	5.721	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408658102	UVJJDJYXRKYSQZ-HLFFMGMJSA-N	654.506	6.378	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(N2CCCC2)cc1	408676647	LUTMFMYMRBAUOF-WKULSOCRSA-N	547.280	6.699	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc2ccccc12	408740646	HUSSITWASCQFNK-ZSTTVQMRSA-N	753.640	9.921	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccccc1	408743209	RNHHXVRNEWRFGG-UCQKPKSFSA-N	530.365	6.569	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)cc1	408745500	MYMYCUPDRFXSRW-ODLFYWEKSA-N	650.254	6.338	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408745677	OERLVQMZCZTEJN-PXNMLYILSA-N	522.215	7.433	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccc(I)cc1	408771503	HJYYTDZZTZFWQT-BKUYFWCQSA-N	530.406	5.429	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1cccc(F)c1	408794644	JWOXWQYOUUGSPG-RQZCQDPDSA-N	544.320	5.269	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2Br)cc1C	408798420	DZPJMZROXJYNEY-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(I)c1OCc1ccc(Br)cc1	408800010	MRIBPCVUOCELIL-UURSIYQISA-N	623.329	6.633	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408828698	IWZFOFIHTCLGQM-AVLPFNLUSA-N	602.716	6.488	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)cc2)cc1	408833964	KRNCUBWEQUMOEC-PCLIKHOPSA-N	598.453	7.369	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408838466	FOUWSQHYQHBPTB-CCVNUDIWSA-N	551.466	6.406	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408840927	DQOCJZGONCYKNI-VWJSQJICSA-N	657.974	7.074	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl	408850053	DVEXOYCHVFECEH-DBSPGSINSA-N	642.981	8.610	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2cc(Cl)cc(Cl)c2)cc1	408862216	DNFXXLIJACQYHK-WCMJOSRZSA-N	552.483	5.899	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408869413	DAROVTOKWZEWLG-RPPGKUMJSA-N	626.099	6.154	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1ccccc1	408877408	VSWYCPIDGVKLRE-GVTYAQIQSA-N	518.395	5.155	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccccc1Cl	408885885	GJEROZURYHZLLY-RQZCQDPDSA-N	591.245	7.187	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	408887862	RQRGNFNGLVOIRV-GZTJUZNOSA-N	530.205	6.829	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cc(C)cc(C)c3)c(OCC)c2)cc1	408889872	KFCZVMKHAMRCMI-OEAKJJBVSA-N	549.465	6.988	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408890906	IGYOZJVNQFNXHP-RPPGKUMJSA-N	530.831	6.065	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3cccc4ccccc34)c2)cc1	408898989	YWPUJDWZTQEJNE-KOEQRZSOSA-N	506.558	6.150	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	408927081	XWQLXPSBIGEDIM-LQKURTRISA-N	552.996	5.238	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCc1ccccc1Cl	408953323	XMPGDEPAHACJLE-MUUNZHRXSA-N	627.550	5.457	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408964738	RUIZVRSEYJNSKJ-PUHLOBNQSA-N	560.403	7.763	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408971753	KQZPLSNZKBAGQY-WNGBFMCOSA-N	624.952	6.871	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(OC)c(OCc2ccccc2)cc1Br)c1ccccc1	408979606	NFGCBRNMYQCOJZ-BGEOKWEGSA-N	554.441	5.364	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1	408990611	LDKGYBMAHMHFHT-XNTDXEJSSA-N	503.521	5.810	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)ccc1OCC(=O)Nc1ccccc1OC	409020773	TUYBOAKCVYKADK-VVEOGCPPSA-N	580.852	5.601	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409025037	KJGBFKHDVTYILW-FABQOPTDSA-N	659.592	6.162	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1	409040926	ZBVRUYCDLHDGHZ-HQDYHJHZSA-N	600.900	7.669	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)c1nc2ccccc2o1	409047023	MAGMSXWSQBYAON-LICLKQGHSA-N	510.185	6.996	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2cccc(Cl)c2)cc1	409123727	DLPSWPFAAVLHOV-BIZUNTBRSA-N	558.059	6.001	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Br)cc3)cc2)C2=C1CC(C)(C)CC2=O	409135314	YHLXIJITSLKMFS-RUZDIDTESA-N	536.470	5.411	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)C2=C1CC(C)(C)CC2=O	409148785	RSLKCZBJBYCSGT-AREMUKBSSA-N	635.386	6.726	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OCC)c2)cc1	409174537	NDXFFBQUFGULPV-VTNSRFBWSA-N	623.504	5.136	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	409175517	SBPDGQUVIUOIMG-KBVAKVRCSA-N	611.493	5.051	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(Br)cc3)cc2c1	409186749	HKIXSMUTUPDMQE-MUXKCCDJSA-N	572.253	6.699	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409225287	OAAQRPWIMJGNGR-DMPRRNAJSA-N	598.999	5.892	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Br)cc2)cc1	409226642	VVFBRWJQTIFHLG-MUXKCCDJSA-N	542.817	5.680	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccccc1C	409257064	NRFVEVLNIWRZNE-ZDLGFXPLSA-N	601.828	5.825	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409257853	QUAKXDXMTUOPFW-QDTIIGTASA-N	565.251	5.936	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4)cc3)CC2=O)cc1	409258934	YISFCBUILYZUDZ-GPUKMNDYSA-N	520.427	5.094	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)cc(Br)c4OCC(=O)Nc4ccc(C)c(C)c4)cc3)cs2)cc1	409260147	LMKJDPZLIOHFEW-ADJDCTSUSA-N	747.513	8.785	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409262015	HAUYGYKSGFHKNP-WSDLNYQXSA-N	548.437	5.315	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)c1	409263058	KCBZTKMGAMGAHH-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409266586	QBRXXMYBVREYOG-QDTIIGTASA-N	520.800	5.827	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl)Nc1ccc(Cl)cc1	409268810	AVHVLOINZHDQTD-ZRGSRPPYSA-N	521.198	5.537	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409311925	IMCQUYRULHXMSG-VQTJNVASSA-N	603.311	5.809	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(F)c2)ccc1OCc1ccccc1	409318305	UTBIKIIEAVMEQP-KYHGBAKBSA-N	518.972	6.410	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409321869	VGUQIQGKZCGLNG-MZFJOGFUSA-N	595.073	5.858	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	409361973	FAQFEJWJQBTSSR-XJECJHNESA-N	630.101	7.136	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1	409373617	RKNSIJGIYSDDFK-NTFVMDSBSA-N	518.367	5.782	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)cc1OCC	409394739	FHBXVBDANAZKKT-UHFFFAOYSA-N	853.189	10.210	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc(Br)cc1	409396520	YTZZGUWWPWSTLK-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409396617	ZJOHKERICYWBNN-UHFFFAOYSA-N	556.449	7.742	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(OC(C)=O)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397162	GZHAYOXCNHBLEX-UHFFFAOYSA-N	626.065	6.804	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)cc1OCC	409397306	ILVFGKQLPICYDB-UHFFFAOYSA-N	572.621	6.487	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397634	MDNTVKSDOYIELO-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OC(C)(C)C	409405455	UDEKYKCRBOBZTR-OHUYPAJKSA-N	608.533	7.369	50	40	KKGB	
COc1cc(/C=N/c2cc(Br)c(O)c(Br)c2)ccc1N(CCCCl)CCCCl	1872997	OGDLEBKFMAPJBG-DHRITJCHSA-N	553.122	6.741	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2-c2ccccc2)cc1	2382989	QJLXWXYQWRYFFX-JVWAILMASA-N	535.471	5.005	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	2395788	ZVBOBPMDGLSPLR-DGDHUYAWSA-N	521.708	7.184	50	40	KKGB	
Cc1cccc(NC(=S)NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(C(C)C)cc2)N3)c1	2794103	STUXEFYUAWTWDM-PZJWPPBQSA-N	516.593	5.607	50	40	KKGB	
Cc1ccccc1[C@H]1C(/C=N/NC(=O)CSc2nc3ccccc3s2)=C(c2cccs2)Oc2ccccc21	8386690	UYCWQRNYGCIAAE-NVNXYZKKSA-N	553.734	7.496	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	14152197	VENFDWTXTWVHDH-CPNJWEJPSA-N	507.575	5.955	50	40	KKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	28215122	AGJQCIWNBFSGSU-FDAWAROLSA-N	507.615	5.657	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccc(Cl)c(Cl)c1	32576848	LGXAQGQHXSSSKG-PPDIBHTLSA-N	503.842	6.287	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccc(Br)cc1	59435288	DRTXSTFVISLREK-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	83301754	UIWYWLOVWKCDLS-OOHCFEELSA-N	501.410	5.935	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1ccc(Br)cc1	97960865	QULMGGJYJVNRIU-CPDSRJINSA-N	599.279	5.877	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCC(=O)c1ccc(Cl)cc1	97965050	LWTVXCMAEZNSQR-ZDLGFXPLSA-N	555.870	8.105	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccc(Cl)cc3)=C(C)N2)c(OC)cc1Cl	97999722	SMYNCSRLSVNVRA-MUUNZHRXSA-N	609.535	6.717	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CSCc2ccccc2Br)c1C	100100534	UYCMEZZYOKLBGQ-KKMKTNMSSA-N	563.359	6.619	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1	100104538	MKYDKWWGRRQIPJ-VTNSRFBWSA-N	586.928	7.115	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100127017	MIJLCENOTPLYIQ-STBIYBPSSA-N	566.039	5.001	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(Br)cc1	100336313	MTCVIZAEXUPYBN-ODLFYWEKSA-N	556.254	6.653	50	40	KKGB	
O=c1c2c3c(sc2[n+]2c(n1-c1ccccc1)CC[C@@H](I)[C@@H]2c1ccccc1)CCCC3	101365977	UUKZGBARWOSNLT-YKSBVNFPSA-N	539.462	5.558	50	40	KKGB	
N#CC1=C(S)N[C@](O)(C23CC4CC(CC(C4)C2)C3)[C@H]([n+]2ccc3ccccc3c2)[C@H]1c1cccc(Br)c1	102889242	WILQYOYRSQXGCH-KOFDICKOSA-O	573.580	6.388	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	103776299	YCJMFKAGLAIBIE-VWJSQJICSA-N	537.498	5.901	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cccc(Br)c1	103878018	NMEBKPHKGFZTOL-UCMJSZAQSA-N	599.326	8.100	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	103901104	PLWMWULCYUHJQO-KCSSXMTESA-N	577.625	5.547	50	40	KKGB	
C[C@]12CC[C@H]3[C@H](CC[C@H]4CNC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)COc1ccc(N(CCCl)CCCl)cc1	104118635	XACVDPCGRAMKST-FRVFYJQRSA-N	577.593	5.806	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)c1ccco1	112254740	SEVVHESZHCMJQG-XYBWIPTLSA-N	556.405	5.553	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	118918309	ZODHPXNJFNZLJV-NAEHCMMRSA-N	597.722	9.946	50	40	KKGB	
O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1	150416883	URWBJFXBDIRUIH-UHFFFAOYSA-N	636.145	5.776	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)ccc1OCc1ccccc1	408539120	TVUPOUQPMVFVBJ-FSJBWODESA-N	716.348	8.943	50	40	KKGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)c1)Nc1ccc(Cl)c(Cl)c1	408554064	YSULXNZACFICAG-ULPWCQAASA-N	510.299	5.794	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(Cl)cc1	408568601	KPNLUPOGWLFWPY-RWPZCVJISA-N	529.083	5.935	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1	408570151	SAYLWIKKNMQTFR-CCVNUDIWSA-N	587.517	5.734	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc2ccccc2c1	408570825	YZTQDACCMOVYND-BIZUNTBRSA-N	558.725	6.825	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3c(F)cccc3Cl)CC2=O)cc1C	408602643	FBVPURJGKRRKMO-QGZVFWFLSA-N	516.400	5.825	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	408607948	FWWOKALIKVCIBQ-AMVVHIIESA-N	532.855	6.439	50	40	KKGB	
COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)c(C)c2)CC1=O	408643745	RLOACDFVFXUGFH-SBUWESJJSA-N	668.766	5.042	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408644098	QRNYIXKNLGVIKQ-NDBXHCKUSA-N	792.231	5.739	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408736600	DMGBDEXDCMJEPZ-MDRZYHCXSA-N	551.987	5.433	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)cc1	408745038	OWJDMCDOLXVPDH-BKUYFWCQSA-N	568.411	6.132	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(C)cc1	408745077	JPMBKJUIULHFPT-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408764174	SGCJVQPMBVQNIP-PDGQHHTCSA-N	508.361	5.759	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408764298	RAHWBOKYQMZRNZ-TYBAKLTESA-N	616.578	5.579	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Br)cc1	408766759	RNEZIRDTHWRBNN-UNOMPAQXSA-N	556.254	6.735	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(I)cc1	408776466	OJKPHJGAOBIUSJ-ODLFYWEKSA-N	565.249	5.793	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408793369	DTOJQTFSYPMTRD-CIAFOILYSA-N	579.403	5.457	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408798715	WRUDFTKFGVSHDO-QGMBQPNBSA-N	594.720	8.241	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408821382	GXDVHEFDOKJKQN-PLRJNAJWSA-N	555.656	5.924	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	408822764	BYQOGRCYUQWLBR-KBVAKVRCSA-N	582.078	5.414	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408825722	BOZVYSKVVKFJBE-ODQASSKESA-N	739.903	7.959	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408827008	LZPOBSJUXAWNLJ-SEBMTOOBSA-N	705.258	5.974	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OC	408828556	HSQNVBFFBXCRFC-STKMKYKTSA-N	585.682	5.428	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408835445	XMJGPEKMPCFYMH-AFUMVMLFSA-N	573.476	8.014	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OCc2ccc(Cl)c(Cl)c2)c1	408837098	YVEUNIJUYTZGNF-PCLIKHOPSA-N	573.476	8.014	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408837693	LJKGLLUANKDPJH-KVAAJVFYSA-N	603.066	6.420	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408838833	JAKHUBOPAZJQMA-XZYGTATASA-N	628.106	7.197	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408842720	AUPFYZQUDJDJQX-FDVSRXAVSA-N	564.392	6.184	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408847205	PYBUDNXEDIIMKE-QFEZKATASA-N	584.901	7.582	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408848368	VZJJOEMTFGOOAK-WKULSOCRSA-N	612.493	6.638	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	408865126	BCYCPVNTZCACRI-WEMUVCOSSA-N	555.656	5.419	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3Br)c(OC)c2)cc1	408873612	TUDXDOXLXHBBER-XDHOZWIPSA-N	570.281	6.755	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2ccccc2)c([N+](=O)[O-])c1	408883968	SJYYWCRKKXCBML-GZTJUZNOSA-N	522.311	5.131	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408887668	SIWFAPJODLLADW-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3cccc(Cl)c3)cc2Br)c1	408924677	PZKVCYIPJCBQBV-RPPGKUMJSA-N	536.651	6.516	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408935402	DTINOFCQQLZOCQ-BJUCDSOZSA-N	545.083	7.141	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	408944253	IVPUWTRRJDMBHP-NDEPHWFRSA-N	706.446	6.220	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1Cl	408951022	KRUHXIPZPNRAFZ-JMIUGGIZSA-N	599.312	7.091	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)c(OC)c1	408957327	UDHSHHFPWHUNMD-PDQWDMBESA-N	703.949	5.549	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccccc1C#N	408963762	PCCLRLMIMMIFEI-XODNFHPESA-N	504.886	5.218	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408963803	PLAIJCYARMQBHG-VPUKRXIYSA-N	635.072	7.336	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408968900	CNQLEMKZVIFESA-VVEOGCPPSA-N	592.273	7.252	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	408972214	NQVBJLFQCXTDEC-MKLXCSEFSA-N	648.587	6.925	50	40	KKGB	
CC(C)Oc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408972402	SXDZYXFSLJQYHZ-SRAHWNQUSA-N	621.359	6.188	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408980020	PNTQVVLLDKWZCV-AWLRXGSOSA-N	512.009	5.931	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2I)c1	408985880	YPJOBUCUDOGHLB-NDENLUEZSA-N	542.804	6.686	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(I)cc1	408988751	JFDIQKPMMWKGPP-UYRXBGFRSA-N	528.777	6.378	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc(OC)c1OC	409000607	ZIHIFHHOBTVWQM-KVAAJVFYSA-N	666.912	6.364	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409005906	GIHBJJQHYHECJS-QJOVZPHJSA-N	566.702	5.917	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1	409010609	CRMZZPHCEKJCEK-OXCCTMSTSA-N	545.083	5.711	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	409013367	JZBKWINPHZWWCA-MOFCHLBVSA-N	550.870	6.355	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc21	409018215	TUFIYBDVDUYRNG-IDPOGUJKSA-N	637.564	5.856	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409022621	DATPRPOBCAHUQG-KYMQWJLESA-N	582.665	7.507	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c1C	409025390	QOVVCIABPOVYHR-RGVLZGJSSA-N	540.255	6.953	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409066012	ADNNVGYGEJNRBL-HYARGMPZSA-N	537.443	7.254	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409066818	MJNZYHJCOWGVKX-GZTJUZNOSA-N	561.841	5.733	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409074327	TVYZGEBEQVLYSL-GZTJUZNOSA-N	608.841	5.575	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)Cc2cccc(C)c2)cc1	409110742	GGRGWINJJHQPSB-AJBULDERSA-N	527.646	5.437	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccc(Cl)cc1	409149164	YJPMBULXNFVRMY-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccc(Cl)cc4)c(OC)c3)c2)ccc1OC(C)=O	409221962	BXRMSRUQGFAFFS-XBWROJKBSA-N	642.064	5.918	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409242922	WUAHKLCIGATSRY-IPBVOBEMSA-N	645.350	6.225	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409269411	IXYNUZRTZIWYHN-LDADJPATSA-N	554.828	6.064	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)ccc1OC	409316479	XZDVWCKXCLRZSC-MUXKCCDJSA-N	516.381	5.182	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2Cl)NC(=O)C[C@@H]1c1ccc(Cl)cc1	409317360	PXJHMMMNRSYPGU-CQSZACIVSA-N	511.228	5.466	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCc3ccc(Br)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409322192	KYHDPZBTJOHILH-RTBURBONSA-N	570.292	5.826	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccccc2)cc1	409369255	AIDYXAVDOLBYNH-FZPRHHONSA-N	661.405	6.676	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	409372054	DVOBUVXIWSNDHX-KCSSXMTESA-N	539.429	7.107	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409385082	HGBKDENDNAHNGW-XDHOZWIPSA-N	507.930	5.737	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394416	AEMONGFQAYZLOU-UHFFFAOYSA-N	754.184	9.669	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395472	NZLOOPJHCYMYNW-UHFFFAOYSA-N	729.798	8.475	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396154	DBIDPVYWPSCOTI-UHFFFAOYSA-N	533.584	6.225	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409396369	XZUNJRWPMLTKMD-UHFFFAOYSA-N	561.947	7.490	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)cc1	409396630	ZODGFIURVWDOJX-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397205	HJLMSDKJPBFSSD-UHFFFAOYSA-N	568.029	6.797	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)c1	409397210	HKXSCIJZWQMSKM-UHFFFAOYSA-N	514.541	5.698	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OC(C)C)c([N+](=O)[O-])c3)o2)cc1	409400212	CBEKTDQJRQJBDA-MNDYBZJGSA-N	550.999	6.379	50	40	KKGB	
CCOc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409403617	NPGIAXCCCDFWEN-MNDYBZJGSA-N	709.322	6.638	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OC	409406822	CZKFGOCRVNOCRK-CDLBOOTPSA-N	781.454	7.800	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCC(=O)Nc3ccccc3)o2)cc1	409410104	TYCFYFYVVLABDT-VHFSBPNMSA-N	675.967	7.463	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	1529546650	GFTXQYPEZICZDQ-XINRNAFCSA-N	828.442	5.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccc(C(=O)OCC)cc1	1529548468	HCLOUPWQZROUOS-NZDCISMZSA-N	744.064	5.743	50	40	KKGB	
CN([C@H](c1ccc2ccccc2c1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C	1857795233	XBSXYNDYLLPLCL-VRLMBGIESA-N	535.693	7.081	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1	659892	YXSSHVKLVATSEV-AFJIDDCJSA-N	536.588	5.619	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1	2280437	NDHPIJWBBGATAP-JVWAILMASA-N	521.737	6.072	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(F)cc1	4196383	MLDGVNFVDHAUAK-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C5CCCCC5)cc4)c32)cc(Br)c1O	5920875	CGWGEIYZNJPHFA-QFIPXVFZSA-N	535.442	6.209	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3cc(Cl)ccc3N[C@H]2c2ccccc2Br)[C@H]1Cl	8440883	RBCMVAUBLNSVGY-KBNSAFIFSA-N	550.305	8.049	50	40	KKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	30821996	GFIDOSSDPYAITL-COXSBDCDSA-N	522.514	5.347	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OCc1cccc2ccccc12	35494385	QNGVDFPXGQROMK-YKQZZPSBSA-N	517.423	6.273	50	40	KKGB	
C[C@@]12CC[C@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O	42490730	ADFOJJHRTBFFOF-DDTUGOMQSA-N	520.390	5.299	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	59853301	NUCYTWCQKUIGLW-FMFFXOCNSA-N	579.053	5.467	50	40	KKGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)c1	97980727	CZQZYSKTZHPOQJ-FMFFXOCNSA-N	611.680	5.130	50	40	KKGB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccc1Sc1cc2c3c(cccc3c1)C(=O)OC2=O	100039557	PLLMDHIKYVVURE-HAHDFKILSA-N	540.000	6.674	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nnc(NC(=O)c2ccccc2)s1	100791973	XBNCGGVKBYLUBX-UVTDQMKNSA-N	522.340	5.785	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3cccc(Br)c3)n2-c2ccc(C)cc2)cc1	100830336	OWQRUDWXKOLMOR-VEILYXNESA-N	550.482	5.646	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCc2ccccc2Cl)N1	102807335	KRVRPXRIAPRQKK-VWLOTQADSA-N	540.903	7.915	50	40	KKGB	
N#CC1=C(S)N[C@](O)(C23CC4CC(CC(C4)C2)C3)[C@H]([n+]2ccc3ccccc3c2)[C@H]1c1ccc(Cl)c(Cl)c1	104029439	UETOMYZMPXKZIT-OYQBMZCVSA-O	563.574	6.932	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccco1	112254508	TXQQVRSNVOQTKN-XQJPNMLHSA-N	566.411	5.009	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342021	GKVKJQHWIRLHBA-REOHCLBHSA-N	792.030	9.658	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342181	XEMQCKIIRCMJKH-UWTATZPHSA-N	842.037	10.293	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	150385653	PFMVRWFPEWBZNM-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)c2ccc(C)cc2)cc1OC	162482795	UQDVIKMTLPNZIZ-XZYGTATASA-N	696.620	6.016	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	216062356	CLRLLEBAUYCOJW-RWPZCVJISA-N	531.834	6.243	50	40	KKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cc(Br)cc(Br)c1O)[C@@H](C)CC(C)(C)N2C(C)C	223593539	KYQOWXWCIFDXTP-OJMOCAQPSA-N	551.323	6.490	50	40	KKGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1	254309920	LDENIJIWBUXUTI-TYJRUTEVSA-N	581.345	5.587	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)c(C(=O)OCC)c1C	408547421	WPMAVQUDABNPNY-UDWIEESQSA-N	614.489	6.609	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550251	CBECODTUVRWCPV-FXMZOFOKSA-N	585.669	6.199	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	408567446	DYRFVWHWXSWBJY-CCVNUDIWSA-N	577.953	6.689	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408583988	ZDBWKZPSATTWMF-LICLKQGHSA-N	540.326	6.529	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCc3c(Cl)cccc3Cl)CC2=O)cc1	408604963	JHYLYQAQEFZDHY-MRXNPFEDSA-N	530.408	5.086	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1	408611173	VIEHRLDGBRPBKX-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408685945	QNVDBAWLEZPNPB-MHORFTMASA-N	634.108	5.381	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1cccc2ccccc12	408712060	XRWBZOQLVOZOSZ-WKULSOCRSA-N	615.265	6.558	50	40	KKGB	
CCCCCOC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)OCCCCC)cc2)cc1	408720791	ZNFUNHVBPOPBDW-UHFFFAOYSA-N	514.811	5.922	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cccc(Br)c2)o1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408732951	UQCSUPBBBWMSAJ-BVMLUPFRSA-N	573.472	6.112	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)ccc1I	408746947	IHQBBPOEKHTOOS-MNDYBZJGSA-N	645.291	6.567	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408758524	LTQMTEASWDEMFO-PXNMLYILSA-N	810.993	7.388	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(Br)cc1	408766001	YKHSVPLZTBCDMW-ZDLGFXPLSA-N	635.150	7.497	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc2ccccc2c1	408788936	GOGCXSSJDJKGML-LPYMAVHISA-N	594.836	7.231	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408795480	LILDVDZJWNSLRC-BUVRLJJBSA-N	652.372	8.858	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408797690	SNRSKJPODSRISL-LICLKQGHSA-N	651.198	5.929	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(I)cc1	408797750	SOXLSBJIHQOCGF-PCLIKHOPSA-N	664.927	8.047	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408797781	SZFICIYWDRMWTA-UDWIEESQSA-N	627.391	5.509	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1	408819682	RDVYGKNMDOHCCE-FBHDLOMBSA-N	628.264	5.736	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1	408829118	NXBQXQBYHDGJAH-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c2cc(C)cc(C)c2)cc1OC	408833915	WZYCDUBSVADLTK-XZYGTATASA-N	696.620	6.016	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1cccc2ccccc12	408841383	IQEVTCMJMHFWOX-ODQASSKESA-N	669.523	8.102	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccccc2F)cc1	408845966	WYFQAGFGBVDHIM-XAZZYMPDSA-N	528.531	6.316	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1	408847312	UYAFNMNFSPSDAV-QNVXDBMFSA-N	681.395	8.514	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4ccccc4c3Cl)cc2)cc1	408849048	XTZSMRYHGRQDGB-KVAAJVFYSA-N	662.949	7.561	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1	408850781	RBWMNWMGKVPREV-WBIBEUCMSA-N	633.373	8.865	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1Cl	408853327	RCDAOXXLZDBSBT-ICUTVXMZSA-N	564.085	7.848	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2cc(Cl)ccc2C)cc1	408863758	PUODHYWLAFQBQZ-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)c(OC)c1	408867768	NINYDETXVQGODT-KEBDBYFISA-N	571.855	5.931	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408871109	XUDYGFFZWJFQAX-JFLMPSFJSA-N	533.875	6.323	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408872007	IYRISBZNJLYXCD-GIJQJNRQSA-N	637.352	6.742	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1Cc1ccccc1Br	408873392	QLMPRXFBBWDAKN-RQZCQDPDSA-N	594.225	7.375	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	408883564	RJDMCKZSYDGIDJ-RIYZIHGNSA-N	528.268	5.429	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OC(=O)c1ccccc1	408886207	FGJFXOLGIYBARF-UZWMFBFFSA-N	573.443	5.453	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccccc1Cl	408889619	HWEVQDICGIAQKH-GIDUJCDVSA-N	658.663	7.293	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Br)ccc3ccccc23)cc1	408889920	KZROYXQFLJCBDJ-HAVVHWLPSA-N	511.419	7.289	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408890974	JIJNLITXDJLXIY-LGUFXXKBSA-N	568.651	6.286	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1	408895740	OBYBNJHNBSLRFP-IZZDOVSWSA-N	503.254	5.624	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1	408924334	MUIRKZQWKKDZAG-UZWMFBFFSA-N	566.720	5.846	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)c([N+](=O)[O-])c1	408924841	OVBMUAKVPKKVGE-RQZCQDPDSA-N	617.250	6.262	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2)c(Br)c1	408942016	FDKWDUYTKMWFLK-MHZLTWQESA-N	672.001	5.567	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)cc1Br	408944170	IOSFWMIYGBQVGH-LJAQVGFWSA-N	736.472	6.229	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2cccc(Cl)c2)c(OC)c1	408948568	CVVQEJSIZRQWLL-VVYBVRPNSA-N	811.855	6.015	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408952768	VTURADWXZXFWOU-GLJXUZQSSA-N	669.551	7.534	50	40	KKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)c1C	408960417	LNBHUJSMTWXYEN-XODNFHPESA-N	557.286	7.000	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1cccc(C(F)(F)F)c1	408963394	NTVDMLNVRCEWSV-VPUKRXIYSA-N	546.170	7.118	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccccc1Cl	408989691	LHVQZUIECWAVQZ-MVTHDEHNSA-N	576.053	5.029	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)c1	408994002	FBPNTSAYCBGQEB-YVLHZVERSA-N	655.170	8.050	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O	408996014	GLTAWROWMAHMAJ-HSQGAQFPSA-N	543.215	5.333	50	40	KKGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	409006453	NYEMIADPNWHJBC-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc21	409012453	KDIDTGAZNLKZHN-VVEOGCPPSA-N	623.248	6.438	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccccc1	409022456	OQHZDGUDENTPEV-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1Cl	409032570	JXXFSZABYXHETR-QMRORBIVSA-N	682.345	8.165	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409073586	WDNHEOCAPWIRGQ-SFQUDFHCSA-N	531.373	5.093	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(Br)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409078674	HUXYPDPPXRODKH-NVJOKUIPSA-N	648.122	7.102	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409079463	GBJHRXBPECMRMN-OQLLNIDSSA-N	566.319	7.657	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Br)c1OCc1ccc(Br)cc1	409125957	BJTQUIFGWNHRPX-HXUWFJFHSA-N	560.246	5.439	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccccc1Cl	409129189	FYSQNBOWJYUZJQ-QHCPKHFHSA-N	574.802	5.846	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	409142994	STZGXZBZGKRIEF-OKCVXOCRSA-N	582.292	6.645	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1cc(Cl)cc(Cl)c1	409170604	WNRKYSIIKJLOML-IPBVOBEMSA-N	554.217	5.407	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1cccc(NC(=O)c2ccccc2)c1	409184568	GZCRFQSIQMOUCC-LZBRRTOVSA-N	545.687	5.411	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc(Br)c1OCc1ccccc1Cl	409185342	XOURGOIRDBYNMP-YNCTYVJUSA-N	547.902	6.462	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OCC)c1OCc1ccc(Br)cc1	409196204	XNGWGMUUNFMNOX-JCMHNJIXSA-N	509.444	6.121	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409214167	WJFZXTVURNLNKH-IPBVOBEMSA-N	588.738	7.239	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C#N	409216738	KZVXUFPILGXWNB-IPPBACCNSA-N	514.434	6.085	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(I)cc1	409216842	OXQHPAVXSMQEOC-DHRITJCHSA-N	536.822	5.766	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12	409216880	PIUCUFHPKVPNSZ-FJEPWZHXSA-N	525.457	6.977	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-]	409221935	BSPMKLNKUWLZCR-ZMGVVAQMSA-N	607.406	6.146	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)cc1	409224094	IYTYMSUNQLTVJJ-XSFVSMFZSA-N	534.410	5.719	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409225256	KEJACHXQKLZZSX-UUMRFZBWSA-N	548.437	5.568	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccco1	409225317	OFDIGMUVRMTPNM-UHFFFAOYSA-N	531.952	5.567	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc2ccccc2c1	409229152	KKPIHEUCLGMSBU-UUYOSTAYSA-N	628.388	7.596	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409239117	BYLZXIKJVQMTMB-YVLHZVERSA-N	674.198	7.039	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409245070	MZAVWPFLLKAYDQ-YVLHZVERSA-N	627.198	7.197	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)ccc1OCc1ccccc1	409309098	BJATUUMQPRSELY-KMUKQRDJSA-N	577.052	7.198	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1OC	409316473	XXSCTKATSZDVSE-NTFVMDSBSA-N	527.415	5.598	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)ccc1OC	409322271	JOTDRKKYWIXGNO-VYYCAZPPSA-N	562.258	5.962	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OCC	409336464	SRPNOVGPVYJHRG-MNBJERMJSA-N	569.496	6.687	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409360528	AMOIIQDQBGHJTH-KKMKTNMSSA-N	507.215	5.897	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(C#N)cc1	409368150	ULXRDUCOFWGOAC-WSVATBPTSA-N	657.076	7.717	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2F)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409369181	GSDLXTDSIPBDLQ-DBFSUHOCSA-N	536.456	5.399	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1	409371838	QMWONPLNDFKUEH-ZDLGFXPLSA-N	561.173	6.605	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)[nH]c2c1	409374584	UITQORRZCRONFL-ODLFYWEKSA-N	535.341	5.817	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)c(OC)c1	409383715	CDJQGSFRWAGLSS-UVHMKAGCSA-N	625.257	5.422	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409386072	OGEMRKWQUNGBFL-OKCVXOCRSA-N	559.600	5.978	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409396557	ZBHXBFCXPCDLSM-UHFFFAOYSA-N	697.369	7.913	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409396921	CZNDJRTXIGVORP-UHFFFAOYSA-N	597.285	8.432	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409399318	ZKMCHJGPTWJLMZ-UHFFFAOYSA-N	597.458	7.395	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCC(=O)Nc4ccc(F)cc4)c(I)c3)o2)cc1	409400156	BRSWUACCXIBKMO-ADJDCTSUSA-N	832.408	7.396	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1O[C@@H](C)C(=O)O	409405037	RVBBTWYPSIPJHR-ZBLBMXTLSA-N	571.630	5.619	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OCC)c1	1529548466	HCCMLQLSXBXKBJ-OGEPBOSOSA-N	695.636	5.620	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccccc1Cl	1529548785	NUEPIHALUCVPLE-YLDRGEGNSA-N	677.223	5.931	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1cccc(Cl)c1	1529549405	YASQJNAVNVIJDL-JKYKOXDNSA-N	844.897	6.013	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(SSN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1	1751048	XSPNAJACXIPIEM-UHFFFAOYSA-N	556.756	6.606	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1	1801619	PLSLRWUPFRGVFI-UVHMKAGCSA-N	541.420	5.700	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1897751	FHKFZFTVLFOENG-FADJLKOXSA-N	575.738	7.150	50	40	KKGB	
O=C(NNc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2)c1ccccc1	2271997	UPRVNSMHFLPMHE-UHFFFAOYSA-N	504.634	5.668	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1c(O)ccc2ccccc12	2705891	IVIWNXCCBNBPPR-WKULSOCRSA-N	559.445	5.249	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	4081815	KCNRWZPZYLPLLQ-AJBULDERSA-N	544.743	6.818	50	40	KKGB	
Cc1ccc2occ(/C=N\NC(=O)COc3ccc(Br)cc3-c3ccnn3-c3ccccc3)c(=O)c2c1	8448325	LZXPXPQEUVEBLR-MNDYBZJGSA-N	557.404	5.246	50	40	KKGB	
CCCCn1c2ccccc2n2c(C(=O)N/N=C3\C(=O)Nc4c(C)cc(C)cc43)c(-c3ccccc3)nc12	9110355	GQQTYKONEVVFDG-UHFFFAOYSA-N	504.594	5.459	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1Cl	59291930	LSFQFYAKCDRJDD-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc(O)c2ccccc2n1	97946851	GHDWISPSNBPVGF-PYCFMQQDSA-N	548.628	5.037	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccc(Br)cc3)cc2[C@@H]1c1ccc(Br)cc1	100035377	UGFYPCHXFAYJPI-IHUOHLDMSA-N	525.200	5.886	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	100081375	BTNKBWRFEOHOPK-DPNNOFEESA-N	597.568	6.870	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccccc1	100122711	GQYZLSQFGXEGDF-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl	100226593	JCDWYZXFBZLZGN-WQRHYEAKSA-N	593.248	7.121	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2ccc(C)cc2)cc1	100242986	LBQQQROXCPOHHF-AJBULDERSA-N	544.677	5.147	50	40	KKGB	
CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1c(C[C@H](Br)CBr)cc2c(C)cc(=O)oc2c1C	101509869	PINXDZNNUYASCS-UNMCSNQZSA-N	623.338	6.111	50	40	KKGB	
CN1C(=C(C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)N(C)c2ccccc21	102922545	XVJNRXXPKASZJK-MNDPQUGUSA-N	532.625	5.830	50	40	KKGB	
O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(COc2ccccc2-c2ccccc2)cc1	103041812	OMUAQQNVQCMCHE-UHFFFAOYSA-N	583.710	5.572	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	103889567	CINHDIWRDOPKEX-GHXNOFRVSA-N	578.031	6.471	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)[C@H](c3cccc(Cl)c3Cl)C3=C(CCCC3=O)N2)cc1	137175249	FYPREFCKKCHOPO-SANMLTNESA-N	553.555	8.116	50	40	KKGB	
CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCC	150382836	LZSNHQOLTDNQCS-ZQNUVBILSA-N	680.691	9.706	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795501	VAIKOVMVYSDELJ-VXKWHMMOSA-N	898.424	14.061	50	40	KKGB	
CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(/C=C/[C@@]13CC[C@@](Br)(C(=O)C1(C)C)[C@@H]3Br)[C@@H]2Br	222189798	KCHBNJFXKOPVID-INDJKHJHSA-N	616.026	6.115	50	40	KKGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	254309918	LDENIJIWBUXUTI-KHCREIHQSA-N	581.345	5.587	50	40	KKGB	
COc1cc(COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	408539895	ZVFKJEGDDBVHNE-DIBXZPPDSA-N	504.586	6.707	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OCC)c(OC)c2)c(C(=O)OCC)c1C	408546389	IPTKQYMWYYOMKK-CXUHLZMHSA-N	564.454	5.299	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553062	WMYSJPRZXUQRFS-RGVLZGJSSA-N	590.446	6.100	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408641571	KNNXZSVXZHRVBZ-SSTJLMRISA-N	690.172	5.408	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408643564	GFXHWNAXMQYAGA-VZJUQIMDSA-N	804.242	5.595	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	408687352	UOZLUUGJRZOEAZ-VPUSJEBWSA-N	597.292	7.790	50	40	KKGB	
CCOc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1ccc(Cl)cc1Cl	408742563	RRTARBTUGSSBKN-UKWGHVSLSA-N	517.416	6.980	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	408747516	PASRSJGCWJSKFQ-KCSSXMTESA-N	535.427	5.967	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OCc1ccccc1	408748265	AZJDKKHEZQBLIN-MZJWZYIUSA-N	603.507	6.121	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408759518	GKZRJJZHJHOGRM-YVLHZVERSA-N	604.198	6.087	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408768462	FTMSJBOXYKPMRX-OCKHKDLRSA-N	607.275	7.348	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCc1ccc(C)cc1	408784241	ADEFQUUQFISKNT-DBFSUHOCSA-N	568.333	5.970	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c(C)c1	408788538	KWRXUTILVWTISN-QGMBQPNBSA-N	656.145	8.102	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(OCC)c1OCc1ccccc1C#N	408790135	UBZHUAWHBXFENG-BUVRLJJBSA-N	542.433	6.573	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2I)c1	408796418	OCRPETQBHZHYJE-YZSQISJMSA-N	600.456	7.303	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(Cl)c1	408802790	HKRIPMGPZNLJLA-KEBDBYFISA-N	525.830	6.853	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1F	408819818	SAMNPJDUPVDOIM-NDENLUEZSA-N	535.800	7.519	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838932	KLNQPKIZJHWVJJ-PTEHHBOZSA-N	778.297	9.571	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccccc2)cc1	408839458	SOPAWNBJCSSHSC-AABVJFSESA-N	667.368	8.206	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408847238	UKDWTYWGOBRTRG-YSYOEVFLSA-N	733.611	8.965	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408858727	OUXPSOLNEWICIS-KCSSXMTESA-N	595.121	5.419	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	408861711	GDHDFHBCNXAGDW-KVSWJAHQSA-N	568.320	6.727	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(C)cc2)cc1Br	408863873	RNOKDRWPPIPPMM-QLQYKETESA-N	672.601	6.844	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408864550	XDNHWTOYWBIZCF-MHWRWJLKSA-N	508.874	5.893	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl	408867915	MRRKTLKTFGAPBU-OKCVXOCRSA-N	521.404	6.282	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408871281	YOJBUHQKBOHEHF-RGVLZGJSSA-N	601.282	6.816	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408880529	KIOLLXFVRQUNCL-RQZCQDPDSA-N	579.221	6.731	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904746	NYSMDMUELPFEEU-BCHBDCPOSA-N	502.285	6.130	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)c(OC)c1	408956233	PZYKHHWDQZPAGF-QBQWNGAHSA-N	774.419	5.248	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408998262	AVYDMBUKJZUSQO-ATZGPIRCSA-N	621.433	6.536	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc2c3c(cccc13)CC2	409028036	ISTFVMZRJFIMFS-OKCVXOCRSA-N	538.456	5.591	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1cccc2ccccc12	409036979	WUEIRPNXOHHETL-NNLKUIAGSA-N	630.542	8.559	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1OCc1ccccc1F)c1cc(-c2ccccc2)nc2ccccc12	409041420	VULHPTQJCRVLKW-KVAAJVFYSA-N	680.315	7.751	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccccc1	409043960	GANXGVMOKSXKLY-DEDYPNTBSA-N	581.410	5.562	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(O)cc1	409053299	BUICDHPVBTUYQI-VIZOYTHASA-N	508.188	7.130	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409131499	JFJYVGHORFABAI-RUZDIDTESA-N	584.486	5.558	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3Cl)o2)c(Br)c1	409158545	OWNVIPRGRHWFNU-BXPUGBIQSA-N	530.850	5.966	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C(F)(F)F)cc2)cc1	409169390	QADXXVVSBMDROR-VWJSQJICSA-N	621.410	5.363	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1	409183256	ACWNRLHLCCXCCE-UVHMKAGCSA-N	533.875	6.074	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(Cl)cc1	409194096	NULGAOWIVJJTBT-WYMPLXKRSA-N	535.725	5.196	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCC(=O)Nc1ccccc1	409207900	CHUWXFIAMKHKOQ-UNOMPAQXSA-N	522.355	5.838	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1	409213683	UIQRQEDRKNVUAX-RPPGKUMJSA-N	524.267	6.577	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	409227652	ZYEBOQFZJRHDQR-ZVOAHRFESA-N	593.552	5.067	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409254054	WIZUTFJYBLSMSA-MUXKCCDJSA-N	524.961	5.045	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409256584	MDNAWNCSRNHIAG-NDENLUEZSA-N	533.968	5.007	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409309157	CIIIKFKBJGHUDX-NVJOKUIPSA-N	568.302	5.950	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OC	409320779	FCJQUXXKVUIXCT-DICXZTSXSA-N	579.856	5.208	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OCC	409322851	LTODUCSQAZUDPH-LJUMEUDFSA-N	645.494	5.577	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(I)cc1	409369699	WGILVVZOHILYNP-WQRHYEAKSA-N	550.621	7.350	50	40	KKGB	
COc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)c1OC	409370765	DSHZFTXGLKMJBA-QDTIIGTASA-N	615.333	5.114	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1	409371275	FJGYDBGBGIJWAA-GRSHGNNSSA-N	560.775	6.895	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1	409373279	PQHHTLNXBCNBCK-MUFRIFMGSA-N	519.395	5.962	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	409373921	WWXOLBSZLIOJRU-ROTLSHHCSA-N	503.298	5.082	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)[nH]c2c1	409374412	OVZKIMADPSRFED-APSNUPSMSA-N	547.667	8.237	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3cccc(C(F)(F)F)c3)[C@H](OC(=O)c3cccc(C(F)(F)F)c3)C(=O)O)cc2)cc1	409376680	COCOFVMWZFZWCR-SVBPBHIXSA-N	745.585	5.582	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCc1ccc2ccccc2c1	409393433	XFJQRDHVUINDRD-QRVIBDJDSA-N	601.444	7.371	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)cc1OCC	409394838	GMYOJYZOOBVRPC-UHFFFAOYSA-N	752.403	7.983	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409396134	WQVFTQPPXMVKFU-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)[nH]c12	409396319	XQORBXLLTAGCPX-UHFFFAOYSA-N	635.345	8.450	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409396711	AJIOKDBUSGMVJG-UHFFFAOYSA-N	632.044	6.645	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397353	IYMVUGYCTMBUJM-UHFFFAOYSA-N	571.555	7.154	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409398233	RVHLMMQRJTVMRK-UHFFFAOYSA-N	630.926	7.941	50	40	KKGB	
CO[C@@]1(C)O[C@H]2O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O1	1083805669	KJOXQJMJZSWNTR-YWTMIQCDSA-N	572.815	6.810	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1	1529546187	DMEXJXAGFAQYNE-MKEMXLLOSA-N	797.897	6.171	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(F)cc1	1529549000	RSIYAWDZJSCCOP-GHUOZWDFSA-N	616.715	5.018	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F	1857608830	POTUUCUOBIVSIX-BDUCEWPUSA-N	957.007	7.746	50	40	KKGB	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc([N+](=O)[O-])cc1)N2	1778896	WZBLEGNQVBQJFL-OZDPOCAXSA-N	581.094	7.024	50	40	KKGB	
CCCCCC(=O)NNc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2	2270599	KSHMPOKURWOZKM-JOCHJYFZSA-N	506.691	5.822	50	40	KKGB	
N#C/C(=C\Nc1ccc(I)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	2588199	HWFIXLFUWZMEPB-JLHYYAGUSA-N	576.213	6.260	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1I	2669540	HQOIRLDDNSMQNQ-UKTHLTGXSA-N	509.130	6.404	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1ccc(O)cc1O	3305903	ZSXDXTREZAQIDK-VULFUBBASA-N	548.231	5.664	50	40	KKGB	
COc1cc(/C=C(\C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(F)cc1	4196377	DOQJWVXFEQHMQG-GIJQJNRQSA-N	517.192	7.002	50	40	KKGB	
CC(=O)[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](C)[C@@H](C(C)=O)/C(=N\NC(N)=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	4266915	OWHOMSYXRWWYIM-RYHJRWMESA-N	563.780	5.496	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1F	8744387	XWAIAAVUIKMLID-XMMPIXPASA-N	512.566	5.177	50	40	KKGB	
CCc1ccc([C@H]2C(C#N)=C(N)OC(CSc3nc(C)c(C)c(C)c3C#N)=C2C(=O)OC(C)C)cc1	8934390	BMTBQDNFOLFSQP-DEOSSOPVSA-N	502.640	5.247	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1	9018916	KYOMJMPBAWEAKT-FYAMCCBRSA-N	515.566	5.067	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc(C(F)(F)F)cc1	9042731	AZOYDNLRRWGNCO-IPPBACCNSA-N	521.996	6.365	50	40	KKGB	
Cc1ccc(-c2csc(N3C[C@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)n2)cc1	9591764	OXDMWHOFRYGEAL-NQIIRXRSSA-N	500.979	5.034	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1	16226365	XYSSLNJBUBVVBP-MZJWZYIUSA-N	512.422	5.492	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c(C)n1-c1ccc(Cl)cc1	25424686	KOEPIUYMHUORIF-CVKSISIWSA-N	513.044	5.374	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(I)cc1	33353496	OAOYBVDWSDPRIE-RUMWWMSVSA-N	657.961	6.803	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(Cl)cc2)cc1	59858722	TWTIKJFUTDZYOJ-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccco1	97946465	BSFASAIOFPFFPZ-HZHRSRAPSA-N	569.448	7.241	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1	97970877	GPGFYQWCXLRDNP-DFKUXCBWSA-N	532.065	6.198	50	40	KKGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CC(C)(C)C3)c1	98006214	DPTWKHKVOPHQEH-XMMPIXPASA-N	627.714	6.807	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)SC(N)=C(C#N)[C@H]1c1ccccc1Cl	98043751	ZSLIEEXPUNNXCC-HSZRJFAPSA-N	537.110	6.009	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2cc(Cl)cc(Br)c2O)n1-c1ccccc1	98045823	NRKVQQFMAQTDID-NAXYESRQSA-N	725.838	6.545	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	100063054	UWBWHAPVYCTHAN-RHANQZHGSA-N	531.410	6.125	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126283	SVZSLYKKOCWEPB-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2cc(Cl)cc(Cl)c2)cc1	100138907	FSSYAIGURPMHHA-WKULSOCRSA-N	542.444	5.506	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4Br)c3C)cc2)CC1	100290264	CYQAZXINKDDSNS-KEIPNQJHSA-N	600.561	5.951	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(OCc4ccccc4)c3)nc3ccccc3c2=O)cc1	100859118	UPYBWFURTWGWOU-HNSNBQBZSA-N	580.666	5.224	50	40	KKGB	
CC1(C)[C@]2(C(=O)Nc3ccc(SC(F)F)cc3)CC[C@]1(C(Br)Br)[C@H]2Br	100867873	MVGNVPKHTRSMIC-SSKCKEOISA-N	562.112	6.626	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	101273243	CTVGRZTZGIKNBK-QHCPKHFHSA-N	547.986	6.156	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(OC)cc2OC)=C(C#N)[C@H]1c1ccccc1Cl	101305196	WVEGPLWTERJMQP-HHHXNRCGSA-N	590.101	6.125	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N=C2CCCC(O)=C21	102516943	UHFRIZPWLOIEIF-SANMLTNESA-N	501.652	6.652	50	40	KKGB	
CC(=O)N/C(=C(\Cl)SCc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102618049	FVVKMOFNNZIBIN-ZIADKAODSA-O	503.027	6.415	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)NC(=O)C[C@@H]1c1cccc2ccccc12	102808627	YWKVKVXACBNDQJ-XMMPIXPASA-N	552.055	6.435	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccccc1C#N	103844389	OTIZCTCXLAAVNC-FMCGGJTJSA-N	555.432	5.656	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1Cl	103891054	HYEAPAAYNFXTJS-YBEGLDIGSA-N	520.185	7.020	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)NCc1ccco1	111463654	ATAOHVLPDZPZTG-RQZCQDPDSA-N	610.189	5.291	50	40	KKGB	
C[C@@]1(C(=O)N/N=C(\COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccc(Br)cc2)NC2(CCCCC2)Cc2ccccc21	150345692	LFKWUAWKLLIWAB-YZDYTODOSA-N	680.731	8.580	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	150433784	HXHXODREXHZJBI-BIZUNTBRSA-N	655.640	6.323	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	150490655	RFRCMRKRYFFLQR-FZPRHHONSA-N	645.565	5.772	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	198320522	DCLUMVAAAKEMEP-RQRWGXNHSA-N	680.532	7.336	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408526852	HJJSORQQRAJRQU-RPPGKUMJSA-N	597.101	6.082	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408542306	KMFKSEIBAUCHCS-OCKHKDLRSA-N	613.364	5.421	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)c1ccc(Br)cc1	408581237	VHQJMJVJLCDYNT-RQZCQDPDSA-N	582.517	8.271	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1c(F)cccc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408602708	FJVUATLXSUQSIQ-AWEZNQCLSA-N	522.791	5.861	50	40	KKGB	
CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1	408610141	MLNBUJWSQNPDGF-VFLNYLIXSA-N	547.826	5.316	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408676078	DSSKMPABFDKLOH-MUFRIFMGSA-N	542.861	6.054	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(I)cc1	408743243	RRQJQOSZCHTFPY-UYRXBGFRSA-N	510.331	5.424	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408744278	KAYOFRGQOBQNFH-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)ccc1I	408747308	LXQAZINENCHIDA-KKMKTNMSSA-N	705.128	6.318	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1F	408747661	RDURAAXNSIGPCF-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccccc1	408748217	AGWASWOJVREGSA-VULFUBBASA-N	532.232	5.953	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Br)c1	408753731	HOWXWNLVPMLLEC-APSNUPSMSA-N	730.094	6.691	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408755446	NTJAVJMNMCYGJZ-CPNJWEJPSA-N	615.395	8.666	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	408765272	VAFLIQHMEKDEAQ-HMAPJEAMSA-N	561.863	7.779	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1	408781019	PYLZYAWOIUXTOJ-XHLNEMQHSA-N	507.656	5.037	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408798693	WOFIRKOKEPRMHK-GIJQJNRQSA-N	556.800	6.452	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408799627	ZQVIHXNQMRKLLW-FRKPEAEDSA-N	685.643	6.582	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1	408809692	HPHGXXZPMRHEJD-DBFSUHOCSA-N	606.698	7.353	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408827101	UPFKZZQTQLEIAR-NNRJCLOKSA-N	839.017	7.735	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408831286	QNBYUOKUDNLBBY-WSDLNYQXSA-N	672.790	9.122	50	40	KKGB	
Cc1nc2sccn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408834337	VYLRYGVXNNRJED-YNFMAFFXSA-N	636.970	6.412	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408837645	KNFAVAXTRNCCEO-STKMKYKTSA-N	619.541	5.746	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2cccc(C(F)(F)F)c2)cc1	408837810	OBEWUNOPKWKLOA-KVAAJVFYSA-N	603.066	6.420	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5F)c(Br)c4)cc3)cs2)cc1	408838811	ITHUUJFPRNDZFZ-KVAAJVFYSA-N	615.528	8.107	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(I)c1	408843389	MCVNSDMPXHARNU-JJKQSNDFSA-N	654.427	6.921	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1	408849176	YCQKZPSKFIWZHU-PNEAAFPUSA-N	535.647	7.949	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408855297	BZOOHOPPICFVRR-KBKYJPHKSA-N	553.196	6.016	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1Cl	408865102	AZXJUQJHXCFHHD-QNVXDBMFSA-N	741.875	7.351	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)c2cc(C)cc(C)c2)cc1OC	408881618	JNMQUZNQDPEWHB-ODNPBWNPSA-N	710.647	6.325	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OC(C)C	408883379	QXHMPRPORPNGMC-VGOFMYFVSA-N	530.284	5.651	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1ccc(Cl)cc1Cl	408888174	XNDQGPCVPWJREW-YSURURNPSA-N	554.140	6.129	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccccc1	408900516	VRXJCNQNQDJZKA-UZWMFBFFSA-N	606.460	5.655	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc(C(C)(C)C)c1O	408925662	SPQRBVAKHJVMCI-FDALDRLYSA-N	571.161	8.456	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Cl)c(Cl)c1	408926396	SSDYQTVSGCXQDE-UVHMKAGCSA-N	540.856	5.142	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)cc1	408926766	YIMCCLRVGNQFEQ-LPYMAVHISA-N	504.970	5.958	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1	408942112	FSQUWYJKHHCPSO-HHHXNRCGSA-N	716.452	5.676	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC(C)C	408963589	GWLGBTDXMZNTRE-BKAWKUGSSA-N	665.412	6.587	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(F)cc1	408964489	HFJFNWLORHBMPA-KKMKTNMSSA-N	589.317	5.436	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC	408970733	CTMGCOYZQQHPRX-DTCTZCCKSA-N	636.314	5.064	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408994869	HKBDVTSCWZASFN-VYVUJPJFSA-N	651.566	7.289	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1	408995283	BIBBLYZHEXQOSS-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl	408998591	MJWXNDVUWXSCPE-OWAHBEKCSA-N	585.060	5.378	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1F	409006571	PHJMMGRJTUTAGC-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(-c2ccccc2)cc1	409009005	BBFCWNKKQDPMDE-ACXHZZMFSA-N	638.303	7.638	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OCC	409009770	IBIQYTVYZFEKEV-WYMPLXKRSA-N	569.193	5.527	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1	409015001	RFNGAXNIMMAUKG-SVGYCHNTSA-N	658.110	7.503	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	409020148	ZOTFNVDWZXGNPA-DPOBKKJDSA-N	595.321	6.464	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c([N+](=O)[O-])c1	409113831	ODVTYBZKJZLADV-HQDYHJHZSA-N	630.513	7.706	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409116873	NHDGECMXEOYMPY-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1	409146466	RYUBNCSXFAOLPS-VULFUBBASA-N	534.781	5.225	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)c2)cc1OCC	409219268	KRCNMFCGCKHDJZ-UHFFFAOYSA-N	723.418	7.553	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1cccc(F)c1	409237639	KKVBSNALSZNZHM-KKMKTNMSSA-N	547.450	5.215	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OCC)c2)cc1	409257520	SGMGYTRGVKOAQI-HMMYKYKNSA-N	519.985	5.701	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OCC	409302614	JSYULCRQAKVXAZ-NUJZUDFISA-N	531.392	5.832	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccccc1	409319734	LBPZWRNKWGLEMW-UHBFCERESA-N	621.400	6.409	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1OCC	409320467	BCTHJXWKFZQXNE-MWLSYYOVSA-N	509.990	5.227	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409372605	NCKMBEOERGXRRC-LQKURTRISA-N	517.383	6.196	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1	409372701	ZZCAUQLQVOTFGV-CAOOACKPSA-N	560.202	5.760	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	409372811	KWWKKXGDHNMBIH-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)[nH]c2c1	409392556	QQPFZQIUTZYWFV-APSNUPSMSA-N	606.247	7.135	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccccc1	409394885	HCDNMJZOSRCSPE-UHFFFAOYSA-N	585.401	6.423	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397969	PVDAFTIZSCTJQB-UHFFFAOYSA-N	681.370	8.295	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)c1	409398141	RDGSKLQBDDUFJK-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409399144	YAFNDKWSSIVLIF-UHFFFAOYSA-N	612.480	6.988	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc2c(c1)OCO2	409400387	CQSXKAYFAJDBDH-FDUMAKPYSA-N	751.428	7.871	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC(=O)Nc1ccc(C)cc1	409402228	JFUIBEDMISVISQ-LMOHNTGSSA-N	660.771	7.483	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)o2)cc1	409402647	KJOPOPLKRZQABK-AEUUOICLSA-N	588.491	7.916	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409403954	OTBQSDKUMPHCOD-CPDSRJINSA-N	580.981	5.143	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1	1529546754	HGZXMOMCHOAKFP-XINRNAFCSA-N	828.442	5.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1cccc2ccccc12	1529548340	DASPKGPHGARRQW-GCUJPOOZSA-N	717.642	6.075	50	40	KKGB	
CN([C@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)C12CC3CC(CC(C3)C1)C2)[S@](=O)C(C)(C)C	1857795025	HSEMHHXXQZSRQO-ZECCOMLJSA-N	675.919	9.528	50	40	KKGB	
COc1ccc(-c2cc(C(=O)NNC(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1OC	673377	SZOXPMMLSVZYPP-UHFFFAOYSA-N	511.365	5.692	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1	2670776	HLCRQFOSISKDGY-XNTDXEJSSA-N	514.821	7.500	50	40	KKGB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	2730508	YUZXUDSLNLAZOS-XIEYBQDHSA-N	572.086	6.882	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1	6146233	PBSANLNPDJVBEX-KVQDIILNSA-N	590.705	7.120	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1	35494381	KZBJKQKWQUSZNV-DICXZTSXSA-N	501.808	5.773	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccc(Br)cc1	59291992	KVJYFMOMPBJLDC-WOJGMQOQSA-N	508.328	5.491	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	59883686	PLNICNACPMVMMF-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H](Cl)[C@@H](Cl)c2cccc([C@@H](Cl)[C@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	68563513	QGMPHGMLCHYYHU-CIAFKFPVSA-N	604.186	7.839	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	100062634	GWMAMWSGLWKTBC-XODNFHPESA-N	536.253	6.806	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1	100117753	VNPLICBUVYDWAP-STBIYBPSSA-N	531.410	5.738	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1OCC	100183535	IAWHUTXHVWIRJH-TWKHWXDSSA-N	602.551	5.020	50	40	KKGB	
COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	100372680	VJZAZWRNRVRGOX-ACXHZZMFSA-N	615.495	5.075	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1)Nc1ccc(F)cc1	100952100	QDPFZNGZBCGBMF-ALQBTCKLSA-N	536.607	5.165	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	101094986	YDYXGQMPJQRNPF-QPQMVVSWSA-N	536.426	5.962	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	102808661	UQDSJPHQPVGLFV-AREMUKBSSA-N	583.035	7.065	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	103894681	BUWLZRONIKHWMJ-IPPBACCNSA-N	608.942	5.223	50	40	KKGB	
CN(c1ccccc1)[P@@]1(Cl)=NP(Cl)(Cl)=N[P@](Cl)(N(C)c2ccccc2)=NP(Cl)(Cl)=N1	104382679	BTFIOXNGGHHHCV-WXUXXXNLSA-N	604.938	11.490	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(Br)[C@@H](Br)CCC[C@]4(C)[C@H]3CC[C@@]21C	118923241	VYXNUQWHPGRLNR-UEWDELQXSA-N	530.473	9.389	50	40	KKGB	
CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341474	OFHCQHLRUXWWEN-NSHDSACASA-N	750.262	10.966	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1Cl	150364235	IIZMYCJRIMQBEF-OHUIHDMLSA-N	642.277	5.867	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1C#N	150404144	DOSCGXXFVGPYID-INRUPRTJSA-N	748.199	6.199	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	150469945	PABPQQONMYVZHC-CNCDYAKUSA-N	649.940	5.728	50	40	KKGB	
FC(F)(F)C[C@H](I)CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	169795454	GCTFDAHDTCMDAA-QZTJIDSGSA-N	642.288	9.960	50	40	KKGB	
O[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si](O)(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O)(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si](C1CCCC1)(O2)O3	195831528	UVPNNMSOKAULIN-UHFFFAOYSA-N	875.503	8.335	50	40	KKGB	
CCOc1cc([C@@H]2[C@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(I)c1OCC#N	226385104	DJIUNIKETXIJRI-WCAVRKLYSA-N	581.458	5.458	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	408536805	BEWCIZCZGQFDGX-NVMPUMLXSA-N	540.733	8.365	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1	408541373	ZHFRKHLLQCJZOP-XYGWBWBKSA-N	573.476	8.096	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccccc1F	408542079	GUVHOMMQRFAXLX-GRSHGNNSSA-N	539.357	5.810	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(C#N)c1C	408546359	ICUMAFZIEBBDFE-YBFXNURJSA-N	539.440	6.709	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408551083	AWNNNHBPIUGCSP-VCHYOVAHSA-N	593.459	6.303	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1nc2ccc(F)cc2[nH]1	408569810	QBUKICKPBLTTLG-GRSHGNNSSA-N	671.251	7.708	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(I)cc2)c2ccccc12)Sc1nc2ccccc2[nH]1	408598595	FFVSTCPHQLFWKD-DEDYPNTBSA-N	532.410	6.827	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OCc1c(Cl)cccc1Cl	408604337	IFGWKWPTXSTWOG-KRWDZBQOSA-N	514.409	5.386	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1	408607986	GICJTPLYBJANPD-RWPZCVJISA-N	500.382	5.450	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1OCc1ccc(Cl)c(Cl)c1	408608074	OKGBROSVJGPPHM-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)c1	408640701	BNHWLQAKPMKJRR-ONBABHLOSA-N	779.265	6.239	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408642019	LZGNRFXUXJGQNB-VVEMMYRFSA-N	661.174	5.553	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(F)cc1	408652117	OKUULUATXWOXSX-FFTGTZRRSA-N	647.122	5.151	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)ccc1OCc1cccc(Cl)c1	408719355	CGTREXYQJUTYCH-CCVNUDIWSA-N	503.451	6.355	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1I	408739906	BSKWPXNMMDQXMP-HPNXWYHWSA-N	749.390	8.349	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408755045	MGBOCPXIGTWWRM-DEDYPNTBSA-N	513.941	6.389	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br	408763201	RQEPYQQPSJHROZ-QPEQYQDCSA-N	539.021	5.532	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408790843	RJESQDVQCHKTBB-CXUHLZMHSA-N	654.096	6.646	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1F	408797511	RZZCKJILLXMJCY-CIAFOILYSA-N	570.402	6.571	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1cccc(Cl)c1	408805220	JREOSHBRNMJUFM-SRZZPIQSSA-N	586.857	7.085	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408812988	CXHFNWXSNTWPDU-GRSHGNNSSA-N	546.248	6.567	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccccc1C#N	408816149	KPXZGGLZXLKPEA-JAIQZWGSSA-N	567.358	5.825	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)cc1C	408820136	VNAQBZHJBNYQCQ-BWAHOGKJSA-N	548.712	7.449	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	408827870	HTKQGYLSZQNSLX-QXUDOOCXSA-N	602.688	5.060	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408829900	QIJZCMZTEQTXIV-FABQOPTDSA-N	602.034	6.283	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1Cl	408844610	DTPNZMAFPHARIF-VULFUBBASA-N	502.796	6.236	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)cc1	408845474	NHYNNJPXRFBIKM-QNGOZBTKSA-N	659.389	7.594	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2I)cc1	408849062	UXPWAFFBFDUJIC-WKIKZPBSSA-N	589.227	6.451	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1	408850261	JSAAFRXYGVFYHE-HWIUFGAZSA-N	530.584	6.704	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2cc(Cl)ccc2C)cc1	408855295	BYRSFDLUZIWXDR-IPPBACCNSA-N	523.964	5.321	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1	408856759	LHEKTYGOCUBHBT-OJYCWLPVSA-N	554.477	8.102	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1	408860425	VJZCLAUVOFZLBM-MUFRIFMGSA-N	588.524	5.076	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1Cc1ccccc1Br	408864860	APARWCAURJSVRZ-WOJGMQOQSA-N	574.700	7.400	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1Cc1ccccc1Br	408867741	MTGFEVIUJZIOSO-YBFXNURJSA-N	587.255	6.507	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1Cc1ccccc1Br	408877585	SOSVKSQDVLCCBB-RGVLZGJSSA-N	554.282	6.974	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	408881330	MSWCOUKDDGNDQE-CAOOACKPSA-N	516.768	6.988	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1	408884322	YGUWJKGQFCPUKF-VXLYETTFSA-N	507.930	5.699	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(C)cc2)cc1	408885158	XIYFKQIRRYGLGC-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1	408888414	VGBCZZLMQYWWFD-DEDYPNTBSA-N	501.495	5.075	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2Cl)cc1	408889183	FIVSOVXLMYNMQY-MHWRWJLKSA-N	531.373	5.313	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1	408889333	CQATXJSRBJUURU-YDZHTSKRSA-N	610.448	6.218	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OC(=O)c1ccccc1	408893232	GEVJCCKORMTYDZ-LGJNPRDNSA-N	556.463	5.529	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408904777	OLGVDLRDZAWTQI-ULPWCQAASA-N	677.164	7.802	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(I)cc1)C(O)(c1ccccc1)c1ccccc1	408908813	DHHNTCVIFKAKMI-NDZAJKAJSA-N	562.407	5.256	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)cc2Br)c1	408925271	QVPZLUDIRPJEAF-VCHYOVAHSA-N	652.124	7.249	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)c(OC)c1	408926768	ZFUNONLCKLBNFN-MOEPSENCSA-N	730.410	5.519	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccc(Cl)cc2)cc1	408927128	YEMUBUXXNKNVAI-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1cccc(Br)c1	408945618	WXGPVQHQQXOCFB-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1	408980402	QSAQZUGIFAIEAS-DTWZTBRYSA-N	537.447	6.324	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c2ccccc2)cc1	408980489	RILTVCVOELRHRV-WFWSRXIXSA-N	563.123	5.924	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	408983916	OHSFLFNCHDJTBZ-PXNMLYILSA-N	521.795	5.297	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1	409013066	JYBMGZLWUVBOFE-QHUFTSNSSA-N	659.589	7.481	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	409019956	YJJIEYYZKJFKGB-DTCTZCCKSA-N	589.314	5.222	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409037309	MVVFKINPWXUYGP-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1cccc(C)c1	409048746	TUOVNTXNQJOXCU-XDHOZWIPSA-N	615.855	6.215	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1	409054292	FFVKHGCZJAMUKH-CXUHLZMHSA-N	548.181	6.614	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409075413	YKZPBNOPCVPOQG-WSDLNYQXSA-N	582.394	5.190	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1	409118227	NMYNYBMCMPUVOF-FABQOPTDSA-N	640.089	5.184	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1cccc2ccccc12	409139431	DMDVYMHGSDGCOW-FJEPWZHXSA-N	645.291	6.654	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409160732	INJPTIKUJWMXCO-FLANDWEYSA-N	533.422	5.764	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1C	409173467	NRSOCFXGISDKJR-VTMDLDPDSA-N	618.531	5.961	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409174096	LGGNKNXGWDHYKF-AMVVHIIESA-N	601.885	5.224	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2cc(Cl)ccc2C)cc1	409184903	PBHRSUDIGFSUEW-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cc(Cl)ccc2C)cc1	409186040	VRJJXFCLAZZBBM-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)NC1CCCC1	409190060	VLKDCFWGKNFNGN-SXGWCWSVSA-N	538.667	6.410	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccccc2)c1	409218760	GVQQTVYZGRRPCO-UHFFFAOYSA-N	621.285	6.447	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-]	409225361	PILPBKXIZBQSBA-HJZRDWEFSA-N	613.970	5.791	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(I)cc1	409227123	OZGHFXJNWSPUOU-MUXKCCDJSA-N	611.249	5.863	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccccc1	409232549	QZHNACNIFATGSJ-HAHDFKILSA-N	505.412	5.693	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1Cl	409233986	VFBJEGIEGUBTGB-CTPANLQCSA-N	525.830	6.474	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409261656	CMMCEUSASUIWJT-GZTJUZNOSA-N	528.367	6.094	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl)Nc1ccc(Cl)cc1	409262536	FTDCGOKYMCFFQG-QNVXDBMFSA-N	650.975	8.295	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)c1C	409264493	KMOUINBMAHJCLN-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1	409271026	JKJMHLZTBKFWAF-BKUYFWCQSA-N	517.969	5.307	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1OC	409304460	QXOIMEPATQGTIJ-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OCC	409310027	PHFSGMFERQZAIB-MWLSYYOVSA-N	625.925	5.830	50	40	KKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C)=C2C#N)cc1	409310727	BNOOOZVEGGZKHZ-KRWDZBQOSA-N	502.459	5.190	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OCC)c2)ccc1OC	409321582	IJNMVUNRMSLOLA-MWLSYYOVSA-N	570.440	5.037	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC	409321783	JMADUDNOUKPVLY-MBTHVWNTSA-N	551.448	5.631	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)ccc1OC	409323227	ZRWLEKLEOVKQMC-DICXZTSXSA-N	560.388	5.050	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409336552	PCHZIXLBBDRNFQ-LQNQUEJISA-N	506.071	7.708	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)ccc1OCc1ccccc1Cl	409354993	BOSYPIVIDUPWGR-CCVNUDIWSA-N	516.823	5.642	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409371304	GQCWQIVLFFZHRF-YVLHZVERSA-N	521.213	7.937	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(I)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409373143	QWZFPWVAAVUPMY-JLPGSUDCSA-N	545.380	7.338	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1	409387394	WKWBDRAZWGETME-DHRITJCHSA-N	510.369	5.915	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396532	VXIVOWLUWIKIOY-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397452	KBLIZJJFAHQNBD-UHFFFAOYSA-N	517.585	6.443	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409398077	QFUZUOBNAGFLOR-UHFFFAOYSA-N	581.028	6.266	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	1529545914	BUAOOEINCYMFMB-URFXCETRSA-N	608.720	5.304	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(OCC)c1	1529549383	XKSSGFYDAXCCPH-WTIDAYISSA-N	687.218	6.356	50	40	KKGB	
Cc1cccc(NC(=S)NNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(C(C)C)cc2)N3)c1	2794105	STUXEFYUAWTWDM-FPOVZHCZSA-N	516.593	5.607	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nc2ccccc2n1Cc1ccc(Cl)cc1	5596987	HBQWBZBTNJCCAD-HZHRSRAPSA-N	567.907	9.112	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)cc2)sc2c1CCCC2	6167002	XLDRGKVYUNFERK-DQKNBXDWSA-N	575.731	6.271	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	8383248	IQIDESOZPZIFMU-UQEDWYDKSA-N	837.308	8.485	50	40	KKGB	
COc1ccc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1OCc1ccccc1	8387328	LXRPLOHFAATXLI-BUVRLJJBSA-N	542.616	7.721	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C)=C(C#N)[C@H]2c2ccco2)cc1	12250182	GRVHKGAFNUQXND-MHZLTWQESA-N	512.635	5.857	50	40	KKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)cc1	12529046	QVSYLFYTZYXHDG-NCELDCMTSA-N	508.622	5.861	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)c1ccc(Cl)cc1	13648108	LVKGAAZWSVXHIK-UDWIEESQSA-N	504.970	6.937	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccco1	19939983	HSWLLTMHTBPULU-AREMUKBSSA-N	514.607	5.303	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccccc1OC	20130550	ARKDTPQEYNRVCM-VWLOTQADSA-N	503.624	5.109	50	40	KKGB	
CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Br)cc2)/C(=C/c2ccc(Br)cc2)C1	20528763	QQSDYDQAVZTFIJ-DCINASHKSA-N	513.233	5.302	50	40	KKGB	
CC/C(=C(/CC)c1ccc(O[P@@](N)(=O)N(CCCl)CCCl)cc1)c1ccc(O[P@](N)(=O)N(CCCl)CCCl)cc1	82138120	PKIOPYYOOBASFD-VOMSNXTASA-N	674.374	7.868	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1Br	97959515	BLASRRXQSPQBJF-AFPJDJCSSA-N	543.921	5.497	50	40	KKGB	
COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2Cl)cc1	97965794	XTHSHFCLQSVRQH-HMMYKYKNSA-N	543.000	6.620	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	98000220	CBNYEIJYEKVBPM-QHCPKHFHSA-N	558.885	5.900	50	40	KKGB	
CCOP(=O)(OCC)c1ccccc1COc1ccccc1P(=O)(c1ccccc1)c1ccccc1	98003551	GFOBFWHDNKXLJC-UHFFFAOYSA-N	520.502	5.796	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	98048522	VGXIWCARKKKPPH-XMMPIXPASA-N	640.993	7.677	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1	100141296	OXPVJWMKPCILQV-ZCTHSVRISA-N	532.065	6.116	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	100232825	SONBCVDNYARQGP-WQRHYEAKSA-N	546.248	7.279	50	40	KKGB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(Oc3ccc4ccccc4c3)cc1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	102067648	HRYPILXPBHYOQT-GNWGRXFHSA-N	541.239	5.914	50	40	KKGB	
COc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)=C(C#N)[C@@H]2c2ccco2)cc1	102257380	WFJSNYSLNCVRCD-AREMUKBSSA-N	559.604	5.211	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1Cl)N2	102683064	JVOXJBSAUYYKES-AGIBEUSCSA-N	549.863	7.638	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(Cl)cc1Cl	103890878	BPFWCUGODHCJMO-ODLFYWEKSA-N	562.280	8.162	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)c(C(=O)OCC)c1C	106196903	GWQHPEBRGJSDFA-LPYMAVHISA-N	561.612	5.406	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	150433998	FMKXHSJTEMKPMX-BIZUNTBRSA-N	655.640	6.323	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	150490521	WPEMZYVFLBNOEQ-KPGMTVGESA-N	644.537	5.972	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408544518	WRNMRSQVFMJKAF-JMIUGGIZSA-N	565.376	5.369	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551124	BQIXEKDHCSLNTN-LDADJPATSA-N	517.010	5.715	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCc1ccccc1	408587646	GOQIRTPQTFVHIR-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N1c2ccccc2Sc2ccccc21	408604922	KDKHRGYASKIMAQ-JJIBRWJFSA-N	572.690	7.851	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCc1ccc(Cl)cc1Cl	408727909	YOERVWXOCBLRPD-KKMKTNMSSA-N	538.225	6.203	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1	408752376	IDSOFIXTYJXFTJ-CVKSISIWSA-N	554.378	5.042	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408767875	ACDKYMCPEAVUKH-MTJSOVHGSA-N	625.317	5.775	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccccc1Cl	408798623	WDFJOZLCSUJWPX-LPYMAVHISA-N	564.810	7.222	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCc1cccc2ccccc12	408801558	VSTKYRJKZCYZCA-HZHRSRAPSA-N	512.993	7.025	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccccc1	408821093	CHZNVFZEEKCHRH-PCLIKHOPSA-N	573.476	8.096	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)NCC(C)C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408822021	AZGHCZOTQBOELK-HMAPJEAMSA-N	526.058	5.312	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1	408825459	JZHHYOXRGHVIPP-JWGURIENSA-N	580.493	6.832	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2OC)cc1OC	408828534	HNLUVCADEWHUFE-XODNFHPESA-N	586.881	5.018	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OCc2ccc([N+](=O)[O-])cc2)c1	408828614	NHNCXCWSSQTODY-YZSQISJMSA-N	549.583	6.616	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408831284	QMSAGYOQUMGEIL-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1	408834487	UJXIOPVMAJUKIE-UHBFCERESA-N	629.920	5.175	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCc2ccccc2)c1	408834645	LMVFZDKRIQLGPZ-KOEQRZSOSA-N	525.004	7.052	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408835636	XRZQXWWNZBALFQ-LFVJCYFKSA-N	648.373	10.157	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408837855	ACOMYGZDEDEJSE-UKOUCCTDSA-N	578.581	5.629	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(I)cc5)cc4)cc3)cs2)cc1	408839119	NINODVPLJFSBCQ-DPNNOFEESA-N	644.538	7.810	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408839227	OZLIVPUYNAEQOY-KBVAKVRCSA-N	558.660	5.967	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5F)c(I)c4)cc3)cs2)cc1	408840597	ZNGHJTFSWRCNPV-KVAAJVFYSA-N	662.528	7.949	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1	408841966	HKBFHAFPJWXDGG-MLJNOAGSSA-N	580.065	7.190	50	40	KKGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408843292	SLNIEDLQIUIOJN-JYRVWZFOSA-N	517.756	5.040	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4cc(C)cc(C)c4)c3C)sc3c2CCCC3)cc1	408845322	FZEDGZCNMRVAAD-ITYLOYPMSA-N	562.739	7.758	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1cccc(I)c1	408846600	UDFYVUVZFGRHJL-VVEOGCPPSA-N	623.442	6.610	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cc2cc(Br)ccc2o1	408851360	BWSXPOJVQZIIDM-FXMZOFOKSA-N	644.090	7.450	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4cccc(-n5c(C)ccc5C)c4)c3C)sc3c2CCCC3)cc1	408859022	VKGBVCZVPVVWCE-FDALDRLYSA-N	603.792	7.767	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccc(Cl)cc2C)cc1	408862595	GUSHFMJYPLJUKI-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408864011	SHABDRXTVBUORF-ALQBTCKLSA-N	650.595	6.308	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(F)cc2)c(OC)c1	408868607	NBHRUSPYORYUBV-UDWIEESQSA-N	556.375	6.126	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1-n1cccc1	408883724	UMNDRCKJZMFVHS-WKULSOCRSA-N	543.248	6.890	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	408887474	QXZVYJRREGASLD-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OC(=O)c1ccccc1	408889995	MHIAEQPOSKOOEW-GZTJUZNOSA-N	511.759	5.876	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C)c(OC)c2)c([N+](=O)[O-])c1	408894438	IBHVWBAVTMRTLU-VXLYETTFSA-N	552.381	5.808	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccc(Cl)cc1Cl	408897166	WOUPZHCGJVLUSF-YPXUMCKCSA-N	502.612	7.297	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408900828	XUPFPLDUMLPYTD-RWPZCVJISA-N	548.349	5.502	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408905175	UQPQMPTXDZGZPT-ROTLSHHCSA-N	539.298	5.355	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)c(OC)c1	408947042	ACEONBTUNZMPFI-OLDUKCEXSA-N	791.437	5.670	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCc2cccc(Cl)c2)c(OC)c1	408952990	LFAJPXNCVDAKBT-OEISHWKDSA-N	762.985	5.261	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)c(OC)c1	408956927	RUZSPFHREQYYPG-XESRJCMYSA-N	778.600	5.761	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	408961493	CMVJYEMLAXYUCJ-VPUKRXIYSA-N	546.170	7.118	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(F)c1	408985269	WCXNNPQBJKHPSP-LSCVHKIXSA-N	529.793	6.683	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(I)cc1	408986021	ZCSOXSBQCIXMTI-YBFXNURJSA-N	651.726	7.539	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccccc1	408992549	SIKHPRFIYKNFFA-RUTNCJFZSA-N	639.715	6.169	50	40	KKGB	
CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	409002699	WHGSFNSDAPBTGL-MUFRIFMGSA-N	510.059	5.690	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3cccc(C)c3)cc2)c1	409010263	BJCQVEALTLRUFU-YXAADYGESA-N	637.692	7.158	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccc(C(=O)O)cc1	409014776	YLRQCEDANYYIOE-VFLNYLIXSA-N	663.262	6.240	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2cccc(C)c2C)cc1	409028063	JGKIMVPRAZJNMZ-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)cc2)S(C)(=O)=O)cc1	409029245	XKCKHEPFYBTXRG-HNSNBQBZSA-N	605.116	5.396	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1	409049863	YICYZYVLFSCMRJ-GIJQJNRQSA-N	594.225	7.664	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	409054314	UQDDQAWVPGPQCM-IPBVOBEMSA-N	603.671	6.911	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	409070330	YPVNSEAUFSOITA-XNTDXEJSSA-N	552.233	6.069	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409074246	LEHYGNNHQWWZIU-FOWTUZBSSA-N	517.788	5.416	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1	409088435	JMAJZGHJLRAWJF-GZTJUZNOSA-N	575.927	7.402	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1cccc2ccccc12	409090299	MEMPMPLYUWIKSO-FDVSRXAVSA-N	523.814	6.607	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409116577	OENWRGHPJOUPDL-DPNNOFEESA-N	641.146	5.128	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccccc1	409118415	ZNFHQORDYQOXLB-FDVSRXAVSA-N	523.496	5.986	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	409139063	LXLVCZQQGJCWJS-OAQYLSRUSA-N	573.197	5.623	50	40	KKGB	
Cc1[nH]nc2c1[C@@H](c1cc(Br)c(OCc3cccc(F)c3)c(Br)c1)C(C#N)=C(N)O2	409144023	DKGCAJSZDGEGRI-SFHVURJKSA-N	534.183	5.179	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F	409156130	RYZOOIZBAMMERJ-JJKQSNDFSA-N	625.373	5.112	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409164009	BEBUORJFRMUEPZ-KBVAKVRCSA-N	551.043	5.242	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C(F)(F)F)cc2)cc1	409175839	VNNHJYSKAYAEKW-MHDJOFBISA-N	635.437	5.753	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	409220067	UADIPHGICOJRNN-RAWMCFOBSA-N	526.601	6.392	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc(OC)c1OC	409220362	XWVWYMZSUPSHGO-UHFFFAOYSA-N	646.494	6.019	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccccc1	409228576	ZKCXIPFVIVGRKL-LGJNPRDNSA-N	529.460	5.076	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)c1C	409250443	LTGIHQYKZQZOIN-KULFSUQXSA-N	644.584	8.259	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	409261653	CLRQNSNJGONSMT-QDYAICPJSA-N	561.263	5.838	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1	409264775	RXURGFUICPCKEO-GZTJUZNOSA-N	555.226	5.775	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1OCC	409316181	XYOCSPUBXAQNMP-MBTHVWNTSA-N	515.379	5.729	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	409361298	GVMMFMSSHNWQJJ-DBFSUHOCSA-N	550.280	6.653	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br)Nc1ccc(F)cc1	409364639	QRYLBBBRIWIZJH-DLCNMLRHSA-N	644.526	7.237	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OCc1cccc2ccccc12	409372452	LUSMVTOBCMZYCT-QFEZKATASA-N	556.403	7.358	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccccc1	409372595	MFSPLVJMOKRUOD-YSMPRRRNSA-N	512.360	5.028	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc(I)cc1	409374030	JLCIMCATZYJTML-ZDLGFXPLSA-N	555.803	6.781	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)c1	409395659	QJMNBLFLIYYQGS-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397754	NRQQZHKZQADSFN-UHFFFAOYSA-N	593.636	6.243	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397978	PWIVDYLVKKNVHM-UHFFFAOYSA-N	521.548	6.274	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)[nH]c12	409398569	UQZYDJZSOHUNGS-UHFFFAOYSA-N	630.926	7.805	50	40	KKGB	
CO[C@@H]1[C@H](C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CC=O)[C@H]1CS(=O)(=O)c1ccc(C)cc1	504772243	KOLNCCOWEPGLNP-MGDFUXISSA-N	614.994	6.559	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	1529548111	XXEGXEGVBVUNCV-HBPAGYSFSA-N	808.449	5.426	50	40	KKGB	
COc1cc(/C=N/c2ccc(-c3csc(COc4ccccc4)n3)cc2)ccc1N(CCCl)CCCl	1667947	PAWQIYBGDFQYCV-FDAWAROLSA-N	540.516	7.432	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3c[nH]c4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1804727	MDVOJWGHWVMAAD-KCSSXMTESA-N	538.677	5.964	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)n2-c2ccccc2)cc1	2337522	LQXNGRBMAIVQEG-UXHLAJHPSA-N	521.650	5.288	50	40	KKGB	
Cn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccc(Br)cc1	2348951	OGHVRWWVRZXWIS-CVKSISIWSA-N	522.428	5.279	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@@H](c3cc(Cl)cc(Cl)c3N[C@H]2c2ccccc2Cl)[C@H]1Cl	8425542	MFHGWWLWCZKEAZ-JDPPDFBMSA-N	540.299	8.594	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCc2ccc(Cl)cc2)N1	9370248	YNOKWZMQLRYYKL-VWLOTQADSA-N	506.458	7.261	50	40	KKGB	
CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc(Br)c1O	9693504	HCSISWXPHKRAQR-QGZVFWFLSA-N	500.418	5.081	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3cccc(C)c3)=C(C)N2)cc1	12250464	XVUPLOKROAISHX-AREMUKBSSA-N	514.607	5.303	50	40	KKGB	
CCOc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C3\CCCC[C@@H]3C)n2-c2ccccc2)cc1	13882017	ULZCYFSRIHRZKQ-DJHYLDIASA-N	506.676	5.441	50	40	KKGB	
CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O	16741525	YXGDSJAEZRLOFM-WWAUWJAYSA-N	506.606	5.564	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Br)cc1	58913254	OYOKDWURFOOANG-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccccc1C#N	59105047	VNXOVZDXEFXHLF-YUMHPJSZSA-N	516.601	5.622	50	40	KKGB	
O=C(CC(=O)Nc1ccccc1Cl)NN[C@H](Sc1ccccc1)c1cc(/N=N/c2ccc(Br)cc2)ccc1O	82191619	XXVOSMFYUWWEIL-JFQZWHKDSA-N	624.948	7.664	50	40	KKGB	
CCN(CC)c1ccc([P@](=Nc2ccc(OC)cc2)(c2ccc(Cl)c(Cl)c2)N2CCOCC2)c(O)c1	96022599	VUXDCUJREYISNN-BHVANESWSA-N	548.451	6.285	50	40	KKGB	
C/C(=N\NC(=O)c1cc(C)nc2ccc(C)cc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965701	AUPHRFAEHPTXTM-HBHSWBPBSA-N	528.428	5.777	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccc(I)cc1	100062606	CUUATVZCBPAXRV-MZJWZYIUSA-N	548.808	5.995	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C)S(=O)(=O)c1ccccc1	100122640	VWIOZNLJLGJFFT-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc4ccccc4c3)n2-c2ccccc2)cc1OC	100875296	SLMBUBZMJSAFLY-GTWSWNCMSA-N	537.645	5.737	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)ccc1OCc1ccccc1	100879114	WIBPYXPDWRNGGM-LPYMAVHISA-N	560.473	6.630	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	100991343	INQGJGJCXCAXIJ-RKZIHRPTSA-N	542.875	7.020	50	40	KKGB	
CCOc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(\C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1	101049373	JPYXLBMEXJCDOS-NJBSEOMVSA-N	624.162	7.632	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(OCC)cc2)=C(C#N)[C@H]1c1ccco1	101305330	JZOCVACTBWNDFR-VWLOTQADSA-N	529.618	5.447	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)C1CCN(Cc2ccc(Br)cc2)CC1	101666553	YHSKUGXORXTZKI-OCSSWDANSA-N	585.340	6.153	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(O)CC(C)(C)CC2=N1	102607070	XLRTZTJDBAYWJJ-AREMUKBSSA-N	515.679	6.843	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1)NNC(=O)c1ccc(Cl)cc1	103135949	ZFOQJZDJIUGNIM-UHFFFAOYSA-N	538.888	5.964	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(Br)cc1	103843784	ZSTBXXBXTURVJP-JFLMPSFJSA-N	540.259	6.174	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cccs1	103857826	HVGPJZVVRYDIMA-AUEPDCJTSA-N	573.104	6.379	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1	103895982	UBQFTFDUCBLNNC-FMFFXOCNSA-N	608.116	5.672	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)Nc1ccc(F)cc1	103902922	NXSUZOZKCFGBLB-KCSSXMTESA-N	527.621	6.041	50	40	KKGB	
CCCCCCCCCCCCCCCCC/C=N\NC(=O)CCCC(=O)N/N=C/CCCCCCCCCCCCCCCCC	104081338	JSPZMVAGIHDGQK-GFCGPLERSA-N	661.117	12.884	50	40	KKGB	
CCOc1cccc(/C=N\c2ccccc2SSc2ccccc2/N=C/c2cccc(OCC)c2O)c1O	104314043	KNJSEVWCSBBTTF-QXLZFTBOSA-N	544.698	8.196	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2	104882345	XJBMWABUABNBLU-VXLYETTFSA-N	532.369	5.543	50	40	KKGB	
CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341538	FJKLXOLDHXTHSH-LBPRGKRZSA-N	814.296	11.991	50	40	KKGB	
O=C1OC(=O)[C@H]2[C@H]1[C@]1(c3ccccc3)O[C@]2(c2ccccc2)c2c(Br)c(Br)c(Br)c(Br)c21	150428723	BGYCSUWVTBUNEJ-KQACMCHDSA-N	683.972	6.583	50	40	KKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1OC	209529708	RUUHTEVCQUOOOV-IVWJEFBKSA-N	558.654	6.561	50	40	KKGB	
C[C@H](CCC(=O)N/N=C/c1ccccc1O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253537663	BXTRCTCQZGWSNF-QIQVUWFXSA-N	510.719	5.249	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(OCC)c2)cc1	408538395	MEYBLMOLOPBAJO-MTDXEUNCSA-N	627.137	8.240	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408568997	LULFZNNCGCBEAH-CHHVJCJISA-N	639.181	6.693	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408570449	VGDYSPBVSGVNNB-NHDPSOOVSA-N	545.355	7.103	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408580512	CCLGQYGEEFUDLI-OEAKJJBVSA-N	547.392	7.105	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1	408637719	AVVLIBVWBWUUFZ-MKXGPGLRSA-N	647.147	5.164	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccs1	408649421	YDFNBPXATSTUQO-MQYQWHSLSA-N	623.150	5.217	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)c(N(C)C)c(Br)c1	408738825	VZZYGKMSHZHTPG-QJPXTZMYSA-N	607.347	5.203	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3F)c2-c2ccccc2)cc1	408742206	NYVFDXZQMIHADB-PPOKSSTKSA-N	503.577	7.113	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c1	408765403	PIWIKVRZMMZCDL-CIAFOILYSA-N	592.287	7.498	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	408795252	LHHQEKGUAQYVPU-OMCISZLKSA-N	540.661	8.387	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408796822	PJQVZEKPCMJQSS-LZYBPNLTSA-N	719.542	7.436	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(Cl)cc1	408798128	UQGGXUAUKNZRLR-VXLYETTFSA-N	607.275	7.430	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)c(C)c1	408804109	VXJWCJSLQXYJRM-PXLXIMEGSA-N	501.413	7.888	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	408820431	WBVSIKSXVDJANV-UCMJSZAQSA-N	516.601	6.322	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1cccc(Cl)c1	408822575	CGOIESFTXPWKIX-BUVRLJJBSA-N	603.900	7.815	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)ccc1OCc1ccccc1	408826458	DKSNUAWUCCZWMW-PPFNPFNJSA-N	534.660	5.360	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(Cl)cc2)cc1	408827473	JTDDDIRZEGIYAL-XICOUIIWSA-N	598.124	6.726	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1	408828134	JBUFDLRBLKHEQA-PGMHBOJBSA-N	610.917	6.632	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	408828181	JGBLTSOAOFXSJX-SHLBECDDSA-N	544.789	5.762	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1	408839196	OPVLPTDGEZLFPF-QNVXDBMFSA-N	681.395	8.514	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1	408841468	KLVXJJRKKXRSBL-RASIFHRJSA-N	510.344	5.108	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842019	HVQSRPXETSBJGW-QQMJPZKZSA-N	859.742	10.066	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	408843247	REOSDUWXUDRNLJ-ZHSUKTGHSA-N	568.024	7.255	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408846897	ZKWSXKRKANEBNA-ZHSUKTGHSA-N	678.487	7.247	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Br)cc1	408859624	VUGOIMNDJPBWOF-UVHMKAGCSA-N	623.323	6.340	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(Br)cc2)cc1	408861253	AZNOARRTJXADRO-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1	408864089	SQSYIRRJABVPPN-QLQYKETESA-N	594.136	7.060	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408864489	WKBIFVZZEVBBPE-ATZGPIRCSA-N	645.952	6.010	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(F)cc1	408886668	LEXBBPJWQHHACR-XDHOZWIPSA-N	542.348	5.954	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Br)c1)C(=O)Nc1ccccc1	408890103	NWSYHRDADPNBGM-LDADJPATSA-N	512.201	6.336	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc(C(C)(C)C)c1O	408890555	VOJDLCADMCPUAA-FABQOPTDSA-N	555.546	7.956	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1cc(C)cc(C)c1	408890571	VVAYZRKECCRAMT-MTDXEUNCSA-N	518.613	7.016	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1c(Cl)cccc1Cl	408892701	CNSTYFUSTIJEIT-KVSWJAHQSA-N	512.220	7.042	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1C	408921343	GPUCIINUYFWWPI-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(OC)c1	408921982	CZUBQVZSBLZWPC-KKMKTNMSSA-N	613.221	5.553	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408945301	NXOOBWMWLJIRMA-BIKKEBSBSA-N	665.588	7.704	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408953835	PZSRYVKLERRCNX-JAIQZWGSSA-N	707.737	6.875	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1cccc(C(F)(F)F)c1	408961160	AYPJEFDPYSOZPU-HIWRWHBISA-N	700.236	7.411	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1O	408968693	BHBOISLIKVRCCU-SEVZJSAHSA-N	670.331	5.347	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408971183	CYMYAPRLMJXPJZ-QRECDSSUSA-N	586.516	5.826	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408973614	ZPBUFSXULXWIEQ-BZEOHTOSSA-N	756.421	5.584	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1C#N	408978811	KKLYERHQAIUIRC-PYDFSNLISA-N	532.600	5.157	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cccc(F)c3)cc2I)cc1	408993983	DZZQJZVQDRPDGQ-KBKYJPHKSA-N	644.178	5.076	50	40	KKGB	
CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	409013631	LARXBTCWNYMTLO-GJDHUYHKSA-N	526.008	5.118	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	409022812	UAFFQYRHLFBYGU-YNFMAFFXSA-N	587.243	6.007	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409023577	ZDYHXNXSLHWBPI-DBFSUHOCSA-N	614.250	5.776	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1	409027326	AFTSOWGHYVBTPQ-FMFFXOCNSA-N	595.508	5.981	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)c(C)c1	409044658	WMVORHAXSPVIDE-VXLYETTFSA-N	619.151	7.716	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1	409052774	AJZGUKLLLIBDTD-YBFXNURJSA-N	501.391	5.293	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)ccc1O	409054088	MLVIDUFEGGEGTH-XODNFHPESA-N	570.882	5.092	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1	409164724	MUJYWWVBNFXXDQ-VFLNYLIXSA-N	563.825	5.152	50	40	KKGB	
Cc1cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1Br	409168897	NLTAWGUXJBEIAW-VPUKRXIYSA-N	657.146	5.933	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(OCC)c3)cc2c1	409187738	UHLARKPMUCCNEQ-MNDYBZJGSA-N	536.968	5.925	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409217690	FHAHFMFDXGSPKI-VINWBJBXSA-N	608.607	5.637	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1	409218875	IALWEFVHZZYPHW-UHFFFAOYSA-N	601.413	5.901	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccc(Br)cc1	409219490	NBYAJMRBEMGJAV-UHFFFAOYSA-N	586.442	6.083	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1	409220243	ZVZHEBXXIFRQJL-UZRTWBFMSA-N	528.746	5.393	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-]	409224663	MZXLCAIMZYAWOB-UZPVMOQGSA-N	529.292	5.193	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1ccc(Br)cc1	409236064	RMANVJPNYRQBDC-KBKYJPHKSA-N	594.329	5.448	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409244650	GUUVIKSSLBWTKL-DBFSUHOCSA-N	601.243	6.408	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)cc1	409248863	HJGWPIJDZNCZJV-JAIQZWGSSA-N	641.316	6.178	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409254123	DCFMPPAXFJULNG-KBKYJPHKSA-N	597.647	6.125	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl	409268137	QISURCDGJRZFCB-FXMZOFOKSA-N	614.121	6.608	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409363744	MYGYUKZTNDQPPF-YBFXNURJSA-N	552.400	5.777	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1ccccc1F	409371245	DLFBHVZXJIWFME-SXGWCWSVSA-N	568.611	7.489	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(C)cc1	409371705	KTEBDQBBOPJMMF-NDENLUEZSA-N	513.350	6.781	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(Br)c(Cl)c1	409384509	DAJLEEBTXZINSA-OPEKNORGSA-N	531.819	6.397	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)cc(OC)c1OC	409394518	BLMBPIPRGOSKOW-UHFFFAOYSA-N	688.531	6.624	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409396099	WLPHYCUXOKDHHB-UHFFFAOYSA-N	654.870	8.561	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396284	JLCUEIDXZMGPJS-UHFFFAOYSA-N	681.370	8.295	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409398329	CWBVYWXCMHHVCF-AEUUOICLSA-N	673.520	7.288	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409398957	XAIRFNBNTOMQLB-UHFFFAOYSA-N	600.002	6.544	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409399360	ZWNSZHPPOTTZAW-UHFFFAOYSA-N	622.508	8.677	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c([N+](=O)[O-])c3)o2)cc1	409404894	RHCMDSLIJXLERV-RODHXAHZSA-N	720.964	7.372	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@]12C	503915770	AFNDTSIACJAGSO-XQNHKLAKSA-N	551.768	9.808	50	40	KKGB	
OCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	642882926	RRURJABHADIKGW-SCSAIBSYSA-N	568.058	5.937	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccc(C(=O)OCC)cc1	1529548469	HCLOUPWQZROUOS-ZXFVVSEZSA-N	744.064	5.743	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1	1529549446	ZFGZDDUFECXUGV-KZMIEDSXSA-N	682.155	5.111	50	40	KKGB	
CN([C@@H](c1ccc2ccccc2c1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C	1857795232	XBSXYNDYLLPLCL-MLZZNZMKSA-N	535.693	7.081	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccc(Cl)cc1Cl	661018	NOQIRIAEPMZSIE-IBGZPJMESA-N	536.213	5.593	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1cccc(Cl)c1Cl	1757704	NLLDWPIKASQMFY-OPEKNORGSA-N	519.504	6.533	50	40	KKGB	
O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	2658691	PEOGDXFXYYNHEV-VULFUBBASA-N	546.461	5.758	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	4045459	GPHIFMJTBGOCGK-UYZWPXOGSA-N	684.149	6.634	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	12250807	ZCQWZMXKVSBJJG-MUUNZHRXSA-N	520.614	6.139	50	40	KKGB	
O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/C=C\c1ccccc1[N+](=O)[O-]	12465612	NGWKLPLYAHLZEU-AYIFDBAFSA-N	506.034	5.300	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)N1CCOCC1	16701172	MOJYSTBUHZHGEQ-HKOYGPOVSA-N	525.008	5.537	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NCc1cccnc1	27021197	BKBMXWMRQVBKSI-OVVQPSECSA-N	511.585	5.737	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	59856242	YXJQUUGRZXLWGI-XHLNEMQHSA-N	528.590	5.144	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C(=O)[C@@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C	68569414	RBYRHDBWVSOLNG-ZXCNRNFDSA-N	597.587	5.650	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1I	97962126	IRJCBQXTOIOFCV-NVNXTCNLSA-N	579.179	5.465	50	40	KKGB	
Cc1c(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c2ccccc2n1Cc1ccccc1	97964225	TVRSFXWGCHEMRR-DVNAOUAFSA-N	555.682	5.985	50	40	KKGB	
CCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)Cc4ccc(OC)cc4)c3)c3ccccc3n2)cc1	97965844	QNUNHBWUXRNEPS-HZQMBONKSA-N	586.692	7.034	50	40	KKGB	
COC(=O)c1ccc(/N=N/c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1	97983173	NTKJKFINLOMQHR-XAHDOWKMSA-N	515.573	7.383	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1	98006076	KTQYIAYIOMBLHW-QFIPXVFZSA-N	579.107	6.333	50	40	KKGB	
O=P(CCCCSSCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	98045170	JTHAZYOZURSSIW-UHFFFAOYSA-N	578.720	7.956	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	98048882	IWLIOZBYGYPHEW-VWLOTQADSA-N	553.080	6.047	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)Cc2ccccc2)cc1	100070346	DPGAGQHNRIOFPY-CAQPMQTCSA-N	592.121	5.047	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	100081352	XMWPAWVXCATEGZ-DPNNOFEESA-N	597.568	6.870	50	40	KKGB	
N#CC1=C(N)N(c2sc3c(c2C#N)C2CCN3CC2)C2=C(C(=O)CCC2)[C@@H]1c1cc(Br)cs1	100220463	IAFHKBKXHOXXRR-FQEVSTJZSA-N	538.496	5.446	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2ccccc2)cc1	100350137	LKEOUTKTBYHXKD-UXHLAJHPSA-N	595.519	5.211	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	100533206	FWZASUHEIVVGDZ-MZFJOGFUSA-N	578.090	5.912	50	40	KKGB	
Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1	100990607	XCDVITOUQLVFKB-IEQIIXMPSA-N	546.490	5.543	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CCl)[C@@H](O)c1ccc([N+](=O)[O-])cc1	102092797	ULNFLTSOFITTNS-IGKIAQTJSA-N	527.102	6.376	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	103883265	WDYDWYBPACYEOY-JCMHNJIXSA-N	594.409	5.034	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	112258200	LJZUFARCYXRMAG-UDWIEESQSA-N	532.463	6.694	50	40	KKGB	
C[C@H](CCC(=O)N/N=C/c1ccccc1O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118917005	BXTRCTCQZGWSNF-XIQMICKKSA-N	510.719	5.249	50	40	KKGB	
CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341749	RHVLWEBCYIGSTH-INIZCTEOSA-N	870.404	13.551	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342015	KWEXQPFKOSBNKY-UWTATZPHSA-N	692.016	8.387	50	40	KKGB	
COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1ccc(Br)cc1	226337210	YSLPADLKJSFORT-QPJJXVBHSA-N	507.549	5.420	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408528323	HHTURADZIRDCGW-VFLNYLIXSA-N	506.322	5.609	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCC(=O)Nc1ccccc1	408551030	AESWPOYUWAQWPP-WOJGMQOQSA-N	638.487	5.675	50	40	KKGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1	408552142	HPJXJBWBTVUUEN-GZTJUZNOSA-N	502.195	6.838	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(C)cc1	408553128	XPUHSAQZKZXBKE-WGARJPEWSA-N	545.420	7.795	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1Cl	408587274	FCQXAIQRIQDSDM-YPXUMCKCSA-N	591.514	7.515	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408589883	NHCCXQTZHCBRAM-LGJNPRDNSA-N	579.778	5.594	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CC2=O)cc1	408611911	XNHIMURNFFTVTD-GOSISDBHSA-N	514.409	5.467	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc(N2CCCC2)cc1	408676099	FHFWULHYSZIEKY-WKULSOCRSA-N	685.731	6.492	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408711924	QSMWOAXOJAOIAB-XODNFHPESA-N	562.238	6.673	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1	408726081	PNMDXQLMSMYYAS-MTJSOVHGSA-N	538.385	6.041	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c2ccc(C)cc2)cc1OC	408726896	NPGYSURJAVMOEQ-AJBULDERSA-N	559.644	5.150	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(I)c2)c1	408746088	QTCOVYCMFYJMQJ-MTJSOVHGSA-N	549.368	5.686	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1cccc2ccccc12	408760938	BCUDGLYHXYDTAI-ATZGPIRCSA-N	570.443	6.267	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408799515	ZIQASCMJYHMNQF-VIZOYTHASA-N	800.987	7.932	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408807557	CRCMKKZMKSWGPM-XOEYNFINSA-N	611.573	7.419	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408810692	JPYJCLJJSCKASB-MYYYXRDXSA-N	527.577	5.533	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1F	408820898	AHDOFNIQUQPFHZ-CHHVJCJISA-N	554.630	7.673	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408825822	AQJOBJGKNHREIJ-VWJSQJICSA-N	591.011	5.570	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408831522	ODAOLPPZERBRHK-XHPQRKPJSA-N	634.154	5.916	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408837034	YBLJETYNMYNIME-KQWNVCNZSA-N	594.520	7.140	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cn(Cc5ccccc5C#N)c5ccccc45)cc3)cs2)cc1	408839017	LRRPQAANDIVMTB-ODNPBWNPSA-N	566.690	7.501	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	408839540	UGCRAXLIUUWWIU-KVAAJVFYSA-N	666.912	6.364	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)c(Br)cc1OCc1ccc(Cl)cc1Cl	408842618	BFVUSNMFXFSCCC-KVSWJAHQSA-N	601.122	7.260	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1cccc(F)c1	408842924	KMPZNCRAMCFJNT-IZYHBKOJSA-N	615.130	8.396	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1	408843573	GCSVZAZFLNLXPS-UHFFFAOYSA-N	563.304	7.672	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408855518	NRXWZBVKTJUQKN-VPUKRXIYSA-N	591.116	7.804	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1	408859352	SPLDJXRBPNOSKS-BGABXYSRSA-N	505.684	5.667	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)c1	408863761	PWLLXWOXFXLEOJ-ALQBTCKLSA-N	682.593	5.708	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1	408879712	DZMZGPDJHZGHIS-RCCKNPSSSA-N	517.006	6.423	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	408883515	VNNGAKHEQYBUKJ-WUXMJOGZSA-N	525.153	5.073	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408888562	XDKPUOXUKSHAQL-XNTDXEJSSA-N	539.298	5.612	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc2ccccc12	408891328	OSBLVUHFMQIRHF-HAVVHWLPSA-N	547.408	7.520	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408893610	HEJTVYMVHIFDDQ-XDHOZWIPSA-N	588.423	5.230	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408899146	ZLLXXXBQPNENER-VIZOYTHASA-N	581.637	7.442	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1	408910413	KDEQYQUMOJWSOK-HNSNBQBZSA-N	532.999	5.843	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2I)c1	408925204	QMBLKASJMPHACV-CAOOACKPSA-N	699.670	6.891	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1	408926782	YMLVFRAOKNBAEU-FOWTUZBSSA-N	503.363	5.315	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(I)c1	408947051	NNGIHOLPMSXYHA-YTTGMZPUSA-N	734.616	5.908	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCc1cccc2ccccc12	408948125	OVFWANMVJYXJQF-JGCGQSQUSA-N	764.642	5.917	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)c(OC)c1	408952608	KTIYOGUWJOTLCV-PDQWDMBESA-N	748.400	5.658	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)c(OC)c1	408954053	MTWCUHNULRCEFF-GPQOJQFPSA-N	666.518	5.173	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c2ccccc2)cc1	408978491	ISZSNQZZWWPSHN-YQFMXDQSSA-N	619.574	6.865	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1C#N	408984137	PUKVQTRYKKVCTJ-UKWGHVSLSA-N	583.813	6.258	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409007572	XXNGTQMZAYXMHI-OCSSWDANSA-N	510.421	5.575	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c3ccccc32)c1	409010637	CXJFNDRVMZDZMU-BXRHMWLVSA-N	584.633	5.418	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccc(Br)cc1	409034580	HXOPREILCPAPAC-KVAAJVFYSA-N	692.433	8.430	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1	409040519	YQFQJBUPIYPPDK-SFQUDFHCSA-N	564.436	5.127	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2Cl)Cc2ccccc2Cl)cc1	409066740	WSHULHPMPSUOHA-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OS(=O)(=O)c1ccccc1	409069741	WCCBDBCSIIGRRW-DEDYPNTBSA-N	555.450	5.778	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079715	LPJHVDIRYVTAQI-RIYZIHGNSA-N	596.743	7.376	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	409117326	NAUIKDBNQKSGEZ-WPWMEQJKSA-N	520.438	5.128	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCc1ccc(Cl)cc1	409118779	QEISYKCRHPEFEC-BIZUNTBRSA-N	578.090	5.825	50	40	KKGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409156683	UBCZAZAXEOGREF-KPGMTVGESA-N	605.411	5.745	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Cl)cc3)cc2)cc1	409227322	VACPQUWAINNMAC-LJUMEUDFSA-N	556.962	5.792	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1	409243504	XCRCPPNGHIGZKV-OPEKNORGSA-N	519.852	5.331	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl)Nc1ccc(Cl)cc1	409249717	KIYOOVBCCXXXSK-NKHVPTTDSA-N	650.975	8.295	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409264658	QUUROOPGZAYTCZ-WBIBEUCMSA-N	640.165	7.696	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409268705	XXQMLOYNSXJJGB-BKUYFWCQSA-N	592.446	5.506	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)ccc1OCc1ccccc1	409312814	NQVXCTCXOFMHCY-BJUCDSOZSA-N	569.872	7.577	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)ccc1OCc1ccccc1	409314229	SACSIHSQBHDPIJ-OHUYPAJKSA-N	549.454	7.314	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409316163	LFHQYGKFEOBPSK-YNFMAFFXSA-N	659.355	6.190	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)ccc1OCc1ccccc1	409322565	KNIUEBAQSBIGTK-FZPRHHONSA-N	638.356	7.451	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OCC	409323501	PLARHDOQHDVKKA-MWLSYYOVSA-N	565.475	6.021	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12	409363667	VHUFJRYUDLBTKA-MNBJERMJSA-N	578.450	6.423	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409376176	VLKDIJRXMRWGOP-YVLHZVERSA-N	538.919	5.349	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409382389	LKGSLCYSZIDPHH-WOJGMQOQSA-N	540.345	5.977	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)cc1	409394577	CKISHORMCFVSOS-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409396851	BXWJUSOAKLBFBY-UHFFFAOYSA-N	636.919	8.186	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397231	HQPOBZPKTBCXJK-UHFFFAOYSA-N	558.388	6.182	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)c1	409398606	UUOBNYKKYGNUNC-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
CC(=O)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409405336	SWCZBBOQCURJPQ-CPDSRJINSA-N	540.403	6.262	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)o2)cc1	409409468	PFHBBTQWHXFEIX-PTZDRTPLSA-N	685.850	8.630	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1	1529548604	JWQBTCSWEFOTTK-MEIHFEFKSA-N	631.936	5.248	50	40	KKGB	
O=C(Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12)NNC(=S)Nc1ccccc1	1400612	CHMMZZRFRFWCDH-UHFFFAOYSA-N	503.937	5.258	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)sc(C)c1C	1826060	BQVPYBMGOHFURJ-GDNBJRDFSA-N	522.564	5.656	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	2294564	WTJBSZUKZCTZRF-DEOSSOPVSA-N	539.444	6.293	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	2696271	VFOXPNHEQYBENI-LGJNPRDNSA-N	571.844	5.501	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1Br	4017867	ITMCBDXHOYNQOO-IPPBACCNSA-N	574.313	6.752	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1c(OCc2ccc(I)cc2)ccc2ccccc12	9202447	DJMABWHRHZCTPE-LQKURTRISA-N	520.370	6.096	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccc2c(c1)Nc1ccccc1S2	12649417	MIXNQMQWEZOJOK-KEIPNQJHSA-N	521.686	7.925	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	28217702	NZKSFGNTPQYNLC-LGJNPRDNSA-N	519.848	5.933	50	40	KKGB	
CCCN(CCC)CN1C(=O)/C(=N/NC(=O)CSc2nc3ccccc3s2)c2cc(Br)ccc21	33358634	RPDSMQJVRKOBKC-XAYXJRQQSA-N	560.543	5.098	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1	97939505	RSCJTPNRBIJMJQ-WNFQYIGGSA-N	514.441	5.288	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(C)s2)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1	97957793	QETCPMFNPKEOGR-MZJWZYIUSA-N	593.569	5.615	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)ccc1O	97965361	SEFDOVNSSYYJOW-MUXKCCDJSA-N	542.448	5.588	50	40	KKGB	
Cc1cc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1-c1cc(C(F)(F)F)ccc1Cl	97980672	NOGZWLSQTQMBHN-MHWRWJLKSA-N	528.987	7.420	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	97980682	PXZITMDZNUCMIR-WOJGMQOQSA-N	553.493	5.048	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1cc2ccccc2o1	97980806	WFGRXUIDWKITOE-NTFVMDSBSA-N	556.254	6.999	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Br)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	100141601	ZLVDTILWOFSBQW-LJUMEUDFSA-N	623.529	5.139	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(O)(c1ccccc1)c1ccccc1	100197539	FZBTVVGEHMWLJB-ZSBPYGRISA-N	626.554	7.960	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1	100227781	WAFXVLJQXRQBQW-KKMKTNMSSA-N	578.790	5.415	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1	101036964	CLCSAXGENDWAET-HKBQPEDESA-N	565.695	6.384	50	40	KKGB	
CCCCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3Cl)N(c3ccccc3)C2=O)cc1	102666477	PWZIQCQFTRSELV-ONDMRUQVSA-N	550.511	7.401	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1	102990219	BULVHYLQJOYKGN-WOJGMQOQSA-N	543.929	6.239	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	103890606	SZSOCJJCTVFNTB-SXGWCWSVSA-N	615.138	8.586	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	103901861	VRCCYPIWVQKCDI-KKMKTNMSSA-N	554.293	6.586	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12)c1cc(Br)ccc1O	112255211	NMSFYCRXSVXWGA-ZLGJVAIHSA-N	610.439	5.260	50	40	KKGB	
CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341288	KIZPQFKLYBTUIT-SSDOTTSWSA-N	644.147	8.770	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342029	DODGJGXFABDTIH-REOHCLBHSA-N	892.044	10.928	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342080	UXTBTNPWSKVSDW-UWTATZPHSA-N	792.030	9.658	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	150385544	PCKKMUGWEPXIPL-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	150385578	DBGAQBRRLGJUKN-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
CCCC[C@H](CC)C(=O)O[Si](OC(=O)[C@@H](CC)CCCC)(OC(=O)[C@@H](CC)CCCC)OC(=O)[C@@H](CC)CCCC	195773467	UNKOLEUDCQIVBV-LJWNLINESA-N	600.910	8.460	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1	198318789	WFLNJSCPLQWRFK-SAEPALGJSA-N	659.086	5.400	50	40	KKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccc(I)c1)[C@H](C)CC(C)(C)N2C(C)C	223594815	IHXKNZOXQCJKER-OXVLKEGXSA-N	503.428	5.864	50	40	KKGB	
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](OC(=O)c3ccco3)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl	238809203	MJDGUHJEIVTMQZ-LRWJDWGKSA-N	615.506	6.327	50	40	KKGB	in-vitro
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(Cl)cc1	408548805	LMIZUNMTSCCYSM-QRVIBDJDSA-N	504.811	7.907	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550625	FVYBWJYGWOXDKC-ZDLGFXPLSA-N	650.300	6.868	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1	408566469	ABEBMQOCGWEORP-CCVNUDIWSA-N	622.404	6.798	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)Nc1cccc(C)c1	408580301	OAPLHEOOJWHTBA-RQZCQDPDSA-N	546.248	7.155	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OS(=O)(=O)c1ccccc1	408581263	VPEDFUCXGPCMDS-MHWRWJLKSA-N	553.261	6.986	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cccc2ccccc12	408587127	QNXVERSQXQUFCF-UUYOSTAYSA-N	600.283	8.793	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408602674	FGUCYWJSOLQBQK-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408641686	LABUCPZBMZKQKJ-UCDDGIFISA-N	747.780	5.630	50	40	KKGB	
COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)c(C)c2)CC1=O	408643742	RLOACDFVFXUGFH-CBFGRJNTSA-N	668.766	5.042	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408726315	BDZVMJFRHFGNKE-RWPZCVJISA-N	531.834	5.782	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1Br	408746198	CCVUENBSNPQJGN-LSHDLFTRSA-N	549.590	5.044	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408746524	DZNYHJHQTQDUPY-SXGWCWSVSA-N	609.087	7.238	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746851	WSMWXFIBMKVADC-BOPFTXTBSA-N	593.646	6.832	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408764576	URXNXDYGINEEPT-SFQUDFHCSA-N	602.419	5.078	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408777503	AURISQGZBFPLDL-VFLNYLIXSA-N	544.382	5.666	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1	408780809	LDYNBMZCWPKWCI-WQRHYEAKSA-N	560.275	7.452	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408784379	SBAIEODMWSLXFN-CHHVJCJISA-N	523.181	5.130	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408788645	FBUQYUMJIDJAQH-CAOOACKPSA-N	601.207	5.943	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)c1	408789055	NUIYQXDVWJLVSV-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccc(Cl)cc1Cl	408790382	PNMPXSBNNHDUKL-UDWIEESQSA-N	525.388	6.303	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(C(=O)O)cc1	408791358	WOGITUKWNXQZTO-SRZZPIQSSA-N	582.394	5.740	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c1C	408792330	ASOYTXURQRYNLB-UDWIEESQSA-N	506.356	6.099	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(I)cc1	408793372	OOVHETUALUMAPN-XDHOZWIPSA-N	603.254	6.577	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccccc1F	408794963	KRKCAZPCOQOBOC-WOJGMQOQSA-N	511.347	5.817	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(C)cc1	408799148	YANMPBRPUGJDDD-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1	408806949	BQGBLHHHLKLZIL-QRVIBDJDSA-N	517.412	6.958	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)cc1	408816960	UZOXTZYLPRWAIG-MOHJPFBDSA-N	534.685	7.141	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408821394	GYCGPJJGGCIKBY-CNCDYAKUSA-N	633.941	6.028	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408826128	KUPLWGUJWQWJMP-YDZHTSKRSA-N	731.268	9.621	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(OC)c1	408838407	FGXPZQIPCXSFTC-UXHLAJHPSA-N	513.667	6.481	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)c(C)c1	408840848	CGTMBZUAFWDWLA-ATZGPIRCSA-N	554.119	7.995	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccccc2)cc1	408845137	OVYFAWUFTPZDLW-ATZGPIRCSA-N	632.923	7.553	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408851432	ZJXWRKQKGGVPQC-JCMHNJIXSA-N	624.944	6.941	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408854891	KJUKMBCNHSWJLS-UVHMKAGCSA-N	537.241	6.889	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)cc(Br)c1OCc1ccc(C)cc1	408856422	HAMYWVPFYOWLDG-XODNFHPESA-N	547.902	6.382	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1F	408859621	VTVKHVKXOOIVFU-NVJOKUIPSA-N	623.216	6.291	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)c(OC)c1	408868963	QTHXOTOOZJIYRM-KEBDBYFISA-N	510.949	5.307	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	408872254	BZIYIEUVSNDTQI-OCSSWDANSA-N	558.100	5.357	50	40	KKGB	
Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1	408882063	OZCUWSWQZAMFJO-RGVLZGJSSA-N	514.250	7.509	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(OC)c1	408883555	RIUXMYQNLJZOOJ-CNHKJKLMSA-N	655.170	7.338	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1	408883854	RWRDDYSQRVHHOH-IPPBACCNSA-N	542.216	6.892	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1cccc2ccccc12	408886901	MXFGTYOWWBXFLX-FYJGNVAPSA-N	562.261	7.489	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)n1-c1ccc(Cl)c(Cl)c1	408887736	QSVBHYFVAAHCFY-ATZGPIRCSA-N	542.551	7.784	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(Br)cc1	408891993	WWVMFVSONBEINM-RDRPBHBLSA-N	518.411	5.981	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OC(=O)c1cccc2ccccc12	408897444	SEAKSJDFFTYHOL-FJEPWZHXSA-N	606.523	6.682	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(I)c1OCc1ccccc1C	408922891	HKVSXQGWMSKRMT-UVHMKAGCSA-N	587.439	5.571	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccccc2)c1C	408925780	PTOGRJUEUDZZBO-ZCTHSVRISA-N	572.643	5.136	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1	408942105	FSBXJWGWDHOSOC-GDLZYMKVSA-N	716.054	5.965	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1cccc(F)c1	408956446	WUEZPJHQWJDNDG-XKZIYDEJSA-N	562.439	6.313	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	408980329	QOUKGXYSXPMSSV-RZWSOBKFSA-N	553.659	5.979	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c2ccccc2)cc1	409004125	WQZFWRLMZJRZCE-NGUGDGFLSA-N	640.547	5.567	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)cc2I)cc1	409016227	FZADCSVKEJNOPF-NVJOKUIPSA-N	670.672	6.947	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1	409023365	RVQYTNAYUUKEHN-PEEVQDNISA-N	530.650	5.191	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409027979	WMFPUEFSOCURKH-QXUDOOCXSA-N	638.142	5.681	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1cccc2ccccc12	409031716	KLVNTWMBWYNQIR-RHKOWXKBSA-N	551.646	7.797	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409032540	JFEPIVPXUZRQJB-DLCNMLRHSA-N	588.864	7.800	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)cc1	409044387	CMXHLMSIOUXGOM-CAOOACKPSA-N	550.225	7.211	50	40	KKGB	
CC(C)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br	409047102	NAXIFGMUBMMUNT-MKMNVTDBSA-N	512.629	6.445	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	409067214	OJRWLTLIZHTECC-MHWRWJLKSA-N	536.915	5.681	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409079516	KPDCTIKMGPCJPG-CXUHLZMHSA-N	508.874	5.811	50	40	KKGB	
COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)c(=O)c1C#N	409083773	WACPXFXURVOXLH-HBHSWBPBSA-N	682.369	5.591	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)o2)cc1	409111896	DUHRQNARPCSMDB-NDZAJKAJSA-N	545.617	5.021	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	409113296	FLECWNBKSAUTFT-FABQOPTDSA-N	626.562	6.620	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C(F)(F)F)c(OCC)c2)cc1	409163954	AGMRRYHRMJFFES-AABVJFSESA-N	663.447	5.538	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	409219252	KMSHMJYTEHYQDQ-MHWRWJLKSA-N	545.220	6.319	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NCCCc1ccccc1	409221988	AMIQZGSXBPKTHP-BKUYFWCQSA-N	544.276	6.991	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409227310	XVMMFNVBRAYMQC-ACXHZZMFSA-N	577.380	6.137	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	409237442	WUFJWXGAURCREQ-YQUKCCFRSA-N	602.472	7.206	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccccc1Cl	409252966	AEFCVDSVTLUYDC-BCHBDCPOSA-N	644.545	6.409	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1	409267822	PEPLSSMMERIYRI-QOHYIEPDSA-N	510.421	5.638	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)ccc1OCc1ccccc1	409270337	PLQOQCLQSZUWCD-QJOVZPHJSA-N	707.565	6.757	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1OCC	409323720	PNGZROMVKIWRRO-MNDYBZJGSA-N	533.839	6.953	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc(C)c2)c(OC)c1	409371877	BAXSYZDWNGSYCX-OKCVXOCRSA-N	533.422	6.271	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cccc([N+](=O)[O-])c1	409372455	XXOVNXGHDGQYHZ-NHDPSOOVSA-N	658.233	7.600	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409378088	NFSMBNLHFZIJLU-XLNRJJMWSA-N	536.657	6.538	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)n1	409385713	JQNJQCWKPCYDAX-XDHOZWIPSA-N	506.347	5.355	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)c1	409394797	FZJSFRYRMMUTND-UHFFFAOYSA-N	647.323	7.352	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)cc(OC)c1OC	409395680	QPAGEJAXMZSPEF-UHFFFAOYSA-N	662.924	7.260	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)cc1OCC	409396980	DPYWYDPBUCSFEP-UHFFFAOYSA-N	690.978	8.040	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397515	KRNKOEKJPQEIHU-UHFFFAOYSA-N	503.558	6.135	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409399372	ZZVAZCUDJCALKS-UHFFFAOYSA-N	698.742	7.839	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(F)cc1	409400209	CBEFMMSIIWRFJB-KOKCXWAISA-N	660.540	7.909	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)OC(C)C	409402948	LMFVKERHVFHTHF-PMNVOCJDSA-N	672.960	6.785	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3F)o2)cc1	409404341	PXHDMYNFQZHNEA-RODHXAHZSA-N	660.058	6.748	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn([C@@H](C)C(=O)O)c4ccccc34)o2)cc1	409407421	ZSSOHFAJAZKMPS-DOQXUOTISA-N	524.577	5.630	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(Br)c1	1529546014	CIUSNOZOVGYSPY-MWKDUONYSA-N	730.479	5.984	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(OCC)c1	1529548132	AJHFLVLVKYIWMA-BVIORAGMSA-N	763.054	5.807	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccc(Br)cc1	1529548762	NMVHGFIZUJGYPE-CKRMDNAKSA-N	746.478	5.684	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1	2087871	UALNEMJMMJGVKT-OKCVXOCRSA-N	587.503	5.193	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	2214250	RTNMHRMMCZRCQT-KBVAKVRCSA-N	544.746	6.174	50	40	KKGB	
Cc1cc(C)cc(P(CCCCP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1	2381445	RNPCSNOMEQKYEQ-UHFFFAOYSA-N	538.696	8.500	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(Br)c2)nnc1-c1ccc(C(C)(C)C)cc1	2697606	IFHRABVTXFFTSP-VULFUBBASA-N	530.492	5.276	50	40	KKGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1	2761542	CRUJHMJNBDTIRL-WRHNGFHOSA-N	557.006	5.964	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(Br)cc1OCc1ccccc1Cl	4196285	XDSWIZKDXHVDHJ-YPXUMCKCSA-N	647.545	6.685	50	40	KKGB	
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	8398037	YYFAVFIXUFRSAA-LVRLRAESSA-N	520.671	7.267	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2nc(-c3ccccc3)cs2)C1	9591640	PZLYQMQMQMMNDZ-YLJYHZDGSA-N	503.407	5.240	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc(C(=O)c2ccccc2)cc1	12618424	IAMRACAWBZILTH-XIEYBQDHSA-N	518.573	5.527	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=C2CCCCC2)cc1)S(=O)(=O)c1ccccc1	19926573	ZTGCLECMUUAFIM-UHFFFAOYSA-N	510.059	6.094	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1	20347445	WHFLIYUKSKUFLK-MUUNZHRXSA-N	508.647	5.956	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccc(Br)cc1	30750289	XFVRWDUOTXXINX-NKVSQWTQSA-N	513.895	5.489	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1F	59116624	RUNDFPLNRABXRZ-DEDYPNTBSA-N	501.583	6.161	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1	97950986	HCYWKQZFDUIIIH-MHZLTWQESA-N	528.703	6.326	50	40	KKGB	
CC(C)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)NC3=C2C(=O)CCC3)cc1	98048719	IEURKKYZTCSTGH-RUZDIDTESA-N	560.041	7.283	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(C)cc2)cc1	100380190	FFTSOWZVIJAQBN-FDAWAROLSA-N	581.163	6.123	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)c1	102718290	PQJISELKELPHSC-MHZLTWQESA-N	545.064	6.055	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12	103888539	FCUAEFJDDQYEKJ-ONUIUJJFSA-N	537.457	7.764	50	40	KKGB	
O=C(c1ccccc1)C(SSC(C(=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1	104208074	BARFAXHXSRDEJV-UHFFFAOYSA-N	510.636	6.637	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	105098024	HKGDVEAHAJGUOV-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c2ccc(C)cc2)cc1	105585794	XZBPMKKNWLTVAU-NJZRLIGZSA-N	543.645	5.532	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(Br)cc1	209488871	HJADZXBCASZMTG-CIAFOILYSA-N	574.256	7.404	50	40	KKGB	
CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(C)n2)cc1	408537438	FCWXGQSZSDIHOF-YSMPRRRNSA-N	500.462	6.604	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2)ccc1OCc1ccccc1	408538647	AZQWZYLLBVFNTA-MZFJOGFUSA-N	515.009	6.661	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)ccc1OCc1ccccc1	408540511	SQVMIDLDFONCCN-MZFJOGFUSA-N	555.587	5.924	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550481	HEPCGXDXEGTZAX-RQZCQDPDSA-N	709.322	6.972	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408609267	QTWFSSBCQLSQQR-GOSISDBHSA-N	528.436	5.776	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)c1	408640699	BNHWLQAKPMKJRR-GMQJPKHYSA-N	779.265	6.239	50	40	KKGB	
CC(C)C[Si](CC(C)C)(CC(C)C)Oc1ccc(C(C)(C)c2ccc(O[Si](CC(C)C)(CC(C)C)CC(C)C)cc2)cc1	408722518	VFOKMIOYERKCIR-UHFFFAOYSA-N	625.143	12.597	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)c1	408742718	BVBCPDDEKZCLQB-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(OC)c1	408744441	ZUYIDZPWBIHJKR-STKMKYKTSA-N	501.586	6.592	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)c1	408747024	XZXIRKGRQWLVDF-OYKKKHCWSA-N	604.444	6.976	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1cccc(Br)c1	408759194	ZMFBKZBBKGXTON-YVLHZVERSA-N	530.191	6.475	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)c1	408763214	RRNOIINAPXXJIP-WOJGMQOQSA-N	620.319	6.232	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1	408771129	CTLFBAMWJURZCD-CHHVJCJISA-N	543.174	5.203	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408792883	BUHLBJHNSREKIM-RGVLZGJSSA-N	583.382	5.895	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccccc1	408794607	JUTHKGALFOGBEJ-RQZCQDPDSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(I)cc1	408799031	XRGXOZWNSSPJNS-UDWIEESQSA-N	664.281	6.728	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408807323	BTPMNPMYPXEYNT-UUYOSTAYSA-N	586.313	7.295	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2	408820067	SXTUWJVAPMNDMW-NHDPSOOVSA-N	565.420	5.387	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1	408826865	LCBBYIHMBPLPGT-NLRVBDNBSA-N	539.031	7.442	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C(C)C)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408828465	FASAIPTZUOWIPZ-OHUYPAJKSA-N	607.132	5.845	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408833292	TTWCMKDFCCOZDF-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccccc1F	408841616	FRPYJINMADNVKY-QNVXDBMFSA-N	665.972	8.460	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(F)cc1	408849758	YRUGRFWUBVTAJP-MTJSOVHGSA-N	595.412	5.765	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(C(=O)O)cc1	408852089	IAAINYWASTYJPZ-UUYOSTAYSA-N	574.431	5.482	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408856384	GMVTUAZHAFWNCA-LICLKQGHSA-N	522.901	6.202	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408856705	DENVAVFINGHQGO-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C	408859739	YQKZOXQOTKYIFG-ZXSNDDASSA-N	500.646	7.241	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408861882	VEXNJEVIQLQJAX-JEPNHJGPSA-N	712.688	6.811	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408863314	LTTSMOGBPOEEDB-XICOUIIWSA-N	594.615	5.693	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)cc2)cc1	408864552	XEWGLMCQIBCSLW-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408869852	SARGWHJHJABIPY-LZYBPNLTSA-N	570.192	7.899	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])c1	408882625	PQGPMMOUNBEBRD-VCHYOVAHSA-N	538.354	5.499	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1	408884294	UDHFAICPMYHWBC-RVDKCFQWSA-N	613.876	8.138	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1Br	408895370	MOIQXCGSHMNNIT-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2Cl)cc1	408896211	QINSJHFIIMSORR-ALQBTCKLSA-N	565.110	6.951	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408900131	SVHAYXSNAOADFV-KCSSXMTESA-N	553.412	6.747	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OCC)c1	408907853	PINMDZSCMCPJQC-YKDKEXQMSA-N	568.468	5.234	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccc(F)cc1	408924163	LQUPIBDEFNFGEU-XODNFHPESA-N	558.429	5.950	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	408924282	MNUGKBDUWBJQOI-KCSSXMTESA-N	517.610	6.956	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(I)cc2)c(I)c1	408948624	PQJOFKHDIFMQHB-HHHXNRCGSA-N	936.348	5.964	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12)c1ccc(Br)cc1	408953147	LQMJTQMNXBKILH-IGEYMPGBSA-N	594.440	5.555	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408963239	YIPVCQMSXQUKKK-XODNFHPESA-N	628.379	5.044	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408977405	DDZBDFMPQCHTJD-MJUYWVACSA-N	606.520	7.193	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc2ccccc2c1	408983104	KMDWKRROHNSOCD-CFRMEGHHSA-N	575.890	8.088	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1Cl	408983904	ODLFUDDTYYLPTL-IUXPMGMMSA-N	561.219	7.097	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(Br)cc1	408986074	ZIUNHMZAUJQWHZ-GRSHGNNSSA-N	604.726	7.697	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	409002912	QDAYEPHYKGFXHE-ZLZXEHKWSA-N	673.960	5.564	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(OCc2ccccc2)c1	409005732	KLXBPJXNLVIIDQ-KCSSXMTESA-N	582.509	5.914	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007006	MDDNVNHEXVGKPX-QRQIAZFYSA-N	605.735	7.125	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008300	VLDQDJBFRJSECW-IDWIKUEFSA-N	565.714	6.643	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccccc2I)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409013845	NTSQXCRHWGRGHF-WBIBEUCMSA-N	693.582	6.314	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c2C)sc2c1CCCC2	409023984	ORLKDRXDAOZFJA-NUJZUDFISA-N	524.042	6.375	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1OCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12	409041189	ZPGJDAOGGDGPEA-KVAAJVFYSA-N	743.770	8.107	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCc1ccc(F)cc1	409072823	DTTALQCYHKAABD-LFVJCYFKSA-N	514.553	5.864	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(C)cc1	409125245	MXVOOEGZPTVMQE-XMMPIXPASA-N	508.416	5.075	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1	409129560	HCELFNJPJHFSEB-VKVKMMGJSA-N	622.412	7.058	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	409137410	UZQJLVWFBZEEKF-DPNNOFEESA-N	610.063	5.175	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)Cc2ccccc2)c(C)c1	409144048	JJEIJBUCDDZGCV-CCVNUDIWSA-N	518.466	5.260	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(F)cc1	409144282	FCIIKVVRYRBVNK-QHCPKHFHSA-N	573.406	5.138	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C	409154803	KVLWJAYIJYIBGL-AABVJFSESA-N	670.548	5.132	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1	409165794	ABHSVSTWLDUDJU-PTEHHBOZSA-N	649.464	5.384	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	409168500	MYURQKIFPFFTTJ-XAZZYMPDSA-N	650.313	5.436	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1OCC	409217533	CXIQXMGABHEVTB-UCMJSZAQSA-N	596.596	5.628	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	409224939	OBYDLPOBQPAVAO-MNBJERMJSA-N	511.965	5.884	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)ccc1OCc1ccccc1	409256286	NCHPBVURMZICEE-GXBUFBABSA-N	551.643	6.063	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)ccc1OCc1ccccc1	409305928	XSMZSNDTOOOMID-ICUTVXMZSA-N	560.650	7.169	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)cc1OC	409321073	DZAHVWXCJWIEEW-FDVSRXAVSA-N	592.405	5.579	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1	409325581	ZJVOVXPCFZPAPC-GOSISDBHSA-N	518.864	5.684	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OC	409333149	NMXGQJYZWDOMMC-LQNQUEJISA-N	555.469	6.297	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409363256	KXPCAOOMVMFHNB-NDENLUEZSA-N	521.976	6.058	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(F)cc1	409370268	NYBVBHGJDJGWCH-LFIBNONCSA-N	512.310	5.290	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	409386055	NRMCJKRQZNLSOP-RPPGKUMJSA-N	528.359	6.054	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccc(Cl)cc1	409387905	YFLXHJPUMDFOGS-KKMKTNMSSA-N	574.840	6.577	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccccc4F)c(Br)c3)[nH]c2c1	409393511	XYEZFXIFCKZEMU-PXNMLYILSA-N	512.766	6.770	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395477	OARFVHOEBMZOBY-UHFFFAOYSA-N	769.799	10.168	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395540	OWPCAYGIVFGMNP-UHFFFAOYSA-N	741.190	8.014	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397169	HBJGRXHJPLVZIB-UHFFFAOYSA-N	546.627	6.201	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397450	KAUHSFQOSRTCJZ-UHFFFAOYSA-N	618.646	6.114	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C)cc2)cc1	1817773	JARIZNUMWQIRKD-GMKGVLOQSA-N	528.594	5.067	50	40	KKGB	
C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(=O)OCC)c1C	1886236	SLUDDSOOYNKKEM-VBKFSLOCSA-N	524.580	5.584	50	40	KKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)s2)cc1Cl	2670887	YPYCOCCNFVNVSS-LDADJPATSA-N	504.955	6.410	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccco1	3117404	HEJKILMWEVOIKG-JSKHIKRRSA-N	529.390	5.718	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	6137107	WFQGGKQOLBZUNW-RUZDIDTESA-N	516.648	5.463	50	40	KKGB	
COc1ccc(-c2cc(NC(=O)CCl)n(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1	16956867	JSJSILJWWKCILK-UHFFFAOYSA-N	503.809	5.611	50	40	KKGB	
COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2/C=N/NC(=O)c2c(O)ccc3ccccc23)cc1OC	97965883	VUBTWFODNMVNIG-KPGMTVGESA-N	541.007	5.892	50	40	KKGB	
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1	97980915	CRAHLYONVLGEJM-VOFJKJCTSA-N	541.677	5.533	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccco1	98048591	XZLQGPALVRRTLL-SANMLTNESA-N	530.625	5.996	50	40	KKGB	
O=c1oc2ccc(Cc3ccccc3)cc2cc1SSc1cc2cc(Cc3ccccc3)ccc2oc1=O	100170641	GEUWMLVBBLFKSB-UHFFFAOYSA-N	534.658	7.880	50	40	KKGB	
N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1	100902344	XIDDZGSJPXGNSY-VYUMYAIBSA-N	528.848	6.712	50	40	KKGB	
Br[C@@H](c1ccccc1[C@H](Br)[C@H](Br)c1ccccc1)[C@H](Br)c1ccccc1	101020824	YSPIMIGNBZAYHT-CZYKHXBRSA-N	602.002	8.831	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)o2)C(C#N)=C(SCC(=O)Nc2ccc3c(c2)OCO3)N1	102208681	NPSVHUHRJVXLJL-MHZLTWQESA-N	542.617	5.332	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(Br)cc1Br	102937220	SEYFQUBGIYDYFI-MUFRIFMGSA-N	537.255	6.889	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccccc1	150423734	YOYDYLQYUBDNPF-ALQBTCKLSA-N	667.140	5.889	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	150490651	RBLZXEVKPAXNMW-KPGMTVGESA-N	644.537	5.972	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	150630592	NUXWENVIZVPIDY-OPEKNORGSA-N	661.621	5.800	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408537848	HOHIYKGGQDXJPY-LMOHNTGSSA-N	670.791	8.493	50	40	KKGB	
COc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)ccc1OCc1ccccc1	408538312	KVHGHESSVUMBFR-XYGWBWBKSA-N	535.556	6.307	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1	408539099	SROXTQOKFJPZBI-MTDXEUNCSA-N	567.085	8.059	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)c1ccc2ccccc2c1	408548246	FCDNTDCMDUEYPM-QRVIBDJDSA-N	505.330	7.227	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OCC)c1OCc1ccc(I)cc1	408551982	QKNCKLIJYFXPPM-QRQIAZFYSA-N	571.458	8.215	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	408566538	AKGWIENBZBLNOT-VFLNYLIXSA-N	612.398	7.343	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cccc(C#N)c1	408567428	NGQFVZDYAUZOPY-OCKHKDLRSA-N	622.631	7.064	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(I)cc1	408712115	ZZROGHLQKDGARP-RWPZCVJISA-N	540.788	6.441	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408724922	FAMYDZWTRHRXQW-KEBDBYFISA-N	560.275	6.957	50	40	KKGB	
CC1(C)Cc2ccccc2[C@](C)(C(=O)N/N=C(\COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccc(Br)cc2)N1	408734426	QWYKSRAKFLUWGH-OVMIHLBLSA-N	640.666	7.656	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408740495	LCDWUYCRQDJDLR-ZHSUKTGHSA-N	682.773	8.010	50	40	KKGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br	408742362	ACTIRXDKUZWQGM-WDZFZDKYSA-N	514.999	5.528	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(I)c(O)c3)c2-c2ccccc2)cc1	408743423	TWXVQNDHWGSGHF-KEIPNQJHSA-N	627.482	7.284	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408743904	CHUYUSHLMOKBJT-WQRHYEAKSA-N	574.802	6.086	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(OCC)c1OCc1ccccc1	408745420	RZFVVXAAENZRDN-KQWNVCNZSA-N	517.423	6.701	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(I)cc3)cc2Br)cc1	408745719	VCITXKMDGLOIAN-UNOMPAQXSA-N	633.280	6.586	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745811	PHOCRPPYHGJWJX-PXNMLYILSA-N	591.643	6.898	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Br)c2)ccc1I	408747952	WCABRUYRBXBWRF-KKMKTNMSSA-N	613.677	6.367	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747999	WWODGNOADACJND-PDGQHHTCSA-N	559.201	6.178	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(I)cc1	408751610	AKNBYMWZRSCEST-LCYFTJDESA-N	509.130	6.404	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1)Nc1ccc(I)cc1	408762563	DUIVUBOPGYMGNB-LQKURTRISA-N	549.368	5.226	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)c3cccc(I)c3)cc2Br)cc1	408763097	NLUYNGMVIGMIFA-BRJLIKDPSA-N	678.140	5.656	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br	408763948	GVLIWNXLBVYPCP-WCIBSUBMSA-N	533.003	5.989	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1I	408764054	IFFYFHSGEDDAKI-PDGQHHTCSA-N	559.201	6.178	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)COc3cc(Cl)cc(Cl)c3Cl)c2C)ccc1I	408779574	YVTSLDRMIHOASW-YPXUMCKCSA-N	590.676	6.496	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(O)cc1	408793186	DFQYHKOTTHDHJK-CXUHLZMHSA-N	656.645	6.379	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(I)cc1	408793695	GFVMLWAXFRRNDD-VXLYETTFSA-N	651.726	7.539	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795686	VXMRAWKITNHCFB-VIZOYTHASA-N	706.987	8.248	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408796446	YEBFNWMGEKPSML-YDZHTSKRSA-N	714.297	6.960	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Cl)cc1	408797192	QGGRAKCGTCARLV-RGVLZGJSSA-N	572.830	6.695	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408815107	ULBAKWJKXJTYQX-BKUYFWCQSA-N	525.407	7.384	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(Cl)c1	408816963	SRDLQYYXSNMYLM-CAOOACKPSA-N	542.773	6.144	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1	408818784	YXTPPDZDKXDBDN-GRSHGNNSSA-N	621.244	6.004	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccccc1	408823178	FBYUWQOVJFCYKN-PCLIKHOPSA-N	709.378	8.156	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408827836	MUMAZZCIHJYSFC-CHSHITCJSA-N	760.121	6.972	50	40	KKGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408827845	HGMXBEBYYRPMSU-QXUDOOCXSA-N	681.192	5.258	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408842922	LWSZIYWWKZINOY-VPUKRXIYSA-N	539.366	7.165	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1cccn1-c1ccc(Cl)cc1	408854913	KRKFWWJHNGJFGM-KSEXSDGBSA-N	511.601	5.185	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408856471	HJAUSXOKPKTDSH-HBHSWBPBSA-N	644.886	7.580	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1	408860223	WWWQCTISWYFBFO-ALQBTCKLSA-N	682.593	5.708	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408861078	MFSXFRPZLANSPN-AABVJFSESA-N	711.849	7.343	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(C)cc2C)cc1	408861398	RNJUMGDNKXIMHX-HPNXWYHWSA-N	591.733	6.690	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccc(C)cc2)cc1	408863016	KBBMLIOPVRSNGM-UZWMFBFFSA-N	602.738	5.080	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(OC)c1	408872210	BDCMBQMKVAUMFU-DJKKODMXSA-N	531.823	6.466	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Cc1ccccc1Br	408875230	HSBRNIAHLWPXQO-VCHYOVAHSA-N	563.801	7.656	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1cccc(Cl)c1	408876929	RBEYSTQXLGHJIG-VCHYOVAHSA-N	576.793	6.607	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408878699	AJDYWWAVGXIXFR-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408884821	YJJLRHVHVVEBGB-WOJGMQOQSA-N	663.446	5.229	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1F	408922090	DCVHLUXGMOOWLF-KVSWJAHQSA-N	540.216	6.637	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408944152	IMNWORJJIUUKDX-NDEPHWFRSA-N	753.446	6.062	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408947277	BRWRDCORKAEYJT-NDENLUEZSA-N	638.437	5.204	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1OCC(=O)Nc1ccc(F)cc1	408947467	QBLLZGYIAAFZSW-QDTIIGTASA-N	540.345	5.124	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408950979	SUDIATOTZKOONY-HHHXNRCGSA-N	672.547	5.366	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5Cl)cc4s3)c([N+](=O)[O-])c2)cc1Cl	408989078	GVLVWBUTHCXKED-XDHOZWIPSA-N	660.564	8.769	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccccc1	408999849	WFDXQDPSMIETNH-UZWMFBFFSA-N	521.573	5.629	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)cc2Cl)c1	409011510	GVDVWZPGFDVAMO-VPUKRXIYSA-N	658.117	7.758	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OC)c1OCc1ccc(Br)cc1	409019133	PMHZFTTXVSPQOP-MNDYBZJGSA-N	553.840	6.929	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc2ccccc2c1	409033838	GDYQWPJIGAAOAU-BIKKEBSBSA-N	677.542	8.401	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409034405	HAVXYZNWVOSEFS-ALQBTCKLSA-N	515.016	7.322	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc2ccccc12	409125241	CRIJLHHVSHZULF-WJOKGBTCSA-N	551.687	6.200	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409133895	UUZPNHSBCYWAHI-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409138999	KXLVUYRIJPYTAE-HXUWFJFHSA-N	575.213	5.514	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc(I)c1OCC	409156458	OJHPYPCLESZVDF-AFUMVMLFSA-N	602.267	5.110	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccco2)c1	409218576	GFTWSXSHZIKHFE-OEIPYNJMSA-N	592.833	6.331	50	40	KKGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cc2cc(Br)cc(Br)c2o1	409246348	BIZFSSXGVUDWNN-DBFSUHOCSA-N	569.228	6.864	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409251351	PKDIBCHKUCSOED-QREGZJMFSA-N	536.382	5.729	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OC	409300698	ACCBQYAWJVHRQD-APTWKGOFSA-N	636.486	6.759	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)ccc1OCc1ccccc1	409310806	WONIAVRFKGMDOB-LJUMEUDFSA-N	585.465	6.113	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)ccc1OCc1ccccc1	409310986	XPXFWUGKQCNQJZ-BJUCDSOZSA-N	668.338	6.840	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OCC	409314392	RELDBXGKOOTUIE-GXBUFBABSA-N	605.529	7.531	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OC	409315369	VEFLYSHIQRLYOX-ZMGVVAQMSA-N	677.923	6.007	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OC	409321255	FEFRZKPCIYZZJZ-QDTIIGTASA-N	516.381	5.100	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1	409342513	DQQHEKDJKPRZPQ-UHFFFAOYSA-N	601.172	6.426	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(F)cc5)c(Br)c4)cc3)cs2)cc1	409362560	IAJJFOYEDMLNSL-QMRORBIVSA-N	658.553	7.545	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccccc1	409365172	SXXMNTCQUYFFQB-FZKWRIDDSA-N	571.605	5.593	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl)Nc1ccc(F)cc1	409366286	ZTAUWSDKQJNFHY-QNVXDBMFSA-N	634.520	7.781	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2OCc2ccccc2)Cc2ccc(Cl)cc2)c(C)c1	409368129	SKDGTJDMRDOOTG-FZKWRIDDSA-N	590.145	6.185	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409394539	BWEPALSJSGITPA-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409395371	MTNJUQCLIAMSOI-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(C)=O	409395746	RFROGWBJKZWVEA-UHFFFAOYSA-N	686.515	6.532	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409395873	SQKNCVQESLXVDE-UHFFFAOYSA-N	765.083	9.412	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)c(-c3ccccc3Cl)c2c1	409396375	YAMHCAWWLKKZKA-UHFFFAOYSA-N	709.822	8.704	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397518	KSAKSNJGTLMLCY-UHFFFAOYSA-N	684.317	7.738	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Cl)cc4c3-c3ccccc3Cl)cc2OC)cc1	409398439	SZPNAAXBTDHKFH-UHFFFAOYSA-N	622.892	7.795	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409398771	VPRXWSBWCFIECS-UHFFFAOYSA-N	570.571	6.903	50	40	KKGB	
CCOc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409400513	DNNCCJPBPDXORU-UHBFCERESA-N	566.452	6.200	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(I)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2I)cc1	409401216	GWNBNJLQJCWGIU-AEVGBRMKSA-N	828.445	7.565	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OC(C)=O	409403940	ORFAMEYGUKMFEF-UHBFCERESA-N	560.563	5.262	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCC(=O)Nc3ccccc3F)o2)cc1	409407028	YOPNHOFBEQUYIW-KMUKQRDJSA-N	580.616	6.187	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccccc1Cl	1529548641	KOHJBAUNPZMQBH-JKYKOXDNSA-N	797.897	6.171	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	1529548853	ONSKVPDGNGWBHR-QJRRNWEHSA-N	687.775	5.186	50	40	KKGB	
COc1cc(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1F	1531386401	CXWSSKPFZFPOCX-VHFSBPNMSA-N	646.513	7.519	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O	1531387100	CAXHJOXDSBUFKR-AIZPWWCGSA-N	561.510	5.381	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N/c2ccc(-c3csc(Cc4ccccc4)n3)c(Cl)c2)cc1	1701350	MJIFYQGAZUCGAA-FDAWAROLSA-N	528.936	8.089	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC)Oc1ccc2ccccc2c1Br	2080881	IMHDPERLNVXWSR-IYAOEYEUSA-N	544.243	5.685	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2	2350174	ZJDGUZDMDCTXCK-LDADJPATSA-N	535.456	6.814	50	40	KKGB	
CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	2771427	SXEANQOPCPJIQK-SCWWFSKWSA-N	551.191	5.286	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1	9109239	UMESHUVBISPXBI-OAQYLSRUSA-N	515.791	5.505	50	40	KKGB	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)/C(C#N)=C3/Nc4ccccc4S3)cc12	12565790	XCRRKFYTDBCWKU-XLNRJJMWSA-N	506.996	5.728	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccccc1	15012263	KQZFPCDTEJNCLO-PDGQHHTCSA-N	512.201	6.336	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@@H]1c1ccc(Cl)cc1	20080795	QGGUPWQNMOPRHK-VWLOTQADSA-N	508.043	5.699	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3Cl)c2C)c1	20243660	CELMTVGKRZIMEV-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccc(Cl)cc3)c2C)c1	20243678	RFIZSRFJIXEDRL-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	20347541	HJOSLNBZVHVYDJ-MUUNZHRXSA-N	508.647	5.956	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl	58913477	YELMWSGHKJGLSY-OKCVXOCRSA-N	521.404	6.282	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1cccc2ccccc12	59333512	FGZXROOQJSNVRH-ODLFYWEKSA-N	512.347	5.027	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	59335703	XOYJUMIKSYHTEJ-XKZIYDEJSA-N	507.417	7.164	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1	59883502	HEWOZZAKUZMPHR-XODNFHPESA-N	574.806	5.467	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(C)cc2)cc1	59884252	UONCHAIBMWUFRK-FADJLKOXSA-N	593.705	6.081	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cccc12)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	97965748	OWUWQGZDOKTRNC-GZOMZLSJSA-N	601.921	8.577	50	40	KKGB	
Cc1ccc(-n2c(C)c3c(c2C)C2(C(=O)Nc4c(Cl)cc(Cl)cc42)c2c(c(C)n(-c4ccc(C)cc4)c2C)[PH]3=O)cc1	97984064	DOWYESBYMKIFBL-UHFFFAOYSA-N	614.513	7.536	50	40	KKGB	
CCCCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	98000133	SDKFQFFOFVLCFP-NDEPHWFRSA-N	558.729	6.634	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1Cl	100119467	UVVZUOVCDRRGII-UXHLAJHPSA-N	535.069	5.478	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	100132227	BQJZKWLAAXRJRF-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1	100286674	MYZBSHSQRSSWOL-LGJNPRDNSA-N	571.280	5.110	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(Cl)c(Cl)c1	100852813	AOGNXEIMSDTTRK-VULFUBBASA-N	533.531	6.923	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)N=C2CCCC(O)=C2[C@@H]1c1cccc(Cl)c1Cl	102868822	RIJGHFJEILEPPF-OAQYLSRUSA-N	563.304	7.397	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1	103783464	IFKZRXAOVMSZNY-UVHMKAGCSA-N	581.692	6.998	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4cccc([N+](=O)[O-])c4)c3C)sc3c2CCCC3)cc1	103794941	UBQUYSQGXLPNHV-KBVAKVRCSA-N	555.660	6.267	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1	103845766	ASJZXIWNGIGXQO-UCQKPKSFSA-N	544.449	6.174	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCc1ccc(Cl)cc1	104402000	ITOCEEMYTAFNPG-UVHMKAGCSA-N	613.677	6.449	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccccc1F	108229503	BHUABDDJDLRSRP-VCHYOVAHSA-N	613.452	6.376	50	40	KKGB	
CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341777	IOCKQMRFWRKEEK-QGZVFWFLSA-N	834.424	13.306	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cc(Cl)ccc2OC)cc1OC	150474426	AVAAFKCWWVCALQ-FABQOPTDSA-N	639.174	5.736	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1ccc(Cl)cc1Cl	163908957	NAXQZPWSMNWPER-QNVXDBMFSA-N	700.360	7.194	50	40	KKGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	254309923	LDENIJIWBUXUTI-WGZOFRLPSA-N	581.345	5.587	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)ccc1OCc1ccccc1	408537934	IESFLVPVTICCNW-WGARJPEWSA-N	587.503	8.323	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1Cl	408548533	IHDLTRVFVFJEDG-FSJBWODESA-N	504.811	7.907	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	408555003	UXFOZCHDBIVMNQ-HYARGMPZSA-N	568.496	7.539	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1C	408570528	WKLZPGRQXOLYQD-VULFUBBASA-N	526.640	5.019	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408570734	XWWLAOVSEHLBHR-CHHVJCJISA-N	547.211	7.423	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OS(=O)(=O)c1ccccc1	408580327	OJMPRKJWDBGHBW-GZTJUZNOSA-N	551.789	5.785	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408649521	LCPPCROOCAJJHR-WGXFHILCSA-N	742.333	5.313	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408672633	OHOWYWSZFPUGMZ-NCOADZHNSA-N	554.666	5.327	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408673849	XVAITYVBAROLTR-DBDQLMEASA-N	638.740	5.033	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccccc1Cl	408711754	IXKCOZJJWGDIAL-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744617	GFSFZQZCFVGMJP-SXGWCWSVSA-N	685.643	6.582	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746302	RQPYEHYZIBCDFW-MFOYZWKCSA-N	684.655	6.372	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)ccc1I	408747537	PIYKCRMVGHGRBG-WKULSOCRSA-N	655.405	6.080	50	40	KKGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12	408761232	CROAEWOGZWWHLZ-KCSSXMTESA-N	530.609	6.331	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1	408766893	WMPIFMRMGLVLIL-IPPBACCNSA-N	534.332	5.178	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C	408778610	IKZCOUKAUKCXEV-VYYCAZPPSA-N	576.498	7.444	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(I)cc1	408785221	UXGUVYGCWWJPLP-MFOYZWKCSA-N	569.237	5.463	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)cc1	408796171	XHAKIMRMFQONTK-LPYMAVHISA-N	505.412	6.453	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1C	408803233	MTOXWOHFCHLYSO-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccccc1F	408811248	AJYWGCZTAOPFEQ-SXGWCWSVSA-N	658.636	6.813	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408811517	REROPIRHRAESIH-UQRQXUALSA-N	574.680	9.005	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)c3ccco3)o2)Cc2ccc(Cl)cc2Cl)cc1	408823426	DGTGZSWLKGEBCT-CCVNUDIWSA-N	546.432	5.643	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408823770	GGXXLTHLWWCLEK-WSDLNYQXSA-N	683.342	8.376	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OCc2cccc(Cl)c2)c1	408823795	GHBWPTZTJGTXPS-LFVJCYFKSA-N	603.900	7.815	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408824098	GYOBCIZBLYWRPY-GIJQJNRQSA-N	663.852	6.393	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)Cc3ccccc3)o2)cc1	408824399	HLVKMHXHUNYKHF-UXHLAJHPSA-N	536.053	5.325	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1	408824905	BFXGKFAJBJFABF-VQWGYEAZSA-N	796.755	6.586	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408827995	NCDQQUXSFCHOGL-HYARGMPZSA-N	642.764	9.113	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1	408828324	DMZGDDJWJZGTPY-KPRPFPDJSA-N	817.173	6.931	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408832653	YHDORQGTKOAPJW-KCSSXMTESA-N	611.507	5.357	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccccc1	408841811	LRWGROSVNYNRNQ-HIWRWHBISA-N	575.012	6.839	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408844710	PDAACOSLCIYGCV-FDAWAROLSA-N	597.540	5.137	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)c4sc5cc(C)ccc5c4Cl)cc3)sc2c1	408849596	ZLHJKEIKFPCMLA-UHFFFAOYSA-N	568.507	7.367	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(F)cc1	408854934	BJFUDCYXLJKLFD-JNKLXYNLSA-N	553.059	5.094	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccccc1Cl	408856338	HIXIHPLNHRIEOF-MTJSOVHGSA-N	611.867	6.279	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408857229	FKNAANBYQVIKHJ-KCSSXMTESA-N	667.538	5.599	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408868440	MNWLLJCXCICMOU-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1Cc1ccccc1Cl	408868505	NLBWWBZEKDANLM-LZYBPNLTSA-N	550.667	7.554	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408877283	UWGKLDWGXOATAP-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408882110	PXTVUFYBTHGLQF-WOJGMQOQSA-N	593.248	7.121	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OS(=O)(=O)c1ccccc1	408900309	VAVFAZWIFDXUQW-LFIBNONCSA-N	643.286	6.310	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925537	RYWIXQCQVAWVAN-MHWRWJLKSA-N	594.860	5.927	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408962718	JQNXUKFPMTWJFN-KVSWJAHQSA-N	511.725	6.464	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408970714	CMSAWAHDDUBUEW-ARYYDRAESA-N	542.463	5.427	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1cccc2ccccc12	408978058	GUWNWAQGPXBRKT-YPUVQOQNSA-N	557.650	6.439	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc2ccccc2c1	408983066	KBBUBSUDPUTMBP-YDZHTSKRSA-N	561.863	7.697	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408993658	WZSNYVSEZHFSBJ-KSIXQZGUSA-N	603.510	6.016	50	40	KKGB	
O=C(COc1ccccc1Cl)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	408998956	VLZDYUDQFGUNEI-GXBUFBABSA-N	584.901	7.756	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007756	QRRPBDCMLIXOFV-NTFVMDSBSA-N	575.709	7.035	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc12	409016091	UNDCGADXEZQAKI-BRJLIKDPSA-N	563.189	6.116	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409016535	DFBOMCUPXJUPOQ-WAYXKRTKSA-N	722.979	7.957	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	409016582	QKNXGNLKQJLETF-JQMVSIKFSA-N	530.452	5.930	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409027278	FISVTJGUAIJYGO-QXUDOOCXSA-N	618.756	5.472	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1	409029081	VPELEOSAOJFBDX-FMFFXOCNSA-N	605.116	5.266	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	409042922	LONYMLGESLDLOU-KCSSXMTESA-N	581.426	6.915	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081026	PCCKXIGOSNOVHV-XDHOZWIPSA-N	511.456	6.028	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C2=C1CCCC2=O	409125362	NDRATEWKKBZERF-NRFANRHFSA-N	577.704	6.174	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12	409181405	CMOLRWNIBDOMAW-DNTZENCSSA-N	611.701	6.889	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1cccc(Cl)c1	409187287	OKQRPHHSBULDQX-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccccc1Cl	409242471	VEWSVMSQQNHQOD-HAHDFKILSA-N	600.884	6.578	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1Cl	409250935	NRFWHDKBZYVKPR-IZYHBKOJSA-N	660.583	8.041	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409252140	QTQKNNLRGAXXRZ-YDZHTSKRSA-N	576.491	6.645	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1	409254750	INWAKUUFOZCVMC-MTJSOVHGSA-N	592.446	5.424	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)ccc1OCc1ccccc1	409256261	LAYWEZSLUROOBY-WBIBEUCMSA-N	707.565	6.676	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1cccc(C)c1	409265227	RLVVUJKCCHKQEC-FZKWRIDDSA-N	591.693	6.652	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1	409266392	WMKVUJIBGACXIF-RODHXAHZSA-N	729.853	7.933	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409268654	XCSRDLMIUAQJNS-XKZIYDEJSA-N	562.464	6.336	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	409273327	XFROOTJZNKSSNI-RODHXAHZSA-N	733.486	8.477	50	40	KKGB	
C=CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1	409310123	QTCTXTGIOLTULR-MWLSYYOVSA-N	588.296	6.518	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1OCC	409315815	WZQPBBPNKNQDHR-UHBFCERESA-N	531.487	6.357	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OC	409319649	JQCXOEUPHNFJRF-MNDYBZJGSA-N	542.419	5.657	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2)cc1OCC	409323693	PEAQNFHJCGJHSC-ACXHZZMFSA-N	645.348	6.265	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409327712	WPKOJWCRLCIPSH-KYHGBAKBSA-N	573.524	6.532	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1OCC	409332111	JQWWRAGIKFXNQE-MNDYBZJGSA-N	517.384	6.439	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Br)cc1	409344736	KBSMZINGVYVDCX-UVHMKAGCSA-N	611.128	6.716	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(I)c2)cc1OC	409365688	RMVQXBXRLVWFMC-VYYCAZPPSA-N	656.258	5.185	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1	409373923	ITJQFURTAUOPSD-ODLFYWEKSA-N	569.830	7.171	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(Br)cc1	409373947	WNNDWEULODIVMZ-OCSSWDANSA-N	533.422	6.353	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409377858	LPLAHPALEMNQRE-LDADJPATSA-N	538.373	5.550	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1	409380408	MLSXYYQWAWNZFV-NSOVKSMOSA-N	745.585	5.202	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	409381448	GCTKNPAEAYCPGQ-KULFSUQXSA-N	676.582	7.659	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409392333	PATIYJXFSQZCNK-XAZZYMPDSA-N	601.726	7.159	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)c1	409394436	AIEOUTPDYQXOKB-UHFFFAOYSA-N	631.324	7.651	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409394944	HXKRWRMJYIYPJD-UHFFFAOYSA-N	645.897	7.705	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)[nH]c12	409395069	JLHVVMZJZMKPKH-UHFFFAOYSA-N	507.977	6.780	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409396046	VRTAXAIDEJUOJP-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1O[C@H](C)C(=O)O	409400410	CVNDBZRFLXRNPY-XVIDZLOXSA-N	624.488	6.043	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC	409403565	NJUSPJOTLFLSOW-NMQPEJGJSA-N	604.616	5.277	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(O[C@H](C)C(=O)O)ccc4ccccc34)o2)cc1	409405368	TUGBUWHORUEQJD-QUFIRZMCSA-N	551.599	6.035	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccccc1	1440872	PDPGJGYNDKECFL-AYWVHJORSA-N	520.633	5.245	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1	2211799	PVVNFZWIZURLNX-MUFRIFMGSA-N	505.043	5.579	50	40	KKGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1O	2338125	CLQXXEFGCLTSGB-BIZUNTBRSA-N	539.705	6.217	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	2353740	QEXRVLCDZPOZPU-UXHLAJHPSA-N	529.735	6.505	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1	2888389	RPLNURYOYVEBEW-SSXUBFHHSA-N	587.293	5.547	50	40	KKGB	
O=C(CC(=O)Nc1ccccc1)NN[C@H](Sc1ccccc1)c1cc(/N=N/c2ccc(Br)cc2)ccc1O	8665179	BLPOTYOCUHPVBJ-IQCRLWEOSA-N	590.503	7.011	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122353	WBHVUVGJJJFDJR-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	100211362	HHRAFUZWPDTFMF-ZCTHSVRISA-N	559.644	5.086	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1Cl	100232853	MKYSUXJULJSHGD-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100232922	WNDDUPDMEYGTGI-NVMNQCDNSA-N	537.668	8.451	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)nnc2-c2ccccc2)cc1	100859019	LMIWHVNXERQLAG-AJBULDERSA-N	535.629	5.978	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)cc1	100871870	HCSKEFAIMBARNW-HHPODCHXSA-N	547.636	6.081	50	40	KKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ncc(Cc4ccccc4Cl)s3)o2)cc1	100878781	BCPXWPLHORCAOC-PXLXIMEGSA-N	546.048	7.150	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl	101304906	QYIHSUXTNXOXHJ-VWLOTQADSA-N	564.494	6.762	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	101748861	RUGJAJXXKDQNPX-NVJOKUIPSA-N	548.220	6.854	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	101965552	TZQBCULHYFSHLD-MUXKCCDJSA-N	570.396	5.121	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C(C)=O)cc2)N=C2CCCC(O)=C21	102533440	XNZLTJFHUNSRKX-SANMLTNESA-N	501.608	5.929	50	40	KKGB	
CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341481	CFMMYQUNYUCBII-NSHDSACASA-N	800.269	11.601	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341917	SMRQCFYUXDTSON-HXUWFJFHSA-N	976.519	15.747	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12	150420311	SFXAPZWCKBVPNY-IMDUHAKDSA-N	636.020	5.052	50	40	KKGB	
O=C(CCSCCC(=O)N/N=C\c1ccc(N(CCCl)CCCl)cc1)N/N=C\c1ccc(N(CCCl)CCCl)cc1	150487154	XBWAYOANFHZCOD-YWQXDYITSA-N	662.515	5.368	50	40	KKGB	
C[C@H](S[C@@H](C)C(=O)N/N=C\c1ccc(N(CCCl)CCCl)cc1)C(=O)N/N=C\c1ccc(N(CCCl)CCCl)cc1	150487166	KANYMTGRGORSOA-PRGKVFTKSA-N	662.515	5.365	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	216063342	BRPDIIODCSYLNN-MUFRIFMGSA-N	545.861	6.633	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(Cl)cc1	408550382	GUCDFRHPTJTEGL-OYKKKHCWSA-N	518.838	8.298	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1cccc(C(=O)O)c1	408552431	UFPADQIHAHTWOM-MSXFZWOLSA-N	561.375	6.794	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)CC2=O)cc1	408601272	AQLSAGOHPWYIRQ-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408638088	BUOLIARKAFKYRI-LRSLUSHPSA-N	806.118	7.682	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)cc2)cc1	408667763	KPDRPOBYROJCAR-UHFFFAOYSA-N	566.054	5.543	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1ccc(Cl)cc1	408710798	LDGRVSXZDWAFAT-XODNFHPESA-N	552.252	6.506	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(I)c(O)c1	408737537	CTFSMEJIBODAIK-WYMPLXKRSA-N	551.178	5.102	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1I	408740717	DPQWBUFOQOFIHZ-ZROIWOOFSA-N	509.141	5.164	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1Br	408742725	SIIOGQFOUGVNME-QCFMCPCVSA-N	576.494	7.903	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	408744615	YWWJMWKSSGMKDF-MTDXEUNCSA-N	515.620	7.820	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)ccc1I	408746419	DIRKEDMQJPYFML-KKMKTNMSSA-N	568.770	5.444	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2F)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408750855	SNIHARUJHNAAFY-MNBJERMJSA-N	580.397	5.396	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1Br	408767339	ZGRIFNBEKJTKMO-GHRIWEEISA-N	555.226	5.775	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(I)cc1	408787793	GJOZFYFTRXZDQC-RGVLZGJSSA-N	664.281	6.646	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408789667	QVGSVQUOODJHLI-LZYBPNLTSA-N	536.640	7.534	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408791732	BPPBTMVCVCPWFI-RQZCQDPDSA-N	546.204	6.579	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1C#N	408793882	HAKLJQVZGZZCJE-WSDLNYQXSA-N	563.395	5.995	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	408820084	TUKAKUWVJCNQRK-XKJRVUDJSA-N	542.246	6.807	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc4ccccc34)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408830543	YPDNVEYXTDJOBG-FZKWRIDDSA-N	615.111	5.875	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)c4cccs4)c3C)sc3c2CCCC3)cc1	408853166	YYESCQQJZRJYAX-MWLSYYOVSA-N	516.692	6.421	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	408855841	FGYBTRJKPJZWHD-KVAAJVFYSA-N	748.008	5.961	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1	408856037	ALVMHSNOMAXUEQ-HNSNBQBZSA-N	668.566	5.400	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2C)cc1	408856688	DDTBBIXGVFOYSC-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408857195	NDUPMRZOPFVRPA-QDTIIGTASA-N	553.210	6.172	50	40	KKGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408859731	QABJEQPKURAKLZ-QNKGDIEWSA-N	550.640	5.159	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12	408862432	YUZPSUZXTNXJQU-BKZXGXTDSA-N	578.090	5.384	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Br)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408863759	PUSPOYCDIZVVNZ-VPUKRXIYSA-N	647.216	7.490	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1Cc1ccccc1Br	408872957	PWRALXSATVZZCQ-LZYBPNLTSA-N	642.118	7.506	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cccc(I)c1	408879108	CLSHNWSEQDFCCC-XYOKQWHBSA-N	519.682	5.658	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1	408882891	PIJUJLBONHIALJ-RLBUEPIHSA-N	524.371	5.417	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2Br)cc1	408886611	KTHPRBRIFDRNES-MHWRWJLKSA-N	576.812	5.633	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)c3cccc(Cl)c3)cc2OC)cc1	408886803	MGOUKRUZXGRXRH-LGJNPRDNSA-N	517.763	5.103	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccccc1F	408905092	SWZOYSMHRXDYHQ-QDTIIGTASA-N	603.344	5.826	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)cc1	408941879	KNYJAKCGPXJLSA-VQNDASPWSA-N	528.612	6.234	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1	408945045	KAJGZWLQRXTIAW-LJAQVGFWSA-N	726.606	5.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)c(OC)c1	408947101	AGSQUNXEYVKZFG-HVJLQFNCSA-N	703.949	5.549	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1	408947604	NZERTXKEAHCJIK-LJAQVGFWSA-N	637.158	5.121	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)c(OC)c1	408949722	FXMDBMMCTKIHGN-MMGYZVBGSA-N	695.567	5.074	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408965958	XZQMPFKRKIYBKB-KNBZMSCYSA-N	576.196	7.126	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409004599	ARGOHTGRECOOLF-DBFSUHOCSA-N	648.308	5.917	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	409006677	QSMDXYYSTXARAL-XODNFHPESA-N	570.882	5.005	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409007631	YKRZWBYDPSWVMC-OCSSWDANSA-N	510.421	5.575	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccccc1Cl	409012420	HYMZBUCLSQZCRI-DCTWKKERSA-N	709.070	7.998	50	40	KKGB	
Cc1cccc2c(/C=N/NC(=O)CSc3cccc4ccccc34)c(C)n(Cc3ccccc3Cl)c12	409034800	IITLONXZGIYTHT-VTNSRFBWSA-N	512.078	7.355	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409060495	WJQJSFNWVHIHJH-KCSSXMTESA-N	626.960	6.023	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	409219962	SAZJMHSYIAUTLZ-OQLLNIDSSA-N	605.670	6.134	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccccc1	409228340	XOMBIHRTTSDNOO-HAHDFKILSA-N	505.412	5.693	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OC)c1OCc1ccc(Br)cc1	409254388	XAAYKTKSGHUMNC-ITYLOYPMSA-N	545.477	6.421	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409259948	IEXNWDGDBYINIU-XKZIYDEJSA-N	562.022	5.705	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1	409260760	VVNZWRSDDWQHQX-MHWRWJLKSA-N	589.671	6.428	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2C)c(C)c1	409269846	ABABTFHAUJYAEI-LPYMAVHISA-N	532.438	6.246	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OCC	409305690	WQYBYSFRTOUOQD-UHBFCERESA-N	667.338	6.593	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OC	409310514	VLUPOTZANFUJPK-RHANQZHGSA-N	652.507	5.327	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OCC	409315498	VTYWTDMXAOPHEX-MIXAMLLLSA-N	521.570	5.524	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1OCC	409325734	AGYZOUGACPAWMF-MBTHVWNTSA-N	515.379	5.729	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1OC	409325881	CEHGFNGVHOWUMV-QDTIIGTASA-N	596.703	6.615	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409372717	HKSIZNPIONBJTE-WKULSOCRSA-N	568.265	6.716	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1	409374076	XVEJQJBOBQUNLQ-MXAYSNPKSA-N	502.752	5.283	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)c1	409394588	CMQWMQFQPSJVKU-UHFFFAOYSA-N	760.664	8.768	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)[nH]c12	409395411	NGWQWOAFKGTXSJ-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)cc1	409395700	QTTBIHPUCUACPT-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409396844	BVPARTZPPBUFLS-UHFFFAOYSA-N	605.016	7.556	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397292	IJLOHHZDPYLQMK-UHFFFAOYSA-N	632.514	8.132	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409397759	NTYXSVGFNMAFEU-UHFFFAOYSA-N	600.002	6.544	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(O)cc4)c3C)o2)cc1	409401726	ICRYLLUEWRWEIG-CAQPMQTCSA-N	522.605	6.143	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409406519	WZUQMABZFIRYKL-ROILIRBCSA-N	686.987	7.175	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1	1529548748	NBIKRIFXTQDGGN-AYSITGFNSA-N	645.540	5.597	50	40	KKGB	
CC[C@@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C	1569992577	RUSKMTKSRJEHQC-YVDAXCLASA-N	614.547	9.342	50	40	KKGB	
Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)Nc2ccc(Br)cc2)N(c2ccc(F)cc2)C1=O	1790134	UDISLMQFRACYLH-YMGIJWJESA-N	536.426	5.962	50	40	KKGB	
Cn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1ccccc1	2319767	ZJMOZFRSNHVVJK-JFLMPSFJSA-N	536.455	5.066	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	2706428	RBIBWMFTIHCQMB-BIZUNTBRSA-N	598.526	6.518	50	40	KKGB	
O=C(CNc1ccc(Br)cc1Br)N/N=C/c1cccc(Oc2ccccc2)c1	3091783	YBIUYLNEBAFZPB-DHRITJCHSA-N	503.194	5.566	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccccc1)=N\NC(=O)c1cc(Cl)ccc1O	5580209	WIZKOACVGYZSPQ-HDDKTPPPSA-N	513.989	5.863	50	40	KKGB	
O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1ccccc1NS(=O)(=O)c1cccs1	6093153	XNBGTLOMGQVSTO-YDZHTSKRSA-N	518.045	5.166	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)cc1	6445791	YKFAOLVKJRXJML-LVTPPWGZSA-N	560.857	7.304	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1	10476043	YLFCEYIHRJKVIE-STBIYBPSSA-N	525.443	5.827	50	40	KKGB	
CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4Cl)cc3)CC(=O)N2C1	12251080	XPRQHUXHVWLPGQ-XMMPIXPASA-N	516.066	6.701	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3cccc(C)c3)c2C)cc1	20243636	QDEGTCVHWVULIS-LGJNPRDNSA-N	500.462	5.557	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)c2C)c1	28217249	NLCAFRJATVDFLI-GOJREDGKSA-N	532.732	6.930	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	53307607	LHZRQTSXAKDCGR-HSZRJFAPSA-N	530.477	6.405	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1	58919235	KLPFMVLIEAJPID-AFUMVMLFSA-N	508.452	5.061	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)ccc1OCc1ccccc1	59473699	RXRQTGMVXDTEEW-UZWMFBFFSA-N	510.659	6.862	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59856342	KQFPTKAQGLLAAM-WEMUVCOSSA-N	562.091	6.207	50	40	KKGB	
O=S(=O)(/N=C1/c2ccccc2/C(=N/S(=O)(=O)c2ccc(Cl)cc2)[C@H](Cl)[C@H]1Cl)c1ccc(Cl)cc1	97957683	TZAHICNSZWGOQL-JWNWBZSNSA-N	576.310	5.578	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	97960980	SPNSONJGBGVARO-RWPZCVJISA-N	541.854	7.043	50	40	KKGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)cc1	97961081	TXOSJKFQNZKNMJ-UIXKFZOQSA-N	573.123	6.231	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	98000219	CBNYEIJYEKVBPM-HSZRJFAPSA-N	558.885	5.900	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	98001477	VAXWVDISWDHKMI-OXUBWTJQSA-N	625.033	6.782	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3C)c2C)Cc2ccccc2)cc1	100070320	FKBMOASWKOWRMV-APTWKGOFSA-N	585.730	5.011	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1cccc(OCc2ccccc2)c1	100858116	GNLJCYGNOYAVPM-BIZUNTBRSA-N	560.123	6.925	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	100955944	BKDWBTYTPJQXHI-JEPNHJGPSA-N	618.542	7.071	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	101556533	GQFXQYIETRRXJK-MUUNZHRXSA-N	544.076	6.460	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	102808130	OFXFRTVBQUOHTO-VWLOTQADSA-N	552.578	6.313	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)N(c3ccccc3)c3ccccc3)=C(C#N)[C@@H]2c2ccco2)cc1	102808691	PTHFCJXMIAQRQU-JGCGQSQUSA-N	618.715	6.889	50	40	KKGB	
O=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1OCc1ccc(Cl)cc1Cl	102831065	BWKRCVPAJMZMJZ-UHFFFAOYSA-N	590.290	7.533	50	40	KKGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1	104134152	WQPWOVBSPAEQGM-SSEXGKCCSA-N	549.696	7.524	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	105227068	BHJAWNBIUQFWQD-GZTJUZNOSA-N	526.332	6.065	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CCCl)sc2c1[C@@]1(C)CC[C@H]3c4ccc(OC)cc4CC[C@H]3[C@@H]1C2	108236031	LYQYBPJEQKARMN-SQPXAIMNSA-N	502.076	6.071	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	150370496	FPFGDDMCCAVQKM-ZHSUKTGHSA-N	630.859	7.271	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795411	ZMYQRKXENMOIRL-GASCZTMLSA-N	700.221	10.060	50	40	KKGB	
CCO[Si](CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC	195756046	WTEXGKUNHMKALI-UHFFFAOYSA-N	617.422	5.915	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408540896	CMCJFYQRDXGNEZ-JAIQZWGSSA-N	570.339	5.939	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccccc1	408542518	JXQUPYHRQXYULM-JAIQZWGSSA-N	521.367	5.671	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)c(C#N)c1C	408546931	PATIZZRXXOPAHV-ZVBGSRNCSA-N	651.482	5.888	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC	408551117	BMXYNSNGQATAMT-MHWRWJLKSA-N	510.413	5.217	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408551287	JXVJBVJKBBUGQF-SXGWCWSVSA-N	652.272	6.178	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl	408553354	OEWPKFMUUUPAJP-OQLLNIDSSA-N	579.665	6.972	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccccc1F	408554173	QOKMFDFMJLCDJS-VCHYOVAHSA-N	566.452	6.533	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1	408608875	QDBDUJGPBSFODT-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	408636808	CRPJMGIWBJKECF-SIKLNZKXSA-N	520.409	5.073	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)ccc1OCc1ccccc1	408719345	BWXBBNAFNWQMQV-JFLMPSFJSA-N	513.457	5.810	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c(Cl)c1	408739534	CNAJMGGMZFWQSG-WKULSOCRSA-N	570.862	6.524	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	408745907	WIPOVOZUCFORTI-NHFJDJAPSA-N	558.479	8.428	50	40	KKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)c2C)cc1	408760861	GNKIRTVBECETKO-BRJLIKDPSA-N	519.237	5.651	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	408771296	FMSQIFVEDZISCJ-MUFRIFMGSA-N	568.961	5.311	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)cc1	408789263	IATCJHYJVZDRIO-VCHYOVAHSA-N	556.800	6.534	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(O)cc1	408789295	IOQZHLVVQLPYKW-GZTJUZNOSA-N	530.749	5.775	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1	408791348	WHLGTPXIJNGZRN-VCHYOVAHSA-N	546.248	7.279	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795471	VMOGNUOHULCASH-TURZUDJPSA-N	589.489	8.306	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408796453	YEHGZDCFRQAWLW-VXLYETTFSA-N	503.312	5.354	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408796587	YQZRTWFTLOBWFQ-CIAFOILYSA-N	582.394	5.685	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1I	408798232	VKFKLIIBFXUUFP-MHWRWJLKSA-N	537.195	5.727	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408799557	ZSBUHTLOFBDAMC-LZYBPNLTSA-N	683.094	6.849	50	40	KKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408822975	DHBKUEHZECKLRF-DEDYPNTBSA-N	507.373	6.139	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OC	408840826	BZJWLWBTMMZWFS-WKULSOCRSA-N	612.493	6.638	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1cccc(C)c1	408841280	FYXRKXFNXXEELG-PUHLOBNQSA-N	603.066	7.538	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1	408841677	GPPNZIKIWWPMCV-DAIMOMPDSA-N	558.388	5.677	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1cc2cc(Br)ccc2o1	408843330	FLURNOVDSZXPKB-FXMZOFOKSA-N	536.184	6.984	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5ccc(Cl)cc5)c(I)c4)cc3)cs2)cc1	408847064	SJOTTZFNPLXHFO-QNVXDBMFSA-N	804.879	9.068	50	40	KKGB	
O=C(Cn1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21)Nc1ccc(Cl)cc1	408850206	IEDBGSONSBZVQE-DBFSUHOCSA-N	549.812	6.206	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408863223	LGCLOKSDAOLDDP-KEIPNQJHSA-N	585.726	5.935	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cc(C)ccc2C)cc1	408863981	SEBVOKPNGNECGP-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408869500	SJHOPYTWAVATIZ-NVJOKUIPSA-N	601.122	7.260	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1Br	408880520	KHDGBEMJSAWMCQ-BUVRLJJBSA-N	603.900	7.815	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408882582	RHDUYKMEHPUYGS-IEDNCLQISA-N	548.064	5.376	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1F	408887184	OVLZISDZRBPOET-RQZCQDPDSA-N	596.318	6.582	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccccc1	408889495	DDSVBFGNKNRUNG-BRJLIKDPSA-N	616.624	5.892	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408894828	JDLRUIFQRWVQTL-MHWRWJLKSA-N	519.426	5.066	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2Br)c1	408926647	XHIRUKUQDQWANI-OMCISZLKSA-N	640.115	7.860	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	408946569	YXUGOHBAUSMHCB-WKULSOCRSA-N	542.444	5.193	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccccc1Cl	408957686	VMDRJJWXUJJOKD-QKRNDYIXSA-N	691.181	5.775	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c(OC)c1	408957785	VXNIWXMPOWEEKY-IBPXFIEHSA-N	671.585	5.135	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408965445	HMCSRFCXPPATLR-XODNFHPESA-N	541.333	5.110	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1	408969224	JLXNEBUPIOKQNL-KTOPISSASA-N	654.978	6.880	50	40	KKGB	
CC(C)COc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1	408970878	AABUIDMUIHENNM-JDIKJQABSA-N	556.490	5.673	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	408971465	OVCACVPJXALVJI-YWNCOAFESA-N	624.952	6.871	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408971780	LBXLOWKWHKOKGI-SCNJMARLSA-N	554.474	5.607	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(I)cc1	408982374	GQZIBVXTCYDSFC-YBFXNURJSA-N	607.275	7.430	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc3c(c2)OCO3)cc1Cl	408991974	RVSWJTNCZZBMGA-NVMNQCDNSA-N	525.786	6.264	50	40	KKGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl	409004363	CBTGBRJHEKOAGT-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409021268	ZRWXDKZQULTDRL-IBBHUPRXSA-N	704.315	7.178	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccc(OCc5ccc(Br)cc5)c4)cc3)cs2)cc1	409031715	KLRBYSYYIHGPFD-DPNNOFEESA-N	597.538	7.968	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccc(NC(=O)c2ccco2)cc1	409034874	OIRNIECFPVPCAU-NTEUORMPSA-N	564.381	5.532	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1O	409037775	NOQPBGYEQRITAK-LGJNPRDNSA-N	523.412	5.794	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1	409070404	GDJNHPXHODYWOM-SFQUDFHCSA-N	591.867	5.823	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	409093056	YYRZBIQTEBVSSO-CXUHLZMHSA-N	667.334	6.351	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)OCO3	409098247	KTORCCYTRLVZNB-JOCHJYFZSA-N	695.207	5.330	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409128364	FHXNKICEDUHJND-IBBHUPRXSA-N	604.443	5.509	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409138998	KXLVUYRIJPYTAE-FQEVSTJZSA-N	575.213	5.514	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)C2=C1CCCC2=O	409139541	BHKIMANHIKKGST-JOCHJYFZSA-N	568.269	5.392	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409141583	JBOXIJDUQIGZRK-NRFANRHFSA-N	573.197	5.623	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(I)c1OCC(=O)Nc1ccccc1C(F)(F)F	409168203	LEUJKZRFHPUNMW-ROPCREHHSA-N	682.437	5.377	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1Cl	409176073	YARRAUNDEAOBCA-VYVUJPJFSA-N	633.113	6.169	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409176703	VNNJXIPIOPZGKM-XRKIENNPSA-N	670.310	5.802	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OCC)c1OCc1ccc(I)cc1	409189079	IEOFFWCXYQHQDO-JCMHNJIXSA-N	556.444	5.963	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br	409200624	IYZBTOUFKUODJS-NUGSKGIGSA-N	564.683	5.049	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409219298	LBCUZCFGMUAJGM-FWQBDNRFSA-N	529.292	5.193	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1OCC	409219726	PLUUZJTWQBUDPE-DICXZTSXSA-N	511.918	5.029	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409226752	SLHPIRVZTANUPO-QUOIJOHASA-N	636.424	7.103	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCC(=O)Nc1ccccc1	409237451	ITNYSLVPYFXBOW-JCMHNJIXSA-N	548.437	5.131	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccccc1	409238768	LXLZQJCUWYLGMA-CTPANLQCSA-N	506.356	5.721	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(C)cc1	409241492	XXIYVYBEYZANFT-CFKHXJFWSA-N	566.439	6.362	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1	409255050	YZVREWNRYYIMJI-APTWKGOFSA-N	558.034	6.099	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Br)c2)c1	409255313	JMHFQPGWCFYIRY-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OCc1ccc(Br)cc1	409267301	UQZLDUVYOIUQSY-WYMPLXKRSA-N	574.360	5.836	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1OCC	409315683	JQBRFUIUZMZKKY-LJUMEUDFSA-N	529.008	6.408	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OCC	409326062	GFMYWLWFXPXZBE-LQNQUEJISA-N	645.450	5.905	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(O)c1	409390021	BNLIGQNXNMAMMR-LUOAPIJWSA-N	601.224	5.664	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396199	GBBWQFLNZUTNRQ-UHFFFAOYSA-N	626.065	6.804	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397899	PGSSKQUSGWWFAY-UHFFFAOYSA-N	616.899	7.633	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398966	XDYTYWHDFWMPMZ-UHFFFAOYSA-N	613.026	6.787	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)cc1OCC	409399280	YVTGFEOJLXJLCI-UHFFFAOYSA-N	625.125	7.335	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(Cl)c(Cl)c1	409400294	NUOARCCIVKQJSE-UHFFFAOYSA-N	618.517	7.924	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(Br)cc1Br	409402709	KQSKUMGQYNBFQH-AEVGBRMKSA-N	737.445	8.151	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCC(N)=O)ccc4ccccc34)o2)cc1	409404605	QIZMBYWYRQYFBV-FZPRHHONSA-N	536.588	5.047	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccccc1Cl	409406473	WVWJUSUIQSGDML-KOKCXWAISA-N	676.995	8.424	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc([N+](=O)[O-])c1	1531386435	VNBKDLJVMLRZKQ-ALQBTCKLSA-N	594.624	6.526	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1OCc1c(Cl)cccc1Cl	1784300	CCTMDYONLVYFFL-ZHSUKTGHSA-N	593.492	6.170	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OC)c1	2670146	QYZFVSXDCUPCDL-FYJGNVAPSA-N	504.608	6.242	50	40	KKGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1)c1cccc(Br)c1	3115398	AGRTZCUXNWKOBR-AXMMYCDFSA-N	539.429	6.125	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(Br)cc1OCc1ccc(C)cc1	4047779	RCQRBBDPJKUXAG-STBIYBPSSA-N	518.411	5.900	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)c(OCCC)c1	8402383	SMESEUBOPJUDBS-RDRPBHBLSA-N	525.443	6.370	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccccc2)cc1	12273789	DVLOEBYJHOSBNV-VOEFLUBFSA-N	511.647	5.097	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	59410800	YYIDHJMAWKZYHV-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	97951280	OWAYWKFTZFSFBT-NDEPHWFRSA-N	544.076	6.460	50	40	KKGB	
C/C(=N/NC(=O)CN1C(=O)N(c2ccc(Cl)cc2)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C)c1ccc(Cl)c(Cl)c1	97966498	NZCCMQKIUYKQKA-QKEXKMMXSA-N	652.366	7.111	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1N=P(c1ccccc1)(c1ccccc1)c1ccc(P(=Nc2cc([N+](=O)[O-])ccc2C)(c2ccccc2)c2ccccc2)n1C	97984861	UIRNAELELQYLSG-UHFFFAOYSA-N	749.748	9.077	50	40	KKGB	
COc1cccc([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4ccc(Cl)cc4)s3)C3=C2C(=O)CCC3)c1	98006247	NLPOOBAZWUNQJB-JOCHJYFZSA-N	536.082	5.797	50	40	KKGB	
Cc1cc(C)c(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5Cl)cc4)CC(=O)N3C2)c(C)c1	98048450	UWMTWVLGEFPCQA-VWLOTQADSA-N	530.093	7.064	50	40	KKGB	
CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1	98048469	BTLDXKXOCUBUIV-AREMUKBSSA-N	532.065	6.537	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332253	VLNYFBFRWFBCKL-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
CC1(C)C(=O)[C@]2(Br)CC[C@]1(/C=C/[C@]13CC[C@](Br)(C(=O)C1(C)C)[C@@H]3Br)[C@@H]2Br	100747174	KCHBNJFXKOPVID-FIZGZBGSSA-N	616.026	6.115	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)c([N+](=O)[O-])c1	102073581	SSIQZTKMXXBSMK-KGENOOAVSA-N	529.530	5.070	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccc(C(F)(F)F)cc3s2)ccc1OC(=O)c1ccccc1Cl	102930346	YZFVDOXGTQHEPY-XNTDXEJSSA-N	514.912	7.260	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc(Oc2ccccc2)cc1	102941895	BACKFALVKDQNTJ-PTGBLXJZSA-N	536.588	5.854	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1	103887451	GOYMMPNZWWBENI-QRVIBDJDSA-N	531.837	7.689	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	108242413	KQUDVBDNOSASOK-DHRITJCHSA-N	543.330	5.007	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918305	JWEOPRVXJUYGSP-RLPLIERXSA-N	549.678	9.359	50	40	KKGB	
O=C(NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(COc2ccc(Cl)cc2)cc1	150452727	SLIHHCBQAGBOOI-GDLZYMKVSA-N	637.545	5.405	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1	150507677	QTRSCGRAIGSGSD-GTLAPPAYSA-N	676.040	7.505	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	169795368	NSCZBJZJRFUNMQ-RYUDHWBXSA-N	658.140	8.890	50	40	KKGB	
Cc1cc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)c(C)cc1Br	226385240	NMRCQAZVYBNJKU-FOLKFRGRSA-N	619.192	5.343	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C	408542195	HPQWCVISXMMKIY-CIAFOILYSA-N	559.464	6.649	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1	408565997	CTCGFUVRUOIQAL-GATIEOLUSA-N	523.170	6.007	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)COc3ccc(C4SCCS4)cc3)o2)c(Br)c1	408568463	JIWNUVUGGTYUIY-MXAYSNPKSA-N	517.470	6.025	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccccc1C#N	408568470	JKNJMKFRWMMMKS-WCMJOSRZSA-N	568.120	6.197	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408606345	LOVXRLKJSMUFHX-INIZCTEOSA-N	532.399	5.606	50	40	KKGB	
O=C(NNc1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408607593	NHEUWTBKFUVEAN-OAHLLOKOSA-N	549.252	5.831	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccccc3)c(OC)c2)N2C(=N1)SC(C#N)=C2N	408608920	XPWPIHFODZLFTE-DEOSSOPVSA-N	504.612	5.002	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(I)cc3)ccc3ccccc23)cc1	408711592	AOYHTGOMCVHWGH-UXHLAJHPSA-N	564.423	6.115	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1	408711746	IQNZPAWNMVTDPW-MWLSYYOVSA-N	592.861	6.014	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc2ccccc12	408756807	UFSQOHOZIQMELQ-CMDBMJFNSA-N	573.715	5.579	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2cc(C)ccc2C)cc1	408782119	HQPXEDSCXPXMFH-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I	408790288	OQWJLDQQXQBEKW-NTUHNPAUSA-N	636.611	5.037	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408792352	ATIGDIROYJPELR-VXLYETTFSA-N	559.833	6.957	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408797756	TVDDZLZMRPFFLD-UDWIEESQSA-N	580.391	5.667	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OC(C)C	408812371	MUUVNFMNLCPRDS-OQLLNIDSSA-N	510.759	5.676	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2cc(Br)ccc2o1	408815477	HUOHMGIBVFUXQG-LGUSAWBASA-N	606.654	6.683	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC	408823830	FKJBAVWIWPHGBI-FYJGNVAPSA-N	568.411	6.132	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC	408839441	SGCKIGAAENJCKS-FJEPWZHXSA-N	555.487	7.422	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Cl)c1O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840423	YPQKCMSCAWJQQZ-LUOAPIJWSA-N	562.276	7.093	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842336	JBRFMLZBQKNGED-RPPGKUMJSA-N	527.831	6.439	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842944	KPLDEDXZNQBQJX-AABVJFSESA-N	591.495	8.343	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1ccccc1	408844778	PIMMCSZKTRXUFG-XAZZYMPDSA-N	589.437	6.940	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408848340	UCQSSQNXYVCIHS-HYARGMPZSA-N	559.435	7.573	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408860772	DUJGCNSMACAJSU-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)cc2)cc1	408863063	KOUUIMGVUHHVMV-HWLOXFRGSA-N	590.724	5.931	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccc(C)cc2)cc1Br	408863457	RZDAGHMIEUKYJM-BIZUNTBRSA-N	622.541	5.691	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1Cc1ccccc1Cl	408878262	ZDBAUPMHKFVSGN-RQZCQDPDSA-N	516.222	6.901	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1Cc1cccc(F)c1	408879164	BAUKSYIYEOGPFT-YBFXNURJSA-N	526.349	5.965	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408881520	MQMAKEYXKUWZPJ-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccc(C)cc2C)cc1	408884006	SCRGWDFUIRHNFJ-STBIYBPSSA-N	546.605	5.126	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408887415	ODCKVTNFUAGNOP-LDADJPATSA-N	575.868	6.123	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2c(Cl)cccc2Cl)c1	408893277	DNNHBMIMOKSNES-MHWRWJLKSA-N	528.348	6.043	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc(I)cc1	408904859	PPNJBIVDZBCLMT-QDTIIGTASA-N	687.170	7.258	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)cc2Cl)c1	408905016	RYQCUHUQROZDAL-PPDIBHTLSA-N	521.242	7.107	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408925530	RXNHKJHPPMWELG-LZYBPNLTSA-N	547.192	6.789	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1	408943471	HNHUDADJRZFFFX-NDEPHWFRSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2cccc3ccccc23)ccc2ccccc12	408946413	MWDXHYQLDQRNBH-PSXMRANNSA-N	658.780	6.457	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408947322	BZKDCZRMNBPDJH-UUYOSTAYSA-N	636.446	5.924	50	40	KKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408949907	SQOGCOLIOVQUML-XOKSAUCDSA-N	530.466	7.156	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)c(OC)c1	408956544	RCOPFZYUVKYKOH-JRUUSQMTSA-N	665.143	5.355	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1	408958020	XEFZEXXQKPMQJJ-OOIMYDLUSA-N	529.571	5.101	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408971294	FPELLBJHBGBYQU-MDFIKCDCSA-N	695.394	5.352	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1	408981315	APSAIGAGGLIHNG-JAIQZWGSSA-N	525.830	6.934	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1	408984596	SDVHMYNCALEHFI-MFOYZWKCSA-N	733.569	7.745	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)cc1OC	409013148	LMNROJJMIPANMR-XKJRVUDJSA-N	566.825	5.211	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1c(O)ccc2ccccc12	409014653	XVUKUYLACOIXJW-OCSSWDANSA-N	556.471	5.236	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCc1ccc(Cl)cc1Cl	409016433	ISUQJXVCFZJKFG-BVMLUPFRSA-N	524.404	6.048	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OC)c1OCc1ccc(I)cc1	409021075	XPTALKIQMIYLKI-XAZZYMPDSA-N	771.187	7.485	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1	409044869	DULDLCMOAKRWEN-XSFVSMFZSA-N	611.436	5.652	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1Cl	409053738	OXJIAGWFNABRQP-ORBVJSQLSA-N	605.541	7.823	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccc(Br)cc1	409125882	GCTUPZCRYNXICM-QHCPKHFHSA-N	619.253	5.955	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	409142069	AWLGPEIVNFCNOX-UVHMKAGCSA-N	613.677	5.988	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	409202238	QQDMZFGDVAXNDY-LUOAPIJWSA-N	558.712	7.231	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409210627	LTFXSHDHLWTQBW-KKMKTNMSSA-N	563.857	5.631	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2Cl)c1	409218826	LGCMQAJMFJMURK-UHFFFAOYSA-N	621.831	6.246	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	409220069	UBASHHUJYNTSHW-CYSFQNGNSA-N	561.641	5.735	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc5c(c4)OCO5)c(OCC)c3)c2)cc1OCC	409220272	VXKJPQUEFSVUCM-UHFFFAOYSA-N	639.661	5.847	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409223420	FLGBMOPGUOVNRF-MHWRWJLKSA-N	534.321	6.575	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409225013	NXPRBXAEKFOVSV-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccccc1Cl	409237803	JPSAMDHPZICGMT-MUXKCCDJSA-N	566.798	5.754	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409260468	QPQFQYWTKJVGFY-QRVIBDJDSA-N	532.040	6.536	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)ccc1OCc1ccccc1	409266359	WEKFBECGLZLZJF-OJYCWLPVSA-N	581.669	6.071	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409304047	PHYXSNXZNCTJRO-CPDSRJINSA-N	641.289	6.523	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)ccc1OCc1ccccc1	409309152	CETSLGDBGTWUPU-BJUCDSOZSA-N	553.417	7.063	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OC	409322577	KRCZILXKIAKXJB-UHBFCERESA-N	540.016	5.236	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c1	409364128	NDNKDXITIJNEJZ-ULPWCQAASA-N	693.150	7.091	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc2ccccc2c1	409371319	GVFUWPNXRSKXQM-FMCGGJTJSA-N	515.363	7.162	50	40	KKGB	
O=C(NNC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409384132	BIEPNGAIGFLNTF-CLJLJLNGSA-N	766.003	5.927	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409387092	TTZGULJSHJSMJA-VFLNYLIXSA-N	615.437	5.891	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)[nH]c2c1	409391223	IAZGHQBQSSBQLH-ZDLGFXPLSA-N	594.409	5.575	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(C)=O	409394647	DFMNXUGKOKIGTQ-UHFFFAOYSA-N	735.385	7.286	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)cc1	409394833	GMKJKWRPFKLMAM-UHFFFAOYSA-N	734.659	9.612	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409396091	WIYQHDMNWULQTB-UHFFFAOYSA-N	568.973	6.388	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Cl)cc4c3-c3ccccc3)cc2OC)cc1	409397134	GQLKUNZLCKGTFB-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(Cl)c3)o2)cc1	409400269	CKRGZCVPPQWAEF-RODHXAHZSA-N	632.500	7.614	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409403007	LQFDZNRAQWDDAC-ZMGVVAQMSA-N	624.488	5.743	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1	1531387238	SGBSZTQBZLNIIB-UXHLAJHPSA-N	504.502	5.382	50	40	KKGB	
COC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)SSC(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)OC)C(F)(F)F)C(F)(F)F)C(F)(F)F	1565683394	PTMKQOJPJXPNJN-RULNZFCNSA-N	946.316	9.249	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1Cl	1950370	VCEYTUDVGBOOHA-WKULSOCRSA-N	529.862	6.752	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cc(Br)cc(Br)c1O	8396933	AVYULMIBNBYOQC-OZHCYYCFSA-N	628.778	5.591	50	40	KKGB	
CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NN(c1ccccc1)c1ccccc1	12558574	FCXPEMROBURCGI-MHZLTWQESA-N	522.605	5.325	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cc(Br)ccc1O	14408695	LIHVLZNIEAISOW-CCVNUDIWSA-N	509.787	6.304	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1	20197826	RDOOZCUNOIZVOB-JFLMPSFJSA-N	501.808	6.234	50	40	KKGB	
N#CC1=C(N)OC2=C([C@@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc12	20558261	RDEVQJKUVYQPMO-JOCHJYFZSA-N	509.509	5.232	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	59885387	FNIBDDITCLBWBX-OKCVXOCRSA-N	551.974	5.269	50	40	KKGB	
N#Cc1ccc([C@@H](Cl)[C@@H](Cl)c2ccc([C@H](Cl)[C@H](Cl)c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	68563525	SPXGECHQSXUQAE-CJRSTVEYSA-N	564.212	7.766	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc(Br)c1OC(=O)c1ccc(C)cc1	97962077	LHZCKQGVSJDIQW-CCVNUDIWSA-N	525.399	5.131	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)cc(Cl)c1OCc1ccccc1F	97966394	XMNIJYHOGZRWGE-AMVVHIIESA-N	568.030	5.172	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC)c(Br)c2)cc1	100029527	JGXHCXVOICWSIG-GKVFSHECSA-N	549.469	5.225	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)c2C)c1	100125981	HHWBVLPIKIUCOC-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl	100336276	VAONJSNXUJOTFT-MFOYZWKCSA-N	589.773	5.986	50	40	KKGB	
COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc(C(=O)OC)c1	100933582	PMTYEEYNOARMKY-XMHGGMMESA-N	537.553	5.619	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4cccs4)c(NC(=O)c4cccs4)s3)o2)cc1	102392980	HDQRWLAAQOROHN-CYVLTUHYSA-N	557.678	7.686	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(C)cc1	102933436	MHPKELXSQDOBQI-YBFXNURJSA-N	569.355	5.641	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2ccccc2c1	103890511	YQKNJKJMNJKRPP-XKZIYDEJSA-N	596.308	8.432	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	103890966	UNEOQXBQPSFLJE-BKUYFWCQSA-N	552.414	7.153	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	103902131	KNJKAECATNMROC-XKJRVUDJSA-N	582.347	7.035	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)c(C(=O)OCC)c1C	107976892	VCDAFOZTBKJIHX-KGENOOAVSA-N	596.499	6.470	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(C(=O)OCC)c1C	109871702	OBILXCUOMHRMFX-UDWIEESQSA-N	609.531	7.439	50	40	KKGB	
CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341754	IFJUTKWHUKOPCG-INIZCTEOSA-N	920.411	14.187	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1I	150472658	RISHIVDSHMLGNY-VZUCSPMQSA-N	623.572	5.402	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2OCC)ccc1OCc1ccccc1	408538322	KZHCJMZRISIPOS-PJYNGAJZSA-N	777.741	10.036	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc2ccccc2c1	408544335	VMRNSNQQPQKPPL-CFRMEGHHSA-N	618.427	6.666	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccccc1Cl	408548628	JZSABISGNHJJFR-FMCGGJTJSA-N	551.811	7.750	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550987	ISNQMJVKHJYCQU-HTVDVWKISA-N	772.452	8.255	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408579234	DZOYDKUHYQXQKC-VGOFMYFVSA-N	557.739	8.829	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408580922	SLXGNPZNVCUZOV-SRZZPIQSSA-N	586.857	7.042	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccccc1	408746162	BVZUTGONNTWAGT-ZCTHSVRISA-N	592.433	5.265	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)NCc1ccccc1	408747575	PTFMNDVESGFHFW-CFRMEGHHSA-N	531.837	7.058	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2Cl)c1	408748090	YGVVMGQXXFNSEN-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1	408752181	GEQDBSQMFUJRDB-HAHDFKILSA-N	525.402	6.930	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1cccc(I)c1	408761794	HPKFZOMAQLXECI-XYOKQWHBSA-N	564.133	5.768	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1Br	408784942	DPJLVGOZEBQASX-ODLFYWEKSA-N	556.254	6.653	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408787735	FNCWJCKSCPYNMU-VXLYETTFSA-N	604.284	7.066	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408793198	NVYBWBQZRHUJBP-GZTJUZNOSA-N	512.747	6.135	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408794015	HBXNXYSYFLVUSN-CAOOACKPSA-N	652.670	7.048	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408831390	PIWNDRANUIXQJT-BUVRLJJBSA-N	618.473	8.004	50	40	KKGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1	408832201	ROQAGKXLYICZFL-BJUCDSOZSA-N	643.549	5.692	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccccc5Cl)c(Br)c4)cc3)cs2)cc1	408839257	POPVKHGABRUMDL-QNVXDBMFSA-N	710.879	9.383	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c(C)c1	408842012	NGXMLTPHTBYKJN-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4ccc(Cl)cc4Cl)c3C)sc3c2CCCC3)cc1	408843947	BGRMGYMOIQKWQZ-JCMHNJIXSA-N	603.575	8.448	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408848912	XCLBNPBLHSMQAP-NYAPKIOYSA-N	589.034	5.036	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)c(Br)cc1OCc1ccccc1Cl	408853502	UTOHRRYVRAZHBA-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c(Br)cc1OCc1ccc(Cl)cc1Cl	408854700	AGHBHXBIMLPWCG-QNVXDBMFSA-N	675.476	8.845	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O	408856389	GRAKQKNHUABVJW-VTNSRFBWSA-N	642.959	6.285	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408860010	QQWJDFSYIAYSTM-BAXYXGPBSA-N	582.347	7.116	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl	408860347	ZHAZIRYHQBOCQU-IWMOUMOSSA-N	665.009	7.228	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	408861256	PNSPWYIRAGWVIO-HNSNBQBZSA-N	567.589	5.630	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408862903	JETKOBBFHLUVCZ-KULFSUQXSA-N	650.506	7.245	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2cc(Cl)cc(Cl)c2)cc1	408863974	RXSZLWGJUXMSGV-PQUNFVABSA-N	653.588	5.904	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(OC)c1	408868925	PZCZQDIUBPDUNM-BUVRLJJBSA-N	588.445	7.140	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1Cc1ccccc1Cl	408870624	UBTBAGRKBMUEDB-LICLKQGHSA-N	516.222	6.901	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408879504	GMZBUARJEVWDCI-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)c2cc(Cl)cc(Cl)c2)cc1	408883408	PQWMFQMRGLXAAO-XODNFHPESA-N	564.516	5.142	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OS(=O)(=O)c1ccc(C)cc1	408889199	ASACNVOXSCYZEE-GZTJUZNOSA-N	517.390	5.624	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccccc1Br	408891406	QEPKQVWQHUBERM-UDWIEESQSA-N	569.839	6.412	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2Cl)cc1	408892276	AIHVESIOLHZODC-MHWRWJLKSA-N	512.305	5.675	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1Br	408900679	XMQUPMOPWSBRGI-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)ccc1Br	408904340	IAGQDHQQBHGLSD-BCHBDCPOSA-N	677.562	7.513	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1	408921611	JOPJVOGKGWCLSJ-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CSc2nc3ccccc3o2)cc1	408923419	IKERRIPVJNOGKF-LQKURTRISA-N	531.615	5.300	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccc(Br)cc1	408923540	JKGZGBJFGULYQN-RQZCQDPDSA-N	714.046	8.178	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(Br)c1OCc1ccccc1F	408924745	OCIAYHYQFJPTTE-WOJGMQOQSA-N	563.345	7.130	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1	408947698	QTXATFYHLLSRIX-PQKVGRGHSA-N	604.537	9.256	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)c(Br)c1	408950269	RVTNPKFXLNCEQW-GDLZYMKVSA-N	651.583	5.222	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)c(OC)c1	408955021	OCCWGIMWDSQCFE-QGOGVWFISA-N	683.737	5.541	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)c(OC)c1	408955295	OMARKPJLOPITDZ-LAFJBSAWSA-N	695.567	5.074	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCc1ccc(Cl)c(Cl)c1	408955897	POGZMFUSTRVTPR-AAXGDHPSSA-N	681.573	6.030	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(C(=O)O)c3)c(Cl)c2)cc1	408956797	ZQPRLHOINMULPE-OJYCWLPVSA-N	564.041	7.147	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1	408994238	YKMUDFCCQSVBPR-XOIHYXODSA-N	617.709	5.237	50	40	KKGB	
CCCOc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	409011463	FLSSKLAFNIRSFI-HKJXJVSNSA-N	538.472	5.239	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409017000	CVLLRXWXIXNHHO-YNFMAFFXSA-N	588.817	6.168	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	409019961	YJJIEYYZKJFKGB-UQGPSBGRSA-N	589.314	5.222	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2cccc(C)c2C)cc1	409025110	QQDRNFCSDVFDEP-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1cccc2ccccc12	409037459	CNSRZFYSMNETQL-HASSKWOGSA-N	663.597	8.821	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)cc1	409039275	CELVUFDRMAAYIA-LPYMAVHISA-N	531.395	7.058	50	40	KKGB	
Cc1ccc2cc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)c(Cl)nc2c1	409113738	FCEMBAHMGVMPIZ-MUFRIFMGSA-N	521.042	5.235	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1cccc2ccccc12	409139236	AJXBQTQQYDSWLZ-FJEPWZHXSA-N	547.405	5.611	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1Cl	409151428	BILPNCFURXHAMY-IPBVOBEMSA-N	598.668	5.516	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C(F)(F)F)c(OCC)c2)cc1	409175125	QGRKYFBVBUIAAX-AABVJFSESA-N	665.463	5.762	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409186609	FMDXCYSOKGDBKE-UNOMPAQXSA-N	526.228	6.645	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(I)cc1/C=N/NC(=O)c1ccc(Cl)cc1	409191586	INXTWEANRHRNMU-KKMKTNMSSA-N	641.634	5.764	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409212127	PFTYYMLFVOIANL-ODLFYWEKSA-N	524.327	6.307	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	409216155	IESGWRGXYGLHTR-XODNFHPESA-N	577.884	6.021	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	409218111	CSQQCWFMHYLGCQ-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409224702	LXSFWUVXCAZZII-UDWIEESQSA-N	629.882	6.523	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(I)cc1	409248167	GNLUAXBAFHATLS-HMAPJEAMSA-N	586.857	6.188	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Br	409257260	PPNZAXHKEKNNSU-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)c1	409259551	AOFFOEUVZWXJNW-MFOYZWKCSA-N	614.250	5.991	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409264563	MGPJROWPKSELSB-XDHOZWIPSA-N	568.855	6.373	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)cc1	409267050	RVDWUQWRQCMYQJ-GWPKRETCSA-N	506.002	5.129	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409271589	VGQVDUVSADHZMP-KFTQWTFOSA-N	500.357	5.215	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC	409313109	BLAABOVKZRHXIU-FDVSRXAVSA-N	545.405	5.737	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)ccc1OCc1ccccc1	409322615	MGXZQRSPUXQZRJ-OHUYPAJKSA-N	532.999	6.800	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)ccc1OCc1ccccc1	409323279	NCWOOVFMRLRKPM-BYDMSBDESA-N	723.296	8.282	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)ccc1OCc1ccccc1	409333816	JPMFARGLJIZLDO-RHANQZHGSA-N	542.504	5.647	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	409371774	NVCABOHGHOPVDX-GRSHGNNSSA-N	513.775	7.053	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1ccc(C)cc1	409371860	AQUQCIBCGSECLY-KBVAKVRCSA-N	502.998	6.552	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1	409373142	MRWDXCTUUJLJHR-VYYCAZPPSA-N	502.354	5.572	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409387240	VFJOACXWLBWLDY-WCMJOSRZSA-N	603.498	7.322	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1	409391886	LYWOKJUMKPNSPC-KPGMTVGESA-N	522.432	6.687	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395202	KXQPYFUHQZTRPV-UHFFFAOYSA-N	652.288	7.796	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)c1	409397237	HSQIUSQRWMKGSL-UHFFFAOYSA-N	548.986	6.352	50	40	KKGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCc5ccc(Cl)cc5)cc4)ccc32)cc1	606422438	HJDKJVWMOQNEHR-LJAQVGFWSA-N	555.055	7.078	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1	2322055	FECLFLRXCUPTDU-BIZUNTBRSA-N	521.690	6.811	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	6445839	IZYGMLSUEPIQQQ-RNBKDOAQSA-N	525.970	6.240	50	40	KKGB	
Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C(/C=C/c1ccc(N(C)C)cc1)=N\NC(=O)c1ccccc1	8653413	PMLZTTJCGDDWEM-WXRLNIHBSA-N	526.622	6.017	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Br)cc1F	8781207	JSAIPJDUQGJLFZ-LQNQUEJISA-N	520.402	5.382	50	40	KKGB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(/C=C(\C#N)C(=O)c3cc(C)n(C4CCCC4)c3C)c2C)c1	12560408	XNUGVYKXABYGAA-DHRITJCHSA-N	527.621	5.991	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC	13174421	MEYWUAHAWUQOKJ-SANMLTNESA-N	517.651	5.449	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(C)cc1	20065525	PRDLVHZSBBMANQ-VWLOTQADSA-N	508.043	5.754	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	59332833	LLKGYVBJSASRFJ-JWGURIENSA-N	520.402	5.423	50	40	KKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](Br)[C@@H](Br)c2ccccc2)cc1[C@H](Br)[C@H](Br)c1ccccc1	95100217	NTLCIZNKMMIJMN-ZDNVTZCJSA-N	691.996	8.647	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3cc(C)ccc3c2Cl)ccc1OC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C	97946973	MOLSOESMPDSCDE-WPCJSOALSA-N	565.906	7.132	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	100335601	JPGRJWRGDUFWKQ-DJKKODMXSA-N	607.275	7.348	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	100336192	YLXYDLGEOXZPPH-NVMNQCDNSA-N	546.248	7.198	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2C)cc1	101040556	OJJBMCDPXDCGHQ-HEQFHQOESA-N	522.457	6.675	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	102719162	GRGDEJKGXXLARY-MHZLTWQESA-N	563.054	6.194	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Br	102934517	HNVUFYREBNSLML-VZUCSPMQSA-N	529.572	5.718	50	40	KKGB	
C=CCSc1oc(-c2ccc(Cl)cc2Cl)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102947397	HIPMFOOUQZLHHG-UHFFFAOYSA-N	547.467	7.546	50	40	KKGB	
O=C(c1ccc(Cl)cc1Cl)N(/N=C/C=C\c1ccccc1)c1nnc(-c2ccccc2)c(-c2ccccc2)n1	104289984	BKCRTUKFUYESPB-MPVBFVBXSA-N	550.449	7.858	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Br)cc1	105227167	YHXGBUPUJAPDTI-SRZZPIQSSA-N	535.394	5.379	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	105410277	MVVPKSSIDRHOCU-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
CCN(CC)C(=O)C12C[C@H]3C[C@H](C1)CC(P(=O)(Cl)C14C[C@@H]5C[C@H](CC(C(=O)N(CC)CC)(C5)C1)C4)(C3)C2	105588845	SJTXNEPPGHDOAF-VIAJYSJXSA-N	551.152	6.918	50	40	KKGB	
Cc1ncc(CO)c(C2N(Cc3ccc(N(CCCl)CCCl)cc3)CCCN2Cc2ccc(N(CCCl)CCCl)cc2)c1O	150371936	AYIWUUUCDZYMIO-UHFFFAOYSA-N	683.552	6.563	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ncc(Cc4ccccc4Cl)s3)N(c3ccccc3)C2=O)cc1	150438861	BHEVQHVRBDDGQR-BPDFDMIXSA-N	629.163	6.629	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCC[C@H](I)CC(F)(F)F	169795320	JVCGYJHSVPVMOO-IUCAKERBSA-N	516.045	6.449	50	40	KKGB	
C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@@]5(C)CC=C[C@H]4O[C@H]3C[C@H]2O1	253870087	LYTCVQQGCSNFJU-RXUQWMQDSA-N	895.096	5.472	50	40	KKGB	in-vitro
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC	408539409	HFJQRDMZLVSNLS-RGXNXFOYSA-N	539.072	7.049	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OC)c(I)c2)c(C#N)c1C	408546029	CQFKGFMMKBPZCZ-WLRTZDKTSA-N	646.244	5.041	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c(C#N)c1C	408547153	SHFQFFGMYNEQGE-YBFXNURJSA-N	583.451	5.836	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(Br)cc1	408549634	WAJFUQOAIJMNCT-FMCGGJTJSA-N	504.811	7.907	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1	408552853	KYLGSPWRKITQJZ-WKIKZPBSSA-N	535.225	5.466	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1ccc(Cl)cc1Cl	408710900	VODKBMUWSQLSSL-XKJRVUDJSA-N	631.148	7.269	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(OCC)cc3)c2C)sc2c1CCCC2	408744060	WCJOOICAMKSPEL-LTGZKZEYSA-N	517.651	6.156	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c1	408745098	PIYDWNJRTVEJGH-IUXPMGMMSA-N	642.118	7.794	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408745829	PKYCRJFFLXRUJF-MFOYZWKCSA-N	517.796	6.789	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccccc3)cc2Br)ccc1I	408745917	AVFSWEXFAZJVKD-LGJNPRDNSA-N	595.231	5.414	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1	408754952	LWJGDDRPXOQZQW-XDJHFCHBSA-N	519.351	5.391	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2cccc(Cl)c2C)cc1	408772896	IWDIRXVHLTYRFV-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1ccc(Cl)cc1	408781793	DSDIOWRQNVWGIW-YSURURNPSA-N	525.628	5.742	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1ccccc1	408789601	KMCWLRHSMDMLAN-HYARGMPZSA-N	505.412	6.535	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793012	CREMYMUEJDVVQY-TWKHWXDSSA-N	510.593	7.543	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2c(C)ccc3ccccc23)c1	408808735	NCOAZJOFIYXFDE-ZTKZIYFRSA-N	554.646	7.861	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408817958	XDJGGPSJJJXWGJ-KWQVAVEISA-N	632.975	9.155	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCc1ccccc1	408824796	HTDDOSCEGITLQW-VXLYETTFSA-N	527.404	6.534	50	40	KKGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1	408837756	MYVYXGPLEKRRHH-VTNSRFBWSA-N	581.016	5.361	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5ccccc5C#N)c(Cl)c4)cc3)cs2)cc1	408838122	CFHUSIYCNUQDMK-KULFSUQXSA-N	612.542	8.384	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(C)cc1	408839226	OZKFHQDARRHQIC-ALQBTCKLSA-N	562.695	7.522	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1ccc(OC)cc1	408840656	ZRZRYLGKVXKVCT-HNSNBQBZSA-N	616.468	6.092	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408855529	NTQHPKSWHXCNGH-GKVNEZTPSA-N	578.112	8.156	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(C)cc2C)cc1	408862715	IOYDMLPLSZHNQZ-HPNXWYHWSA-N	591.733	6.690	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408869960	RKSCEXZZIHRCLY-GISVKQOSSA-N	596.920	5.538	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Cc1cc(C)cc(C)c1	408870816	XCZODQQFAQXXCE-NDZAJKAJSA-N	516.641	7.418	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Br)c1OCc1cccc2ccccc12	408871006	WXDWEJDUDMINHD-LQNQUEJISA-N	533.422	6.353	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1Cc1cc(C)cc(C)c1	408871751	ZVCSSPDKKBRBPB-SRZZPIQSSA-N	534.410	6.509	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccc(C)cc1	408872943	LPOIFVXQSJONSZ-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408883144	RQTYFUBUAGFIJJ-CIAFOILYSA-N	562.409	7.578	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408884456	ZILDZFJTUHIYSS-KKMKTNMSSA-N	515.473	5.767	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OCc1ccccc1C	408922651	FTCRACNGRRQRQV-VXLYETTFSA-N	604.726	7.615	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925649	SNCOKNZNMJMZSG-UDWIEESQSA-N	554.024	5.237	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(I)cc1	408963420	NWSUWCCTZOMAFJ-KPGMTVGESA-N	608.398	6.780	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408970717	CMSAWAHDDUBUEW-XSCROPPNSA-N	542.463	5.427	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1	408976281	AJMUNCOXNRKKNG-ODZASTSJSA-N	592.649	5.133	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Br)cc1	408995436	CRSKJHHLPXWAAZ-FDAWAROLSA-N	522.402	6.772	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409033580	FOWRRACSHMMLQO-KCSSXMTESA-N	539.060	7.550	50	40	KKGB	
CC(C)Oc1c(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-]	409042786	CQZUNSJQFCOPLM-RWPZCVJISA-N	533.382	6.124	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409090428	NELWQPSSDLLNEO-VGOFMYFVSA-N	631.295	5.362	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(I)c1OCc1cccc2ccccc12	409133338	SKTKIPGHHHJNSP-HSZRJFAPSA-N	564.383	5.282	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cccc([N+](=O)[O-])c1	409180656	XRIFBAUCHNWUGI-OPEKNORGSA-N	661.621	5.800	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(C)(=O)=O)cc1OC	409184202	FPFOZGSRDILGLA-VVEOGCPPSA-N	675.385	5.277	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)cc2c1	409186781	HTVYSVILFJLKAL-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
Cc1ccccc1NC(=O)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409187186	NDOFOJNYBWYDCY-MXAYSNPKSA-N	517.221	6.255	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1	409191560	ZBSJGSHFOYPMLS-XNTDXEJSSA-N	543.436	6.194	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	409210049	KOXDUCBIEJFILL-KBKYJPHKSA-N	524.813	6.376	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409252244	RLBCSJSUCXWZRD-WSDLNYQXSA-N	503.986	5.206	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409253825	GXRBEMDQNIOROZ-LICLKQGHSA-N	542.773	6.101	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)cc1Cl	409257448	OXEFYKLIMRFRLT-FXMZOFOKSA-N	525.219	6.390	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OCC	409304559	SAEUCSNCMOMOOG-CAQPMQTCSA-N	657.505	5.743	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc(F)cc1	409309315	FJVMTSQLAPGMKE-CAQPMQTCSA-N	514.553	5.765	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)ccc1OCc1ccccc1	409313594	CNCXMTUYKQBJGP-GXBUFBABSA-N	714.578	6.508	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccccc1	409320691	BYLPFXWJQSYZEY-MZFJOGFUSA-N	559.460	6.770	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)ccc1OC	409326095	GSXPKQWFDZELOU-VYYCAZPPSA-N	501.352	5.338	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409362722	JXRXZRZDZWXHFI-VPUKRXIYSA-N	618.686	6.401	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1	409368780	MCQOJPQSSJHTSI-BVMLUPFRSA-N	583.548	6.003	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386672	RCWQCJQIWGXDLA-LUOAPIJWSA-N	701.255	6.501	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409394830	GLTLNTJZDONVGP-UHFFFAOYSA-N	695.353	7.821	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(C)=O	409395043	JEXJWFFPWDTWLZ-UHFFFAOYSA-N	654.517	7.131	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3Cl)c2c1	409395966	UPKGMXMSVRGWFL-UHFFFAOYSA-N	628.081	6.896	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409396493	YSUHXMCFROBMEO-UHFFFAOYSA-N	734.659	9.612	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc4c(c3)OCO4)o2)cc1	409401038	GCKVNNWVHGAMHQ-NKHVPTTDSA-N	687.503	7.008	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCC(=O)Nc4ccc(Cl)cc4)ccc4ccccc34)o2)cc1	409405403	TYFWCFURNOYKPW-XFDYYPNTSA-N	647.131	7.854	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1Br	409406449	WUICLDHGRIWZBF-RODHXAHZSA-N	752.416	8.051	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4cccc(C(=O)O)c4)o3)o2)cc1	409406710	CEYBWJBBJIYLKY-LJUMEUDFSA-N	523.545	5.988	50	40	KKGB	
O=C(N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	1857795229	WVVZDTNGVRESKN-JGCGQSQUSA-N	621.561	8.995	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	2210499	CWEGBPGOJGOAJS-MHZLTWQESA-N	534.125	7.120	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1	2244519	JTJWCCRGXXZMTF-HVBJHMBASA-N	508.430	6.367	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)sc(C(=O)OC)c1C	2245428	ZSFZGVCWDULQSV-LCYFTJDESA-N	522.435	6.427	50	40	KKGB	
CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1OCC	2309828	OPYGTMMRIQONFH-DNQXCXABSA-N	521.639	5.351	50	40	KKGB	
O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccc(Cl)cc1Cl	9216408	SLYZDDZQNNHDDL-SDKVIJGTSA-N	513.428	7.113	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	9271836	IQHGNILEXDUJCZ-NJZRLIGZSA-N	527.694	6.181	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	59297422	XHMQFXIJEKTPOY-MHWRWJLKSA-N	512.305	5.675	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	97965462	IXKVOFUFAXLHQU-ORBVJSQLSA-N	624.089	7.256	50	40	KKGB	
CCN(CC)P1(N(CC)CC)=N[P@](N)(N(CC)CC)=N[P@@](N=P(Cl)(Cl)Cl)(N(CC)CC)=N1	97976790	GJBMUCBPZCAGHW-FIRIVFDPSA-N	590.830	8.827	50	40	KKGB	
COc1ccc(/C=C(/C#N)C(=O)N(CCCN2C(=O)c3cccc4cccc(c34)C2=O)c2ccc(C)cc2C)cc1	97983655	RNQDAQHBIPUPOS-QOMWVZHYSA-N	543.623	6.092	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(Cl)cc2C)cc1	100122580	VQUCSGDJNDUPLV-VTNSRFBWSA-N	627.992	6.472	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	100129473	VTEXEYYBTZCBNF-LJUMEUDFSA-N	569.514	5.742	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCC(=O)c1ccc(Cl)cc1	100931879	UXEZNBRCTDQDSJ-JMIUGGIZSA-N	530.989	6.527	50	40	KKGB	
Cc1cc(O[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)nc(S[C@@H](NC(=O)C(C)(C)C)C(Cl)Cl)n1	101164240	BWSZVTLKOKGQJQ-DOMZBBRYSA-N	568.782	5.407	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	102808715	MIBZPRXPIQLZFY-SANMLTNESA-N	533.028	6.186	50	40	KKGB	
Cc1ccc(C)c(-n2c(COc3ccc(Cl)cc3Cl)nnc2SCC(=O)NNC(=O)c2cccs2)c1	103092951	MAXIICURTSDZLC-UHFFFAOYSA-N	562.504	5.385	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	103887437	VYKVMMKNWRCNPO-GRSHGNNSSA-N	525.786	6.234	50	40	KKGB	
Cc1ccccc1N[P@@]1(Cl)=NP(Cl)(Cl)=N[P@@](Cl)(Nc2ccccc2C)=NP(Cl)(Cl)=N1	104382660	POIAHBMXHOBOFD-RNPORBBMSA-N	604.938	12.059	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4cccc5ccccc45)C(=O)[C@H]23)cc1	112254689	MVVJESAHXZSFRN-VWHDHYMVSA-N	591.667	5.744	50	40	KKGB	
C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341139	AUPRYSZNFPRCHI-GSVOUGTGSA-N	638.046	7.845	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	150364501	QINMRLHZFNCLCC-RAWMCFOBSA-N	634.193	6.339	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc4ccccc34)o2)Cc2ccc(Cl)cc2Cl)cc1	150386708	JQDGHIUWFYNFQE-AEUUOICLSA-N	649.556	6.528	50	40	KKGB	
CCCCOB(OCCCC)[C@H](Cl)C[C@H](CC(Cl)(Cl)Cl)B(OCCCC)OCCCC	195753587	NMAUTCHFJDKODI-WOJBJXKFSA-N	521.999	7.897	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCCc3ccccc31)[C@H]2Br	226558425	DRBPTROIDJXVOM-JVPBZIDWSA-N	520.103	5.652	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccccc3C(F)(F)F)cc2OC)ccc1OCc1ccccc1	408540845	WKQQWYQTHJUOPN-WBIBEUCMSA-N	578.587	7.035	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1ccc(C(=O)O)cc1	408543167	PUUDXQFDKGEEQK-NVMNQCDNSA-N	550.179	6.939	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)c(C(=O)OCC)c1C	408547599	ZUDXPDLOYKOWPA-KGENOOAVSA-N	558.631	6.271	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc2ccccc2c1	408548333	GMRWKJNILSOKPX-NKVSQWTQSA-N	543.675	9.206	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408550321	FXYCJXKCLZEMGT-OYKKKHCWSA-N	529.390	7.552	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccccc1	408550697	JDJZZLULNQBEOV-QFEZKATASA-N	531.393	7.486	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1Br)Nc1ccc(Cl)c(Cl)c1	408554608	SCFXKVKHXBALTJ-CPDSRJINSA-N	571.258	6.691	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408566317	FTUHSEZJPDXPEO-CHHVJCJISA-N	517.185	7.414	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408579241	FGBISJQZGMTISC-XDHOZWIPSA-N	532.843	6.642	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1	408580066	MVOACDPCLXSXHI-LZYBPNLTSA-N	570.641	7.903	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl	408580236	NFDQDCRWHDKOSK-RIYZIHGNSA-N	588.104	7.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)Nc1ccccc1	408580648	QHCRCFXJSSJBFC-LICLKQGHSA-N	546.248	7.236	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1OCc1c(Cl)cccc1Cl	408606918	BCFFLMOVMCRTTJ-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408611066	PSZPNZQQTZISJW-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1)C(=O)Nc1ccccc1F	408612014	TXHFQUQHSSRERV-LUOAPIJWSA-N	522.733	5.049	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2Br)cc1	408676336	HNRFNXJHMFFTMJ-MUFRIFMGSA-N	571.313	6.463	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1cccc2ccccc12	408746353	SACNXMSRFKMKFC-BKUYFWCQSA-N	547.836	7.389	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408748064	XVZBMIBWSFLQGS-SXGWCWSVSA-N	581.091	7.643	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1C	408787593	CJHKNHYHNNCWLB-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1ccc(Br)cc1	408791589	ZDLOMTAQEHHTSB-GZTJUZNOSA-N	638.097	6.941	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1I	408794813	TTYAGWOFOPSLAH-OQLLNIDSSA-N	523.168	5.473	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(C)c3)c(OCC)c2)cc1	408796553	PGHASRPAOXNMBT-HYARGMPZSA-N	582.438	6.522	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408803393	OIIJNEGHAZPTOA-TURZUDJPSA-N	559.065	8.505	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c(OC)cc1Cl	408828508	MRABIARFTSYWIT-RQZCQDPDSA-N	501.341	6.274	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1cccc(C)c1	408834803	MALGXVBQTIGUCB-WGOQTCKBSA-N	723.405	8.465	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Br	408835792	ZHIAVGVNBZICTI-OVVQPSECSA-N	637.961	9.268	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408840765	ZZMUILBBOAITAJ-NOPDUFPGSA-N	802.353	10.183	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc(F)c1	408844042	BOLLSWXFXFXVBR-DBFSUHOCSA-N	545.792	6.729	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccccc2)cc1	408861946	FIEZIICEIOVFRL-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	408863941	REIYLAHYISNMNT-ZOQFXHERSA-N	521.642	5.804	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1OC	408864159	SQOFEUZYJMGTFL-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408864183	SWCCQKSARIHBOB-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408865236	BXBSJASTIYKRES-BCHBDCPOSA-N	587.095	6.870	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408868245	OTZGQKGHHMRSPY-LICLKQGHSA-N	519.292	6.732	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408872964	PYESCJRVXUJJLG-RQZCQDPDSA-N	623.325	6.351	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(Br)cc2)cc1	408875821	LKMUBHIPUYCSEX-KPGMTVGESA-N	648.410	6.817	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408878544	AJUVJWHBWLXOSV-GIJQJNRQSA-N	567.352	5.707	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c([N+](=O)[O-])c1	408878602	CEVQFKFTQALVHA-RQZCQDPDSA-N	605.670	7.206	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccccc1	408882733	QLNJXQOXYALIKB-LFIBNONCSA-N	503.363	5.315	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl	408883772	UUYUUMGRUMECMQ-RVDMUPIBSA-N	518.334	5.215	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	408883850	WYFRGJCCCZPRNM-SFQUDFHCSA-N	531.815	5.724	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OC(=O)c1ccccc1	408899229	OFWNCXLCUQXETJ-GZTJUZNOSA-N	556.210	5.985	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c(OC)c1	408948177	CFVXBSKKKYJXEZ-WHNQQBDFSA-N	780.470	6.673	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408963237	BBFWLHDUIOUQEP-DHRITJCHSA-N	541.301	5.289	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cccc(C(F)(F)F)c1	408963342	NHKVYOULCRWCFH-VPUKRXIYSA-N	668.166	6.397	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c(F)c1	408967382	QEZNSNIYIFJHCG-FJEPWZHXSA-N	502.343	5.956	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc(F)cc1	408992674	UPKCUYGGCGIUDE-HZHRSRAPSA-N	504.989	7.039	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1cccc(Cl)c1	409032193	LKUOLHRNFPJUFA-KVAAJVFYSA-N	647.982	8.321	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-]	409035641	JVBLPUACFWFXHU-LQKURTRISA-N	531.366	5.901	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccccc1F	409046554	RNPWJHKSLCGCJV-HQDYHJHZSA-N	539.994	7.046	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409052891	BFHOBPHLKRXJCJ-CIAFOILYSA-N	503.986	5.837	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)OCO3	409096390	KFFGJTIOZJJAOK-QFIPXVFZSA-N	574.200	5.877	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c2ccc(F)cc2)cc1OC	409113086	DMQDWOWPFSXZTF-FABQOPTDSA-N	686.556	5.539	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2)C2=C1CC(C)(C)CC2=O	409128045	DNRLGPDURCVBSK-VWLOTQADSA-N	554.460	5.550	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccc(Cl)cc1	409143169	ZIWWMWUOLGAZJU-QHCPKHFHSA-N	574.802	5.846	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1	409184367	GHSDQJSZEFLAMZ-HZQMBONKSA-N	684.214	7.486	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1C#N	409189975	OTIIQNHAISKPKS-CCVNUDIWSA-N	559.791	5.558	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2cccc(C(F)(F)F)c2)cc1	409217375	BVHGUKGVJPWVJM-BVMLUPFRSA-N	556.497	5.581	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	409217759	BFOZUERUHCCNDI-QMRORBIVSA-N	652.487	6.263	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409222131	BLUXTLRDICRMSW-UHFFFAOYSA-N	552.370	5.830	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccccc1	409224602	KWGXFWBQBQCXMZ-UHFFFAOYSA-N	557.990	5.593	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c2)c1	409226942	YAIUWNLLECVIQL-UHFFFAOYSA-N	511.965	5.884	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409256581	MDHZZTCAALUCQU-AEUUOICLSA-N	626.138	7.306	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409272511	QTMOIFZYKNIXDD-PDGQHHTCSA-N	540.403	5.964	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3CC)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409310573	VVMFLFHUZMUNDS-FGZHOGPDSA-N	576.502	5.373	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OC	409310923	DDTDNVOSTTXVCU-MWLSYYOVSA-N	631.423	5.514	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1OCC	409311894	CMWUBDKGAAVRHS-MNDYBZJGSA-N	632.305	6.216	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)ccc1OC	409321044	RLBLLGHBUUZTOP-ACXHZZMFSA-N	523.416	6.897	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl	409323441	NXKSPDJVVJUOFX-JAIQZWGSSA-N	539.256	8.561	50	40	KKGB	
CCCOc1cc(Br)c(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409346514	ORZQXGJKICIQIO-MWLSYYOVSA-N	565.493	6.878	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409371205	DWDLUHIHEVJNQL-MNBJERMJSA-N	555.660	5.888	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OCc1cccc2ccccc12	409373199	SFMPSQRZSFUOGH-HAHDFKILSA-N	517.366	7.096	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1ccc(OC)cc1	409376107	UOEPPPUSJYCSJT-IPHFVPNQSA-N	597.668	5.853	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)cc1	409387239	ORZCBEANRNWCPZ-BOPFTXTBSA-N	526.376	5.574	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409394570	CHONCANACJFWLK-UHFFFAOYSA-N	733.187	8.492	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)c1	409394686	DQLFQWBMBBEKIV-UHFFFAOYSA-N	570.418	7.028	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409397591	LOOBFOJUZKWHCA-UHFFFAOYSA-N	695.353	7.821	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409398529	UHELHHHADNPAMC-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Br)cc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409398536	UHTLBAXJCNZLPA-UHFFFAOYSA-N	690.934	7.176	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12	1529547899	RILBFUFIIWSVTR-BNWCFHQTSA-N	616.143	5.228	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12	1529548525	IEKCBUUOAQJWIZ-VYSXRSOESA-N	660.594	5.337	50	40	KKGB	
COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1	1821089	WILQGSKEXVNXRF-QTVPBASASA-N	506.678	5.900	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1c(O)ccc2ccccc12	2324976	SHLPPAIGRDSLCC-MUFRIFMGSA-N	520.058	6.205	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	2670870	JCKKNPSMQMFFFP-LFIBNONCSA-N	525.373	6.755	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)[C@@H](O)c1ccc(Br)cc1	3167644	VRGAHYHCZYDMBX-UXPWFEKTSA-N	568.265	6.128	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	8403108	PQWOITUVRYSKMY-CXCRPJBGSA-N	569.455	6.133	50	40	KKGB	
CC[C@@H](c1ccc(OC(C)=O)cc1)[C@@H](CC)c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1	8453691	UTYWUJACSUMZTA-CONSDPRKSA-N	570.557	7.731	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1	12273813	DVHFPFQATOWSPO-IDJUBOEBSA-N	502.039	6.330	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1C	20243762	AEQXDOBIORQCDF-WCNLIYRBSA-N	518.908	6.758	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1ccc(Cl)cc1Cl	30843665	PJJXNNKQOYDNPF-QDTIIGTASA-N	501.366	5.367	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1	59335686	BJGZCKSWSMPYPY-HMAPJEAMSA-N	505.387	6.750	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc2ccccc12	59336488	FOIKEKYGYYWTPA-ULJHMMPZSA-N	513.424	8.000	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(C)cc1	59336524	XKAOYJNAPIDBFG-HMAPJEAMSA-N	507.417	7.164	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1	59427681	KESIILSXSJQBIO-RUMWWMSVSA-N	516.557	6.492	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1O	97960454	WXSNHKKHQZNNRK-NSKAYECMSA-N	573.068	6.567	50	40	KKGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CCn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)ccc21	97964882	JBPOLONIBTYZTR-FADJLKOXSA-N	547.655	6.850	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1	97981207	FIWLYZZUNWYWHN-FMFFXOCNSA-N	568.045	6.163	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C(C#N)[C@H]2c2ccco2)cc1	98048605	PKIGTNSGEDGNBZ-MHZLTWQESA-N	547.080	6.510	50	40	KKGB	
OCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100045495	FPLJNGUIASXYLD-YFKPBYRVSA-N	532.078	5.691	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1	100065148	PPSFQHMWHOZOHY-STBIYBPSSA-N	523.964	5.403	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1cccc2ccccc12	100858333	WMQLFIQJJVANLW-FDAWAROLSA-N	546.483	7.027	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1cc(Cl)ccc1Cl)=C(C#N)[C@@H]2c1ccc(Cl)cc1	102087245	SWQOQSGPZHYZSC-QHCPKHFHSA-N	546.907	7.084	50	40	KKGB	
CC/C(=N\NC(=O)COc1c(Br)cc(Br)cc1Br)c1ccc(-c2ccccc2)cc1	102441647	OTUOFTWRYLXBLR-SZXQPVLSSA-N	595.129	6.950	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)N=C3CCCC(O)=C32)ccc1O	102580807	MVYKIPZVRFKMMY-HSZRJFAPSA-N	540.439	5.805	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	102808101	UCQOTWFOVLKGHS-XMMPIXPASA-N	617.447	6.767	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1	103741336	UGWJYIFRDDCDFS-OGCOBRASSA-N	556.009	6.144	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1F	103883453	RDXWNKZILNNIOD-JCMHNJIXSA-N	550.428	5.432	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	103899733	CPEZYSVGLAUHQK-KCSSXMTESA-N	611.507	5.357	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccc(-c2csc(Cc3ccccc3)n2)cc1	104076025	PJCAGBHZYGRRMA-DXJNIWACSA-N	508.518	7.744	50	40	KKGB	
CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341206	XOFSFFVGRDBXGS-RXMQYKEDSA-N	616.093	7.990	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	162395732	GHKWMBPEDVWVJC-OEPDXVHDSA-N	673.113	5.708	50	40	KKGB	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O[Si](C)(O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C	263596783	GAXCSAJQPMKJSH-SIEAKSGGSA-N	905.390	13.306	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408532023	PKKMFINLHGESKB-QFDQHJFZSA-N	664.114	7.134	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)cc2)c(C#N)c1C	408545978	BCHWELNGKDPGOW-SRZZPIQSSA-N	563.473	6.474	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)c1ccc2ccccc2c1	408548102	DKMGPRDCXXKLPU-MYKKPKGFSA-N	544.246	7.880	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccccc1Cl	408567319	LMDZKZZADGPCBV-OKCVXOCRSA-N	590.889	6.523	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(I)cc1	408569892	QWINQYKFIBRODM-PXNMLYILSA-N	559.766	6.612	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(I)cc1	408570678	XNYGOSQFXVFBKH-MUFRIFMGSA-N	634.561	6.277	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408664126	YUOYMMNGELUKFY-OWLNSBLESA-N	657.186	5.790	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCc1ccccc1Cl	408710872	SEWZSBRHGXDHOQ-RPPGKUMJSA-N	538.744	5.435	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1	408732005	NZTZABKZOJJFSG-HWIUFGAZSA-N	534.457	7.646	50	40	KKGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408736538	CGYIDDGJTPDAML-ABFODGPCSA-N	670.402	6.716	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1C#N	408744834	HRXBPRSTSCSUCB-GRSHGNNSSA-N	522.786	6.107	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1	408744864	HVNJCGXWGYOIHZ-JAIQZWGSSA-N	551.393	5.679	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408744917	IFGOLIJEHHAYQV-PXNMLYILSA-N	566.666	7.543	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)c1	408788906	GJRTXVSSXOWLAK-XDHOZWIPSA-N	526.228	6.645	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccccc1F	408794183	IGICVXWYHFZEEF-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1cccc2ccccc12	408795615	MHTIEFXHDADERD-CIAFOILYSA-N	503.385	7.280	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(F)cc1	408798088	UTLFTFCWWQFZSR-VXLYETTFSA-N	543.820	7.073	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1C	408806455	AVDWJNAXFBJKLG-QJOMJCCJSA-N	569.130	7.794	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408813375	MZHYZYUHXICOJZ-DEDYPNTBSA-N	505.914	5.550	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1c(C)ccc2ccccc12	408814195	OGFKONSIQSRLLI-BUVRLJJBSA-N	602.472	7.585	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Br)c2)cc1	408814449	PFXOILSOIOLINO-LFVJCYFKSA-N	525.446	7.598	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1	408818951	ZCNJKVNXOVMZGP-RQZCQDPDSA-N	546.646	6.990	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)n1	408820445	XTXIVDFCCSBVDE-GIJQJNRQSA-N	515.205	5.851	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408824863	BIYRQQKOAHOVDF-FDALDRLYSA-N	732.657	5.489	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c2ccc(C)cc2)cc1OC	408827393	JCDVNLJDNFEVLL-KULFSUQXSA-N	751.483	7.015	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	408829944	QNHROMUNEYMVQW-OCSSWDANSA-N	583.483	5.341	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408838530	FXEGWJWLUJOKLV-QNVXDBMFSA-N	738.991	7.861	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408842283	JYIYYURGEQKTAB-VPUKRXIYSA-N	539.366	7.165	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC	408844525	UBFLIZUWFAEUOQ-KVSWJAHQSA-N	524.952	5.825	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1cccc(Cl)c1	408847463	MZUXVUQMBNJZEZ-VCHYOVAHSA-N	529.793	6.765	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1	408852423	KSZYXZSQADMWAU-IPHFVPNQSA-N	578.510	7.867	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc2ccccc2o1	408852870	NSZPGVRRWUYYDY-MNDYBZJGSA-N	625.260	7.296	50	40	KKGB	
COc1cc(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1O	408855606	DYRKDSADADXBQD-NTFVMDSBSA-N	504.384	5.693	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408865831	FYAIURFJRVKJJC-XICOUIIWSA-N	594.615	5.693	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OS(=O)(=O)c1ccccc1	408882112	PYEWGSQEKRQXGV-XSFVSMFZSA-N	518.978	5.815	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccccc1Cl	408904225	GSPTUBQEPDFANZ-PPDIBHTLSA-N	514.321	5.999	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408911382	NCPUGXRDBJATDY-QLQYKETESA-N	589.519	7.086	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1	408953299	XJQIYZWCLKHJSY-HHHXNRCGSA-N	716.998	5.475	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1	408961796	FDXKHAYPVZSGBE-IBBHUPRXSA-N	527.340	6.964	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1Cl	408971644	KSESPZPBDSDDLD-IZOYBOFUSA-N	518.828	5.292	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccccc2)cc1	408981212	VGVGBLAXJLFOPY-NQFKHPPRSA-N	572.643	5.042	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(SCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1Cl	408991659	OUOZZKQWOXXSPZ-WOJGMQOQSA-N	506.971	5.833	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409016074	UJVGDYARNZXCBI-NNLKUIAGSA-N	587.720	7.098	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	409034549	HVRSYXXXGZOAMP-NNLKUIAGSA-N	585.107	8.306	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)c1C	409044571	VZDIVDAREXTHCX-QGMBQPNBSA-N	520.243	8.042	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409047786	PLOVHHOKOXVYQC-LZYBPNLTSA-N	581.091	7.643	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccc(Cl)cc1Cl	409049964	ZAMDHDFMTIWMRH-RPPGKUMJSA-N	504.326	5.349	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1cccc(Cl)c1	409055654	JRIINZPWZYVJCM-XODNFHPESA-N	536.253	6.806	50	40	KKGB	
O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1cc2cc(Br)cc(I)c2o1	409074385	QNGUTXXFPXEQIL-BHGWPJFGSA-N	556.173	5.303	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCc1cccc(Cl)c1	409075954	ZIGQXDUKNMXHFZ-MFKUBSTISA-N	501.026	7.209	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)c(Br)cc1OCc1cccc2ccccc12	409087215	BEIHORBXADVOTN-KPGMTVGESA-N	546.465	6.369	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1cccc(Cl)c1	409104108	DPBNYPHBZOGZNI-XMMPIXPASA-N	555.812	6.027	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	409119404	PGSSWYSWRLMQJQ-RWPZCVJISA-N	518.466	5.205	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C)c(OCC)c2)cc1	409162785	HTCOSOVUYWIUDS-KBVAKVRCSA-N	611.493	5.051	50	40	KKGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	409183417	CGCOEATZWADNOI-KEIPNQJHSA-N	584.097	6.418	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409210882	LXBDEYZDNHWYLH-UVHMKAGCSA-N	534.421	6.122	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409219614	SGHNCRRVONJJJN-SGZZPSNZSA-N	591.973	6.994	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	409224980	NTGSNOWRZXQJTP-ADTVGRDBSA-N	548.983	5.616	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccco2)c1	409226768	WRZCATQGIKQJEC-UHFFFAOYSA-N	601.240	6.584	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(Cl)cc5)(c5ccccc54)[C@H]3C2=O)cc1	409227228	UMFPQVVXYJWKHZ-SMUUJSCJSA-N	546.026	5.615	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409242456	NRAPWJZKNZNMCO-HAHDFKILSA-N	609.464	5.282	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409254160	CWPBXPAMLINPEO-JAIQZWGSSA-N	593.434	5.936	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccccc1Cl	409255569	MCXPXPFFHUJHQR-DLCNMLRHSA-N	616.530	7.642	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409260536	RSAMFSXGJMVEET-MUXKCCDJSA-N	500.382	5.482	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)c(OCC)c3)CC2=O)cc1	409270715	HKFDJKFBCRSTJX-UFFVZDAASA-N	536.028	5.220	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)ccc1OC	409311588	BAQCLFDPTVKUCH-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409320210	POHJUSCNQKCDPC-NUJZUDFISA-N	533.459	5.586	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)ccc1OC	409320935	DMRDJGVPBGIJFI-LJUMEUDFSA-N	610.448	6.203	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1OCC	409327371	SQOQVOFHZBMUPJ-YKQZZPSBSA-N	553.453	6.154	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	409357604	ALNFJOSXEZHLPR-WKIKZPBSSA-N	506.227	6.336	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	409359739	BUZKIJKBRRHRDX-DBFSUHOCSA-N	597.280	6.495	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409380651	PBBJNWOHGOFTJO-RQRWGXNHSA-N	735.060	8.158	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409382736	OGFASYVOIRLVTA-LDADJPATSA-N	523.948	5.450	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c(O)c1	409393646	YQZGYCYPECCSKH-YPXUMCKCSA-N	697.094	6.260	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc(OC)c1OC	409395924	UBADRGMUZQHYSX-UHFFFAOYSA-N	567.573	5.983	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396108	ASMXBCIISWMVTA-UHFFFAOYSA-N	640.445	8.542	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)cc1OCC	409396954	DHZLHDNRYVTDPI-UHFFFAOYSA-N	650.946	8.576	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397339	IVQJUVFKKYVUJY-UHFFFAOYSA-N	661.896	7.541	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409397735	NILZPNCIZMTQHL-UHFFFAOYSA-N	606.437	7.281	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1C#N	409403755	NRVGOACRYHBEKE-UHFFFAOYSA-N	653.533	7.252	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1	1790600	QHDXEQMIJOEQPL-YDYXIROLSA-N	508.430	6.367	50	40	KKGB	
N#C/C(=C/Nc1ccc(Br)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	1805401	CHJPZTWVZLTXKK-RAXLEYEMSA-N	529.213	6.418	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)n2)cc1	2082678	PJMULWTXPXIROZ-IBBHUPRXSA-N	534.567	5.998	50	40	KKGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl	2312152	NNRWDCFGNCIZII-PMACEKPBSA-N	504.395	5.252	50	40	KKGB	
O=C(CCS)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(OP(=O)(O)O)c5ccccc65)cc4c3)cc2c1	3993267	PWGCKOQNKYABMN-HXUWFJFHSA-N	718.128	6.767	50	40	KKGB	
COc1cc([C@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)ccc1OCc1ccccc1	9693592	FWAIKATVBSCCDB-OAQYLSRUSA-N	501.583	5.633	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	59292134	QBGRYKPBHCURJW-YBFXNURJSA-N	515.329	6.901	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	59856067	NPNHVLMMMKFVIG-DPNNOFEESA-N	612.535	6.235	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1	59857077	ZYCIJRYKFXVGAQ-UZWMFBFFSA-N	537.641	5.656	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@@]4(Br)C[C@@H](OC(=O)C[C@@H](C)CC)CC[C@]4(C)[C@H]3CC[C@]12C	70692314	VKBCMZKYIQGGGT-WWLVODANSA-N	644.617	10.635	50	40	KKGB	biogenic
OC(C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	97957386	NBCWIPCTIOAIKH-VKHMYHEASA-N	554.031	5.894	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	100243955	KTTHOEYNIWNNSS-WKULSOCRSA-N	539.963	5.103	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	100314961	ZECXZCYHWRBFJH-QGOAFFKASA-N	527.396	5.080	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1	100988021	QPKLDFXUOKSIBW-KFRXSKPZSA-N	532.065	5.442	50	40	KKGB	
O=C(Nc1ccccc1)c1nc(-c2ccccc2)sc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	104407051	AQIIAJGGBYOQAG-UHFFFAOYSA-O	541.636	6.682	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)c(C(=O)OCC)c1C	105242501	GZDYUHXFLPAPRB-FYJGNVAPSA-N	626.525	6.479	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	136332838	OTYYNUFSOKMWBT-PMERELPUSA-N	570.114	7.028	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795442	OCDIKSYADVULCB-IAGOWNOFSA-N	728.275	10.840	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795468	XURRLFNBZPIMAL-KDURUIRLSA-N	756.329	11.621	50	40	KKGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(/C=N/NC(=O)COc6cc(C)cc(C)c6)c5c4O)c(O)c23)c1	222343969	IXACHBRYYIOMAY-JVYYRCASSA-N	871.000	9.049	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)CCCCC)CC[C@]4(C)[C@H]3CC[C@]12C	253499645	LUCINILKTDTAAV-HDFJYEFXSA-N	549.349	11.132	50	40	KKGB	biogenic
O=C(COc1ccccc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408528026	QIRGYLATHPDRRI-DHRITJCHSA-N	518.205	5.320	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC	408539157	UIPCBIAWRQJMHH-XMHGGMMESA-N	501.421	6.361	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccc(Br)cc1	408541119	DVAHDTPVDPPQCY-NVMNQCDNSA-N	586.236	6.043	50	40	KKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1	408545372	YIIUEUAJUSEFFT-MOSHPQCFSA-N	517.368	6.969	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1Oc1ccc([N+](=O)[O-])cn1	408553838	PVJNNMUQEFRDLZ-MHWRWJLKSA-N	501.524	5.148	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554059	YRRVMBYLBLYZHU-MHWRWJLKSA-N	512.349	5.271	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408567946	QTNGMRCJCHGMAQ-MUFRIFMGSA-N	507.815	6.528	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1[N+](=O)[O-]	408598470	BBQADGZEVWSOEI-OPEKNORGSA-N	612.072	6.225	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCc1c(Cl)cccc1Cl	408613317	YYBQHPFCLPXQBJ-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408644102	GVTFMRUBAPNNMA-ITXIHOPLSA-N	720.823	5.639	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccco2)cc1	408648287	JYDKTKUKMRUWQW-LDPLSIHXSA-N	739.200	5.824	50	40	KKGB	
O=C(N/N=C\c1cccc(Br)c1)c1ccc(-c2ccc(C(=O)N/N=C\c3cccc(Br)c3)cc2)cc1	408721360	QBVCTPCAZMSWNG-KUUUIRGPSA-N	604.302	6.406	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408735030	MLBUOKJIOVKMTI-VCHYOVAHSA-N	501.797	7.170	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747748	SKAOLFLJLAMOGQ-SXGWCWSVSA-N	625.542	7.752	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408748510	DGTACDCGHMBXMH-OPEKNORGSA-N	603.234	5.204	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408754506	KOSVFDFJIMHXAJ-AMVVHIIESA-N	647.161	7.479	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(I)cc1	408757469	XGYLRYUHQZSVQI-LGMDPLHJSA-N	602.226	5.617	50	40	KKGB	
N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(Br)cc1	408772924	OAJAZIWBTNETEE-SDXDJHTJSA-N	536.882	7.395	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408778637	JEDOUKGIWHGPQS-CHHVJCJISA-N	651.080	5.669	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408780417	YAMGXLAOQKDTJG-VFLNYLIXSA-N	544.382	5.666	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	408788333	CFWWCGDESRDVTO-LZYBPNLTSA-N	566.666	7.543	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789508	JSROWMIHQRYWIT-OEAKJJBVSA-N	563.868	8.350	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408790500	PQZNZMKBPHMHGL-MFKUBSTISA-N	555.428	6.904	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795843	MTLWXWPLGGZXOY-CXUHLZMHSA-N	583.640	7.376	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408798957	XSSXXLJKRBOMCJ-LZYBPNLTSA-N	513.293	5.934	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408809093	HVGRJHJSJVQJJN-JMIUGGIZSA-N	647.263	5.563	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408821822	KLVAQVUFJWXXQV-NDENLUEZSA-N	522.355	5.168	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408822446	BVRMSGFAGWEMGC-BUVRLJJBSA-N	618.473	8.004	50	40	KKGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1	408825721	FRDGSDCFVKEAEZ-LCYFTJDESA-N	517.756	5.040	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OC(C)C	408833104	SWMBZRKRNFQRLP-PXLXIMEGSA-N	535.438	6.760	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1	408833427	KDKZUHFCXHIHFK-NNLKUIAGSA-N	735.284	5.982	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cn(Cc5ccc(Br)cc5)c5ccccc45)cc3)cs2)cc1	408844029	OHUNIVHNUGRGLQ-MWBNBJEGSA-N	620.576	8.392	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)cc1	408844591	IADCQIZVSVEBDE-WBIBEUCMSA-N	724.824	8.816	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl	408844764	FGDZLBNDVPSPDK-NHDPSOOVSA-N	613.339	7.481	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(I)cc1	408845530	KHGHLPVUPAACTQ-WKIKZPBSSA-N	605.226	6.151	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408860887	HHWRDUNQHWVJCC-FMFFXOCNSA-N	608.116	5.672	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc(Br)c1OCc1ccccc1Cl	408864382	ZNUKVVBDXKGQCX-FDALDRLYSA-N	662.028	6.772	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1Cc1cccc(F)c1	408871197	YBUVWPVPNHNRKQ-YBFXNURJSA-N	509.375	6.132	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2Br)cc1	408924259	MIQFOYWLOAKRMI-JVWAILMASA-N	539.407	5.143	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2Cl)c(OC)c1	408951249	IDXWAYTYQOEZBM-VOSMKULASA-N	764.855	6.173	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c(OC)c1	408956329	QOQHCWWMARUHCE-FXOQEBJASA-N	651.116	5.046	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	408969652	RPIXNOXTFHDZPK-DMZCOLJASA-N	584.503	6.945	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408972322	RLSGQQULXBDHSX-RIYCHKFSSA-N	544.479	5.994	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)[C@H](COCc4ccccc4)NC(=O)OC(C)(C)C)cc3[N+](=O)[O-])sc2c1	408989035	GPHYNUGEIAYMFD-VJLPIKFPSA-N	651.767	6.315	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(C(=O)O)cc4)c(I)c3)[nH]c2cc1C	408993739	FKPOQBWWJLCIGB-OCKHKDLRSA-N	675.264	6.730	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(Sc4ccc(Cl)cc4)s3)oc12	409016384	SAHLETLKZDRZAB-BHGWPJFGSA-N	521.845	6.834	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409026705	VQCIXJFEQOTNFT-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)cc1	409059178	UVXXVPRADUKSSM-LPYMAVHISA-N	620.297	7.276	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409118591	ROIOBHWACTZQSR-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409119244	RSTGKAYGIGXMFI-WEMUVCOSSA-N	540.645	5.226	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccccc1Cl	409150906	DXFORXGBVKERBC-VPUKRXIYSA-N	675.694	5.366	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(C)cc2C)cc1	409183646	CSULLPTZLANZAP-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4F)c(OC)c3)cc2c1	409185005	PDHJCEKAWUNPQN-NUJZUDFISA-N	588.373	5.927	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccccc2Cl)cc1	409185252	UYOVJFANKKAJKI-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409226860	XLGHYFUGZBPDTG-GMHDFWHYSA-N	749.765	8.519	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccccc1Cl	409240760	HSOSMRHYIVKYLL-KBKYJPHKSA-N	596.878	5.181	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1ccccc1Cl	409242209	VNPGAPPUKVZBNM-KBKYJPHKSA-N	549.878	5.339	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	409246593	JGZKUGJRXBGSGZ-SOSVVEOHSA-N	510.037	7.111	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1	409258512	XWWIBALIPMMLPM-BKUYFWCQSA-N	517.969	5.307	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)c2cccc3ccccc23)cc1OC	409317392	QFNOVTBQNBOGQM-WQRHYEAKSA-N	513.331	5.459	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2F)ccc1OC	409321440	HPMSRTYSQXVYTA-VYYCAZPPSA-N	501.352	5.338	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1OCC	409325181	XKHLWWZQDSAKAP-OHUYPAJKSA-N	551.470	7.677	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409366181	YPYQFJOHHLCIKG-UNOMPAQXSA-N	599.400	5.701	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1ccccc1F	409372162	FQZKHZAUVAPZLD-WCMJOSRZSA-N	551.412	6.492	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccccc4Cl)c(Br)c3)[nH]c2c1	409374740	YEFGWCSDLDIIDO-MFOYZWKCSA-N	513.222	7.584	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409391540	JNRFNIFKBGTNEK-GRSHGNNSSA-N	503.942	5.965	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1	409394636	DBEOIILWIQSEPL-UHFFFAOYSA-N	590.861	7.444	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)cc(OC)c1OC	409395616	PUSZYJAYXAOZEI-UHFFFAOYSA-N	776.265	8.676	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409395770	ROBOJRVVRBGHET-UHFFFAOYSA-N	618.473	7.151	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409395835	SFUYIQZWCUTSJD-UHFFFAOYSA-N	714.241	9.267	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397647	MGPLOLXPGKQDDF-UHFFFAOYSA-N	552.030	7.179	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)O	409400759	QRDMHIJGWMGMEM-CPDSRJINSA-N	596.434	5.265	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1	3116317	ZWIXUOSJQZKZQR-ZDQDAFGJSA-N	567.045	5.546	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	3142982	JGNNGISEABCPTC-NDZAJKAJSA-N	534.037	5.265	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)cc1OC	8427057	UYVBUYRDDULNQI-FNTLCPBMSA-N	602.687	7.205	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(Cl)c(Cl)c1Cl	12643897	OTQGNDCNOGKXLE-WRBHAJGYSA-N	510.849	5.969	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)c1ccc(C)cc1	30817675	RNMAAANXYHXMNW-ZMFRSBBQSA-N	501.764	5.403	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Br)c1	33554994	ANWVCLVKNYFTEJ-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)c(C)c1	58915004	MJSKODRRJBIQRH-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(C)cc1	59336246	QYNDHSGJDPICAY-ZDLGFXPLSA-N	501.797	7.089	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cccc3ccccc23)cc1	59856391	ZVLDXTMFNSTRAU-KEIPNQJHSA-N	568.098	6.961	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	97950449	CNOJBZYHOYFDTF-MHZLTWQESA-N	528.703	6.326	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(Br)cc1	100066449	XLOWPQRCORZDTC-YUMHPJSZSA-N	540.874	5.983	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	100081413	YBDUQTJZJYLATB-BIZUNTBRSA-N	607.574	6.326	50	40	KKGB	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1Cc1cc(Cl)ccc1Cl	101459669	DOGPLDKBOOYRRC-LDADJPATSA-N	556.902	8.239	50	40	KKGB	
Cc1ccccc1CN1c2ccccc2C2=C([C@H](c3ccccc3Br)C(C#N)=C(N)O2)S1(=O)=O	102066666	HRSYKFPYEYVLBU-HSZRJFAPSA-N	534.435	5.284	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(O)CC(C)(C)CC2=N1	102893866	YHKPDHAYMGSMHA-RUZDIDTESA-N	531.634	5.759	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(F)cc1	103889944	DHUHBIFQQBPKME-SXGWCWSVSA-N	597.211	6.870	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	105437432	TTWVUJDNDPRKGA-JEPNHJGPSA-N	618.542	7.071	50	40	KKGB	
CCCCC[C@H](Br)[C@@H](Br)C[C@H](Br)[C@H](Br)CCCCCCCC(=O)c1ccc2ccccc2c1O	150365600	OMRVMXGALBOWHY-QYOOZWMWSA-N	726.226	10.483	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	150385478	GDQGDDFAMRPZOO-KVAAJVFYSA-N	647.031	6.192	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c1C#N	150404150	WDVDOAWARGJABU-HBHSWBPBSA-N	729.369	6.045	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1	150425788	PSFZWSFAKYWYRO-JEPNHJGPSA-N	650.201	6.599	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(I)cc1	408569473	OANDCDYWVKYMNR-PXNMLYILSA-N	651.217	6.563	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)c1ccc(Br)cc1	408579351	GBBMASLKEKXMGX-WOJGMQOQSA-N	503.621	7.508	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	408583424	UMBIVSSKKQXPBI-VXLYETTFSA-N	514.803	6.771	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCc1cccc2ccccc12	408599215	QBFMRDFNTLRYQP-HNSNBQBZSA-N	606.504	7.484	50	40	KKGB	
COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)OC(=O)[C@@H]23)cc1	408722106	DSRJGHHICZPACK-NTNLBHODSA-N	542.587	5.403	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3cc(C)cc(C)c3)c2-c2ccccc2)cc1	408740403	BRDIXAWEUZDXIS-JBASAIQMSA-N	537.663	8.373	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408741340	LHVHMXQJQZINPR-IHELAITMSA-N	636.708	8.461	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(I)c2)cc1	408744358	KQOUXRZVPVQWCT-UNOMPAQXSA-N	542.348	5.954	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408746313	YIFILPNUNHDSPJ-NVMNQCDNSA-N	665.225	6.237	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(Br)cc1	408746507	DWPPMFLAXXKHDU-YVLHZVERSA-N	668.123	6.949	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)NCc1ccccc1	408747274	LMJHVJDZDYAOQV-JMIUGGIZSA-N	664.237	5.396	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1cccc(C)c1	408759471	FPSOYRNHCRUDLH-GRSHGNNSSA-N	603.254	6.495	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408759580	HJRQWYJTNROTSK-YVLHZVERSA-N	657.313	6.619	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	408765096	ZHOLCOBXOMJBLP-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)cc1	408795946	NROFGKRJTKHNOW-DEDYPNTBSA-N	542.804	6.632	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408819429	QTYCQYSNYJYJNK-LUOAPIJWSA-N	587.095	6.627	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccccc2Cl)cc1	408826558	DWLJKNJAQSCTIL-LQKURTRISA-N	514.047	5.029	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408828105	IVHOVKBQVZUANO-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1OC	408830002	QSHOPRVJPUMKGG-LQKURTRISA-N	637.350	5.131	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	408830305	MAYFXGQWYCUGKX-MWBNBJEGSA-N	730.037	6.003	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)c(Br)cc1OCc1ccc(Br)cc1	408844214	CNYOTZOVDGULPF-MZJWZYIUSA-N	562.258	5.962	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(C)c1	408848491	VJXXUXJZGOBFSB-QDTIIGTASA-N	572.253	6.618	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(C)c1	408855908	HBNDLVLFEUXSPT-PNEAAFPUSA-N	539.679	7.833	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1	408857270	NWZMCZXPGCKDRR-PQKVGRGHSA-N	740.439	9.316	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408864701	ZGRWPJINYZECOE-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1Cc1cc(C)cc(C)c1	408864862	AQDGEBUMJWVQSZ-WSDLNYQXSA-N	584.885	7.405	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(C)(=O)=O)cc1	408877609	WENQOWKNBPOGDC-WKULSOCRSA-N	624.941	5.005	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1cccc2ccccc12	408886213	FIVYTBXQAFSPPJ-CPNJWEJPSA-N	612.299	6.678	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OCc1ccccc1Cl	408888061	SESSTSDIRSYRAM-YBFXNURJSA-N	607.275	7.430	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccc(Cl)cc1	408892206	XULQNTUQLOCVSO-GIJQJNRQSA-N	556.800	6.452	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408900059	SMXLCGWEWBQVLL-CPNJWEJPSA-N	653.270	6.980	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OCc1cccc2ccccc12	408904187	GBGIIEIUKJQHCC-CAQPMQTCSA-N	558.476	7.382	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905226	VLBNHSQWQJRNFX-RAWMCFOBSA-N	618.194	6.117	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)c(OC)c1	408955225	OIWARECIKATYQC-HVJLQFNCSA-N	842.400	5.343	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Br)cc1	408961788	FCKNFNIKWUNBJY-IPPBACCNSA-N	521.333	6.210	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(I)c1OCc1ccccc1	408970888	ADXKDCJSZCCFQH-AASFFQPYSA-N	643.522	5.247	50	40	KKGB	
Cc1cc(C)c(COc2ccc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)cc2)c(C)c1	408981956	WSHFCWWDWLGXSU-OXMOZHKQSA-N	519.645	6.202	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1	408997622	NOOASXLBRTXMOT-COBXIUJNSA-N	613.424	5.992	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1	409019244	YLTKLDOLMAXQFX-OCSSWDANSA-N	538.984	5.590	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccccc1	409041871	VZXDSIDKWWBZHS-FMFFXOCNSA-N	548.668	7.295	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccc(Br)cc1	409043777	ZMYYHGCRYDLCCV-MWBNBJEGSA-N	706.460	8.820	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OCc1cccc2ccccc12	409044783	PBJKZHWJDBPIPT-SGFZWYBVSA-N	577.684	8.135	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)cc1	409124734	BOBZKPIYBGSXLK-VFLNYLIXSA-N	537.896	7.008	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)ccc1OC(=O)c1ccc(C)cc1	409220387	YKRHKNZOWSPWGX-UHFFFAOYSA-N	609.635	5.563	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409224845	MOJMVFHEYLQWIA-UHFFFAOYSA-N	590.463	6.936	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)c1	409250579	NABZYPXWQACNDV-WOJGMQOQSA-N	569.253	6.083	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1)Nc1ccc(Cl)cc1	409252891	VEJYZKREMULFHE-KVAAJVFYSA-N	616.530	7.642	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)c1	409255889	JFFDKGABTBIJPZ-UDWIEESQSA-N	506.356	6.056	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409259659	CCOUITPLOYSODT-QDTIIGTASA-N	500.382	5.400	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1cccc2ccccc12	409310980	XPESWASRNNYORI-NDENLUEZSA-N	537.226	8.147	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Br)cc1	409363470	WSQOXKHZGPUJEN-KBKYJPHKSA-N	562.214	5.292	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1Cl	409370990	BSHNZNBEDANEDP-PPDIBHTLSA-N	522.772	5.835	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409394877	GYVLKICMELQVTM-UHFFFAOYSA-N	687.934	7.131	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395125	KDJSBVBRVXDWNZ-UHFFFAOYSA-N	743.739	7.747	50	40	KKGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409400311	OEXSAPAQSWNEPP-UHBFCERESA-N	566.452	6.200	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4F)c([N+](=O)[O-])c3)o2)cc1	409406579	XEKNNZFWZOYZRO-RODHXAHZSA-N	660.058	6.748	50	40	KKGB	
BrCc1c(-c2ccc(Br)cc2)oc(-c2ccc(Br)cc2)c1Br	1671895	GQJLOFBFVJGPDM-UHFFFAOYSA-N	549.882	7.796	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1OCc1c(F)cccc1Cl	1784679	WTIFFDYBIPRDOG-RPUDKEGQSA-N	591.064	5.964	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1	2348935	WMLURLFJXSNRNN-OCSSWDANSA-N	528.037	5.992	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2-c2ccccc2)cc1OC	2588268	ORAHEJDZFDCVKT-STBIYBPSSA-N	580.508	5.737	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	2670798	XLZZXLYRSJDIHL-MHWRWJLKSA-N	559.272	7.609	50	40	KKGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1	2743772	GXXQXZMFSHICTI-OAQYLSRUSA-N	503.780	5.326	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)S(=O)(=O)c2ccccc2)cc1Cl	3146018	VQFVOPQICFFFHQ-RPPGKUMJSA-N	526.829	5.006	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	3166332	ICMXRFCZDDWQTA-BIILEJNGSA-N	540.667	6.760	50	40	KKGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1	4062630	XLOFARNHYSKLDF-RPPGKUMJSA-N	521.396	5.809	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3c4ccccc4c(Cl)c4ccccc34)cc2)cc1	6146183	FLCKEXBJVZWDSM-BIZUNTBRSA-N	558.059	6.610	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	12250357	WRFNDGPPSAZCTQ-MHZLTWQESA-N	526.662	6.220	50	40	KKGB	
COc1ccc2oc(C(=O)OCC(=O)N(/N=C/c3ccccc3)c3cccc(C(F)(F)F)c3)c(C)c2c1	13098466	RUHFIXZSYFDXNN-IBBHUPRXSA-N	510.468	5.993	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	19939598	BTNGJSWBONNKNF-RUZDIDTESA-N	500.649	5.763	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)cc1	32181050	PTAICVGIOLFEFO-YBFXNURJSA-N	507.340	5.281	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Br)cc1	59232902	AJSXZTKRKCTDQH-JCMHNJIXSA-N	505.412	6.535	50	40	KKGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)c1	59858479	KXGIBYTWLSKPGJ-WCMJOSRZSA-N	566.989	5.053	50	40	KKGB	
O=C(Nc1ccn([C@@H]2C[C@@H](I)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1	82186422	OLTSJGCPXISYSI-JNGVYSEMSA-N	683.546	6.595	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@H]1c1ccc(O)c(OC)c1	97951641	JJMYGQBLPOHXGV-RUZDIDTESA-N	540.041	5.160	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(F)cc1	97960737	JBSYWZQEVPFFFR-RQZCQDPDSA-N	668.200	5.858	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1cccc2ccccc12	97960913	KCYUPNFMFNSXMK-HNSNBQBZSA-N	553.456	7.497	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	97960935	UXNPXHLLUIIEQU-VWJSQJICSA-N	601.328	7.515	50	40	KKGB	
Cc1ccc([C@]2(C(F)(F)F)N/C(=C(/C#N)c3ccccn3)O[C@@H]2C(=O)c2ccc(Br)cc2)cc1	97981172	AEPPTCQQDBSTRG-RRIXPWCTSA-N	528.328	5.674	50	40	KKGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)c(C)c1	101566450	AWFSZUYUMXNLPB-WJOKGBTCSA-N	563.723	6.992	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1C#N	103890061	VPYRVQPCSLBWMM-NVMNQCDNSA-N	557.231	6.761	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	103899827	PPUWLPODOZVRQL-KCSSXMTESA-N	583.541	6.309	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C(\CCN1CCCC1)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	104296497	APBBCAWLTXBCGG-QJBCEZTISA-N	523.633	5.221	50	40	KKGB	
C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341161	AIAXRNXZOFYKHD-GSVOUGTGSA-N	888.081	11.021	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2)S(=O)(=O)c1ccccc1	150365935	UMGRTIGKWKYCNI-KVMHJZTGSA-N	659.183	7.050	50	40	KKGB	
CC(C)(C)[Si](Oc1ccc([C@@H]2[C@@H](CC[C@H](O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)(c1ccccc1)c1ccccc1	199847260	MUXDGYNFNRDXRZ-NVLDWDGTSA-N	647.838	8.122	50	40	KKGB	in-vitro
Cc1cccc(C)c1P(c1cccc2c1[C@@]1(CCc3cccc(C4=N[C@@H](Cc5ccccc5)CO4)c31)CC2)c1c(C)cccc1C	202321556	UNZRWTOGFLMTTE-NKTCMXKJSA-N	619.789	8.245	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408581126	GGIOVIHZYQFMOK-DJKKODMXSA-N	518.824	7.706	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)c(OCc4ccccc4)c(OCC)c3)CC2=O)cc1	408606387	LTSZGKYLVMRXRD-HXUWFJFHSA-N	524.017	5.213	50	40	KKGB	
CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	408636599	AXJSGITYBAHKLU-NFBKMPQASA-N	534.436	5.464	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc(F)cc1	408710736	HZPXQTMZRDBEHE-IPPBACCNSA-N	650.229	6.531	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccc(I)cc1	408711959	SKJNYKJQBORTPK-VULFUBBASA-N	626.232	5.637	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1	408726527	OFIAZJFQMUJHHM-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccc(Cl)cc1	408726886	VNTNUFYAUSLOPF-UNOMPAQXSA-N	588.829	6.477	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	408741924	SQYOVZKLXCGKLZ-FADJLKOXSA-N	604.688	7.139	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c1	408742590	BDZHDSZMFGKWGT-ODLFYWEKSA-N	539.329	5.633	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408743164	ZNVDWRJMFLTRTH-WKULSOCRSA-N	563.954	6.129	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408745195	PZTXMWCGBUMYIH-WQRHYEAKSA-N	590.699	7.388	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OC	408762689	LUOAMQQFUYCONE-RWPZCVJISA-N	519.480	5.850	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccccc1	408779562	YMTJKVINHMECSS-STZFKDTASA-N	520.427	6.038	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)cc1	408794895	JMWMHMQSNPHWHA-WSDLNYQXSA-N	516.395	6.016	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(I)cc1	408796301	OPOBCAJTYAHBJP-VXLYETTFSA-N	607.275	7.430	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408796782	ZDUGRYJVMFWGME-WOJGMQOQSA-N	542.227	6.345	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408809829	RWYWRCXFMHDGPN-BUVRLJJBSA-N	646.481	7.063	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408823443	DHIWYINAHZKDQV-YDZHTSKRSA-N	648.897	7.723	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408824553	IFENRSDOVUZMAJ-STBIYBPSSA-N	672.563	8.319	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408828922	JZACRNZNMGCNIH-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)S(=O)(=O)c2ccccc2)cc1	408832457	YVAASOTVHVPRTM-STKMKYKTSA-N	587.698	5.409	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1	408834469	WELXSJRXJOFLPW-FZPRHHONSA-N	643.549	5.773	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408840870	CPBFSESNPYRXNS-MWBNBJEGSA-N	676.976	7.951	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408848258	VGKTZWYWTKDVRA-ZSNJKBEMSA-N	589.120	8.703	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Br)cc1	408851713	MZQLVUVXWVZICL-FDVSRXAVSA-N	568.265	7.029	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(I)cc1	408853639	VSRINKYRJZZURL-QJOVZPHJSA-N	767.405	8.013	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1	408855090	DFNSSILSMHHOHE-PQKVGRGHSA-N	604.537	9.256	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408862647	IGHDGGTWQOJXJG-OCSSWDANSA-N	576.502	5.611	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1	408873415	QTXMMKXAPZIJOY-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1Cc1cc(C)cc(C)c1	408875491	GAKQSSATXMDIEG-CIAFOILYSA-N	522.386	6.053	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccc(Cl)cc1	408880539	IEKDMPOGKVFDAA-WOJGMQOQSA-N	555.812	6.324	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OCc1ccc(C)cc1	408885909	GQPNKSFXXDYOTF-UVHMKAGCSA-N	603.507	6.039	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Br	408885967	CBFQVZWEXQOBOV-LICLKQGHSA-N	576.672	6.998	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	408887908	SBMSDVSDWZUVOI-BHGWPJFGSA-N	594.172	5.593	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1cc(C)cc(C)c1	408889358	CXTQDGNORUTCQO-ZMOGYAJESA-N	580.466	7.048	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1	408894496	IJGMFMOBUAWSKF-UDWIEESQSA-N	536.382	6.189	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccccc1Cl	408897030	PVKSVHICHGESDM-GIJQJNRQSA-N	556.800	6.452	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12	408897111	VTAUZHUWAQNFON-LQKURTRISA-N	503.352	5.594	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)cc1Cl	408898489	WFZREDDBOQGORU-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1OCc1ccc(Cl)cc1Cl	408922203	DYQPPOHAFQTFGB-VIZOYTHASA-N	567.212	7.342	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccc(F)cc1	408947750	ODMFRLZWIIELPU-MHZLTWQESA-N	781.442	5.657	50	40	KKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408949863	SGYGGYBIRZNGTP-SFNZXDEDSA-N	560.492	7.165	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(I)cc1	408964776	SAUKUTNCCQVLII-XKJRVUDJSA-N	633.202	6.424	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(O)ccc2ccccc12	408974111	XHWRNTYBODIHLT-DIXULHDNSA-N	550.442	5.497	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OCC)c1)c1ccccc1	408977010	CASHIZBTAFFDFV-YKDKEXQMSA-N	507.562	5.131	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc2)cc1	408978284	HSIQGLCKIRVNIV-NGUGDGFLSA-N	532.641	5.102	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408983394	LVTDVHJQHHCNBT-GIJQJNRQSA-N	550.269	8.132	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409015828	BQXRFUFIZAQPHL-ZLMSITSKSA-N	634.736	7.910	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccccc1Cl	409021706	UKPSFGGRIUNFRL-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409032040	HXMYUXMMNDZWGO-IDWIKUEFSA-N	633.489	8.003	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12	409032228	LUODDUHNJPYGMQ-GLSSPLDFSA-N	561.641	5.735	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1ccc(Br)cc1	409070284	YPLKDTVMGXKLBR-PXLXIMEGSA-N	533.422	6.407	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(Cl)cc1Cl	409101788	RKCWKXYCJFECNI-RUZDIDTESA-N	511.361	5.918	50	40	KKGB	
Cc1cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1Br	409158033	WZHUFYHNQQQYAD-KVSWJAHQSA-N	578.250	5.171	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1	409219695	TYUSRHNEKUVNRW-UHFFFAOYSA-N	635.312	6.755	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(C)=O	409223649	HLDJFZWMMVSIAU-UHFFFAOYSA-N	753.356	6.110	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1	409227944	XVRHKHOUEFGYOR-KPSPMFJDSA-N	523.976	5.975	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc2ccccc2c1	409237363	WDQVXPAKESWYPV-QRVIBDJDSA-N	595.415	8.144	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl	409267305	URWCIFXDKQUPRJ-YVLHZVERSA-N	514.796	6.518	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409315182	IMIGGAQFKUPEJF-SFTDATJTSA-N	613.317	5.264	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1OCC	409316617	ZUNDNQUHOLQERB-MNDYBZJGSA-N	608.302	6.881	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409321676	UPERPJDOEFJIKX-AEUUOICLSA-N	622.505	6.761	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2Cl)ccc1OCc1ccccc1	409324761	UXZVXQWRKPSPJC-OHUYPAJKSA-N	593.905	7.423	50	40	KKGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3F)=C2C#N)cc1	409325291	XOFVSCOPQXATFT-OAHLLOKOSA-N	506.422	5.021	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409327499	UQMCKPPQEBEKTB-RTWAWAEBSA-N	582.893	5.464	50	40	KKGB	
C=C(/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N	409336123	SJNZOFBSTQGYRU-QGMBQPNBSA-N	509.349	6.340	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409364373	PHHYJZMFAFJESW-QMRORBIVSA-N	630.101	7.136	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	409365645	RFNBSTBUWOXMHE-CPDSRJINSA-N	564.307	7.043	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409366375	URKHSBQEXZNIFO-MUXKCCDJSA-N	592.284	5.509	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(Oc2ccccc2)c1	409367761	FLNAAFLRWBDZAT-MNBJERMJSA-N	612.933	6.236	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)ccc1OCc1ccccc1	409383671	ZIGOCGPVARJFTQ-FZKWRIDDSA-N	571.605	5.593	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccco1	409394805	GCHIRHBHWRUBGX-UHFFFAOYSA-N	688.703	7.432	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409395900	SZTKDOAJXLNGIH-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
O=C(OC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	885164024	CSBTZFZDKCIMLP-UHFFFAOYSA-N	874.109	8.531	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@H]1c1ccccc1	1802791	JABYLKGUZZVHHM-HHHXNRCGSA-N	578.616	6.421	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C(C)=O)cc2)NC2=C1C(=O)CCC2	2312380	WYZNYCZITPUTJB-SANMLTNESA-N	501.608	5.089	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	2670742	WVCKWZAPGBDSSZ-OQLLNIDSSA-N	525.373	6.755	50	40	KKGB	
Cc1cccc(NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2)c1	3116322	SDNNTAWGSCPTDF-UVHMKAGCSA-N	545.231	5.301	50	40	KKGB	
COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)cc2OC)cc1	3230193	OQVJZBWEUASFPU-XZYGTATASA-N	580.040	6.693	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(C)cc1	4196406	MUPNSLVPZRYSBU-RGVLZGJSSA-N	513.229	7.172	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1	6015261	ULUHIJCVIGEBMD-HHHXNRCGSA-N	513.594	5.785	50	40	KKGB	
N#C/C(=C\c1cc(I)cc(I)c1OCc1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N	8443014	HYLGQYDATKMVGS-YBFXNURJSA-N	669.264	6.179	50	40	KKGB	
CCOc1ccc(Oc2c(/C=N/NC(=O)CC34CC5CC(CC(C5)C3)C4)c(C)nn2-c2ccccc2)cc1	14360310	YZTIBVCIINYXGY-UZWMFBFFSA-N	512.654	6.428	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccc(Cl)cc2C)cc1	20206906	WDXSDUULFJELSG-LQKURTRISA-N	514.047	5.090	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCc1c(Cl)cccc1Cl	41078024	UHGBIGQRBWUHGL-KBKYJPHKSA-N	509.187	5.502	50	40	KKGB	
COc1ccccc1NCc1nnc(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)n1-c1ccc(Cl)cc1Cl	97959388	DIRIZHXDHOIEPU-XKJRVUDJSA-N	602.460	5.051	50	40	KKGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1	97959773	IGHPWJLWHBSUOT-YBTRULGFSA-N	619.589	6.357	50	40	KKGB	
Cc1cccc(/N=C(O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)c1C	97968681	YBXVEFGVUCRXBE-OKRIBVEGSA-N	522.457	7.325	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(OC)cc3)=C(C)N2)cc1	98048502	WAEPIEBSESXRPG-MHZLTWQESA-N	544.633	5.393	50	40	KKGB	
C[C@@H](NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1	100093191	NYKBCQNTPMOTKT-DLDHWCNJSA-N	613.523	5.305	50	40	KKGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c1C	100100215	OYHNOLZTTFPFKO-OCSSWDANSA-N	532.507	7.221	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1c2ccccc2cc2ccccc12	100853125	XKHDUGLHYPRLPE-MUXKCCDJSA-N	535.119	7.033	50	40	KKGB	
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1ccc(OCc2ccccc2)cc1	101002229	BHTBEVJHMKPMBA-KQWNVCNZSA-N	596.528	5.081	50	40	KKGB	
Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H]([C@@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)c1	101052264	CLJSKGHGSRSCIZ-RPZLJYRGSA-N	505.206	5.070	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	101559006	FTQONRWCWCKVCF-MHZLTWQESA-N	598.939	7.458	50	40	KKGB	
N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)N=C2CCCC(O)=C2[C@@H]1c1ccccc1F	102576744	NRYIYNIDWHMIRQ-MUUNZHRXSA-N	509.606	7.193	50	40	KKGB	
c1ccc([PH](CCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	103843154	CQKGFPDCDPGCBB-UHFFFAOYSA-N	568.681	6.829	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1	103888498	DQHIAOODKWMXCC-HMAPJEAMSA-N	566.293	7.373	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1OCC	110400644	OEEXTGQOIJJFNU-WOJGMQOQSA-N	544.025	5.193	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342092	NMVCEXYJNXPKOE-UWTATZPHSA-N	942.051	11.564	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	150433616	WQTSWEUHUKUENW-ATZGPIRCSA-N	633.985	6.799	50	40	KKGB	
CCCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C=C\[C@@H](CCCCC)OO)OC(=O)CCCCCCC/C=C\C=C\[C@H](CCCCC)OO)OO	150658686	SOQCDTNXVWQPLF-DIFHDEKASA-N	989.426	16.220	50	40	KKGB	in-vitro
CCCCCCCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408536734	ATRDUEFFRYPQTO-XZYGTATASA-N	630.041	10.017	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)cc2Br)ccc1OCc1ccccc1	408538618	ANTDBVSFVNSRBM-FFKGLWRNSA-N	760.479	8.730	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408552872	LHQHLDWASJJVHB-LPYMAVHISA-N	592.548	8.057	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	408579675	JKWSRCJFWPMKRT-GIJQJNRQSA-N	503.223	7.716	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408579942	LRVCYBLKJQEIDU-CXUHLZMHSA-N	523.294	8.176	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1	408582967	QALDERHQZHMVNA-VCHYOVAHSA-N	517.192	7.002	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408637611	AUMRFSXEXZZKGT-FKBYEOEOSA-N	533.839	5.572	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O	408640203	HPLMMYQCJQDBIA-GOSISDBHSA-N	516.208	5.424	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	408646769	UKVWKLDLDBVMPH-OPYAIIAOSA-N	521.828	5.406	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408676361	HPXFCGNTIGFCHB-FJEPWZHXSA-N	624.306	6.550	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(I)c1OCc1ccc(Br)cc1	408710835	NYBKXQDHCXIWRT-XODNFHPESA-N	688.154	6.566	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccccc1C#N	408711623	BSCCGQIQMSSORN-CCVNUDIWSA-N	604.242	5.667	50	40	KKGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1)S(=O)(=O)c1ccccc1	408725261	DSJDJAYAFKSCRT-NDZAJKAJSA-N	534.037	5.508	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(Br)cc1	408742857	CFSFWESZLYBHFX-PDGQHHTCSA-N	542.227	6.345	50	40	KKGB	
CC1=CC(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1	408747290	LRJBMXYTXJQSPW-KUAKTGBJSA-N	525.446	7.477	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc12	408748785	HJBVAMXSSGJGKU-MUFRIFMGSA-N	548.393	6.252	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408760863	AJSYBBDWCHVTJS-MHDJOFBISA-N	619.313	7.021	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	408772032	AGEBLYIFYKHRCW-NDZAJKAJSA-N	592.471	5.014	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408792119	ICWRFJXIBJCYSP-VIZOYTHASA-N	753.987	8.090	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408793043	CUBYMWGXYUKNID-VXLYETTFSA-N	542.249	8.578	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(Cl)cc1	408793305	OINUFBOGAKUPDH-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795001	JUUDXZRGTZQLJB-CXUHLZMHSA-N	583.640	7.376	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(F)cc1	408795617	MHWHGBWFSGLZLN-BUVRLJJBSA-N	587.445	7.300	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1	408795866	MVQBEKKNGPWKPQ-WOJGMQOQSA-N	511.759	5.925	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(I)cc1	408798743	WUDSDKACWIHWID-HYARGMPZSA-N	552.412	6.431	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1	408803969	BIEACNSGOVVHEL-UDWIEESQSA-N	602.856	6.867	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408805080	DHWLSRNEIYOBLW-LFVJCYFKSA-N	539.975	6.952	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(I)cc1	408815525	JRRBPLCEOWMNJH-WQRHYEAKSA-N	668.244	6.558	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408827078	UOLRLDOTPJKJRT-LPYMAVHISA-N	598.313	9.004	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl	408827971	NAKDCENPXWGWDJ-WGOQTCKBSA-N	627.955	9.812	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OC(C)C	408834584	WOPPPZYNZOAQGT-RGVLZGJSSA-N	651.328	7.909	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838702	HIVJOCSUSUDOHV-AABVJFSESA-N	607.950	8.857	50	40	KKGB	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408839314	QNPAGIXNLBCDRC-UHFFFAOYSA-N	529.361	5.443	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4ccccc4c3Cl)cc2)cc1	408840033	AJYHLCWKMCXXCJ-DPNNOFEESA-N	568.054	7.099	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408840581	GZPCSXDRJZSRJE-BIZUNTBRSA-N	623.087	5.572	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841263	FAKGKLJTWUWXJE-CHSHITCJSA-N	612.158	9.127	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408843507	LTVLGGRMGFIUDA-HZTVMEOHSA-N	781.537	10.128	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)OC	408844558	DQIUUNLXHPUNNV-APTWKGOFSA-N	586.486	6.259	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1	408857887	XDFURLGLAUICAZ-WBIBEUCMSA-N	588.922	8.756	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408861920	GSJRHGHEDSOBBA-JMJNUIHMSA-N	526.829	5.210	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1Cc1ccccc1F	408867721	KAYVLHVBVPTGRE-LICLKQGHSA-N	544.218	6.496	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1Cc1ccccc1Br	408869948	UNBJNUDYMSZDHV-UDWIEESQSA-N	509.831	6.946	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408874167	ZQZLFVMIDLWPLD-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(C)cc2)cc1OC	408874788	AULBFHZHDNKHIB-HPNXWYHWSA-N	623.731	6.090	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408878182	XOYTUTPDCZLXLT-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1OCc1ccc(Cl)c(Cl)c1	408886942	KIAYNXBSUHQAEK-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Br)cc1	408889272	BYLZKBNPHBEPTA-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408895601	LNGBHJFNTMGZLT-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)ccc1Br	408904383	IQVFEMZFTZQCMI-ACXHZZMFSA-N	565.899	7.553	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1OCc1ccc(Br)cc1	408952298	JYISLWHITONNSS-VYYCAZPPSA-N	593.259	6.104	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br)Nc1ccc(F)cc1	408965774	LVXXHEUFQNUWBV-KKMKTNMSSA-N	555.316	5.024	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1O	408969118	HOBONFMALUJINS-OECRFXDPSA-N	584.500	5.471	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1	408969458	NUGSBDMANSGFDN-NLKHTXNRSA-N	627.572	6.950	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(F)cc1	408969782	UKPWOQIMVDXJRY-ZDLGFXPLSA-N	530.293	5.990	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409005545	FBZWZKITCAAWQN-IPHFVPNQSA-N	551.687	6.335	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409006224	IDQLZAJNCZKUDN-NDENLUEZSA-N	633.381	6.601	50	40	KKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(Br)cc(Br)c1O	409009646	HITORDNTZPHEMZ-DHRITJCHSA-N	520.221	6.013	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)c1	409013261	TYWAXDFLKZMLGN-KKMKTNMSSA-N	590.259	6.588	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)c1	409024420	LAUKHWKMXSKPLS-RSAIGHIKSA-N	544.677	5.500	50	40	KKGB	
N#CCOc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409029641	CARGXPKPYXTKKX-FDVSRXAVSA-N	658.237	5.777	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(Br)cc(Br)cc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409035668	PWZFXOBGWXXIGJ-ODNPBWNPSA-N	687.388	7.946	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	409049829	XWEYBOLVJVEHHO-XDHOZWIPSA-N	505.958	5.229	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccs1	409061512	DUFIKFWFKUUNJX-BHGWPJFGSA-N	516.859	5.050	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)Cc2cccc(C)c2)cc1	409065226	FDUFAGOBWRLZLX-UZWMFBFFSA-N	541.673	5.224	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	409118870	QOQQETUNGSJSOJ-GRJIBALVSA-N	503.451	6.520	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409121842	YDEFCQMXFKOQMQ-ROPCREHHSA-N	678.982	6.625	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cccc1[N+](=O)[O-]	409217733	AUEIPQBZJRSYLP-KYHGBAKBSA-N	586.988	5.801	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409221960	BXRJUMLCEMIFRH-MTYDFLEZSA-N	558.421	6.628	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409230874	GVYBPQKAOCZESN-PXNMLYILSA-N	570.192	7.899	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409233396	VTYPKQKOGWAYSP-VFLNYLIXSA-N	545.492	5.959	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409239510	NKARLKFGJCIAMM-NVJOKUIPSA-N	540.216	6.175	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1	409248611	HJQSFYYLUQWENV-VBNMEBLOSA-N	530.249	7.119	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409263441	MSDMDRXBIKAPLF-GRSHGNNSSA-N	524.404	6.182	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409273593	ZEXSBSLNDQZZJX-MTJSOVHGSA-N	503.986	5.837	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1OC	409321498	GTOKUJNJITZKNY-VYYCAZPPSA-N	501.352	5.338	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1OC	409326971	PHELRCNDZLVNHA-NUJZUDFISA-N	505.373	6.273	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409384037	XANPAAILHZSFJA-PPOKSSTKSA-N	544.611	6.056	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)cc1OCC	409394968	IEUZJCHBWNSCAC-UHFFFAOYSA-N	674.979	8.340	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409395242	LKQXWGKRLWPBNG-UHFFFAOYSA-N	750.658	9.312	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409395643	QEHGMBVRQNRYMF-UHFFFAOYSA-N	715.320	8.370	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(Cl)ccc3OC)[nH]c12	409395810	RZNSZVYWNFQWDA-UHFFFAOYSA-N	709.822	8.567	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccco1	409397723	NFQVLACOPMFWOK-UHFFFAOYSA-N	552.801	7.371	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)cc1	409397847	OPPGSFVZRRTOMY-UHFFFAOYSA-N	525.967	6.919	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12	409398403	SUKNKXKRNQCEJR-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(C)cc1	409403897	OKNQNIMNANNXMN-UHFFFAOYSA-N	598.099	7.579	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3ccccc3F)o2)cc1	409406928	YCWIJCVQGFAZAH-HQDYHJHZSA-N	582.588	6.656	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CC[C@H](C)C2	1757191	XELCPGNLGLWPDD-LUYJPIOASA-N	539.997	6.417	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(Cl)cc3)cc2)sc(C)c1C	1785454	KBDWCINZSRFWNC-WBBAFLOHSA-N	528.030	5.365	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1)c1cccc([N+](=O)[O-])c1	3236953	PSRYGWBODPDQAW-KCSSXMTESA-N	550.958	6.447	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	6073849	RBDLCAIHNKKYNF-YSUFFMFVSA-N	562.906	7.899	50	40	KKGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COc2ccc(Br)cc2Cl)c1	8454619	ULQPCKAIRVAPKA-QFIPXVFZSA-N	533.806	5.335	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)N1	8740820	UKLCYXLWXJBQRQ-DEOSSOPVSA-N	507.974	6.023	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1OCc1cccc2ccccc12	11419619	LETIGPCBYMCBPN-BIZUNTBRSA-N	565.655	5.614	50	40	KKGB	
CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1	12562673	ZSZQKGHAVORKKZ-STKMKYKTSA-N	507.634	6.455	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2CI	13423842	VJCWEUYDXCVIJK-FPWCFHQCSA-N	500.505	6.992	50	40	KKGB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccccc2)cc1	19955874	UFHSVJYEUSTYQE-AJBULDERSA-N	523.614	5.347	50	40	KKGB	
CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccc(I)cc2)cc1	33354944	BECIBVDSQUDNFX-MNOOPJCASA-N	567.427	5.391	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl	97962142	ARXNDOLXSRYIOD-HDZGYNCQSA-N	535.431	6.965	50	40	KKGB	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	98001538	CUVOZIIWKUGZKF-KBKYJPHKSA-N	656.081	5.631	50	40	KKGB	
BrCc1ccc(CBr)c(SSc2cc(CBr)ccc2CBr)c1	98005818	ZLTTZGKWKPTMAY-UHFFFAOYSA-N	590.038	8.066	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(C)c3)=C(C#N)[C@H]2c2ccccc2)cc1	98048576	HWFQCPKISWBLFL-GDLZYMKVSA-N	566.683	5.878	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)[C@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)c(C)c1	100097896	ZYFRSZLAGFFNDW-OASJLCFRSA-N	606.091	6.562	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100123622	NVWMLRLHUYTXMO-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1	100210871	JICZXSZAVOBUOP-QCFMCPCVSA-N	607.688	6.283	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	100313277	CEYDFHDJWCRBLT-IDWIKUEFSA-N	568.555	7.431	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc(Br)c1O	100328733	SVROOGNQSBODKL-PPDIBHTLSA-N	559.873	5.457	50	40	KKGB	
N#CC1=C(N)OC2=C([C@H]1c1cc(Br)ccc1F)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12	102066101	BWGGZTOWGGLLHB-QFIPXVFZSA-N	556.388	5.254	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	102808226	LDHUQCVBVHOIRR-XMMPIXPASA-N	572.996	6.658	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(Cl)c3)=C(C#N)[C@@H]2c2ccco2)cc1	102808229	NGAANCDLKAGUQX-AREMUKBSSA-N	549.052	6.038	50	40	KKGB	
Cc1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)n1-c1ccc(Br)cc1	102988630	ZDBGDURNQJFOHR-OQKWZONESA-N	529.442	5.338	50	40	KKGB	
N#CC1=C(SCc2ccccc2)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1	103526644	GSYBXRCOUJWYKK-ZFGGDYGUSA-N	518.557	5.993	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1OC	103900150	FCJZZICZZLVLMW-MUFRIFMGSA-N	606.926	5.330	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OC(=O)c1ccc(OC)cc1	150416457	CIXZIXYCVJJDPA-LICLKQGHSA-N	647.809	6.025	50	40	KKGB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)CCN3C(=O)/C(=C\c4ccc(C)cc4)SC3=S)C2=O)cc1	150452337	YKKOGVLVKZSMBH-ZFQRDYFNSA-N	652.889	5.504	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c2cc(Cl)ccc2OC)cc1OC	150474275	STVPBDYRSIAVCE-KULFSUQXSA-N	679.117	6.138	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	164732223	MGPNJLMIAUYVRN-NVNXTCNLSA-N	615.536	8.296	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795288	LVVNOPVZNPTTLA-KNVOCYPGSA-N	688.019	8.210	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795491	ZZRMWDWWVLJNFF-WOJBJXKFSA-N	970.384	14.552	50	40	KKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2C3=CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C	253514205	PODSSBXKTWSWQL-NQSUVVOASA-N	510.923	10.360	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2)ccc1OCc1ccccc1	408537490	FREMDXVDMZDWNO-OJYCWLPVSA-N	577.706	7.439	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1	408540145	NRFAUWBUDYOWOF-IDWIKUEFSA-N	609.520	7.923	50	40	KKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2n1Cc1ccccc1C#N	408553217	MUTDOHSLUJPJPF-HYARGMPZSA-N	501.615	6.227	50	40	KKGB	
N#C/C(=C\c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	408555047	VDPAGESLLAKRHD-DEDYPNTBSA-N	506.587	5.745	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2cccc(F)c2)c(I)c1	408570714	XTKXTLOQIKGYMY-CCVNUDIWSA-N	608.498	6.017	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(I)cc1	408590576	PSTSXNPUPAFGAQ-JVWAILMASA-N	513.423	5.689	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)NNc3cc(Br)ccc3OCc3ccccc3Cl)CC2=O)cc1C	408605468	KHICOIHEJBDOJA-LJQANCHMSA-N	542.861	5.795	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408663012	YASVIXVOIAMPOA-ZRYBUHPUSA-N	677.604	6.053	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(N2CCCC2)cc1	408678477	ZRBLTPCCFSJEPY-RWPZCVJISA-N	696.283	5.747	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)c1	408710747	YTRVCQXWGCKHGI-UVHMKAGCSA-N	625.257	5.422	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cccnc1	408722749	MWGLFWPHOJXBAR-XODNFHPESA-N	633.227	5.787	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1	408745834	PLTBCQPWNGBPOY-WQRHYEAKSA-N	589.227	6.187	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408758539	MCAJIFYEJGRCMH-PDGQHHTCSA-N	622.868	5.965	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2cc(Cl)ccc2OC)cc1OC	408771871	KVKJUVDQTKUXCZ-ALQBTCKLSA-N	618.111	6.018	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1cccc(C)c1	408776276	YBQHTDKDHNCTKV-RRAHZORUSA-N	507.634	5.567	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408777013	UOWYIFBJHFZFGS-YBEGLDIGSA-N	553.325	6.002	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(C)cc2)cc1	408777120	VNTBQTRGGDLROC-UZWMFBFFSA-N	553.709	6.369	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc(F)c1	408787900	HKXKLBGNAXHZFP-FRKPEAEDSA-N	550.211	7.028	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408789298	IPMZBUFBQLRZIE-YBFXNURJSA-N	555.812	6.022	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408792858	LUKZFISXQVKEGK-SRZZPIQSSA-N	690.706	7.827	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1ccc(F)cc1	408796361	NUWWGVLUIPUWRK-XDHOZWIPSA-N	525.374	6.120	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408798644	WMUNYDHYFXZYDS-GIJQJNRQSA-N	520.243	7.987	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OC(C)C	408823153	DXOMDHJLMONVLX-UDWIEESQSA-N	511.405	6.914	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1)S(=O)(=O)c1ccccc1	408827509	KEBMJNRLEAALBL-NNLKUIAGSA-N	658.607	8.040	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(Br)c1	408829111	OAXDZTLVOOHGFG-QNGOZBTKSA-N	610.917	6.632	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408832321	QOMAXWQCSLVCBR-AFUMVMLFSA-N	675.479	7.220	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1	408833655	UIKQXFGVKDSNKU-PXLXIMEGSA-N	501.380	5.894	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408842625	PCADYMUQNOKDAI-XAZZYMPDSA-N	589.437	6.940	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccccc1F	408844875	PQFXFGJSDXQUAF-XJECJHNESA-N	692.554	7.957	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408848234	RJEGXAYEXJGQDT-DBSPGSINSA-N	582.075	7.987	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408848874	WTJZACDZCTXGKJ-XJECJHNESA-N	596.543	8.627	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)c2ccc(C)cc2)cc1	408858159	NCBDTARXZMBOML-JGRMKTMXSA-N	584.698	5.382	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2cccc(Cl)c2)cc1	408860108	SFDHLNNJHKHBMT-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2)cc1	408860670	BKPMZKHZIKLBEF-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cccc(Br)c2)cc1	408861223	ADRUBMBXHGQYBM-KPGMTVGESA-N	648.410	6.817	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2Br)c1	408890239	QFFZHNSUJWQRFZ-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccc2ccccc12	408890442	TYGWFKOMHDMCKT-XSFVSMFZSA-N	531.395	7.310	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1C	408892474	ZUHMDYVHGKFVOC-RGVLZGJSSA-N	536.382	6.189	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408904089	DODWMPZPCOKIIH-QDTIIGTASA-N	652.283	6.194	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cc(C)cc3C)cc2Br)cc1	408925174	QIEVACVQUMIOET-FYJGNVAPSA-N	582.476	5.646	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2Br)c1	408926234	WJHXREUKXIKORN-GIJQJNRQSA-N	698.047	8.478	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)c(OC)c1	408947253	AXISJAOWNXCDNI-FEFDWTNPSA-N	685.959	5.410	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)c(OC)c1	408949761	FZMQEFWQAPRETC-KJPNIZKVSA-N	665.541	5.065	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1	408983968	OXDCOLRXROCMAM-MFOYZWKCSA-N	550.667	7.842	50	40	KKGB	
O=C(Nc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	408997930	PGTWDPMBVAAWSB-UHFFFAOYSA-N	507.171	5.083	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	409012559	IVHKHNFILXCHPS-WJHRHOFBSA-N	599.515	5.459	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025226	OEDNAPZDVVHELC-WSEOLZFASA-N	543.645	5.363	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1	409026333	MCQKEYKKRDYXCA-FMFFXOCNSA-N	605.116	5.266	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1	409041126	ILSOHKISTAVQOF-CXUHLZMHSA-N	564.636	7.129	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1	409044958	DVZGNPFYDVDWDV-DEDYPNTBSA-N	548.393	5.107	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	409046551	KOEHFZFNSIPUJK-CXUHLZMHSA-N	548.181	6.614	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409065767	NCNGJIGODNNPKY-XNTDXEJSSA-N	629.259	5.920	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409079045	KKIYMOPGSFSSGE-RCCKNPSSSA-N	523.010	5.699	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccc(F)cc1	409107704	UBEJLVRGGBJBNZ-XMMPIXPASA-N	525.330	5.123	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1C	409173465	NRSOCFXGISDKJR-CBDJKPBHSA-N	618.531	5.961	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)cc1	409175032	YGFHYRKVCRFCOX-XAZZYMPDSA-N	650.313	5.436	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)cc1Cl	409184880	OTUMZWFQUMURCZ-FJEPWZHXSA-N	576.889	6.561	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)cc2c1	409186730	HBWWQSBADGPJDQ-NUJZUDFISA-N	649.279	6.550	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F	409213956	VNCURGRXGGGZMV-XODNFHPESA-N	551.865	6.462	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409219339	LJVCQUNQQZLANC-YBFXNURJSA-N	601.828	5.194	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(C)=O	409223112	GVHWPWMZHHMVOY-ACXHZZMFSA-N	566.010	5.242	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)cc1	409225058	OEZHLXXPAWRMHM-UHFFFAOYSA-N	602.441	5.702	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409226338	VDFXSWCOGRGUGV-MJXLXAJKSA-N	610.932	6.502	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409227988	YTLAALFVSHWEFQ-UHFFFAOYSA-N	606.418	5.966	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1ccccc1SSc1ccccc1NC(=O)c1cc(Cl)ccc1OC	409249539	JOOUMZLZIUUCKT-UHFFFAOYSA-N	585.534	8.315	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409252145	CCPPWMWUGIBTNJ-MUXKCCDJSA-N	569.412	5.154	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccccc2)cc1Cl	409252155	CDYVQEKCKNNAPI-PPDIBHTLSA-N	579.676	5.955	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409255406	KBWJICQXGNUPEB-VHFSBPNMSA-N	684.616	7.723	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1	409259677	CJJBDYVZXSPSPS-UDWIEESQSA-N	538.431	6.572	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409261733	DCYRSFMHYZQGHA-YSYOEVFLSA-N	674.610	8.267	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)ccc1OC	409313547	CIEUPYORNNQDKG-FDVSRXAVSA-N	526.973	5.187	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1OC	409316662	ZFPIFPASVGTZFR-FDVSRXAVSA-N	528.392	5.348	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC	409330443	AGNIMQLGIPSKFF-AAPHRLRXSA-N	675.252	7.492	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1F	409371347	HRPODCYIEADGQV-CHHVJCJISA-N	556.056	8.301	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)c1cccc([N+](=O)[O-])c1	409371399	IKHGSGUPJMAPEG-JMIUGGIZSA-N	507.287	5.714	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(Br)cc1	409371710	KWBDXQDRINWYNJ-YVLHZVERSA-N	564.192	6.845	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)Sc1nc2ccccc2s1	409384017	VUMLZWNFNYBNJK-UDWIEESQSA-N	702.380	8.894	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409392262	OMVWPWIGSFRLQV-UCQKPKSFSA-N	509.562	6.040	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409394086	VKXTYFQLMLFSPX-LSCVHKIXSA-N	530.293	5.990	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409394404	ABCKXLDXJDFGGI-UHFFFAOYSA-N	669.790	9.103	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409396062	VWONEORDLLGBGE-UHFFFAOYSA-N	546.385	7.264	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C#N)cccc4c3-c3ccccc3)cc2OCC)cc1OCC	409396247	IAZRPWGQGLWADP-UHFFFAOYSA-N	616.674	6.886	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409396321	XQXWXZYBUYQTRL-UHFFFAOYSA-N	597.285	8.432	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409397089	GANQNBJQMIBQAQ-UHFFFAOYSA-N	577.562	7.990	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(Cl)cc1Cl	409404624	QLELZMABJPDSMY-ADJDCTSUSA-N	744.413	8.529	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc(C)c1	409405738	UZZPYNKBGRXXOW-UHFFFAOYSA-N	563.654	6.926	50	40	KKGB	
COC(=O)COc1c(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	409406014	VSMITHYPILYTLM-IBBHUPRXSA-N	610.461	5.353	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	1529547965	SUDIATOTZKOONY-AJXABOPQSA-N	672.547	5.366	50	40	KKGB	
COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(O[Si](C)(C)C)=C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C	1542980463	LLDQVINTBNWOHR-FFDDHYOVSA-N	591.038	9.580	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccco1	1067737	QGOUZNDQMXZMJM-RUZDIDTESA-N	535.025	5.648	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1O	2353626	SQXZSCYBFYDAAC-UVHMKAGCSA-N	528.421	5.198	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccccc1Br	2675425	HXHGXYBECBZQGZ-WKULSOCRSA-N	539.426	5.638	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@@H](c3cccc(Cl)c3Cl)Nc3c(Cl)cccc3[C@@H]2[C@@H]1Cl	8426241	PETWMMKMJJBZEY-YCARSWKPSA-N	540.299	8.594	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)NC23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1	11027004	GICOFILPJAFQFK-COWPAWPJSA-N	515.742	7.658	50	40	KKGB	
CCCCCC/C(CC(=O)CCC(=O)NCCc1ccccc1)=N/NC(=O)c1ccc2ccccc2c1O	17195787	QHFXLZUKKOVVET-IVQJCJPDSA-N	515.654	5.700	50	40	KKGB	
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1	20573157	CSQNVSHYQLGMOS-RNWIMVQKSA-N	520.633	5.953	50	40	KKGB	
CCCCOc1cccc(-c2cc(C(=O)NN=C3CCN(Cc4ccccc4)CC3)c3ccccc3n2)c1	20594841	FWQZNIHCOWKOPX-UHFFFAOYSA-N	506.650	6.463	50	40	KKGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)c(Br)c1	30902119	FKOAFKPVHADEMT-WKIKZPBSSA-N	515.791	5.468	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C(F)(F)F)cc3)n2-c2ccc(C)cc2)cc1	97959500	CVSVXXQWEFQSII-MNDYBZJGSA-N	525.556	5.513	50	40	KKGB	
ClC1CCC(/N=C/C2CCC(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)CC1	97983533	IYQAFZFHCBDKKQ-IWBSIUBASA-N	503.070	7.344	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999830	XWOMXRZUEIPTSN-MGBGTMOVSA-N	609.748	6.688	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1	98001460	OGPGJWJKBWSODZ-RUCUWCHBSA-N	647.529	5.303	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048734	UGJRMNBCDIZTAA-GDLZYMKVSA-N	554.672	5.724	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)N(c3ccccc3)c3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048743	IMDQCLDNJGWUNZ-MGBGTMOVSA-N	602.716	6.834	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1	100133849	HQDIVOCDFHVNEP-RQXXSLPSSA-N	569.108	8.636	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	100197727	VYVXLVBOMHRWAT-KCSSXMTESA-N	589.442	5.121	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccc(C)cc2)cc1OC	100303930	JYAQTEHHTQPCNH-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)CS/C(Nc1ccc(C(C)C)cc1)=C(\C#N)c1nc2ccccc2s1	102930961	DAMCKTVUDMOGJO-QCWLDUFUSA-N	540.758	8.221	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccccc1	102935034	XRMDDFNFKXYDEV-VCHYOVAHSA-N	538.354	5.586	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(C)c(C)c2)cc1	103901198	GFJPGCPISBYPRQ-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl	105937479	GDVXFFXGWRGGQZ-ROTLSHHCSA-N	565.751	5.204	50	40	KKGB	
CN(c1cc(C(F)(F)F)cc(Cl)n1)N(C(=O)c1ccc(Cl)cc1)C(=S)Nc1ccc(Cl)cc1	107628485	PYUFVAHKJNAUGU-UHFFFAOYSA-N	533.790	6.951	50	40	KKGB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CSc1ccc(N(CCCl)CCCl)cc1	118934996	IIAURZWRQXTDJL-IPBIEMBJSA-N	594.645	5.866	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](Cl)CCl	150341005	RLDABADEUSXHPC-REOHCLBHSA-N	717.034	9.383	50	40	KKGB	
CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341187	VOUMQZKGHVBEGO-BYPYZUCNSA-N	852.101	10.776	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)c(Cl)c1	164741546	WONQMAFISHRKKU-CHHVJCJISA-N	648.111	8.038	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)c(C)c1	216040615	ZFJDVSVZDFWUNP-VYYCAZPPSA-N	530.260	6.100	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408533501	SSCYHGMZMUAHCC-MZJWZYIUSA-N	562.258	5.718	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538338	LGJCSSDZBAYAJR-VEILYXNESA-N	548.639	7.106	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C	408547195	UOVVVFKAVCFQDH-UDWIEESQSA-N	641.496	6.378	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408569010	LXSWXYKDJJLYHA-VFLNYLIXSA-N	795.300	7.245	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1OC	408579616	IRHGNUGGCVRUCE-GIJQJNRQSA-N	547.218	7.011	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408599126	OYWALIWKLFDGDN-IPPBACCNSA-N	623.183	7.615	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3cc(Br)ccc3OCc3ccccc3Cl)CC2=O)cc1	408611409	WFABZYMDWIBVPL-IBGZPJMESA-N	542.861	5.740	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408614269	AKBILFXBXUORQG-MZJWZYIUSA-N	530.806	5.169	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408642783	NVRKIZKQJYMCKR-MJCUULBUSA-N	663.165	5.639	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408670648	ITMLDDKDSVUENP-FZKCQIBNSA-N	570.665	5.027	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)c3cccc(NC(=O)[C@@H]4[C@H]5C[C@H]6[C@H](OC(=O)[C@@H]46)[C@@H]5Br)c3)cc2)c1	408685327	PBAYJYPOUPXKQF-FHRWRSIDSA-N	603.513	6.673	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	408712058	XQZYQKCZSZLVDJ-DICXZTSXSA-N	640.259	5.566	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2cccc(Br)c2)cc1-c1ccc(-c2ccccc2)cc1	408724044	CYOFWXORTIHDCG-UZWMFBFFSA-N	535.445	7.041	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)NCc1ccccc1	408747488	OQWPHNIFFAAMGS-OCKHKDLRSA-N	571.225	5.922	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)C(=O)Nc1ccc2ccccc2c1	408761400	DYPFOKDHXWHMTJ-PXLXIMEGSA-N	573.390	6.008	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1	408761759	LFRUXOWSVHSEGK-QGOAFFKASA-N	527.396	5.080	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OCc1cccc2ccccc12	408764535	UMXHPNKPBPQQMC-JRODBUQKSA-N	699.611	6.184	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408769692	ZJPBWGDSUTWWTQ-STZFKDTASA-N	568.899	7.082	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccccc1C#N	408788508	KMIBEZKLLGFKEJ-RGVLZGJSSA-N	565.367	5.392	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1	408790714	RBVRUUGMLPBIEL-OMCISZLKSA-N	540.661	8.387	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I	408790813	ZDDUTRNLHSMTIX-LZYBPNLTSA-N	630.220	5.000	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1cccc2ccccc12	408793746	QCYHXUXYZGDOIX-FYJGNVAPSA-N	529.390	6.441	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408799427	ZBRFIXFZUGFVJM-LICLKQGHSA-N	576.672	6.998	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408824720	HJOHRCMUHIOCRC-WGOQTCKBSA-N	678.954	8.355	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(C)cc2)cc1	408827572	KSNCAPQQQCBICT-BIZUNTBRSA-N	594.158	6.295	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccccc1	408832976	RCZBAHKLYQGSBJ-NLRVBDNBSA-N	539.031	7.442	50	40	KKGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408836970	XJGUOWPBGODDTH-PMNVOCJDSA-N	668.386	6.051	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cccc(C)c2)cc1	408840417	FXCRPZYMSTXLQX-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408844466	TTZBJAZMIWKZLS-QXUDOOCXSA-N	514.650	7.372	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2cc(Cl)ccc2C)cc1	408845699	YXPQJNIOELEVHM-QLQYKETESA-N	612.151	7.035	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl	408846729	YUCSOOBMYXNTNV-IPBVOBEMSA-N	529.371	6.470	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1cccc2ccccc12	408850332	LOASZGUBWGVHGM-MYYYXRDXSA-N	580.482	6.937	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408860071	XTKVFIFRWHBXFJ-MWLSYYOVSA-N	567.281	6.750	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1cc(Br)ccc1O	408875924	HXHVJSNYTAEHPZ-RQDBVZEMSA-N	671.345	5.884	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408876110	MXIJIDZKWVDQNA-KEIPNQJHSA-N	606.144	6.605	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC	408877266	UQZSYPHSWRXRIH-CCVNUDIWSA-N	594.915	5.082	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1OS(=O)(=O)c1ccc(C)cc1	408879197	BZSMYOKTHPCULA-NBVRZTHBSA-N	527.396	5.080	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408883134	RPGFHTXOPUZCKV-LFVJCYFKSA-N	633.520	6.659	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1cc(C)cc(C)c1	408893643	HIOZNZCQNJOZPZ-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
O=C(O)c1ccc(COc2ccc3ccccc3c2/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	408904741	NVFRGMQXDNJYBO-FDVSRXAVSA-N	509.474	5.535	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2I)c1	408925025	RTAALKSWOWYCEI-LUOAPIJWSA-N	665.096	6.854	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12	408938940	MKOHAWUWWVPKBS-MUFRIFMGSA-N	526.445	5.488	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12	408968959	DRMMNNJCFUHGOY-OYHXPLICSA-N	670.593	7.379	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	408982050	XKSUQJJRTVBTKA-LUNPLWTBSA-N	572.643	5.042	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408983387	LUJDOQNVGRGATN-OCKHKDLRSA-N	617.827	6.685	50	40	KKGB	
O=C(COc1ccccc1Cl)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408999954	LXTSARCRERRJRI-BCHBDCPOSA-N	690.659	5.356	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1	409002685	PBURLTCMYWXRRC-FDAWAROLSA-N	572.415	5.693	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409024070	TVIKKBGLXPBAHL-QJOVZPHJSA-N	532.688	6.639	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	409047589	OTLLNNSVAFMLAA-MHWRWJLKSA-N	610.711	6.487	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(C)C)c(Br)c2)c(C)c1	409057002	OGPUJYBYHAONED-CAOOACKPSA-N	506.238	6.409	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)Cc2c(F)cccc2Cl)cc1	409059348	MONSSWKRKKHUEN-DPNNOFEESA-N	580.081	5.708	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(C)cc2)cc1	409059652	WEOSRKWRIQLGBI-WOJGMQOQSA-N	545.400	5.402	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(O)cc1	409067665	QNLDLDPXLYNENC-XNTDXEJSSA-N	578.238	5.231	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409067949	RNWKRPCXOAVJFZ-CJLVFECKSA-N	537.037	6.089	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409071120	DQCCHAWHOBQAOP-XNTDXEJSSA-N	519.362	5.021	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(C(=O)O)cc1	409076169	YZJTZMJWZRPZQG-VCHYOVAHSA-N	551.340	5.517	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409089205	YQWXKHIOZGXICQ-AWNIVKPZSA-N	567.263	7.167	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1cccc(Cl)c1	409130239	MFEHKQGIENMTQD-QFIPXVFZSA-N	513.775	5.614	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409137348	VYJHBGFASITBRS-RUZDIDTESA-N	635.386	6.726	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Br)cc1	409217425	USLOXUWMPBDUAM-XODNFHPESA-N	568.320	6.976	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c2)cc1	409224442	LMJQBJFPIBAYGC-UHFFFAOYSA-N	625.306	7.300	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409226993	WWJCHAWEJLGQRE-UHBFCERESA-N	587.932	5.392	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409242747	YCWDIHBRICPJNA-HAHDFKILSA-N	564.436	5.991	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	409245001	LZLPGRZQGYNCKR-NVNXTCNLSA-N	541.320	5.354	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C	409257981	VTWZJXVHKHWEQF-STZFKDTASA-N	503.986	5.919	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409258042	SVJQSHCKKBRJDW-KGENOOAVSA-N	548.437	6.028	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)c(C)c1	409263049	GRMUXHBZVSVIFK-XDHOZWIPSA-N	538.829	6.283	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2)c1	409269874	AMJNUJUJORQOGJ-MWBNBJEGSA-N	610.139	7.605	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409303239	MPDVRYNFZRCKIJ-DXJNIWACSA-N	560.628	5.123	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1OCC	409311704	HLHPWVQIMPRHTP-LJUMEUDFSA-N	571.443	6.293	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)cc1OC	409325840	BVDJTYDCKDBYIL-NUJZUDFISA-N	610.730	7.005	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1OC	409331451	DFPDRENGVLTSTO-ZMFRSBBQSA-N	548.231	5.572	50	40	KKGB	
COc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)c1OC	409367686	ICXRTBCBMNRHIC-CPDSRJINSA-N	578.518	5.277	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2OC)cc1	409375818	POPJXAZKVQTBNT-LICLKQGHSA-N	604.379	6.048	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	409380218	KSIHVLRKORJFPP-DEDYPNTBSA-N	534.410	5.638	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409385585	LPAYUGWJKKALQG-RPPGKUMJSA-N	591.814	6.410	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(c1ccccc1)c1ccccc1	409392000	MPNDTHQYRYZLHW-BJUCDSOZSA-N	647.194	8.380	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409394814	GHBZAKNRNSBUEM-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409394962	IDAAKSHRQVTRBE-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395714	QWZFUJXPXPPEEP-UHFFFAOYSA-N	767.858	8.547	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397633	MDKCVAVAAIBLGI-UHFFFAOYSA-N	622.859	6.844	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1Oc1ccc([N+](=O)[O-])cn1	409398051	BLODPZAXPIBSQT-FZPRHHONSA-N	581.585	6.134	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409398892	WFZVKTUIFUVVNZ-UHFFFAOYSA-N	504.502	5.291	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	1529548324	CPZWYJAEFOOTKC-CKMXFPERSA-N	740.891	6.873	50	40	KKGB	
CN([C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C	2325712224	BRPXMMWNFBEZDO-DFABAFTESA-N	607.740	7.013	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Br)cc1	8456077	BJEHRSKOMNIVNU-GDLZYMKVSA-N	663.956	7.539	50	40	KKGB	
CCCCCOc1ccccc1/C=N/NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1	12419873	PFMLFKVVNMPSFU-MWAVMZGNSA-N	521.683	5.725	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(Cl)c3)NC3=C2C(=O)CCC3)ccc1O	13189324	KKOBUURFYYLXSH-DEOSSOPVSA-N	510.015	5.164	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1	13553105	HOBPKWSWQZYDMF-COEJQBHMSA-N	513.667	5.873	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	27500035	WLRGZZYKXVGSGY-ATZGPIRCSA-N	519.004	5.961	50	40	KKGB	
O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C/c1cc(Br)ccc1OCc1ccccc1	33353264	ALHCZOGFZCTWGB-KBVAKVRCSA-N	540.421	5.590	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccccc2C)cc1	58915459	IOUDCPSVAKMYLP-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3sc(N4CCOCC4)nc3-c3ccccc3)cc2)cc1	97980809	DKODHHBFOWQDJV-QNKGDIEWSA-N	554.716	6.287	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(I)cc1	100029958	UQMYRRIEDPGEOU-CVKSISIWSA-N	602.281	5.334	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	100040532	XFNJRTLCFFBJIC-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1	100903641	BVAKQILYKFWWLP-CKVBZJJFSA-N	538.854	6.167	50	40	KKGB	
CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4[nH]3)c2)CC1	101160420	NAECZGAJXQSUQN-MOHJPFBDSA-N	548.672	5.900	50	40	KKGB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccccc1Sc1cc2c3c(cccc3c1)C(=O)OC2=O	102570275	YSXVIXGQKWMCIK-PCLIKHOPSA-N	533.609	6.637	50	40	KKGB	
FC(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528794	PFAGPLPEUQCIGL-REOHCLBHSA-N	541.995	6.481	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccccc1	103842115	BUDZSFHFCLTOLW-XKZIYDEJSA-N	530.422	5.784	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)cc1	103882972	QYYVCMUJECMXJT-HAHDFKILSA-N	550.884	6.246	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)cc2)c1	103896827	NHMYXNHSWSXATF-HPNXWYHWSA-N	623.731	6.090	50	40	KKGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	103898549	FXVYCTUFVFRGPX-JWHWKPFMSA-N	610.736	5.237	50	40	KKGB	
Cc1cccc(/N=N\C(=N/NC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)c1	104316891	HBTHNMAFDAJNEY-MCJNZCSVSA-N	528.016	6.172	50	40	KKGB	
N#C/C(=C\c1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2	104882355	QIYCDBAFVFLGGX-DEDYPNTBSA-N	544.405	5.435	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(C#N)c1C	107826472	SWHXBLRNHNPGIP-RIYZIHGNSA-N	554.378	5.754	50	40	KKGB	
CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341370	BTNDMOOFEQPQAL-VIFPVBQESA-N	722.208	10.185	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c1	150386078	CQIIEYLAMKDFEY-RGVLZGJSSA-N	634.255	6.637	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C\c3cc(Br)cc(Br)c3O)nnc2-c2ccc(C)cc2)cc1	150408805	AKNYSTIGILBDSS-QDTIIGTASA-N	631.350	5.724	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Br)cc2I)c1	150416586	NVQZWTWWHLPIGA-CAOOACKPSA-N	744.121	7.000	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	150478620	GJJHXODJTDGMNZ-MWBNBJEGSA-N	632.060	6.292	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795373	VCJLHEWEWDNTIE-VXGBXAGGSA-N	858.168	11.431	50	40	KKGB	
Cc1cccc(P(c2cccc(C)c2)c2ccc3ccccc3c2-c2c(P(c3cccc(C)c3)c3cccc(C)c3)ccc3ccccc23)c1	195969421	MJRVUGAHDHEPEL-UHFFFAOYSA-N	678.796	10.410	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	216062560	BEUJLRBVHBXKHK-JFLMPSFJSA-N	542.386	5.498	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccc(Cl)cc1	408541006	ASRNOJXCPCCTSY-NVMNQCDNSA-N	541.785	5.934	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c(C#N)c1C	408546841	OLJVOBSYUTXSLB-MHWRWJLKSA-N	509.381	5.846	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c(C(=O)OCC)c1C	408547496	YGPMJCWEURSYLW-RGVLZGJSSA-N	660.970	7.132	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551947	PLSGPSDRHZIXLU-FRKPEAEDSA-N	577.320	8.237	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408553155	YAYUHHFRRQURTD-VCHYOVAHSA-N	549.008	6.193	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1	408604410	INUUAMGZOWZSQT-SFHVURJKSA-N	514.409	5.467	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408643814	GMPYORBVDQEDQW-MCBCHBBLSA-N	549.813	5.177	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408650134	ZNQOHPHWAJRAOD-LRMKFPBYSA-N	645.175	5.852	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408711718	HMRVBHDEMPPXBE-LGJNPRDNSA-N	671.229	5.546	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408725091	GYQHQTJMHBTWDI-IUXPMGMMSA-N	627.693	7.775	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)OCCO1	408728633	QJYBUTIKENVQHI-KIBLKLHPSA-N	581.088	5.701	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745685	OFVVTAGAXNOXLH-SXGWCWSVSA-N	591.643	6.898	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1	408747558	POJSWIXOFIHXEM-QFEZKATASA-N	527.418	6.413	50	40	KKGB	
CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2)cc1	408761906	IFZGHRZCYCNDLJ-XMHGGMMESA-N	567.383	5.253	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408764901	NRJNLUJHWWNBLZ-OEAKJJBVSA-N	591.483	6.623	50	40	KKGB	
CC1=CC(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1	408784172	TXPLJXJMEXLNSH-YSGLVZJUSA-N	515.657	6.424	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408788843	MKZPKNBPJMOGAZ-YBFXNURJSA-N	522.355	5.799	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccccc1C#N	408791751	BYIVCNLKCUCVAV-UFFVCSGVSA-N	550.840	6.806	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)c(C)c1	408812139	BJWBDGDOOUPVPG-WKIKZPBSSA-N	508.372	5.462	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)c1	408827320	IUUOBXUIOLWRDY-MUFRIFMGSA-N	558.443	5.608	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	408832607	XYRFOPUSPOTRJX-ATZGPIRCSA-N	589.039	6.112	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccccc1	408832612	XZPFZBAJNRZZPX-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1cccc(F)c1	408837999	BGSYJLVMMNICHR-QNVXDBMFSA-N	665.972	8.460	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccccc1Cl	408838925	KILNBUZIYCYYJQ-KULFSUQXSA-N	743.454	9.207	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccccc1F	408840228	CPZBAPHJLMXWPY-HBHSWBPBSA-N	651.480	7.478	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(F)cc1	408841165	IBEHYZSPESQABO-IIHBXENTSA-N	684.453	6.930	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4ccc(Cl)c(Cl)c4)cc3)cs2)cc1	408842937	KNFPRTQAPFPNEM-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)sc2c1	408844388	OFQSRJBUPICGPS-RPPGKUMJSA-N	537.941	5.696	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408847333	VBQRDAMPUCPZJN-YPXUMCKCSA-N	700.262	6.206	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)ccc1OCc1cccc(Cl)c1	408859171	MJKVGZITXOQJGS-GUBAARJWSA-N	597.159	6.399	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(C)c1	408860279	ZVVLOOKLSALRRL-GKVNEZTPSA-N	622.563	8.265	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408863343	MAKWYJLWZLCVIX-BIZUNTBRSA-N	623.573	5.909	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c2ccc(C)cc2)cc1Br	408864443	VTUDJLNAQBRTNZ-XJECJHNESA-N	765.908	7.115	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c2ccc(C)cc2)cc1OC	408868196	OBVYMDVDOLICRH-MWBNBJEGSA-N	717.038	6.361	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1C	408872789	IWDODIBDNRJWMX-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408875902	HUIIGZHLLABMMG-DHRITJCHSA-N	547.203	5.392	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408878079	ZJPNFYUMWXNLAC-ZTCVVROCSA-N	599.161	6.830	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OCc1ccc(Cl)cc1	408883417	VDCJHCKVLHXLHV-WOJGMQOQSA-N	544.776	6.078	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c([N+](=O)[O-])c1	408887468	QWXAQDBZWIFAPY-RQZCQDPDSA-N	516.768	6.988	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1cccc(I)c1	408887652	QCDLNRHNAMYYKK-ZMOGYAJESA-N	549.162	5.037	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	408889829	JPMWGRLOQHUZGW-VCHYOVAHSA-N	542.375	6.434	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1	408891707	BSEGTDHAWJUJAD-UVHMKAGCSA-N	564.807	5.613	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408896489	RLAZXJNHQGBINV-LDADJPATSA-N	531.417	6.014	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)c1cccc(Cl)c1	408898705	MGGJMBXLGUGQRC-RWPZCVJISA-N	507.771	6.239	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	408945660	XLMMGEKLAXFEMU-OCSSWDANSA-N	562.063	5.008	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2C#N)c(I)c1	408949366	QTLWSNFPXVBCQA-NDEPHWFRSA-N	835.462	5.231	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)c(OC)c1	408950252	GSRNXGUDASHTAJ-CKRMDNAKSA-N	730.410	5.519	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	408969553	PZSDLXRFISFJRB-YWNCOAFESA-N	624.952	6.871	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2C)cc1	408976635	BLKOPUOETHENPF-LMLUNKDASA-N	536.632	5.282	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408979546	MSEXDEIDNKBXSS-AWLRXGSOSA-N	556.460	6.040	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(C3CCCCC3)cc2)c1C)c1ccccc1	408982895	ZQTFNTISHFVWKP-PUFQGMHOSA-N	514.670	6.469	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc2c(c1)OCO2	408985162	VYLOEIANTRFACC-QGMBQPNBSA-N	511.361	6.164	50	40	KKGB	
CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	409014574	NBPPKZPVICAWJT-BXPUGBIQSA-N	546.849	5.423	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409021554	NDSVOHIWKDWAHT-MNDYBZJGSA-N	626.407	5.254	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409023687	BXJNIJGYNWUGAV-STBIYBPSSA-N	562.475	5.303	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409042743	OQSJTGFWOTUHBB-UDWIEESQSA-N	581.410	5.480	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12)C(=O)Nc1ccccc1	409046678	LDOUUKGCTOSUMC-FYJGNVAPSA-N	562.261	7.489	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)cc1	409047052	MISCJKSPZQPJRA-LZYBPNLTSA-N	522.215	7.433	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccc(Cl)cc1	409095172	HFBQAOSEELQHOF-DEOSSOPVSA-N	602.812	5.869	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409114775	QGAVZOPBQZAHKI-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC	409115797	KRUZDFDHINQUOS-WKULSOCRSA-N	564.491	5.050	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1	409119046	PHYUMJLYKMPCGL-JEPNHJGPSA-N	656.588	6.715	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1cc(Cl)cc(Cl)c1	409125964	NKIQAXJWCILRKF-MHDJOFBISA-N	631.513	5.657	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(F)cc2)cc1OC	409140473	FKGDDYDHEQKZNR-QLQYKETESA-N	627.694	5.921	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2c(C)cc(C)cc2C)cc1	409155507	QEMXEJGBJARGJV-VTNSRFBWSA-N	609.521	5.660	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1Cl	409171272	ZTVVPEGBMQCQHW-OKCVXOCRSA-N	528.436	6.149	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)/C=C/c1ccccc1	409217991	GPODXKIWVMWPPR-SGHFQBGPSA-N	554.002	5.984	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409239838	QTOKGNPCQMZJDP-QNGOZBTKSA-N	562.573	7.718	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(N)=O	409251081	OFEFRXXOMYMYFD-AQLQTECXSA-N	564.067	5.542	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	409254708	YCQDIXYWYYWNRP-MFOYZWKCSA-N	614.250	5.991	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccccc5)c(Cl)c4)cc3)cs2)cc1	409258045	SWDXSMUZIDMGGA-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)c1	409260018	JIHPQSJQUCDNBN-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409261853	DOUZZADLKXEYSB-SXGWCWSVSA-N	541.347	5.473	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409272380	PWQJUSJDAWUYOR-WSDLNYQXSA-N	595.437	5.158	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1OC	409305576	WAJGYXJALBRFOV-FDVSRXAVSA-N	619.310	5.790	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1OCC	409310289	TZWRKSBSKYWSLA-NUJZUDFISA-N	594.275	6.491	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1OCC	409320366	AWFQACWYMTZBBA-MWLSYYOVSA-N	543.845	6.409	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)ccc1OC	409324760	VIWAIGVVEVIBAI-ULPWCQAASA-N	631.148	7.269	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1ccc2ccccc2c1	409372744	ILCATSYMGFCVKN-ALQBTCKLSA-N	583.482	7.506	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Br)c2)ccc1OCc1ccccc1	409379933	CMZRDZDEEZLDMU-HQDYHJHZSA-N	620.475	6.347	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1cccc(C(=O)O)c1	409385319	JJPFLAALSYWZAM-XODNFHPESA-N	598.431	6.012	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409396196	WZQLMDPTQQEUSQ-UHFFFAOYSA-N	670.869	8.261	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409396236	XFNSXYFGTURHAE-UHFFFAOYSA-N	722.346	7.268	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409398902	WHUISWGLWGDAJH-UHFFFAOYSA-N	545.639	7.142	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409399017	XKJRCWZKUUPZKL-UHFFFAOYSA-N	571.033	6.529	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OC(C)C	409404200	PHHONNOOGHVESP-BJUCDSOZSA-N	628.951	7.632	50	40	KKGB	
BrCCOP1(OCCBr)=NP(OCCBr)(OCCBr)=NP(OCCBr)(OCCBr)=N1	1083812957	OLGAINHITQAJTP-UHFFFAOYSA-N	878.685	8.308	50	40	KKGB	
O=C(CSc1ccc(/C=N/NC(=O)c2cccc(Br)c2)o1)Nc1ccc2ccccc2c1	3085328	DUBUTJQJHZXTPP-VULFUBBASA-N	508.397	5.690	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)ccc1OC(=O)c1ccc(Br)cc1	3090283	DETKVSOQEBDRKW-OKCVXOCRSA-N	532.394	5.392	50	40	KKGB	
Cc1cc(I)cc(C)c1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1	8396584	OKOCYAGMPSBWQK-KGMPCQRLSA-N	623.241	5.411	50	40	KKGB	
CC1(C)[C@@]2(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC[C@]1(C(Br)Br)[C@H]2Br	8441037	PFEVRJZRRMNYTD-YSGRDPCXSA-N	567.135	5.160	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1cccc2ccccc12	9200900	RSAXLFPAYBXONR-OCSSWDANSA-N	517.423	6.652	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1	12250178	UCVVWMMDSHHIHQ-AREMUKBSSA-N	502.039	6.617	50	40	KKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	14152273	JLQLMCPTEGBFLO-XSFVSMFZSA-N	521.602	6.264	50	40	KKGB	
c1ccc(C2=NC(c3ccccc3)=NS(S3=NC(c4ccccc4)=NC(c4ccccc4)=N3)=N2)cc1	18251639	XTVXNYSKICLJIY-UHFFFAOYSA-N	504.644	6.150	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(C)cc2)cc1	20059496	PLGFOKKILXJKPG-TWKHWXDSSA-N	513.619	5.163	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccc(C)cc2)cc1	20232235	NTEKFBYXCFHFCO-JFLMPSFJSA-N	520.438	5.046	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccco2)cc1	27528014	SCCZJGKZAFSXFU-OGLMXYFKSA-N	507.999	5.401	50	40	KKGB	
O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2oc(-c3ccc(Br)cc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1	79210138	JZKYEAREDUXDFH-LMSSTIIKSA-N	673.571	6.509	50	40	KKGB	biogenic
CCN1C(=O)/C(=C/c2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)SC1=S	96022418	VQMGHEZAARFLKH-SLMZUGIISA-N	524.651	6.717	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1	97960767	JBCIUFOQRSAZOM-SGWCAAJKSA-N	572.506	8.682	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	97962909	VVUMIDVQRGCZOT-LQKURTRISA-N	553.434	5.451	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccc(C3CCCCC3)cc2)cc1)c1ccc(C2CCCCC2)cc1	97965664	USAUIDNOGGADIG-USKKBRKXSA-N	562.758	8.090	50	40	KKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cccc(I)c2)cc1	100045000	GWFMROORNZXXGR-LGUFXXKBSA-N	506.428	6.575	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)Cc2ccccc2)cc1	100070330	YVEJPLPGGXHWDL-FZPRHHONSA-N	626.566	5.701	50	40	KKGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(F)cc1	100096601	HUMREEZDKFRXAR-VOTSOKGWSA-N	540.251	5.272	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100124229	PBZRLVQSYNSMKQ-STBIYBPSSA-N	566.039	5.001	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(F)(F)F	100129322	DCFAXLOFVHCIQO-DLCNMLRHSA-N	603.066	6.108	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100223812	LWFQAVNJFNLXRD-JWGURIENSA-N	564.038	6.317	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1OC	100852564	AIUISHVJPNZIKR-UHBFCERESA-N	562.717	5.284	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(Br)cc2)cc1	100989324	GVPLNWKMTNRREO-FYAMCCBRSA-N	532.463	6.131	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(F)c2)N1	102808650	WSLKSMDJBDOCJD-SANMLTNESA-N	533.028	6.186	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1	103888065	IRVXDKVRIAMPBL-UQQQWYQISA-N	540.461	7.290	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889352	WJJIMGFXNLIYJC-YVLHZVERSA-N	546.204	6.579	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc(Cl)cc1)=N/NC(=O)c1cc(Br)ccc1O	104316809	RVSWLNFGCUWUED-WRPYJIPYSA-N	608.884	6.326	50	40	KKGB	
C[C@]12CC[C@@H](OC(=O)N(CCCl)CCCl)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OP(=O)(O)O)CC[C@@H]12	118928893	AZSRKOWMDNSWGA-GCAQEVDCSA-N	540.465	5.792	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341849	VRLWJBODVUOCAK-LJQANCHMSA-N	1012.500	15.992	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795340	NNVGFXOHGHSGEY-NXEZZACHSA-N	730.100	9.380	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@H]3ON=C(c4ccccc4Cl)[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	245318976	YMVIZMMZCSLVDC-HVNNKXBISA-N	648.079	7.474	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccc(Br)cc1	408530385	LQCJENXENSTALM-MTJSOVHGSA-N	692.132	8.455	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OCc1ccc(Br)cc1	408533439	SFOGUSDFSLHIRY-XODNFHPESA-N	608.274	5.512	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408542343	KWUCHUZAHUZDBH-IDUWFGFVSA-N	531.779	6.478	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(F)cc1	408548388	HLSMTQMQFAQWEL-FMCGGJTJSA-N	535.356	7.235	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1	408553854	PWVMVUTUNOEINC-RAWMCFOBSA-N	521.744	5.336	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408567927	GXLVOCAHJQJOGR-PXNMLYILSA-N	570.318	5.867	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408567947	HBUGSDPRKARMTM-JFLMPSFJSA-N	543.508	6.036	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1	408612487	VPTIWJGMROBHKW-MUFRIFMGSA-N	514.409	5.840	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408642785	NVRKIZKQJYMCKR-SSTJLMRISA-N	663.165	5.639	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccncc1	408725361	HNRJNPZEDSQTQC-OPEKNORGSA-N	523.612	5.603	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C\c1cocc1-c1cc([N+](=O)[O-])ccc1Cl	408738907	WYELCSOKFFHCKF-KDUAFSNCSA-N	559.022	5.931	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1O	408744521	YIQURFVVPZDESQ-STKMKYKTSA-N	501.586	6.680	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408748529	DORCMPSTZOGEGH-STBIYBPSSA-N	614.461	5.683	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)cc1	408753044	HFXCVQBSOKGNMH-ZDLGFXPLSA-N	590.699	7.388	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408759293	BODBVYVBGBSIKU-ZSOIEALJSA-N	597.230	5.977	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Br)cc1	408759494	GABDMFHNYHQLGQ-LGMDPLHJSA-N	510.775	5.666	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408765493	XVDQGEVEWZHVFP-PTNGSMBKSA-N	518.334	5.215	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(F)cc1	408768856	KKCYFSZCEUXNEV-WQRHYEAKSA-N	576.793	6.607	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1	408771034	DQIQANUTMXYTAW-JCMHNJIXSA-N	581.454	6.271	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1C#N	408787345	YFCDXCCSYYROFY-IMRQLAEWSA-N	567.487	5.884	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408788639	LUWNOYPWZJENFE-BUVRLJJBSA-N	559.449	7.706	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)c1	408794545	SNPQNGBVUNZTOH-UFFVCSGVSA-N	565.265	6.825	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c(C)c1	408795991	WUTVBHRMJQCQDE-RGVLZGJSSA-N	506.356	6.099	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(I)cc2)c1	408797236	QNFRBSCHNNCRSZ-KGENOOAVSA-N	508.359	6.033	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408828596	NDEBFRNZPMDJQC-WPWMEQJKSA-N	759.438	9.228	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc(Br)cc1	408834495	VDHJEQXAQBOBBF-WGOQTCKBSA-N	723.405	8.465	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408839617	USQVWJVPDZABFA-AMVVHIIESA-N	738.776	7.192	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841016	FCNXYTCMYKMIOO-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)c1ccccc1	408842234	JIJUTUBGPFVUTR-QXUDOOCXSA-N	597.624	5.347	50	40	KKGB	
O=C(O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408842318	KFHJDDWNIFMRDV-VPUKRXIYSA-N	575.861	6.741	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1	408847032	LCXDJTMXVDLPLG-UHFFFAOYSA-N	523.420	6.271	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc(Cl)cc5Cl)c(I)c4)cc3)cs2)cc1	408848005	WMOVMILJOWHGDG-IRWBXMRWSA-N	792.324	9.879	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408852214	DKSUZBPWASKPLO-ACXHZZMFSA-N	580.866	6.184	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408859756	YTURZPUZQGIIEP-MUXKCCDJSA-N	536.253	6.426	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)c2cccc(Cl)c2C)cc1	408861781	DCLNUMDFNXHCCU-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1Cc1ccccc1Br	408869242	RPMZEBBZUJBURE-CIAFOILYSA-N	568.309	7.364	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1	408871362	XWLJCHZSUICODT-ZMFRSBBQSA-N	532.232	5.872	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408877218	UIUOJPYHDUHVAW-JFLMPSFJSA-N	546.259	5.882	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccncc1	408878070	WFCUJZPGGUAEGD-GATIEOLUSA-N	617.612	5.287	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1	408878904	DPGZLJBASYBQKJ-KEBDBYFISA-N	618.855	5.773	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(I)c1OCc1ccccc1	408881257	KJNBHDKIPAALNF-YBFXNURJSA-N	599.381	5.731	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)c(OC)c1	408882240	LYEQDMPOEDTTTH-DHRITJCHSA-N	604.444	6.264	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccc(Cl)c(Cl)c1	408886085	DDPMHURAVDYFLB-VCHYOVAHSA-N	639.171	8.350	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)c([N+](=O)[O-])c1	408888597	XQSKKNVYASENDC-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408891141	MFCLIOARSQGGJV-MZJWZYIUSA-N	576.121	5.667	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1	408892250	YFQFPITUJJXCKE-CIAFOILYSA-N	521.411	6.208	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408893559	GVXIJPKTQPSFMU-KEBDBYFISA-N	596.854	8.232	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(F)cc1	408925882	UPNVAOPDYNGROY-GIDUJCDVSA-N	550.757	6.827	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1	408964331	QUQSZMBPLUYSGZ-KVSWJAHQSA-N	521.289	5.509	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)ccc1OC(C)C	408969417	NIZFEKRWFXHYLN-IYIQFSFFSA-N	587.342	5.992	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1	408983562	MIUWFCKEYYLVMP-NVMNQCDNSA-N	546.248	7.198	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1	408993558	WEGPOKPWLSOMMN-SEJIEREQSA-N	609.689	6.581	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1cc2cc(Br)cc(I)c2o1	409017347	FVXRVLKAVUYTAC-IPBVOBEMSA-N	779.992	7.510	50	40	KKGB	
CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409031348	ADHXWOCMGVTIIV-MUFRIFMGSA-N	521.042	6.768	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1cccc2ccccc12	409033278	KQDZEHSEBAQRGB-CKJBABAKSA-N	547.658	8.126	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c(C)c1	409038674	AOAPKCBONDYITH-VXLYETTFSA-N	585.252	6.861	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1	409042670	CCEGILOHEJRHAS-CXUHLZMHSA-N	564.636	7.129	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)ccc4OCc4ccccc4)cc3)cs2)cc1	409048768	PATHEZCJSSTUAZ-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	409050712	YUUSELJZVPELMK-MUFRIFMGSA-N	505.043	7.068	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079915	KCBOXCUPBMOIIN-LICLKQGHSA-N	545.901	7.312	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)OCO3	409094907	GHACMVWXJIBGRH-JOCHJYFZSA-N	729.106	6.184	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)cc2c1	409186486	CQVPBVKLUSWOKG-AQLQTECXSA-N	653.300	7.485	50	40	KKGB	
CN(C)c1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)c1	409188445	ZFYROPKEQXQFDV-VULFUBBASA-N	531.248	5.621	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1F	409210577	JQUVMZLVIWKFNJ-RPPGKUMJSA-N	507.812	6.063	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c2)cc1	409220360	XWLPIMFFQGWLRU-UHFFFAOYSA-N	511.965	5.884	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccco2)c1	409224247	KLKYOZLATIERIG-UHFFFAOYSA-N	645.691	6.693	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409233819	HTRJPJVCFFAPKX-LSCVHKIXSA-N	699.208	6.911	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1cccc(C)c1	409234800	MMJXGODNGPXCRZ-UVHMKAGCSA-N	543.487	5.384	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OCC)c2)cc1	409251828	BWGOAJKJKHTMFR-XQNSMLJCSA-N	513.594	5.664	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409254004	CNDKDELUOIFCDD-IGDMYJKPSA-N	540.447	5.701	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)ccc4OCC(=O)Nc4ccc(C)cc4C)cc3)cs2)cc1	409258537	ULSNBOCQJJWZAN-VHFSBPNMSA-N	668.617	8.023	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409264809	QPZASAZKUJQHEK-RGVLZGJSSA-N	583.382	5.907	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)c(C)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409317516	UTQGLCFJEZBDAR-LEWJYISDSA-N	627.344	5.573	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409335307	UVHNVJBQXFOKLP-RODHXAHZSA-N	735.453	7.761	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccccc1	409366688	XLVKULYDHWYETD-JMIUGGIZSA-N	525.342	6.062	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(Br)cc1	409370817	UKIQYIUCKZETGU-BRJLIKDPSA-N	567.075	6.317	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409370939	FHLFFTJLTMDNRF-ZDLGFXPLSA-N	591.199	6.614	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409383066	UFOQNBIAQSYLPA-MUXKCCDJSA-N	605.283	5.400	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)cc1	409394932	HRMKDGBSDPBONK-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396148	CYBDSWRZIDEGIQ-UHFFFAOYSA-N	694.955	8.111	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc(Br)cc1	409397522	KTDXUIRVRRNOMX-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4Cl)c(Br)c3)o2)cc1	409405649	UFPIGIRYFVLDEY-RODHXAHZSA-N	667.387	8.678	50	40	KKGB	
COc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)ccc1OCc1ccccc1	1102356	ONPQJEYSFRXJPW-QFIPXVFZSA-N	578.488	5.747	50	40	KKGB	
CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)cnc2s1	1784447	GSLIMHQDXQACRG-VPUKRXIYSA-N	545.448	5.065	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1	1834640	DAYDKIXZDHIBHN-UVHMKAGCSA-N	516.841	6.137	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	2282112	CPAOCTROFKXNOA-XMHGGMMESA-N	547.430	7.160	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Br)cc1	4196321	OLGHARGKOGWNHD-LICLKQGHSA-N	621.123	7.107	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCCC1	6445780	GBKPKVQLURYXHU-GCZGMXNJSA-N	579.078	6.778	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(Cl)cc1Cl	9259498	YORXAMBYFNLCIB-VPUKRXIYSA-N	506.748	6.009	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(I)cc2)cc1	10118661	VFCUACIIKVOOMC-LQKURTRISA-N	520.370	6.096	50	40	KKGB	
O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@H](Br)Cc1ccccc1Cl	11692823	CPBKERAZSGBTJE-CQSZACIVSA-N	504.664	6.639	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	20347930	FSJAAUPYUCMKIW-HHHXNRCGSA-N	526.662	6.220	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1F	20348441	UGJGHXNLTGTIDD-DEOSSOPVSA-N	512.006	5.585	50	40	KKGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1cc(I)c(O)c(I)c1	97957715	IOXUBAMCSZUHGV-DHRITJCHSA-N	609.205	5.250	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl	97962937	VQCAJNKRNFSTTD-FOWTUZBSSA-N	516.178	6.521	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1	100070662	DOYIRDDRZYDJCQ-ZXSNDDASSA-N	599.757	5.053	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)cc1	100125869	MQKDLYKEHGJQRK-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
c1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCCCCC3)o2)cc1	100810444	IYAHBMDJACKLJK-UHFFFAOYSA-N	503.606	6.341	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1	103844533	SYUIQHUTDUUURA-FOKLQQMPSA-N	520.181	5.291	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(Br)cc1	104402177	MZQVQHZCQUIPIA-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(F)cc1	104402218	IJMMQRBDWSFJHZ-UVHMKAGCSA-N	550.222	6.092	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)c1	104696695	PRGABQKYVKWKJA-VTPIHIAFSA-N	536.701	6.249	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Br)cc1	105049619	JNDYXFCWUOGOCO-XDHOZWIPSA-N	526.228	6.645	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342036	IOLXDWANIRDRGL-UWTATZPHSA-N	942.051	11.564	50	40	KKGB	
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1nnc(SSc2nnc(N3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)s2)s1	150350653	GCOOCPQHEVQPPC-UHFFFAOYSA-N	714.704	5.913	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc2ccccc12	150365071	HBPFSPNVEDJYFD-NDENLUEZSA-N	629.281	7.884	50	40	KKGB	
CC(C)[C@@]1(Cl)[C@H]2C[C@H]3[C@](CC[C@H]4[C@](C)(C(=O)Cl)CCC[C@@]34C)(C1(Cl)Cl)[C@](Cl)(C(=O)Cl)[C@]2(Cl)C(=O)Cl	150382877	XBKUMJWVPGNMBM-IZJJIEHUSA-N	648.109	8.288	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)c2ccccc2)cc1	211053606	YTWMEOPMHIJNEY-GZZLJNBRSA-N	570.671	5.073	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408535030	XFIBBCKGRMEDSL-CCVNUDIWSA-N	541.402	5.206	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538677	BORPRGRVDXHWBN-MNBJERMJSA-N	541.560	5.534	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c3ccccc32)c1	408543122	PEJABLYZZQNLEF-KCSSXMTESA-N	504.590	5.648	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc2ccccc2c1	408544924	YPZRJBSLOJUTGI-FMCGGJTJSA-N	557.400	6.434	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552355	RXFOBUHNNNKFTO-WOJGMQOQSA-N	599.881	6.881	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(I)cc1	408570769	YHSBDKLCDJNXSC-FJEPWZHXSA-N	669.006	6.930	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1	408578753	AOSAAPQTRFDONB-VCHYOVAHSA-N	550.223	7.640	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(C(=O)O)cc1	408580260	NPSAHYWTWSSSRR-CAOOACKPSA-N	580.205	6.948	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408580788	DYBYDQDBCDLJBE-WOJGMQOQSA-N	514.456	6.886	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1cccc2ccccc12	408581465	XCDRUXSXUIJOIH-LPYMAVHISA-N	504.811	7.907	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1	408583714	WYQPGJJDZFRKRI-VCHYOVAHSA-N	517.192	7.002	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Br)cc1	408653439	PUMSWJUTBXCPND-YUEHCAIXSA-N	708.028	5.774	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408654915	QZQIMOHQKVZFPR-HLFFMGMJSA-N	661.944	7.262	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]21	408658991	VJQVGEQOMUNLAP-GFZAGDHASA-N	551.829	5.567	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408681650	IABJPIYVTHNZOS-GFBDQPOWSA-N	635.567	5.982	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1-c1ccc(-c2ccccc2)cc1	408723960	BELBFGLSDDASAU-AJBULDERSA-N	501.546	6.187	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408745769	OZXJMZKPMJRACL-PXNMLYILSA-N	502.741	6.680	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Br)c1	408747664	RFJSXYIHSHHCPZ-CAQPMQTCSA-N	563.879	6.376	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408750079	XEQIHDKCITYENT-VULFUBBASA-N	596.297	5.450	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(I)c1OCc1ccccc1	408753215	FKCRDTNQIJCACR-XDHOZWIPSA-N	603.254	6.577	50	40	KKGB	
COc1cccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1	408774733	MZJHODVGHIVBMF-UHFFFAOYSA-N	513.704	5.976	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c(C)c1	408789731	KOLQTEZNAXPKBG-BUVRLJJBSA-N	511.419	7.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408792747	CHZRZEDLGSAMEP-VCHYOVAHSA-N	603.800	6.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408793774	GLNRXFIINKRBAB-OEAKJJBVSA-N	543.417	6.831	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408794370	SBUVFSSSNLJLKL-WGOQTCKBSA-N	674.491	7.092	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1	408798921	XIINOIPBBRGYGC-DEDYPNTBSA-N	584.264	6.513	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1Cl	408802728	GQQUOEPNWOVTSL-UDWIEESQSA-N	521.831	8.233	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1	408823524	FTUSYZXFPHQKAD-OKCVXOCRSA-N	556.471	6.050	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408830487	RZWOEGGOCIPKIU-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)cc2)cc1	408833561	TZNJOIDMSRVWBC-NLRVBDNBSA-N	519.557	6.607	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1	408836893	WSNZWHXLMHOPNB-MUFRIFMGSA-N	542.444	5.741	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	408837691	LISMYPRWFGSSQM-KVAAJVFYSA-N	707.430	6.698	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC#N	408839304	QKBADETWMLJOIU-WKULSOCRSA-N	517.998	5.882	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1	408842112	LWEXILGFOAQLHU-RVDKCFQWSA-N	794.229	8.307	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408842694	PSWJAGGHEDAAJQ-VPUKRXIYSA-N	539.366	7.165	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1cccc(C(=O)O)c1	408849742	YGNNRROHGAZHKB-MNBJERMJSA-N	510.546	5.169	50	40	KKGB	
O=C(N/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1cc2cc(Br)ccc2o1	408853221	QACKZRGESRHHDL-QDTIIGTASA-N	506.787	6.616	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1Cl	408858210	QOQREQNAUJGIJK-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408859204	QUZUVXOMIVTLMN-XODNFHPESA-N	659.784	5.369	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408871172	YOKFBMDQNKBBDF-BIZUNTBRSA-N	573.671	5.394	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cc1ccccc1Br	408873072	RFAJFCLIFQEIHX-UDWIEESQSA-N	529.356	7.003	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408880516	JMJWVSSHKSEYHL-XKJRVUDJSA-N	694.229	6.022	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)c(Br)c1	408881702	OFCOKHFIQAFFGR-WOJGMQOQSA-N	560.673	7.298	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1OC	408882388	OXSOZASXMWXOIR-NTEUORMPSA-N	586.167	5.015	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)c(OC)c1	408884969	WGWJGXADEOWBMO-DHRITJCHSA-N	634.470	6.273	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1cccc2ccccc12	408888129	XCPWLTMBFZSRIL-BUVRLJJBSA-N	507.546	6.580	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccccc1Cl	408904221	GQXOBTKUSKOOPL-QDTIIGTASA-N	528.348	6.389	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1O[C@@H](C)CC	408904821	PCECDNHIUQQFLV-RTNLCPHNSA-N	551.337	5.286	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408905482	AQVSIMIVNFRRLI-MIHYEXDHSA-N	544.435	5.389	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCc1ccc2c(c1)OCO2	408907692	OUUSFGORMYEJCO-OCSSWDANSA-N	504.583	5.183	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1	408924887	PHGXYCIKESLBAO-LTGZKZEYSA-N	517.006	6.423	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c(OC)c1	408925666	VKCGTTFODXXCLM-YPLUWGEXSA-N	716.383	5.129	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	408943606	HWECVCGCXCXWJG-HHHXNRCGSA-N	734.442	5.815	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccc(Br)cc1	408946464	AIDNJWHLNMTLAT-ONUIUJJFSA-N	584.514	6.902	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)c(OC)c1	408950898	HUMVYRKBVATJTI-ZHOFXBFXSA-N	683.737	5.541	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1	408963848	DIERYGYXEJXWMU-RWPZCVJISA-N	510.462	5.745	50	40	KKGB	
CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408971384	NPWUKPQLPIKKST-LMHYHPQRSA-N	602.471	5.182	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408982467	HDEPJBSGSKEAEW-CFRMEGHHSA-N	531.439	7.978	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408994659	IJPHWDPYIYVQSF-IPHFVPNQSA-N	501.674	7.479	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc(OC)c1OC	408997667	NXHBDWFLPYMZMN-OEDHSSGKSA-N	579.609	5.347	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)c1	409001338	HUJKBPFWGMYHFO-MUFRIFMGSA-N	546.377	5.586	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(OCc2ccccc2)c1	409007863	ZYIYFTQYSWBGJQ-KCSSXMTESA-N	582.509	5.914	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1F)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409040872	INXFWIVKBRWODD-AABVJFSESA-N	591.495	8.343	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)Cc2cccc(Cl)c2)cc1	409068205	KQYNCDABPJEMHF-STBIYBPSSA-N	512.075	5.287	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409071977	AARLICDEMYQQMV-OQLLNIDSSA-N	548.360	5.224	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Br	409122523	ZEEQJTNAHXZOIA-KKMKTNMSSA-N	589.726	5.751	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409211805	KEMSQVNUJANROO-LUOAPIJWSA-N	558.712	7.231	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC	409218694	GMMVCGCSOLEDAM-UHFFFAOYSA-N	677.464	5.619	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409219301	PFYSETDLNINPCW-MHWRWJLKSA-N	558.791	5.813	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)c1	409219424	QKIUMEXEWFRPCR-UHFFFAOYSA-N	511.965	5.884	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409220110	YGPRBMIAVGYEKS-WOJGMQOQSA-N	510.377	5.874	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc4c(c3)OCO4)cc2)cc1	409221712	AFJSZQQMAIDOGH-ZMGVVAQMSA-N	555.974	5.613	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)c(C)c1	409253771	CAUHKJKODVQLJI-VCHYOVAHSA-N	617.725	7.045	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1cccc(C)c1C	409265998	VOOXNSWJMFLVIR-WBIBEUCMSA-N	619.747	7.269	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409311743	HTCVGEJVTPLDEO-FZKWRIDDSA-N	559.062	6.978	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OCC	409317293	OUCNJDUWHDRRQL-YKQZZPSBSA-N	575.083	5.766	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC)cc1OCC	409334126	RYUVFFZPBYEQDS-FMCGGJTJSA-N	514.214	5.172	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCC(=O)Nc1ccccc1	409334901	NNCYWGMKXDKOTJ-FZKWRIDDSA-N	588.060	6.108	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409374575	UEJXVZUYDNLUGD-NVMNQCDNSA-N	512.824	7.873	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1F	409382690	PHXAMQRTOYAKQV-NDENLUEZSA-N	521.976	6.058	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc(Br)cc1	409387911	YHRITGHPRQMULK-XODNFHPESA-N	680.318	6.918	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395938	UGAKVOYBMXVJJE-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409396671	ZYXMTHKSJDIKDH-UHFFFAOYSA-N	704.177	8.789	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409396944	DGERXFGNSHIWBX-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397177	HDDMSXMDKPSUJP-UHFFFAOYSA-N	598.999	6.397	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397697	MYNRRGRJKWWZCD-UHFFFAOYSA-N	590.636	6.011	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397825	OLKCDCTXLRBIJK-UHFFFAOYSA-N	586.475	7.832	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OCC)c1	1529547358	KRWOCNPQDGPTAV-LVVFFRFESA-N	681.609	5.312	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2cccc3ccccc23)cc1Br	1529547665	NXFCDFFXYUJSTA-BUMGRRTCSA-N	717.642	6.075	50	40	KKGB	
O=C(N/N=C/c1ccc(OC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1)c1ccco1	1105706	MTBFZWWPJMOSRT-DZELJBCFSA-N	522.388	5.898	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1	8766478	CIKGZUDFGSJXDF-RAMZYJDASA-N	511.603	5.237	50	40	KKGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	14152017	KELMOLRNOUMVCH-XMHGGMMESA-N	505.603	5.638	50	40	KKGB	
COc1ccc(-c2csc(-n3nc(-c4ccc(Br)cc4)cc3NC(=O)CCl)n2)cc1	16956861	GMTKGVBPGCHHHD-UHFFFAOYSA-N	503.809	5.611	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1	58926036	MCMJWGFEFLRZQA-LGJNPRDNSA-N	510.830	5.377	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	59335728	SBJIPTJGKIOXRZ-UCQKPKSFSA-N	521.444	7.554	50	40	KKGB	
BrP(CCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1	95682058	PVMJTKSBSOUVKP-UHFFFAOYSA-N	740.500	9.446	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)sc(C(=O)OC(C)(C)C)c1C	97965053	RZADDFAOUASSIP-VBKFSLOCSA-N	574.522	7.051	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N	97965886	PGSZSLXDVMEFOA-YBFXNURJSA-N	552.578	6.444	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OCc4ccccc4)c(OCC)c3)cc2)cc1	97980757	VMFQVKXXJDDXSQ-RUMWWMSVSA-N	573.671	5.628	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1	100128351	XMYCMRICGLUYPV-STBIYBPSSA-N	566.039	5.001	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)c1OC	100371353	JSWBEQCKCQTFTP-BIZUNTBRSA-N	578.090	5.825	50	40	KKGB	
CCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1	100987596	HPCCKPYKSFZMGW-KGENOOAVSA-N	562.057	8.301	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)cc1Cl	101572454	YAJRFXDNXAGEHC-SSEXGKCCSA-N	570.114	7.028	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	102401790	JSICJQZJOATJDM-VWLOTQADSA-N	604.157	5.740	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	102808951	FNEOFMWQZNIRSV-MHZLTWQESA-N	529.065	5.724	50	40	KKGB	
Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C/c3ccccc3OCc3cccc(Br)c3)n2-c2ccccc2)cc1	150391563	SSHDVIWRDSHGJW-IFCCFDJFSA-N	655.622	7.160	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc([N+](=O)[O-])c1	164745875	KTHZGKKKBFHKHY-MFOYZWKCSA-N	638.245	7.030	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(C)cc3)cc2OC)ccc1OCc1ccccc1	408539041	DTSVIYULDDHUAU-OHUYPAJKSA-N	545.035	6.588	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(C(=O)O)cc1	408541638	HAESNPTVYUURLU-NVMNQCDNSA-N	503.179	7.097	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc2ccccc2c1	408549691	XCDXCLMMXQWGJW-JJFYIABZSA-N	519.782	7.807	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552527	JIGNNFYAAZUQLW-NOPDUFPGSA-N	759.897	9.066	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408554296	RLBITIZGIQHXMJ-RAWMCFOBSA-N	566.195	5.446	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408567945	HBNDINLMOQFMNM-OCSSWDANSA-N	579.700	5.919	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1	408579258	FMWYFCUHYVDYIK-WOJGMQOQSA-N	503.223	7.798	50	40	KKGB	
N#Cc1cccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(I)cc2)c1	408712072	YHYPGJBAWCLWRB-MUFRIFMGSA-N	531.353	5.659	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Br)cc1	408724538	FKRLLDRTUIKLLS-JAIQZWGSSA-N	617.281	6.804	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(C)cc2)cc1OC	408726528	MPLJQTUDQMHTNM-HNSNBQBZSA-N	608.116	5.590	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)ccc1O	408728848	VMNYQHDFUXFHJI-FDAWAROLSA-N	564.063	5.522	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	408745721	VDMARZLWYADOEY-IUXPMGMMSA-N	506.216	7.733	50	40	KKGB	
N#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br	408746998	JAHMZFYFLIAPOD-GHXNOFRVSA-N	540.009	5.422	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)ccc1I	408747466	OIWDYYQITAEASA-AMVVHIIESA-N	694.161	7.321	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408762164	DBLRUNGGHZJOCZ-KPGMTVGESA-N	536.548	5.267	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2cc(C)cc(C)c2)cc1OC	408783467	LOXFORVNBMBWLB-QXUDOOCXSA-N	581.694	5.973	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Br)cc1	408787544	BQJGXGWFXNOFIW-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(Cl)cc1	408788630	LSWICCUAXIJRIF-HYARGMPZSA-N	517.969	6.500	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(I)c1	408794382	SCWXLUAWEYJFEI-GIJQJNRQSA-N	607.673	7.140	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794861	KHMNIKBETQDSMH-VUTHCHCSSA-N	589.489	8.306	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798160	VAAJEXVVDHWTMH-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccccc1	408806749	BRAMSZGYSUSTHG-UNOMPAQXSA-N	542.348	5.954	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)cc2Br)cc1C	408823580	FAKRPPZRRDDUGE-WGOQTCKBSA-N	601.928	8.423	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408825694	DZRRMJFIAUZQHJ-KEGTUQKMSA-N	788.175	7.323	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(C)cc2)cc1OC	408831869	PNYVEDIJQZZNAK-HNSNBQBZSA-N	608.116	5.590	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1	408845310	VVGULGRHRKMGCB-RVDKCFQWSA-N	841.229	8.149	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccccc1	408851210	WKSLABRVKQLNID-UDWIEESQSA-N	513.229	7.253	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccc(C)c(Cl)c2)cc1	408859764	QIHBGVNLMAXLNN-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408861568	SRIZARREZZXPEQ-VVEOGCPPSA-N	643.387	5.877	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1	408863433	OKFVOUJUJFFTEQ-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@]43C)c3ccccc32)cc1	408874952	GMHIAELTRWWPKF-PTZPZALOSA-N	543.667	5.474	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(I)c1	408880397	HQCSLGHCKQCJFU-LZYBPNLTSA-N	583.640	7.376	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Br	408880767	ISSRITIVJHBPDV-WUXMJOGZSA-N	541.583	5.884	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	408881629	LSOCBYGGSJARKY-LDADJPATSA-N	501.302	6.593	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1cccc(Cl)c1	408889187	FJRRFXDHTCJTKV-VCHYOVAHSA-N	590.699	7.307	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccccc1C	408896549	OGVQSRWBOAFWQO-VXLYETTFSA-N	570.827	6.843	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)c2)cc1	408925962	VGWOMDPBZZKILZ-SFQUDFHCSA-N	606.292	5.842	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408942088	FNUIJAOSIGMYFQ-NDEPHWFRSA-N	672.001	5.567	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)c(OC)c1	408950877	HSSUZKQWFAXYQN-UIGQDENISA-N	655.535	5.610	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccc(Cl)cc1	408953630	XOQDXKNQYJGWRR-HHHXNRCGSA-N	797.897	6.171	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408953709	MLINOYCFVKQSBM-RISTVWDVSA-N	520.265	6.067	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc2ccccc2c1	408957033	ZTVKVHJWHWHKOJ-YSMPRRRNSA-N	627.482	6.779	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408962110	GRIICXCYOOKXFW-UVHMKAGCSA-N	630.351	5.595	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408964061	MOKRLIJLYFILDP-SFTPFOSYSA-N	633.532	5.656	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(F)c1	408968647	YETSRWWRFPIGPX-VYVUJPJFSA-N	555.618	6.763	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(I)cc1	408968813	ZKIFSZAOKRWEKH-CCVNUDIWSA-N	543.336	5.044	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	408969552	PZSDLXRFISFJRB-VHNYRUABSA-N	624.952	6.871	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408986092	ZNHSVISKGBIAKC-GRSHGNNSSA-N	570.827	6.843	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C(\C#N)c4nc5ccccc5[nH]4)cc3[N+](=O)[O-])sc2c1	408990317	KMGDVSKGNDHBMB-XSFVSMFZSA-N	588.674	7.857	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1Cl	408991941	RNGWSJTYPKDMQO-GRSHGNNSSA-N	525.786	6.234	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)cc1	409000377	XZLZJBZSDLAUQX-BIZUNTBRSA-N	566.570	5.537	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OCC	409009932	CQAQMLIAMZTFJC-OPEKNORGSA-N	646.073	5.737	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccccc2F)c(Br)c1	409021400	FRMYMVOWUDNEIO-NUJZUDFISA-N	508.347	5.245	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1cccc(Cl)c1	409043312	DVXZEMQFMASIRL-MWBNBJEGSA-N	617.558	8.602	50	40	KKGB	
O=C(O)COc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409046546	RMIVZCIQCDIMDT-QDTIIGTASA-N	583.236	5.654	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)C(=O)Nc1ccc(O)cc1	409057598	QDDYVXUNGXUBHC-CXUHLZMHSA-N	546.190	6.181	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409061429	ZSKIIRBGIVASBE-KVAAJVFYSA-N	646.980	6.576	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)c1C	409066202	MFVFBLNQUNHPRV-LDADJPATSA-N	501.391	5.924	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccc(I)cc4)cc3Br)cc2c1	409187577	SCIJRFAWHBPLLE-NUJZUDFISA-N	649.279	6.550	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc(OC)c1OC	409219001	MEFXUYDBOMIQPP-PKYZOHEASA-N	659.051	5.909	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)c2)c1	409219216	OLHUKVIBZDXWMP-UHFFFAOYSA-N	586.442	6.002	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409225184	JQKXSNMABOUQRU-RHLNUJDMSA-N	572.830	6.317	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409226773	WVCJPZRHYVMOCF-UHFFFAOYSA-N	690.175	7.754	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1	409247115	BYASICNGCUVIRX-MUXKCCDJSA-N	564.249	6.021	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)c1	409258161	UBQJXNGVGREEFM-NVJOKUIPSA-N	638.154	6.372	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409262244	GFNMXRRDGQJFIE-BKUYFWCQSA-N	503.986	5.919	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409262713	ITYKTLPOZKBQFF-CIAFOILYSA-N	597.409	6.297	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409265765	OUKKRHCSECMHSE-CDLBOOTPSA-N	733.088	8.767	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409266952	SNSOLEOEVPNCNI-YBFXNURJSA-N	550.409	5.343	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1	409267279	MXVHRBWICOJUKW-XJECJHNESA-N	630.557	7.950	50	40	KKGB	
Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)c2)c(C)c1	409273608	ZLDIJLHLLJRODO-VFLNYLIXSA-N	527.408	5.025	50	40	KKGB	
O=C(Nc1ccc(Cl)cc1)[C@@H](NNC(=O)[C@@H]1NC2(CCCCC2)Cc2ccccc21)c1ccccc1	409283920	QQUKJORCIKKYGI-IZZNHLLZSA-N	503.046	5.231	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OCC)c2)ccc1OC	409311732	HJFHRAVNQZGUJO-FDVSRXAVSA-N	608.860	6.094	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1OC	409315044	MORNZYCRRBQXFM-MBTHVWNTSA-N	529.818	6.019	50	40	KKGB	
C=C(Nc1cc(C)ccc1N)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	409336086	SACQRXHTLRJMAE-VXLYETTFSA-N	529.265	7.758	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3cccc(C(F)(F)F)c3)[C@@H](OC(=O)c3cccc(C(F)(F)F)c3)C(=O)O)cc2)c1	409370282	ODFLTXNRFNFLDD-KAYWLYCHSA-N	745.585	5.582	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1ccc(F)cc1	409373157	NGARYPVORROFAR-WCMJOSRZSA-N	551.412	6.492	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Br)c1OCc1ccc(Cl)cc1	409381578	HAZNDOCWINXVOS-CCVNUDIWSA-N	522.871	5.453	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409389417	YUAGSJJHFJTKMN-YSYOEVFLSA-N	723.024	8.289	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc(Br)cc1	409395201	KXKSTHMRZHBFAP-UHFFFAOYSA-N	617.297	7.343	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397782	NZYFQEUQACBZIS-UHFFFAOYSA-N	641.338	8.830	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409397848	OPWPLINNWHYRIE-UHFFFAOYSA-N	638.507	8.295	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(F)cc1	409401175	GSJDYNYVGQDUCG-QJOVZPHJSA-N	581.644	7.147	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4ccc(Br)cc4Br)ccc4ccccc34)o2)cc1	409404171	PCOWGNDQQYRZBM-FIBXFRIOSA-N	727.453	9.287	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4Cl)S(C)(=O)=O)cc3)o2)cc1	2085046	JUNYMOHXJHCDJX-FDAWAROLSA-N	580.062	5.507	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccccc1-n1cccc1	2726842	RSMORXKVLRXKIT-AFUMVMLFSA-N	500.805	6.401	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1	3143796	POIQVUWADPGFBV-RDRPBHBLSA-N	520.994	5.451	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(I)cccc3[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)cc1	6445824	WJCGBVFAUWQBNP-XVAAYUMESA-N	607.857	7.146	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3ccccc3)Nc3c(Cl)cc(Cl)cc3[C@H]2[C@H]1Cl	8425535	LGHJZYDFGCMCGW-PYRBGSSCSA-N	505.854	7.940	50	40	KKGB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1Cl	13751089	DMSTVHNHHCKCEF-LTGZKZEYSA-N	522.008	7.085	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	14134909	OZTOPSXAZMIWGN-UXHLAJHPSA-N	517.423	6.273	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(N2CCOCC2)cc1	14361264	JKNYPRFGGSGMKO-VUTHCHCSSA-N	502.665	5.579	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1	19849052	UVOFGJASHBERAY-QQXSKIMKSA-N	506.975	5.128	50	40	KKGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1C	20243756	JRMKXPSMTIAZPZ-FCLYZYNOSA-N	504.881	6.449	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)c(C)c1	20243758	NCQZAYYLDAMMBV-WCNLIYRBSA-N	518.908	6.758	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCN(c5ccccc5)CC4)cc3)c2C)cc1C	28217196	JDUBHVDPACUGPA-PPOKSSTKSA-N	519.693	5.797	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(Cl)cc1	59332866	IRFOGQCZVOXEAY-XHPQRKPJSA-N	528.052	5.912	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccco1	98048581	QKAPKNYPQFLYQG-AREMUKBSSA-N	580.632	6.876	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126062	FIFJIBBJBDLCEF-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccccc2Br)cc1	100139307	BUYWVCDENIEJHN-FDAWAROLSA-N	596.934	6.570	50	40	KKGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1cc(-c2ccccc2)nc2ccccc12	100458453	ODCDORRUJXBWCS-ZMFRSBBQSA-N	525.200	5.896	50	40	KKGB	
Cc1ccc(S(=O)(=O)/N=C2\C(Cl)=C(Cl)/C(=N/S(=O)(=O)c3ccc(C)cc3)[C@@H](Cl)[C@@H]2Cl)cc1	100815319	KJVBAWAOJCRNGK-FHCFPUNNSA-N	554.304	5.181	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100877748	CFQGPYXFJOZPIB-RKZIHRPTSA-N	534.435	5.523	50	40	KKGB	
O=C(Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1)c1ccc(Cl)cc1Cl	102067306	BIWHUKNORLSMJV-RFPOMQOQSA-N	588.079	5.495	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)c1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1	102512654	QPLKZPTUMFSLFP-FDBFMKMFSA-N	548.010	5.936	50	40	KKGB	
N#CC1=C2C=CC=CN2[C@@](c2ccccc2)(C(F)(F)F)N=C1SCC(=O)Nc1ccc(Cl)c(Cl)c1	102830485	MSGCNLZAOMUDAA-QHCPKHFHSA-N	535.378	6.656	50	40	KKGB	
CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C(F)(F)F)C3=C(O)CCCC3=N2)c1	102874986	XBPOOKZEUNKHKQ-DEOSSOPVSA-N	525.552	6.549	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	103012232	QEKDBJGEGFOFEK-WEMUVCOSSA-N	570.155	6.733	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(I)c1OCc1cccc2ccccc12	112246970	JZQRZXPZTYLXAD-OKCVXOCRSA-N	565.411	5.768	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342330	QOSQOQDIQHMKPZ-REOHCLBHSA-N	942.051	11.564	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)Cc2ccc(Cl)cc2Cl)cc1	150386663	PKCCMVNHWXUEFF-KXVFHBAHSA-N	701.938	7.047	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)c(C(=O)OCC)c1C	150546619	JDSOZUNOFVREHG-RGVLZGJSSA-N	644.515	6.618	50	40	KKGB	
COc1cc(-c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)c(OC)c2)ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	245285885	ZGTOLWFJKMXNQF-CHTPUMHHSA-N	856.200	5.935	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)ccc1OCc1ccccc1	408538334	LFQBOCXSXWVACU-CFRMEGHHSA-N	707.375	8.222	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553516	XBUGFGKLHBNWJJ-RODHXAHZSA-N	656.950	7.415	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408579346	GAKOPPKHBLQKOY-GIJQJNRQSA-N	546.248	7.155	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(Cl)cc1Cl	408581322	WDJYZSSBGVQSMM-VIZOYTHASA-N	616.962	8.924	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)cc1	408581891	ZQGXIGQZHLKHAI-CIAFOILYSA-N	529.805	7.295	50	40	KKGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408610214	MUPXUVFJHKHQDD-VFLNYLIXSA-N	520.800	5.001	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408612044	UCQYZNGJUDVZFG-AMVVHIIESA-N	532.855	6.439	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408661483	XEKKYHXFOZVKRA-BXLRBYEISA-N	531.823	5.038	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1)c1ccccc1	408718419	NGXRKXWZZMYNHH-NJHHXWHYSA-N	768.418	7.178	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Br)cc1Br	408777171	WFINRXKYANEBKW-JAIQZWGSSA-N	556.254	6.023	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccc(Cl)cc1	408782608	XDFUMKMJDORREZ-UNOMPAQXSA-N	587.845	6.144	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc2ccccc2c1	408789832	RXDNIPFWQBZWLY-MFKUBSTISA-N	588.445	7.276	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(F)cc1	408797557	RWAKFCNRXTUGGU-LZYBPNLTSA-N	597.211	6.870	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408822268	LKAFGBXAMWUSEI-HZHRSRAPSA-N	663.322	7.823	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408842395	OQHSPGODTLBADD-PNQUVVCRSA-N	596.374	7.344	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408844205	BNDHRWNZZBFWQW-UHBFCERESA-N	578.419	6.574	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1	408856173	BGRRHMSGAQKSNB-BIZUNTBRSA-N	587.723	5.349	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccc(C(C)C)cc2)cc1	408860507	XGEGWIMDGDBSJD-HNSNBQBZSA-N	560.695	6.011	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)c(OC)c1	408866148	FXWCUHPFOGLLAO-KEBDBYFISA-N	555.400	5.416	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12	408882321	OQJOAKPYXIECSK-LPYMAVHISA-N	619.415	6.794	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408887744	SWDVENGEPMWEPX-KGENOOAVSA-N	616.477	5.874	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)c(Br)c1	408889941	LMAVPXHDWLTHKE-GZTJUZNOSA-N	574.656	6.938	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2ccc(Br)cc2)cc1	408893372	MSSOXYNCYWAYHR-MUFRIFMGSA-N	600.926	5.251	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC(=O)c1ccccc1	408893461	GFTOKQRRNOOOQN-LICLKQGHSA-N	560.231	6.919	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OC(=O)c1ccccc1	408900537	VVZPDIOQPQIXPZ-ALQBTCKLSA-N	609.561	7.060	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408905329	XIKCICKEFHIJER-NUJZUDFISA-N	618.326	6.400	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1cccc(I)c1	408922153	DMZBNAXYVHKMMH-XSFVSMFZSA-N	564.810	7.222	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408950316	RXKIMMWZZCCEFB-SSEXGKCCSA-N	650.588	5.881	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)c(OC)c1	408952120	JXVNMUIUDJJYIK-PDQWDMBESA-N	842.400	5.343	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	408969988	YHALAHKKEYJBMG-DJFFLTTHSA-N	590.507	6.218	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	408974093	XEHZVCURHXUUEQ-CVPZCSNHSA-N	713.456	7.297	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(Br)cc1	408981994	XDENCGVVLBQPFS-HIYJYGDOSA-N	586.486	6.048	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)c([N+](=O)[O-])c2)cc1C	408990667	LIJDZSHTYFXSQP-KGENOOAVSA-N	631.695	7.319	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccccc1Cl	408992072	RXGNJBRXYVBJAS-HAHDFKILSA-N	521.444	7.554	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	408992426	RVMSMDZCXCSYPB-QGOAFFKASA-N	609.092	8.202	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C(\C#N)C(=O)Nc5ccc(Cl)cc5)cc4[N+](=O)[O-])sc3c2)cc1	408993900	XYQSAYCTLUNUKW-KGENOOAVSA-N	626.119	8.116	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	409011536	GAXAALRIVNIZAU-ZVDFNDOMSA-N	540.458	5.386	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	409013403	KENQNUAYXHCMOT-MOFCHLBVSA-N	560.434	5.400	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc2n1C	409019999	YOSRHOUMMOXUNQ-MIMCIKNBSA-N	565.501	5.830	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12	409029650	CDMSIBGRHSZMJJ-ATZGPIRCSA-N	571.420	7.460	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(F)cc1	409031885	BWINAOXIJKPSRI-HQDYHJHZSA-N	631.445	6.997	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409036430	LFEJOAIEEKJCIH-NUJZUDFISA-N	644.263	5.585	50	40	KKGB	
COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccc(Cl)cc4Cl)(c4ccccc43)[C@@H]2C1=O	409050209	SNTUWJYCTOXJGH-DVZMCLJOSA-N	596.470	5.969	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)c1C	409063816	DVCQCMRSCJOJND-LICLKQGHSA-N	624.738	6.795	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OS(=O)(=O)c1ccccc1	409067763	RBTDHHXCGPYBDL-SFQUDFHCSA-N	571.396	5.398	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)Cc2ccc(F)cc2)cc1	409112503	GMXFCFYEGVHNCY-ZCTHSVRISA-N	531.609	5.268	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N	409187564	RXONJSVSMDIXHD-VZRRZXIKSA-N	577.280	5.998	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)c2)c1	409226797	XBDAAMHCKRYYLR-UHFFFAOYSA-N	665.338	6.764	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)c1	409259035	YXZGHTPIDBPDDH-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1	409265626	NCDIFWLJHGJROE-LDADJPATSA-N	510.377	5.955	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccc(Cl)cc1	409268648	XBUAXASKPNLCRS-BCHBDCPOSA-N	511.192	6.082	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1OCc1ccccc1	409312617	MVINOLJLBXJGMF-MZFJOGFUSA-N	555.587	5.924	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	409315354	ILXVDLCAEICXJD-GATIEOLUSA-N	624.198	5.601	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	409317677	RFBCWIZPUMZEGA-QRQIAZFYSA-N	509.400	5.756	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1OCC	409321105	RQSUSSHEVQHVNI-YNFMAFFXSA-N	556.273	7.441	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409322925	LZVURARAONMYRB-FGZHOGPDSA-N	562.475	5.119	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	409371892	BIPUKQPUNJAHRQ-WKULSOCRSA-N	533.378	5.652	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409384032	WTNMLGVMSIHFGB-CAOOACKPSA-N	533.889	8.501	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Br	409385282	HHQONWQHUAYEGO-LDADJPATSA-N	508.328	5.448	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409385557	LHMWMAFMYZUOFZ-YBEGLDIGSA-N	514.434	6.585	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccccc1Cl	409394946	HXTHDXCSGQHYLP-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)cc1OCC	409395594	POAWPSMUCXBLKI-UHFFFAOYSA-N	654.561	7.940	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)c1	409397836	ONNUFOZEKFLVSW-UHFFFAOYSA-N	558.037	7.933	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398893	WGEFNJVFOZVTPE-UHFFFAOYSA-N	696.078	7.915	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccccc1Cl	409399277	YUAVCRRSOQAHAU-UHFFFAOYSA-N	561.947	7.490	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3ccc(F)cc3)o2)cc1	409399946	AJSRTBOEBAXCTR-HQDYHJHZSA-N	582.588	6.656	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccccc1F	409403003	LQAPVKOUPIALEO-KOKCXWAISA-N	660.540	7.909	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(F)cc1	409404255	POYSRZUZLJAMLY-VHFSBPNMSA-N	646.513	7.519	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409404774	QYHXXFBGVGNLNL-RPHGGDOWSA-N	776.309	9.449	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)o2)cc1	409404968	RNTGOKZYKZLSBM-QMRORBIVSA-N	722.390	8.042	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	1529546373	FQADKADXPKMUSD-OOGQYTPFSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1	1529547098	IQAKXXSOWUDEPU-VUSQDURTSA-N	832.342	6.825	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2cccc(Cl)c2)c2ccccc12	1529548247	BNUNRKAWUSABKS-KLOQDLPISA-N	630.170	5.536	50	40	KKGB	
O=C(CCCCCOCCOCC(=O)OCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)OCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12	2061001014	NCGOJMJJDRYHAX-UHFFFAOYSA-N	806.822	6.911	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1cccc2ccccc12	778288	PTVOQQASSRNYRV-XQNSMLJCSA-N	527.602	5.011	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)Nc1cccc2ncccc12	2632856	OFHNJYOPUCIZFV-DIBXZPPDSA-N	511.581	6.938	50	40	KKGB	
O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl	8384667	GXUOOOXGPLKCLX-ANERPBJUSA-N	508.155	5.732	50	40	KKGB	
Cn1c(/C(C#N)=C/c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccn3c2=O)nc2ccccc21	9076382	STVNJPKEQWYGFL-LHLOQNFPSA-N	522.612	5.852	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1	13895920	STQXXRMIGFSMTH-PTGBLXJZSA-N	502.640	5.496	50	40	KKGB	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	15135122	XEPPZIHYTBGKKS-KIBLKLHPSA-N	512.238	5.165	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	20170813	FZAAPRLIBGHGJR-VWLOTQADSA-N	502.571	5.434	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1F	20348444	FIJLQZGJFXCOOB-DEOSSOPVSA-N	512.006	5.585	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Cl)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	32577035	OWDPDPDGCWVHGF-MUXKCCDJSA-N	523.083	5.530	50	40	KKGB	
FC(F)(F)c1cc(/N=C2/NCCN/C(=N\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)SS2)cc(C(F)(F)F)c1	95730865	GEEKFBAAYZAMAY-UHFFFAOYSA-N	600.454	8.011	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1	97950399	KBBCTMTYAMQWPJ-MHZLTWQESA-N	545.064	6.055	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)c(Br)c1OCc1ccc(F)cc1	97960949	MVEADFUWFJIHBZ-ATZGPIRCSA-N	642.319	6.325	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(-c2ccc(I)cc2)o1	98001288	XREJWINZYQRDNY-PGGKNCGUSA-N	682.932	6.368	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	98048514	LTLHHKIJTWYGRN-XMMPIXPASA-N	651.892	7.421	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	100147129	GQQMCMSIPIIWDX-MZFJOGFUSA-N	583.541	5.785	50	40	KKGB	
Cc1ccccc1C(=O)CN1C(=O)[C@H](NC(=O)Oc2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)c2ccccc21	100947595	PXWRBBVRJCMFES-LJAQVGFWSA-N	548.555	5.085	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C	100988904	KEBFYLHKGYTIAY-HMFVREHESA-N	556.902	7.329	50	40	KKGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)=C2C#N)cc1OC	102808961	MZJLMZIVWFVVOB-FQEVSTJZSA-N	562.047	5.299	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1	103789535	DKSPEMVDRFQQLD-BGABXYSRSA-N	579.660	6.975	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	104699867	MWEXNKGSIVYRCJ-SADPKNDCSA-N	552.722	7.225	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	108332450	GWDVUEMTSJUERP-RCCKNPSSSA-N	524.045	7.430	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)CCc5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1	112255461	GAJDSFQBXPIMNY-CRMQRMCISA-N	539.635	5.281	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)o1	112255863	DIOFALUJONPXBB-YSURURNPSA-N	571.063	6.218	50	40	KKGB	
CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341594	UUZGEQOSHVEDNV-CYBMUJFWSA-N	628.295	9.840	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc(I)c1OCc1cccc2ccccc12	163906541	OOQAQSSAQQYOIY-AABVJFSESA-N	664.500	5.673	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164734605	IGKKQCLPAMDZMC-NVNXTCNLSA-N	662.536	8.139	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(C(=O)OCC)c1C	408546929	OZPVTPUTZSSOQJ-DJKKODMXSA-N	742.415	7.628	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OS(=O)(=O)c1ccccc1	408579607	IOQJRKPYCGEEOX-DEDYPNTBSA-N	545.398	5.830	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)CC2=O)cc1	408601229	ANQKOJCBVVBBAE-LJQANCHMSA-N	528.436	5.640	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	408609094	YRZZDWFIHMFXNH-NNVROAHOSA-N	565.699	6.737	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408637526	ADVUIOVDCHCBRL-MHORFTMASA-N	651.566	5.809	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccccc2)cc1	408717996	ZYWFYGAHIVWVFS-LQKURTRISA-N	532.350	5.278	50	40	KKGB	
Cc1ccccc1NC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)Nc3ccccc3C)cc2)cc1	408719320	BZPFXMADLNWIGU-UHFFFAOYSA-N	552.823	6.349	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408745830	VVQCRLXMTKRZOD-ODLFYWEKSA-N	555.812	6.324	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(C)n(-c3ccc(I)cc3)c2C)ccc1I	408746775	GYSNNHHSJXIDBI-MSXFZWOLSA-N	599.210	5.076	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NCc1ccccc1	408747256	LETHZPMBOWYTBA-GRSHGNNSSA-N	560.673	6.667	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OCc1ccccc1	408749438	OPQOFVILTYMOPS-OGLMXYFKSA-N	551.384	5.433	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408753881	ONFQKCNRAIRAFW-XDHOZWIPSA-N	541.423	5.388	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)C(C)C)cc1	408754355	QJQQBWBRHBYYGK-XJMOSWHOSA-N	608.558	5.943	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408759713	KFAAFRHZJAYPSO-PTNGSMBKSA-N	607.236	5.433	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1Br	408760684	DBDYPRUDHKJTAR-WCIBSUBMSA-N	533.003	5.989	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1cccc([N+](=O)[O-])c1	408763530	PMDAETCNNANBNW-ODLFYWEKSA-N	522.355	5.881	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1ccc(I)cc1	408771043	DWIMESXLYSNNJQ-ULPWCQAASA-N	682.154	6.301	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408792378	AXYUQYRXANZKKK-WUXMJOGZSA-N	623.015	5.760	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1	408792472	KDHUMMVQEQLGIT-FYJGNVAPSA-N	539.415	6.693	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408801821	BZZFLPIUGWVGAY-RHLNUJDMSA-N	570.281	6.584	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC(=O)O	408820094	VBLAIUDKWHTDQV-LJUMEUDFSA-N	576.447	5.841	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl	408823570	GCDDZLBQVMMGOV-RQZCQDPDSA-N	528.348	6.043	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccs1	408824867	BJFRPIYPMBZKIJ-ZTKZIYFRSA-N	538.094	6.259	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccccc1	408824987	CNURVUOQNGEPPO-QXUDOOCXSA-N	625.534	5.990	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408827423	JICUCOQDSXTFQM-DPWJMMOYSA-N	683.330	6.279	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408837847	AAOQRZOKGXNBBS-ODNPBWNPSA-N	626.134	7.806	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Br)cc1	408839365	RDCIZZHLAVXTEZ-IZYHBKOJSA-N	691.003	8.260	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5ccccc5Cl)c(I)c4)cc3)cs2)cc1	408841665	GLWNQCJEBOXIOW-QNVXDBMFSA-N	804.879	9.068	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408844679	UOFZJCOTXMRPHS-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc(OC)c1OC	408845004	PXUYVZNJYUGVKD-XJECJHNESA-N	689.102	6.724	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc1[N+](=O)[O-]	408849168	YCHXDJXCIFCKFW-DXJNIWACSA-N	504.546	6.693	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(Cl)cc2C)cc1	408855730	CTYNQFBQPNZNIF-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408857413	MLPDBSDTFIJULH-OCKHKDLRSA-N	559.280	7.626	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccc(C(C)C)cc2)cc1	408862191	GDUNFLDVKARWKN-UXHLAJHPSA-N	521.683	5.499	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408880213	FCMCFKPBPPSLKO-DPNNOFEESA-N	701.437	6.453	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408887662	QEDZHLJGZFXFRY-LZYBPNLTSA-N	685.643	6.582	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OC(=O)c1cccc2ccccc12	408889232	BAOWHOPKKPWBCQ-HMMYKYKNSA-N	527.374	6.376	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Br)c2)c(Br)c1	408889241	BSMLFWJSZPFTEP-CPNJWEJPSA-N	669.167	8.201	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cccc2ccccc12	408891263	NSPUFXVLWXZYPN-CPNJWEJPSA-N	517.368	6.920	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	408891354	PCIIUGBHIIHHSO-LDADJPATSA-N	596.264	7.683	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl	408897806	ZQMYSYMVCSQKPP-LZYBPNLTSA-N	624.218	6.639	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408898455	LMFVAFSPAFIOAC-WKULSOCRSA-N	546.446	6.565	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OC(=O)c1ccccc1	408898530	MCWPHHGKRJHJEJ-LICLKQGHSA-N	558.759	5.718	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc(Cl)cc1Cl	408954251	YWWDVOYXVILDBT-HHHXNRCGSA-N	879.342	6.667	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccccc1C#N	408961381	BVVKURQTPNCQQC-XODNFHPESA-N	549.337	5.327	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1Cl	408961499	CNGFXGGJIHMDFS-XKJRVUDJSA-N	588.751	6.315	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408969449	NPYFDFZPPVTUKV-OMPSKVDRSA-N	698.239	6.728	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1	408970085	AEBPHYFKYBIQFY-NTROQONVSA-N	590.507	6.218	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1cccc(F)c1	408986170	ZYUBGDZEUDEKCP-GRSHGNNSSA-N	543.820	7.073	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)NC[C@@H]4CCCO4)cc3[N+](=O)[O-])sc2c1	408987471	BEFQWQDACMBKEI-IMEWXKHHSA-N	599.694	6.119	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12	409029980	BEKPFNLVWJJXMT-KVAAJVFYSA-N	649.770	8.423	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1OCc1ccc(F)cc1)c1cc(-c2ccccc2)nc2ccccc12	409031709	KLCFFRYCUGPKIV-KVAAJVFYSA-N	680.315	7.751	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)c(Cl)c1	409052207	GTGZOBALQLRCSV-DHRITJCHSA-N	504.755	5.596	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409052409	HAINULDEOXRYFG-IPBVOBEMSA-N	556.671	7.069	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl	409082396	SLDGIAQYKGYPDF-NTUHNPAUSA-N	533.711	6.801	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409133308	SBDNDLCDTAEFDO-VWLOTQADSA-N	581.467	5.319	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409159977	DHEZNXASRMJSJF-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1	409163950	ADTUQYFLCJZLTJ-IBBHUPRXSA-N	595.494	5.052	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc(OC)c1OC	409224253	JKZHPXUIYONUKE-UHFFFAOYSA-N	700.464	6.729	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cccc2[N+](=O)[O-])cc1	409227550	ZJMBZKBUIHPUDG-YKQZZPSBSA-N	522.517	5.139	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409256179	OEDRBYUROXPQHA-MTJSOVHGSA-N	595.437	5.788	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)cc1	409270368	DVAJHIRPOTZIER-ODLFYWEKSA-N	613.306	6.400	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1)C(=O)NCc1ccccc1	409274335	VZTLWCRCVNSCIX-CPNJWEJPSA-N	506.509	6.130	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)ccc1OCc1ccccc1	409302751	JXQULEFJJORURI-MNBJERMJSA-N	500.982	6.271	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)ccc1OCc1ccccc1	409313915	PVGVWKIOERGVJB-CAQPMQTCSA-N	643.943	6.612	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OCC	409314339	FUGVCBPEQMEPJE-UHBFCERESA-N	632.451	5.528	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1OCC	409319052	ZNEXJGZUHSATRQ-MNDYBZJGSA-N	608.302	6.881	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2)cc1C	409386859	NZDSDJQUNZYSJJ-NDENLUEZSA-N	504.384	5.629	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1	409395033	JAYOTIOQEISEKE-UHFFFAOYSA-N	731.828	9.158	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409399136	XXXKIFGXUOTDTF-UHFFFAOYSA-N	555.993	7.009	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409399284	YXBSSFDCWGSMQF-UHFFFAOYSA-N	753.977	7.501	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409399333	ZPXCALZJJGKMOE-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
CC[C@@H](C)Oc1cc(N(C)C)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409400401	CURDCDFEEKVBRC-AMEPNOGLSA-N	528.653	6.273	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccccc4)c(I)c3)o2)cc1	409401898	IOVNBKJMIIOFJS-KMUKQRDJSA-N	688.522	6.652	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC	409402002	IVODPMGCNQDZRZ-ZMGVVAQMSA-N	659.375	7.352	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(Br)cc1	409402627	KIEKOHJXOMYUTM-FRKGHFGRSA-N	800.342	9.295	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OCC)c1	1529547362	KRWOCNPQDGPTAV-MJJWSTQNSA-N	681.609	5.312	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)N1CCOCC1	1477163	PJQVXBGZHZHZHN-HKOYGPOVSA-N	508.553	5.023	50	40	KKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1	1828810	NEQNHSFSWTZVIG-CAPFRKAQSA-N	576.074	7.096	50	40	KKGB	
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@H]1CC[C@@H]2OP(=O)(O)O	2005074	ADFOJJHRTBFFOF-YBNCXLCVSA-N	520.390	5.299	50	40	KKGB	biogenic
COc1cc([C@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1	2170048	LUMJEGBAWXZTJC-LJAQVGFWSA-N	520.633	6.038	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc(-c2ccccn2)nc2ccccc12	6191270	YFWUPVNEUBIGQJ-RPPGKUMJSA-N	526.188	5.291	50	40	KKGB	
O=C(O)c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21	6445669	OTHQNINSJWIIPA-KMRIWGIYSA-N	525.970	6.240	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	9302126	DBWUDCFTPWUTQJ-XMMPIXPASA-N	521.067	6.108	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	20060048	RQTKWLMYYKNORM-MWAVMZGNSA-N	526.102	5.990	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1	20347752	KDBHDMYLJSPOHH-NDEPHWFRSA-N	509.631	5.954	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OC(=O)c1ccc(Br)cc1	59222240	YTRYSXLHCVHBSR-IPPBACCNSA-N	559.844	5.866	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	59856220	DMOZPSUDOPEHSG-MWAVMZGNSA-N	562.489	5.999	50	40	KKGB	
O=C(CCCCC(=O)NNC(=S)Nc1ccc(Br)cc1Cl)NNC(=S)Nc1ccc(Br)cc1Cl	97949219	FCVPLOOYYOIJIC-UHFFFAOYSA-N	671.268	5.414	50	40	KKGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c1O	97961083	VJRVVJJYNOQHPV-UZDCQUFSSA-N	524.253	5.477	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(I)cc2)=C(C#N)[C@H]1c1ccco1	97999877	ODZXDBLFZZHTQL-VWLOTQADSA-N	626.476	5.599	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1cccs1	98000068	HLXNHZQQIZZUQV-MHZLTWQESA-N	558.729	6.389	50	40	KKGB	
BrCc1ccc(-c2ccccc2)c(-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1	100003486	BIMWFHVLFZYVIE-UHFFFAOYSA-N	557.495	7.742	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1ccccc1Br	100118541	QBMDPQZVAARLFU-UXHLAJHPSA-N	579.520	5.587	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccccc2)cc1	100350156	JGOQCUQMZGRZRJ-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc4ccccc4c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852102	JDARYYZGLNQVGC-PPOKSSTKSA-N	563.727	7.026	50	40	KKGB	
CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1	100853293	RDPYCLLHLAKSQK-RDRPBHBLSA-N	534.041	5.454	50	40	KKGB	
O=c1[nH]c(SC[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@@H](Cl)c2ccccc2)nc2sc3c(c12)CCC3	101026554	HPNXSZPBSAWZNK-FPOVZHCZSA-N	530.096	6.615	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1F	101273366	RQDIPNOBYIQXRA-QHCPKHFHSA-N	542.430	5.385	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(F)c2)=C(C#N)[C@@H]1c1ccccc1Cl	102717947	MINWSRUIIAMKHM-MHZLTWQESA-N	563.054	6.194	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102806709	SVFIKWWZVVYDOK-MHZLTWQESA-N	575.046	6.059	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4cccc(Br)c4)c3C)sc3c2CCCC3)cc1	103874138	OCXDMQSXFUHCHB-VTNSRFBWSA-N	589.559	7.122	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3OC)N=C3CC(C)(C)CC(O)=C32)cc1	104103701	BXGWRKOWUXXWJK-VWLOTQADSA-N	538.069	6.635	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc3c(c2)c2ccccc2n3CC)c(C(=O)OCC)c1C	105310810	NODWUVWLYFXVQH-XSFVSMFZSA-N	528.630	6.257	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12	112254942	GNURXDGMDBQEKE-NUEHVLEWSA-N	606.638	5.644	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3ccc(NC(=O)c4ccccc4)cc3)cc2)CC1	138299754	RSZQFSUERPHOMG-YRRMYEEHSA-N	561.686	5.424	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164697924	KAQVNZDGPQETPM-STZFKDTASA-N	646.298	6.028	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795362	RPQGFPDJYAOIFK-QWRGUYRKSA-N	944.155	12.312	50	40	KKGB	
CCCCCCCCCCO[Si](OCCCCCCCCCC)(OCCCCCCCCCC)OCCCCCCCCCC	196479471	URJDFYQNAFUJJQ-UHFFFAOYSA-N	657.194	14.051	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br	408539344	VRTJVEQBMTURPS-GXBUFBABSA-N	684.498	9.582	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccccc2)ccc1OCc1ccccc1	408540514	SRRQOLUYLFYMFL-MZFJOGFUSA-N	559.460	6.770	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408548402	HRZTYXKJIFHAPN-KSEXSDGBSA-N	508.832	8.842	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	408579930	LNTYAEYALRXJOI-YBFXNURJSA-N	511.803	6.501	50	40	KKGB	
O=C(NNc1ccc(OCc2ccccc2Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408602564	DSPBJZQPDQAFRP-MRXNPFEDSA-N	549.252	5.831	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408643947	QJNJWWMNQRTFKZ-AGRFSFNASA-N	663.165	5.639	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408644873	RYNLYMOFDMGDRY-NNMXDRDESA-N	551.829	5.711	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1cccs1	408649422	YDFNBPXATSTUQO-SYQHCUMBSA-N	623.150	5.217	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408657494	UJKWQRYJEGYIPV-PPTJPPEBSA-N	659.158	5.020	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408686596	SBSRBSFILSJEOA-XVMGYKCHSA-N	646.119	5.237	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc(I)c1OCc1ccccc1	408737848	PEMGTNWWSDKQGV-VNODALHLSA-N	668.532	5.804	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(F)cc1	408746212	CHNLNCCHJONENT-YVLHZVERSA-N	560.217	6.484	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)ccc1I	408747413	NNZRSRDNWGUIJI-KKMKTNMSSA-N	568.770	5.444	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408751134	WXKFICUBZCQVLD-ZXSNDDASSA-N	612.467	6.410	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1	408756075	XJAGTXBYBXEHGP-WOJGMQOQSA-N	593.248	7.121	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408762020	JLKPFYWNKUEUMP-GDNBJRDFSA-N	607.236	5.433	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)cc1Cl	408785646	XOZMFYNGNUHBOU-BIZUNTBRSA-N	558.059	6.001	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(O)cc1	408791356	WLMWEWMQHFSDIG-UDWIEESQSA-N	672.260	6.879	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	408791554	YPQKFVXHSINRIU-GZTJUZNOSA-N	512.747	6.135	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408793894	GNKYTFSXFMNLCL-RQZCQDPDSA-N	580.693	7.933	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408799198	YGGFKDPSERESOE-BUVRLJJBSA-N	665.325	7.757	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408813549	UPZGEMXBWVTGLV-JVWAILMASA-N	553.058	7.669	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(C(=O)O)cc1	408814110	RNJJLGTUXJRIKY-BKUYFWCQSA-N	535.369	6.140	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	408826625	IBXQTSDIHUWQSQ-CCVNUDIWSA-N	568.320	6.976	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(C(C)C)cc2)cc1	408827176	GGLDJQUNVFDZBA-HNSNBQBZSA-N	577.150	6.525	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OCc3cccc([N+](=O)[O-])c3)cc2)cc1	408835929	YZYXNFPGLCIKOG-PCLIKHOPSA-N	554.002	7.260	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408836561	SLEQSMFKWJIZAB-MFKUBSTISA-N	573.476	8.014	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842929	LYMUPAYSVJXSFF-AABVJFSESA-N	635.946	8.452	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408846910	RTIFIIMBGZSEES-KVAAJVFYSA-N	610.881	7.281	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(I)c4)cc3)cs2)cc1	408847664	UCJBNSOKMPVDIJ-AABVJFSESA-N	768.431	8.480	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1	408849100	YTSMNWRRMJQYLN-JJKQSNDFSA-N	623.882	7.593	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408849559	ZHTWIXPURMVRDE-FABQOPTDSA-N	643.077	7.097	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)c(OC)c1	408872782	ISIIMGIZEVEYHF-KEBDBYFISA-N	571.855	5.931	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1	408874799	AXWABKOZYVAGGP-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1Br	408878583	CAMDSEXRKSDZNX-WOJGMQOQSA-N	531.328	6.601	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1	408890751	YPSVTDSOIIVMBA-RQZCQDPDSA-N	619.799	5.995	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OCc1ccccc1C	408923908	LCCNHIZWCLTZLR-XZYGTATASA-N	656.605	7.571	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408940598	CPZWYJAEFOOTKC-HHHXNRCGSA-N	740.891	6.873	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	408949023	QFYRPVROFBEKAL-NDEPHWFRSA-N	753.446	6.062	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(I)cc2)c(OC)c1	408955688	OWHAZCHERDDVHR-MOEPSENCSA-N	777.410	5.361	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408958685	ZWIWXSOMGUVYBQ-KVNFINCSSA-N	869.407	5.112	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2)cc1	408970064	ZPNSBVZCUBOLJZ-MWAVMZGNSA-N	539.470	6.630	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1C#N	408970970	FJOZYCBQYHXKLL-BDJMIEHVSA-N	724.439	6.860	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408971951	MRWXROXCMVJFFO-KDDRLONCSA-N	679.439	7.102	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1Cl	408981944	FEGPDGDNLIUQTR-ZDLGFXPLSA-N	573.774	6.286	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)cc1Cl	408986085	ZLDDRZBVZIPNDU-IWIPYMOSSA-N	514.000	7.320	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1	408992503	SDYNXIPNENNJMU-RPPGKUMJSA-N	533.393	5.162	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)Cc2ccccc2)cc1	408996405	IEDSSDFEAFDBNJ-HQDYHJHZSA-N	598.647	5.463	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	408999408	CQWQQGGZDHWQAB-CMNDVVQPSA-N	797.307	6.435	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008350	WHWNYSLLZPLCBO-QRQIAZFYSA-N	575.709	7.116	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1ccc(Cl)cc1	409014248	HRUREGURHNYPHH-BVMLUPFRSA-N	524.404	6.048	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1O	409018423	UYYQLYHZHVTSKZ-VZRKRPILSA-N	550.483	5.275	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1ccc(Cl)cc1Cl	409032722	MVQQRSCHYFNABM-KVQWCIQESA-N	611.441	5.868	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409059224	VMXWYTCPJJAIAV-MUFRIFMGSA-N	532.493	5.632	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl	409064180	CBBRRQJCBNBKQM-RVDMUPIBSA-N	507.782	5.960	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409066035	LLATXWAGSPKEMQ-PXLXIMEGSA-N	570.589	6.454	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409075590	SCNAWQMFRPTQDA-LDADJPATSA-N	575.868	6.123	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409129545	GKULBGOIIGCCDD-VWLOTQADSA-N	537.016	5.210	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc2ccccc2c1	409137619	XIDDYFLOFJNSBR-HKBQPEDESA-N	551.687	6.200	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)cc1	409159698	RXYZMEGEHYQBEI-ROPCREHHSA-N	698.436	5.214	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1C#N	409209327	FTHVDDVHRVTVRG-NHDPSOOVSA-N	551.340	6.113	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409217831	BZXPNUQADVAGNI-RYQLKUCFSA-N	657.433	5.721	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccco2)c1	409222174	CAUKVJSUQUZUFH-CKFHYBGASA-N	513.937	5.568	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc(OC)c1OC	409224185	JSQJBIWIDWXQFO-ZGVVLOCMSA-N	703.502	6.018	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)cc1	409227961	YDBDZGJZCSZTKN-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)cc2I)cc1	409229998	BGXYGEGJTKMSLI-KBKYJPHKSA-N	672.330	5.432	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NCCCc1ccccc1	409240147	OSMOYHJRAQVURL-JAIQZWGSSA-N	623.172	7.753	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)cc1	409261186	AUKAZCACOOPBJX-XJECJHNESA-N	630.557	7.950	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)ccc1OCc1ccccc1	409312753	MGDLWYGJNXQLOI-BVMLUPFRSA-N	611.394	6.954	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OC	409316494	YGBGLUCVXTXBNX-BVMLUPFRSA-N	655.316	6.913	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1OCC	409333064	IDXOFSGBSNPNDT-APTWKGOFSA-N	638.502	6.983	50	40	KKGB	
N#C/C(=C\c1ccc([N+](=O)[O-])c(N2CCCCC2)c1N1CCCCC1)c1nn(-c2ccccc2)c(N)c1C#N	409333404	JNCCKPZCXRDGEI-RELWKKBWSA-N	522.613	5.279	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409365168	SXMXSXZGQFTWMS-SXGWCWSVSA-N	569.343	5.068	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Cl)c2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409367528	DJRNOTHMNKOMRU-DBFSUHOCSA-N	552.911	5.913	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409368203	UPHZWLLZNVIROR-WKULSOCRSA-N	507.377	6.740	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccc(Br)cc1	409383810	IPLZQOZSNJFXPV-YBFXNURJSA-N	602.373	8.456	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4C#N)c(I)c3)[nH]c2c1	409391766	LFJWYZFIQDLSBP-GRSHGNNSSA-N	532.341	5.691	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)cc(OC)c1OC	409395075	JMQSJLMWLROPCB-UHFFFAOYSA-N	646.469	6.745	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395469	NYFZKQRSMAKJBV-UHFFFAOYSA-N	583.398	6.489	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCC(=O)O)ccc4ccccc34)o2)cc1	409405705	USYJJTYJOGWEJW-KYHGBAKBSA-N	537.572	5.647	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409406926	YCIYEBVIKMZCQC-YKQZZPSBSA-N	501.583	5.827	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c([N+](=O)[O-])c3)o2)cc1	409407326	ZKBFMQPEOXADAJ-RODHXAHZSA-N	660.058	6.748	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	1438103	DCFJMLJOYXLODS-RUZDIDTESA-N	519.026	5.948	50	40	KKGB	
O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1ccccc1Cl	2738903	OKVHDQNOYUQXAD-KBVAKVRCSA-N	527.053	5.928	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	12250502	VILNPRPAINMINP-HHHXNRCGSA-N	526.662	5.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc(C)c(CC)c2C#N)ccc1OCc1cccc(OC)c1	20191295	PYVCETCRJNIVJJ-CIAFOILYSA-N	501.608	6.023	50	40	KKGB	
COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	97965800	LZLPLEVXSZDVRR-PXLXIMEGSA-N	535.600	6.889	50	40	KKGB	
O=C(N/N=C1\C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccc(Br)cc21)c1ccc(Cl)cc1	97966611	OSLUSLGCYPJVKE-AKEWKYQOSA-N	552.860	5.163	50	40	KKGB	
CCOC(=O)c1ccc(/N=C(O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1	97968644	CEDKVQLAPZBVFF-NLTRVXJZSA-N	576.472	6.340	50	40	KKGB	
Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2	97983947	NXUMXIWYVRKXMF-TXNARGATSA-N	598.647	7.928	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	97999995	QNLFSJCROHIXRT-QHCPKHFHSA-N	576.900	5.360	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(C)cc1	100227547	UPTUCVYVCJQBPL-XKZIYDEJSA-N	552.412	6.431	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Cl)cc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852110	SRVURPXCNJIJDT-KCSSXMTESA-N	582.557	7.180	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1c2ccccc2cc2ccccc12	100859684	CZZCEULXBZOBDY-DPNNOFEESA-N	549.059	6.532	50	40	KKGB	
[O-][n+]1c2ccccc2[n+]([O-])c2c([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(O)c(-c3cccc(F)c3)cc21	101239279	CJGQAEILKRZWFW-UHFFFAOYSA-O	583.579	5.391	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1cc(Cl)cc(Cl)c1)=C(C#N)[C@H]2c1ccc(Cl)cc1	102094099	ZXCXAGNWZBPOKV-HSZRJFAPSA-N	546.907	7.084	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc(OC)c1OC	104581098	IEGIXRMQJTWCHW-HNSNBQBZSA-N	533.584	6.035	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(C#N)c1	107949619	FGASBBRYPFPMMR-OCKHKDLRSA-N	528.631	7.380	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	150427572	NEGXOGUKKLPSGT-VYYCAZPPSA-N	638.256	5.632	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1Br	164576439	DMFYBMKARUSAMC-YPXUMCKCSA-N	635.965	7.624	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc2ccccc2c1	164706708	NZWRBXYYBWWCGU-USHMODERSA-N	643.525	6.678	50	40	KKGB	
FC(F)(F)C[C@H](I)CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	169795494	QWCAFBFEHOLPAC-FGZHOGPDSA-N	698.396	11.520	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc2)cc1	211057466	XWZBGTMEPQKXRO-GZZLJNBRSA-N	570.671	5.073	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1	245241835	QSICSTVCRXGVRM-UHFFFAOYSA-N	557.488	6.883	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539698	JLVOQTMIYRRAMG-HQDYHJHZSA-N	623.931	7.432	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552623	RQOGJCBEGLWWJC-DBFSUHOCSA-N	626.278	6.087	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(I)cc1	408569672	PKKVFGZXPTXKLS-WGARJPEWSA-N	577.513	5.706	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408570256	TYJGVWTZMXJJSC-AMVVHIIESA-N	634.549	5.622	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408637847	BHKVXHMPPPJHLN-OAHLLOKOSA-N	671.550	8.280	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408677956	WJZAEISDXDVPIT-FJEPWZHXSA-N	577.306	6.708	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1	408724227	IIFDFUDSSJZNJI-HPNXWYHWSA-N	557.053	7.689	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408732023	OENKWPDKUYVVCU-MNDYBZJGSA-N	539.573	5.258	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1F	408744674	MMIPVUYFVCXQIR-ODLFYWEKSA-N	542.348	5.872	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)c2-c2ccccc2)cc1	408744988	ONSZWFHVXYJGLP-SGWCAAJKSA-N	616.515	8.296	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1	408792277	AECRBIVILIOIFI-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccccc1Cl	408799009	XSEXZYYIZUYHNH-LZYBPNLTSA-N	566.666	7.543	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(I)cc2)cc1	408799062	XWKAVQPAXQESJH-RCCKNPSSSA-N	552.368	5.593	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)Cc2ccccc2)cc1	408832193	RODHEFVPBWFMPM-HNSNBQBZSA-N	605.116	5.007	50	40	KKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1Br	408835003	WOQBGYXLQIEAIJ-XSFVSMFZSA-N	566.249	6.348	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccccc1Cl	408838395	FDWQYKQBBLSOOA-QNVXDBMFSA-N	682.427	8.975	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408839408	RREOXBSYYYMIKE-PUHLOBNQSA-N	712.365	8.114	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408841452	KGUWLVKHHJXRSO-RRAHZORUSA-N	553.684	5.553	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408841910	HECMXFAMIKXERY-PUHLOBNQSA-N	667.914	8.005	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC	408841932	HHQKOMFQCIEJIC-KVAAJVFYSA-N	711.363	6.473	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)ccc1Br	408852831	JBOOPSZDUYSZDP-GXBUFBABSA-N	565.515	7.695	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1	408855205	DHFSQBLUKPLTNN-WKIKZPBSSA-N	542.227	6.609	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	408856865	FCXSQLXHNCPKDB-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1Cc1cccc(F)c1	408878102	WMZMQQIEZXQUGK-SRZZPIQSSA-N	507.403	6.740	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	408890466	UGFLOHGWZGVEFL-SZXQPVLSSA-N	574.658	7.041	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCC	408904007	CFHHPJDRSFGTRV-JJFYIABZSA-N	546.203	5.315	50	40	KKGB	
O=C(O)c1cccc(COc2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Br)c1	408905604	ZSOLJNSOQKASSB-ZRGSRPPYSA-N	538.310	5.145	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccccc1F	408921794	BZQWACIDOUUHMR-HYARGMPZSA-N	545.408	7.265	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1C	408924571	MYVFZQAHAUMMNX-KKMKTNMSSA-N	569.226	6.258	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(I)c1	408948600	PPBZJNUMDPQDQC-MHZLTWQESA-N	889.348	6.122	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccccc1F	408948837	PVSRQSALJOVZEJ-WJOKGBTCSA-N	616.715	5.018	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)c(OC)c1	408952515	KOYXHLKYQYGZKP-HVJLQFNCSA-N	729.968	5.108	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	408972035	OPKABXWSAWWRRK-IEBNKFCASA-N	629.338	6.661	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(I)c2)cc1Cl	408981492	BJLRMZGKUOQPKY-ZDLGFXPLSA-N	563.222	7.031	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc(OC)c1OC	408997033	LAJZNNURFORTQA-HNSNBQBZSA-N	567.598	5.256	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408998088	JZUIOBQLEUREDB-QWKCNVQFSA-N	546.454	6.584	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccc(Br)cc1	409011356	GGCAULUFFTZPMA-VFLNYLIXSA-N	698.149	7.304	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	409012860	IZVZDHQOZBUAIW-NAMDRFPESA-N	678.569	6.345	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)c2)cc1C	409015249	ZCSIYEFIGRHWDP-KKMKTNMSSA-N	575.257	5.315	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409015810	BNGHHFSDYQPZNT-WBIBEUCMSA-N	602.131	6.363	50	40	KKGB	
C[C@H](C(=O)NN=C1CCCCCCCCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409027393	BYOOCDNYUCREBA-HSZRJFAPSA-N	513.704	6.410	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409028034	ISAZJAYTWHPMRW-FABQOPTDSA-N	659.592	6.162	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409028433	OCKFUXLCRFMXJY-AMVVHIIESA-N	597.307	6.906	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1	409028520	OEESMMCVONXJKJ-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccccc1	409037450	CNGMWNHENZQRLB-GXBUFBABSA-N	536.031	7.297	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(I)cc1	409047748	MYYZJJBGIHUEPQ-IPHFVPNQSA-N	623.494	7.578	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409069019	VHTCSBTWPYGKOX-SFQUDFHCSA-N	575.824	5.202	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409085541	SKUCFKDMODUCBA-OVCLIPMQSA-N	602.195	6.674	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409144036	PBGIJQHZVYGMPR-FDAWAROLSA-N	612.933	6.236	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1OC	409147577	YUKJKBOIVMBJBG-MUFRIFMGSA-N	606.926	5.017	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409195802	SCCBOOLPLILNHJ-KVSWJAHQSA-N	512.220	6.581	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)c1ccccc1	409219649	OSPXCSMMDGCKDG-UHFFFAOYSA-N	552.543	5.229	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc(Cl)cc2Cl)c1	409219930	RTLWGZVDHLXMIX-UHFFFAOYSA-N	754.646	8.416	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1ccccc1	409222662	CSZWCJMBUZPEMG-VRKJEAOJSA-N	520.243	7.664	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccccc1Cl	409229140	KGCKGIWFGBOLEV-KKMKTNMSSA-N	610.905	5.572	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409247312	MLUKLENZFYNEIM-UUASQNMZSA-N	604.637	8.553	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409254150	HUXKTTNPZOZVKK-ODNPBWNPSA-N	640.165	7.696	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409254584	ZQXAHOMJCAPKRM-YBFXNURJSA-N	601.828	5.194	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(Br)c1OCc1ccc(Br)cc1	409257613	RDRQBGPLVBFXKJ-MZJWZYIUSA-N	562.258	5.962	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)ccc4OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)cs2)cc1	409260209	MPBLZLYWJJFAEL-RODHXAHZSA-N	644.584	8.259	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409268741	YKJJKACCEAFDAD-GIJQJNRQSA-N	683.852	7.234	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409311472	GFMRZTKNZIEMMC-LJUMEUDFSA-N	589.914	7.032	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)ccc1OCc1ccccc1	409315259	IQVQKDXGNAZSCZ-MZFJOGFUSA-N	515.009	6.661	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409318602	XFEKQOWYWFRJII-MNBJERMJSA-N	552.027	5.484	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)ccc1OC	409323084	MPWNPPCZKISOMT-LJUMEUDFSA-N	563.448	6.361	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)ccc1OCc1ccccc1	409324420	SLMYMBCUNWFCCE-KYHGBAKBSA-N	624.329	7.142	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(F)cc1	409368886	REKXPTWNPNAPLO-PPDIBHTLSA-N	573.271	5.236	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccccc1Cl	409371232	DDWNRJLILJETDE-WQRHYEAKSA-N	533.768	7.126	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)c1ccccc1F	409372125	SCZHPNPCJJKSMK-BOPFTXTBSA-N	581.166	6.678	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409373147	MUPZRZSQLTVATH-HNSNBQBZSA-N	538.600	6.017	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(Sc3nc(-c4ccccc4)cc(-c4ccccc4)n3)c([N+](=O)[O-])c2)c1	409373165	RIRLWZZQZCPQSA-UCMJSZAQSA-N	588.649	6.592	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCc1ccccc1	409373687	YWSSUXIDQUFVNN-ODLFYWEKSA-N	593.202	6.548	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409377252	GZJYVNAJEZXXHT-LICLKQGHSA-N	526.318	5.587	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409378790	RXDBINVVKIVUQI-ODLFYWEKSA-N	529.232	5.886	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(Br)cc1OCc1ccccc1C#N	409391034	HCKVTPAVGZWJIV-JMIUGGIZSA-N	529.394	6.248	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409394522	BNMBPSUOPGMSQD-UHFFFAOYSA-N	694.811	8.062	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)c1	409394837	GMVIYXFVZBKLCN-UHFFFAOYSA-N	807.664	8.610	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409395370	MTJCVJWHVKUOJU-UHFFFAOYSA-N	809.534	9.521	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)[nH]c12	409395719	QXULMNLNDGIMLR-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397412	JOUPNUOVDIZPQB-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397513	KQNIEUQZMLGJFW-UHFFFAOYSA-N	587.554	6.854	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409399343	ZTDDZUXILYAPLZ-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
CC[C@@H](C)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401017	FZCPTERUSUMPCH-ZDSCIVGOSA-N	520.029	6.861	50	40	KKGB	
Cc1cc(-n2cccc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1Cl	409407480	GEYYMOFUKVUDFY-CAQPMQTCSA-N	527.024	6.783	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccc(Br)cc1	409410419	WXIFDJXAOGJZFB-QJOVZPHJSA-N	656.533	7.410	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc(C)cc2)cc1Br	1529547333	KOFSANIHAQOERV-FRMANHBFSA-N	681.609	5.230	50	40	KKGB	
CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCCCC=CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C	2362804915	QVVFTRVOFCNHCE-DJJHVAOBSA-N	691.255	15.387	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCCc1ccccc1	1783964	QBMMSDQUGGASAF-DPNNOFEESA-N	552.656	5.214	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc4ccccc34)nnc2-c2ccc(Cl)cc2)cc1	1902266	SGILCEXXIWCNSO-FDAWAROLSA-N	542.064	6.382	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1Br	2080883	IMHDPERLNVXWSR-QDCCHXAWSA-N	544.243	5.685	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccccc1	14152177	GSRURHSWFCBHEA-YBFXNURJSA-N	504.011	6.285	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3c(C)cccc3C)=C(C)N2)cc1	20347505	LUZXQKOKJJONRX-MHZLTWQESA-N	526.662	6.165	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	28217809	HLMNCMGMWWFIQJ-VATWTLTGSA-N	517.807	5.528	50	40	KKGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccco2)cc1	33573927	BDTPACHQOZSPKC-DOHZFVLNSA-N	509.400	5.813	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(Oc4ccccc4)c3)n2-c2ccccc2)cc1	58993597	HIEMNATYAPNUJJ-GTWSWNCMSA-N	535.629	5.978	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1	59245215	HWBXZYHWLQRJKN-FYJGNVAPSA-N	503.385	7.280	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc(I)cc1	59473036	LPXJRBYGHCHGOE-KOEQRZSOSA-N	500.405	5.879	50	40	KKGB	
Cc1cc(C)n([C@@H](CCl)CN(Cc2nnc(-c3ccccc3)o2)Cc2nnc(-c3ccccc3)o2)n1	69699871	ZSXZTVUHZFAWAM-QFIPXVFZSA-N	503.994	5.082	50	40	KKGB	
CCCOc1ccc(C(=O)[C@H](Br)CC[C@@H](Br)C(=O)c2ccc(OCCC)cc2)cc1	97954242	JHCMLWIFIGOOJP-FGZHOGPDSA-N	540.292	6.637	50	40	KKGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c1O	97961085	VJRVVJJYNOQHPV-ARYDNVFGSA-N	524.253	5.477	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	98000340	KVGLDLBHOQZZHE-LJAQVGFWSA-N	556.087	6.863	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1OC(=O)c1ccc(Br)cc1	98001673	BFMAHWUMCULCPE-YPXUMCKCSA-N	646.075	6.175	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1	100211433	SUVATPZJSPUZPL-UXHLAJHPSA-N	566.035	5.122	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100232895	KKRJUDXQOXZIMD-NVMNQCDNSA-N	582.119	8.560	50	40	KKGB	
CCCCCCCCCCCCOC(=O)c1ccc(Cl)c(NC(=O)[C@H](Br)C(=O)c2ccc(OC)cc2)c1	100620278	PRWXKCMBJJOJSM-AREMUKBSSA-N	594.974	8.011	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2nc3ccccc3s2)N1	100892201	KVQQKTXYVHTGLM-DEOSSOPVSA-N	595.628	6.615	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)N2CCCc3ccccc32)N1	101043210	XZVMDOWBLRQKED-HHHXNRCGSA-N	545.064	5.980	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1	101475103	BGWSUMFHGJCKTN-RDRPBHBLSA-N	524.477	6.490	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	103589022	QDNQUGAYOJXLKZ-GZTJUZNOSA-N	540.022	5.749	50	40	KKGB	
O=C(CSc1nnnn1-c1ccc(Cl)cc1)N/N=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12	103786287	GMKGTVVENHWQFR-XKJRVUDJSA-N	554.438	5.354	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882862	CLOODSCEEOQISZ-STZFKDTASA-N	599.298	6.185	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(Cl)cc2)cc1	103895257	FKYNWEOPUKBWCP-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2cccc(Br)c2)cc1	103902877	GGLCBEITTNDYKK-CCVNUDIWSA-N	554.388	5.122	50	40	KKGB	
CC[C@H](Cl)COP(=O)(OC[C@H](Cl)CC)O/C(C)=C(/C)OP(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161417	LIYOQJAPSXULFY-SWDTZISFSA-N	610.276	8.623	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	112254695	DBZOZLMBLUIYAL-VULFUBBASA-N	532.232	5.492	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341967	LQKFQCVCSLMLLV-JOCHJYFZSA-N	1004.570	16.527	50	40	KKGB	
Oc1ccc(Br)cc1C1N(Cc2ccc(N(CCCl)CCCl)cc2)CCCN1Cc1ccc(N(CCCl)CCCl)cc1	150369876	DFWKMEKSLPZNED-UHFFFAOYSA-N	717.407	8.129	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCC[C@H](I)CC(F)(F)F	169795395	DTGLJFKPCBHNBK-KBPBESRZSA-N	586.180	8.399	50	40	KKGB	
CCO[Si](OCC)(OCC)[C@@H](CC)N(C/C=C\c1ccccc1)[C@H](CC)[Si](OCC)(OCC)OCC	225817060	XGCBTBASHSIEKP-LWYROJMOSA-N	541.878	5.734	50	40	KKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	253514201	PODSSBXKTWSWQL-CFKYTDMNSA-N	510.923	10.360	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1	408538557	OSKCTFMBQNLVLT-LGUFXXKBSA-N	539.031	7.442	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)ccc1OCc1ccccc1	408539983	LIPXZJNIWGNIML-OHUYPAJKSA-N	590.032	6.577	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552456	IQIXBTSRLRDVMO-HCNMGLPWSA-N	648.366	6.978	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccccc1F	408555115	VPVKSRWYWPPHHQ-YBFXNURJSA-N	580.479	6.924	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1cccc(F)c1	408583517	VJKCRHWZCDWLSP-KEBDBYFISA-N	512.375	6.647	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c1OCc1ccc(Cl)c(Cl)c1	408610218	MVKOONXTMKVUEN-IBBHUPRXSA-N	528.436	5.471	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1OCc1c(Cl)cccc1Cl	408611396	WBYLFQKSJBAOHI-MRXNPFEDSA-N	500.382	5.077	50	40	KKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408691541	CZKNFMJGCXXBOX-JAIQZWGSSA-N	533.382	6.292	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(Br)cc3)cc2-c2ccc3ccccc3c2)cc1	408727418	WQMXKOUTHIGBOH-UXHLAJHPSA-N	509.407	6.527	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1ccccc1	408731447	MPMWXFLLBRKMHK-RZHIIDJMSA-N	547.614	5.806	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Cl)c1Cl)OCc1ccccc1	408738411	SEDKUDNYSXSBPR-HOKMHICDSA-N	554.390	5.371	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408742894	CNQRIIXDAYUWST-PXNMLYILSA-N	658.117	7.494	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NCc1ccccc1	408746899	HKUSODQDQJUBFF-LSCVHKIXSA-N	550.667	7.212	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)ccc1I	408747573	PTCDMDHFKMTEQC-KKMKTNMSSA-N	660.221	5.395	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1	408760254	VMZPNQBRERBTEI-YBFXNURJSA-N	511.803	6.626	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1cccc(C)c1	408796698	PPYBEHTWUSKRRJ-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)c1C	408798061	UCHXRMQVGHJSOL-VXLYETTFSA-N	558.245	7.092	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCC#N	408798923	XOKMDZMHFPYROI-OVCLIPMQSA-N	521.742	5.100	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(C)c(C)c1	408803757	TVBYKJVYDIAMTB-VUTHCHCSSA-N	532.640	7.406	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408812192	CNAVIUVTRUFEEO-DTUGYKJQSA-N	570.093	6.268	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1ccccc1F	408814722	HNGATYJOXSTKHO-APSNUPSMSA-N	529.749	6.095	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	408818058	OUWKODLWBSNNSE-IPBVOBEMSA-N	528.219	6.417	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OCc2ccc(Br)cc2)c1	408822957	DBTNLPCIABDKEH-LFVJCYFKSA-N	648.351	7.924	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1	408826561	JUXDTTSDVJFMPI-STBIYBPSSA-N	522.026	5.396	50	40	KKGB	
Cc1nc2sccn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408827340	IWEMZHAAJUKPOO-MBTHVWNTSA-N	568.080	5.106	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408837566	IVWBFAKKZQRSIC-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408840668	HQFFIBRPYDUTDX-XZYGTATASA-N	664.622	6.616	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408840855	CIGQTUOLLPSRCH-FJEPWZHXSA-N	626.374	7.716	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccccc2)cc1	408845059	XTPDIUQLMHDKQH-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)cc(C)c1OCc1ccc(Br)cc1	408847806	SDSFHDSHBBSCJA-XQNSMLJCSA-N	517.467	7.488	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408849061	XVLKNHDPSQHYNQ-PTEHHBOZSA-N	731.297	9.728	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c(Br)cc1OCc1ccc(Br)cc1	408850724	DDDKJIWVHYPISM-KVAAJVFYSA-N	685.482	8.301	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccccc1Cl	408854017	VQVCAGKZSQEYER-ACXHZZMFSA-N	567.867	7.319	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)c(Br)cc1OCc1ccc(Cl)cc1	408857874	PIKDGRKHUSDKOD-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1C	408864296	YJGZDXBJRAGNAU-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1Cc1ccccc1Br	408866497	GBZNELKPZKUPRZ-VCHYOVAHSA-N	574.700	7.400	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(I)c2)c(OC)c1	408868826	NIZDLSWYMGBDPO-RGVLZGJSSA-N	572.374	5.250	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	408868920	PXVPLJRNAUWORP-LICLKQGHSA-N	580.198	7.355	50	40	KKGB	
Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1	408878118	ZXORYZBCJDCLIT-FYJGNVAPSA-N	524.256	6.965	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408885570	CCCZHRCEIKLHOS-OVCLIPMQSA-N	598.322	5.910	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1ccc2ccccc2c1	408888544	WWVUHOMASHZERT-VULFUBBASA-N	535.310	5.975	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408896190	QANNULPQCOMITG-CPNJWEJPSA-N	521.367	5.621	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1cccc2ccccc12	408899519	PZAGGFYYZJEYCT-LPYMAVHISA-N	527.964	6.843	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408925248	QSMBHAATOWWCHQ-XQNSMLJCSA-N	533.971	7.679	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C#N)cc2)c(I)c1	408947099	NRDCMQBOQGKSTC-NDEPHWFRSA-N	788.462	5.389	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc(C(=O)O)c1	408953368	WBSWTMJEIIOSSW-DBFSUHOCSA-N	571.811	6.289	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc(C(=O)OCC)cc3)c2-c2ccccc2)c(OC)c1	408954364	NLODAMGQNLZPCI-ZOZLBAFDSA-N	755.828	6.717	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCc1ccc(Cl)cc1Cl	408955929	PQRYUMZGRJJXMW-DYVXTGDVSA-N	681.573	6.030	50	40	KKGB	
Cc1ccc(OCCOCCOc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1C	408969702	SDWPSXXUBJHCAR-HAVVHWLPSA-N	535.438	6.086	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1cccc(F)c1	408982036	FHZXPBPRBBTNMC-LSCVHKIXSA-N	576.793	6.525	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2I)c1	408983851	NTMXZMYDTYZKPB-OCKHKDLRSA-N	621.700	7.449	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408984377	QHACYUFSBRBFRO-VXLYETTFSA-N	570.827	6.843	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)c1	408992630	SROPVJFRVDOWPD-YWJDCOKXSA-N	623.716	6.889	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	409008865	NRVOLZREPCPKCO-STBIYBPSSA-N	532.493	5.501	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1ccc2ccccc2c1	409015696	RVEUANRIGSZEEC-HIWRWHBISA-N	781.182	7.909	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1F	409029076	VMFBWESXYNLCED-ZTCXCAHESA-N	548.640	5.330	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409035551	TUUQRWAKTMUQBK-KCSSXMTESA-N	539.060	7.550	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1cc(-c2ccccc2)nc2ccccc12	409037084	XKBXWUBYCJLBFH-DXJNIWACSA-N	502.530	6.153	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc12	409044193	UAWJUOTYDGLMAI-LPYMAVHISA-N	576.288	7.798	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409050213	SNUMFQXXYGHVRC-YBFXNURJSA-N	626.407	5.470	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(I)c1OCC(=O)Nc1ccccc1Cl	409151555	CFNQZPWVHILQPA-FJEPWZHXSA-N	648.885	5.012	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	409181211	ZDBASZMNVZACQS-VFAVGRHPSA-N	575.668	5.731	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(I)cc1	409192241	BOQIMNFLLKWPTK-UVHMKAGCSA-N	660.677	6.291	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409221439	QICKPRPTXOHZIG-RIRGPFDCSA-N	510.590	5.875	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccc(Br)cc1	409223731	IJTHFJGYOPKNSZ-UHFFFAOYSA-N	600.469	6.392	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)c2)c1	409225415	QLSXHMLLQZHVIT-UHFFFAOYSA-N	570.443	6.301	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccccc3)c2)cc1	409226477	UCTLODNCPPXLFQ-VAHONXLCSA-N	661.350	7.155	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1F	409252380	XMJIFDKTUXQYMG-WCEBZYJUSA-N	509.375	5.960	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409263285	INCAGLBZBLIPLN-NUJZUDFISA-N	574.859	5.600	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1C	409266981	ZNROGPLWQGSEAY-LPYMAVHISA-N	518.013	6.227	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccccc1Cl	409269955	MOGBMMXJGKHUPU-XCHWQBBTSA-N	570.871	5.583	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409271215	KPLWUJSXDDAFMR-IPBVOBEMSA-N	722.013	6.720	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)cc1OC	409301853	GVVDZWPDJKPRGN-UHBFCERESA-N	559.432	6.127	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1OCC	409311002	DBXCCRAHUFARRD-MWLSYYOVSA-N	588.296	6.518	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1OC	409315322	IWKJOGQKXRICSK-NUJZUDFISA-N	655.181	7.114	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc2c(c1)OCO2	409365349	QOZYXNHHHVVONP-IDUWFGFVSA-N	547.630	7.237	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccccc1C#N	409373707	SYXAWNFFKQIWLS-VTNSRFBWSA-N	558.432	6.224	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(Cl)cc1Cl	409373912	WHDFTMJGMHZZNF-VWJSQJICSA-N	602.312	7.659	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1nc2ccccc2[nH]1	409383851	LFNYPHWWUYIEFM-CHHVJCJISA-N	672.091	7.722	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1cccc(F)c1	409391587	IVWUFQAZMRGCOE-LSCVHKIXSA-N	625.175	6.376	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)cc1	409396634	ZOONXGOLPNWBJO-UHFFFAOYSA-N	542.422	7.433	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)cc1OCC	409396782	BCKLTNCIWLKXEA-UHFFFAOYSA-N	575.665	7.232	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)c(-c3ccccc3Cl)c2c1	409398267	SBEXRLLSTTYFGN-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409398699	VGGQGLDAFNVTJO-UHFFFAOYSA-N	591.973	7.499	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409399100	XTNVFXRTEVCVIV-UHFFFAOYSA-N	561.947	7.490	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409399365	ZYSQSVDAZYEHKT-UHFFFAOYSA-N	531.612	6.834	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)Nc1cccc(F)c1	409402722	KRVWPUOXOSCCRG-OCUJFKKWSA-N	723.983	7.611	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1ccccc1Cl	409403754	NQXOWIJXWAURAM-PQKVGRGHSA-N	638.164	8.390	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccc(Cl)cc1Cl	1529549244	WTCFXCGNDQPPHP-JQJFYRLNSA-N	832.342	6.825	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2-c2ccccc2)cc1	2834428	IAAIOIHBRZLDNW-QUPMIFSKSA-N	537.619	7.534	50	40	KKGB	
CCn1c(C)nc2cc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)ccc21	3183184	PKQRJCVQAXGXCW-MUFRIFMGSA-N	527.426	5.744	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)[C@@H](C#N)C12CCC(c1ccccc1)CC2	3183699	UDIFBYLSKYEHFC-DRMRFRMASA-N	535.467	5.470	50	40	KKGB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc1Cl	9462280	ZSAPGHRJQNVBAC-HMMYKYKNSA-N	507.981	6.282	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2cc(Cl)cc(Cl)c2)cc1	19926463	UANVRLDXGAEABL-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)cc1	19948729	OWAJTABIIIBMSH-RDRPBHBLSA-N	501.608	5.014	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	20207239	VIPQTEIYRLSVIY-RPPGKUMJSA-N	515.966	5.074	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)c1	28217138	IMGBEVWAXUTNJS-NSAYQLMESA-N	522.674	5.941	50	40	KKGB	
Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)c(=O)n(-c2ccccc2)n1C	29490952	KKZSKYHLVVBHOU-MEFGMAGPSA-N	586.696	6.308	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	33353317	ARWGMGAXBAJOAU-AABVJFSESA-N	553.449	6.615	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)=C(C#N)[C@@H]1c1ccco1	33354747	RGISADRIAJNNRL-LJQANCHMSA-N	596.257	5.370	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccccc2-c2ccccc2)ccc1OS(=O)(=O)c1cc(C)ccc1C	58993027	WJTPUULPEIPFEB-DXJNIWACSA-N	544.629	5.276	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1OCc1ccc(Br)cc1	59266455	PXMIRGOHBNOCOO-CJLVFECKSA-N	513.391	6.736	50	40	KKGB	
O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc5c(c4)C(=O)OC5=O)cc3)cc2)cc1	98001587	ASVMZFKGRISIKB-UHFFFAOYSA-N	732.657	8.189	50	40	KKGB	
Cc1ccccc1[C@@H]1C(C#N)=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C1C(=O)CC(C)(C)C2	98006059	NNQMFBBTVQKJES-HSZRJFAPSA-N	581.689	7.099	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)CCC(=O)NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O	100050629	SMEPRGMDOPTYGL-UHFFFAOYSA-N	608.864	7.350	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	100135479	MPZGLPTYDLRZCT-SFQUDFHCSA-N	522.311	5.131	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1	100405729	SQCIGMBEMLCDLJ-XKJRVUDJSA-N	564.800	6.011	50	40	KKGB	
O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	100500230	OUVJYVNYMXTNTC-UHFFFAOYSA-N	563.326	5.293	50	40	KKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1	102666573	JONJLTJNRGECMC-CIJRZJQLSA-N	550.511	7.401	50	40	KKGB	
COc1ccc(/C=C\C(=N/NC(=O)c2ccccc2)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc2C)cc1OC	103847763	SIZCKXICDRTWFS-YVPPBAGJSA-N	543.605	5.968	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1Cl	103890454	HCTIPHAKNKQYFK-YVLHZVERSA-N	580.693	7.933	50	40	KKGB	
CCC(P(=O)(OC[C@@H](Cl)CC)OC[C@H](Cl)CC)P(=O)(OC[C@@H](Cl)CC)OC[C@H](Cl)CC	104161253	AVSWALKQPVFJPV-MESYSKSMSA-N	566.267	8.245	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1cc(Br)ccc1O	150420703	WFRPSBLLPWZOGY-IGTHXMFTSA-N	637.446	5.030	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)c(C(=O)OCC)c1C	150551965	VNMJUDDCLWYNPU-CIAFOILYSA-N	673.525	6.321	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	162494952	RMYSSCUWKZYDBS-FABQOPTDSA-N	646.980	6.970	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(I)cc1	164705497	HIFQDARBWPWWSL-KQWNVCNZSA-N	627.910	6.178	50	40	KKGB	
CCOC(=O)C(CC12C[C@@H]3C[C@H](CC1(C)C3)C2)(CC12C[C@H]3C[C@@H](CC1(CBr)C3)C2)C(=O)OCC	170623248	ZCNRWLAUYHYCSK-BOLBMDRUSA-N	535.563	6.687	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408541442	GGVPMIQPGMHAAS-IDUWFGFVSA-N	668.200	5.858	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408543149	POSAEHZFVIWNQM-IWIPYMOSSA-N	570.443	6.680	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551796	GFABIBWIIXOEOH-OVCLIPMQSA-N	546.794	5.924	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408552905	LOJDPDYBOFBVPK-SXGWCWSVSA-N	605.272	6.336	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Br)cc1	408565739	AAUUJNUKLURLDV-CCVNUDIWSA-N	607.286	5.951	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1	408565786	AKKPZOLGRSMQHR-ZMFRSBBQSA-N	579.778	5.594	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)cc1	408599142	FGRQOJWLSOICEF-MUFRIFMGSA-N	535.429	6.356	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1	408602291	CSHZULVMDIPOJR-QGZVFWFLSA-N	514.409	5.467	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1	408606727	ALKYOBNXGZHTCJ-MUFRIFMGSA-N	514.409	5.840	50	40	KKGB	
C[C@H](NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl)c1ccccc1	408607835	FCZARJGFPMTLBQ-VMJBBSNPSA-N	549.252	5.662	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)cc1	408611229	QJHFXKCOWGMLPG-CCVNUDIWSA-N	500.382	5.232	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2)cc1	408676120	FQPKNZLTXPCFNN-JVWAILMASA-N	523.387	5.300	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408718936	WRMIEFSDNDSFIZ-OWHRJLFZSA-N	540.285	6.620	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408724762	ALXSCEVLDOMSGM-QNKGDIEWSA-N	603.766	6.040	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408738256	QVSRTRMDNVQEHI-HOKMHICDSA-N	551.987	5.433	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c1	408743468	GANRNKVJYAKMCB-NVMNQCDNSA-N	526.774	6.444	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408763525	PJDJZIOLCPLKIM-MHWRWJLKSA-N	606.838	5.723	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(Br)c1	408763757	QQLSBDHPPFXFFW-LSCVHKIXSA-N	571.656	6.861	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3ccccc3Br)cc2)cc1	408771127	FLTMNJNORYXTAX-MZJWZYIUSA-N	526.456	5.159	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1C#N	408790830	RHIPOSWYTVSCMB-RGVLZGJSSA-N	581.264	6.607	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408790957	SDIYOUDEHULPSS-GIDUJCDVSA-N	599.081	7.782	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(I)cc2)cc1	408793410	FFKXZGTUCOCVEU-XMHGGMMESA-N	510.331	5.424	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408796733	PRYKXLZMZXGQFM-LICLKQGHSA-N	622.200	5.726	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408798980	XMDPXELKYHXKPK-CIAFOILYSA-N	550.409	6.498	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	408832429	YNQPRJAJWPUBGO-AUGOTPMTSA-N	554.694	6.505	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408842440	KERVNSBAQRAHBJ-FJEPWZHXSA-N	720.374	7.400	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1ccccc1Cl	408843640	RLHOLKPPRQUTBB-XAZZYMPDSA-N	544.986	6.831	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Cl)cc5)cc4)cc3)cs2)cc1	408844062	OKPUMSLCHVBZHZ-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1	408845099	JZKYYDHEYHXGDZ-ZXSNDDASSA-N	530.628	6.411	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(F)cc1	408846192	XUMURRJJEGHDCY-IIHBXENTSA-N	637.453	7.088	50	40	KKGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408853106	LODLZTVJQRELEB-FSGOGVSDSA-N	561.423	6.386	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Br)cc1	408865705	DOEFLCGLFRLCGD-OVHUDYNESA-N	550.291	6.076	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408868804	OXGVLKNSCDQWNQ-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	408872000	IXQTXKHANRTYID-PPOKSSTKSA-N	539.079	6.005	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1ccccc1Br	408873452	UHFJGQHPLSPVOK-XDHOZWIPSA-N	544.674	7.310	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(OC)c1	408875607	KOZNACYRDDTUGM-DJKKODMXSA-N	576.274	6.575	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408879603	FLYYBSUUDJHSAA-KOEQRZSOSA-N	694.547	6.891	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408881326	MQSGCQAQDJZENT-LICLKQGHSA-N	508.874	5.290	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl	408883440	VFNLBPPFCUXNLD-KKMKTNMSSA-N	585.225	5.715	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408884807	ZXMKMTQRJCHLFG-CIAFOILYSA-N	552.412	6.149	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408891979	WRRGZDMMUFOXAO-RIYZIHGNSA-N	529.292	6.156	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2I)cc1	408897808	ZQPAEPVVNANHOT-WKULSOCRSA-N	646.266	6.700	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc(C#N)cc2)c(OC)c1	408954336	NKMAEYRWINZKGE-DBXYLJAYSA-N	666.518	5.173	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	408954458	ZJGLGHZDJMNGOH-HHHXNRCGSA-N	760.461	5.374	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(Cl)c2)c(OCC)c1	408954852	ZUUSECKRWSVHEN-LJAQVGFWSA-N	716.054	5.965	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Cl)cc1	408963349	NJOVNFKGOBOAGD-XKJRVUDJSA-N	541.751	6.473	50	40	KKGB	
C=CCc1ccccc1OCCOc1c(Br)cc(/C=N/NC(=O)NC2CCCCC2)cc1OC	408968605	AFTFLELYBRRAAG-MTDXEUNCSA-N	530.463	5.610	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408978261	HLKXAWKJNAZJHH-ICSRMJQJSA-N	506.389	6.265	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5Cl)cc4s3)c([N+](=O)[O-])c2)c1	408992416	RRTKEWZEPMEVFZ-XSFVSMFZSA-N	626.119	8.116	50	40	KKGB	
COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(OC)c2)c(=O)c1C#N	409005785	VXQHXAGRAAEKET-VWRJOHBLSA-N	730.660	5.582	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	409006151	MUXRIFLJXNMUOV-ATZGPIRCSA-N	616.954	6.567	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	409009561	AXSPYCFVULQENY-XBQJKBNESA-N	585.505	8.128	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCc1cccc(F)c1	409020699	SFAFCRZXDNZFIG-PNQUVVCRSA-N	716.139	7.443	50	40	KKGB	
CC(=O)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)cc1	409030576	GICLFLQHWXAPOT-MZFJOGFUSA-N	502.574	5.999	50	40	KKGB	
CCOC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)cc1	409049893	RFQBZCKAYHUPJK-KEIPNQJHSA-N	529.596	6.421	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1	409063981	AZWFQULBKDUMAS-NBVRZTHBSA-N	527.396	5.161	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	409150362	BHDONRNPRMAUHG-WCMJOSRZSA-N	587.460	5.287	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409158212	WXUFSEGCLALFQM-ZHSUKTGHSA-N	697.357	5.514	50	40	KKGB	
CCOC(=O)c1cccc(-c2ccc(/C=N\NC(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3Cl)o2)c1	409159389	ZWUCONYJYOAUSB-DQSWQQFISA-N	544.435	5.725	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl)c1ccc(NC(=O)c2ccco2)cc1	409218579	GHXGQCZFRRCAJF-MBTHVWNTSA-N	532.896	5.077	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409249281	HBPHNPXNNQZWKO-XLLDZARQSA-N	512.393	5.084	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)cc1	409258910	WLBMAHFWEKIULF-QMRORBIVSA-N	630.557	7.950	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409259955	IIDBRMFBASGFHL-GRSHGNNSSA-N	524.404	6.182	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccccc1Cl	409260692	USZULUQWDOYBCO-XLLDZARQSA-N	556.844	5.193	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409271004	JEPRQCPZZKHEJL-AEUUOICLSA-N	626.138	7.306	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OCC	409316168	XWAWVGHPESTUKV-AQLQTECXSA-N	659.202	8.049	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1OC	409318133	UWBFKYUCFREAIQ-MWLSYYOVSA-N	554.441	5.336	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1OC	409326966	PCVBUDQEMWQNLK-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1C#N)c1ccccc1F	409372086	RQFFCMSHUYYEIG-NVMNQCDNSA-N	606.176	6.550	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc2ccccc2c1	409374378	OAGBUUAIAUXELK-OYKKKHCWSA-N	538.445	7.829	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc(Cl)cc1	409395147	KJODWLBTHOEHDC-UHFFFAOYSA-N	701.802	9.150	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)cc1	409395478	OAYWVQQSGYBREV-UHFFFAOYSA-N	690.392	7.418	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396546	WFNHLSQFXMVHBL-UHFFFAOYSA-N	628.081	6.896	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397295	IKBLVLMOHLGZKJ-UHFFFAOYSA-N	585.975	6.348	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397846	OPFYHQLEHWAJNP-UHFFFAOYSA-N	617.445	7.432	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409398165	RJPOMZBRQZEAIZ-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409398452	TVNBVBKLMWNJNL-UHFFFAOYSA-N	636.875	7.516	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OC	409406393	WOIAHICJELWOKH-MNBJERMJSA-N	513.594	5.776	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1	1529545674	AJNQVHKCXWWYHF-XINRNAFCSA-N	671.559	5.156	50	40	KKGB	
CN([C@@H](c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2)c1cccc2ccccc12)[S@](=O)C(C)(C)C	1857795005	GGIJOJJRUYYYEK-CZNWIGJESA-N	579.702	6.810	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1	1252061	NPBQRKLFHIKGCT-HHHXNRCGSA-N	545.064	6.055	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc(Cl)c1OCc1ccccc1Cl	1740119	YEMZYTZNGYHCBU-IPPBACCNSA-N	570.458	5.378	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1	1888952	QWDLRHHCGAMRSQ-OGCOBRASSA-N	540.447	5.918	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2ccc(O)cc2)n1-c1ccccc1	2096803	ZXCPEXBHHCQGNI-RSXURMKNSA-N	521.046	5.178	50	40	KKGB	
COc1ccc(OCc2cccc(Br)c2)c(/C=N/NC(=O)COc2ccc(Cl)cc2)c1	2166459	AATIRQMPJWESHR-LGJNPRDNSA-N	503.780	5.219	50	40	KKGB	
N#CC1=C(SCSC2=C(C#N)C3(CCCCC3)[C@@H](C#N)C(O)=N2)N=C(O)[C@H](C#N)C12CCCCC2	2310937	YXEMIKSHNJYRHE-IRXDYDNUSA-N	506.657	6.001	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)n2-c2ccc(Cl)cc2)cc1	2335814	AKLCJYYNARRQOT-AMVVHIIESA-N	545.974	5.858	50	40	KKGB	
O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2ccccc2)cc1	3110050	BVPDDJIBHHTVTP-VJTPSNAYSA-N	522.608	6.548	50	40	KKGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3c(C)nn(-c4ccc(Cl)cc4)c3Cl)cc2)c1	3224439	GHTKTWYYRLUNCG-KPGMTVGESA-N	535.475	7.262	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667565	RXSXDRNMKUFPLH-QHCPKHFHSA-N	546.649	5.653	50	40	KKGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1	8386676	LBTZLOZSRBEKKH-AWSUPERCSA-N	549.737	6.505	50	40	KKGB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1Cl	9464926	ZHETZSHMTJIUIB-XLNRJJMWSA-N	508.025	7.322	50	40	KKGB	
Cc1c(Cl)cccc1N1C2=C(C(=O)CC(C)(C)C2)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C1n1cccc1	12372452	UCHYRUKODBENMU-PMERELPUSA-N	509.009	6.196	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1c(Cl)cccc1Cl	12463409	KTSHMQVJUYEVTP-UYOCIXKTSA-N	503.889	6.033	50	40	KKGB	
CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)c2)c(C(C)(C)CC)c1	33354619	QIUPYVVOLFKQLS-UHFFFAOYSA-N	605.006	8.796	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(Br)cc1	34864762	ZRYJSNIMEHYEMU-PDGQHHTCSA-N	505.441	6.214	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC(=O)Nc1c(Cl)cccc1Cl	97980641	BKDDREBXRFWBMJ-DHDCSXOGSA-N	598.792	7.237	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc4ccccc4c3)NC(C)=C2C(=O)Nc2ccccc2)cc1	98000139	KJXGUZRVCBZIRE-JGCGQSQUSA-N	574.706	6.945	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(O)c(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N2)c1	98048763	NACVULPENSAQSI-MUUNZHRXSA-N	556.644	5.116	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100062812	BWPUQHFNJSCPOC-NVJOKUIPSA-N	601.122	6.799	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2Br)cc1)S(=O)(=O)c1ccccc1	100103012	YACJYVFFSJXPNL-FDAWAROLSA-N	596.934	6.570	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240642	REJWLHNJJPUQOE-KEIPNQJHSA-N	622.143	6.062	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1	100990646	NXWIXJIESNDKCI-AZJLSSPBSA-N	542.842	5.438	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1	100991384	VXGIMLPQTSFVBX-AEPTXUNZSA-N	530.383	6.337	50	40	KKGB	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	102454473	WZBLEGNQVBQJFL-GAGBFILQSA-N	581.094	7.024	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1	102666612	SREWUJWEBUFOSB-CHTIKVTKSA-N	562.489	5.243	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	102810232	MKNOPVHTHDQDOI-HHHXNRCGSA-N	547.055	5.863	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)cc1	103888077	KWSBSORTFNCQQV-IWIPYMOSSA-N	530.455	7.834	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	103896135	DLHPTRQPHHMBDY-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	104061609	ANDNKNMCCDAOIF-WKIKZPBSSA-N	502.195	6.862	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1	104402947	NIAGQLRUBQRMFK-OCSSWDANSA-N	533.422	6.353	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	104402965	UCQFEZLVCXHHPP-MZJWZYIUSA-N	609.258	5.804	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342130	SCAJTUWHAQLCFN-REOHCLBHSA-N	942.051	11.564	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)ccc1OC(=O)c1ccc(Br)cc1	150350142	ORJGNILSGKTSDD-IPBVOBEMSA-N	720.006	6.494	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	162478241	KRJPEHMLKGMBRF-IRWBXMRWSA-N	760.321	8.304	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	162480023	SQNIKTYEUAATFS-VVEOGCPPSA-N	643.387	5.877	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(C#N)c3)c(OCC)c2)cc1	216066799	QBTOECFUTUTAAV-OCSSWDANSA-N	536.426	5.851	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539879	ZRZGFYXPMCXZIV-WGOQTCKBSA-N	569.057	7.451	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408554725	UIBWNHVKGGWAPZ-UDWIEESQSA-N	575.090	6.422	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1	408583720	XBLYMSBKCHFOLT-VXLYETTFSA-N	515.322	6.091	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1Cl	408588506	WQPLHYZVRRJDLQ-IUXPMGMMSA-N	570.641	7.903	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408677591	SGQHPLGBTAZAJD-WKULSOCRSA-N	547.280	6.699	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12	408710874	SGIOCEFKVDCPQW-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc2c(c1)OCO2	408744888	NWKCDWNPNQHSFN-OCKHKDLRSA-N	521.367	5.620	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408745342	LXHCYTASZZWTIW-WQRHYEAKSA-N	511.347	5.730	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408746576	FJFXRHUEKXLXIC-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408748230	ANBVSKDWZLRYAN-MUFRIFMGSA-N	566.395	5.805	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408764887	NPAPTKLXOKNDCU-IPPBACCNSA-N	541.593	5.308	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1	408772518	MKRJRJVYUNHOKE-LGJNPRDNSA-N	526.829	5.001	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1c(Cl)cccc1Cl	408775699	JAAYWLWSWRHJJU-YVLHZVERSA-N	546.248	7.198	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1cccc(Br)c1	408776771	YUYQIOZNVGBOCJ-GRSHGNNSSA-N	560.185	6.395	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408787932	HPICERZJNRZCDV-SRZZPIQSSA-N	701.258	7.082	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1Cl	408794347	SACQCNCOLNSCJQ-WOJGMQOQSA-N	590.699	7.388	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408818045	MSGOIQVNJTZFNO-QRVIBDJDSA-N	562.420	5.897	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1	408824099	PLPMPNQHPIIRKE-YDZHTSKRSA-N	638.345	8.468	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408824701	HHXHQBDWLBEHHH-VFCFBJKWSA-N	589.489	8.306	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccc(C)cc1	408825008	CFWAMOSNNLPFAG-QCFMCPCVSA-N	619.143	6.035	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408827554	KMSNGITYGPRRNN-VWJSQJICSA-N	665.393	6.413	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OCc2ccccc2)c1	408834833	VVBBWJDNRNSAKN-KOEQRZSOSA-N	569.455	7.161	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408834943	VNYTVMGUMQXDGV-YDZHTSKRSA-N	778.268	9.463	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4ccccc4c3Cl)cc2)c1	408838746	HTIKYQBMFNYJRH-DPNNOFEESA-N	568.054	7.099	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2-c2ccccc2)cc1	408840727	FFSCUQNOANJSDE-SNDAAJCPSA-N	693.751	8.900	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)c1	408842239	JKEJAZTVJYPGRF-MHDJOFBISA-N	625.306	7.300	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC	408842485	OCRFSBKWPYOFCV-VFLNYLIXSA-N	538.979	6.215	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1	408847551	NMYNVKQBCOKRDG-WKIKZPBSSA-N	513.775	6.200	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408859886	UUDKYPJSXCKFGI-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Br)cc1	408865703	DOEFLCGLFRLCGD-ISIUFKJFSA-N	550.291	6.076	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408874077	YCZMIRNFYIKZCY-QNKGDIEWSA-N	587.698	5.327	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408878365	AXWZWRFLZRZXSB-WOJGMQOQSA-N	566.364	5.579	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OC	408881939	NBDXRDKFQIZLEH-LFYBBSHMSA-N	574.158	5.625	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408888316	YYNPQQUDYBGVLZ-XNTDXEJSSA-N	552.233	6.069	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408891353	PBRSGAWUOPNQOA-STBIYBPSSA-N	523.010	5.732	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2Br)c1	408924931	PPJGABRHEKOWAX-CAOOACKPSA-N	595.118	7.952	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408936146	GTHXOXNKLDDOCI-DPNNOFEESA-N	612.535	5.922	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c(OC)c1	408956635	RJFDCEBFJANOOV-DMFIQNIRSA-N	824.410	5.204	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccc(Cl)cc2)c(OC)c1	408958569	ZAOLIFJQPDDSNO-VVYBVRPNSA-N	720.404	6.064	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC	408970516	ARMZRNMCMVZNEC-WVMIMECUSA-N	623.331	5.418	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1Cl	408989265	TUWNQJQSJWATBH-IUXPMGMMSA-N	639.569	8.061	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1ccc(C(=O)O)cc1	409011058	FRLJPAGQTLZIGG-VPUKRXIYSA-N	775.131	6.454	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	409019300	WIGBHNZHCQXKSI-JQJUXGDMSA-N	600.499	5.995	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCC(=O)Nc1ccccc1	409020019	LNAYHIQCAXVCAQ-XKJRVUDJSA-N	727.147	6.352	50	40	KKGB	
O=C(N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	409036074	KHTHFGASMRQZJZ-UXHLAJHPSA-N	533.500	6.274	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(C)C)cc1	409045660	GVBWXHMKSDXFAU-LZYBPNLTSA-N	536.220	5.579	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc(Cl)cc1	409048498	WYXXJCCJBUTGGH-DPNNOFEESA-N	569.086	7.559	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(F)(F)F	409056829	OGUAWXJDAOKYPN-PNQUVVCRSA-N	562.372	5.493	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409060225	YNMINUCZVKPISP-FRKPEAEDSA-N	583.063	8.070	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OS(=O)(=O)c1ccccc1	409068339	SDTSTRHEMVSKGT-OQKWZONESA-N	518.591	5.136	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OS(=O)(=O)c1ccccc1	409072158	MBMJNYZLYVLUCF-PTGBLXJZSA-N	532.618	5.526	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409082587	MOAIYDLWGOPRRB-CPNJWEJPSA-N	548.939	6.622	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1	409088641	FZILOXIDQUJJJV-OVCLIPMQSA-N	557.302	5.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409091447	QQLGLNZDTZIGSU-SFQUDFHCSA-N	504.455	5.248	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	409162542	FSJBCPOXZWWRQH-WCMJOSRZSA-N	678.911	5.238	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C	409165873	BFGFUWXFMWNUIC-XAZZYMPDSA-N	595.494	5.106	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1Cl	409175013	XVMZTAZFEVUHGJ-IURWMYGYSA-N	683.330	5.720	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1OC	409184754	MURCGXLOQHKUJI-OCSSWDANSA-N	600.535	5.369	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4cccc5ccccc45)cc3Br)cc2c1	409188514	CLKIGIGNOFJSEA-KYHGBAKBSA-N	573.443	7.099	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409199892	FGASIECESGXQLZ-LUOAPIJWSA-N	603.163	7.340	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc(OC)c1OC	409219882	RFQIUJIYJIEPIO-AUDJLBKZSA-N	659.051	5.909	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1	409220359	XVKKRLQVMPYRLV-UAZXLQQPSA-N	722.346	6.763	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409225716	OFNSHNBQWLGWMU-UHFFFAOYSA-N	571.973	5.313	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)c1	409251550	PNFLCZKVDRRIMK-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(OCC)c2)ccc1OCc1ccccc1	409252017	RGIJCLIILANOPV-WBIBEUCMSA-N	636.532	7.151	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SCCS1	409265614	UEBNSDSMCPCKTG-BHGWPJFGSA-N	578.779	6.480	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)ccc4OCC(=O)Nc4cccc(C)c4)cc3)cs2)cc1	409265645	NDNIPIMZBLFJOR-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2)c(C)c1	409266967	ZIYQPGOPKRNDQY-MWBNBJEGSA-N	610.139	7.605	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1C	409272427	YQZXCBWSOUPMNH-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1OC	409311389	FVFAHXYVPQUOOD-MBTHVWNTSA-N	529.818	6.019	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1OC	409317511	URJWWWATIUKKGO-WGARJPEWSA-N	528.359	5.108	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1OC	409320969	GBKUTTGAKARQJY-FDVSRXAVSA-N	543.389	5.513	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	409323191	ZDTXUSLCDUOWFO-WGARJPEWSA-N	526.889	5.286	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OCc1ccccc1Cl	409359207	ACQHLKCTUUJADM-WYMPLXKRSA-N	529.909	5.727	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccccc2OCc2ccccc2)c(C)c1	409368036	QKUFLFUERRAFNA-VQNDASPWSA-N	569.727	5.575	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OC(C)C)c(OC)c1	409372687	GOXWESMMRSGOME-DHRITJCHSA-N	518.351	5.013	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1	409376368	AGWIZLUETMRUHD-BOPFTXTBSA-N	509.921	5.059	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2OC)cc1	409380387	MEFJCCFLUVGKFF-UNOMPAQXSA-N	550.409	5.338	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387036	SPIJDDCUQNADDT-LUOAPIJWSA-N	715.161	7.282	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409388367	UNHFSGSEJCPBLA-HQDYHJHZSA-N	656.562	7.106	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(C)=O	409395098	JWVAPLICQQGJBN-UHFFFAOYSA-N	669.532	6.580	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc2c(c1)OCO2	409395741	REKQPBZEVMNUAF-UHFFFAOYSA-N	711.366	8.225	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)cc(OC)c1OC	409396672	ZZZLAHIETMIKLW-UHFFFAOYSA-N	810.710	9.329	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)cc1OCC	409396758	AUPODVLQAYFNKE-UHFFFAOYSA-N	660.952	8.031	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409399336	ZQNKXSVTFSNGSG-UHFFFAOYSA-N	643.481	7.130	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc(F)c1	409400577	DPWWQUWTTSQBBI-UHFFFAOYSA-N	602.062	7.410	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1ccc(Br)cc1	409402325	JUBOUWUAWRGKTQ-PQKVGRGHSA-N	682.615	8.499	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)OC	409405666	UKYNJHUOSINNMS-ZMGVVAQMSA-N	580.037	5.634	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2-c2ccccc2)cc1	409408162	IZDSFJJQVZIEJP-FWBIGOINSA-N	702.811	9.331	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccccc4C(=O)O)o3)o2)cc1	409410515	XTKDJCXUYBTBLD-LJUMEUDFSA-N	523.545	5.988	50	40	KKGB	
OCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	642882884	JHWDYGAIIBKBAB-YFKPBYRVSA-N	582.085	6.327	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1	1529545783	BHPBJJQHGNATFC-XINRNAFCSA-N	781.442	5.657	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c([N+](=O)[O-])c1	1529548358	DOCLOJAJDLEQJD-PECINJLTSA-N	732.613	5.975	50	40	KKGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-]	1452509	YBINXCAXBCRBGW-NGIIGVMLSA-N	507.550	5.631	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	2265261	PLIKKJJWYMHJTQ-DNKLCNGGSA-N	536.679	7.084	50	40	KKGB	
COc1cc(Br)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(Br)c1	3083600	IYIRQHYQNDXSCC-YCPBAFNGSA-N	577.056	6.316	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(Br)cc3)C3=C2CCCC3=O)sc2c1CCCC2	3666734	TTWBNZKZCUXNPR-JOCHJYFZSA-N	552.494	5.871	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@H](c3ccc(F)cc3)Nc3ccc4ccccc4c3[C@@H]2[C@H]1Cl	6475317	NCEGBIOURCENGN-ILGFSIAUSA-N	505.014	7.926	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Oc2ccccc2)cc1	20059718	OSYRRAHPTJMSIF-AJBULDERSA-N	523.614	5.702	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	58915010	MTYJTJIAXDQKFJ-AJBULDERSA-N	528.678	5.563	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccccc4F)c3C)sc3c2CCCC3)cc1	59249266	YDIMBNXOZDEHSJ-VTNSRFBWSA-N	528.653	6.498	50	40	KKGB	
CCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OCCCCCCCCCCCC	59608561	WHTINCKDBVZLGJ-UHFFFAOYSA-N	611.864	11.413	50	40	KKGB	
O=C(Nc1ccn([C@H]2C[C@@H](I)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1	82186426	OLTSJGCPXISYSI-PYPSMOBWSA-N	683.546	6.595	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)cc1	97964238	RIWIDXKYNMHBLQ-NHPGMINBSA-N	611.500	6.557	50	40	KKGB	
COc1ccc2c(Cl)c(C(=O)N/N=C(\C)c3ccc(NC(=O)c4ccc(Cl)s4)cc3)sc2c1	97965770	CSWAKUWSAWGJKE-KKMKTNMSSA-N	518.447	6.685	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1cccc(OCc2ccccc2)c1	98048424	WONIIQQJGROWJJ-XMMPIXPASA-N	532.463	6.248	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(Br)cc1	100066329	PIGFRMCOHZXJAQ-NTFVMDSBSA-N	527.875	6.133	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1cccc(Cl)c1Cl	100120317	APEYISBMNLPINI-QXUDOOCXSA-N	560.529	6.487	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1cccc(Cl)c1Cl	100130714	POZCPAABFDRFES-KBKYJPHKSA-N	525.299	6.547	50	40	KKGB	
N#CC1=C(N)N(c2sc3c(c2C#N)C2CCN3CC2)C2=C(C(=O)CCC2)[C@H]1c1cc(Br)cs1	100220464	IAFHKBKXHOXXRR-HXUWFJFHSA-N	538.496	5.446	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1	100835250	ABFFFRVBNOEEKX-MZOFLMDJSA-N	532.021	5.582	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1	100853811	DAYDKIXZDHIBHN-WKIKZPBSSA-N	516.841	6.137	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1	100990604	NBLAPFZYMGEWCK-NLTRVXJZSA-N	532.463	5.234	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	101078079	VHFMVNKYPMPDHF-DNKLCNGGSA-N	526.127	7.829	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2Br)cc1	101664336	SDXOZRFUDWSGSU-DHRITJCHSA-N	533.268	5.067	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccc(Cl)cc3)=C(C#N)[C@H]2c2ccco2)cc1	101695243	RGASMEZPEISBIW-SANMLTNESA-N	562.047	6.060	50	40	KKGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c(Br)c1	101731750	YUTRFDSBXXFNSK-ROTLSHHCSA-N	543.330	5.204	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1Cl	101905932	VHLOGBGIBLLCLV-YVLHZVERSA-N	576.672	6.998	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(C)c1	103588813	YPBJBLZBGRMLHB-UQQQWYQISA-N	560.492	5.991	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1	103889848	YRSGEQOXRFDECX-SXGWCWSVSA-N	566.666	7.543	50	40	KKGB	
CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341318	HIRWAQFMDABHLG-QMMMGPOBSA-N	658.174	9.160	50	40	KKGB	
CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	150415295	OCYKIXWOKGZMTB-KMDFBNFPSA-N	674.131	7.938	50	40	KKGB	
FC(F)(F)C[C@H](I)CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	169795482	UOLGLNAEYPHRPE-WOJBJXKFSA-N	670.342	10.740	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1	408542020	JCQBUTKWFKOYLI-SOFYXZRVSA-N	536.198	7.123	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543994	RHALBKIUEZCEMP-DPNNOFEESA-N	539.554	5.683	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(Br)cc1	408544462	WEXFTVQOMLIDFJ-GRSHGNNSSA-N	555.812	6.324	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	408570213	SUAFBUUUDFYDAV-VFLNYLIXSA-N	734.394	6.622	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408581990	KPMHODISHGZEJE-YBFXNURJSA-N	576.228	6.714	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccc(OCc3c(F)cccc3Cl)cc2)c1C#N	408602978	PKUPYFIILIFJDK-OHUIHDMLSA-N	575.822	5.071	50	40	KKGB	
CCc1ccc(NC(=O)COc2ccc(Cl)cc2NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1	408609230	QMHVUERSHQKYIC-NRFANRHFSA-N	535.044	5.033	50	40	KKGB	
O=C(NNc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408610459	UIPIJJDFMVOZGL-INIZCTEOSA-N	504.801	5.722	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1	408655270	RLUPJVJTXUEHNT-CJFMBICVSA-N	509.961	5.703	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408728238	XSJDGNSRGBWWNS-XICOUIIWSA-N	668.237	6.784	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)ccc1I	408745935	BAYIQCJYIYJUAI-AMVVHIIESA-N	741.161	7.163	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408765607	MMCZFZHHRCRMCP-PXNMLYILSA-N	581.091	7.643	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1ccccc1	408778142	BRAOEMFACMEFBV-MSXFZWOLSA-N	505.210	5.148	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408786025	FGMULOWJJQVDTG-CHHVJCJISA-N	606.629	5.560	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc2ccccc2c1	408788525	KSAXZSKKPBUKGL-BUVRLJJBSA-N	527.418	7.126	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408789427	QFBUELVKALDHTL-LZYBPNLTSA-N	575.188	6.384	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccccc1Cl	408789989	TVDGFJRLZPWCID-CIAFOILYSA-N	690.706	7.827	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408791738	BTHOZBAPTUDTEE-LZYBPNLTSA-N	591.643	6.898	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1	408792948	MPTSKDZYYZIOJW-YBFXNURJSA-N	590.301	7.678	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Br)cc1	408793247	OAYIJUXHJFWMOB-DJKKODMXSA-N	574.700	7.607	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408796886	PQRNPIMZFALQCU-WUXMJOGZSA-N	625.031	6.313	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408836933	XBICZOXZABAWLD-JWGURIENSA-N	580.493	6.832	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)ccc4OC(=O)c4ccccc4)cc3)sc2c1	408838668	GZBDAHYXHCOTDB-KVAAJVFYSA-N	646.950	7.861	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1cccc2ccccc12	408840695	FATPMISBKDLONG-XJECJHNESA-N	590.627	7.339	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(Br)cc1	408845393	WKBPENTWWKESPV-IIHBXENTSA-N	745.359	7.553	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC	408846639	XYMIDIKARJECSJ-PNQUVVCRSA-N	585.004	5.592	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1	408847803	RYSWDPAPORADPZ-FXMZOFOKSA-N	688.541	7.559	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Br)cc1	408850254	JPBGXAKSAVWSRO-NVJOKUIPSA-N	637.122	7.072	50	40	KKGB	
N#C/C(=C\c1c(Cc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408869444	PLEACZZSNMBPSG-LTGZKZEYSA-N	546.262	7.501	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1	408869766	RHNFNBHABOYGPN-HPNXWYHWSA-N	622.703	5.134	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccccc1	408880299	JCIXUWFOHVNPIV-AFUMVMLFSA-N	537.819	5.033	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl	408892151	BLGCDOVIBGPHDA-KVSWJAHQSA-N	512.220	7.042	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OS(=O)(=O)c1ccccc1	408899865	REOHVYGSVYBWIA-LFIBNONCSA-N	503.363	5.315	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)c(OC)c1	408947079	AEBDDAMYLRLDSC-KXILHYHMSA-N	734.637	6.709	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)c(OC)c1	408956308	QNXGFYUPEZWZIB-FIZXBFEXSA-N	750.430	6.072	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408973154	ZGVACSBPTZMIHP-DPQNAYNPSA-N	584.500	5.602	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408984126	PTFKNNHJFXCJTL-GRSHGNNSSA-N	570.827	6.843	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408999575	LSQOXXMDPKMIGH-XAZZYMPDSA-N	652.170	7.661	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCC(=O)OC	409009952	IVUOMGWZDSLSHJ-YCPBAFNGSA-N	635.636	5.168	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCc1ccc(Cl)c(Cl)c1	409023958	OISWQJUSMAHMAV-BVMLUPFRSA-N	524.404	6.048	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1	409049568	WPKDAEIJRMMQOD-VCHYOVAHSA-N	588.227	6.262	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409049982	RUTSUXCOFGCBFR-OHUYPAJKSA-N	567.001	6.815	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	409072880	LLTIAXSYPJMOJP-XNTDXEJSSA-N	596.684	6.178	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409076570	BMSJKVDXBHUURQ-VGOFMYFVSA-N	677.295	7.584	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(F)cc2)cc1OC	409114317	GUANMEGAIKKNIQ-VTNSRFBWSA-N	643.535	5.359	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1	409115054	GTCKOKFVKYRUBD-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1cc([N+](=O)[O-])ccc1O	409140662	LCKMDPMWGAZWNS-VPGWSJPTSA-N	637.446	5.030	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	409161530	VDUJDMDMAFLNAF-XAZZYMPDSA-N	571.461	5.424	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	409164053	BTUCUJRNWOWENG-XAZZYMPDSA-N	652.329	5.660	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1ccccc1C(F)(F)F	409165436	YFKUMAOWJLLUGY-ZHSUKTGHSA-N	635.437	5.590	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	409169654	QSRMHTPQJGWFRM-AMVVHIIESA-N	553.273	7.138	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2ccccc2Cl)cc1	409185450	LOGVVXHUDGEKBS-LBTISBENSA-N	619.143	5.250	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409186419	BVAFBOYZEFRJRL-ZRGSRPPYSA-N	591.350	6.643	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4)c(I)c3)cc2c1	409187095	LYAFOQLVEASSOT-MUXKCCDJSA-N	666.253	6.384	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(I)cc4)c(OC)c3)cc2c1	409187856	VDKDUBRTKRTFTM-MBTHVWNTSA-N	570.383	5.788	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409218283	FBKOZRHLPXMQSI-GZTJUZNOSA-N	619.818	6.046	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409220709	DTBOWLQEIZEKFF-RHANQZHGSA-N	502.571	5.985	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1	409223776	HNWYFYACGGMDGI-UHFFFAOYSA-N	556.416	5.993	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409224163	LBJPHPJOQJPRDH-UHFFFAOYSA-N	575.499	5.670	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)NCCCc1ccccc1	409228136	UOAMRSWWFCGYIW-HMAPJEAMSA-N	509.831	6.337	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1cccc(C)c1	409256330	NSQBCGXDBZTWBQ-OJYCWLPVSA-N	605.720	7.042	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409258396	XKJVIRSEGGLQEN-KWWOKKGBSA-N	620.544	6.057	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409258666	YOTSALFVCJWQIT-MUXKCCDJSA-N	589.284	5.700	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1	409260367	PJGAMEDVEYRPAZ-MOSHPQCFSA-N	534.410	5.638	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409267095	SIZWCFVBVPFQHX-WSDLNYQXSA-N	595.437	5.158	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1	409267472	VULZOTPKUKCYPY-BKUYFWCQSA-N	562.420	5.416	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	409269030	DCOBASLFTBJXHD-ODQASSKESA-N	665.002	8.604	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1OCC	409312415	LPUMNYXNMRXZKG-LQNQUEJISA-N	511.018	6.187	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1OC	409313754	QVMUWFVYKAGLAX-FDVSRXAVSA-N	572.843	5.457	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OC	409314472	RKNQDWOTGIYEDK-MNDYBZJGSA-N	588.886	5.990	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1OC	409315585	JWXBDVJZSPOXHN-FDVSRXAVSA-N	592.405	5.579	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1OC	409324091	SCEDJCZXUMQXDL-QDTIIGTASA-N	605.283	5.319	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1F	409371415	IUORQWTXGANJGN-GRSHGNNSSA-N	544.320	6.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OCc1ccc(Br)cc1	409392074	NTGUCKNWGMHQEE-KBVAKVRCSA-N	532.438	6.142	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409395071	JLJXKDINHBBUEQ-UHFFFAOYSA-N	805.661	8.676	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)[nH]c12	409395508	OLXCOGOVVBPRBC-UHFFFAOYSA-N	655.730	7.898	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396374	OESVORNMTDCLOK-UHFFFAOYSA-N	599.609	7.852	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cc(C)cc4c3-c3ccccc3Cl)cc2OC)cc1	409397475	KGCDLSMKBDRLIY-UHFFFAOYSA-N	582.056	7.105	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Br)cc4c3-c3ccccc3)cc2OC)cc1	409398701	VGWVIPWXTXEMLM-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409399141	XYFKUJVXWIVAHB-UHFFFAOYSA-N	610.508	7.542	50	40	KKGB	
CCOC(=O)COc1cc(N(C)C)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409399939	AJGRXICKJHZBMY-CAQPMQTCSA-N	558.635	5.038	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1O	409402232	JGWMAAXVMLMYIX-MNBJERMJSA-N	513.594	5.863	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCC(=O)Nc3cccc(F)c3)o2)cc1	409406606	XGGXOMFUCMIDRT-VHFSBPNMSA-N	659.512	6.949	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)o2)cc1	409407719	GXIRPFLHEBGGHE-GQSLCWQVSA-N	639.064	7.210	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)o2)cc1	409408778	LOYGNDOYWQJIQX-MWBNBJEGSA-N	691.376	7.774	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccccc1Cl	1529548939	QOBMDUYAJKFILH-RSIBHDLFSA-N	663.196	5.541	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(OCC)c1	1529549466	ZULXVMSSHJAZRO-BPDSJRNWSA-N	753.672	5.489	50	40	KKGB	
COc1ccc(-c2csc(N(NC(=O)Nc3ccc(Cl)cc3)C(=O)Nc3ccc(Cl)cc3)n2)cc1	1415264	VNKDSDBLOSFLHN-UHFFFAOYSA-N	528.421	6.901	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2338817	LIIHDEASOUUKHY-OCSSWDANSA-N	545.665	5.197	50	40	KKGB	
O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Cl)OCC1c2ccccc2-c2ccccc21	2559987	GKHIGWPLGJZONE-LJAQVGFWSA-N	512.005	6.481	50	40	KKGB	in-vitro
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@@H]2c1ccc(Br)cc1	3663482	GWHZBUUNRGWPHR-NRFANRHFSA-N	550.806	7.062	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc3ccccc3nc2Cl)S(=O)(=O)c2ccc(SC)cc2)cc1	6600878	UYTWUWWJXQOYPQ-STBIYBPSSA-N	569.108	5.354	50	40	KKGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccc(F)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1	8569313	XVPOAJPKVBVDGP-RUZDIDTESA-N	512.541	5.420	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1C	28217205	RAYMYBWOITVIKO-PPOKSSTKSA-N	519.693	5.484	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(OC)c2)c(C#N)c1C	33780424	WPLMYDVXEFTOEO-RGVLZGJSSA-N	518.566	5.550	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)c2-c2ccccc2)cc1	97960723	UCIKVMXUHZLZTH-JBASAIQMSA-N	551.646	7.842	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccccc1	97960776	OVCLOCCFZDQWBU-YVLHZVERSA-N	640.646	6.674	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1COc1cccc(C(F)(F)F)c1	97965805	SCEWJGMSIMXOJK-WOJGMQOQSA-N	544.551	6.465	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	97979241	NMSDHPLJHHOTBS-JZQBQCRLSA-N	535.994	6.396	50	40	KKGB	
O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	97999292	USIJWAKVOFWJET-KCSSXMTESA-N	551.426	6.440	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100128522	XBOGAFGQODFFCY-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343580	NWBBUAMKKCQHMD-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(Cl)c3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852153	NXJQWCPJIXKRHB-ACXHZZMFSA-N	552.531	7.089	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1	100991323	OWDPVISZKIIERO-IVYNLYIOSA-N	528.848	6.712	50	40	KKGB	
S=c1sc2c(s1)S[C@@H]1[C@H](C[C@@H](I)[C@H]1I)S2	101463572	IDORSZWXNJCJBK-KKQCNMDGSA-N	516.279	5.485	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Br)cc1	103889091	AJNARGRJQJTKMG-BOPFTXTBSA-N	532.221	6.889	50	40	KKGB	
NNC(=O)[C@@H](CSC(c1ccccc1)c1ccccc1)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1	150383124	UNCVLMNZIBQLLX-ZFESHMOZSA-N	781.016	8.004	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)N(c3ccccc3)C2=O)cc1	150439095	MKECSWXJUQZSHF-DBJYNHDPSA-N	629.163	6.629	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OCc1ccc(Br)cc1	150441111	QMWOQPKSORDZGW-VFLNYLIXSA-N	687.170	6.356	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	209404448	QHULSMFXRPEGNE-VXLYETTFSA-N	562.099	7.926	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccc(Cl)cc1)N2	229978000	VXGPQPGYHSWFFF-VBZRGDGWSA-N	513.446	7.489	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	408539741	YLIDLYQURFGSNW-XMHGGMMESA-N	519.867	7.396	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408541455	ZOQRTEMVVKGSQP-QQXSKIMKSA-N	569.057	7.451	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3c(C)cc(C)cc3C)c(OCC)c2)c(C(=O)OCC)c1C	408547447	WZERHQXOWKEFGK-MFKUBSTISA-N	603.737	7.032	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408567733	GGWXCPNFQFSKGR-FJEPWZHXSA-N	622.006	7.088	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408677573	RZSCAOZMLAPRJD-NDZAJKAJSA-N	514.582	5.275	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1-c1cccc2ccccc12	408727423	WSXDXWSKIKACPA-SEBMTOOBSA-N	571.080	7.997	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	408742911	CQVGRZRPVWZXMZ-NHFJDJAPSA-N	524.580	7.574	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2I)c1	408744471	LIYIWSHDPOFCEM-BKUYFWCQSA-N	508.359	6.033	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408749087	LEEYRIYDFUDXOA-JFLMPSFJSA-N	584.404	5.051	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408754396	QOBSUZUJLPZQFA-APSNUPSMSA-N	636.094	7.007	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408758790	RGLFGCMVMOYVDD-WJDWOHSUSA-N	545.220	6.319	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OCc1ccccc1	408759692	JTYMDMIUUALEJN-ZDLGFXPLSA-N	593.248	7.121	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)c1	408760527	AFAHYGXALBWKSW-BUVRLJJBSA-N	618.471	7.366	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(I)cc1	408776918	SPWUVZOISFMOIX-PDGQHHTCSA-N	544.776	6.078	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408787992	HZULQBDIEIXLQG-VIZOYTHASA-N	693.081	7.466	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1F	408792376	AXYJEMWRILNAFY-WOJGMQOQSA-N	576.793	6.607	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)c1C	408794952	UFTMZCSVLTZIET-MFKUBSTISA-N	511.419	7.344	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1	408796670	ORXJXGUNAHXDDC-RGVLZGJSSA-N	556.375	6.126	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(I)cc1	408796913	ZOEHEGBPWAPLNJ-XDHOZWIPSA-N	528.777	6.378	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1F	408797533	SKXMWWPUECKFFK-LICLKQGHSA-N	562.766	6.217	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1c(C)ccc2ccccc12	408797820	CXFOAESBGYWIHK-OEAKJJBVSA-N	588.445	7.195	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408797949	UAKXKFXWBSUKCB-LFVJCYFKSA-N	557.419	7.292	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408798042	UJWAKKHOEGXTCC-VCHYOVAHSA-N	560.231	6.667	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798230	VKDYNQCJKXZLRJ-OEAKJJBVSA-N	655.319	8.302	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OC)c(I)c1	408800930	QFGGNAPHTMDEMD-VZUCSPMQSA-N	594.574	5.112	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1	408802167	XJFHAAVWJRXWKE-HAVVHWLPSA-N	511.419	7.289	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408815111	RNSAAKQPIPTHPB-MBTHVWNTSA-N	534.366	6.175	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(C)ccc3C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408824435	QFGJYSBOJJAHCN-KYHGBAKBSA-N	593.105	5.338	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408834613	LLWXZOWOGBPGBE-HZHRSRAPSA-N	652.770	8.569	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408834733	VDBNQRPMNJANCL-FDALDRLYSA-N	770.127	6.428	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1c(C)ccc2ccccc12	408834809	MDLFHSFYFMPTST-TURZUDJPSA-N	589.091	8.514	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC	408840821	BXPSVOZMUIARFS-FABQOPTDSA-N	646.494	6.019	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl	408844845	WVFKRXFGMDQJBT-KNBZMSCYSA-N	595.858	5.989	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408847079	MGHFXNDTACBYSD-GTWSWNCMSA-N	529.482	6.825	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408868561	OXJQABVZNYHCCH-YDZHTSKRSA-N	594.449	6.230	50	40	KKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1Br)C(=O)Nc1ccc(OCc2ccccc2)cc1	408870180	VIKVHNIFUAQYBC-LGUFXXKBSA-N	523.430	7.165	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)cc2)cc1	408882661	NJVIAJGLYYAJIU-ZCTHSVRISA-N	531.609	5.059	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1Cc1ccccc1F	408883587	QINQXXQUWCDQAZ-UDWIEESQSA-N	537.385	5.910	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccccc1Br	408887962	VLEDZFBXNFIXKW-LICLKQGHSA-N	560.217	6.484	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OCc1ccccc1Cl	408892316	ALOHURJAOCTWOU-RQZCQDPDSA-N	627.693	7.775	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1cccc(F)c1	408908028	ALFKMPFRAYFGOT-HNSNBQBZSA-N	532.999	5.843	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1O[C@@H](C)CC	408912629	RJIDPHSNFXDLFH-VFKGCLKRSA-N	572.443	5.253	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924138	LLSFQWGENDPZKT-KKMKTNMSSA-N	615.289	5.255	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408979961	OYINUWAKRZLRPK-RBOCJAQVSA-N	532.424	5.814	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409003846	VMRPYMFKDPEMEC-KVAAJVFYSA-N	655.332	7.390	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1	409020829	ULLZRQIKTONDHG-ALXLYEBLSA-N	702.561	7.232	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	409024246	ICVGYUDDFICCCS-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409029000	WTBQLDNOHQZSEX-VTNSRFBWSA-N	632.522	6.015	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)cc1	409045377	GMRYWMUKOMLCHA-VCHYOVAHSA-N	544.218	6.784	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409072359	VCYYDTBQLGIXGK-XNTDXEJSSA-N	582.259	6.078	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl	409091684	TUDJHXBIZFTTRG-NTEUORMPSA-N	543.717	6.257	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)C2=C1CC(C)(C)CC2=O	409133690	NAXVUEFWPJDNDG-XMMPIXPASA-N	788.262	6.620	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	409215912	CCCSKPJKNHQWKP-RPPGKUMJSA-N	533.831	5.622	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	409217902	FQPQKZSRQSNAIX-LDADJPATSA-N	568.811	5.452	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccccc3Cl)cc2)c1	409220270	VXGOLHFUMNYCGR-LJUMEUDFSA-N	556.962	5.792	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC	409222375	CPGCZMHGZZTRCH-UHFFFAOYSA-N	588.016	5.601	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Br)cc3)cc2)c1	409222902	FBWJUSASZILLOI-LJUMEUDFSA-N	601.413	5.901	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccc(Br)cc1	409225232	METKGTCNUMNXRJ-DICXZTSXSA-N	518.323	5.494	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	409225559	PQTNZSVQRDOUIB-UHFFFAOYSA-N	696.308	6.364	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1	409233244	DWZXTZBDNIIPQB-FPJJECCMSA-N	631.308	6.816	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409248162	CHPBLKMDEJVNBW-GRSHGNNSSA-N	626.407	5.388	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)cc1C	409252885	VDVDMYOOKUXOKP-YLYVUXRMSA-N	679.029	8.912	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409260163	LUSOFFBYEULKTP-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409263670	MAXGMLSNSMFNAN-YBFXNURJSA-N	524.404	6.182	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)c1	409267287	NAGOLFDTRISJSU-GIJQJNRQSA-N	562.375	7.192	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409273471	YHVNMXDGPSBJGE-NUJZUDFISA-N	514.409	5.790	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409324559	UBXZBEKJINWXKQ-LQNQUEJISA-N	540.016	5.318	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccc(F)cc1	409366145	YFQDEOQSZRCXSY-QNVXDBMFSA-N	678.971	7.890	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(OC)c1	409373754	UFNKWXNWJNXXCF-FJEPWZHXSA-N	584.385	5.944	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	409388381	UWFQANKJAKAEEN-SFQUDFHCSA-N	524.346	5.160	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409394491	BCLLFFUEGDUIFA-UHFFFAOYSA-N	676.321	7.560	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)cc1OCC	409395465	NXKZDNDIVAWTTC-UHFFFAOYSA-N	656.533	7.387	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(C)=O	409395799	RWRCZMJZPFJSTB-UHFFFAOYSA-N	774.249	8.584	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409396891	CNXAUIWAHDWCJX-UHFFFAOYSA-N	586.019	7.018	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(ccc5ccccc54)c3-c3ccccc3)cc2OC)cc1OCC	409398524	UGKWVRFRMUSMPF-UHFFFAOYSA-N	627.697	7.777	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4cccc(F)c4)c(Cl)c3)o2)cc1	409401723	ICPLZLDFYWFQLP-ADJDCTSUSA-N	649.506	7.493	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	1529545872	BPEKMHFKVGESLM-AHKFIOAWSA-N	722.061	6.720	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12	1529548378	DZLIFFBQTZKKNX-ODZZBMNLSA-N	766.512	6.829	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1	1529548704	MCWCWQOCRYRYSU-IZQZZFRNSA-N	655.148	5.342	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(N(CC)CC)cc1OCc1ccc(Cl)cc1Cl	1529548844	NGCMKPXTDLPPIH-GCUJPOOZSA-N	698.673	6.304	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccc(Cl)cc1Cl)N2	1764061	JVOXJBSAUYYKES-VCECKLMPSA-N	549.863	7.638	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	1889648	LNACIPBMSZQKSF-BIZUNTBRSA-N	554.075	6.409	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)sc2c1CC[C@@H](C)C2	1895788	PMCXHERXOMABNB-JFLDFIPSSA-N	523.658	6.598	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccc(Br)s1	2595862	RYIMXINQCULGRO-BRJLIKDPSA-N	559.536	5.392	50	40	KKGB	
N#C/C(=C(/C=C(\CC(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	2597582	UNLZWHHCRAWVBD-DFNITTPMSA-N	539.418	8.693	50	40	KKGB	
O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C/c1cc(Br)cc(Br)c1O	6142405	KFGUAKIQWSXBBD-HNSNBQBZSA-N	617.341	7.746	50	40	KKGB	
O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	8440895	FEWYYYBGTVKEFL-WSKNZEFQSA-N	570.967	6.148	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCc2ccccc2Cl)N1	9369654	XHKLVYNIFSGBPH-RUZDIDTESA-N	506.458	7.261	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)OC(C)C)N1	12250140	JWTUACIMHFFGOQ-OAQYLSRUSA-N	506.411	5.606	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	12250847	ANJWLPNJTYSNGO-MHZLTWQESA-N	512.610	5.210	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)c(C)c1	19948541	TXVFCUYQSUFIOG-UZWMFBFFSA-N	521.642	5.955	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc(F)c1	59116625	RNCOEQDREXKORT-UDWIEESQSA-N	501.583	6.161	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc4ccccc4c3)n2-c2ccc(Cl)cc2)cc1	97939472	NFEPPABVSPDQHS-ZCTHSVRISA-N	542.064	6.382	50	40	KKGB	
Cc1cc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1CSc1ccc(Br)cc1	97959998	CUGRJFOXSPRZLL-ZEQKJWHPSA-N	529.507	6.952	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	97964095	IVSAOYOKGQGAQG-QTWZKZTBSA-N	577.710	5.644	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	97965747	PNVJVWYPFOWHMR-FKNUQGHBSA-N	645.362	8.134	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)ccc1OCc1ccc(Cl)c(Cl)c1	97966552	JHFFQUPALGMNQW-VVEOGCPPSA-N	635.371	6.381	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	98000258	IWADHDBYFACFTP-SSEXGKCCSA-N	565.098	7.200	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126134	QEXPLSVDYCABON-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cc(Cl)cc(Cl)c1	100128336	XKBGQXYZSQICHZ-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1c2ccccc2cc2ccccc12	100858478	OVBQHFKJHUXIKO-KBVAKVRCSA-N	550.734	7.532	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1	100989412	JGGFWUDCQZHTAG-CKVBZJJFSA-N	522.399	5.653	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl	101273311	MUYJCEGRGZULIP-GDLZYMKVSA-N	556.087	6.863	50	40	KKGB	
CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4s3)c3cc(Br)ccc32)C1	101385831	DKWPGJMSMAYPOR-BSKCXYNGSA-N	612.619	5.876	50	40	KKGB	
O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl)C1c2ccccc2Oc2ccccc21	102188591	LIUUITMRHMPARO-QQADDBDESA-N	611.092	5.234	50	40	KKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(=O)N1CCN(c2ccccc2)CC1	103883939	BVRVDNBFKIIXGM-ATVHPVEESA-N	541.789	5.526	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)cc1Cl	103890601	CKDMBTBOEJLFFZ-PXNMLYILSA-N	615.138	8.586	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1	104402953	DGKPPEWNVXHOBD-CVKSISIWSA-N	530.362	5.041	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	105437555	WORXAUFVNBEEHV-KEIPNQJHSA-N	609.535	6.290	50	40	KKGB	
COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3cc(Br)c(O)c(Br)c3)cs2)c1	106956616	OTAJKTPSPGTXSK-WLRTZDKTSA-N	522.218	6.122	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1	150385187	LRXLGNDUCKZTJA-FDALDRLYSA-N	690.063	7.978	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	162479870	OOFLJUFKYXFLJR-VVEOGCPPSA-N	643.387	5.877	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	211011498	CNNMWGPNLGFSIB-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC[C@@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)ccc1O	253617064	ACWUUWIBURCOOJ-ZKNPVLPNSA-N	540.745	5.258	50	40	KKGB	
S=c1sc2c(s1)S[C@@H]1[C@H](C[C@@H](I)[C@@H]1I)S2	254527291	IDORSZWXNJCJBK-MGCNEYSASA-N	516.279	5.485	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)ccc1OCc1ccccc1	408538414	MOCYQVQSIAIAER-ZVHZXABRSA-N	696.823	8.967	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(OCc3ccccc3)c(OCC)c2)cc1	408538638	AWZDLFXYZBVRGJ-ICUTVXMZSA-N	615.568	8.112	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccccc1	408539818	ZDQYWRVODYDAAS-YTJQMYRNSA-N	733.688	9.555	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br	408540211	OQLMQQNWGYAFJV-CFRMEGHHSA-N	516.661	6.588	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c(C(=O)OCC)c1C	408546009	CBWCGSXBPMQOCT-HYARGMPZSA-N	518.635	5.845	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408554111	ZIZUSWSMYWUGSJ-AUWJEWJLSA-N	569.659	7.517	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccccc1Cl	408568962	LPGGBQPFUISKFB-FJEPWZHXSA-N	622.006	7.088	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC	408583496	VBFCBDHUIFWLFI-KEBDBYFISA-N	571.367	5.658	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	408602306	BPOIPCCTPWSRNS-RQZCQDPDSA-N	507.377	6.350	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)CC2=O)cc1	408603941	HOYHZHPLIGRTSN-GOSISDBHSA-N	544.435	5.476	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408680392	GEBXQPPXTZOMAM-LBCGREOCSA-N	635.567	5.982	50	40	KKGB	
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1	408681249	HMCCNPJHVRDFQE-PSWKNJSVSA-N	557.750	5.121	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408712079	YOLYOIHBBYZXPZ-KVSWJAHQSA-N	603.671	6.993	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1I	408747724	RZXZKNWPDGHLOS-RPPGKUMJSA-N	595.777	5.213	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408762769	LCZSCFYSOOIPED-IUXPMGMMSA-N	625.144	8.042	50	40	KKGB	
N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(Br)c1	408778089	AOMMQOBULWBGJU-JXAWBTAJSA-N	536.882	7.395	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408785255	XPGRGOHULNPCBD-JLPGSUDCSA-N	551.406	8.519	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(I)cc1	408789898	OKMJDOILMXEIJN-STBIYBPSSA-N	615.415	5.354	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccccc1	408790098	NPCTXKICZARHJN-PCLIKHOPSA-N	616.455	7.003	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br	408791813	CWKCTZOMEODXAA-LZYBPNLTSA-N	536.220	5.316	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCC(=O)OC	408794304	RXFQDWQDCIZASR-AWNIVKPZSA-N	528.186	5.252	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)cc1	408795517	MOCBFCQTQAXYJY-CPNJWEJPSA-N	558.803	6.468	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(F)cc1	408795921	WPKVGCQEOSFNQC-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccccc1Cl	408812085	NQDCLNZOEOUFLX-WQRHYEAKSA-N	529.793	6.765	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408817874	OFVMWMMGKPPCCV-WQRHYEAKSA-N	540.345	6.020	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2ccccc2o1	408818711	QGUFWMJRMOAJGH-PPDIBHTLSA-N	501.739	6.331	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OCc4cccc(C)c4)ccc4ccccc34)cc2)cc1	408832130	PZAYYTNZXPMUTP-MWAVMZGNSA-N	538.647	8.160	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(N(C)C)c(Br)c2)cc1	408856951	LVONRTPFHIUSHG-MIXAMLLLSA-N	501.428	6.045	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408865295	AAYKMMVUYIADCL-ALQBTCKLSA-N	650.595	6.308	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408871787	ZZKFOWAFUKNXFV-LZYBPNLTSA-N	525.741	7.790	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1ccccc1	408877405	VSWYCPIDGVKLRE-FGQSVRNTSA-N	518.395	5.155	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc(Cl)cc1Cl	408885140	XDSSCNIPZAAEFV-NCAUGAEKSA-N	685.514	7.199	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccc(C)cc1	408886276	JLDZVDQGLQTAKR-KEBDBYFISA-N	536.382	6.107	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1cccc2ccccc12	408888526	WQZMCBRZAGKZEQ-DJKKODMXSA-N	627.278	7.951	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408888800	AXIBQPDUYVJSFT-FYJGNVAPSA-N	558.388	6.644	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1)S(=O)(=O)c1ccccc1	408892111	GFBGNNBSXOQXOU-JEPNHJGPSA-N	632.573	6.955	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OS(=O)(=O)c1ccccc1	408894542	JNVVSCXAPDLCMD-LDADJPATSA-N	575.868	6.123	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1	408895462	MXBYMXKQTQDKOV-OCSSWDANSA-N	521.614	6.247	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408897594	YSJYWXRIBSSOMV-LUOAPIJWSA-N	719.795	6.980	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1	408905579	ZMPSBCZOQBDJDM-QXUDOOCXSA-N	605.448	7.992	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1C	408922817	HGORKSYGLHJAHZ-XODNFHPESA-N	583.253	6.648	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc3ccccc3c2)c(OCC)c1	408944721	JLSKXWVQBCZXJA-XIFFEERXSA-N	778.669	6.307	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1C#N	408953263	XGJHQRFWAQOQHR-NDEPHWFRSA-N	835.462	5.231	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccccc1	408963595	COFWFNYLOMARQT-LGJNPRDNSA-N	524.327	5.455	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408973320	YIKKWFQXAYNCCP-BDJMIEHVSA-N	703.450	7.923	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc2ccccc2c1	408984955	URPQFYLOPFADDM-ZVHZXABRSA-N	575.890	8.088	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408999945	LWVMCNPHQJVABY-ZDLGFXPLSA-N	639.171	8.269	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409010276	BPDLVPCZDQYZNB-ODNPBWNPSA-N	602.131	6.363	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	409020259	NFYPQXSEMZVLPI-KJYOCYAMSA-N	692.555	8.156	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)c3nc4ccccc4o3)cc2Br)cc1	409040174	FTWRLXWQGUDJQH-MHWRWJLKSA-N	574.250	6.493	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409040382	HYSCXCZNLLTTAX-XICOUIIWSA-N	554.675	8.050	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409046522	RKRZIIKGWMPHAK-CLHYIUPASA-N	620.934	8.814	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409046612	RVDDDPNNLLOFSD-DLCNMLRHSA-N	605.319	8.314	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409052793	ALYYHCLXAUTZTO-CIAFOILYSA-N	548.437	5.946	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)Cc2ccc(Cl)cc2Cl)cc1	409062702	ZHAPIMBHELLCBZ-FJEPWZHXSA-N	556.471	5.502	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OS(=O)(=O)c1ccccc1	409074922	OJBGCNWSSOSYRY-XSFVSMFZSA-N	542.535	5.756	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409089283	ZSSHTANETUGTRN-CXUHLZMHSA-N	519.273	7.241	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409111837	CPCKWKMBCIVPOI-XZYGTATASA-N	684.167	5.308	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409140698	RTZOCWDPXAUJET-KPGMTVGESA-N	644.537	5.972	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Br)c(C)c3)c(OC)c2)cc1	409168063	LBDNNNIRSQUHGF-IBBHUPRXSA-N	723.362	5.266	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2)cc1	409222552	DVTOHAAVPLITOY-LQNQUEJISA-N	542.935	5.484	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(NC(=O)c4ccc(Br)cc4)c3)cc2OC)cc1	409225313	MSTHNXNAVMKBFT-UHFFFAOYSA-N	602.441	5.702	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)cc1C	409255051	GVRJNOZLSBPHST-VCHYOVAHSA-N	599.279	6.097	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409259582	AZCGWPKESBNQRU-SXGWCWSVSA-N	600.223	5.683	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1Cl	409259666	CEYKKMYJBXKCDD-AEUUOICLSA-N	626.138	7.306	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)ccc1OCc1ccccc1	409309019	ACMVICBNTQXPKC-KMUKQRDJSA-N	577.052	7.198	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OC	409309370	GESVMPIFIPOVFM-MWLSYYOVSA-N	588.442	5.749	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1OCC	409312250	FEKPTAAJXDSNQD-RGXNXFOYSA-N	512.606	6.379	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)ccc1OCc1ccccc1	409313608	CVIORHRASYQCKV-OHUYPAJKSA-N	593.905	7.423	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)ccc1OC	409321272	SKIMWLNLAHBIHS-AQLQTECXSA-N	673.382	6.580	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	409336803	UVAOWVYJOYGJHT-APTWKGOFSA-N	700.551	6.118	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409366282	ZRFSTJVIXAFTBF-UNOMPAQXSA-N	507.949	5.749	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCc1ccc(Cl)cc1	409371280	HJFFFTMVTFYHNZ-ODLFYWEKSA-N	641.674	7.591	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1	409373149	MVBHSYWEUVAHFQ-IBBHUPRXSA-N	687.275	6.272	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(F)cc2)c(OC)c1	409373178	OCFHTQLISBXNBC-IBBHUPRXSA-N	627.410	5.382	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1cccc2ccccc12	409374778	ZBMAHGAXNYAXFK-UCQKPKSFSA-N	585.445	7.671	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396393	PCRZPCHHDXBQQP-UHFFFAOYSA-N	616.501	7.841	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397218	HMOFJCFRKLTPDZ-UHFFFAOYSA-N	571.555	7.236	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1O[C@H](C)C(=O)O	409404163	PBKHKZWBLYJZSR-ZDSCIVGOSA-N	545.592	5.281	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)o2)cc1	409406273	BFQLULSDHWURRC-KULFSUQXSA-N	725.821	8.428	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCc1ccccc1Cl	1529549387	XMPGDEPAHACJLE-QNDPHOHFSA-N	627.550	5.457	50	40	KKGB	
CCCOC(C)(C)OCNC(=O)COC(=O)[C@H](C)c1ccc2cc(OC(=O)CCCCCBr)ccc2c1	2060989984	NBHDXNIOZRCAQP-HXUWFJFHSA-N	580.516	5.600	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccco1	710586	RXKAELLNJCBCMH-SANMLTNESA-N	549.052	5.957	50	40	KKGB	
CC(C)=CCC/C(C)=C/C=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br	2135123	GTYAFIHSBWZLRY-JVITUXBSSA-N	508.254	6.538	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3[C@@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)cc1	4045302	GUTBZWPDHFRXQM-ILGFSIAUSA-N	532.021	7.695	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1OCc1ccc(Br)cc1	6166649	SGWYYXHPJAZXBM-HIWRWHBISA-N	603.498	5.625	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1	8214522	IDWDXHQLOMJDRU-XNMGPUDCSA-N	589.601	7.721	50	40	KKGB	in-man
O=C(CN1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@H]1c1ccccc1)N/N=C/c1ccco1	8434979	PMNQVPHCHGGBJR-NSEXZMKTSA-N	594.469	5.852	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(C)s2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	59222103	RYDGVZBPASIJSF-KTZMUZOWSA-N	531.874	5.637	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4cccc(F)c4)c3C)sc3c2CCCC3)cc1	59678878	OAUVLNWQQZTPEU-VTNSRFBWSA-N	528.653	6.498	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Br)cc3)cc2)cc1	97959163	YRTMJPICJUEVOM-XIOXGIFKSA-N	553.460	6.577	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1	97966248	XAZLYKVTFSYKJA-ITYLOYPMSA-N	554.488	7.544	50	40	KKGB	
CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	98045798	SXEANQOPCPJIQK-PKOLSWDWSA-N	551.191	5.286	50	40	KKGB	
N#CC1=C(SCc2ccccc2)N[C@@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl	100090663	JDQCXFCAPNRVGF-HFMPRLQTSA-N	535.012	6.507	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)cc1	100129114	DBVBORIPLOOXDH-MNBJERMJSA-N	593.547	5.506	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	102809584	NHAUMFCTAHKGPL-WJOKGBTCSA-N	561.663	6.817	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cc4ccccc4o3)c2-c2ccccc2)cc1	103796705	QQDQXFJTDYYUOX-GOJREDGKSA-N	553.618	7.498	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc2ccccc2c1	103890983	HSVJSYILUIDHOI-ONUIUJJFSA-N	557.477	8.398	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1ccccc1)/N=N/c1ccc(C(=O)O)cc1	104315779	CXRMBSIXGHDRIL-FKMMPOEYSA-N	507.554	5.202	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc(I)cc1	104402279	WTCVTJQHTFQQRF-MZJWZYIUSA-N	572.244	6.129	50	40	KKGB	
O=C(COc1ccc2ccccc2c1Br)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12	104803459	JFMHAFGTDQFCLC-ATZGPIRCSA-N	618.325	7.626	50	40	KKGB	
CC(C)(C)c1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(C(C)(C)C)cc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2c1	195530683	HNQAUQJBSJHIGC-UHFFFAOYSA-N	791.012	12.423	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(Cl)cc1	209604906	JUCBOQKRZGVXOY-ROTLSHHCSA-N	522.624	6.208	50	40	KKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408536714	ANIAVKRUHARZLM-QXUDOOCXSA-N	595.596	9.364	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408541935	GPTRLHWHLWCBFP-LSCVHKIXSA-N	552.337	5.189	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(C(=O)O)cc1	408549907	BIMYMBGSPZCQLO-UDWIEESQSA-N	513.575	5.330	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408549931	BTDHHPBTFPFEPT-GIJQJNRQSA-N	549.008	6.193	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408568807	LETQDRPROROWIN-XODNFHPESA-N	622.950	6.597	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408598516	CAHXUXZSOJNWLW-GRSHGNNSSA-N	513.775	7.053	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccccc1[N+](=O)[O-]	408599675	YIDMWCAPKRRPKT-OPEKNORGSA-N	661.621	5.800	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)CC2=O)cc1	408606393	LUYVAWLSEAILDF-KRWDZBQOSA-N	530.408	5.086	50	40	KKGB	
O=C(NNc1cccc(OCc2c(Cl)cccc2Cl)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408609290	QXEAGXFTXAMVTI-HNNXBMFYSA-N	549.252	5.831	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408612275	YBJKKIGBTQRLFO-OAHLLOKOSA-N	539.246	6.375	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408637807	BDQISGSPFXUKJQ-NCYKPQTJSA-N	692.744	5.314	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408642272	MPWNAQQVPQMDFL-OAHLLOKOSA-N	849.354	8.716	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1C	408650658	MOTKSGAKQPMETB-ZOQGBNKYSA-N	657.186	5.628	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	408661486	XEKKYHXFOZVKRA-NXQKYAITSA-N	531.823	5.038	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(Oc2ccccc2)cc1	408680126	DFJVLTPSPIKLIP-NDBXHCKUSA-N	567.425	5.389	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408743588	BHRKSFCIXZDKQK-MFOYZWKCSA-N	634.224	6.095	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)c1	408745808	PGKBVTNYZAKFPL-OYKKKHCWSA-N	557.444	7.134	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NCc1ccccc1	408747772	STTMBACNOOBPPQ-GRSHGNNSSA-N	516.222	6.558	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408759774	LHBDJHGGTNQJNM-UVHMKAGCSA-N	633.291	5.837	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1cccc2ccccc12	408764146	WFYXKXPYHPNRQN-HMAPJEAMSA-N	517.412	7.670	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(I)cc1	408785513	GRQGBVNVYMEUHU-GATIEOLUSA-N	542.204	5.535	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1F	408789274	IGMFZOHXZBEJIN-RGVLZGJSSA-N	556.375	6.180	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408792054	HCRLURBACJMULS-LHHJGKSTSA-N	696.981	8.792	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1	408806723	BNELOBHYWXMGTB-UUYOSTAYSA-N	502.368	5.132	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1	408815197	URNNPFIOUFYVKI-PNEAAFPUSA-N	539.679	7.833	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408826121	SUYMCENEOBERGC-VULFUBBASA-N	635.975	9.366	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408827660	FQLVNHOSPXQVNI-QNKGDIEWSA-N	587.698	5.327	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1	408830166	RJTBUUWIMRSFOU-JBASAIQMSA-N	537.682	5.068	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c2ccc(C)cc2)cc1Br	408832165	WZLOOBSDTYYMFB-FABQOPTDSA-N	731.463	6.462	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	408833359	ULERMYHJRYZQOV-JJKYIXSRSA-N	521.683	5.449	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	408837470	GFLPAHHOARDADS-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC	408842368	JMVDLIUMNQQZPR-QMJAREOGSA-N	579.609	5.347	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1	408844204	VJUSXZIUPIATKQ-XICOUIIWSA-N	598.124	6.726	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc6ccccc56)c(I)c4)cc3)cs2)cc1	408845166	PEVZLDVRXHVHGD-HASSKWOGSA-N	694.598	8.963	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1cccc(C)c1	408849583	XLFSUAVBABELPO-BZFSWPTRSA-N	583.732	8.231	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408856295	QBZUQPSKPBPTGN-MNBJERMJSA-N	687.319	6.991	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2cccc(Br)c2)cc1	408858669	KCHVQHHVURUASX-CCVNUDIWSA-N	554.388	5.122	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc2ccccc2c1	408858882	RDSJLOCRBCMQKZ-UHBFCERESA-N	529.390	6.700	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408863497	OROFEZDAHFMRTL-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cc(Br)ccc1O	408871329	YJNROQJTJQJKTN-DBFSUHOCSA-N	633.134	7.176	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1	408875759	HMICUMQLDPBDIQ-XPGZBYHPSA-N	632.742	5.541	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(OC)c1	408894515	JJOILXQUGZTBFW-KKMKTNMSSA-N	566.221	5.711	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OCc1ccc(F)cc1	408925929	UYUKSGYKOZQPRN-CXUHLZMHSA-N	505.760	6.919	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1Cl	408939724	BINDQJMZAXBGQM-MHZLTWQESA-N	844.897	6.013	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c(OC)c1	408954321	NJYWQWQKVJHPFX-HVJLQFNCSA-N	764.855	6.173	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408970424	HQAOHQWFGMSVNA-HNZKSSIESA-N	616.929	5.703	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C(\C#N)C(=O)NC[C@@H]5CCCO5)cc4[N+](=O)[O-])sc3c2)cc1	408987165	APNYDRNQDPXBDE-RQLGBQGVSA-N	599.694	6.119	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408992726	BHJAQLSDRZZEQC-DPNNOFEESA-N	516.085	6.744	50	40	KKGB	
O=C(N/N=C\c1cc2c(cc1Br)OCO2)c1cc2cc(Br)cc(I)c2o1	409020365	ONCJRLKNHHCZTK-MPUCSWFWSA-N	591.981	5.055	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1cc2cc(Br)cc(I)c2o1	409020787	TXTIGOJSIIIPIS-YSURURNPSA-N	646.098	7.071	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccccc1F	409037631	UATZXGOGTFYUIO-KMUKQRDJSA-N	645.472	7.387	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1	409065579	JKUXZGZMADASRW-SFQUDFHCSA-N	638.867	5.665	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409115776	HETZEIJYRTWNTB-FDAWAROLSA-N	568.482	6.127	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1OC	409121984	XXMULZWZMDFVIQ-VFLNYLIXSA-N	600.908	5.014	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)[C@H](O)c1ccccc1	409146077	QXMGPWIENFTUSR-KSRKCLLLSA-N	646.650	5.312	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409157524	QZPNKCKHFNBKGD-VFLNYLIXSA-N	655.276	5.103	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1ccccc1C(F)(F)F	409161444	XHZVVZOIWOKEOO-RVDKCFQWSA-N	676.273	6.280	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1cccc(Cl)c1C	409169983	RPGZTJLHEKHQAD-VVEOGCPPSA-N	577.852	5.460	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409216519	IUTJYBQVOLTARA-NVMNQCDNSA-N	503.769	7.597	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409228663	CHHGSDZIZDXMBT-YVLHZVERSA-N	606.370	6.569	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1Cl	409259602	BGTUZLZANJJRKJ-WBIBEUCMSA-N	640.165	7.696	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	409263296	BNWJUCQMPPVMST-FABQOPTDSA-N	596.112	7.297	50	40	KKGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)=C2C#N)cc1Cl	409310920	XHGASFMUZXZFLD-CYBMUJFWSA-N	574.806	5.840	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)ccc1OC	409310989	XQFCQURGCSGKFQ-MUXKCCDJSA-N	531.378	5.347	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)ccc1OC	409314784	HFKWIVBYBYGJFM-WKIKZPBSSA-N	557.839	5.586	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OC	409317067	NVLODGZAGSCBCX-UHBFCERESA-N	540.016	5.236	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(CC)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409317558	VIYIQQAXKLINJE-VXKWHMMOSA-N	562.475	5.064	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c1	409371480	GFKIORVVLSXCLD-RWPZCVJISA-N	506.400	5.542	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387257	VKOGDRMVWZVQKY-RPPGKUMJSA-N	528.359	6.054	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)cc1	409394785	FVJVMFGGJLWWKK-UHFFFAOYSA-N	568.427	6.589	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)cc1	409395223	LEUGNWUICBPABW-UHFFFAOYSA-N	615.427	6.431	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396181	FABOZTUAOORJOR-UHFFFAOYSA-N	670.471	8.551	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)[nH]c12	409396183	WXLPQEPDFMBBJC-UHFFFAOYSA-N	711.794	8.014	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(F)cccc4c3-c3ccccc3Cl)cc2OC)cc1	409396985	DQSQCRKQTQAMBS-UHFFFAOYSA-N	571.992	6.628	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cc(Cl)ccc3OC)c(-c3ccccc3)c2c1	409397652	MIMXNQLUFNXTER-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397987	PYLKPBMBNLBTJH-UHFFFAOYSA-N	629.454	6.740	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(Br)cc1	409400018	AZKLHMCPEVEUOS-KOKCXWAISA-N	721.446	8.533	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(Br)cc1Br	409401152	GPSIHVPHDQEDTF-OAZBTLTBSA-N	834.787	9.949	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)o2)cc1	409402220	JDZNKTYBEQUAEH-RODHXAHZSA-N	695.383	8.273	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@@H](c1ccccc1)c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2	1857795091	LJVIRCGVEIEVNU-RHBXAEEVSA-N	515.615	5.315	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N2)cc1	2310293	MNSFLQYJLQLYTC-XMMPIXPASA-N	512.031	5.368	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccc(C)cc2)cc1	2343465	OYVRZPMFCMTUPE-MZJWZYIUSA-N	537.001	5.055	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(Br)s1	2696290	MNPIYPOIQOWWHE-WYMPLXKRSA-N	577.327	5.763	50	40	KKGB	
C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1cccc2ccccc12	2740396	DTTZUEYJNHTQEW-HKWHQKBISA-N	556.695	6.817	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1ccccc1	3090220	BNPVPJPAWBHZQZ-UXHLAJHPSA-N	531.406	5.913	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	4196159	SYMYPUMQHVLGOE-BOPFTXTBSA-N	530.191	6.475	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c(Br)cc1OCc1ccccc1Cl	4196279	BBKVZRSVXNUPAO-MHDJOFBISA-N	627.004	7.802	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(Cl)cc1	4196350	YRDKAOQTEIVPEL-LZYBPNLTSA-N	523.641	8.061	50	40	KKGB	
CCOc1ccc(N2CSC3=C(C#N)[C@H](c4cc(Br)ccc4OC)CC(=O)N3C2)cc1	9693552	GFNVWUGMLWITBD-SFHVURJKSA-N	500.418	5.076	50	40	KKGB	
COc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C)cc3)=C(C#N)[C@H]2c2ccco2)cc1	20347900	FKGVYSAMWYAULQ-SANMLTNESA-N	514.607	5.303	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1ccc(Cl)cc1Cl	58913075	FUKSMQIXCBOGFK-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl	58913135	ZSJXEKYIPARDFN-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2ccccc2C)cc1	58915456	OXSPFGKQPIXIBP-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)N1CCN(c2ccccc2)CC1	59333382	ZSMZDDNUTGNQHO-JWGURIENSA-N	520.402	5.423	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21	97959604	SDXJPCPCENMFMJ-UHFFFAOYSA-N	804.132	6.102	50	40	KKGB	
c1ccc(P(=Nc2cccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c2)(c2ccccc2)c2ccccc2)cc1	97983508	WCWCHQYROVLJLQ-UHFFFAOYSA-N	628.696	9.305	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	98048513	LTLHHKIJTWYGRN-DEOSSOPVSA-N	651.892	7.421	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	100124436	KQBVLBLWZTVHCF-RDRPBHBLSA-N	565.493	5.202	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	100232769	DGURHKHWAJTHCK-CIAFOILYSA-N	570.281	6.413	50	40	KKGB	
COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1	100284272	XBQWZGHJDNIMCE-HNSNBQBZSA-N	606.100	5.360	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1	100336491	QYBSCNNOQIQNCF-WQRHYEAKSA-N	544.776	6.078	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)sc2c1CCCC2	101001109	FLQWJTUEUXNKKX-NDEPHWFRSA-N	612.777	6.510	50	40	KKGB	
O=c1[nH]c(SC[C@@H](Sc2ccc([N+](=O)[O-])cc2)[C@@H](Cl)c2ccccc2)nc2sc3c(c12)CCCC3	101096275	MQJHBAZFFKXSAD-IRLDBZIGSA-N	544.123	7.005	50	40	KKGB	
CC1(C)[C@@]2(C(=O)N3CCc4ccccc4C3)CC[C@]1(C(Br)Br)[C@@H]2Br	102725587	DILNGCNUERXJDL-KYNGSXCRSA-N	520.103	5.257	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2[N+](=O)[O-])=C(C#N)[C@@H]1c1ccccc1Cl	102808282	RCNWXVJOKMGAGI-VWLOTQADSA-N	575.046	6.016	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102810095	ZXIBLVMWWXUCSK-AREMUKBSSA-N	594.480	6.608	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342197	FRQAGMSXVKZWKI-UWTATZPHSA-N	742.023	9.022	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	150370588	WLSVTHYMLXZFJB-PMNVOCJDSA-N	653.466	6.085	50	40	KKGB	
O=C(CCSCCC(=O)N/N=C/c1ccc(N(CCCl)CCCl)cc1)N/N=C/c1ccc(N(CCCl)CCCl)cc1	150487161	XBWAYOANFHZCOD-WXGDAXOSSA-N	662.515	5.368	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	162393465	BBLARNSVGZICQK-HNSNBQBZSA-N	649.567	5.429	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550099	BLEWDWGKPGXUML-GZTJUZNOSA-N	526.376	5.661	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(OCc2ccccc2)cc1	408551285	BYUWQDSSRDZCDC-KOEQRZSOSA-N	532.669	7.031	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccc(Br)cc1	408555387	XFTVEVFNZJDIQI-GZTJUZNOSA-N	502.195	6.838	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(Cl)cc1Cl	408581106	UOQYGJBVNBJOAA-VIZOYTHASA-N	572.511	8.815	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408599300	SEIYMGZIGCTNTL-AMVVHIIESA-N	611.307	7.247	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1	408609793	SAMMJPAXKRVQCI-INIZCTEOSA-N	504.801	5.722	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408646180	TWJCEJLGIMSXQN-YCAMKHIRSA-N	782.225	6.283	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408654914	QZQIMOHQKVZFPR-CYJHHTLLSA-N	661.944	7.262	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1	408664936	PZFRGCATPATJNL-UHFFFAOYSA-N	530.065	5.817	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408677499	RBGUJGLLIYZLMK-WKULSOCRSA-N	636.182	6.917	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1I	408711947	RXMYHQWKEAODPD-ZVBGSRNCSA-N	660.031	5.052	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2-c2ccc(-c3ccccc3)cc2)c1	408724290	JQXBMOYJBFHYJF-FADJLKOXSA-N	522.608	7.137	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408725293	GUUCTODDYLAYNT-LQKURTRISA-N	518.367	5.782	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2Br)cc1	408745301	QYRPVHFERFXTJJ-UNOMPAQXSA-N	526.228	6.645	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC	408763606	JAXCGGVRDQGZKQ-NVNXTCNLSA-N	552.219	5.098	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)COc3cccc4cccnc34)cc2Br)cc1	408764069	IHRIIRZMBOQTOB-IPPBACCNSA-N	633.318	5.365	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1c(Cl)cccc1Cl	408771979	MBKBWQXNVXINGW-DHDCSXOGSA-N	613.666	7.385	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	408784179	UCWZXCYDMDFPHK-JBASAIQMSA-N	505.684	5.843	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1	408791908	FDXWSPNSPQDZON-YBFXNURJSA-N	574.258	7.057	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1ccccc1Cl	408793545	PJXYXHACEVCFPM-XDHOZWIPSA-N	541.829	6.634	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Br)cc1	408793604	FVJJSYNEHQRVEW-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)cc1	408799353	YTANVABIEULBTD-SRZZPIQSSA-N	593.377	5.083	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)cc2Cl)cc1	408810422	MESMDZOTPAPHGN-UDWIEESQSA-N	525.388	6.303	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1cccc(Cl)c1	408811572	NYIXXOIPKBMSTB-VCHYOVAHSA-N	590.699	7.388	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccc2ccccc2c1	408816024	INHMAOXKBUTWPD-YSMPRRRNSA-N	618.471	6.654	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccccc1	408820889	AEYQOGDMXMCZSN-OVVQPSECSA-N	504.586	6.707	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408822155	ALIWWPQTPWQZPS-WSDLNYQXSA-N	764.241	9.073	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408823245	DMINXGZQHZMEOJ-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1Cl	408827939	IAYMTVZNDGWCIT-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408834373	YFGHOMHFCWWEOJ-KAJJTAOCSA-N	566.235	5.634	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc(OC)c1OC	408839066	MJJSRFQTDWQSAG-KULFSUQXSA-N	723.001	7.578	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC#N	408840543	ZETBTQJPGSCSJE-AMVVHIIESA-N	643.894	6.487	50	40	KKGB	
O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408841709	GZQUWGZZPYGBHY-AWNIVKPZSA-N	520.954	5.190	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccccc1C#N	408842433	KCZIYONJJVSYHZ-ODNPBWNPSA-N	608.123	7.820	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Br	408842570	OQWJWCMUIGMGLK-IPBVOBEMSA-N	616.257	6.135	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1	408843524	LWLWBDWXHSLADB-NYCKPUFASA-N	503.558	5.630	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2ccc(Br)cc2)cc1	408858206	NNDGJZZOGUKNRL-CCVNUDIWSA-N	554.388	5.122	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OC	408859649	OLMSGSLGHOZOHU-WCMJOSRZSA-N	626.451	5.387	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408859703	PMJGJNPLTAWRAZ-OCSSWDANSA-N	578.518	5.835	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1Cc1ccccc1F	408872093	KGPWQDIBNFNAHY-WOJGMQOQSA-N	560.794	6.619	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1Cc1ccccc1Br	408875857	LOHNUOATOHPKGA-WOJGMQOQSA-N	558.245	6.886	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1cccc(Cl)c1	408875946	ICRAHUBLNBCRCZ-CIAFOILYSA-N	586.857	7.030	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl	408886348	KFEPBYVZHZQBOH-VZUCSPMQSA-N	519.020	6.463	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1c(Cl)cccc1Cl	408889585	FRDVBCGMGAWNAK-XNTDXEJSSA-N	506.172	7.065	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1	408889918	KYVONJNMSANLRN-KKMKTNMSSA-N	566.221	5.711	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccc(Br)cc1	408890109	NZIPIWYPSRNPLC-LDADJPATSA-N	507.340	5.281	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Br	408890186	PIBNZOXZUGYFJN-WOJGMQOQSA-N	637.699	7.230	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408898444	LJARPDQMQRCCEK-LGJNPRDNSA-N	562.094	5.277	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2OC)cc1	408899778	QSQPDGDVLIEJRN-KGENOOAVSA-N	604.400	6.226	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OCC)c2)c(OC)c1	408923718	KTLSMBLBHCFYEQ-OGEPBOSOSA-N	695.567	5.156	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	408925559	SCHAFCJEEAKCMJ-XMHGGMMESA-N	547.976	6.023	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1cccc(C)c1	408926905	ZAILXWUJOFKYCX-UDWIEESQSA-N	617.281	6.886	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c([N+](=O)[O-])c1	408938833	AILNMHFNXFNKGC-MHZLTWQESA-N	716.998	5.475	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccc(C(=O)OCC)cc1	408943150	HCLOUPWQZROUOS-LJAQVGFWSA-N	744.064	5.743	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccc(C(=O)OCC)cc2)c2ccccc12	408953283	XIWZFWBKDHTAET-MGBGTMOVSA-N	667.788	5.060	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OCc1ccc(Cl)cc1Cl	408953645	MGKOTHHLIGKXBD-WHNQQBDFSA-N	711.599	6.038	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408957668	VKZRMPSPPRPSBA-VULFUBBASA-N	561.230	5.782	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408961782	FARTYDKIHQDCAX-KLPHOBTLSA-N	545.772	7.407	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408963065	MDVNRUSKGIPKNL-KNBZMSCYSA-N	576.196	7.126	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2o1	408965793	MCGMUBGQMNLFPU-AUEPDCJTSA-N	520.748	6.265	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408969053	GLBASUCLIXXSEP-MNBIMCMKSA-N	659.397	7.524	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408970584	IVNXKELIIKTCHC-MBPMXQBASA-N	747.901	8.032	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408971135	MWBWJLQVTHXXNH-HQTYHRRTSA-N	600.543	6.216	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	408971995	NFUXTZGSVPVNOP-UEVMZNPTSA-N	634.560	6.535	50	40	KKGB	
C[C@H]1CCCCN1c1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N	408977325	WVWTYQYXYHTPIK-XZBHOHHTSA-N	550.667	6.056	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(Br)cc1	408981345	AMHHEYNNDPOZLW-GRSHGNNSSA-N	651.726	7.539	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc(OC)c1OC	409001323	HSPTWEMKJSGJHX-MRBOLSKUSA-N	658.505	6.110	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1OC	409009246	CJANOCIVGPWSTD-GZIVZEMBSA-N	608.024	5.344	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409018011	HAAKUFVXBWDEQJ-BGCQZHMXSA-N	689.080	7.102	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	409020678	RZSFTALHSCQEMC-JVWAILMASA-N	536.506	5.099	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409030662	DZFGIXSHGXNXTH-NKHVPTTDSA-N	639.764	8.967	50	40	KKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)c2)cc1	409032340	ISDGQFYXLWPGIZ-HNSNBQBZSA-N	532.669	7.513	50	40	KKGB	
C=CCOc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)cc1OC	409038949	FZWPKCJSYWAQTH-STBIYBPSSA-N	516.395	6.002	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	409044412	CRCUVTRXJNGEOE-YBFXNURJSA-N	515.418	6.232	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1	409049165	VFADGBAXAQHORZ-RQZCQDPDSA-N	546.646	6.990	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1cccc2ccccc12	409075419	YMXLUWNRAQPCJC-YZSQISJMSA-N	533.584	7.000	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1C	409078009	GZHNGVIZXLDIBZ-XKJRVUDJSA-N	657.265	5.793	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409079153	KEOJFCTWJXYBHT-BCHBDCPOSA-N	570.214	5.735	50	40	KKGB	
CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	409086603	WDRFBYDENDYYLE-CHHVJCJISA-N	546.188	6.046	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1cccc(Br)c1	409129490	GHUXSOYWDVVHKS-CCVNUDIWSA-N	501.384	5.120	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(C)cc1	409139066	LYGQYAIDSOUCHC-XMMPIXPASA-N	569.443	5.307	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1Cl	409173818	KNEDVBKLAGKQOB-XAZZYMPDSA-N	683.330	5.665	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4ccc(C(=O)O)cc4)cc3Br)cc2c1	409187002	KSBMYKLNLMJNLU-MNDYBZJGSA-N	581.419	6.034	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(I)cc1	409190021	USMWXRMYMPZOIQ-UVHMKAGCSA-N	613.677	6.449	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1	409219501	NFQGROWCOWKYSN-MZFJOGFUSA-N	525.992	5.813	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	409219677	OZEVHVNUNRWXJW-UHFFFAOYSA-N	601.413	5.901	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1	409228243	WHYYJQKKHLNDAS-WCEBZYJUSA-N	525.830	6.474	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(I)cc1	409246153	FTUWXWZNVCDUKI-XOASYVKCSA-N	592.477	6.782	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409251814	BTQAROGCGCJNIH-BKUYFWCQSA-N	534.012	5.927	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409265410	IDEDFBMZUGUVDD-NUJZUDFISA-N	558.860	5.899	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1C	409267816	XTYYUQKZPNLVMD-LPYMAVHISA-N	518.411	5.307	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409269067	DMWPXQLRMPCHHP-FRKGHFGRSA-N	688.637	8.657	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409271970	WYGGFNCUZJPYBL-RGVLZGJSSA-N	616.434	7.047	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCCC)c(Br)c2)cc1OC	409305680	WNMGLXGHLRORDN-CFRMEGHHSA-N	526.225	5.338	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)ccc1OC	409317892	SNYNQEOLQKMEHI-CAQPMQTCSA-N	624.475	6.593	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OC	409322279	JPUBZTIYIATZBL-MBTHVWNTSA-N	611.898	5.440	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)ccc1OCc1ccccc1	409330497	ATRJWKVZIUORMW-OHUYPAJKSA-N	577.450	6.909	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1Cl	409371176	CIDZZOQAGWICDP-GRSHGNNSSA-N	513.775	7.053	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)[nH]c2c1	409373888	IRBLSTOVZMROLF-JWGURIENSA-N	505.603	7.402	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Br)c1OCc1ccc(Cl)cc1	409386368	MXRAXXHZYACYMR-UVHMKAGCSA-N	508.844	5.063	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C)cc(C)cc2c1-c1ccccc1Cl	409395417	NHSGIINPYUVICB-UHFFFAOYSA-N	665.371	8.513	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1	409395669	QMMRFPXFBUJXFQ-UHFFFAOYSA-N	557.528	6.845	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(ccc5ccccc54)c3-c3ccccc3)cc2OCC)cc1OCC	409396150	CYZREFZWVSZSIJ-UHFFFAOYSA-N	641.724	8.167	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)o2)cc1	409400394	CTDFMRFRQQNVHX-QJOVZPHJSA-N	601.663	7.250	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1	935380	SOIORIDFEMAAPF-GHIWRQRASA-N	577.287	6.092	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Br)n2C2CCCCC2)cc1	2233745	VCDDWDCGSBCUSL-CVKSISIWSA-N	512.477	5.764	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	2342927	HSZKRUWHQSXFJM-RKZIHRPTSA-N	508.430	6.367	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(C(F)(F)F)ccc3Cl)c2C)cc1OC	3330428	AZSOFFVYGBREOV-DEDYPNTBSA-N	531.962	6.049	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCOCC1	6445746	QCEZKCHLIFIBQP-TVMVJRKWSA-N	595.077	6.014	50	40	KKGB	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccccc1OCc1ccccc1	8397224	PXCQPKJUUISSJI-UHFFFAOYSA-N	548.068	5.518	50	40	KKGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1	20233198	RQCZNOXBGSGEHE-JFLMPSFJSA-N	520.438	5.126	50	40	KKGB	
O=P(N=P(Nc1ncccn1)(c1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1	98008931	VECZGWIBACEIFA-UHFFFAOYSA-N	526.473	6.922	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	100221038	OOYNHLCVILWKLD-ITYLOYPMSA-N	539.657	6.142	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c2ccc(C)cc2)cc1	100242894	QRHCAVFEEAZRRG-XZYGTATASA-N	612.674	6.166	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(CC)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	101087075	KZLVVTOHMYILMN-LDETYFQJSA-N	519.736	7.738	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)cc1	102436787	UVXUPXSKNOESSY-OSGIAPPUSA-N	610.525	5.732	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	102810268	VKNKKNNVTGKORW-JGCGQSQUSA-N	574.681	7.258	50	40	KKGB	
CC(C)C(/C=C\c1ccc(Cl)c(Cl)c1)=N/NC(=O)N/N=C(/C=C\c1ccc(Cl)c(Cl)c1)C(C)C	104304537	HPEDTLWUJMVBLM-HAUHBYLVSA-N	540.322	8.350	50	40	KKGB	
FC(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341877	WEBHPJGNOLSOBC-REOHCLBHSA-N	942.051	11.564	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341935	UXXZYNYPTVYSNZ-OAQYLSRUSA-N	890.532	14.867	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341949	IMWCMCXEIHVBOS-JOCHJYFZSA-N	754.538	13.351	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	162408151	NGFNJSNQLDSWSQ-MHDJOFBISA-N	630.391	8.400	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1c(Cl)cccc1Cl)[C@H]2Br	195528944	FRIJSEMWBJNKIY-UVBJJODRSA-N	548.928	6.618	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408539327	VLQGXWMLQCLZMV-USHMODERSA-N	578.665	7.196	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408540810	BWDGRROQLPKBRM-IUXPMGMMSA-N	574.200	6.174	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(C#N)c1C	408545943	ADMNWYJJHQANSJ-QGMBQPNBSA-N	573.885	7.363	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408551041	JDVMJEZYKVUSNO-VGOFMYFVSA-N	640.115	6.787	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2Cl)cc1	408581926	ZYTXKTXCYAHAGB-OVCLIPMQSA-N	513.229	7.441	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OC	408583865	XXVJWBQJWGUOGZ-GIJQJNRQSA-N	519.222	7.416	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408586326	MVWMNHMMJJZBBN-IDUWFGFVSA-N	619.113	8.947	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408641984	LTORVYXDYMGIOJ-ODAXIHTASA-N	816.124	7.137	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408657495	UJKWQRYJEGYIPV-PWNYLBOHSA-N	659.158	5.020	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408676590	KWUAAMLAEHIIPD-FJEPWZHXSA-N	577.306	6.708	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408687871	VHUBXXQBHHEXFT-CPPNMTBBSA-N	601.122	5.329	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)c2ccc(C)cc2)cc1OC	408727188	OZUSONGYNSPVEG-PPFNPFNJSA-N	600.697	5.000	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(I)cc(I)c1O	408735029	MJQPCUOAWDVLTB-VZUCSPMQSA-N	564.548	5.109	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Cl)c1O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408740522	BVSYFPROWZTRES-HNSNBQBZSA-N	570.874	7.697	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)c1	408745016	JCDGYRGIZNJEDU-JCMHNJIXSA-N	523.549	6.134	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408745717	VBSZTXDTYCRWGX-MFOYZWKCSA-N	580.693	7.933	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1	408746094	XGBGGMMOWDWPHO-WQRHYEAKSA-N	593.248	7.121	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2C)cc1	408754635	OCRPLAUISNUQIZ-KPGMTVGESA-N	552.509	6.586	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408759819	MIESLQFPFGLCHK-GZTJUZNOSA-N	606.292	5.842	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(I)c1OCc1cccc2ccccc12	408761546	GOYTYHJWMZZIHI-HMAPJEAMSA-N	700.314	7.572	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408764149	QELSLRYFGRSMGX-WJDWOHSUSA-N	698.289	5.674	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408789418	QCCGEAASMIPSKD-FYJGNVAPSA-N	596.377	5.291	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I	408789760	LACXIYHWUCXUKV-VGOFMYFVSA-N	511.157	5.225	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(I)cc1	408789885	OHQZNDIHMKUGOG-MSXFZWOLSA-N	546.459	5.551	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c1	408794004	HNQIPLVKRZHEFX-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccccc1	408795446	VLALUFONEKSRDL-LDADJPATSA-N	514.750	6.069	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc2ccccc2c1	408795491	LJDQOWIPSRPHNU-OEAKJJBVSA-N	608.863	7.621	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1	408800046	JRCJZGSFHQPMOF-LPYMAVHISA-N	582.438	6.440	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccccc1	408809517	HSAWGONULXZLBE-OEBVFIGYSA-N	684.315	7.412	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1	408811875	RXFOQBMSRDAENH-LGUFXXKBSA-N	512.565	6.904	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408832432	TXVBXWNMXWZKTA-AIMOZCANSA-N	759.428	8.016	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccccc1	408841531	LBPZCBPUOYJZHA-TWKHWXDSSA-N	514.651	5.002	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408846197	RCQFDJVAOAJGOG-PTEHHBOZSA-N	761.842	9.056	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc(F)c2)c(I)c1)c1cc2ccccc2o1	408847420	MMXVJLKSGSKQKQ-ZMFRSBBQSA-N	514.294	5.519	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408850555	BXHHWYNIIBXGOQ-OHUIHDMLSA-N	634.712	6.048	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc(C)c1OCc1ccc(Cl)cc1Cl	408850564	CBDFBIXPFNOYLQ-ORBVJSQLSA-N	601.122	7.184	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408851970	OMNXRSLDJHICQR-OJYCWLPVSA-N	639.506	7.475	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1	408860065	RNNSKKXVMYIPQV-JBFMKSPFSA-N	646.769	5.584	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408860267	ZNPNQWKEANRUAI-CPDSRJINSA-N	558.259	7.574	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408860804	FKSGXXPUWATAAP-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408864082	SOWQNMQTPRGKCM-XICOUIIWSA-N	638.702	5.990	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1Cc1cc(C)cc(C)c1	408867788	LSZZLFQPKMWHGG-FSJBWODESA-N	550.440	6.670	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1	408874402	BAMPHRWVYSUGDT-YDZHTSKRSA-N	503.440	6.773	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408879951	GEWXTXKVWBDDJE-DEDYPNTBSA-N	510.999	5.669	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408884107	SQLKRZSPESPNJX-CAOOACKPSA-N	661.245	8.140	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccccc2)cc1	408884269	TZUJXFNXCWWINK-RDRPBHBLSA-N	546.605	5.324	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccccc1C	408887073	LWAIUVBBTZAYMU-UVHMKAGCSA-N	540.439	5.729	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408893280	DNVKYXSHHPSOFZ-XDHOZWIPSA-N	653.270	6.980	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1OCc1cccc(Cl)c1	408895387	MQEFQNSPGSJSCD-ZCTHSVRISA-N	500.982	5.314	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OC(=O)c1ccccc1	408896174	PTRCNWCAAHPRHV-YBFXNURJSA-N	550.365	5.829	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1OCc1ccc(Br)cc1	408921739	BPLBQNLQMMPTLR-QGOAFFKASA-N	542.227	6.345	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2OC)cc1	408925686	STVNUVARAOGJOC-LTGZKZEYSA-N	514.559	5.170	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(F)cc1	408947920	DPENJVYBZYEIJS-MTJSOVHGSA-N	548.412	5.923	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccccc1	408967547	QUYXSTHKPDDUGT-VFLNYLIXSA-N	597.331	5.100	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccccc1	408976670	BPFVOQYSLDQNHU-ZLZXEHKWSA-N	574.475	6.509	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccccc1F	409010802	LLZMCQKJFADPDA-KVSWJAHQSA-N	623.216	6.291	50	40	KKGB	
COc1c(I)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409033147	DYHCNRGCFIZSHV-MZJWZYIUSA-N	586.227	6.041	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409047132	MWNPYXXCWOPKOA-DEDYPNTBSA-N	519.985	5.619	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccccc1Cl	409103759	FQWLTNJMDGHGPW-DEOSSOPVSA-N	541.785	5.637	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(I)cc2)c(Br)c1	409139412	NLBWEKLHPMKRHZ-JOCHJYFZSA-N	575.200	5.556	50	40	KKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	409146975	UFKTWNAECGOSDR-FJEPWZHXSA-N	509.458	7.109	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)o2)c(Br)c1	409157204	QIADIQXPSWITFZ-IHUOHLDMSA-N	551.268	6.229	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409169416	QMSSYEGSTAFGSJ-IBBHUPRXSA-N	662.912	5.320	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4C#N)c(Br)c3)cc2c1	409187587	SFCIIEVLWIDTRY-FDVSRXAVSA-N	518.367	5.809	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409213911	UIDGYSGDBZRXQJ-ZDLGFXPLSA-N	527.274	5.751	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(C)cc3)cc2)cc1	409219369	LZLRWHLRBUMAKP-MNBJERMJSA-N	536.544	5.447	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccc(Cl)cc3)c2)c1	409219984	SIRVYUMGQJUXDK-CFQFWYOCSA-N	616.899	7.046	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc(C)cc2)c1	409227419	YIJNTYLFCXEKBR-UHFFFAOYSA-N	699.783	7.417	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccccc1	409230866	GRVGVJJFXPJIKJ-OBLBUWMUSA-N	679.252	6.167	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)n1	409240165	RSIDEPTTYLHAAH-CCVNUDIWSA-N	535.467	5.831	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	409240549	QLGHADHFJPACLZ-PPDIBHTLSA-N	646.092	6.227	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2cc(C)ccc2C)c(C)c1	409255700	ILBLVBLFNROXHF-SRZZPIQSSA-N	611.334	7.008	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	409257716	UNJLZFFFTNPRJE-WWTGGXICSA-N	526.818	5.185	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409304044	PGGFECPQJBLREI-MUXKCCDJSA-N	503.433	5.577	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OCC	409304233	QNZBHNAPDAJPJU-MNDYBZJGSA-N	588.886	5.990	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OCC)c2)ccc1OCc1ccccc1	409312565	LUJMPDFULAZMMG-RHKOWXKBSA-N	574.677	7.559	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1OC	409316881	NNJJENFYTROMFY-QDTIIGTASA-N	507.801	6.397	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N	409333067	BQQHGORBYNRLPY-LCZQGTCJSA-N	715.289	5.381	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409333446	PHPGQGSPVXJMSN-ZRGSRPPYSA-N	549.323	5.773	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccccc2)c(OC)c1	409373739	TZZLUINDBZCGFV-OKCVXOCRSA-N	609.420	5.243	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409382601	UVPLOAYTKCRARY-KKMKTNMSSA-N	507.215	5.897	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br	409383555	WVCQQBXDRLMMBJ-ZMFRSBBQSA-N	561.230	5.002	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2I)c1	409385938	MOENBIGWUDFDLJ-LGJNPRDNSA-N	571.396	6.065	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387639	XJUKVEIFCWFRNS-KBKYJPHKSA-N	589.811	6.477	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCc1ccc(I)cc1	409390504	DMNBNIBWQVPTOV-ZDLGFXPLSA-N	585.829	6.871	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)cc1	409394527	BPGZMWMSKBVSBQ-UHFFFAOYSA-N	602.488	8.042	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)cc1OCC	409394907	HFTZRHMHCIQWNQ-UHFFFAOYSA-N	739.848	8.794	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409395129	KDZQVUOZFGQKKV-UHFFFAOYSA-N	713.348	8.979	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397604	LTTNTQQGQGSRLW-UHFFFAOYSA-N	517.585	6.443	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(C(=O)O)cc1	409405718	UWVOBOMIJOPICT-AEUUOICLSA-N	638.633	6.224	50	40	KKGB	
C#CCOc1c(Br)cc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409406244	BAIVGRVPRUSYKC-ACXHZZMFSA-N	580.866	6.458	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409407227	ZDSKTOFUBHKUFQ-LIZYOPNSSA-N	685.515	5.974	50	40	KKGB	
CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)o2)cc1	409407700	GVVJULFFPWAWBC-CAQPMQTCSA-N	600.653	5.115	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccccc1Cl	1529548784	NUEPIHALUCVPLE-LLUBMPASSA-N	677.223	5.931	50	40	KKGB	
COc1cc([C@@H](N[S@](=O)C(C)(C)C)c2cccc3ccccc23)c(P(c2ccccc2)c2ccccc2)cc1OC	1857795004	GDVFMOUEWXCVPL-FJOUAFLFSA-N	581.718	6.756	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Cl)nnc2-c2ccc(Cl)cc2)cc1	1825293	QVIJLRIZYUVVNQ-RWPZCVJISA-N	526.449	5.882	50	40	KKGB	
CCCCOc1cccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1	2283794	XIFCPPKPGKHOTB-VKAVYKQESA-N	522.424	6.834	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1c(Cl)cccc1Cl	2706458	HCFADIKSAOKNGM-UVHMKAGCSA-N	561.292	6.246	50	40	KKGB	
O=C(CNc1c(Br)cc(Br)cc1Br)N/N=C/c1cccc(Br)c1	3091730	NVVGAOUJLBQCGY-QPSGOUHRSA-N	568.889	5.299	50	40	KKGB	
O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C/c1cccc(Br)c1	3091793	LFDIVBUOHOEYQY-QPSGOUHRSA-N	524.438	5.190	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(F)cc1	3232387	PPRWSXZCOSZQAT-VCHYOVAHSA-N	563.345	7.130	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)cc1COc1ccc(C)cc1[N+](=O)[O-]	8456104	JGJWTBQUMOLBKK-LJAQVGFWSA-N	604.585	6.814	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc2c1CCCC2	13647938	QLUWIZQUONIYAJ-ACCUITESSA-N	504.464	7.210	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)cc1	19948707	BMOTXVPDEJUHLM-UHFFFAOYSA-N	511.732	6.782	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2CN(c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1	35682045	ROBZDLAGDCCYLH-XMMPIXPASA-N	513.881	7.371	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc2ccccc12	35999799	SAMRSSWVPZSPPC-KPGMTVGESA-N	622.313	7.853	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCCCCCCCCCC	72400281	FLDCAMVHHWVNHF-PGUFJCEWSA-N	615.424	12.423	50	40	KKGB	in-vitro
CCOc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C/c3cc(Br)cc(OC)c3O)n2-c2ccccc2)cc1	97959389	PTLPLBZJRNLDTF-ZEHKQSLBSA-N	625.549	5.386	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	97962093	UBFQSUQSNPWBKX-HEDSQIJBSA-N	664.325	6.904	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1cc(C)ccc1C(C)C	97963978	FMANZRRZOITBPO-HAVVHWLPSA-N	541.673	7.130	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)cc2)S(C)(=O)=O)cc1C	100119876	ISNJLJADNJJTTK-KCSSXMTESA-N	563.123	6.094	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	100176650	ZCXHSTGBCBCEIO-KPGMTVGESA-N	619.313	6.409	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Br)cc1	100336346	ZCLCMDSEGCYJON-ODLFYWEKSA-N	603.254	6.495	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1	100860161	AJKHSVFWKPQYSG-RHANQZHGSA-N	540.476	6.272	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	101555337	TZBATZATDOZWFX-MUUNZHRXSA-N	578.521	7.113	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(Cl)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	102808856	ZUDQJPMQHJOUKC-AREMUKBSSA-N	549.052	6.038	50	40	KKGB	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)/C(C#N)=C3/NN=C4CCCCCN43)n2-c2ccccc2)cc1	102906180	QJQWUTDCDZDPRV-VYIQYICTSA-N	525.682	5.421	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104699879	MCRSHPBABJKOSE-NTLHQGLPSA-N	587.167	7.879	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F	104953201	GEJCGJWGEFGZLI-SXGWCWSVSA-N	520.185	7.020	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N)cc(Br)c1OCc1ccc(Br)cc1	105270063	ZIRHIHZHNVASJE-RPPGKUMJSA-N	533.220	5.145	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccccc1F	108008918	AFEBPTKMHRMSQG-VCHYOVAHSA-N	566.452	6.533	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1cccc(F)c1	408549918	BMTXXOULOQIZPU-MSXFZWOLSA-N	549.383	7.625	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1cccc(C(=O)O)c1	408552677	UQSSHCRUFWUDOO-MSXFZWOLSA-N	514.375	6.952	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1OC	408582685	OXFUOMSXZWUOGZ-GIJQJNRQSA-N	519.222	7.416	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cccc(Cl)c1	408598859	KNDMVKDYLVAKDY-NVMNQCDNSA-N	597.621	7.192	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408606047	LDCGRBWSASDSMP-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408726012	OCSDTTRYCFFJES-UNOMPAQXSA-N	541.829	6.634	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(Br)c1OC	408740557	CCTMKVNFVNBMJD-KEIPNQJHSA-N	580.482	7.355	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCc1ccccc1	408747163	JUAAIZICAZPPEK-CVKSISIWSA-N	530.362	5.041	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3cccc(F)c3)cc2Br)ccc1I	408747238	KXIFINSCADFSOI-KKMKTNMSSA-N	613.221	5.553	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)ccc1I	408747774	SUMDMOYAGDCMCI-RPPGKUMJSA-N	609.214	5.103	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3cccc(Br)c3)cc2)cc1	408774895	DJCICRVZPPTOGG-MZJWZYIUSA-N	526.456	5.159	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408789884	SGCMVMQNCPPEEG-VXLYETTFSA-N	604.284	7.066	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408791017	ZYJZRPVJLQVKCC-BUVRLJJBSA-N	541.445	7.298	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)c1	408791901	FAKFGDMJHCOQNS-UDWIEESQSA-N	542.804	6.686	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccccc1Cl	408794082	HKGJJTJTVCUWEB-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408794253	HWYQJLUTCBFCKG-CAOOACKPSA-N	580.693	7.933	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408794263	INNGOIWTGSNKKJ-LZYBPNLTSA-N	672.542	7.594	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccccc1Cl	408794324	IAXHSBIUVRCOQI-CXUHLZMHSA-N	675.091	7.327	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408794479	JGMCUQPNBFDYQT-VXLYETTFSA-N	566.364	5.277	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C	408802589	ZEWWAFJXMVCVDH-RGVLZGJSSA-N	506.356	6.099	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccccc1	408812299	MOWLHFQTIRBPJH-MHIQDMOBSA-N	511.419	6.966	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc2ccccc2c1	408842900	KJZPUCDCGNLRTL-LALXJTNGSA-N	738.651	9.362	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)O	408845185	PHCREZZFHQENBL-XKJRVUDJSA-N	571.442	6.096	50	40	KKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)c1	408848490	WZEHQQZADQWSHE-ATZGPIRCSA-N	584.101	7.165	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cccc(C(F)(F)F)c2)cc1	408862345	GWQMSWAUQGODKO-IZYHBKOJSA-N	659.086	6.030	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408862966	JVEKNZISPXYHSQ-YIMMMDCSSA-N	610.947	5.928	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408876180	NJSXBQXTMVWMBI-MWBNBJEGSA-N	701.039	6.661	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Br)cc1	408878761	ATNYQHAMENNEER-VYYCAZPPSA-N	562.258	5.962	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1Br	408885071	WYRYPXLFFPHUPO-KPKJPENVSA-N	529.026	5.837	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1	408886230	FOSGIRYDMCIIAX-GZTJUZNOSA-N	603.210	5.827	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408886941	KHWSSWDSPMUHBN-OKCVXOCRSA-N	596.275	6.747	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1OCc1ccc(Cl)cc1	408895552	LEBYCLQJLKAGCJ-CCVNUDIWSA-N	531.834	6.161	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408909278	GZJWFVWAJYLURO-FFWFIYGGSA-N	551.474	6.112	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2Br)cc1	408923800	KGSKKRLFMMTZGV-ALQBTCKLSA-N	672.642	6.559	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc(C(C)(C)C)c1O	408925811	TYEVUOFSRLMROD-HNSNBQBZSA-N	565.552	7.412	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(N2CCOCC2)o1)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1	408949136	RZPXYLFOHOWNED-MBTHVWNTSA-N	527.463	5.574	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1cccc(C)c1	408967929	SVBKJCPDUKDSPW-IPPBACCNSA-N	557.363	5.352	50	40	KKGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408971557	IYBMLENESQHCLF-QWXKDJDISA-N	562.881	5.691	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C)c1ccccc1	408977958	GHPKQUZTZYWORP-PUFQGMHOSA-N	508.622	6.089	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c2ccccc2)cc1	408980501	RMGYUTHISDVIGG-ICSRMJQJSA-N	556.471	6.122	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2F)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408996059	NWMDPZHSBXAIDN-ORBVJSQLSA-N	605.085	7.009	50	40	KKGB	
O=C(N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)OCc1ccccc1	409004887	YFIHUKFIEQTUTB-OHCUMCKCSA-N	702.595	5.167	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409006951	LOBVYGDOMRWBIQ-YNFMAFFXSA-N	637.756	6.662	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1	409010599	CPJMCZKYEPSOHD-UQMDAXCXSA-N	625.572	7.284	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	409028134	KLPMMIJGGQGLKU-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
CC(C)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	409046337	KEAQUNKNGSBXRR-VGOFMYFVSA-N	512.629	6.445	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1	409048207	RILISRREETYOHT-LZYBPNLTSA-N	575.188	6.384	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12	409049644	ZJSJRVBFBHZZKP-RPLACLTLSA-N	591.023	5.144	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCc1cccc2ccccc12	409072686	KLSPCXFQINGRMJ-KOEQRZSOSA-N	509.005	7.355	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409079061	JXJRCSYTPHUOAY-RIYZIHGNSA-N	555.818	7.624	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409121099	VXLDOFMRDHSTLF-FDAWAROLSA-N	612.933	6.236	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cccc(Cl)c2)cc1	409125389	FDUYTLBRCXTZAG-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cc(Br)ccc1O	409147505	ZPNBZUJSCSLZGA-NSKAYECMSA-N	711.519	6.360	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409152947	GSZOEKXXQUEAPP-WXMAUWIXSA-N	663.139	6.178	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(F)cc1	409157943	QSCPLUSSYRKSLM-OKCVXOCRSA-N	511.981	5.634	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)cc1	409167270	HSKLXHBIBKLGAA-XAZZYMPDSA-N	699.329	5.502	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)cc2c1	409187623	SPCQMXVTMIGINE-MZFJOGFUSA-N	507.590	6.582	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409191319	VLFJYFVWYRSGDA-PXNMLYILSA-N	571.242	6.151	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccccc3)c2)cc1	409219856	VOQVNVHFSBXJHI-XAJJONJCSA-N	519.557	5.330	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(C)cc4)c(OCC)c3)c2)cc1OCC	409221813	ASSITNZNDWMBBE-UHFFFAOYSA-N	609.679	6.427	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C/c2ccc(Cl)cc2)c1	409224172	JKPRHTIHEOSFMK-YSKMBNSKSA-N	667.343	7.400	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	409232775	PSDWIDYMUYGQSP-PPDIBHTLSA-N	510.190	6.167	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)n1	409244825	JFKCCXXWKYGARK-VFLNYLIXSA-N	708.363	6.277	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1	409252432	RUPREGKAXHPOQK-NSKAYECMSA-N	554.297	5.984	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409257564	TUIUZXPMTITIGG-NVJOKUIPSA-N	565.251	5.854	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409257639	RLUAJNIFCZINSB-UDWIEESQSA-N	613.427	6.009	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)ccc1OCc1ccccc1	409260922	YNBFZUANYCANLH-WBIBEUCMSA-N	616.114	6.725	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	409261947	GGCMMDNAWRJVLO-XJECJHNESA-N	675.008	8.059	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409265130	MVSFUPUSKGTPTN-DQMKJMRDSA-N	538.225	5.527	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)ccc1OC	409304595	SCGHKDYROLFQAK-MBTHVWNTSA-N	572.412	5.506	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OCC	409319950	OAWDYUGNKLMABT-LJUMEUDFSA-N	589.914	7.032	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	409322378	WKJVWGHRURXLRT-FZPRHHONSA-N	565.453	6.933	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)ccc1OCc1ccccc1	409325129	WVGHKZUPBLMCHP-FZPRHHONSA-N	640.449	6.369	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409326790	OFOIXOYAVWNTJO-RTWAWAEBSA-N	568.866	5.155	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1O	409368089	NDKBZMFZCCAKAP-CPDSRJINSA-N	578.518	5.364	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	409371855	AFQUWNZAFVELHY-IPPBACCNSA-N	524.360	6.406	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409387192	UPUIGRRIWDWNOA-UVHMKAGCSA-N	599.419	6.222	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409394928	HQUFALYBOLULDB-UHFFFAOYSA-N	518.960	6.343	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1	409396182	WXJDXLBSJXFNTF-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398965	XDOSGUKWZFIHPE-UHFFFAOYSA-N	753.977	7.501	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3ccccc3)o2)cc1	409403354	MJPCITBRYAYTLL-FZKWRIDDSA-N	554.046	7.262	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1	1529548417	FWZIREQQTZNENA-JKYKOXDNSA-N	734.442	5.815	50	40	KKGB	
Cc1cc(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1CSc1ccc(Br)cc1	691804	CUGRJFOXSPRZLL-OZXSUGGESA-N	529.507	6.952	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@H]1c1ccc(C)o1	1277969	ORGJSWQHYIUSFU-SANMLTNESA-N	582.604	6.322	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(O)c1	1899726	YBEBSZRIRRKPLY-OCSSWDANSA-N	561.733	5.120	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1CSc1nc(C(F)F)cc(C)c1C#N	2090183	VLNIPXMCBVOUFB-IIHBXENTSA-N	582.032	6.881	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc2ccccc2c1Br	3174918	HOUIDZLYQOANCG-DHRITJCHSA-N	520.221	5.683	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(Br)cc1	4196318	MTCVIZAEXUPYBN-YBFXNURJSA-N	556.254	6.653	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1[N+](=O)[O-])N2	6445647	SQGCIXUYPNCNFP-AAKLWPEZSA-N	561.041	5.189	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1	8766539	KQIHYMLPAWUVKD-DYTOPAQESA-N	503.605	7.054	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	8934256	TUWVOJGJMZSGBX-SANMLTNESA-N	515.660	6.016	50	40	KKGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1	9970888	ZAXFHSSNTPYZTL-PFFUAXQRSA-N	524.573	5.111	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@H](C)CC)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	10059561	ZMUIWIXFKQLUSO-HRJIBFCWSA-N	519.554	5.255	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)cc1Cl	12251056	RLJJZDFJVOKOJA-XMMPIXPASA-N	502.039	6.447	50	40	KKGB	
COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)ccc1OCc1c(Cl)cccc1Cl	16282809	KGRSOMYWAXKENA-INIZCTEOSA-N	521.828	6.460	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](NC(=O)Cc2cccs2)C(C)C)cc(OCC)c1OCc1ccccc1Cl	35999822	WIIJPZOOUQEEJQ-RSBFIHLVSA-N	568.139	5.941	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(F)cc4)c3C)cc2)CC1	59647058	ZHHVTYMFFNKUMR-KEIPNQJHSA-N	539.655	5.328	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(F)cc1	97960921	BBZQBALLRZLNSQ-VFLNYLIXSA-N	637.243	6.681	50	40	KKGB	
CC(/C=N/NC(=O)CNc1ccc(C)cc1)=C\c1ccc(/C=C(C)/C=N/NC(=O)CNc2ccc(C)cc2)cc1	100036445	YOJAOIFOIXVWSI-VTQFOICWSA-N	536.680	5.538	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1	100126622	LODRUZGSKHHISS-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1OC	100852205	JEPMOWBWYJGSSS-MZFJOGFUSA-N	557.720	6.190	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc(Cl)c(Cl)c1	100863628	IIGUAEPCSRJAMG-KSEXSDGBSA-N	517.916	6.423	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nn(-c2ccccc2)c(/N=C/c2ccc3c(c2)OCO3)c1C#N	100960451	OHUVXITXCAMGOS-MVLSYVAZSA-N	527.515	6.687	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2OC)=C(C#N)[C@@H]1c1ccccc1Cl	101042291	MOHQLMPHVJJONN-SANMLTNESA-N	560.075	6.117	50	40	KKGB	
CC(C)(C)c1cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1OP(F)(c1ccccc1)(c1ccccc1)N2	104196656	UOYLFBAHGYNHFD-UHFFFAOYSA-N	609.725	10.090	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1	104402972	UWQFFKCDLIPHJJ-OCSSWDANSA-N	580.422	6.195	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)cc1Cl	107776806	CHFIEPMKAXHANS-YBFXNURJSA-N	552.483	7.329	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2OC)ccc1OCc1ccccc1	408538673	BLQJYBPJUMNNHT-CVKSISIWSA-N	571.029	7.878	50	40	KKGB	
COc1cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	408540371	QWLQMGGNUOPXFC-ZXVVBBHZSA-N	504.586	6.707	50	40	KKGB	
COc1cc(COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1	408540990	XADLQKANWYYFBC-MNBJERMJSA-N	500.982	6.271	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408543467	RHTNKVNDDMIOGC-SOFYXZRVSA-N	719.100	7.025	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c(C(=O)OCC)c1C	408546736	OHQUEKWVRYOINC-WOJGMQOQSA-N	536.562	5.605	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c(C#N)c1C	408546991	QBQNPDODOALLDH-GIJQJNRQSA-N	509.990	6.024	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1	408552025	NKTUMCJKWPLAPW-UHBFCERESA-N	506.389	5.857	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	408579689	JPHJHDMWBDZPAR-VXLYETTFSA-N	517.250	8.106	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccccc1	408756915	VEVULZODDVAIFZ-LQKURTRISA-N	536.369	5.796	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(I)cc1	408779442	WVZRFXHSOZXNTN-YVLHZVERSA-N	579.221	6.731	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1c(Cl)cccc1Cl	408785753	YUWIONYRMDVJGU-DHDCSXOGSA-N	597.211	6.870	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1	408788955	NJGDGNZDLNAXEZ-SRZZPIQSSA-N	656.274	6.227	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(I)cc1	408790759	YJETWSPTGRSXEQ-CIAFOILYSA-N	586.857	7.085	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2I)cc1	408797315	QUTPZPLXYQNZEY-YBFXNURJSA-N	528.777	6.378	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408812047	BXHUZCOCPQOIGY-UUYOSTAYSA-N	520.969	5.248	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)cc1	408815804	SFLYYNQJLUOYJI-UUYOSTAYSA-N	568.411	5.419	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)c2cccc(Br)c2)c1Cl	408818751	YULJMRSZRKQGPT-SDNWHVSQSA-N	506.183	7.333	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408829761	QANDTRBSKRAJLC-ALQBTCKLSA-N	581.616	5.938	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)cc1	408833876	WGDNWDYHFBLHIF-RQXXSLPSSA-N	763.736	6.125	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1cccc(C)c1	408837905	APIRWVLIVZKKIA-FMFFXOCNSA-N	535.600	5.938	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408839455	SNBVCCGZSFBXCF-JEPNHJGPSA-N	612.107	7.118	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408841700	GVFMLXQWELFHDA-PTEHHBOZSA-N	701.813	8.859	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408852551	HMJVSQQBUUERHX-VXLYETTFSA-N	503.223	7.798	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	408864728	YSPOQVAPVOALJF-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1C	408877019	SDRDQXWSUFMYIL-AJBULDERSA-N	511.647	5.771	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)cc1	408886023	CUALGOUIDPOCPK-GZTJUZNOSA-N	588.785	5.727	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1	408888494	WBEKHOAOKVRZGQ-XSFVSMFZSA-N	555.008	5.229	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1Br	408890712	YAIORFVISFXEFY-NTUHNPAUSA-N	588.037	5.927	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1Br	408903870	AQBVCERSQQLJOX-MSXFZWOLSA-N	504.226	6.083	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1	408907840	PDXFPZAPZIAEMK-RLBGMPNZSA-N	525.605	5.235	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccc(F)cc1	408924342	MVFXKLFZSCDPAQ-HYARGMPZSA-N	545.408	7.265	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Br)cc1	408925331	RAKLMZKHPXVBEC-CPNJWEJPSA-N	541.423	5.388	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC(=O)Nc1ccccc1	408953893	QIYIXDNFUJDKHE-HMAPJEAMSA-N	587.474	5.612	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c([N+](=O)[O-])c2)c(OC)c1	408956192	PUEDQIYHSZTYTP-KVNFINCSSA-N	730.956	5.318	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408971689	JMQPOMAYSBELFX-FYKGKLKKSA-N	659.397	7.524	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OC(C)C	408972591	PJNYGTLASLZZRG-RUEQZMELSA-N	562.505	5.003	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1cccc(C)c1	408981688	WCSHAZGDCKXMME-UOIYXUTHSA-N	535.644	5.984	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408984474	RKCCCMLCBUYHLW-MFOYZWKCSA-N	652.670	7.048	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(Cl)cc1Cl	409001121	GZWMFVZDOFSLJW-NSKAYECMSA-N	586.067	6.240	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409003795	UYLMLWZUHLGECO-DMNWFQLLSA-N	732.373	5.352	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1C	409011548	GFUTYZXNQHWILX-RULDXTCYSA-N	551.474	5.439	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(I)c1)c1cc2cc(Br)cc(I)c2o1	409018098	XIMUPXQCAXUODA-KKMKTNMSSA-N	701.096	6.747	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2cccc(C)c2C)cc1	409026632	VAXNUPDMXBEXEA-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409044524	GVBOJSGVTYNFKU-FZKWRIDDSA-N	625.479	7.314	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409128836	KZXFVSNZBJMYEB-STBIYBPSSA-N	506.027	5.456	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	409145912	SLJCCRYVVHKABH-QFIPXVFZSA-N	553.210	5.586	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1	409223121	GNQUKLONQGAOJJ-MNBJERMJSA-N	552.543	5.147	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409226437	WEPDBUOYIPECRH-UHFFFAOYSA-N	641.633	5.075	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2Cl)c1	409227470	YZFPFDNHADLDLN-UHFFFAOYSA-N	690.175	7.754	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2Br)cc1	409229407	ONQNZFXAQFOLJD-KQWNVCNZSA-N	532.438	5.431	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1	409237498	UVWCDDFGFRQXRT-WCEBZYJUSA-N	509.375	5.960	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409261566	DSUSOMMWRAFPCS-RQZCQDPDSA-N	619.818	5.964	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)cc1	409266480	XCQJPNGSRAYZFE-PPDIBHTLSA-N	535.225	5.846	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1OC	409310663	CDTOLAKZQQYVAY-NUJZUDFISA-N	594.275	6.491	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Cl)c2)ccc1OCc1ccccc1	409311497	GKADTARHIHMSEZ-IDWIKUEFSA-N	565.069	7.814	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)ccc1OCc1ccccc1	409311572	AVGKEIRPQOLSOM-HQDYHJHZSA-N	652.383	7.841	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)ccc1OCc1ccccc1	409327202	RFZPRVILQZCTAU-BJUCDSOZSA-N	569.872	7.577	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OCC	409334835	NGAPKAVXFYZNEA-UHBFCERESA-N	559.432	6.127	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1cccc(C)c1	409371621	FLQMSLQHAAKIGV-DICXZTSXSA-N	526.387	5.336	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409372225	FZSCCDWQTQJCIU-VWJSQJICSA-N	557.861	7.550	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409378993	UAULBAZGMRHBPD-QMRORBIVSA-N	674.552	7.245	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409384165	BPXVDRCZNGIPRZ-VHFSBPNMSA-N	644.128	7.526	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)cc1	409394890	HDEKKGWZGGZBLE-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409395871	SQHADBTUJDXQOH-UHFFFAOYSA-N	759.810	8.161	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)cc1	409396051	VTSJUQLDUCINDM-UHFFFAOYSA-N	683.759	8.444	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccco1	409397052	FPDZWNKCZCWSFX-UHFFFAOYSA-N	528.362	6.174	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccccc1Cl	409397669	MOOMTHJCZQJUPX-UHFFFAOYSA-N	511.940	6.611	50	40	KKGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409399991	ATFYGJFQVHHPLE-LQNQUEJISA-N	595.437	6.199	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4F)c(Br)c3)o2)cc1	409400229	CDGRTRDZVNNUJA-AEUUOICLSA-N	616.487	7.511	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1Oc1ccc([N+](=O)[O-])cn1	409406417	WQJXMSQSOIMTDU-BYDMSBDESA-N	694.926	7.550	50	40	KKGB	
C#CCOc1c(CC=C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409406460	WVFAVQAHVFAGHT-UCMJSZAQSA-N	537.616	5.779	50	40	KKGB	
FC(F)(F)[C@@H](Br)COC(OC[C@@H](Br)C(F)(F)F)OC[C@@H](Br)C(F)(F)F	1083809836	QPNVUMCCCJDWGE-PBXRRBTRSA-N	588.881	5.297	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N2)cc1	2310292	MNSFLQYJLQLYTC-DEOSSOPVSA-N	512.031	5.368	50	40	KKGB	
N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2-c2c(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc([N+](=O)[O-])cc21	2564972	RJTYMHYWNHPNSS-UHFFFAOYSA-N	594.302	5.957	50	40	KKGB	
Cc1ccc(N/C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(/C#N)c2nc3ccccc3s2)cc1	3221539	QLNKQOXWQUJFKN-HKOYGPOVSA-N	559.038	7.953	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1ccc(Cl)c(Cl)c1	8451174	JUVYOTXFKKPCIA-HSZRJFAPSA-N	555.487	5.946	50	40	KKGB	
CCOc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(SC)cc3)C3=C2C[C@@H](c2ccccc2)CC3=O)c([N+](=O)[O-])c1	8456010	DWDJYCSLUMMHKX-ONOMSOESSA-N	552.656	6.414	50	40	KKGB	
CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccccc3)C2=O)cc1	12273768	KBTQMVAYQUBJLW-BUPOLARFSA-N	509.675	5.814	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)c1ccc(N2CCOCC2)cc1	15912590	JSLKABHCHGOXPD-XBQJKBNESA-N	526.640	6.559	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	19950201	BSTURCNGKAIPHM-UHFFFAOYSA-N	504.096	6.312	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1	20233047	VXQCCJHXVVINFX-MWAVMZGNSA-N	501.583	5.375	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Cc3sc(C(=O)OCC)c(C)c3C#N)o2)cc1	33732156	HPYVRANQTLJNSB-XDHOZWIPSA-N	502.548	5.260	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	59332935	NMQXBICQWHUGBM-CLCOLTQESA-N	505.578	5.162	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1OCc1ccccc1Cl	59483252	IWFBOVBFXTUVKP-WKULSOCRSA-N	518.828	6.485	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccccc2)cc1	59884565	BTMIIRZZXXSFHR-FMFFXOCNSA-N	621.115	5.102	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CC(C)(C)C2	98007241	NIGBJKMTIJAWEQ-HSZRJFAPSA-N	545.738	5.782	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1Oc1cnn(-c2ccccc2)c(=O)c1Cl	98046124	SBZFREDIMFHSHO-QFIPXVFZSA-N	595.837	5.264	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1	100104580	KVPHLZZPDDVDRM-FDAWAROLSA-N	536.028	5.947	50	40	KKGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	100132323	NVDSJORBMRRLSQ-ZMGVVAQMSA-N	613.523	5.683	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	100330374	FRGYBWKHTFGXFO-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1	100834057	GOKQEPXAOWYZSZ-RWPZCVJISA-N	544.077	5.372	50	40	KKGB	
CC(C)(C)c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)o1	101751052	QCACYBIHOWIKPY-SXOMAYOGSA-N	574.685	5.377	50	40	KKGB	
O=C(c1ccccc1)[C@@H](/N=N/c1ccc(Br)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102930005	DVAFBGPEUPQUNL-YDITXDTKSA-N	564.443	7.736	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)ccc1I	103789554	FNWJJRAKOYWMTP-HAVVHWLPSA-N	550.444	5.263	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C)cc1	103889870	AHRJDGDGLAKFFL-ZDLGFXPLSA-N	546.248	7.198	50	40	KKGB	
CC[C@H](Cl)CO[P@@](=O)(C[C@H](Cl)CC)O[C@@H](C)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161179	UPLZNVXNBIYZMG-JBRFSAMOSA-N	552.240	7.855	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	150385655	NSGFZWBTQQCGIB-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
CCCCC[C@@H](Br)[C@@H](Br)C[C@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)CCCCC(=O)O	150387353	FORAJHFPTGBBRG-IFTGGNMHSA-N	757.860	8.573	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795324	SVRSPLNTOMLROL-DTORHVGOSA-N	716.073	8.990	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795431	NAMXYIYFDXSAPT-HOTGVXAUSA-N	814.262	11.721	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	209605787	QMWDIHDZGMBQGG-BCHBDCPOSA-N	665.096	6.854	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br	408539524	IESIQMGYAHWLEK-MYYYXRDXSA-N	555.267	6.623	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccccc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408553956	XQRFBOMDSCLBOL-BCHBDCPOSA-N	511.192	6.082	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554249	QZHVMIQFWMZJOA-NVNXTCNLSA-N	609.691	6.981	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1cccc(C)c1	408555111	VPFCBOPCQDWLGF-RGVLZGJSSA-N	562.489	6.703	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1	408570961	ZVMBTFLHYRUSQQ-OPEKNORGSA-N	538.434	6.169	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1	408580763	RQPWWJYUQFTBTB-OQLLNIDSSA-N	632.555	7.459	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Cl)c3)CC2=O)cc1	408605994	KQKREVMFIGTPQU-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)c1	408744142	JHUVHLXXCFESOU-JMIUGGIZSA-N	506.787	6.407	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C#N	408744406	FJCJICBKFGKSDE-GRSHGNNSSA-N	522.786	6.107	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1	408748227	AKKPNYJHRVNSHR-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1	408754904	PBEKOASACKQCHM-XICOUIIWSA-N	573.734	6.486	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1cccc(Br)c1	408756499	VTFOUBHHRDSFJQ-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1I	408759794	LRXAAHPEIKZNNI-NDENLUEZSA-N	688.157	8.094	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1	408790166	ULXSDSOBQYHPOJ-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccccc3)cc2Br)cc1	408790748	YEVIGSLWHGRSSH-HYARGMPZSA-N	549.421	6.149	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I	408792416	JXJKZCAIPJNUSM-KPKJPENVSA-N	531.575	5.651	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Br)cc1	408793836	GVRGBEWQJKFBHK-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)c1	408793944	HEKLALDVJOAGRM-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408794071	HTOYRPDHSORRTG-RGVLZGJSSA-N	574.302	7.896	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408803462	PELUBXIRSYSODJ-RQZCQDPDSA-N	512.747	6.135	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1c(C)ccc2ccccc12	408810350	PHKLELQMTJQURZ-HZHRSRAPSA-N	511.419	7.344	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1cc2ccccc2o1	408818273	PHNAALJQZHOOJH-PPDIBHTLSA-N	640.190	6.124	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccccc1	408826702	CLACEHWIINPGGI-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Br)cc4)cc3)cc2Cl)c1	408836256	ZTBBWIWFUXNUII-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408841630	FWSXZRVLPSMWSH-KVAAJVFYSA-N	662.949	7.561	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1cccc2ccccc12	408851418	YZDOIOCELNAISQ-FYJGNVAPSA-N	578.381	6.717	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1	408857210	NGGRNZSTORPNOL-ACXHZZMFSA-N	567.867	7.319	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccc(C)c(Cl)c2)cc1	408863012	KGXVVASNBHUFBW-MUFRIFMGSA-N	567.023	5.471	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1Cc1ccccc1Cl	408867704	LMVYRCIENJBKLZ-CIAFOILYSA-N	570.858	7.097	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl	408871409	ZLBYXQPHZCQCAE-VYYCAZPPSA-N	501.808	6.153	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)c(OC)c1	408873508	VBENFPMZRWHXPL-DJKKODMXSA-N	698.270	5.854	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1Br	408876124	NFMOQOFYLAZSTC-LZYBPNLTSA-N	536.220	5.017	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1cccc(F)c1	408879611	FNCIPXZDXNTYPM-HBHSWBPBSA-N	651.480	7.478	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OCc1ccccc1Cl	408880499	KFPPUBRNCVIPBZ-WOJGMQOQSA-N	684.699	7.073	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OC(=O)c1ccccc1	408886393	GSSIXEWZZFQTCI-XDHOZWIPSA-N	535.350	5.311	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1Br	408886936	KGBWPQODDXLXRO-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(Br)c1	408887925	SDDRZAMHFSWUMP-SFQUDFHCSA-N	619.107	7.047	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1Br	408889472	HGDCOYOEEYKRMP-UDWIEESQSA-N	617.281	6.886	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2OC)cc1	408899155	ZMTRVSXMFJUWEZ-XZYGTATASA-N	686.587	6.911	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925710	SZPUHLPFQVWFKO-MHWRWJLKSA-N	639.311	6.036	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408939561	AYKQGBVRDDYIID-MHZLTWQESA-N	761.449	5.584	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2cccc3ccccc23)c2ccccc12	408949392	QVQFVRTYMDHTBI-PGUFJCEWSA-N	645.785	6.036	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408969699	SDVKMSFDAJVGKZ-RDOOXSMOSA-N	607.332	5.800	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408971001	FQIQAUIUDHIGTA-HYADQRRBSA-N	521.489	5.288	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1	408972746	WFHINQNQYOTABT-UHUJLWRMSA-N	611.545	6.892	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O	408972941	XDHFXSQJIXODNU-RLDVSCBWSA-N	609.304	5.115	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408974405	YTQNZXOBHCJSBZ-XJESCPFFSA-N	645.392	6.159	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCc1ccccc1Cl	409021875	CVDKTKOEUAQNJR-ACXHZZMFSA-N	523.416	7.210	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409026804	YTBKFVCGUTZBJL-ALQBTCKLSA-N	629.953	6.635	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc(Br)cc2OC)cc1	409030433	DIWGVYYTANMYBC-ZSNJKBEMSA-N	638.518	7.193	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1	409044955	DUGUNFYVMPGAHX-LICLKQGHSA-N	560.217	6.484	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409063504	LWPWRUSTZUXKDY-HZHRSRAPSA-N	541.608	5.621	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Cl	409064063	FZGKWYCASABZFA-XNTDXEJSSA-N	596.684	6.178	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409085337	OFNCQNRDYIGKGJ-RIYZIHGNSA-N	552.292	7.267	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409090847	QRCQDAVRTCFSAX-PPDIBHTLSA-N	522.226	6.416	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccccc1F	409105718	KEOGLUXEYCWQKY-DEOSSOPVSA-N	586.357	5.355	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccccc2)cc1OC	409119833	RBMHAWWFLUEUEU-UHFFFAOYSA-N	529.703	5.676	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(Br)cc1	409123308	GBPNEYFZZKXVMF-JOCHJYFZSA-N	560.242	5.614	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409178994	OQLDICOWFIUCMB-IBBHUPRXSA-N	527.835	7.080	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409219946	RYSKAVHQBPYQOU-LDADJPATSA-N	543.929	6.321	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409225902	SLWBWCGVHQBRJW-CPDSRJINSA-N	546.838	6.615	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1OCC	409227274	XRYBEEMCFQNPOI-OJYCWLPVSA-N	600.071	6.681	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)NCCCc1ccccc1	409230516	DZYBAYIOZDQQCA-JCMHNJIXSA-N	601.282	6.289	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	409255761	ZOLYYKGGQMQAKY-MLPAPPSSSA-N	531.712	5.609	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OCC	409316003	WZBZXXUUQSYTRQ-MWLSYYOVSA-N	501.410	6.524	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409320146	BZPLLFIPOPQELC-OHUYPAJKSA-N	720.969	6.463	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OC	409320698	CKUDRMNNVFHDFT-MUXKCCDJSA-N	503.382	5.752	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCc3ccc4ccccc4c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409322903	LXPPFZOQDNHILJ-BJKOFHAPSA-N	507.011	5.563	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC	409326316	JVFKMMGWJUEUCJ-FTCYSYDXSA-N	661.225	7.102	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409331156	FIKCWXFAVZTXOK-CNCDYAKUSA-N	685.393	6.747	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409337221	XIBPZQDCYKYSKC-RTWAWAEBSA-N	627.344	5.573	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)ccc1OCc1ccccc1	409363183	KCSOSZFDXCFVGH-HQDYHJHZSA-N	620.475	6.347	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1	409373907	WGBBQVVJTZCWRT-IBBHUPRXSA-N	548.824	6.479	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2OC)cc1	409377751	JQGCJAXDSZBAHU-KULFSUQXSA-N	676.582	7.659	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(F)cc1	409385982	MXYUYKQYTJLJJT-KKMKTNMSSA-N	558.385	6.063	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1	409395024	IXUBBMBVGIHSHF-UHFFFAOYSA-N	581.470	6.647	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409395227	LFSSOVYWBUGLRV-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397599	LQVVGQRXIPOXMW-UHFFFAOYSA-N	614.054	6.506	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl	409400454	DFMPTJYZWJYVNM-AEVGBRMKSA-N	677.541	8.223	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)cc3)o2)cc1	409402961	LMPYHHRRKJCNCE-FZKWRIDDSA-N	537.591	6.748	50	40	KKGB	
CC(C)(C)[Si](C)(C)Oc1cc(O)ccc1C(=S)[C@]1(n2ccc(O)nc2=O)O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1=O	1569971907	OLCCPFOGJAIUTI-XCHPQAQBSA-N	734.947	7.476	50	40	KKGB	
COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCC[C@@H](C(=O)O)S(=O)(=O)O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2	1777699055	GQSPYHXXAXFCRB-PEUUSJRBSA-N	978.602	5.186	50	40	KKGB	
COc1ccc([C@H](N[S@](=O)C(C)(C)C)c2cc(OC)c(OC)cc2P(c2ccccc2)c2ccccc2)cc1	1857795030	HTFPPZYPDKBJEA-RUCSKDCOSA-N	561.684	5.612	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)N(CC)CC)=C(C#N)[C@H]1c1ccccc1Cl	2202816	LPBIDTXPVSNZMP-HSZRJFAPSA-N	510.059	5.338	50	40	KKGB	
Cc1ccc(S(=O)(=O)n2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc32)cc1	2801630	CVKCUDPHXVWBNS-SFQUDFHCSA-N	520.954	5.294	50	40	KKGB	
COc1ccc(/C=C\C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1	10109857	OWPXBPQHVONNSF-KAVFEPAKSA-N	506.558	5.510	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl	13922606	FIFZEKBGRGABCA-LUOAPIJWSA-N	511.192	5.968	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	32101816	RUJCJBLKMBPPCT-FYJGNVAPSA-N	518.386	5.914	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(I)cc1	97980645	IQYRTDGJCNRFPZ-BOPFTXTBSA-N	535.307	6.263	50	40	KKGB	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1	97982938	PKJXGMKTJQLBLE-OQLLNIDSSA-N	516.362	5.069	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(Cl)cc3Cl)=C(C)N2)sc2c1CCCC2	98048629	IUWZZWDSGQHWBG-SANMLTNESA-N	671.628	7.410	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1	100122771	GQEMAOYUFWAZKZ-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1cc(Cl)ccc1Cl	100130885	XLHFABRCTWWWTP-KBKYJPHKSA-N	525.299	6.547	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1	100217435	ZGGKILLWGQPHED-PGMHBOJBSA-N	550.011	6.009	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100991295	ZLSQOXLCMFPOJH-FYAMCCBRSA-N	532.463	6.131	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)cc1Cl	102537199	NBQVXQUCZFMGQT-SSEXGKCCSA-N	570.114	7.869	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1cccs1	102719473	ZESCJUZFSVVCBQ-SANMLTNESA-N	530.675	5.141	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCc1ccc2ccccc2c1	103857935	AECHELYDYQEVFC-JFLMPSFJSA-N	556.425	6.248	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Br)cc1	103889801	ZAOJGAPJUXVKNR-SXGWCWSVSA-N	566.666	7.543	50	40	KKGB	
CCCCCCCCCCCCNNC(=O)[C@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2[C@@H](O)[C@@H]1CO)OCO3	104124838	RIGXOJYTTTVIFJ-CSKAWGDSSA-N	614.780	5.386	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)cc1C	104696678	HDFNIWMRTRPODY-VTPIHIAFSA-N	536.701	6.249	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCc1c(Cl)cccc1Cl	105187020	YVIPKELXTYDNAJ-OQLLNIDSSA-N	532.767	6.688	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cccc(Cl)c1	150398857	SXRJHNUATARQEW-BRJLIKDPSA-N	616.624	5.892	50	40	KKGB	
CC(C)[Si](OC1=C(c2ccccc2)[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCC1)(C(C)C)C(C)C	195516992	IRPIUZBTCRUAMV-KLIIMXHUSA-N	520.746	7.880	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408541599	GUGHYQQIDAATJZ-ZDLGFXPLSA-N	558.759	5.767	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(-c3ccccc3)[nH]c3ccccc23)c(C(=O)OCC)c1C	408546649	LDFKPPUDCSFUBN-HMMYKYKNSA-N	526.614	6.277	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550606	FOHZTOSCOJJEIE-ZDLGFXPLSA-N	558.849	6.917	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553009	UEINKCIGROWQRI-OVCLIPMQSA-N	636.298	7.298	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553364	YCJKHTMIHRJTSA-VCHYOVAHSA-N	536.426	6.525	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1	408554263	RDBNXNZVDPVZBY-MHWRWJLKSA-N	500.769	6.210	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OC	408583032	RDVNVZALXRZHML-LICLKQGHSA-N	520.390	5.851	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCc1ccccc1	408589858	NFEZVOZNVWRCQZ-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(Cl)c1OCc1ccccc1Cl	408602360	DDTXVGJXXLMODK-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	408605937	ZKDZUBXTTAYSGX-MNDYBZJGSA-N	516.985	7.370	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OCc1ccc(Cl)c(Cl)c1	408608339	PDIIRZNPKYULPK-MRXNPFEDSA-N	534.827	5.731	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O	408639629	GCWIYXDNROAIIR-OUTQORHZSA-N	557.861	5.284	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@H](Br)c2ccccc2)c1)c1ccc(Br)cc1	408687091	UFGATKUNLQQUSA-VPUSJEBWSA-N	607.298	7.246	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	408723390	UVFGYXAMBAPUFA-VUXZUVEHSA-N	562.025	5.315	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc2-c2ccc3ccccc3c2)cc1	408724243	ITHBYFPSPWVMSI-GOJREDGKSA-N	536.635	7.344	50	40	KKGB	
Cc1ccc(OC/C(=N\NC(=O)[C@]2(C)NC(C)(C)Cc3ccccc32)c2ccc(Br)cc2)cc1	408734077	HZHWVZNBKHKYFB-VBBMGMQESA-N	520.471	5.497	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1cccc2ccccc12	408745173	PTJVNWODMQKHOJ-UCQKPKSFSA-N	527.418	7.044	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745267	KZAHMGZKBMZKIV-PXNMLYILSA-N	564.636	7.129	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1	408746065	WYXBPKMHQLWHRJ-ZDLGFXPLSA-N	591.218	6.626	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)cc1	408746865	WXDDZFCRWZSQKR-NDENLUEZSA-N	554.384	5.742	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)cc1Cl	408752141	GCFDBBJUFHXKPG-YVLHZVERSA-N	512.791	5.842	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccc(Br)cc1	408757843	DADMDSDZIOHXPB-RPPGKUMJSA-N	521.198	5.537	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(I)cc1	408791360	WOJJEMAVLMQGAT-VXLYETTFSA-N	698.726	7.381	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)c1	408793065	DAIRZBLTDALADS-VXLYETTFSA-N	652.245	6.776	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1C#N	408794029	HEVWFOZBNQKXNZ-SSDVNMTOSA-N	516.395	6.071	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1	408797754	SVDAAAJMKVHQEM-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)cc1	408805249	FJDUPPSTVIOWEO-RGVLZGJSSA-N	572.830	6.640	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1Cl	408809097	HWHHVPYXCQJUFI-UCQKPKSFSA-N	551.868	6.642	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccccc1F	408814106	QBDQUOTUNMLVSI-CHHVJCJISA-N	646.081	7.624	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2I)c1	408818067	OVTNOXVENCHBKO-ZDLGFXPLSA-N	638.218	6.468	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1	408818297	NOUKORFPXCQOPS-OCKHKDLRSA-N	668.244	5.846	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	408822893	CKOXELFASHNYAZ-KGENOOAVSA-N	610.302	6.747	50	40	KKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408824026	GOPPQSFCYBXUDU-DEDYPNTBSA-N	555.856	7.025	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408825895	KAKULOHJANESCJ-HZHRSRAPSA-N	574.420	7.605	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1C	408838090	BZZZWHCYQPRTFM-VTNSRFBWSA-N	540.092	7.687	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1	408849643	ZRUPAFHRWPYBRN-FABQOPTDSA-N	662.493	5.719	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408855341	CLTMWIXJMIKAHZ-OKCVXOCRSA-N	551.068	5.168	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1ccc(C)cc1	408865115	AZKWZVRKEXBWNB-OEAKJJBVSA-N	566.439	6.685	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408869762	RGWHZYXDXCOQAQ-VCHYOVAHSA-N	564.199	7.367	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3cc(C)cc(C)c3)c(OCC)c2)cc1	408871285	YHGOQVWGWHPGDO-ZVHZXABRSA-N	517.025	6.669	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	408875349	DRVWZEUJVQBYIG-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2I)cc1	408883189	RVRSFFXFCVJWCB-RQZCQDPDSA-N	689.118	7.636	50	40	KKGB	
Cc1c(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	408884995	WIZXMZOHAPCGLV-XICOUIIWSA-N	644.153	5.062	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1	408896462	NSJNJLRPPMZLOY-LZYBPNLTSA-N	624.218	6.639	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OCc1ccccc1Cl	408898467	LPDHGWUPXMCVRV-VXLYETTFSA-N	617.827	6.685	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1C	408922599	FJCUBSAGINRCDH-XODNFHPESA-N	583.253	6.648	50	40	KKGB	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1c(Br)cc(C)cc1Br	408924719	NVYKIZNEWFEFIQ-NTUHNPAUSA-N	510.182	5.092	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)c(OC)c1	408956561	RHQLNFZLSNJYEP-VVYBVRPNSA-N	764.855	6.173	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1	408958021	XEFZEXXQKPMQJJ-ZAROQNEASA-N	529.571	5.101	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1C#N	408969383	MYJFAGMFIPYMHI-SKLCVJKWSA-N	621.532	5.277	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408969856	VPQZXJUDLOAOMN-ZJIJNHNSSA-N	722.404	5.387	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408971086	LVCYGCHSWFUAMR-AMUKHSJYSA-N	624.952	6.871	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1cccc(F)c1	408982587	ICDHVDOMTABWND-NVMNQCDNSA-N	529.793	6.683	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C(\C#N)C(=O)n5nc(C)cc5C)cc4[N+](=O)[O-])sc3c2)cc1	408988318	DFJKXTGENBTDKV-LPYMAVHISA-N	594.678	6.977	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	409011528	FZOJDDXKTDFKCE-YGHSGTSHSA-N	617.327	5.413	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)C(=O)Nc1ccc(Cl)cc1	409043100	PUGVAASZMLXVNR-CXUHLZMHSA-N	564.636	7.129	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	409069953	YRSFISNZGOPROU-XNTDXEJSSA-N	507.782	5.960	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409073284	GSLYQVVTFXWGGE-LTGZKZEYSA-N	553.036	5.789	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccccc1	409097931	OIYNBWLLSNXMFO-VWLOTQADSA-N	521.367	5.374	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409141042	TWFGGDDVSGGLHV-MUFRIFMGSA-N	567.023	5.471	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl	409156194	MSNXBGBHASHENP-PNQUVVCRSA-N	622.303	5.488	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccc(Br)cc1	409167726	JMRXAVNCVDWAMK-HNSNBQBZSA-N	657.403	7.177	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4cccc5ccccc45)c(OCC)c3)cc2c1	409187226	NRVYOXDUWQMRQQ-OHUYPAJKSA-N	634.470	7.331	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409214714	YABRZDOOQUVKGU-AMVVHIIESA-N	549.907	7.205	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1	409259787	FIYGQWXSXGWZID-FABQOPTDSA-N	612.111	6.997	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409263014	LCANPAGXGOXLQX-LDADJPATSA-N	510.377	5.955	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)ccc1OCc1ccccc1	409267695	VVKDZKSWQKWHBP-VHFSBPNMSA-N	620.533	7.369	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Br)c(C)c1	409268429	TUGXIKDFZYBOPX-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1OCC	409324522	UQBAQSVRHKEQIE-MNDYBZJGSA-N	608.302	6.881	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	409336621	QMPANNBBKSZMEM-RMORIDSASA-N	550.232	5.361	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	409373930	WJVBWJVIWLCSRP-IPPBACCNSA-N	613.262	6.625	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409385161	IELZXMCFEFUEET-RPPGKUMJSA-N	575.359	5.896	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409386770	RVYXSEAFELFNIV-RWPZCVJISA-N	546.561	5.798	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cccc(F)c1	409389495	BMNRLVIRRMSRNL-IDUWFGFVSA-N	532.163	6.902	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OCc1ccccc1Cl	409390536	FADPYYDLRBXHJW-IBBHUPRXSA-N	599.856	6.248	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)c1	409395330	MIBWFSUGXKZVNV-UHFFFAOYSA-N	757.220	8.256	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1OCC	409395443	NOXXOQDQPWKXRC-UHFFFAOYSA-N	739.848	8.794	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccco1	409395929	UBYUHAMKAUJJFP-UHFFFAOYSA-N	580.797	6.966	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(OC)cc4c3-c3ccccc3)cc2OCC)cc1OCC	409396124	BUOGPTYFEXKCFV-UHFFFAOYSA-N	621.690	7.023	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)cc1	409396246	XGTXMVKUIBDWQL-UHFFFAOYSA-N	659.378	8.268	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396610	YVPLSKNNAFGZIB-UHFFFAOYSA-N	619.674	6.713	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397254	HXZZLENWVSNMIG-UHFFFAOYSA-N	531.612	6.834	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409398972	XGFMRVCMYWUEQU-UHFFFAOYSA-N	602.090	8.332	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409404522	QCWKQVRHEPFUBQ-GZOMZLSJSA-N	703.565	7.348	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1	1790474	SCSASIUWLRRGOO-YMGIJWJESA-N	552.881	5.845	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1	1822317	MDDLBJWAUCOOMQ-FDAWAROLSA-N	543.693	5.800	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1	3144776	FEUZPPUNLLONKR-UVHMKAGCSA-N	554.323	6.463	50	40	KKGB	
COc1cccc(N/C(SCC(=O)NN(c2ccccc2)c2ccccc2)=C(/C#N)c2nc3ccccc3s2)c1	3271097	OHWPVLPFOKWQJW-URGPHPNLSA-N	563.708	7.212	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc4ccccc4c3)c2-c2ccccc2)cc1	4064258	WUKNXCYMZMUVQN-XPGZBYHPSA-N	563.657	7.905	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	4106948	WXPXWFHMCIIGSA-HNSNBQBZSA-N	547.571	6.321	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	9088915	OEWMGCIULXSMPJ-XMMPIXPASA-N	508.043	5.786	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl	59485185	KBVKBCJZDZKDPS-ODLFYWEKSA-N	513.775	7.053	50	40	KKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)OC(=O)CCCCCCC/C=C/CCCCCCCC	86020559	OCNZHGHKKQOQCZ-YAFCTCPESA-N	546.921	12.131	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)c(Br)c(Br)c1O	97959064	KNMKNUSKXZMTQH-ASKFPKHRSA-N	650.755	5.566	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1	97960706	NRSFFWCCTBDVTL-SZXQPVLSSA-N	544.054	8.409	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1	97960771	FMAKUMDEHXIAII-YVLHZVERSA-N	546.646	6.990	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2c(Cl)cccc2Cl)Cc2ccc(Cl)cc2)cc1	97972274	ZXJFKVBBRYWQOE-WKIKZPBSSA-N	524.857	5.296	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)c(Br)cc1OCc1ccc(Cl)cc1Cl	98023344	VECCMXGGXCDTAM-GIJQJNRQSA-N	595.284	7.047	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	100122936	JAGQPLCOVIXMST-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)cc1	100126645	IMVHGEHEIHEFSQ-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	101562641	KTAXQOIUNWTDSB-AREMUKBSSA-N	544.076	5.786	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	102808807	FYJBYBQOOSJEAM-HHHXNRCGSA-N	529.065	6.355	50	40	KKGB	
Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)cc2)c1	103042603	XAPVHYUEIFMSMI-UHFFFAOYSA-N	581.115	6.092	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	112255009	HLVXIFWXKAFHRS-VPBLMEEESA-N	605.050	5.452	50	40	KKGB	
C[C@H](Cl)C(=O)Nc1ccc(C2(c3ccc(NC(=O)[C@H](C)Cl)cc3)c3ccccc3-c3ccccc32)cc1	113481894	FGCLSABFJGZVSV-PMACEKPBSA-N	529.467	7.181	50	40	KKGB	
CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341761	LTXUJLIAJJNKBD-INIZCTEOSA-N	1020.420	15.457	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342266	NQNZCIYTBKRZFR-REOHCLBHSA-N	842.037	10.293	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	150350148	HQXASCXQCXDNRT-KVSWJAHQSA-N	700.134	6.029	50	40	KKGB	
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3C[C@H](OC(=O)Cc3ccc(N(CCCl)CCCl)cc3)[C@@]21C	150361391	YHPXZUQZLHUBSP-KVVZCWIOSA-N	908.876	10.633	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	162504888	YCGIVEUJJGQPBG-JEPNHJGPSA-N	652.169	5.989	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(Br)cc1	408529439	JPNHQDQUVFABNA-MFOYZWKCSA-N	582.517	8.271	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Br	408539992	LLZHUBGTQXTCID-UCMJSZAQSA-N	646.420	8.302	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=N\NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	408540312	PWHZPRLTQCKRCL-KMUKQRDJSA-N	548.561	7.026	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)O)c1	408544880	YFLVYAANSJHNAE-ZDLGFXPLSA-N	522.311	5.180	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)c(C#N)c1C	408546343	HJOWIHOGIGPLCE-CIAFOILYSA-N	559.600	5.710	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408570362	UHICQVYKZZIJDV-IPPBACCNSA-N	563.528	6.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OS(=O)(=O)c1ccccc1	408581183	HHTWSEBYDCIMJF-XDHOZWIPSA-N	544.423	5.697	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408587601	SHFYNKCOEYYPNI-UUYOSTAYSA-N	553.283	8.951	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1	408612378	VDBGVBOJSSAXFN-IPPBACCNSA-N	516.356	5.365	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408639354	FPNQAYJXFYZRCV-YVSFHVDLSA-N	651.566	5.809	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	408658099	UVJJDJYXRKYSQZ-BFNJWEDLSA-N	654.506	6.378	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408672896	PANZOLCSBXEYDC-BQAIHONLSA-N	574.313	5.346	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(F)cc1	408710826	NLJUWRDXGFKWRZ-OPEKNORGSA-N	645.166	5.286	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	408710901	VPQYOLJRVPKIDF-VFLNYLIXSA-N	545.264	6.840	50	40	KKGB	
CCCCCCCCCOC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)OCCCCCCCCC)cc2)cc1	408719425	DLUMIIISTKCWDV-UHFFFAOYSA-N	627.027	9.042	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408725145	HNIAVAJKTGOBAF-MFOYZWKCSA-N	579.221	6.731	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)ccc1I	408746525	DZYUUOLVDLSQSX-NUGSKGIGSA-N	560.131	5.539	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(I)c2)cc1	408746994	XSMBSRHHFJTKAN-JCMHNJIXSA-N	560.391	6.578	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl	408752747	JWRHLKVJXYIPLW-NTEUORMPSA-N	597.230	5.977	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3I)cc2)cc1	408755617	WCWXJVCMHVQWHP-RGEXLXHISA-N	537.357	5.163	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1	408763810	OZDVJFMFOJUBLI-JVWAILMASA-N	539.407	5.143	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccc(I)cc1	408765018	VWXIQFBTXBIYKV-ATVHPVEESA-N	528.733	5.709	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1)NCc1ccccc1	408773687	SXSUTGIPSFYULS-HNSNBQBZSA-N	544.076	6.091	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O	408776861	RHSCEWNXUBQVEV-MUFRIFMGSA-N	539.963	5.109	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1cccc(F)c1	408794141	HOSPBJSAXZJSCI-UDWIEESQSA-N	553.384	5.898	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408794866	TXYGJRFNGFACMF-LZYBPNLTSA-N	638.643	6.740	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1ccc(Br)cc1	408796469	OWWVOQDJBOZDRR-QGOAFFKASA-N	559.201	6.178	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408816375	LIKUMDCLQGKBHH-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1cccc2ccccc12	408821313	GBANVRYYTUZIJJ-MTDXEUNCSA-N	714.987	9.200	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408837513	HNTGZOKLDZJJGZ-ALQBTCKLSA-N	650.595	6.308	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC	408839308	QLUCXDMCDZQJPU-HNSNBQBZSA-N	567.598	5.256	50	40	KKGB	
Cc1c(Br)c(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(Br)cc1	408851595	DDCPYWKHWPZMDK-GATIEOLUSA-N	578.355	6.471	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2cccc(Cl)c2C)cc1	408858146	MTVLXTSZXMBDMR-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408858776	PMOIIWGJAOMMRU-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408859136	TXMBPZLWUCHTAO-TUYTUYLVSA-N	589.932	5.953	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408863525	SOANSOJRQNUNLF-JBASAIQMSA-N	553.750	5.863	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408863817	QIHGNXPMOKISGS-YSYOEVFLSA-N	724.983	7.363	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(Cl)cc2)cc1	408865118	BCAHBEDYFIWRGQ-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1Cc1ccccc1Cl	408867593	LNUAHCOEALOOGU-WOJGMQOQSA-N	577.249	7.133	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1	408868138	NQEIQMRDBRIAII-ZMOGYAJESA-N	634.470	6.273	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3F)c(OC)c2)cc1	408869904	SSGASJMDTBFTDR-UDWIEESQSA-N	584.385	5.752	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408877353	QVFXIRBECRSJJI-WOJGMQOQSA-N	530.647	7.001	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)Nc1c(Cl)cccc1Cl	408878750	BPCHSLREMVGPRE-RVDMUPIBSA-N	518.334	5.215	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1cccc(Cl)c1	408880002	IDRVNIUOQQJZLJ-YBFXNURJSA-N	558.803	6.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OS(=O)(=O)c1ccccc1	408892542	BXNQUKYRUHTROU-MHWRWJLKSA-N	606.838	5.723	50	40	KKGB	
Cc1ccc(Sc2oc(/C=N\NC(=O)COc3c(Br)cc(Br)c4cccnc34)cc2Br)cc1	408908146	BDKKEEVFQMMSBY-FXMZOFOKSA-N	654.178	7.104	50	40	KKGB	
N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408939457	SQYKXFXXZWIXMD-WQRHYEAKSA-N	501.302	6.593	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12	408947080	NQPDPEIGMGGRPT-WJOKGBTCSA-N	677.610	6.611	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	408974336	XYPQXDAWWVGXJD-VDPRZKPGSA-N	727.483	7.687	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408980661	RZJFVWGRJGOLBR-IHMSYIQPSA-N	729.356	6.486	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1	408982346	GOMMTAPMWUYALZ-OCKHKDLRSA-N	541.232	7.061	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)OCc1ccccc1	408987580	FUCQLFADNHQDPL-PBGWEGILSA-N	592.612	5.038	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408988169	CYUJNODLVZOHTL-STPLOHIPSA-N	700.799	6.363	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408994778	JALZHGMTYCVVKU-YVLHZVERSA-N	625.144	7.960	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc2n1C	409017667	SRRVFLCRXGLZNY-MIHYEXDHSA-N	531.484	5.634	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409038101	ZNEZYBMSLMQPEM-ODNPBWNPSA-N	563.488	8.284	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccc(F)cc1	409048463	WPZJBEALJGVKRN-MWBNBJEGSA-N	645.554	8.197	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC)cc(I)c1OCc1ccc2ccccc2c1	409077326	DESQZLGOQDYGLK-JAIQZWGSSA-N	512.347	5.075	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1	409083295	VDCYRFQQMMPYOQ-UHIZKJEFSA-N	731.303	6.232	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCc1ccccc1Cl	409135621	QNZYYQRFFAMVOO-BIZUNTBRSA-N	578.090	5.825	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)cc(Br)c1OCC	409167714	JUFPKYGRQPHBGV-AFUMVMLFSA-N	555.267	5.268	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409171215	ZJVCUQSJDHJJDJ-XJECJHNESA-N	584.595	5.012	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)cc2c1	409185295	WCQPCDQOSJJXPV-DBFSUHOCSA-N	501.341	6.620	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409248894	FUFIINIWVCQESA-JAIQZWGSSA-N	582.882	6.681	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)c1C	409264687	RDMHJZMSBIQNDV-NVJOKUIPSA-N	504.801	6.045	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)c(OCC(=O)Nc5ccccc5Cl)c(Br)c4)cc3)cs2)cc1	409267555	NSNGNUIRJUPKLF-HTVDVWKISA-N	753.904	8.822	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409268668	XISGYTDXECIUPO-MFOYZWKCSA-N	633.724	6.745	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1OCC	409304887	SVPVASGKDITNLR-NTFVMDSBSA-N	640.350	5.931	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OCC	409309304	FHMMURJSGZQAOJ-LQNQUEJISA-N	522.001	5.393	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1	409319306	DGFRLXMNQUXUIB-BJUCDSOZSA-N	668.338	6.840	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1cccc(F)c1	409324297	SBOVITOYLLBCKF-CAQPMQTCSA-N	514.553	5.765	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409358386	FRRVIPKILUDLHQ-DICXZTSXSA-N	573.387	5.178	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1	409372689	GROJMOCAIDDRJZ-FJEPWZHXSA-N	553.840	6.616	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1	409373083	LDENAHOSDNFNBF-MNDYBZJGSA-N	553.840	6.616	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccccc1Cl	409390228	DQVWAQNDRLSJJY-NVMNQCDNSA-N	519.741	6.735	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)cc(OC)c1OC	409395311	MDVQVKVHJUEZRQ-UHFFFAOYSA-N	628.479	6.606	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)cc1	409395573	PGTGVYSZELMLMP-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409396424	YGKBTWYZHPUBDT-UHFFFAOYSA-N	774.249	8.584	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)c1	409397884	PANUIYRXBIOIRP-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409398087	QJLLRYOXRFSHRN-UHFFFAOYSA-N	591.973	7.499	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398932	WPLZVRUYLZXWGS-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(O[C@@H](C)C(=O)O)c(I)c3)o2)cc1	409400148	BRBCOLZLYADPCR-PIEWVDTRSA-N	753.331	6.091	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1cccc(C(=O)O)c1	409404530	QDVIKOJBVNSESK-KOKCXWAISA-N	686.559	7.468	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc(C(=O)O)c4)c(I)c3)o2)cc1	409407464	ZVMPRNVQAYACKU-AEUUOICLSA-N	689.506	6.912	50	40	KKGB	
CO[C@@]1(C)O[C@H]2O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1	1083805670	KJOXQJMJZSWNTR-YZNZALTISA-N	572.815	6.810	50	40	KKGB	
Cc1cc(Br)c(NCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c(Br)c1	1950259	TUSAIFYRGSOVOG-LGJNPRDNSA-N	517.221	5.875	50	40	KKGB	
COc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)ccc1OCc1ccccc1	2312414	XQGCAMSIDBFKND-QFIPXVFZSA-N	513.619	5.293	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/C=C/c1ccccc1	2705909	MIXZHEALSGZBKG-ZAHGHWQKSA-N	519.424	5.056	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1	3114009	KVTMKBMDPQCZPB-OAHNOQMOSA-N	574.225	5.029	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cc(Br)ccc1O	3195375	XWOXVJJNYOYACG-WYMPLXKRSA-N	504.178	5.260	50	40	KKGB	
CCOC(=O)C1=C(C)NC(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@H]1c1cccs1	19597248	XCZHSMOOSXIBNN-QLSGSYOPSA-N	525.740	5.461	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1	19953409	IOFAMEODUVBCSD-OVVQPSECSA-N	504.439	5.314	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc(Br)c1OCc1ccccc1	28217651	MTZOYOQOXFBAMS-MZJWZYIUSA-N	513.457	5.729	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1cc(Cl)ccc1O	73351198	JEJHIQISUMSFHM-ZBIDQWECSA-N	558.986	5.771	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1Cl	97951269	CURSBTOVTVIJMS-XMMPIXPASA-N	546.476	5.559	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1)c1ccc(F)cc1	97972256	OBOPRPVDHANKTK-UZMMJWQXSA-N	628.515	5.953	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	100065130	XTDNDNGITOQEHT-RWPZCVJISA-N	554.934	5.003	50	40	KKGB	
CCc1cc(Br)ccc1NC(=O)CCCCCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	100395000	YSUAFJDLKNMOOC-ADUPISGUSA-N	619.192	5.288	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	100405676	YKTURZBHIHYNJA-XODNFHPESA-N	574.806	5.467	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(OCc4ccccc4)c3)n2C2CCCCC2)cc1	100858938	IUKOXTKVUQDNID-UZWMFBFFSA-N	539.705	6.580	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCC(=O)NCCc1ccccc1	101619889	LKOOYWKDPJLBAR-HAHDFKILSA-N	562.464	5.440	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/C=C/c2ccccc2)n1-c1ccccc1	102436683	QPVYKWIVQROQOE-CSDSLOGDSA-N	622.536	6.088	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	103899492	IPFTZOHYRSKSSB-JWHWKPFMSA-N	603.144	6.253	50	40	KKGB	
CCCCCCCC[C@@H](Br)[C@@H](Br)CCCCCCCC(=O)NCCCOC(C)C	104109931	VHCKCECWGTZTTG-PKTZIBPZSA-N	541.453	7.926	50	40	KKGB	
CCCCCCCCCCCCNNC(=O)[C@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2[C@@H](O)[C@H]1CO)OCO3	104124830	RIGXOJYTTTVIFJ-SPJMRJSYSA-N	614.780	5.386	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(OCC)c2)cc1	104403201	PUIMLFXTNBUVKD-JVWAILMASA-N	544.389	5.432	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)c(C#N)c1C	109641222	DTSXYDZKMCTMBS-RGVLZGJSSA-N	549.446	6.165	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1Cl	112255085	NOJPCJSJQHLRLX-VPBLMEEESA-N	605.050	5.452	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	112265470	WLUOKQFKMZHTCR-CCVNUDIWSA-N	580.704	6.536	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	150385646	XHXPQJRSYLSCNK-ATZGPIRCSA-N	633.490	6.221	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccc(-n5c(-c6ccccc6)ccc5-c5ccccc5)cc4)c3C)sc3c2CCCC3)cc1	164594848	KFJFKIXNDIZWPC-VQOPBWDXSA-N	727.934	10.484	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539272	VAFVGDRKOBAHLC-IYVXLEGESA-N	777.741	9.954	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccccc1	408540954	DFRKCQSDSYPVEU-GRSHGNNSSA-N	554.340	5.123	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c(C#N)c1C	408545991	BPYLYQFFKQRQEF-FYJGNVAPSA-N	552.612	6.043	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1OCC(=O)Nc1ccccc1	408555295	WWQMNLFBLFIKKF-XMHGGMMESA-N	512.591	5.070	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccc(C)cc1	408555435	XJBLQBGRQYEAOB-CIAFOILYSA-N	576.516	7.093	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1	408567363	DDHDTBJUICLWPN-CCVNUDIWSA-N	543.066	5.625	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1	408582409	NXRPLEBIXZNTFB-MHWRWJLKSA-N	583.685	6.705	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(I)cc1	408711823	MJAJZEMAQUIYAZ-KBKYJPHKSA-N	692.971	6.922	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408718568	ZNJKTBYSLLGXLI-FABQOPTDSA-N	658.560	5.944	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)cc2-c2ccc(-c3ccccc3)cc2)c1	408725474	PQSLBGJZRLNXHH-HZQMBONKSA-N	597.118	8.511	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OC(C)=O	408760172	SWZRUFUTNNNTSD-MLPAPPSSSA-N	545.160	5.468	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408763440	DYIABWCLLFPJSX-DEDYPNTBSA-N	580.950	8.013	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc2ccccc2c1	408787666	DIUHIBFGJJQOQQ-CVKSISIWSA-N	602.472	7.585	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC	408788325	JOPTXOVUHKXQON-CXUHLZMHSA-N	520.754	5.209	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1C#N	408792411	BCWOEDAROUSJPO-FSJBWODESA-N	577.422	6.303	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	408795321	KUYFBHJXDKMNFM-CXUHLZMHSA-N	625.542	7.752	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408804022	CBCRRLLNQGWEQX-HMMYKYKNSA-N	501.355	6.866	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408820793	YUBYATZMZJDOKI-GRSHGNNSSA-N	637.699	6.518	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc(C)cc1	408823192	MZBJZSKHVSCMSG-OVVQPSECSA-N	597.509	7.860	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCc2ccc(C)c(C)c2)c1	408828059	LJMVSRDHKBGDJJ-WPWMEQJKSA-N	553.058	7.669	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408831831	HLHBUOJMYNKQFX-OEAKJJBVSA-N	593.894	8.359	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4cccc(C)c4)c(Br)c3)cc2)cc1	408833018	SQCBJXKLEVQARZ-WPWMEQJKSA-N	567.483	7.770	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1cccc(C)c1	408840136	XXMKDGCXUHESTI-QNKGDIEWSA-N	535.600	5.558	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	408841129	JBVSKUPOZSSWJB-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	408842602	OVZZGCDYYFTOLC-JJKQSNDFSA-N	607.427	7.079	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(I)cc1	408844335	CJVPAVUZFDJTFR-DBFSUHOCSA-N	698.149	7.304	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408844709	FCKFAGNLEIXWRD-GKVNEZTPSA-N	622.563	8.265	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408845213	VGNWZTBTOCVOLZ-JJKQSNDFSA-N	680.446	6.480	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2ccccc2o1	408845895	MFUXURJPULFRMX-FXMZOFOKSA-N	644.090	7.450	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc2ccccc2c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408849464	YYIYXOLECQMUNM-ZSNJKBEMSA-N	589.120	8.703	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408852361	SVGMZODLMIKLHH-JCMHNJIXSA-N	580.493	6.832	50	40	KKGB	
O=C(N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cc2cc(Br)ccc2o1	408854026	VUQDOJRAROAYGO-ACXHZZMFSA-N	522.402	7.115	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccccc1	408862430	YTRXQBYXMLSXCK-BIZUNTBRSA-N	638.540	5.391	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408867891	OIBBAIXFZLGBSF-MHDJOFBISA-N	633.985	6.717	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	408874349	AJFGVPRNZVDWMA-OCSSWDANSA-N	539.032	5.232	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408948122	OULXQOARIBFQBN-MHZLTWQESA-N	855.449	5.268	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408951291	IKYSEXPOHQEZOJ-OCSSWDANSA-N	660.293	6.711	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)c(F)c1	408968610	XWQJAITZBZNPGE-XKJRVUDJSA-N	650.189	5.121	50	40	KKGB	
CCCOc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1	408970805	KNOMAGKCMWUXSH-XSCROPPNSA-N	542.463	5.427	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1	409005666	JGYSHHZKJWUBHX-GOEQXXANSA-N	554.986	5.951	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	409016732	RNHHOBHUHQPBEQ-PWOJJTFTSA-N	575.449	5.919	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409017161	XEBVSUCYOFLTAQ-HZQMBONKSA-N	616.762	7.125	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	409025075	LFZZYCNVVDGEHM-ZTCXCAHESA-N	565.095	5.845	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1OCc1ccccc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409031702	KJFPDQGGHDHKMP-KVAAJVFYSA-N	743.770	8.107	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccccc1	409044444	CWTMUWHWEJSRHN-WOJGMQOQSA-N	612.380	5.161	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCC#N	409049298	QEOCPWKMVBJLET-MWLSYYOVSA-N	562.367	5.181	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409072044	AKIIYMDRBFAKRC-RVDMUPIBSA-N	552.233	6.069	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C	409080050	DBMGMDMDCWDSLM-LICLKQGHSA-N	560.326	7.331	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c2ccccc2)cc1OC	409131466	VVVJSIKWMFPTOV-KEIPNQJHSA-N	621.115	5.345	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1cccc2ccccc12	409149720	OOGAUQJOCQAEAX-IPPBACCNSA-N	631.264	6.264	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409175492	RXJZCTHDVUYLMQ-MHDJOFBISA-N	585.488	5.300	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1	409224076	HIQCXGCBARRCNC-JVMBGAFUSA-N	505.412	6.211	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)ccc1OC(=O)c1ccc(C)cc1	409226655	QJSKFAFDGKGINB-UHFFFAOYSA-N	551.599	5.638	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409232763	PNZXIKVGMRLLGA-BKUYFWCQSA-N	680.178	7.051	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409259725	DHKYTWQGKBGRHW-IPPBACCNSA-N	613.262	6.625	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409261337	AHAGBLMPMGDXHJ-XJECJHNESA-N	675.008	8.059	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409317850	WJNYULQENHRGBE-MWLSYYOVSA-N	631.436	6.408	50	40	KKGB	
CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC	409318124	UUMCERLIXGZCHB-RHANQZHGSA-N	541.442	5.988	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409318583	XAIIYQVYFLWWLN-MUXKCCDJSA-N	639.284	5.813	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)ccc1OC	409325002	WMUSELJSJIOWRK-UHBFCERESA-N	584.467	5.345	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409365700	VYHIZPNUFDHNRQ-UNOMPAQXSA-N	552.400	5.859	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1	409372657	GALGYUINLVZSFN-DPNNOFEESA-N	525.004	7.007	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(Cl)cc1	409385165	IETLVROBCKGARB-XODNFHPESA-N	544.416	6.858	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(I)cc1	409385491	KWUIXJYEKJDMFR-XODNFHPESA-N	680.318	6.918	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)cc1OCC	409394771	FRMIWUXWMXYLQK-UHFFFAOYSA-N	654.561	7.995	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3)c2c1	409394994	IOAUICCFKQCQCH-UHFFFAOYSA-N	593.636	6.243	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409395100	JWWMTQZWDIQGPF-UHFFFAOYSA-N	809.817	9.041	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC(C)=O)c(OC)c4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409398093	QKSITDDQWYWCHK-UHFFFAOYSA-N	642.064	6.423	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(Br)cc(Br)c(O)c3Br)o2)cc1	409406767	CNFKORQJFPWAGW-ULPWCQAASA-N	666.164	7.023	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(Cl)cc3)o2)cc1	409409701	QDLZHEWRISRFJN-HQDYHJHZSA-N	613.026	6.811	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1	1529546336	FCSSSEGGBAPTJQ-PLUGIQRDSA-N	773.606	5.062	50	40	KKGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1	1838489	OVRXRVXFKQZBNT-SILNSSARSA-N	593.503	6.154	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2	3146000	PAJSIWREEOEARX-STBIYBPSSA-N	548.462	5.047	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)cc2)c(Br)c1	3262966	VYQFLGCOBVTXDU-XKJRVUDJSA-N	570.203	6.882	50	40	KKGB	
C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C/C1=N/NC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2	8382381	VXLVRWWWBQOCCJ-UYSGAPTMSA-N	541.605	5.868	50	40	KKGB	biogenic,in-vitro
CC(C)OC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1ccccc1Cl	8451172	RGJIZQGVYPQGDM-XMMPIXPASA-N	535.069	5.681	50	40	KKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C(F)(F)F)C3=C(CCCC3=O)N2)c1	13174371	LNQZFKARJOWKPT-XMMPIXPASA-N	511.569	6.123	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1	13297902	BKVBTXKBTUFQEI-SANMLTNESA-N	515.679	6.003	50	40	KKGB	
CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1OC	15913925	IDZUEHANLNSPBM-UHFFFAOYSA-N	527.621	5.856	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)c3ccc(C)cc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	20347742	WDWRDCZFVFTQBS-NDEPHWFRSA-N	525.630	5.660	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	59647337	PIIJOOKSJOQDFC-UGWPKUPRSA-N	612.752	5.159	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	72336362	RPECXBYLDCYIEV-RNBBZLAVSA-N	512.613	5.980	50	40	KKGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	97960807	RFWXLDUSLKWUOU-WYMPLXKRSA-N	552.210	5.472	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1Cl	100128192	UXKQUAADXZILKI-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2cc(Cl)cc(Cl)c2)cc1	100138887	FPAXDYHXEZWDGS-KKMKTNMSSA-N	545.275	5.954	50	40	KKGB	
CCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1	100548189	OJPWKHHDOHXTPS-FNAHDJPLSA-N	571.350	6.411	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccccc1Cl	100852557	OIQSFACFFVOTMM-OCSSWDANSA-N	537.110	5.920	50	40	KKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1OC	100877155	HFERIYWVMRPGDY-XSFVSMFZSA-N	539.053	6.978	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	100988401	PTMHMYOTGZZNGE-GPXZHFRMSA-N	563.293	7.365	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])N1	102810103	HMZLVLNXLRVTHQ-RUZDIDTESA-N	545.646	5.671	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\CCC/N=C/c1ccc(N(CCCl)CCCl)cc1C	104057271	JKVLHFIOZSGDCC-NELAXGKJSA-N	558.425	6.800	50	40	KKGB	
O=C(CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1)N/N=C/c1cc(/N=N\c2ccccc2Cl)ccc1O	104307038	FLWSLQDKSRAEOV-ASQWGLLVSA-N	574.424	6.828	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795479	GZWWMLGJTJVBBK-RTBURBONSA-N	956.357	14.162	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539360	VXOSUEUKNUAIOS-SNDAAJCPSA-N	719.263	9.536	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408541998	IVQJUWGRWPDXRP-QFEZKATASA-N	528.402	7.342	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550939	ILQYWYYEQLEXCQ-ZDLGFXPLSA-N	694.309	6.346	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc(Br)cc1	408598577	DVWBVHSUHYKTHO-WKULSOCRSA-N	621.313	6.703	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)c(Cl)c1	408612048	UDHUUTIALMZRSF-XODNFHPESA-N	504.345	5.199	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408649953	LUYQOOZNHQPDIQ-GFBPQJDASA-N	643.159	5.400	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408650011	ZAHSISSDZSVWPX-FZDBZEDMSA-N	662.118	5.064	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408655242	GQJOUGZDRMVMBU-XABWRGDLSA-N	673.185	5.687	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3cccc(Br)c3)cc2-c2ccc(-c3ccccc3)cc2)c1	408724185	HGYDACIWTRFREH-UZWMFBFFSA-N	535.445	7.041	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408724615	CKBKLJDSXQBCER-ZDLGFXPLSA-N	623.274	7.130	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408728253	YIWKKFAXOTYABK-ZCTHSVRISA-N	548.064	5.649	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408732914	UNACZPWHYJNCDO-WPGMWTCCSA-N	703.802	10.608	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br	408744460	LGEIYYQIXGZLPK-NVNXTCNLSA-N	522.193	5.008	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)COc3ccccc3Cl)c2-c2ccccc2)cc1	408744703	ZLUXPNIAZHGXPI-FADJLKOXSA-N	550.058	7.393	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1	408759378	DBHBXGXCVNNXCR-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc(C)c(C)c1	408837202	ZYEURILWLUUEHT-RDRPBHBLSA-N	532.640	7.324	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)cc3)cs2)cc1	408838769	IEEPSOONIAOSLX-FJEPWZHXSA-N	558.019	7.448	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)O	408839033	LVHJQASBSQDEJY-VFLNYLIXSA-N	595.475	5.861	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)c(OC)c1	408846579	TXTVUSBYQCMSNK-UVHMKAGCSA-N	538.969	5.496	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1ccc(I)cc1	408848262	VIEGQVYLQQAVFE-KPGMTVGESA-N	651.961	7.983	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408857504	HKOMHEIXPMTVHE-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	408857558	KTIGZNNLQHOMSM-BIZUNTBRSA-N	607.574	6.073	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408857880	NHBCWKUCZCEJJR-ZMGVVAQMSA-N	532.427	7.490	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	408860938	IXEHSMRMHVEPJW-ZCTHSVRISA-N	565.095	5.492	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc(Br)c1OCc1ccccc1	408862009	WGANXKLCQDVSBL-UVHMKAGCSA-N	578.326	6.183	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408874383	AVTFABUDQFGKLH-QIAFAXPKSA-N	552.252	6.181	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(C)c(C)c2)cc1	408877892	XSKMOPJLRBEYQD-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Cl)c2)cc1	408878063	ZGNPGDNUJGNMFR-FYJGNVAPSA-N	523.814	6.416	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)S(=O)(=O)c1ccccc1	408884608	UQCHMFXPYGINEG-AJBULDERSA-N	528.678	5.311	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Br)c(Br)c1	408887183	OVGOFRFMVYTBAQ-XDHOZWIPSA-N	526.228	6.645	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408887503	REQMRYLKUIQZGU-XNTDXEJSSA-N	562.785	5.324	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408888537	WULLNLAZGAWARA-VCHYOVAHSA-N	593.248	7.121	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1	408891563	SKTOQJWSPJIYHP-XMHGGMMESA-N	541.423	5.470	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)ccc1Br	408904854	PNRIDKYRBCMDMS-LGUSAWBASA-N	712.007	8.166	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2Br)cc1	408921243	AAPZACQSGUZXQB-BRJLIKDPSA-N	558.237	5.296	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2I)c1	408927147	ZUGFVXVVOLKJBQ-VCHYOVAHSA-N	664.237	6.027	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1F	408982958	JDIGLFZMKITXQX-GRSHGNNSSA-N	543.820	7.073	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408993596	WQHVWUBMWLHIHK-QRVIBDJDSA-N	531.996	6.809	50	40	KKGB	
CC(C)(C)c1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1	408995587	BIUJHZMELYOYKM-QRQIAZFYSA-N	542.499	5.088	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)Oc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1	409007563	XUPFPVBPSSOHQR-RJJFLPMKSA-N	638.301	7.358	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409015461	SFHVEZFHWGORRV-XZYGTATASA-N	572.105	6.598	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)ccc1OCc1ccc(Br)cc1	409016233	GAGMBBMOOZZAEE-NUJZUDFISA-N	569.253	5.868	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc2n1C	409017661	SRRVFLCRXGLZNY-KIZAIXKYSA-N	531.484	5.634	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3cc4cc(Br)cc(I)c4o3)c2-c2ccccc2)cc1	409019325	YTGOCJGCWOQCKC-GLJXUZQSSA-N	758.410	8.865	50	40	KKGB	
COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409033957	GOOOFNCGLFTINX-YSMPRRRNSA-N	507.331	5.279	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)c3nc4ccccc4o3)cc2Br)cc1	409048368	SRMNNISGBPQXHE-VCHYOVAHSA-N	524.212	7.304	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1	409070340	LOEHDWLGOANVDV-GZTJUZNOSA-N	531.373	5.093	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409075339	QYKDGQOUDUROMC-CAOOACKPSA-N	601.207	5.943	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409081585	QDZDWJBCSWTIPX-FYJGNVAPSA-N	528.521	6.195	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Br	409119464	SOCJKAKNCYXQMX-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(C)c(C)c5)(c5ccccc54)[C@H]3C2=O)cc1	409180068	WFKWNBKRXATFMG-FILICKBVSA-N	553.662	5.507	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409213020	RWVPDHGYSVSNNZ-MFOYZWKCSA-N	640.069	7.368	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409221472	QTSVIHFJRBMBPD-BKUYFWCQSA-N	574.302	6.999	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(I)c(O)c3)o2)c(Br)c1	409228946	HMRJWDUPUCMYKL-LSHDLFTRSA-N	525.140	5.092	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2Br)cc1	409231668	FGDFMZFUIYSWBD-AIRTYWKNSA-N	554.282	6.883	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1cccc(C(=O)O)c1	409244230	ZVISCXNZRYFZEF-SLCIXIPPSA-N	582.394	5.361	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)c(C)c1	409255870	JELIGXHUMMWMEY-NHDPSOOVSA-N	522.432	6.790	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409259057	ZFIPJBLVKFRYMG-FZKWRIDDSA-N	588.060	6.108	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)c(C)c1	409266907	SCCGIFUXEAZQQG-VCHYOVAHSA-N	510.377	5.879	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)cc1OCC	409312730	MBIFCBKZCHZZIE-MWLSYYOVSA-N	652.361	6.015	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409312785	MMDCGANQRYDFKL-NKHVPTTDSA-N	629.975	7.419	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)ccc1OCc1ccccc1	409313829	QYIRCJFEUKGOMD-UHBFCERESA-N	621.400	6.409	50	40	KKGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3Cl)=C2C#N)cc1	409315082	NBXATUVACZUDAK-MRXNPFEDSA-N	520.836	5.212	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1OCC	409315928	KYWKEUFRRKORRJ-MNDYBZJGSA-N	624.757	7.395	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OC	409318526	YOKISSVDBCMMOY-DICXZTSXSA-N	535.405	5.098	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409320136	BWEGNIPVTHSRFZ-MBTHVWNTSA-N	615.393	5.794	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OC	409322317	IYEYRBSWTNSHAT-QDTIIGTASA-N	507.801	6.397	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1OC	409322776	LARNBNQWBNDLLA-ZMFRSBBQSA-N	548.231	5.572	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)ccc1OCc1ccccc1	409334050	RCGYTNVVQMQFID-MNBJERMJSA-N	609.498	5.877	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccc(F)cc1	409365079	SOLOXKHNYVNFJH-DLCNMLRHSA-N	600.075	7.128	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1C	409372737	IFJXYKLYGPGWRT-JEPNHJGPSA-N	576.722	7.212	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(I)cc1	409373981	WRAYAWPGBZLFLH-MUFRIFMGSA-N	566.395	5.805	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1F	409382681	NLEPQOXXUXTPJA-KMUKQRDJSA-N	609.683	6.873	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409392568	QWGRPZAJEAWJAR-AMVVHIIESA-N	706.278	6.098	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409394983	IKPAEDJKBMQANI-UHFFFAOYSA-N	522.004	7.088	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4cc(Cl)cc(Cl)c4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396214	HDKHMEYLSAPEHD-UHFFFAOYSA-N	694.999	8.974	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)o2)cc1	409406911	XZIBLBUHDBXPNL-QMRORBIVSA-N	633.488	7.824	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccc(OC(F)(F)F)cc4)o3)o2)cc1	409409337	NPABTBMOWAGQMF-DLCNMLRHSA-N	563.532	7.189	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	1529547645	NIKAKKDUEQLPIU-JYALLGCPSA-N	716.452	5.676	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	1529548200	AYKQGBVRDDYIID-QLGGRFKNSA-N	761.449	5.584	50	40	KKGB	
Cc1ccc(C(=N/c2ccccc2)/N=c2/sc(P(=O)(c3ccccc3)c3ccccc3)c(N)n2-c2ccccc2)cc1	1740816838	XNBDAWXHJKPKBH-WDHCIXFCSA-N	584.685	6.748	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C)nnc2-c2ccc(Cl)cc2)cc1	1788788	OCMYKVNLRLBKFD-LQKURTRISA-N	506.031	5.537	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3[C@@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@H]32)cc1	4045300	GUTBZWPDHFRXQM-HQEVBGHTSA-N	532.021	7.695	50	40	KKGB	
CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Br)cc2)/C(=C/c2ccc(Br)cc2)C1	8448495	OOSZTDJGFNVZTJ-BVZCLVNKSA-N	527.260	5.692	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	9190966	KZLVVTOHMYILMN-ICFXLVBESA-N	519.736	7.738	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1	9291848	DVHFPFQATOWSPO-ZDDKYUFNSA-N	502.039	6.330	50	40	KKGB	
CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1	9357247	SUCOMAZYHLQRPB-OGLMXYFKSA-N	526.062	5.662	50	40	KKGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1	9909697	FWLBMHXGJPAFTA-LICLKQGHSA-N	503.933	6.517	50	40	KKGB	
CC/C(=C(/CC)c1ccc(O[P@](N)(=O)N(CCCl)CCCl)cc1)c1ccc(O[P@](N)(=O)N(CCCl)CCCl)cc1	49888566	PKIOPYYOOBASFD-LWOSAIASSA-N	674.374	7.868	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC	59222179	YDYSHXBAYWICJI-OCSSWDANSA-N	578.518	5.522	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1	60028466	RNZCCMHFRSFPRJ-GPVZYABLSA-N	611.496	5.656	50	40	KKGB	
O=C(COc1ccc2ccccc2c1Br)NNC(=O)COc1ccc2ccccc2c1Br	97940372	HBDIWSMOHSISAK-UHFFFAOYSA-N	558.226	5.123	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	97961110	MVJYWFJFFCUYJZ-JVWAILMASA-N	544.243	5.163	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	98000057	RQJSIUAVGULKOU-WJOKGBTCSA-N	580.109	7.304	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048759	MHZKFQYJFSMSIT-NDEPHWFRSA-N	585.642	5.324	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@@H]3C(c4ccccc4)=NO[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	100011889	PCPWWUPRFBJKIV-RKDORCIMSA-N	613.634	6.821	50	40	KKGB	
CCOc1ccc2ccc(OCC)c(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2c1	100221304	RTMSFUIMMVIAQP-IBBHUPRXSA-N	542.583	6.549	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303188	ZSMUGQDQZGIGLM-KCSSXMTESA-N	595.121	5.419	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C\c1cccc(Br)c1	100844356	PBTHNAPHAZBWSE-WGARJPEWSA-N	526.847	5.593	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(OCc3ccccc3)c2)nnc1-c1ccc(C(C)(C)C)cc1	100858490	VCHICYXWFGQSHP-BIZUNTBRSA-N	557.720	6.093	50	40	KKGB	
CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C[C@@H]1I	123224831	LEWFGYWUDKXYIJ-NGYRYOBISA-N	556.613	8.453	50	40	KKGB	
CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@]2(CC[C@H](Br)c1ccccc1)[C@]1(CC[C@H](Br)c2ccccc2)C(=O)[C@]2(C)CC[C@@H]1C2(C)C	150343160	OTDWURFYQOPABZ-NLDKSGFJSA-N	696.608	10.842	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	150385598	OFUPROVEVXOJMV-PTEHHBOZSA-N	657.929	7.419	50	40	KKGB	
O=C(CCC(=O)Nc1ccccc1C(F)(F)F)N/N=C1C(=N/NC(=O)CCC(=O)Nc2ccccc2C(F)(F)F)\[C@H](c2ccc3c(c2)OCO3)Oc2ccccc2\1	150435065	BAZWYQPBNWINRE-SVAUIOPMSA-N	796.681	6.717	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)cc(I)c2OCc2ccccc2F)c(C#N)c1C	150538094	YIFWIRQINLXHBN-QGMBQPNBSA-N	740.332	6.751	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	245226897	QZVGKUKNARCBHD-NGJYBFBOSA-N	554.710	6.720	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2OC)ccc1OCc1ccccc1	408538724	PTJPTVIVIGVGSJ-MIXAMLLLSA-N	562.666	7.414	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1	408538735	PYXHNAZENLOVRC-LGUFXXKBSA-N	520.585	6.495	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(OC)c2)cc1	408538788	BRLMEJIIKGAUAH-GKVNEZTPSA-N	645.594	8.121	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408545219	ZZZRRKNRJHWRIM-CAQPMQTCSA-N	590.474	6.173	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccccc1Cl	408587774	HFVVMANYABCOSH-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)CC2=O)cc1	408609840	SDZOMDAHLSIPBD-LJQANCHMSA-N	528.436	5.640	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)c(Cl)c1	408610267	NCLSSQQDMXSNNV-IPPBACCNSA-N	514.409	5.677	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1	408711584	ABMWLFJVGVWTHI-MBTHVWNTSA-N	578.834	5.624	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408726654	UQMHLKRTAKXBJZ-YVLHZVERSA-N	542.773	6.144	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408740915	JCTNSVHPSGFFFI-SNDAAJCPSA-N	772.470	10.074	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3Cl)c2C)ccc1I	408741739	RUIMFAFCQQPGCT-FJEPWZHXSA-N	584.889	6.832	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408745773	VLAZEOYIOFWUNV-GRSHGNNSSA-N	664.237	6.027	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc2c(c1)OCO2	408754311	QDPVNXCDIDBHAG-IUXPMGMMSA-N	586.236	6.074	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1	408793806	GHJNRIXWYFOTJN-KEBDBYFISA-N	689.247	5.679	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1C	408796522	PAARMGSDGPEMQZ-VXLYETTFSA-N	558.245	7.092	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(I)cc1	408797835	SUAZQLFUUKRCOY-XDHOZWIPSA-N	558.803	6.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Br)cc1	408798147	UTYIFQXYRXERAM-VCHYOVAHSA-N	637.699	7.230	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1c(C)ccc2ccccc12	408800483	MVVAJGVWAIVSLD-HYARGMPZSA-N	575.890	8.088	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1	408815987	QOEBMFFGGJFXCD-VCHYOVAHSA-N	527.802	6.244	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408823314	DWAZBSDWEMPQJG-JJIBRWJFSA-N	512.968	7.183	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408827960	LESOOVZRXOVBQI-YDZHTSKRSA-N	686.817	9.512	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408828723	JATQHSMKJCDFEY-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408833627	RYRZDIRIJSQFNI-JBASAIQMSA-N	595.098	9.350	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Cl)cc1	408843634	GRLVINYSAVGYFX-NVJOKUIPSA-N	532.221	7.153	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408848947	XIIFMTFELCCUIL-ATZGPIRCSA-N	621.433	6.536	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc(Br)ccc2o1	408849516	WPIZUDQPBCMWJL-BCHBDCPOSA-N	699.093	6.814	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)c1cc2ccccc2o1	408852660	VKBDGIHFDNRVNG-ZMFRSBBQSA-N	528.200	6.301	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408855271	BHWATCMCKKBSEH-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(Br)cc1	408858029	RGIUNIAZXNTSCC-KVSWJAHQSA-N	601.122	7.260	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408859708	PRGUPJNIJFTXOM-HUEHPZEESA-N	626.960	6.138	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1	408864907	AIMSXYDIHQCVGO-OGLMXYFKSA-N	551.086	8.071	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408868086	MJDLRODBPJKXEQ-RAWMCFOBSA-N	600.196	5.858	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OCc1ccc(Cl)c(Cl)c1	408871509	YMICCZSWUZXWJY-SRZZPIQSSA-N	541.431	6.212	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408871937	ZVBAAPSXZQYFRJ-VXLYETTFSA-N	576.274	6.575	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1cc(Br)ccc1O	408875930	HXHVJSNYTAEHPZ-WOMFOXAVSA-N	671.345	5.884	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	408888871	CCVZWUCIPWXFLN-LDADJPATSA-N	536.338	5.439	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccccc1Br	408889923	LAEHZCSIUMFCIF-LICLKQGHSA-N	607.217	6.326	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)c1	408891791	VKICHNTZIRRTSC-RGVLZGJSSA-N	506.356	6.099	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Cl)cc1	408892719	CPYIAYQIAARGEU-LFIBNONCSA-N	501.753	6.420	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	408904960	RCKBTJCOUOIZNR-ACXHZZMFSA-N	526.524	6.231	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1	408944863	JTBNOBNUYOIUJQ-LJAQVGFWSA-N	681.609	5.230	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408948303	RDHREVSPSNSHMI-BJUCDSOZSA-N	554.647	6.186	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)c(OC)c1	408950597	HCAFIBJWYUZEDZ-CJPARAFHSA-N	821.463	5.760	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)c(OC)c1	408952519	KOYXHLKYQYGZKP-PDQWDMBESA-N	729.968	5.108	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c(OC)c1	408957976	WSQCFJYLPVODBE-MTYJQCMISA-N	701.574	5.910	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408969238	JXTYBDFCPVDUOL-DBEIQOBJSA-N	604.534	6.526	50	40	KKGB	
C=CCc1ccccc1OCCn1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)c2ccccc21	408972005	NMEZCHSYZQOUJL-LYBHJNIJSA-N	531.641	6.617	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1Cl	408982941	IZQLPJWEFLQXAF-FMQZQXMHSA-N	651.682	6.869	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(I)cc1	408985069	UVICWNWMBNODFN-YBFXNURJSA-N	651.726	7.539	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl	409052381	DIOGNROSIPQDHV-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
COc1cc2c(cc1/C=N\NC(=O)c1ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc1)OCO2	409056416	RFZYVCJGZORVEI-PPDIBHTLSA-N	506.971	5.708	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)cc2)cc1	409112778	CZWDMJCMFANSEQ-ZCTHSVRISA-N	528.678	5.608	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409133794	RZYLJVIKOYIOJD-KVAAJVFYSA-N	675.591	5.781	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl	409141126	HNWQBFKFRURKCL-IZYHBKOJSA-N	675.034	7.587	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C	409153638	LZOIZFJTKWKLCD-VVEOGCPPSA-N	601.885	5.143	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1	409157559	VXLFDFVHDBXQIJ-FJEPWZHXSA-N	557.434	5.061	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	409162021	CAKQDBVILKGROX-WKULSOCRSA-N	518.828	6.485	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)cc2c1	409186893	JDZGHSIMVGLCFZ-AQLQTECXSA-N	653.300	7.485	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(I)cc1	409210524	KRCCTODYMHDFCZ-UNOMPAQXSA-N	512.303	5.851	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1	409219771	QCEAPRCCRXVFIC-MWLSYYOVSA-N	501.926	5.477	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1	409236344	FBVNWOTUVXFPBH-VBNMEBLOSA-N	540.801	6.374	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409248707	FNLMCRZCOIKURX-ODLFYWEKSA-N	568.855	6.291	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1	409252724	SKKFOQTVZRZWJK-YBEGLDIGSA-N	530.795	6.219	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1OC	409312059	JDXBOKUJUJVJRQ-MBTHVWNTSA-N	515.379	5.729	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OCC	409320067	BLJAQBBFAGYYTR-APTWKGOFSA-N	547.051	7.032	50	40	KKGB	
CCCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	409362301	TYVPHIFONKSITG-FJEPWZHXSA-N	599.938	7.531	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	409366800	YNUWNKKEWZHNHH-KVSWJAHQSA-N	581.692	6.015	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	409367630	GOAICWMHROGBST-DHRITJCHSA-N	612.205	5.247	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc2ccccc12	409367785	GIEYOTVHWXMSAT-MWLSYYOVSA-N	570.896	5.597	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	409372012	DGWISMHTDHWVTJ-VYYCAZPPSA-N	502.354	5.572	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372515	ZHXWGSYGUOBULD-LSCVHKIXSA-N	558.182	6.461	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccccc1C#N	409374281	LFXUYUYMDFCLKL-JMIUGGIZSA-N	546.368	5.999	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3cccc(C(F)(F)F)c3)[C@@H](OC(=O)c3cccc(C(F)(F)F)c3)C(=O)O)cc2)cc1	409376678	COCOFVMWZFZWCR-KAYWLYCHSA-N	745.585	5.582	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)Sc1nc2ccccc2s1	409384003	UYOWGMRATXRION-FRKPEAEDSA-N	721.210	9.048	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)Sc1nc2ccccc2s1	409384014	VSKARYSWFJMAGD-LICLKQGHSA-N	558.320	8.057	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccccc1	409385311	JINGTCZKUQRZEZ-LGJNPRDNSA-N	540.395	5.924	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccccc1C#N	409386371	PTPGHRFGHAMHPO-XODNFHPESA-N	565.405	5.795	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c(O)c1	409391605	KBEXDDLTMGGDSV-IPPBACCNSA-N	584.264	6.422	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc2ccccc2c1	409392430	MNRYOVAPHVEBIE-FMCGGJTJSA-N	535.356	7.235	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1Br	409392740	ROSXGWJIJMJXLG-MZFJOGFUSA-N	524.418	6.182	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)cc(OC)c1OC	409394963	IDOIIBHNGXRMAU-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)cc1	409395491	OGBIFUPMHWFXCN-UHFFFAOYSA-N	595.497	6.955	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409397950	AIACPUQZNOUPAW-AEVGBRMKSA-N	645.087	6.849	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	1529547903	RJISOQDUJGMQOL-MKEMXLLOSA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	1529547992	UUADTUWPRYNZMG-MWKDUONYSA-N	746.478	5.684	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1740227	RNHFSQATPICZDT-FADJLKOXSA-N	559.739	7.450	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1	1790511	SJCASVRFBODCGU-IEQIIXMPSA-N	502.039	5.434	50	40	KKGB	
O=C(O[C@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2N=C1O)c1ccc(CBr)cc1	1906329	MQBYZRLPQSKYPU-JOCHJYFZSA-N	562.645	6.620	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1c(F)cccc1Cl	1906637	KACHLJGBIPXFIM-UVHMKAGCSA-N	506.434	6.139	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2ccccc2c1	2307503	VSWFDBRDWMBPPW-TURZUDJPSA-N	503.602	5.683	50	40	KKGB	
COc1ccc(N2C(c3cccs3)=CS/C2=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1	3190722	GEJPWZORLBWULM-VYIQYICTSA-N	540.674	5.618	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(O)c(OCC)c3)cc2)sc2c1CC[C@@H](C)C2	6167159	CEEYRMVWQNDSRD-HHBZTPDFSA-N	593.702	5.324	50	40	KKGB	
O=C(O)c1cccc2c1N[C@@H](c1ccccc1Br)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21	6445666	WHONIVQSYJOJLV-KMRIWGIYSA-N	559.869	7.094	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1c(F)cccc1Cl	8451194	ZALPPKPJLANZFR-JOCHJYFZSA-N	539.032	5.432	50	40	KKGB	
C/C(=N\NC(=O)c1cc(Cl)cc(Cl)c1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965772	GXIJKQWIJDCRDB-OOEWDAAOSA-N	518.216	5.919	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1	98006074	BISFDBCMIZXMEW-QFIPXVFZSA-N	579.107	6.333	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccnc1Cl)C(N)=C(C#N)[C@@H]2c1cc(Cn2cnc3ccccc32)cs1	98007988	MCXRVCZVLOOZQN-RUZDIDTESA-N	541.080	6.135	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100120127	OPQXWHLVBKBRFU-QLQYKETESA-N	573.568	7.620	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240876	CCGXCPKKUQGKEK-HPNXWYHWSA-N	628.150	6.817	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl	100394966	FGLFDHZGWFMNKM-NCVBHOKTSA-N	581.132	5.270	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1	100989446	FSILSWCGKGEONO-JSIHEXFSSA-N	583.305	6.277	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	101075858	XHRWXUFOFIPPIU-XMMPIXPASA-N	525.070	6.364	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1	101178638	BRKSDBDBQJQZGM-YWDBVWQESA-N	542.842	5.438	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1Cl	101304997	XHJKMMCCDQLUEO-SANMLTNESA-N	544.076	6.417	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	102262912	OAVPJGMGWRGZAE-HKWRFOASSA-N	555.384	6.154	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccccc1	103844574	AYVLATIFHRMASU-RQXXSLPSSA-N	613.559	8.745	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	103896495	RGDPEYWNVLKCFC-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
C[C@H](Cl)CN(Cc1c(O)c(O)c(CN(C[C@H](C)Cl)C[C@@H](C)Cl)c2ccccc12)C[C@@H](C)Cl	104049489	UMMNLWKIUMARBO-USTZCAOPSA-N	524.360	6.364	50	40	KKGB	
Cc1ccccc1C1=C/C(=C(/SS/C(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2/C=C(c3ccccc3C)SS2)C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)SS1	150435244	USTZDWIBEMKHEZ-LDIFZFAOSA-N	968.854	13.586	50	40	KKGB	
COc1ccccc1N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1C(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1OC	150473626	KINKMHLFZRHNKY-UHFFFAOYSA-N	826.906	6.932	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)c1	164698327	BHYYLMWTFSRULS-HAHDFKILSA-N	642.335	6.197	50	40	KKGB	
Cc1cc(P(c2ccccc2)c2ccccc2)c2c(c1)C(C)(C)CC1(CC(C)(C)c3cc(C)cc(P(c4ccccc4)c4ccccc4)c3O1)O2	169670821	RQMTZMWXNZQOPD-UHFFFAOYSA-N	704.831	9.337	50	40	KKGB	
CC(C)(C)[Si](O[C@@H](CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1)(c1ccccc1)c1ccccc1	199847226	CRBPHYMIRLKDFY-NVLDWDGTSA-N	647.838	8.473	50	40	KKGB	in-vitro
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408527027	DRNFKJITQBVAIJ-PNQUVVCRSA-N	585.218	6.372	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542329	KTGUITMCTQFHMD-UXHLAJHPSA-N	506.002	5.318	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(C(=O)O)cc1	408543657	RXUOQRNONMUSBX-UUYOSTAYSA-N	518.794	7.597	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408544157	VFZMNNMGEPJUFO-IDUWFGFVSA-N	695.207	5.627	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552070	NVBLLQUJOSBWHB-VIZOYTHASA-N	690.243	7.189	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552741	UZQIUKWLWPMOQX-CAOOACKPSA-N	709.322	6.972	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	408569020	LZCAJQDIIRVTSH-VFLNYLIXSA-N	612.398	7.343	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408570693	XPWMGKPRXCPLPZ-NVNXTCNLSA-N	539.336	5.694	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408599302	SFBJDCMZKFEFRM-RWPZCVJISA-N	587.414	5.848	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408604890	JAGLDPLVGUMIEX-MRXNPFEDSA-N	534.827	5.731	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408639543	FVEBHRJZUOZFPE-LUKWVAJMSA-N	782.225	6.283	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408649958	LUYQOOZNHQPDIQ-YGTKMWTASA-N	643.159	5.400	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408683469	LHUOWORENTXIAF-YEYGNOCGSA-N	646.119	5.237	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1)c1ccccc1	408724936	CESDQBIJFLTOJY-ZCTHSVRISA-N	548.064	5.649	50	40	KKGB	
CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	408725657	MBJKBWUYLYMUTB-CHHVJCJISA-N	546.188	6.046	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	408736855	JHZULPYCWOYJHO-PVAUPGOGSA-N	562.670	6.344	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)o2)cc1	408742527	PNSHOQWSJMQQAH-XPGZBYHPSA-N	579.656	8.012	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408745774	PBRLZWADFGTYFF-MFOYZWKCSA-N	589.773	5.986	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1I	408746703	FVKWBCHRVVNBTO-DHRITJCHSA-N	501.368	5.088	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)ccc1I	408747183	KDKYTZHKEAQPGS-RPPGKUMJSA-N	687.228	5.164	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747666	RGSIOGOCYKJJHD-LJUMEUDFSA-N	594.849	5.976	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl	408756077	TWBYIINJSWUNGG-ZROIWOOFSA-N	597.230	5.977	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408759227	ACKRCYFUVFLJSZ-NVNXTCNLSA-N	645.156	7.140	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1	408759427	DVFHWSUXBFUXLW-XDHOZWIPSA-N	648.329	6.010	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c1	408789809	LWIAPGJYUUKWHC-YDZHTSKRSA-N	684.315	7.791	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Br)cc1	408789981	PIPHBZXQGQYRKU-HMAPJEAMSA-N	505.412	6.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccccc1C#N	408791654	AHACQFOVKCHNNM-WSDLNYQXSA-N	516.395	6.153	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OC	408792245	AAMUDXIZSACJMV-DEDYPNTBSA-N	507.384	5.981	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1	408793375	DZTRSDUAXKZCEV-HYARGMPZSA-N	515.522	5.295	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1	408799076	XXQPWNLEYRHUEN-CPNJWEJPSA-N	504.373	6.329	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1OCC	408819106	ZMTVTSQYSURPQO-CIJDEGAQSA-N	573.049	5.220	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408824030	PCIJISZUFAPEFV-CVKSISIWSA-N	678.954	8.274	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)ccc1OCc1cccc(Cl)c1	408829783	LZPXDOFJFKYIER-ALQBTCKLSA-N	610.107	6.111	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1	408830540	NPTMKKMFCKTPSF-DPNNOFEESA-N	625.534	5.741	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(F)cc1	408841029	HFMPFDHSCJPHHI-ROPCREHHSA-N	572.584	6.715	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408843083	LNGYPZMFDVMXFA-LALXJTNGSA-N	647.200	9.410	50	40	KKGB	
COC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1	408845783	HKZFNBVTUBTRGM-LQNQUEJISA-N	546.421	5.531	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(Cl)cc1	408848003	WMGRMEWCTBFXIQ-HIWRWHBISA-N	575.012	6.839	50	40	KKGB	
Cc1oc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1Br	408861455	ASUKODMKQOFLNK-BHGWPJFGSA-N	545.242	5.003	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(C)cc2)cc1OC	408863600	NWHFMPUUCBJWDX-ALQBTCKLSA-N	651.141	5.029	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2cccc(Br)c2)cc1	408864091	SRFUHGZXIYDTOR-DPNNOFEESA-N	653.530	5.260	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408864805	ZOHIEEYZUMNRRN-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	408865697	DNWJYHDCPMKRJN-NDZAJKAJSA-N	578.488	5.374	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1Cc1ccccc1Br	408867930	KRKOLWQZMVHVEI-VCHYOVAHSA-N	574.700	7.319	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1Cc1ccccc1Br	408869054	QMNLIZGERZNJMV-CIAFOILYSA-N	509.831	6.946	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408873537	VQSAZERESWHNRW-ZRGSRPPYSA-N	508.199	6.107	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1	408874909	GFSFGZAHBKRLOG-BIZUNTBRSA-N	638.540	5.634	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408884347	UCULOCHQZRADBM-NDZAJKAJSA-N	534.037	5.265	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	408888388	ZLZCBSVFVBNRDN-JJIBRWJFSA-N	603.494	6.650	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408889304	CGKWIGWUUODAMB-STBIYBPSSA-N	523.010	5.732	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OC	408893015	DXUZFAPGDRSNBX-NTUHNPAUSA-N	528.628	6.126	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)ccc1Br	408908339	RMKMLVADAWTONW-UHBFCERESA-N	511.423	7.069	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1	408943302	HNHUDADJRZFFFX-MUUNZHRXSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	408950946	SRIPJVGCFLYXKK-LJAQVGFWSA-N	657.576	5.466	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCC(=O)Nc1ccccc1	408959989	BMVLNZXYNTXMRM-CCVNUDIWSA-N	581.379	5.284	50	40	KKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)oc12	408969230	JRVHMZLCTBUVEP-KVSWJAHQSA-N	548.220	6.854	50	40	KKGB	
Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)cc1	408972259	QJOCZGGWCOBEEN-RCCKNPSSSA-N	527.562	5.529	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c([N+](=O)[O-])c1	408988579	DVCLJKISKPRBAB-LDADJPATSA-N	544.614	6.387	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408991918	PFBJJBUFSWLZLK-DFOCJDSFSA-N	703.202	7.589	50	40	KKGB	
O=C(COc1ccccc1I)N/N=C\c1ccc(OCc2ccc(I)cc2)cc1	408993674	WRDAQCIYUPNNHH-MXAYSNPKSA-N	612.205	5.004	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(I)cc1	409027449	CONQTQVHGGZQNM-CVKSISIWSA-N	602.281	5.334	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409030444	DLHKLVAGAGYOMW-DLCNMLRHSA-N	544.413	7.691	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409086492	ZUTLUSPJBFAMBQ-XDHOZWIPSA-N	559.491	5.876	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc(Br)c1OCc1ccccc1	409120177	VRRNFEVNBISMQD-FLOSOGMCSA-N	513.457	5.976	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Br)c1OCc1ccc(Cl)cc1Cl	409124948	CMTNRRRIPUMFEB-FQEVSTJZSA-N	550.240	5.983	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1Br	409142890	DIUNFHHTCCWLIW-RPPGKUMJSA-N	529.188	5.132	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(C)cc1C	409157256	VCHPYHCLNYSMFC-AMVVHIIESA-N	557.434	5.115	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(C)c(Cl)c2)cc1	409185645	NVKXTKCKTGWTPL-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1ccccc1Cl	409187397	PYVMKEAKINCECR-CAQPMQTCSA-N	533.024	6.955	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409219611	SEZXFAMDAXMDND-XBWROJKBSA-N	632.500	7.036	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409224578	LFSOSUWAJFEENN-CXUHLZMHSA-N	585.798	5.582	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1	409247989	JFINPGCTDHDRLW-VBNMEBLOSA-N	574.700	7.228	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409260687	URFAPDBNMHHQHS-MTJSOVHGSA-N	503.986	5.837	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)ccc1OCc1ccccc1	409267952	XECUBNGIIJTACW-WBIBEUCMSA-N	707.565	6.676	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)ccc1OCc1ccccc1	409303166	LXJIPHBGLUCLPR-FZPRHHONSA-N	667.354	6.581	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OCC	409306168	YQWMVPBZUKGXFS-ACXHZZMFSA-N	558.462	6.271	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OC	409318197	XNKPSLDCDAOZJR-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cccc([N+](=O)[O-])c1	409372063	RKYKMPBZFGJMTI-NVMNQCDNSA-N	527.274	5.751	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	409373172	NYQZZKRHZDARFN-WKULSOCRSA-N	533.378	5.652	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(OC)c1	409373926	WJFUEYBXURPIFR-DPNNOFEESA-N	569.455	7.116	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	409379552	XQZAJNZNDAJSSW-CPNJWEJPSA-N	520.383	5.329	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409381517	HINHJIIMBBVFHH-XDHOZWIPSA-N	507.930	5.737	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1cccc(F)c1	409385996	NCNXOVRZGXOPER-XODNFHPESA-N	572.412	6.453	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409394466	AURPCOUBSWPLSS-UHFFFAOYSA-N	625.281	8.026	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(C)=O	409394533	BTEZWAVHYNDFCZ-UHFFFAOYSA-N	626.463	6.514	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)cc(OC)c1OC	409395196	KVVPWSAYUMCDGM-UHFFFAOYSA-N	741.820	8.022	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409396244	XGOOATBKFSQQIN-UHFFFAOYSA-N	695.751	7.725	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409396399	YCQJGABJIMWHTR-UHFFFAOYSA-N	777.638	8.601	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccccc4c3-c3ccccc3)cc2OC)cc1	409397373	JEUVUDNVYSXFMW-UHFFFAOYSA-N	519.557	5.835	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2[N+](=O)[O-])cc1	409400403	CUSDZYTVFRYAGL-FZKWRIDDSA-N	578.625	6.826	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)Nc1ccc(F)cc1	409401049	GDZCFQWFWMGFFT-OCUJFKKWSA-N	768.434	7.720	50	40	KKGB	
C=CCOc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409404538	QEFNQDAHYBZXQI-MNBJERMJSA-N	558.591	5.902	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3ccc(Cl)cc3)o2)cc1	409409651	PRZAEHQRKJFRMI-ACMDXVBWSA-N	628.512	7.956	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1	1529547670	NZERTXKEAHCJIK-YMEQDBNJSA-N	637.158	5.121	50	40	KKGB	
CN([C@@H](c1ccccc1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)[S@](=O)C(C)(C)C	1857795129	NYESSIWTNJZMIH-PSLXYLBZSA-N	617.795	8.360	50	40	KKGB	
COc1cc(Br)c([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC	1082006	PGLQIJCDAXDIOU-OYLFLEFRSA-N	513.819	6.005	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	1438105	NCZSKLUSVIVSGS-AREMUKBSSA-N	514.676	6.017	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc3ccccc23)c(OC)c1	1439563	NPZLPNXZZZYJSC-LTGZKZEYSA-N	506.514	5.400	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@@H]1c1cccc(OCc2ccccc2)c1	1758297	KRPBGDCDQSREIV-NDEPHWFRSA-N	566.683	5.820	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)NNC(=S)Nc3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2327774	BESWFDOGHJPJDB-UHFFFAOYSA-N	530.723	5.650	50	40	KKGB	
O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cc(Br)cc(Br)c1O	3167604	AGQCGOHWGZBYKX-NUGSKGIGSA-N	557.036	5.362	50	40	KKGB	
O=C(NNC(=O)c1ccccc1OCc1ccccc1Cl)c1cc(Br)c(Br)s1	3374670	DYJXXEWPOWLQQW-UHFFFAOYSA-N	544.652	5.580	50	40	KKGB	
O=C(O)c1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21	6445635	WHONIVQSYJOJLV-PYRBGSSCSA-N	559.869	7.094	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	8406105	NIXJDDAJTWNLMW-DEOSSOPVSA-N	535.069	5.683	50	40	KKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(NC(=O)c4ccco4)cc3)c3ccccc3n2)cc1	8454660	LWBHGMLGJQHUQY-UTMLYNKZSA-N	530.628	7.415	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(C)c(Br)c1	8812670	YUDWJUNPQLEFDS-DNTJNYDQSA-N	505.004	5.055	50	40	KKGB	
CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cccc(Br)c2)cs1	8818304	AVNQQNJJJPUIFA-KNTRCKAVSA-N	510.457	7.286	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3c(Cl)cccc3Cl)n2-c2ccccc2)cc1	19849221	COTJVKFHRRWDGR-VYYCAZPPSA-N	512.422	5.492	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	19946775	VMEZPXRMJFTTDV-NDEPHWFRSA-N	508.647	6.010	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	59855884	LXEIEWIAANEEMN-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1OCC	59884909	JBJONZTURFCZJP-VTNSRFBWSA-N	596.027	5.668	50	40	KKGB	
O=c1c2c(Nc3ccccc3)cc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)nc2n(-c2ccccc2)c(=O)n1-c1ccccc1	95670630	XKUPNECEHPRVGJ-UHFFFAOYSA-N	681.736	8.089	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	97951241	HSKQKBNFOODWKV-NDEPHWFRSA-N	544.076	6.460	50	40	KKGB	
N#C/C(C(=O)NCCNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1	97966691	RMSPYVUZBJYRHN-KHTSWJRXSA-N	793.758	6.779	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])N1	98000124	NSFRFDLHUOHMJJ-MHZLTWQESA-N	575.046	6.059	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C(C#N)[C@H]2c2ccco2)cc1	98048633	CBGIFZZJEQABPR-SANMLTNESA-N	566.605	6.567	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc(Br)cc1	100062240	RNKSCKVMURUYGT-LGJNPRDNSA-N	532.232	5.872	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)c1	100100747	RVQGVGMQBZKUTC-RPPGKUMJSA-N	529.460	5.765	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccc(Br)cc1	100178491	ZAKPOLKKBDKZJR-NSXLFHFSSA-N	610.895	6.069	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc(OC)c1O	100836311	JVRNGDMTQTVAMM-MZJWZYIUSA-N	530.050	5.069	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1	100852194	MGRPMFIVOLOXDH-YRRMYEEHSA-N	573.766	7.840	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1	100858941	GKVSOKSINOEXBK-JFLMPSFJSA-N	542.503	5.772	50	40	KKGB	
CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1	100865367	RDPYCLLHLAKSQK-MIXAMLLLSA-N	534.041	5.454	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	102808107	VRXYEQYMJLNWPV-MHZLTWQESA-N	561.063	5.761	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	102932886	CWTCGTOALODLPN-LDADJPATSA-N	576.790	6.929	50	40	KKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	103891141	IDNFZFQXOWSBJP-VBKFSLOCSA-N	523.807	6.786	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1OC	103897424	KISOCKATYLZGIV-MUFRIFMGSA-N	606.926	5.406	50	40	KKGB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NNC(=O)C(c2ccccc2)c2ccccc2)cc1	103921921	VSSNJTPSGLHPDP-IADYIPOJSA-N	546.627	5.182	50	40	KKGB	
ClP1(Cl)=N[P@](Cl)(N2CCOCC2)=NP(Cl)(Cl)=N[P@](Cl)(N2CCOCC2)=N1	104382633	BKVIZHZTUMEHDQ-WMPKNSHKSA-N	564.870	7.882	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccc(Cl)cc1Cl	104954086	FVWIRXQELYMYEU-CXUHLZMHSA-N	522.215	7.433	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl	408532296	QFDXIMLLZIMYSC-XODNFHPESA-N	563.823	5.403	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539819	JWYRUPKUKNZKBD-HQDYHJHZSA-N	579.480	7.323	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2OCC)ccc1OCc1ccccc1	408540914	WXPKOXIUAVIZCJ-YSMPRRRNSA-N	661.980	8.604	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)c1nc2ccccc2[nH]1	408551089	AYYDQQYYWYKCAF-OQLLNIDSSA-N	542.220	6.714	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408551842	GMSNRQDVCZJMCZ-VCHYOVAHSA-N	593.459	6.303	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2I)cc1	408551945	PHURCPWGJHDCNG-VXLYETTFSA-N	705.359	7.141	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1OCc1cccc(C(=O)O)c1	408555896	ZNYQTFFPUQLQRT-DEDYPNTBSA-N	513.575	5.330	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccccc2)c(I)c1	408568228	ILFQGUOCDIEOHB-JFLMPSFJSA-N	590.508	5.878	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408568592	KPGURVAAPXCMMC-XAZZYMPDSA-N	703.451	7.583	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408579403	GYWHGQYFGGTDNR-SRZZPIQSSA-N	539.857	7.200	50	40	KKGB	
O=C(NNc1cc(Br)ccc1OCc1c(Cl)cccc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1	408602396	DHZFKMCBYWUZCD-HNNXBMFYSA-N	549.252	5.831	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	408606408	LXIYLFARGMCOEN-CQSZACIVSA-N	522.791	5.861	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	408609836	LRZDLOIQEQTCLS-LUOAPIJWSA-N	511.192	5.968	50	40	KKGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408719283	BFUZXBFUPXRESD-LGJNPRDNSA-N	503.849	6.065	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1	408744919	IFVDNNNLWPRVGY-YVLHZVERSA-N	607.217	6.326	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)cc1	408746294	RNHDCJNBLZGCMC-ULJHMMPZSA-N	512.009	6.881	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccccc3Cl)cc2Br)ccc1I	408747917	VSHNOZRKNYPUDW-KKMKTNMSSA-N	629.676	6.067	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(Br)cc1	408748001	WXSUDNQHTLLUSL-NDENLUEZSA-N	688.157	8.094	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1	408748468	ARCWWPRSVCKECF-XICOUIIWSA-N	595.493	6.576	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	408755887	WPYUZFSOLMAUJS-VATWTLTGSA-N	522.454	5.405	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)ccc1Br	408759551	GWVKFCYWSNNLMS-WQRHYEAKSA-N	513.233	6.473	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OCc1cccc2ccccc12	408764534	UMXHPNKPBPQQMC-JBHZFQRDSA-N	699.611	6.184	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1c(Cl)cccc1Cl	408779761	KAWWPGTWPCUNMK-DHDCSXOGSA-N	550.211	7.028	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1	408785959	CQCJTAUCZMCDJQ-JCMHNJIXSA-N	566.883	5.946	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408787606	COGLYIPILUGXOM-LFVJCYFKSA-N	665.325	7.757	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(I)c2)c1C	408790325	OXQPWRSIDICXKI-UDWIEESQSA-N	526.349	6.172	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(F)cc1	408792612	BFPLZVIJOHKNMY-WOJGMQOQSA-N	621.244	6.716	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408793200	DLCSZEGPWGXXNZ-UDWIEESQSA-N	661.290	6.120	50	40	KKGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br	408793620	FWIXOHGDDWYJMV-DEDYPNTBSA-N	521.367	5.126	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1cccc(F)c1	408797608	SNVZSWVLRZVVLR-RQZCQDPDSA-N	515.766	6.375	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1	408823470	DKIZXPQDJJVEMB-QJOMJCCJSA-N	546.048	6.178	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408825746	FLWYSBYXPUZUFE-JEPNHJGPSA-N	652.169	5.989	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408835034	WQYRUCVOCXECIM-AFUMVMLFSA-N	628.479	7.378	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1Cl	408836163	ZDZBCDJECSQCNI-ACXHZZMFSA-N	615.495	5.075	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1ccco1	408838836	JCOQUHJSVWTMFK-WEPXRCGISA-N	523.545	5.313	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)Cc1ccccc1	408839142	NSUCVQGTGLTALI-ODNPBWNPSA-N	691.003	7.880	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc2ccccc2c1	408839605	UQGLARNIZLOLAE-FDALDRLYSA-N	598.728	8.367	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2Cl)cc1	408841783	LIMIHCSTDNBDJA-IIHBXENTSA-N	593.458	7.793	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5C#N)cc4)cc3)cs2)cc1	408843550	MAVZVSCEFSHPII-ALQBTCKLSA-N	543.652	7.077	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1cccc(C)c1	408849470	YZKYDXYWWNEHBP-FABQOPTDSA-N	590.463	6.936	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(O)c(I)c2)cc1	408852866	WPJIBUPWFXSPMB-YUMHPJSZSA-N	521.358	5.527	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408858283	OAUHLGOZUNACAU-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408862412	YOFWWBMSNHAAJJ-VTNSRFBWSA-N	687.956	5.944	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	408863938	REIYLAHYISNMNT-BQAIUHRNSA-N	521.642	5.804	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1)S(=O)(=O)c1ccccc1	408864733	YTUPWIQAQKSNFB-ALQBTCKLSA-N	671.013	6.598	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408871979	IQFXLCGYXYGEPT-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408877319	URIFCWKXTVFRLA-HNSNBQBZSA-N	636.568	5.999	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OC	408879514	DXJHSNIZXVORSZ-XCVCLJGOSA-N	548.120	5.069	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccccc1	408879544	BSMBGKRENFOVKQ-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3cc(C)cc(C)c3)c(OCC)c2)cc1	408880269	HAIAKGBHPFLBHL-OEAKJJBVSA-N	580.466	6.842	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc2ccccc12	408880444	JDKRGBHDNMHUFT-HZHRSRAPSA-N	516.519	7.382	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c1OCc1cccc(Cl)c1	408882319	QRSHIKJRCQMUOM-LDADJPATSA-N	544.776	6.078	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	408884171	WCRKIWPOHQVZHJ-ZHSUKTGHSA-N	612.475	7.364	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408884682	YCNQGFLQMXOFGQ-LDADJPATSA-N	540.981	5.059	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccccc1	408887038	LNNXJONGGFWWEL-RQZCQDPDSA-N	542.773	6.144	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc2ccccc12	408889277	BJPORVHNETXYGN-MUFRIFMGSA-N	503.942	6.143	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408889615	HUGHZCCTZKIPNE-YRNVUSSQSA-N	517.679	5.725	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408893797	FTPFSODQFORCLE-GIJQJNRQSA-N	571.225	6.553	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=N/NC(=O)c3cc(Br)ccc3OC)cc2OC)cc1	408898971	YUADQGNDELFGQC-UVHMKAGCSA-N	639.240	5.063	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Br)c1	408905125	UAONRWSBDRWMAS-PPDIBHTLSA-N	587.224	6.517	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)ccc1I	408968442	YVYNVIJNQJFYPH-VYYCAZPPSA-N	524.362	5.019	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC(C)C	408968624	AKDIOLXLFWMRSF-CKYMWFABSA-N	678.395	6.232	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OCC)c1)c1ccccc1	408978636	JMWNBONIOWANSK-XDRVCWSLSA-N	568.468	5.754	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc2c(c1)OCO2	408981337	AKPFVXRLRUPPCP-OCKHKDLRSA-N	569.839	6.663	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1	408989216	HHPXLMHAMYPLSP-SFQUDFHCSA-N	517.958	5.229	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc2n1Cc1ccc(Br)cc1	408992155	SCXYWUPCQOCNLA-OTEQHGRUSA-N	613.516	5.471	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	408997145	LDCUJVSUDZKJMK-FDAWAROLSA-N	527.964	5.584	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc(OC)c1OC	409004109	WPSFMCBEODHDTB-HNSNBQBZSA-N	567.598	5.256	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409062858	BXLGNTNLVRDAIZ-RCCKNPSSSA-N	543.580	5.013	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409077173	CSFUBWQMEUYCLD-LDADJPATSA-N	511.456	6.659	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409113193	HBFNRJYYNMQRPW-UXHLAJHPSA-N	558.100	5.490	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12	409141722	BMZRXOYNWHJUHD-XDCPRBRUSA-N	625.468	5.797	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C2=C1CC(C)(C)CC2=O	409143935	ONVPAZBDVZVEJM-VWLOTQADSA-N	556.490	5.964	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	409163048	LDEZQVRSKAWGAO-WKULSOCRSA-N	563.279	6.594	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C	409165008	QXPDGWFJRLLTEZ-KLPHOBTLSA-N	656.748	6.223	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(OCC)c2)cc1	409174109	SAUDUGJPIPADLH-KCSSXMTESA-N	581.069	5.332	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1	409225019	NYKWLCOBNTZPIV-HQDYHJHZSA-N	618.042	5.610	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409246538	CNDYJAJGSFPHCV-JLPGSUDCSA-N	576.491	5.830	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409256311	NMZBXJSMMUISOZ-BKUYFWCQSA-N	517.969	5.307	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409260377	PNSQHNYMXHXWTL-MTJSOVHGSA-N	548.437	5.946	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)cc1	409266660	QSHIIRLIRDEJKK-ODQASSKESA-N	665.002	8.604	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl	409271319	USWZEPXTESHILK-LICLKQGHSA-N	514.796	6.518	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)ccc1OCc1ccccc1	409313064	BDIXPJUKJWRKNO-BJUCDSOZSA-N	642.319	7.281	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OC	409314123	RIHDLBXLKUSMDM-LJUMEUDFSA-N	598.494	5.735	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(CC)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409317556	VIYIQQAXKLINJE-FCHUYYIVSA-N	562.475	5.064	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1	409329813	GWCYPYZOMHUXHI-UHFFFAOYSA-N	601.172	6.426	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1ccc(Cl)cc1	409371924	BRPBYRVOYMHNIP-WCMJOSRZSA-N	523.416	6.897	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409392185	NUONACOCILDMJG-IPHFVPNQSA-N	579.494	7.472	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409394755	FLKYZALTMVYESB-UHFFFAOYSA-N	655.763	8.849	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccco1	409395032	JAJRBIFGHABLGK-UHFFFAOYSA-N	641.703	7.589	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)[nH]c12	409395913	TXXQIQJSUFONHV-UHFFFAOYSA-N	710.220	8.414	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409398084	QIXDBEPRSJWOOM-UHFFFAOYSA-N	546.385	7.264	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(C)(C)C	409403431	MWXNDEFCEDGMGR-MZFJOGFUSA-N	529.637	6.606	50	40	KKGB	
CN([C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C	1857794962	AEPFTTAAOMKDCM-KVBUJHEKSA-N	621.627	7.966	50	40	KKGB	
CC(C)Cc1ccc(-c2n[nH]c3c2[C@@H](c2cc(Br)c(O)c(Br)c2)C(C#N)=C(N)O3)cc1	985878	WLLJBHWFNUUMDY-SFHVURJKSA-N	544.247	5.724	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1	1067731	LOIOZXBKOZRTFP-NDEPHWFRSA-N	559.091	6.364	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccc(Br)cc1	1783495	WNSQRLPYIIIBDB-WUIOEYHCSA-N	595.519	5.083	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccccc1Br	1808619	QNKRKIHCHFFQNS-ZVBGSRNCSA-N	513.895	5.489	50	40	KKGB	
COc1ccc(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Br)ccc4n3)cc2)c(OC)c1	2593832	JQVWHWCFGQXWGZ-ALQBTCKLSA-N	596.481	6.878	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccccc1F	2738705	GWBPPANORMXRPY-DXRBVMPTSA-N	509.010	5.303	50	40	KKGB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	3275092	QHVFHZNWJPSLHU-XJECJHNESA-N	562.979	7.349	50	40	KKGB	
Cc1ccc(NC(=O)N(NC(=O)c2ccc(C)cc2)c2nc(-c3ccc(Br)cc3)cs2)cc1	3768090	RKQOKLKTVAKUCP-UHFFFAOYSA-N	521.440	6.573	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F	6177850	XRJSURKQEPEMKI-OGEPBOSOSA-N	576.644	6.651	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	9311058	FEFFQHLRYVUWHX-XMMPIXPASA-N	521.067	6.108	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	15223469	JULYYXMSJQCNCK-ZCTHSVRISA-N	528.678	5.052	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)cc1C	20243765	JNINPLIJOMBTPT-WFMQBCDOSA-N	518.908	6.758	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	58916875	VUTDLRKCYNPWSG-DNDVPWARSA-N	502.083	6.940	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	59853276	YUSLEPHCAOABFR-QNKGDIEWSA-N	603.697	5.027	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccccc2Cl)cc1	59856291	OAGUWAKCLRCWKA-FDAWAROLSA-N	552.483	6.461	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)cc1	59884023	WHGHEEJNXAOQRO-LGJNPRDNSA-N	526.829	5.001	50	40	KKGB	
C/C(=N/NC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1	97965865	AAPXZCDELMFYMB-CLHYIUPASA-N	633.979	7.336	50	40	KKGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1	98001164	LSHRIKXZNSIYKB-APTWKGOFSA-N	570.443	5.067	50	40	KKGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1	98001638	DMZFUPQLEZBLOV-LUOAPIJWSA-N	686.107	5.639	50	40	KKGB	
Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2nnc(SCc3ccccc3)s2)C2=C1C(=O)CC(C)(C)C2	98007277	MNZAFPPKCGCBSE-GDLZYMKVSA-N	554.701	5.186	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3)s1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21	98007278	AWYXTIOBTGFHRV-MUUNZHRXSA-N	558.664	5.017	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1	100118996	BVXRZYXVRDMYCV-AMEZEBJKSA-N	587.543	6.395	50	40	KKGB	
O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	100261152	LXSXENIHHJSWCM-VWJSQJICSA-N	586.364	6.801	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	100336218	LXLUOSHEKKQPLX-PXNMLYILSA-N	566.666	7.543	50	40	KKGB	
N#Cc1nc(-c2ccccc2)oc1N/N=C/c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1	101411105	WDYFHSCJLBNRDQ-DZTJYMNTSA-N	625.649	5.103	50	40	KKGB	
N#C/C(C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)=C1/NC(c2ccc(Cl)cc2)=CS1	102949277	LOSHWYYYBZGLGA-URGPHPNLSA-N	527.093	5.686	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889062	XFEAUSVWLHNRRI-YBEGLDIGSA-N	520.185	7.020	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)COc4ccc(Cl)cc4Cl)cc3[C@@H]3C=CC[C@@H]32)cc1	104699353	ACLVZCVLLBEZTJ-BTQGDNAXSA-N	564.469	6.526	50	40	KKGB	
CCOC(=O)[C@@H](CC(C)C)NC(=O)c1cc(SC#N)c(C)c2c1Nc1c(c(C)c3oc(=O)c(C)nc3c1C(=O)N[C@H](CC(C)C)C(=O)OCC)O2	150383047	XANXZFNCXKCALC-DHIUTWEWSA-N	721.833	5.951	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1Cl	150385827	NSRQTAYGVMURFO-ZMGVVAQMSA-N	648.410	6.505	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Br)cc1)N2	150434675	ITEUNMLJIJCQRD-DJBZMEIGSA-N	694.003	8.402	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(Cl)c2)cc1	408538667	BIBCXWUFLSWUTK-DBSPGSINSA-N	605.562	8.657	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2OCC)ccc1OCc1ccccc1	408538690	PDQQSZDDZFGOCK-QRQIAZFYSA-N	641.562	8.259	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)c(C(=O)OCC)c1C	408547180	TXOCQRSOCWOQKB-FYJGNVAPSA-N	552.048	6.361	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550902	IFVBQSQGYBEVOL-YBEGLDIGSA-N	530.795	6.219	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551657	LUEODZCVTVQBAP-GZTJUZNOSA-N	507.377	6.350	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553124	XPFDYIHCEBDFSX-DJKKODMXSA-N	716.342	6.704	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12	408566887	BHYNYYKZFAPBPZ-FJEPWZHXSA-N	548.665	5.427	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408609638	KTUZVFZFKFQWRV-FJEPWZHXSA-N	514.409	5.046	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1C	408648708	KDAUBTVVXIMDAL-AMTYWOJFSA-N	657.186	5.628	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	408653010	PLOSNLVHJFUXJL-OZTQZWFPSA-N	566.268	5.692	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408657121	UCCPTXBCEMTETG-CPIJNGAXSA-N	675.176	5.495	50	40	KKGB	
O=C(O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	408674016	XCSCBNXVDPONQL-AHKZPQOWSA-N	642.289	7.698	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccc(Cl)cc1Cl	408723245	RYPISUFBBSSCSO-QIIRSOPZSA-N	600.889	6.613	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408727922	ZJAAFLHRFPGZDL-RPPGKUMJSA-N	581.648	6.045	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408743945	CQNNJVGMUVEYAJ-UCQKPKSFSA-N	513.391	6.736	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(I)c2)c1	408746113	QZAOGORODBTDEQ-BKUYFWCQSA-N	538.385	6.123	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	408763783	KDMVZSNRBCUVQP-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccccc1	408776176	MXRLDRRHBNMQCN-QDTIIGTASA-N	507.306	5.819	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1	408788608	LOUKFXRZVGWLAX-KEBDBYFISA-N	642.247	5.837	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408789398	PTDSNAIPFVHTBM-LICLKQGHSA-N	559.747	5.977	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1F	408793185	DIVRSDQMRXKVPC-RGVLZGJSSA-N	556.375	6.180	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1)c1ccccc1	408795798	WGTTVSJFLYPRKM-ISPGYRLHSA-N	504.384	5.251	50	40	KKGB	
COc1c(I)cc(I)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	408796831	ZGWPNBPMVZRNTP-LFYBBSHMSA-N	578.575	5.412	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC	408799021	XPEZXMKATUCXGV-XNTDXEJSSA-N	506.194	5.721	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3c(C)ccc4ccccc34)c(OCC)c2)cc1	408810381	JNYJWAUVPBAPPE-LFVJCYFKSA-N	632.498	7.675	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408823560	DYUMOIJNQVRYPB-JVWAILMASA-N	690.432	8.931	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2cc(Cl)ccc2C)cc1	408830914	UFQGIIHUOYUCTM-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408835898	ZRVKPSXTPXCSDB-VULFUBBASA-N	727.426	9.317	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408844247	VMJVMFJICIRNQJ-ALQBTCKLSA-N	635.142	5.329	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12	408863532	PBFAKMNUGFBASQ-IADOGKPESA-N	592.117	5.774	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cc1ccccc1Br	408867506	LECQPVWHSDRCJQ-VCHYOVAHSA-N	516.222	6.901	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Cc1ccccc1Br	408869899	SPXMECNKXWKZJK-WOJGMQOQSA-N	530.249	7.291	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Br)cc1	408872986	QHTNJMDZVAGVMP-LRSBSUGWSA-N	564.318	6.466	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(C)cc2)c(OC)c1	408874577	CAXATSKIBYOXSJ-LPYMAVHISA-N	552.412	6.295	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408890623	WQZUDCRVVIBTOX-LICLKQGHSA-N	530.205	6.829	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408891472	RCNDGPOINOSHEW-LZYBPNLTSA-N	587.770	6.052	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408897749	SXKXGTWSWSKTCH-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccccc1F	408899140	NNMDIBCPCBRTKJ-LICLKQGHSA-N	546.311	5.703	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Br)c1	408904501	KKRQISFVNQLBSL-ZMFRSBBQSA-N	508.328	5.755	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2c(OCc3ccc(F)cc3)ccc3ccccc23)ccc1Br	408905080	STOVFCNSGMJFSR-FDVSRXAVSA-N	506.375	6.784	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925888	UQODUPPXYVCQAR-CXUHLZMHSA-N	628.412	6.293	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	408926130	XTSQGFFSNQHGDY-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Cl)cc1	408946985	NFVDKBLUFXDZGO-YTTGMZPUSA-N	677.223	5.931	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)c(OC)c1	408951336	IPIUITBFMUXZSB-LSTDAIIBSA-N	777.012	5.651	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1cccc(Cl)c1	408953834	YIMISKSZNKCBNU-MUUNZHRXSA-N	702.027	5.575	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccc(Br)cc1	408974347	YCUDYTPJMTWSPH-MZJWZYIUSA-N	509.356	5.555	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409032551	JGLGRXKJTZCJOX-MJXLXAJKSA-N	614.883	7.389	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081450	PEUIDGATRFOKRD-OQLLNIDSSA-N	657.770	7.608	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1	409087784	ZQANDCMIETVUOW-NTUHNPAUSA-N	517.256	6.287	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	409184917	IMXOAZWTPSPXEO-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)cc2c1	409187389	PVHQINXUPYUHTR-FZKWRIDDSA-N	580.710	7.196	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1	409200413	ICLUUQHLIGDZIR-MZJWZYIUSA-N	580.875	6.165	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409223179	FNPBVRCIZPXQDS-KYHGBAKBSA-N	562.409	6.237	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409244214	ZQCYJEQSGQSDAQ-YVLHZVERSA-N	566.292	6.574	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccccc1C	409251125	OORHAUFWQMISGX-WOJGMQOQSA-N	554.828	5.983	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)ccc1OCc1ccccc1	409253847	CHMPJGOAFHIGRX-CLHYIUPASA-N	674.592	7.224	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409256808	QCBFPCZPQYOHTD-DBFSUHOCSA-N	623.729	6.354	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409258158	RSEIMBKPOHJVDK-XDHOZWIPSA-N	505.958	5.316	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OCC	409310994	DMAHFCRXXMECQV-LQNQUEJISA-N	556.015	6.177	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1OCC	409312241	KESVQGRWIGSNSS-UHBFCERESA-N	606.432	5.969	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409321491	SZAVEVKGGUMKAC-PMACEKPBSA-N	568.866	5.155	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)ccc1OCc1ccccc1	409324800	VRIFTHGHYHBVMR-ZMFRSBBQSA-N	548.231	5.659	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OC)ccc1OCc1ccccc1	409326101	GUTHHGSROHDKAT-VYYCAZPPSA-N	562.258	5.962	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1cccc2ccccc12	409369018	XTGHIZLYLLSRGP-WKULSOCRSA-N	615.265	6.558	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Br)cc1	409371583	IEWWCKNUYIGTHT-PPDIBHTLSA-N	634.177	5.860	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C	409373195	OJCLLKAKZXLATN-BIZUNTBRSA-N	550.640	7.079	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(F)cc2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409373244	STGAHBUQYWXYHB-DBFSUHOCSA-N	536.456	5.399	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409379242	WCHHGEBJOYAMQH-MUXKCCDJSA-N	516.381	5.182	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccc(Br)cc1	409394185	WVYHULQAHPIVNN-GRSHGNNSSA-N	531.219	7.393	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1OCC	409395706	QVFROCIAQAHPBO-UHFFFAOYSA-N	660.952	8.031	50	40	KKGB	
CC[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409399104	HWQGPVMRLVQXPH-OFSKBFHASA-N	594.506	6.978	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2[N+](=O)[O-])c1	409401113	GKTNIZPECDGXEG-AEUUOICLSA-N	657.521	7.588	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(C)cc2)c(I)c1	1529548159	YIUZVOZOMYUCSN-DMFIQNIRSA-N	824.479	5.668	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1	1529549185	URPJGPRSURLNOF-JKYKOXDNSA-N	750.897	6.329	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c(F)cccc3Cl)nnc2-c2ccc(Cl)cc2)cc1	1900074	IYRVWFYEPOWISI-IPPBACCNSA-N	544.439	6.021	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1	2214096	ZIIGXZBUFUDAEY-OKCVXOCRSA-N	529.021	5.443	50	40	KKGB	
N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12	2418598	INQCDVDLKIYMNJ-XIFFEERXSA-N	539.570	5.598	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(Br)cc1OCc1ccccc1Cl	4047765	YQYOVBIWCIGPDR-MUFRIFMGSA-N	538.829	6.245	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	8811156	XEBIRAALGUTDHR-MZJWZYIUSA-N	513.934	5.007	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1	9113160	STSPHZWUJBYCHQ-MUFRIFMGSA-N	502.368	5.384	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	13297901	IELRFTCGAHTHSI-AREMUKBSSA-N	517.651	5.531	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	14361374	GLZJEJORZCPFIE-XHTAEZHFSA-N	529.559	5.723	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	100065169	GTVSIUWTHLUNGC-WKULSOCRSA-N	544.382	5.748	50	40	KKGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	100229072	SQPDIZYABMVPOH-RIXJTDKTSA-N	570.325	7.220	50	40	KKGB	
COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccccc1	100286689	RHWWYUWPZYQLDZ-LGJNPRDNSA-N	571.280	5.110	50	40	KKGB	
CC1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@@H]1[C@@H](Cl)[C@@]1(Cl)C(=O)N(c2ccc(Cl)cc2Cl)N=C1C	100365870	LKVYETOLTJCHBV-WAOWUJCRSA-N	567.087	6.647	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1F	100580504	ILDNFYPFDZKBEQ-LICLKQGHSA-N	530.191	6.475	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1OC	100879152	DQLJLLAZPYFBTD-DEDYPNTBSA-N	544.504	7.554	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccccc1	103776331	WBLVUZZCLJLZFS-YVLHZVERSA-N	577.191	6.317	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	104166650	LTMONRGEWCBNLW-CLIDGEQKSA-N	514.839	9.699	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc2ccccc12	104225854	DIUPSVGNQOPKRG-BZFSWPTRSA-N	579.700	8.348	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc12	105508898	AWSXRQIEIAHJQR-RWPZCVJISA-N	534.366	5.862	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	112264182	KWBBLJNEXHULBB-RPPGKUMJSA-N	546.215	5.212	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccccc1F	113833204	BHEUIFMMCMTKCY-LICLKQGHSA-N	525.321	5.958	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)[C@H](Br)[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C	123209376	MAIKGBHVJKDTPG-DIULHQAZSA-N	583.560	5.260	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164738310	VZLOXOLRIQNVNL-NSIKDUERSA-N	743.981	8.634	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)ccc1O	253617063	ACWUUWIBURCOOJ-QYERGUNMSA-N	540.745	5.258	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccccc3)cc2OC)ccc1OCc1ccccc1	408540130	NKYOHYWXEHUTOC-RGXNXFOYSA-N	510.590	6.016	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408543745	SSQSFKLBQOOEBR-IUXPMGMMSA-N	682.106	6.639	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccccc1C#N	408566493	AFJQZESSHHDUHA-MUFRIFMGSA-N	519.648	5.154	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc2ccccc2c1	408568873	LIYMTUDUZGRAOJ-VTNSRFBWSA-N	670.594	7.040	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	408610188	MQLHQYHLUQNKKW-RWPZCVJISA-N	542.817	5.335	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408648576	WSAIGYDFSVFOMC-NDBXHCKUSA-N	730.322	5.457	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408649663	YVCVZUZVLDRURA-NCYKPQTJSA-N	708.812	5.783	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408676484	JFMHXEOBUDUEAF-FDAWAROLSA-N	535.044	5.429	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1Cc1ccc(I)cc1	408711686	FUMKMHMTMNIYOT-MZJWZYIUSA-N	619.244	5.971	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1OC	408740562	LMXLGMJQXFLMNC-LGJNPRDNSA-N	504.812	5.681	50	40	KKGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408759442	FBOLMPRHTAMWIA-RPPGKUMJSA-N	574.298	5.909	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408761193	CHAWKCDCSVDISS-IPPBACCNSA-N	630.395	5.235	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408762272	NWIMUNJWAMNXHA-ROPCREHHSA-N	608.602	6.932	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)Nc1cccc(Br)c1	408762726	MBIWVNZEMBQCFD-XIEYBQDHSA-N	589.449	8.028	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408774305	UPDQCXYGZHMKPN-QJOMJCCJSA-N	529.471	6.561	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	408774864	NNNUMQAMIKBHAJ-CVKSISIWSA-N	510.830	5.383	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1F	408788887	MUROFFZLQQSEBP-VCHYOVAHSA-N	529.793	6.765	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1	408790742	YCVBGFKPNDDWQT-LFVJCYFKSA-N	557.419	7.292	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccccc1Cl	408818708	YODUGOJZWUNVFX-MTJSOVHGSA-N	602.856	6.154	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1	408824697	HHTDPLMWULRQNS-BBUXEPKYSA-N	755.702	6.327	50	40	KKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c1	408826106	BNSBTTYYGOFHLF-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)cc2)cc1	408827817	HAYLQXLJKDGQCP-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408832062	RAAXUNBGFNWSBZ-JJIBRWJFSA-N	539.975	6.952	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCc1ccccc1	408837170	ZNPCMGULMJPZIP-VXLYETTFSA-N	571.855	6.643	50	40	KKGB	
O=C(N/N=C/c1ccc(I)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408844209	OVUOBWGJPKDFCZ-BHGWPJFGSA-N	548.793	6.169	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC#N	408845931	PYBNQECQEKBIAN-WCMJOSRZSA-N	637.503	6.532	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408852269	RHJSXHZUHLAFBP-IDWIKUEFSA-N	608.536	7.875	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1	408852578	LHGTWHBDZCRWPQ-HNSNBQBZSA-N	577.450	5.952	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408854563	IJGMYEBPDNTEME-IPBVOBEMSA-N	664.121	6.808	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccccc2)c1	408863426	OEVJXJFTGMJTIJ-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408867217	JMEBLXBGAOASDR-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1Cc1cccc(F)c1	408869104	QSQGOFUTQVILCX-VCHYOVAHSA-N	560.794	6.619	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1Cc1ccccc1F	408875914	HVPRKSPBAUDCCG-RQZCQDPDSA-N	595.239	7.272	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408877385	VMXUGRAZCYIUKF-ALQBTCKLSA-N	650.595	6.308	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408878856	CQRAKHVVOHKYMJ-JGRMKTMXSA-N	584.698	5.382	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OC(=O)c1ccc(OC)cc1	408884832	YMNJKTNJIGPTDA-CCVNUDIWSA-N	647.516	5.770	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Br)c(OC)c2)cc1	408889785	HCCJETWDBOXHNV-WOJGMQOQSA-N	619.253	6.196	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408893053	DWVIQKHYIVGPCN-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3c(Cl)nn(-c4ccccc4)c3C)cc2)S(C)(=O)=O)cc1C	408893355	MNQIOALTQWFXEF-OCSSWDANSA-N	550.084	5.181	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl	408905088	SWDDRBBETRLBDX-FXMZOFOKSA-N	640.217	6.604	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccc(Br)cc1	408905174	UQFDIGXRKJQDSB-UHBFCERESA-N	578.419	6.574	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408925999	WIXPMSWJNYQRGA-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)c(OC)c1	408926610	YVQBCMQZUZBCKA-QXFUSVJWSA-N	683.765	6.458	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)c(OC)c1	408947857	BLRXZPSTONKRJY-HVJLQFNCSA-N	795.400	5.501	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(OC)c1	408952654	WKEPMULUBNMTCM-JGCGQSQUSA-N	717.642	6.075	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408969440	NNRCGKASJYDZOM-INOZVXBCSA-N	509.691	5.356	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc2)cc1	408978285	HSIQGLCKIRVNIV-RYBVODPGSA-N	532.641	5.102	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2Br)cc1	408982576	IANHUTHRKZIXBH-GRSHGNNSSA-N	530.249	7.497	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408986061	ZGCJWRNDNISHQB-OCKHKDLRSA-N	570.827	6.843	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccccc2I)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409002047	SDBQLWGMJGHZGM-DANHRZQXSA-N	743.017	7.240	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409006378	JAFLATFKQCOOSR-GXBUFBABSA-N	552.675	6.336	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OCC)c1OCc1ccc(C)cc1	409009608	GVCKEKKAZHDIHC-KPGMTVGESA-N	673.345	7.578	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409037036	XBCLMRBPDRUKOL-VYYCAZPPSA-N	539.227	6.199	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1)C(=O)NCc1ccccc1	409044278	VEEBOIUVJWBBFH-DJKKODMXSA-N	560.673	6.667	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409044880	CZNNLIHJSLZJCM-FYJGNVAPSA-N	548.437	6.028	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OCc1ccccc1	409051004	GPUCTGDKMRPOLL-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1	409067599	FYLZQXKTKJCWDA-SFQUDFHCSA-N	531.815	5.724	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)NCc2ccccc2)nnc1-c1cccc(Cl)c1	409194451	LNKJIPCUSJRELO-FYJGNVAPSA-N	545.024	5.901	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)NCCCc1ccccc1	409239286	PEHLLBDZZWOELD-BKUYFWCQSA-N	544.276	6.991	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409247361	NFVVIODGWSBYRU-YVLHZVERSA-N	561.919	6.460	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1	409249077	GMGFBCSUFJMQGJ-ODLFYWEKSA-N	538.829	6.283	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccccc1	409249126	SIPONSYNKWUSJR-FPJJECCMSA-N	538.385	5.663	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Br	409250906	NJBJXGNDWCOQBQ-MFOYZWKCSA-N	603.698	6.737	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1C	409253801	CDMXOHACIGTOQS-VCHYOVAHSA-N	601.270	6.531	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1	409267820	PEPLSSMMERIYRI-DOHIBDINSA-N	510.421	5.638	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)ccc1OCc1ccccc1	409313290	BJCNEVCLLUDJIM-WBIBEUCMSA-N	585.487	8.077	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1OC	409320385	AOYBMONBZORYOB-NUJZUDFISA-N	521.828	6.787	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1OCC	409322273	JOXVYSQSZJRTPA-QRQIAZFYSA-N	509.400	5.756	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Cl)c2)ccc1OCc1ccccc1	409325107	WTDWADALMFCODJ-KYHGBAKBSA-N	518.972	6.410	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OCc1cccc2ccccc12	409359977	CTDZLVXUPDYBGO-IBBHUPRXSA-N	599.856	6.248	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1	409375283	IIYIEHAMWQEBMF-VXLYETTFSA-N	561.807	5.983	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(Br)c2)cc1	409382257	MGWYYNUPEGBHJU-AQTBWJFISA-N	536.382	5.029	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409387161	OBRZJJJAWUIINU-QDTIIGTASA-N	548.796	5.422	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCc1cccc2ccccc12	409393709	ZDRTUTMAKCAYRX-XZYGTATASA-N	582.498	7.295	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)c1	409394510	BHPLULWFXXFGTN-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409395095	JWAKSCYPDZMNOY-UHFFFAOYSA-N	614.054	6.506	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)cc(OC)c1OC	409395772	ROMNNOYFTWDNTG-UHFFFAOYSA-N	678.539	7.760	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccccc1	409396466	YPGOJGYJJYCUEF-UHFFFAOYSA-N	590.836	7.373	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409396749	ARSASHFRSGHNMK-UHFFFAOYSA-N	727.395	7.922	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)c1	409397214	HLSSUWPLPLCLJK-UHFFFAOYSA-N	519.557	5.835	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccccc1	409402924	XLZPSAPSWXXQAA-KMUKQRDJSA-N	584.072	7.271	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OC(C)C	409405451	UCTOVHCLURSRCM-KYHGBAKBSA-N	550.055	6.869	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	1529548395	FKRGVJDINGVPMM-XXRSJHPYSA-N	653.717	5.212	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1	935352	NBLAPFZYMGEWCK-FYAMCCBRSA-N	532.463	5.234	50	40	KKGB	
O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1sc2ccccc2c1Cl	1787487	BQNSCXPIJDZNQM-MEFGMAGPSA-N	524.827	5.998	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2cccc(Br)c2)n1-c1ccccc1	2097345	HTVUQWBOWCDXAV-KQPIQEFLSA-N	583.943	6.235	50	40	KKGB	
O=C(N/N=C/c1ccc(I)cc1)c1ccccc1OCc1cccc(Br)c1	3167274	KYFQCSWACSGNBD-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	3255103	XMVVALXBMMYXOT-FYJGNVAPSA-N	556.478	7.439	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)OC(N)=C(C#N)[C@H]1c1ccccc1I	8406256	KYRDAZIQVHNCRP-AREMUKBSSA-N	680.593	6.582	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(OC)cc3)c2-c2ccccc2)cc1	9311200	KCJBLTBSHSBPDT-PPFNPFNJSA-N	515.613	6.983	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)cc1Cl	12251029	PTAUEYLKMDHCPY-DEOSSOPVSA-N	502.039	6.447	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1	13564145	PLEBEWGTGDFFOA-FDVSRXAVSA-N	517.869	6.677	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc32)c1	59117603	HDHSWZRXHLJVEZ-UNOMPAQXSA-N	504.373	6.329	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	59222122	NVWFRMVZKISKEA-VWJSQJICSA-N	525.914	6.180	50	40	KKGB	
COc1ccc([C@@H](NCCCN2CCN(CCCN[C@@H](c3ccc(OC)cc3)P(=O)(c3ccccc3)c3ccccc3)CC2)P(=O)(c2ccccc2)c2ccccc2)cc1	95677066	GFXZFTHULBPRMZ-DKSDCYBHSA-N	840.986	8.006	50	40	KKGB	
N#C/C(=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl	97946732	GULAWOUAMSHNIH-FYWRMAATSA-N	521.758	5.448	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1	97960790	ANGBRGFOJMCSJE-NHFJDJAPSA-N	544.054	8.409	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccc2ccccc12	97962171	MXFPWTCYBNOJQE-FADJLKOXSA-N	544.607	6.654	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1	100287742	RYYVQOGEZDZDPE-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2cc(C)cc(C)c2)cc1OC	100304078	KZTLRCJTRMCWBW-DPNNOFEESA-N	592.693	5.213	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100336727	SROKSSPRLSHPLQ-IUXPMGMMSA-N	523.641	8.061	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc(Br)c1OCc1ccccc1Cl	100935294	JBSIBEONJRTAIN-IURWMYGYSA-N	601.885	5.331	50	40	KKGB	
CCOC(=O)[C@@H](c1nc2sccn2c1P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1	102141097	VXESTPSSUPJOHA-SSEXGKCCSA-N	610.612	5.654	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc2ccccc12	102933478	OCBMCTZTLZZILG-XSFVSMFZSA-N	586.398	6.674	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1	103012322	JICDENIQVPJGBV-SXBRIOAWSA-N	551.709	5.780	50	40	KKGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CCC2	103127930	SIYSFOMLMVHKJF-AFNIWGEMSA-N	506.389	5.901	50	40	KKGB	
COc1cccc(N/C(SCC(=O)Nc2c(C)cccc2C(C)C)=C(/C#N)c2nc3ccccc3s2)c1	103455111	SKWPETFRUMETTP-WEMUOSSPSA-N	528.703	7.413	50	40	KKGB	
O=C(CCc1ccccc1O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	103754258	DBTXLPFCEPLVSO-OKCVXOCRSA-N	568.636	5.630	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341805	BOFQIALCWQXJFH-SFHVURJKSA-N	998.472	15.602	50	40	KKGB	
FC(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341871	PHSIFSLVCPMITB-REOHCLBHSA-N	892.044	10.928	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OCC)ccc1OCc1ccccc1	408536684	AICWCNUAXQOLRI-WPWMEQJKSA-N	627.535	7.950	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(C)cc1	408543721	SJOGIFIUIOZPPR-NHDPSOOVSA-N	582.394	5.821	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCC(=O)Nc1ccccc1	408550962	LARFZOMAUFCSCA-IWIPYMOSSA-N	527.418	7.083	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl	408552134	HMNKHYYMWYVGKF-OQLLNIDSSA-N	535.214	6.863	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408554347	RVFFWSZOWMEZDQ-GIJQJNRQSA-N	593.459	6.303	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408570520	WIHKUOMTMQOFIG-JAIQZWGSSA-N	522.407	7.779	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	408581053	TWGBHZLMXHFHBL-OQLLNIDSSA-N	588.104	7.350	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408649194	KUYAASFHSKPNCM-GPCRNXKPSA-N	709.621	6.148	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccc(Br)cc1	408675831	BNZZUVGQSYZCFD-OCSSWDANSA-N	601.339	6.553	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408685332	PBTQZBLFYPHTQX-MKXGPGLRSA-N	633.562	5.582	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)O[C@@H](C(=O)c3ccccc3)[C@H](Br)c3ccccc3)c2)c1	408686763	SSWFZUNGGBDDTR-IXCJQBJRSA-N	542.429	6.792	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1	408710776	JYDIETSPOMEADK-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	408719918	PXNITUFETBXVCE-CCVNUDIWSA-N	503.451	6.355	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(I)cc1	408742883	CMLVEYQWAWZRGS-MOSHPQCFSA-N	524.358	5.733	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	408744463	LGQKZEHXNLQKKN-GRSHGNNSSA-N	617.237	6.185	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745323	LOCKOZPEJUYXAW-APSNUPSMSA-N	590.655	6.718	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408746201	CEJVYHSMVWTJOC-SXGWCWSVSA-N	703.087	6.922	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc2ccccc2c1	408747007	JDFDCXCLIMUBLH-QFEZKATASA-N	527.418	6.413	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408748369	CSKGHLUETDFNKC-VULFUBBASA-N	596.297	5.450	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1	408753001	KNHUUYLORMARSZ-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
COc1cc(C(=S)N2CCC(C)CC2)cc(I)c1OC(=O)/C(C#N)=C/c1ccccc1	408753378	OTCHDAFLZLTQSC-XDHOZWIPSA-N	546.430	5.220	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)c3cccc4ccccc34)cc2Br)cc1	408754306	QAJUELFAFXHDLC-RWPZCVJISA-N	602.304	6.205	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl	408762309	NZMUZZLJVSQBPB-ZSOIEALJSA-N	597.230	5.977	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	408774224	CBAMGYBEEJAJAZ-JJIBRWJFSA-N	510.435	7.005	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408780633	GSRUXEBMRPCTCH-TWKHWXDSSA-N	520.699	5.310	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1C	408788464	DFEYVMOLROKHBW-ZMOGYAJESA-N	684.315	7.791	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1	408789318	IXXQLRFLZULBLL-SXGWCWSVSA-N	525.184	5.064	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408789748	KUBLUQPJSBLHFS-RGVLZGJSSA-N	536.382	6.107	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1F	408789871	SEGXVJJKCHOKJM-UDWIEESQSA-N	509.375	6.420	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408793851	QKOAHTPDYDXPNY-UDWIEESQSA-N	580.391	5.667	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccccc1	408794938	KPOWCTIQSGKMOM-FYJGNVAPSA-N	582.394	5.601	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)c1	408797002	QDXGYFOQHXFBDF-DJKKODMXSA-N	652.245	6.776	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1cccc2ccccc12	408797830	TWLLSSBWMULMMS-WSDLNYQXSA-N	561.863	7.697	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1cccc(Cl)c1	408800948	QJLMKRCVRVIKCE-RGVLZGJSSA-N	525.830	6.934	50	40	KKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408803485	PPDNNKIHVXLLOA-XXNUFMJZSA-N	503.440	6.783	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1cccc2ccccc12	408809647	HHFRGOKCHYIXDX-VEILYXNESA-N	518.613	6.388	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408814647	GEPKQPNVLDWHBS-GRSHGNNSSA-N	590.699	6.676	50	40	KKGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c1	408824696	JBKCKZBTPCPGHA-NLRVBDNBSA-N	553.456	7.461	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1	408826686	IVPAWWZSZWOQLC-HNSNBQBZSA-N	567.589	5.873	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	408830345	PIAFZFQCIJOHDO-BUVRLJJBSA-N	699.372	8.700	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1	408838271	UFOATXKAHUWQDU-PMKUWPHLSA-N	676.795	6.111	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)Cc1ccccc1	408841376	FNDGGSWMKPCHDB-FMFFXOCNSA-N	600.469	6.012	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)c(OC)c1	408843854	FYGMESWRQISRPP-YDZHTSKRSA-N	535.438	5.886	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408847518	SOTZSQNHMBMVEL-XAZZYMPDSA-N	567.885	8.538	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408857522	KGUVWTYSMRDXFP-XKJRVUDJSA-N	622.328	6.539	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408858815	PUWYHCRXRSCFCE-XZYGTATASA-N	680.621	6.316	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408863592	SZLWBJFRHSWCHI-RDRPBHBLSA-N	586.508	5.067	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2	408863673	UFBSPQGICLYDDV-STKMKYKTSA-N	590.101	5.969	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408868443	MNXNMPZRHLVDOY-VWJSQJICSA-N	665.393	6.413	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408869154	PGSQUPZNFHYJKT-RQZCQDPDSA-N	535.747	7.246	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3cccc(F)c3)c(OC)c2)cc1	408872864	KIQAKBHRMDUGKX-VXLYETTFSA-N	523.358	5.520	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccccc1Br	408891094	LIWZAHDFJHIYQV-LICLKQGHSA-N	513.775	5.941	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Br)c2)c([N+](=O)[O-])c1	408894689	KMYFUSSMPLASAM-CPNJWEJPSA-N	572.371	6.284	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1	408895092	LXJLSSHANRXFMT-RQZCQDPDSA-N	542.773	6.144	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl	408897454	XBEMMILPJBNRGU-KVSWJAHQSA-N	512.220	7.042	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc(C(C)(C)C)c1O	408901064	ZUKSQBHKDWINLK-HNSNBQBZSA-N	521.101	7.303	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2Br)cc1	408921561	BDBNBFIGNQIICX-BRJLIKDPSA-N	558.237	5.296	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc(Cl)c1Cl	408922815	SOPYHEGVXMBFSE-UVHMKAGCSA-N	540.856	5.142	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccc(OC)cc1	408924693	NQBSPODIILBEFS-CPNJWEJPSA-N	526.998	5.369	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	408938121	KTLCXSJCFHYYID-RWPZCVJISA-N	518.466	5.458	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408949638	RJMTWQNRRVHQEU-HHHXNRCGSA-N	832.342	6.825	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C	408950792	SKPSQDQABQOTJQ-UUWRZZSWSA-N	720.679	6.865	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	408955726	OZVXDLIWCSRSKL-ZAROQNEASA-N	606.476	5.424	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408963293	YWHFEACWMXSNNT-RPPGKUMJSA-N	559.291	5.428	50	40	KKGB	
CC[C@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1	408969183	ISVFXTRXXHKCAB-DIWDRYHZSA-N	533.466	6.644	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCC(C)C	408972088	RSSGVOWFVNPHGQ-QMBVZLLKSA-N	576.532	5.251	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1cccc(F)c1	408977075	CTTWUEXAJQOGBF-HIYJYGDOSA-N	525.580	5.425	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(C)n1-c1ccc2ccccc2c1	408977977	GNLDUGMWVMENLV-FBTAJRKFSA-N	540.664	5.808	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)[C@H](COCc4ccccc4)NC(=O)OC(C)(C)C)cc3[N+](=O)[O-])sc2c1	408990669	LILBUZOLABQVAW-LMAMAKFXSA-N	740.864	7.477	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993431	CURYLNXFBUCTRH-JBQSXSRFSA-N	760.886	8.101	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccc(Cl)cc5)cc4s3)c([N+](=O)[O-])c2)cc1	408994231	YIPBHBVLFYTOIP-KGENOOAVSA-N	626.119	8.116	50	40	KKGB	
N#CC(C#N)=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1	408994509	ZMVMPJXDEJEESL-UHFFFAOYSA-N	517.979	6.692	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(Br)c(O)c(Br)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409020668	RVVUHHPEJOVXPD-PPDIBHTLSA-N	591.256	5.016	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl	409028984	WHANTJWIJQTJOD-BSAWEUQCSA-N	599.540	6.498	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409029626	BDUWHTFVPQGDKL-DLCNMLRHSA-N	694.221	8.532	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409080401	NNVLPBYWHAFQDE-LICLKQGHSA-N	637.352	7.263	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccc(Cl)cc1Cl	409097897	HSYILXVEWKORSV-XMMPIXPASA-N	576.230	6.290	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C	409154384	NYUCLTJHXFXDGJ-VVEOGCPPSA-N	557.434	5.034	50	40	KKGB	
Cc1c(-c2ccc(/C=N\NC(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-]	409172166	IWTRVEDXNXXWGX-RUPVGHTCSA-N	531.396	5.765	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccccc3)cc2)c1	409219346	LKJKZRLCABDBMY-MNBJERMJSA-N	511.965	5.884	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cccc(C(F)(F)F)c2)cc1	409227088	XKVQXJHXAHDJCV-CNCDYAKUSA-N	545.945	6.327	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1ccccc1	409234255	JPOBOBSMOVKJFG-RWTUPJDWSA-N	558.419	6.808	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409235448	QBQYTPHIOFPQOO-FVHJOOJJSA-N	562.464	5.958	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccccc5)c(Br)c4)cc3)cs2)cc1	409254900	JQFZYLCGGJGXML-HQDYHJHZSA-N	640.563	7.406	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Br)c2)ccc1OCc1ccccc1	409255274	HPPAGGHLCJPHJH-HQDYHJHZSA-N	636.930	6.862	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)cc1Cl	409257243	PJZVPOVYJHPQCZ-LZYBPNLTSA-N	530.795	6.224	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409260143	LKPOVGFJUYWJEX-UDWIEESQSA-N	613.427	6.009	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2C)cc1	409270407	FNGUBCPRQFMHPY-UDWIEESQSA-N	627.333	6.790	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409322786	LCDITHZXWJDXCK-BJUCDSOZSA-N	609.985	7.409	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1OCC	409336432	SLLMPLMIYULBDU-MWLSYYOVSA-N	543.845	6.409	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Br)cc1	409353611	ODOLQJMCQUHLRI-VFLNYLIXSA-N	640.170	6.514	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409359663	NIXKDDVKTKXIKB-KVSWJAHQSA-N	581.692	6.015	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OCc1cccc2ccccc12	409361391	HCLIKHGIRBSHQZ-JFLMPSFJSA-N	592.524	6.068	50	40	KKGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1)Nc1ccc(F)cc1	409363215	KGLUPNHLTPILPF-OHUYPAJKSA-N	565.630	6.474	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCc1cccc2ccccc12	409366726	XTJASTVRBAOWGO-FMCGGJTJSA-N	575.402	7.215	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	409373805	YXAMAYYEDWVGEY-IPBVOBEMSA-N	708.121	6.504	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccccc1	409374111	YICMEXXYUUYPRI-MUFRIFMGSA-N	519.395	5.962	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OCc1ccccc1	409383404	XNYJRWZOPYIDDA-RGVLZGJSSA-N	527.362	5.330	50	40	KKGB	
COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c3ccccc32)o1	409390564	FVVZKESIBAGGCB-WJDWOHSUSA-N	504.340	5.377	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409396845	BVWREKWDZOVWHR-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409396945	DGPCQMZRRZUAIU-UHFFFAOYSA-N	602.430	6.862	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409397255	HYBCZEPIXJXMRQ-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)c1	409397559	LEYOVZYKVFVEPP-UHFFFAOYSA-N	541.529	7.145	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398555	ULGVZXJOAAZUHG-UHFFFAOYSA-N	624.883	8.316	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409399061	XPWRVMPLXDPSDF-UHFFFAOYSA-N	582.538	6.717	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1cccc2ccccc12	409400519	DOIUHEPRXWIFCP-WBFBQHAKSA-N	727.055	9.577	50	40	KKGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409405779	VFOOVVLBLCUSEF-LQNQUEJISA-N	503.986	6.248	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409406057	ACCLPMQBSITCJO-IVIWRTRUSA-N	648.672	6.956	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N4CCCCC4)cc3F)o2)cc1	409406340	BVEHBNKMZSAEOS-MZFJOGFUSA-N	514.601	6.159	50	40	KKGB	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)[C@@H](CCl)C(O)(O)C(=O)CCCCCCC/C=C\C/C=C\CCCCC	888085270	YLHLZFURFIUYDZ-UGNUSHCTSA-N	635.414	11.288	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)OCC)cc1	1529549292	XDBGMOBVXJGHES-NZDCISMZSA-N	699.613	5.634	50	40	KKGB	
CC(C)Cc1ccc(-c2n[nH]c3c2[C@@H](c2cc(Br)ccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1	985842	BLTWCOMAYMADJQ-QHCPKHFHSA-N	578.467	5.087	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1	1790713	DLUMBUQEOAESBY-CKVBZJJFSA-N	512.393	6.197	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	2946007	DSBKWDRLCUEIIL-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
O=C(COc1ccc(Br)cc1)NNC(=O)c1oc2ccccc2c1CSC1CCCCC1	3455094	KKHQIXDSYUCSPG-UHFFFAOYSA-N	517.445	5.601	50	40	KKGB	
Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C(/C=C\c1ccc(N(C)C)cc1)=N/NC(=O)c1ccccc1	5732325	PMLZTTJCGDDWEM-RCBRXZIESA-N	526.622	6.017	50	40	KKGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)C(c1ccccc1)c1ccccc1)oc1ccccc12	16136814	NFTMSTOMSFICFJ-FMFFXOCNSA-N	505.574	6.247	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1cccc(Cl)c1	32520516	ABZCHYUKZMVXJK-MZJWZYIUSA-N	512.056	6.170	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1ccc(OC)cc1	34746125	WPZNUPZPEWSDNO-YKQZZPSBSA-N	517.582	5.062	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	59647070	WERBPAKRIVKXRP-HWJCWBKPSA-N	564.154	8.613	50	40	KKGB	
COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)CSCc1ccc(F)cc1Cl	97945343	PEISSEMNUKHOHD-UHFFFAOYSA-N	524.064	5.245	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)c1nc(O)c2ccccc2n1	97947243	JFLDSAYGOGSCED-ULJHMMPZSA-N	556.025	7.485	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)c(Br)cc1OCc1ccccc1C#N	97960837	KVCVMXGOQCPWLI-WCMJOSRZSA-N	544.405	5.591	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccc(Cl)cc3)=C(C#N)[C@H]2c2ccccc2)cc1	98048518	CZVZFPDTLRXKOQ-MUUNZHRXSA-N	572.086	6.467	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1cc(Cl)ccc1Cl	100120111	XAVVNMZTCADQRR-QLQYKETESA-N	573.568	7.620	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100120135	BGANWCAFVOPSPO-QLQYKETESA-N	573.568	7.620	50	40	KKGB	
Cc1cc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)n(-c2ccccc2)n1	100141718	HRXXKPBJXSESIJ-YUFKADFFSA-N	574.493	6.553	50	40	KKGB	
COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2cccc(Br)c2)c1	100326165	NAAXBFNXPWSSKF-KKMKTNMSSA-N	538.276	5.941	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343738	SQYKCSUVOAIBSL-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)cc1)c1ccc2ccccc2c1	100390299	YXQXDSRMYRLXAT-KAOXLYBCSA-N	599.275	5.306	50	40	KKGB	
CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)c(C(=O)OCC)c1C	101074906	AKKDLVXDBLXONN-NBVRZTHBSA-N	517.632	6.663	50	40	KKGB	
CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)/C(=N/NC(=O)c1cc(-c3cccs3)nc3ccc(Br)cc13)C2	101094525	OKWUBPVBFJOMQS-UYUSDPHLSA-N	562.511	5.526	50	40	KKGB	
BrCc1ccc(-c2cc(-c3ccc(CBr)cc3)cc(-c3ccc(CBr)cc3)c2)cc1	103849549	OMSHYLJZYDPPHE-UHFFFAOYSA-N	585.177	9.372	50	40	KKGB	
C/C(NNC(=O)c1ccccc1Br)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	103920652	FXHUBTZHTUBTSJ-QNGOZBTKSA-N	532.423	5.018	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(-c3ccc(Cl)cc3Cl)[nH]2)c([N+](=O)[O-])c1)c1ccccc1O	106252734	LXFWXLCVZRSCJP-OPEKNORGSA-N	529.365	5.307	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(I)c1OCc1ccccc1Cl	150416577	GOTWBKOUXWLLMT-RQZCQDPDSA-N	682.696	7.139	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)N4CCCCC4)cc3)c(OC)c2)cc1	408542891	OLAZFPZSIFCUIU-BWAHOGKJSA-N	525.605	5.455	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1cccc(F)c1	408545534	ZMHOHUOUOUWYPI-NVMNQCDNSA-N	525.330	5.420	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(Br)cc1	408550262	FIKBYQHTVYYBOG-VCHYOVAHSA-N	582.907	7.048	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1Cl	408567045	KOLWGVMTLNMDRC-BVMLUPFRSA-N	619.286	7.493	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408570152	SBESMNOBYUCHFY-UUASQNMZSA-N	502.760	7.314	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408570527	WJQZOGWKCKTTEN-QNGOZBTKSA-N	535.648	7.366	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408613115	ZIXUYSKUJPCAEA-INIZCTEOSA-N	534.827	5.731	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1	408616426	YZJVKNSHBMCQGI-XODNFHPESA-N	548.796	5.308	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408669494	HEZNEUBERJWSAR-ULAZLLGUSA-N	574.191	5.384	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1	408676418	IOJGJAKPFJSBDF-OCSSWDANSA-N	522.001	5.380	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408689840	ZFGDNXPNQCJZDB-MKXGPGLRSA-N	589.111	5.473	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccc(SC)cc2)cc1	408728312	ZPSMZUUCTFEJDX-ZCTHSVRISA-N	559.713	5.405	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(F)cc3)c2-c2ccccc2)cc1	408742279	OCVCLEYLCTVVRF-PPOKSSTKSA-N	503.577	7.113	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744596	GDYFVEDHRINASV-BOPFTXTBSA-N	640.646	6.674	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408756515	SNWFQGSRMZJEMM-APSNUPSMSA-N	611.117	7.652	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12	408757542	ZNMXLGQOIPOIPZ-ZLWVYGHNSA-N	666.638	6.732	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408758800	RJGACXJSBDAIOG-DHDCSXOGSA-N	506.172	7.065	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408787039	ZZCOQLRIPLXDEQ-KMKOMSMNSA-N	643.002	5.212	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Br)c1	408792507	ALQMTXNAMDXXDL-CAOOACKPSA-N	595.118	7.952	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1cccc2ccccc12	408793956	GTLBWTGRWOUZDW-PCLIKHOPSA-N	511.021	7.579	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1	408795297	UZNAUWVKIDQTPA-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1cccc(Cl)c1	408811138	LCBUYXVHDYJCIY-YBFXNURJSA-N	558.803	6.468	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC	408814000	GMGCDKOECOGXAF-NVMPUMLXSA-N	507.634	6.743	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408814652	VXRULVYFKJGADG-HMMYKYKNSA-N	528.362	6.635	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cc(Cl)ccc2C)cc1	408825000	CEGVFDSHQIVSMQ-FABQOPTDSA-N	639.561	5.973	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1cccc2ccccc12	408827854	MWIFTBMPENMADE-ZTKZIYFRSA-N	633.542	8.705	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408829919	QKVXBUIETJEIDB-HPNXWYHWSA-N	623.731	6.090	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1Cl	408834287	VPDHHTTVEURHAP-ZMGVVAQMSA-N	629.522	5.383	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408835228	NOHCNLPSLIUAEJ-VFCFBJKWSA-N	559.065	8.505	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1	408838930	KKKNNYZYCVBMFI-KCSSXMTESA-N	586.442	6.002	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408839348	QYGDXEXTKKTZRM-KBVAKVRCSA-N	621.285	6.447	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839492	TVFQIPGRMOPBGY-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408839830	COWGHBYPMKFMFG-RUMWWMSVSA-N	605.514	5.437	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408846562	TUDZFAIHLKJFCS-QNVXDBMFSA-N	729.427	8.817	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC	408846642	RBNSOYSEIQRJBV-RGXNXFOYSA-N	542.477	7.106	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408860741	DDBUKBYYEUNRPC-RUMWWMSVSA-N	557.672	5.318	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(C)c(C)c1	408876656	MXDSKZSZQMUJKH-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1ccc(Cl)cc1	408879429	GDXPZGSOGGBFGN-FYJGNVAPSA-N	539.857	7.188	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)c(OC)c1	408880797	HKLBFZIRWGAZOT-AWQFTUOYSA-N	602.400	5.258	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC	408882743	NSVKGZGHASLPHQ-HNSNBQBZSA-N	608.116	5.834	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408883663	QRCIVDFACSWFCK-ZXTCRCEHSA-N	702.660	8.439	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1Cc1ccccc1F	408883994	SKMAJYLBEMVVNR-XDHOZWIPSA-N	526.349	5.965	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Cl)c1OCc1ccccc1	408886934	KFPIRIOQOPQRQM-YBFXNURJSA-N	507.930	5.780	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)c2C)sc2c1CCCC2	408903954	BRMYYURFABAPGZ-MUXKCCDJSA-N	557.514	6.438	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OCc1ccccc1C	408924678	NNTPBKKCNOPEFS-VXLYETTFSA-N	650.254	6.338	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1	408944590	JBHSXNCPKHDFEO-NDEPHWFRSA-N	697.011	5.438	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc3ccccc3c2)c(OCC)c1	408944719	JLSKXWVQBCZXJA-MGBGTMOVSA-N	778.669	6.307	50	40	KKGB	
Cc1ccc(OCCOCCOc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)cc1C	408969026	FZBQCJRVBWGDCS-PXLXIMEGSA-N	525.432	6.630	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408973615	ZPBUFSXULXWIEQ-DSDAOZLQSA-N	756.421	5.584	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(F)cc1	408982914	ZSCDQLHLDIHMQM-KHIJKKSWSA-N	589.689	5.672	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(Br)cc1	408986129	ZRDAVQGGMAIWTP-ZDLGFXPLSA-N	590.699	7.307	50	40	KKGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(OCc2ccc(I)cc2)cc1	408993527	DTFARIYETIHECB-MXAYSNPKSA-N	520.754	5.053	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	409011973	GWTCYUNBHVFYKE-OXCCTMSTSA-N	524.665	5.366	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409013865	NWNUEFVGUYIEBD-VRLPIDSUSA-N	754.931	10.069	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc3ccc(Cl)cc3Cl)c3ccccc32)c1	409015955	PXMSDVBLELIZCH-DUONFBQLSA-N	621.609	7.453	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccccc2OC)cc1	409027966	VZWKIPXYNVBPIP-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c1	409029191	ZFXVEPBGNXGUBX-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
COc1ccc(-c2cc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccc(C)cc34)c3ccccc3n2)cc1	409040898	YZKFFERKLODSJQ-GZOMZLSJSA-N	607.541	8.601	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1	409041668	KLMAXFJXIWZMPK-WOJGMQOQSA-N	574.244	6.874	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1	409063410	BHNBTPIOCTXOAR-OQLLNIDSSA-N	630.236	6.544	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)c1nc2ccccc2o1	409073727	ICDBFEAMNPTSPR-NTEUORMPSA-N	505.766	6.620	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	409133019	QBCXVYWQTPVOHN-ALQBTCKLSA-N	626.562	6.869	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc4ccccc34)cc2)C2=C1CC(C)(C)CC2=O	409141282	UXTFXYFDXDKVBP-GDLZYMKVSA-N	507.634	5.801	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	409184454	GSZSNSCBBAMSNX-XZYGTATASA-N	640.589	6.934	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1	409222846	DJXQFNGFUUGONW-FGEGDXNKSA-N	503.769	6.038	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409227466	YYYIYBCZZZEKJJ-LDADJPATSA-N	520.929	5.210	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccccc1	409239311	PIKHVHQWXMFNDJ-SJJOQSKNSA-N	584.264	6.273	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409241402	XFRAPEYXBVWAGV-NILAOQAMSA-N	548.712	7.071	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCC(=O)Nc1ccc(F)cc1	409245754	YQVSDZIDDMVAMD-ATVHPVEESA-N	513.447	5.416	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)c(OCC(=O)Nc5cc(C)ccc5C)c(Br)c4)cc3)cs2)cc1	409256984	NEDVFALLVJGQRI-ADJDCTSUSA-N	747.513	8.785	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409265172	RCCBMCGTNRLECI-ODLFYWEKSA-N	524.404	6.182	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409266646	XRHPWHLEJLWJRI-NUJZUDFISA-N	605.860	5.742	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)ccc1OC	409311970	IHRCORLFQOFCES-MUXKCCDJSA-N	578.378	5.189	50	40	KKGB	
C=CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OCCC)c(OCC)c1	409312899	NAXMPOLWCYVMNR-QFEZKATASA-N	540.252	5.728	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	409316834	NIHRZPHMOLQOLK-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1OC	409322039	IQDDIORJEGUKJV-QDTIIGTASA-N	605.283	5.319	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)ccc1OCc1ccccc1	409323732	PPEYOXCYNBHQPO-OJYCWLPVSA-N	617.540	7.477	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409325177	XAVQOLZGHHUFTM-CNCDYAKUSA-N	640.409	7.128	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC	409325560	ZBFRRMWFAXPOLX-WGARJPEWSA-N	573.356	5.619	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1Cl	409359098	VUAIENNGWLGRFJ-KVSWJAHQSA-N	581.692	6.015	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1cccc2ccccc12	409369605	QZLHJYDSXARNKU-QFEZKATASA-N	509.403	7.516	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(I)c1OCc1ccccc1	409369607	RCUIYYPQQFSIBH-CVKSISIWSA-N	530.362	5.041	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1	409394989	IMRMIFADXDPQIJ-UHFFFAOYSA-N	507.521	5.966	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409395422	NJBPYYHRNWFHCL-UHFFFAOYSA-N	690.978	7.877	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)[nH]c12	409397074	FXLZOPPKEPIIEO-UHFFFAOYSA-N	517.585	6.389	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397712	NCKRRWGOERQHIS-UHFFFAOYSA-N	649.872	7.085	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4cc(Cl)cc(Cl)c4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409397792	OCPFDJCGQPSKQU-UHFFFAOYSA-N	680.928	7.721	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C#N)cccc4c3-c3ccccc3Cl)cc2OC)c1	409397882	OZVKZLNMZNUVLA-UHFFFAOYSA-N	579.012	6.360	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409398406	SVGRMCWTNHZPGG-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(I)cc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409399325	ZMMXBCUHDCPHOV-UHFFFAOYSA-N	737.934	7.019	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3ccccc3F)o2)cc1	409400508	DMQYKDXFWLZCQC-HQDYHJHZSA-N	582.588	6.656	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(C(=O)O)cc4)c(Br)c3)o2)cc1	409402823	LESCQBOCTQDKAT-RODHXAHZSA-N	721.402	7.832	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)o2)cc1	409406803	CQWJFHYUTCPXGR-HAGUOIIQSA-N	649.616	6.465	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1Br	1817371	BLASRRXQSPQBJF-LSFURLLWSA-N	543.921	5.497	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc2ccccc2c1	9762953	VBJNLNDDGAKPGM-MTDXEUNCSA-N	514.701	6.769	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(N(C)C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	30742766	NVTOKEPBVHPGEW-DXJNIWACSA-N	526.710	5.849	50	40	KKGB	
Cc1nc(SCC2=C(C(=O)OC(C)C)[C@H](c3ccccc3Br)C(C#N)=C(N)O2)c(C#N)c(C)c1C	33354355	RGEGNGIRVQJOCC-JOCHJYFZSA-N	553.482	5.447	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc(Cl)c1	59281871	LKXHSZLBCRCZAU-WOJGMQOQSA-N	516.222	7.189	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccccc1Cl	59398730	OBPBCZMVJOTVSZ-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccccc1Cl	59398734	KGYUHHRMHWPVTG-JAIQZWGSSA-N	511.803	5.913	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(Cl)cc3Cl)=C(C)N2)cc1	98048626	UKHIHEBVNZIBCU-VWLOTQADSA-N	569.470	6.302	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	100127406	YADFIWYVSJKMTI-OCSSWDANSA-N	583.483	5.341	50	40	KKGB	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc1	100904694	PIDFSZUDRBLIAQ-KGENOOAVSA-N	536.407	5.205	50	40	KKGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)c(NC(=O)c3ccc(Br)cc3)s2)c(OC)c1	102862964	SMQNORLOXXNHRI-ZHZULCJRSA-N	546.446	6.906	50	40	KKGB	
CCOc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl	103592723	DABWLMQNWNKOSJ-KPKJPENVSA-N	532.774	6.607	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc([N+](=O)[O-])cc1)=N/NC(=O)c1cc(Br)ccc1O	104316859	WVRDBMSLFMKSCT-UTMIZZEPSA-N	619.436	5.581	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2	104882377	OZPSVEHHKCQBMC-VXLYETTFSA-N	548.824	6.058	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@@H](C)I)CC[C@]4(C)[C@H]3CC[C@@]21C	118913433	RPNZXKGKNPDEGJ-QXFGDZDJSA-N	582.651	9.153	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cc(Cl)cc(Cl)c2)cc1	150383705	OOPMPKQOWKXYGM-KPGMTVGESA-N	648.410	6.817	50	40	KKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](NNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccccc1	150385097	NQTSODJXUGUDMC-UUWRZZSWSA-N	661.824	8.083	50	40	KKGB	
C/C(=N/NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1)c1ccc(F)cc1	150391680	OBOPRPVDHANKTK-YGPWIVTJSA-N	628.515	5.953	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164700293	UGCIYJRAENOWLD-STZFKDTASA-N	709.753	6.384	50	40	KKGB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)c5ccc(N)cc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C	263596549	FTXMPGMBARZGMX-FHLJZYNISA-N	858.942	5.100	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(I)c1OCc1ccccc1Cl	408532718	QVRXZZKAMOYUNS-MZJWZYIUSA-N	564.807	5.451	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c(C(=O)OCC)c1C	408547511	YRRUIGUOGNTHEA-MHWRWJLKSA-N	555.992	5.740	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1	408676836	ALAGPWURFSGYIS-GJGHLTEWSA-N	614.707	5.177	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@H](Br)c2cccc([N+](=O)[O-])c2)c1)c1ccc(Br)cc1	408682940	LTFBJJFGHDUKCW-VPUSJEBWSA-N	652.295	7.154	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408710582	LUPSDTOCIOEKGC-MZJWZYIUSA-N	558.385	5.116	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408743525	GLDLSMSNROEDCH-GDNBJRDFSA-N	539.298	5.612	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OC)c(I)c2)cc1	408745425	SBGPEGHXJNUGEJ-JYRVWZFOSA-N	527.156	5.007	50	40	KKGB	
CCc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3c(Br)cc(Br)c4cccnc34)c2C)cc1	408762536	OWZCVHKGBYSCOX-CPDSRJINSA-N	584.312	6.259	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)C(C)C)cc1	408765699	XGPVCSXDHLQEBP-PKEXHZLISA-N	637.394	5.552	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408774207	AZDWDVHATAIINL-ZROIWOOFSA-N	522.266	7.258	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl	408774372	ZSOHLCBKMGYTLJ-RGEXLXHISA-N	510.421	6.583	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	408778311	DFARRGMYWFLNTI-JBASAIQMSA-N	505.684	5.591	50	40	KKGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1	408782909	KZJUAJVSYKMZLD-IPPBACCNSA-N	539.963	5.021	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I	408798272	VTVLKNZNXGUYMO-CXUHLZMHSA-N	582.179	5.070	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1c(C)ccc2ccccc12	408802707	GIRTVWBTGFBNAV-CIAFOILYSA-N	608.863	7.540	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccccc1F	408806277	AYMNQNQYRMNVDG-UDWIEESQSA-N	674.251	7.313	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408809074	HNOAUAVXSGCNAX-QRVIBDJDSA-N	606.314	7.176	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1	408811594	LPUVHVTUHROGCZ-OCKHKDLRSA-N	512.349	5.713	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	408818715	ONSGDHZVTAUFAA-OJYCWLPVSA-N	643.379	8.321	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408820929	APIJBARFXVHWTO-WGOQTCKBSA-N	613.928	9.504	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC	408823720	FZRGTWFSMMIGMF-DEDYPNTBSA-N	598.824	6.090	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1	408826511	DPZASBIRQPXAPU-SEBMTOOBSA-N	705.258	5.974	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408833084	RLSKDXOAUAKOEH-MFKUBSTISA-N	617.927	8.123	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccccc1	408833951	KNIMBAZLFIYSLF-BUVRLJJBSA-N	650.900	7.657	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1C	408836692	UKDXTXYMRIRJDD-WGOQTCKBSA-N	601.928	8.423	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408840800	GBGDRMQGZLDIAM-ODQASSKESA-N	755.902	7.660	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Cl)c1	408842511	AHVMJHQIDZWHAO-QJOVZPHJSA-N	568.504	8.411	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2Br)cc1	408843564	MDJIVKHZXIBCDM-FABQOPTDSA-N	611.565	8.276	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OCC	408843765	UCDQVXZKWXPRBA-PPFNPFNJSA-N	601.725	6.042	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1ccc(Br)cc1	408845638	QSZCVAAHHDUNFC-KPGMTVGESA-N	604.961	8.141	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCC(C)C	408852859	WLLSSXULAFYBGQ-NSKAYECMSA-N	539.441	5.241	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)c(OC)c1	408859061	VILLSUVASHBUFA-SSDVNMTOSA-N	525.432	6.430	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408870347	VWZKEEIJPCWSHX-CCVNUDIWSA-N	568.320	6.976	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1Cc1ccccc1Br	408870829	XDWFKXNNPNJQFQ-FYJGNVAPSA-N	523.858	7.200	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408871364	YTKJTFIBISSWSD-MWBNBJEGSA-N	685.040	6.961	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1C	408885797	AWQCTLVUHMATBR-REZTVBANSA-N	591.245	7.106	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1cccc(Cl)c1	408885983	CGGIZXDKYMPABG-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(I)c2)cc1Br	408890284	QVJVMFATWURIHT-UFFVCSGVSA-N	564.015	5.145	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408890721	YDPBACDWUSZBSU-LICLKQGHSA-N	600.809	6.183	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408891461	QWVLSSGKQAIVQR-RGVLZGJSSA-N	548.382	7.188	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OCC)c1	408944978	JYFDULWEDUGAHN-GDLZYMKVSA-N	681.609	5.312	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12	408948539	PIIVBOGSTVIKLU-JGCGQSQUSA-N	608.720	5.304	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408976234	ABQHXAGGNJQGAV-ICSRMJQJSA-N	506.389	6.265	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(I)cc1	408981846	CXRHIUZXAQAJQE-DEDYPNTBSA-N	572.830	6.776	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409010549	BVNOECBVUADFLD-FUYUQSPLSA-N	585.315	7.009	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409038282	VDLAAGLGCIEMIJ-XNTDXEJSSA-N	554.430	5.672	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC	409039040	WAIJILHJTRQDAS-XNTDXEJSSA-N	664.498	5.965	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(Br)cc1	409040786	IHBWHVHIKPCUMX-KMUKQRDJSA-N	614.927	8.059	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc2ccccc2c1	409042326	KFERNWJGCOFEDX-BIKKEBSBSA-N	630.542	8.559	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409111387	AHWFEXIOPSLVEZ-QNVXDBMFSA-N	766.454	6.914	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1	409154760	OYAUKPKNBSAUCF-LQKURTRISA-N	528.834	5.941	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1	409161107	WMQQPZSTKWCIGM-OKCVXOCRSA-N	557.434	5.279	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1	409163053	LFMURQPPARYEKC-XKJRVUDJSA-N	547.826	5.370	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12	409179584	QJKPZVLRMHKGCV-PWJSCFPKSA-N	606.638	5.644	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	409185460	ZEIOUCOXVUYMSW-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)Nc1ccccc1	409187474	QXECDZLFOXDZEL-CFRMEGHHSA-N	503.194	5.946	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1	409210296	JVYQUPDXYJWZMU-RPPGKUMJSA-N	571.267	6.419	50	40	KKGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)cccc2[N+](=O)[O-])ccc1OC(C)=O	409219518	NJAFLPJZOWVIBM-OHUYPAJKSA-N	610.579	5.073	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccco2)cc1	409227104	XMWXOMGNRXAFRV-BVMLUPFRSA-N	566.448	5.442	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1ccccc1	409245966	BRDJGOVVANJAGR-OBLBUWMUSA-N	652.245	6.398	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)NCCCc1ccccc1	409246714	ARFAEGAIHUSORH-HAHDFKILSA-N	566.395	5.224	50	40	KKGB	
Cc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c1	409257867	RBVCWHPARBTLIK-WKULSOCRSA-N	552.266	7.016	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1Cl	409259705	CXOCAHHTRHWRBS-YVLHZVERSA-N	514.796	6.518	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409261396	BNKJZFDIGVKQHN-ODLFYWEKSA-N	568.855	6.291	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	409306166	YQAOKYMIQSBGTA-MXAYSNPKSA-N	559.329	5.229	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	409309443	HIBJTIVHDKAACE-FZPRHHONSA-N	656.904	6.884	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409323186	ORBUHLZYSROFQR-KYHGBAKBSA-N	586.472	6.137	50	40	KKGB	
N#C/C(=C/c1cc(I)c(O)c(I)c1)c1ccc(I)cc1	409370935	FERPXHVJHCUOLG-WZUFQYTHSA-N	598.947	5.270	50	40	KKGB	
O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1	409382460	MOTPTCVGZAVOTD-ZEQRLZLVSA-N	662.495	5.174	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384581	DPPGWECFLGOKAQ-LUOAPIJWSA-N	518.353	6.598	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2Br)cc1	409386528	MCWUJECFHGVEBE-UYRXBGFRSA-N	520.383	5.329	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)c1	409395805	RXBULWUGSQUXPT-UHFFFAOYSA-N	708.838	8.371	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)cc1	409395850	SKQCUAGYWUEOCR-UHFFFAOYSA-N	586.417	6.728	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409396312	XPXVBOLDEZAIIG-UHFFFAOYSA-N	616.855	6.963	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397099	GCMUVOPEFLNMDO-UHFFFAOYSA-N	617.445	7.432	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3ccc([N+](=O)[O-])cc3)o2)cc1	409404253	POEMIORVNROFLT-OJYCWLPVSA-N	607.667	6.583	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)Nc1ccc(Cl)cc1	409407196	YZUKWEBWAJGHLH-GZOMZLSJSA-N	720.020	7.862	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O	409410666	ZMUDNHNLRWVIDK-KDEYDZFDSA-N	561.510	5.381	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1	1529548906	PQEVPGXTRKDJMI-LVOLJPLZSA-N	835.462	5.231	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(OCC)c1	1529549191	UVCKGGWAKBFAOC-NZBLFOEUSA-N	763.054	5.807	50	40	KKGB	
O=C(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)I)C(F)(F)F)C(F)(F)F	1772820755	XJWBQIVIYXFFAC-HRFVKAFMSA-N	555.959	5.185	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3Cl)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1	673574	OLBYAZHIHOFXNR-WRHNGFHOSA-N	557.006	5.964	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(F)c3)nnc2-c2ccc(Cl)cc2)cc1	1896447	JZUZOCWGYZPENG-RWPZCVJISA-N	509.994	5.368	50	40	KKGB	
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)s1	2188873	JAOLWVODKCRDMS-XMMPIXPASA-N	502.709	6.552	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(=O)O)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2194244	CHAGZOXVLAVILF-OCSSWDANSA-N	543.649	5.181	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1I	3113392	IDJZMFIOWZADQN-OKCVXOCRSA-N	579.394	5.234	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)C1CCN(Cc2ccc(Br)cc2)CC1	8780755	FUJLBDYVUIRKDG-UXHLAJHPSA-N	500.440	6.118	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br	9322193	NAKAGKKORCKYQY-RIYZIHGNSA-N	508.597	5.731	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1Cl	20348473	ZFVAMEPPXHQWBY-RUZDIDTESA-N	522.070	6.062	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)c1ccc(-n2ccnc2)cc1	33413013	IXXWQSYTUBBBQL-GMEAVFFOSA-N	507.597	6.909	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2OC)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	59417175	MTIVWTXLDWGVMG-MUXKCCDJSA-N	503.433	5.577	50	40	KKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1	97980771	FKFIJRFKMNUCAG-STBIYBPSSA-N	540.428	6.350	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(N/N=C(/C)c2ccccc2Br)cc1)c1ccccc1Br	97980817	FKPUDIZRQCJHNP-FHOIBDKLSA-N	528.248	6.202	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(N)=C(C#N)[C@@H]2c1ccccc1Cl	98006207	HWOMAGDJWBHPAL-QFIPXVFZSA-N	568.555	7.078	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)N2)cc1	98048646	WNLOEIMTIQAKNS-AREMUKBSSA-N	645.059	6.835	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1	100178508	MJZOTXCYIINYGW-QJYRWMSASA-N	576.052	5.244	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	100852185	YJHBVRKBPPYAGF-HWIUFGAZSA-N	554.764	6.629	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C(C)=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100853265	DAPCBHJHLFBTCO-OFOHDJKNSA-N	539.705	6.538	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	103890234	TWUPTUWAUTWDLK-JCMHNJIXSA-N	550.873	8.179	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@@H](CCI)[C@@](C)(CCI)[C@@H]3CC[C@@]21C	104131314	KXOSGSAMSSIDCR-DEBWXVJKSA-N	626.489	9.574	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1cc(Cl)ccc1O)/N=N/c1ccc(C(=O)O)cc1	104315682	GKSLQSVMJAZWKM-WDDBZUGQSA-N	557.998	5.561	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	150370535	XBIQFVBDLBMBHT-CHSHITCJSA-N	652.094	7.437	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)c1C#N	150404171	NOCFDZDUOPUHFG-CHSHITCJSA-N	648.561	7.133	50	40	KKGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)Nc3ccc(Cc4ccc(NC(=O)NNC(=O)c5ccc6c(c5)nc(C)n6CC)cc4)cc3)ccc21	150442614	IDMSJQRRSRVFPM-UHFFFAOYSA-N	686.777	5.566	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795457	KELOXZVGGXGIJH-QZTJIDSGSA-N	742.302	11.230	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccccc1Cl	208833335	UOXSBLZRXZZWSU-VCHYOVAHSA-N	508.803	6.939	50	40	KKGB	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCCC1	245231554	GBKPKVQLURYXHU-RETDVDAXSA-N	579.078	6.778	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)Cc3ccccc3)cc2OC)ccc1OCc1ccccc1	408539191	FLQKALFUSVUPCD-HWIUFGAZSA-N	524.617	5.945	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)c(C(=O)OCC)c1C	408546513	KMRZRHOGCNKLNC-YBFXNURJSA-N	550.589	5.914	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408552245	IKCPCHNVYGYUPD-OQLLNIDSSA-N	561.219	6.025	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1cccc2ccccc12	408552579	JZKWMJJMDZNPNB-OEAKJJBVSA-N	659.549	7.780	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cccc(Cl)c1	408598582	DZIDNQCPXIJFIW-NHDPSOOVSA-N	647.681	8.346	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408638341	CGDSIRWJHUYZSB-DWLFOUALSA-N	551.829	5.711	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(I)c1OCc1ccc(Cl)cc1	408723315	TWJDDLZHTKYHPB-LGJNPRDNSA-N	535.769	5.081	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1	408724585	CARGFBYRRQOBDG-NDENLUEZSA-N	572.830	6.640	50	40	KKGB	
C[C@]1(C(=O)N/N=C(\COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc2)NC2(CCCCC2)Cc2ccccc21	408734006	CEAVAUGWNHFXFW-XTNWLZJRSA-N	601.835	7.818	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2I)cc1	408746076	XCHJIEWSKBXPDT-BKUYFWCQSA-N	508.359	6.033	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1Br	408752690	GAEHYODSWRXPGX-KGENOOAVSA-N	562.261	7.489	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1	408752791	CFNWZKDVTVRVNH-RGEXLXHISA-N	518.367	5.215	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408790560	QBYWLTOPRGQPLH-RGVLZGJSSA-N	536.382	6.107	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccccc1C#N	408795325	KVGIRSAQYNPSIT-JVWAILMASA-N	608.492	7.423	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1F	408798710	WPKOXXMZGNPVGQ-CIAFOILYSA-N	570.402	6.571	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1c(C)ccc2ccccc12	408801568	VWWFMEXTSIDJEL-BUVRLJJBSA-N	555.472	7.743	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(C)cc1	408813745	DOVYPRFEDUDULL-HMAPJEAMSA-N	505.387	6.750	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCc1ccc(Br)cc1	408823639	OCOBQRYHWBKKIX-GIJQJNRQSA-N	697.751	7.248	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408824473	HTGBTNZRBJVNIO-YDZHTSKRSA-N	648.897	7.723	50	40	KKGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408828332	MFBDSBYIVMDJRG-IZYHBKOJSA-N	750.082	6.565	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408828530	MVDJEXFBGPRTFX-LPYMAVHISA-N	608.865	8.259	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OC	408829061	NNVCSDHJOMWGEH-UVHMKAGCSA-N	601.306	5.119	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc(C)cc1	408832922	SFSFQZRMNYDWSA-YZSQISJMSA-N	539.031	7.361	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1	408840145	XZFSTDZRJXVGLP-LNTCXYMPSA-N	582.454	6.393	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408840465	YXTKJVDJUCOUHT-XZYGTATASA-N	676.520	6.109	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842083	IKDKQOZXSYJWPM-AABVJFSESA-N	607.950	8.857	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)o2)cc1	408845255	LROFKQZISFKUKX-OOAXWGSJSA-N	539.657	5.245	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(C)(=O)=O	408859221	NEIULEDHUBZUHJ-OCSSWDANSA-N	536.053	5.297	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1cc(C)cc(C)c1	408881656	LZVRJZGSYQJRFM-YDZHTSKRSA-N	566.439	6.740	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Br)ccc3ccccc23)cc1	408883468	USGKPKDNRVFGAT-PTGBLXJZSA-N	511.419	7.137	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccc(Br)cc1	408888508	WHHFOCRKTGEEEV-WOJGMQOQSA-N	635.150	7.416	50	40	KKGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCc1ccc(Cl)cc1Cl	408895103	LZKFNQJHRSSAMG-KCSSXMTESA-N	535.427	5.967	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OCc1ccccc1Cl	408897555	YBZZMFVAIPCEBD-LICLKQGHSA-N	670.672	6.682	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1c(Cl)cccc1Cl	408897878	JFFGAKBWMMXCAC-LFIBNONCSA-N	579.221	6.731	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Br	408898111	UPAZGYOQTOFNOE-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925561	SCYGKCPGKIIURI-MUFRIFMGSA-N	596.459	5.101	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408926743	YBHGCAUUFCXQJG-UDWIEESQSA-N	598.475	5.346	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408933352	AXDOPYZBTSOFNL-CLHYIUPASA-N	655.524	7.144	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	408941785	QNMFDEXFJFPYQC-MUFRIFMGSA-N	532.493	5.632	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408943748	LZMXRNXKEPLYKY-MUXKCCDJSA-N	536.382	5.294	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCc2ccc(Br)cc2)c(OC)c1	408948032	BSHYCGWLBWOUEB-SXWOMVPGSA-N	807.436	5.370	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408948274	CNUVRJRORZGADZ-ILBQVMEMSA-N	710.398	6.608	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)c(OC)c1	408948622	CZCPXWCDKJWWAF-VIIJZLMMSA-N	701.176	6.200	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1cccc2ccccc12	408956471	XEEOJZUJYQPRNJ-MYYYXRDXSA-N	627.482	6.779	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408968187	ZWUTXDCTRDYHFP-RPPGKUMJSA-N	573.197	6.209	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I	408984438	RARJKHMCEOTRGF-MLPAPPSSSA-N	545.602	5.960	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408986544	MWKAKROCHDYBQM-WQRHYEAKSA-N	526.774	6.444	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCC(=O)O	409013843	NTEHCQHRJHNALB-KTZMUZOWSA-N	621.609	5.079	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)ccc1I	409038509	VTFIVIDXYQZGIV-KCSSXMTESA-N	584.461	6.986	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCc1cccc2ccccc12	409070746	OUAMWHCCYQQQBY-OVVQPSECSA-N	532.596	6.488	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(F)cc1	409079392	FRMIRNMETIIUNU-NTEUORMPSA-N	550.262	6.853	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccccc2)cc(I)c1OCc1ccc2ccccc2c1	409088446	FLYIXTKOUNLPIL-RHANQZHGSA-N	565.411	6.578	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(I)c1)S(=O)(=O)c1ccc(Cl)cc1	409136087	WVDMZSDZCUHNKX-WPWMEQJKSA-N	611.889	5.079	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)c3ccccc3Cl)C(C)C)o2)c(Br)c1	409151003	FVDGOJZKQIWEFC-IQFHQVDXSA-N	516.823	5.576	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc(I)c1OCc1ccc(C)cc1	409197784	OTUITJMZYGLSRJ-NDENLUEZSA-N	530.406	5.543	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409217621	DSFWLRPYOIFLJL-XDHOZWIPSA-N	659.864	5.693	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccco2)cc1	409222261	CCELOYBJJFOBJB-CNCDYAKUSA-N	555.896	6.187	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409248882	HQNAUVQQUVEMKP-BKUYFWCQSA-N	578.463	6.036	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	409250033	MDKNHIFSURGWHY-BDLQZBCKSA-N	504.368	5.261	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	409250038	MDKNHIFSURGWHY-KZZLEIPFSA-N	504.368	5.261	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)ccc4OCC(N)=O)cc3)cs2)cc1	409251742	QLVZCCOQHDMIJO-DBFSUHOCSA-N	520.014	5.144	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409260591	SOQABHBOJFHKHV-WKIKZPBSSA-N	531.352	5.082	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1	409262042	CFIZKQDUNLTAES-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1	409268012	XSMBLMXUPUUMBM-WQRHYEAKSA-N	524.360	5.343	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409303164	LVYCORYBVSLUDL-CNCDYAKUSA-N	638.393	6.904	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC	409333964	KPGBIYQEJMIAOO-MUXKCCDJSA-N	666.279	6.772	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409364568	QFMJRIBPVCQADW-GZTJUZNOSA-N	524.346	5.160	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1O	409372819	REVKEWVGBJMDTH-BHGWPJFGSA-N	549.175	5.168	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)[nH]c2c1	409374552	SSLDYGNFSYFRTJ-MFOYZWKCSA-N	557.673	7.693	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1	409381706	VSWMQWRUCOCCSX-UYRXBGFRSA-N	520.383	5.329	50	40	KKGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cc4cc(Br)cc(OC)c4o3)c3ccccc32)o1	409391694	JMBAHYSTBXFQLB-KVSWJAHQSA-N	550.365	5.350	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395155	KLQCXRKYZCOAKM-UHFFFAOYSA-N	625.281	8.026	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409398933	WQDNBIYAVWWIKJ-UHFFFAOYSA-N	507.521	5.966	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409399491	JGHGKMTUTVJUSI-CPJHJSKFSA-N	638.515	6.132	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccccc1Cl	409400896	RPJJPTKVKNEQQE-VHFSBPNMSA-N	618.517	7.924	50	40	KKGB	
COC(=O)[C@H](C)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401945	ISVXYOFONGUDND-KUVSIYKGSA-N	594.462	5.733	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccc(Cl)cc1	409406630	XIRWARZQENTXEX-UHFFFAOYSA-N	661.542	7.363	50	40	KKGB	
O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	885164095	IYIWNDVRYJOVNG-UHFFFAOYSA-N	866.221	10.365	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)c1cccc(Br)c1	3085939	PWCBJJHGZDGHAO-UFFVCSGVSA-N	503.359	5.475	50	40	KKGB	
CCOC(=O)C1=C(CP(=O)(c2ccccc2)c2ccccc2)N(C)C(=S)N(C)[C@@H]1c1ccc(Cl)cc1	3339704	QEQSBWCSTWYUEC-AREMUKBSSA-N	539.037	5.375	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)ccc1OCc1cccc(Cl)c1	6600617	LTAARLVGUWSONC-JEPNHJGPSA-N	554.090	6.640	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	8426859	KHUMSHOWJFLTIS-FMFFXOCNSA-N	595.508	5.981	50	40	KKGB	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	9075545	VIOXQPUPWUYJFW-VGOFMYFVSA-N	503.299	6.762	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc(-c2ccccc2)cc1	9427469	JJJQEJQLZJWLHS-AWSUPERCSA-N	523.706	7.058	50	40	KKGB	
COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OCc1c(Cl)cccc1Cl	11666777	IHRAGUWYDKANFZ-UHFFFAOYSA-N	515.437	6.542	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	12528669	CFHDCVRHVAVBEL-CPNJWEJPSA-N	525.531	5.504	50	40	KKGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	20170676	DQKZJWRVKSOGPV-FXBPSFAMSA-N	514.607	5.392	50	40	KKGB	
CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc(Br)c1O	56683788	VBOYROZTAOUDDO-MRXNPFEDSA-N	520.836	5.426	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)ccc1OC(=O)c1ccc(Br)cc1	59211803	MWTBRUWEIPFGEQ-WKULSOCRSA-N	539.426	5.521	50	40	KKGB	
CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)s1	59498842	ZFZAEFUTCPNQCV-RPPGKUMJSA-N	520.442	5.101	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4Cl)S(C)(=O)=O)cc3)cc2)cc1	59888543	AEPAXYFXQXAFFF-HNSNBQBZSA-N	621.115	5.096	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3Br)c2C)cc1C	100100543	AWNGKBZKILYMOV-KKMKTNMSSA-N	563.359	6.619	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)c1	100330223	PHFJSTNOBMYZJA-FABQOPTDSA-N	614.646	5.476	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	100343429	CPROVYXNUSLTJJ-APTWKGOFSA-N	604.729	5.082	50	40	KKGB	
Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccc(Br)cc3)C2=O)c1	100990637	BUHGVCKGMNGMHY-JSIHEXFSSA-N	522.424	5.093	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1)N2	101147834	NCAUWHCQRGJPCQ-DQXGGZLGSA-N	515.418	6.985	50	40	KKGB	
C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)COc1ccc(Br)cc1Br	101471741	IUCRMJFEZJDVFS-YSURURNPSA-N	552.050	5.418	50	40	KKGB	
N#CC1=C(N)N(Cc2ccccc2)C(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)C12CCCCC2	102413911	OFLHYPZUTMDDHO-UHFFFAOYSA-N	548.510	6.016	50	40	KKGB	
C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](C(=O)O)N2	102713223	CNUOJWXPQWZPJF-AXIXXIBNSA-N	530.046	5.360	50	40	KKGB	
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)C[C@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1	115598749	BQUNSIYVDVZZEA-LQJZCPKCSA-N	552.723	8.887	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342309	YLVXGUNGKZSSIL-REOHCLBHSA-N	892.044	10.928	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)c(C#N)c1C	408546686	MRISWGVFYNCVGY-UDWIEESQSA-N	504.995	6.056	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(N3CCCCC3)o2)c(C#N)c1C	408547213	VLBOVGHUCYYLGW-OQLLNIDSSA-N	516.417	5.169	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551638	OTZBKRUAZWPIBA-DJKKODMXSA-N	533.440	6.802	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1	408551984	QMNYQHRKHDWVGT-UUYOSTAYSA-N	509.230	8.552	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408552066	GZFYWDQVKYDXLT-OVCLIPMQSA-N	568.766	7.229	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408552485	IXLURDRAZWLDDL-WOJGMQOQSA-N	623.504	6.362	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(F)c(Cl)c1	408568242	IMWFRFNCPLAVMC-UVHMKAGCSA-N	504.052	5.894	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1	408568554	VDIFDDMNHBSXPF-ZMFRSBBQSA-N	532.778	5.752	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408568939	LOIQSCWDVHYFNO-KBVAKVRCSA-N	593.568	7.189	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1Cl	408592039	XESSVQXTLAVTIT-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	408606704	AIDMWGKTXPDTPD-IPBVOBEMSA-N	541.218	5.977	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1	408610133	MJWBKQKYFOKTOY-OGLMXYFKSA-N	524.415	5.296	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OCc1ccccc1Cl	408610872	UUZIIMLJTGNXGS-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O	408643781	PYXLBGYZMPWAHG-NRFANRHFSA-N	550.225	6.181	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408689845	ZFGDNXPNQCJZDB-SEXKYXSUSA-N	589.111	5.473	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408725500	JESQUJOSQGAJDT-IUXPMGMMSA-N	615.092	8.012	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408744961	IUAMTUKNNDOQCG-SXGWCWSVSA-N	583.640	7.376	50	40	KKGB	
CCc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(Br)cc3Br)c2C)cc1	408760084	RIGKAIZNOWKOLC-ZMFRSBBQSA-N	533.264	5.711	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccc(Cl)cc1Cl	408765734	NMXZILNQHCPBLS-JAIQZWGSSA-N	572.286	7.618	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccc(Cl)cc1Cl	408769294	QOORMYAGCKINQW-JAIQZWGSSA-N	511.405	6.914	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)c1ccc(Br)cc1	408774228	YJOMECAXKQVSRI-XGICHPGQSA-N	609.983	5.186	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408792571	LBKKABRPCUDAQN-RGVLZGJSSA-N	565.376	5.067	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1cccc2ccccc12	408792704	CAFSBTNVHBZLDF-FYJGNVAPSA-N	547.836	7.389	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)c(OC)cc1Cl	408823360	FCMDXLZQAKLNDL-VCHYOVAHSA-N	557.828	6.253	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408824203	HHQUABBOVKQLEH-XSFVSMFZSA-N	525.830	7.016	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408826285	CVHZCNZXOXYGFO-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(C)cc2C)cc1	408826328	GEXPFLTUTUKNNF-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2)cc1	408838907	JYWQJJZOHZMUCJ-HNSNBQBZSA-N	532.669	7.513	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4ccc(Cl)c(Cl)c4)cc3)cs2)cc1	408842246	JNIUNTVKKVQCSX-QNVXDBMFSA-N	666.428	9.274	50	40	KKGB	
Cc1c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccccc1C#N	408842754	BCGCYUXRRWBIHI-MNDYBZJGSA-N	511.379	6.142	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408843468	MWJIVPMNOFKJND-WHQPAHRZSA-N	737.223	9.009	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408855776	DNIGIQPTNGLQSI-QNKGDIEWSA-N	571.699	5.627	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408859137	TXMBPZLWUCHTAO-XMEUFVCPSA-N	589.932	5.953	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	408864726	YRPGGZIIBZLCID-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(I)c1OCc1cccc2ccccc12	408882745	SBNGWPWIDBVXMU-FJEPWZHXSA-N	600.840	6.215	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1	408885464	AIWUNCKXHBKKBG-OQLLNIDSSA-N	637.262	5.442	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408890782	ZBFCHBYDYSGSPN-GZTJUZNOSA-N	545.806	6.819	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1cccc2ccccc12	408897428	WYBBIXVKXVDLKK-WSDLNYQXSA-N	572.415	6.952	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Br	408901024	ZIQQCGPOFITMPW-UDWIEESQSA-N	570.281	7.043	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2I)c1	408921378	AQQOCNPUWWEEBG-KKMKTNMSSA-N	699.377	6.635	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408946885	MYCBRAFUTCEMJB-MHZLTWQESA-N	696.440	6.764	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC(=O)Nc1ccccc1	408948856	RPWYBVKUKDTZFH-IDWIKUEFSA-N	637.534	7.005	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c(OC)c1	408955811	PJMPBQFLCQDMRK-GHUOZWDFSA-N	615.731	5.120	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C#N)cc3)c(OCC)c2)c(OC)c1	408958006	XBLDINUZUBQRDI-ODZZBMNLSA-N	720.577	5.027	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(C)cc1	408962305	HAEJJGLQGZHSEE-AMVVHIIESA-N	535.360	6.518	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408970761	DHEHIAYHEMFMPK-XVTPYAIASA-N	733.874	7.642	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)ccc1OCC(=O)Nc1ccccc1OC	409009447	GAMWDXTUUAETMC-NUJZUDFISA-N	635.309	5.166	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1	409010394	KHORKCQTWISUPH-AQLQTECXSA-N	626.305	5.615	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	409023993	GLRXUMXVDBPYOT-VUTHCHCSSA-N	507.656	5.136	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	409035182	JBKMJJCPJIXRAP-MUFRIFMGSA-N	545.462	6.401	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)c(OCc2ccc(I)cc2)c1	409063017	FOHKDNRTRMYKAY-LQKURTRISA-N	561.851	6.134	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OS(=O)(=O)c1ccccc1	409071526	GTCPWEIKTBDBGT-LFIBNONCSA-N	594.814	5.267	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409082613	JOCSDMPABRLXPJ-LFIBNONCSA-N	508.874	5.893	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409120850	VGFDJBMGDWIKTM-IZYHBKOJSA-N	763.063	6.070	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1)Nc1cc(Cl)cc(Cl)c1	409166843	GIIBMLAIKDONCT-IPBVOBEMSA-N	598.668	5.516	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)cc2c1	409186801	HZSQCIHHFWMXCQ-NUJZUDFISA-N	554.372	5.515	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409220102	YENAUSDUFFWPLF-CXUHLZMHSA-N	541.347	5.473	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409225518	QOYNBCKSAJSXNE-XDHOZWIPSA-N	505.958	5.316	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1OCC	409226811	VRZAIZUTBBFFDZ-LVSSKCPKSA-N	769.874	8.297	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(I)cc1	409242782	TUQILVAFRMAICK-QLTNSANVSA-N	678.308	6.658	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)c1	409249508	ITWMEEYHMHQQBL-NVMNQCDNSA-N	539.375	6.082	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409251998	RDLFNSOJLAPWFA-KMUKQRDJSA-N	670.589	7.496	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br)Nc1ccccc1Cl	409257957	VEMXJTJWWKWPRH-ZRGSRPPYSA-N	565.649	5.646	50	40	KKGB	
O=C(COc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1)Nc1ccccc1Cl	409262661	IMLOFHFCBGZUAT-KVAAJVFYSA-N	616.530	7.642	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)c(C)c1	409264842	GGQOQXCJUXICBS-NVMNQCDNSA-N	628.277	6.300	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)cc1C	409268096	ZMUSEVUCNXBSPD-NHDPSOOVSA-N	522.432	6.790	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1OCC	409318096	XARMTUCPGMTDLI-OHUYPAJKSA-N	640.372	7.895	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc3ccccc23)cc1OC	409328133	ZOKOWGCRXHPGLI-LQNQUEJISA-N	533.422	6.353	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1OC	409334969	NOSPEXBYYIZIER-PPDIBHTLSA-N	627.127	6.334	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409357585	AGPCQTUIEARKEY-NUJZUDFISA-N	597.280	6.577	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(I)cc4)c(Br)c3)[nH]c2c1	409372403	DLEMJHKEKZTNIR-MFOYZWKCSA-N	604.673	7.535	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1cccc2ccccc12	409372716	HKNZSQMPTVFKOR-ALQBTCKLSA-N	583.482	7.506	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2n1Cc1ccc(Br)cc1	409385563	LITZRUBCRNDMPD-CCVNUDIWSA-N	547.434	6.647	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1OCc1ccc(C)cc1	409385594	LTMHBGOSUABHEI-OCSSWDANSA-N	529.618	6.588	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409393194	VLDNEWHTQWRJLB-CAQPMQTCSA-N	610.879	6.814	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409396559	ZBJWULFCPAWSTL-UHFFFAOYSA-N	757.794	8.069	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397227	HPIQYCMYNHLQJR-UHFFFAOYSA-N	628.081	6.896	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)o2)cc1	409403498	NFYQHIHRSUMENR-WBFBQHAKSA-N	681.620	9.323	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1O[C@@H](C)CC	409403762	NUJSFVUIYODHDV-ZBLBMXTLSA-N	564.082	7.259	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1[N+](=O)[O-]	409406391	WNWFTILESPSTSQ-VHFSBPNMSA-N	700.546	7.027	50	40	KKGB	
COc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)NNC(=O)c4ccc(C)cc4)sc3n2)cc1	878038	VPVCMPOTOMWAPN-UHFFFAOYSA-N	508.603	5.604	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1COc1ccc(Cl)cc1Cl	1791740	ZYBHMPORQKJFLP-KVSWJAHQSA-N	519.837	7.213	50	40	KKGB	
COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	1824282	VOAINIHVEXCRSP-FDAWAROLSA-N	541.677	5.569	50	40	KKGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1	1899704	MKAYWTVDFLTCPH-KCSSXMTESA-N	573.719	5.808	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)cc1	2342216	ZHZVOJPFAFSIBF-BDPHVXEFSA-N	508.430	6.367	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1cc(Br)ccc1F	2706041	AUXYSGQRSQGOMX-KKMKTNMSSA-N	590.272	5.292	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)nnc2-c2cccnc2)cc1	2710168	NMPRCPNVNBPSBS-OCSSWDANSA-N	514.655	5.268	50	40	KKGB	
CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccccc3)C2=O)cc1	12273769	KBTQMVAYQUBJLW-GHRJURJJSA-N	509.675	5.814	50	40	KKGB	
O=C(N/N=C/c1cccc(Cl)c1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	20059440	OOCHCHPCWXQUEG-VUTHCHCSSA-N	504.011	5.499	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(Cl)c3Cl)n2-c2ccccc2)cc1OC	97951510	XEZLKPZORWCDBW-MUXKCCDJSA-N	542.448	5.501	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(OCC)cc1	97951684	HWCDCPMVPBKFMZ-SANMLTNESA-N	538.069	5.844	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(Cl)c(Cl)c1	97968532	YSHKZPPOOMHYNP-FJEPWZHXSA-N	557.528	6.265	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	97999634	DGVYOHWUMVCRKZ-LJAQVGFWSA-N	574.102	6.324	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12	98006152	VIJCHVAGWGRBFP-AREMUKBSSA-N	580.617	5.260	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1)S(=O)(=O)c1ccccc1	100103067	ALUHKGUPXSZQOQ-DPNNOFEESA-N	606.169	6.302	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccc2c(c1)OCO2	100178547	AAVHDAGBXWGPFM-WECHFZHBSA-N	576.008	5.035	50	40	KKGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	100238504	BBRLIPZCYCQVLN-VOWJQMTESA-N	545.463	6.334	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)cc2)CC1	100290271	ZNVQSYJMVRMHEO-JEPNHJGPSA-N	590.555	6.496	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	100343694	CYPOGAHVJPPKIU-KCSSXMTESA-N	603.701	5.282	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2	100405713	MKABVACYKAAYKS-MHDJOFBISA-N	572.008	5.956	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3c4ccccc4cc4ccccc34)nnc2-c2ccncc2)cc1	100853355	PXMKXUWJODUVHY-HNSNBQBZSA-N	528.641	6.187	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(Br)cc1	100974192	VQEAQCITUDPQOA-MUFRIFMGSA-N	567.534	5.721	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(OCC)cc3)=C(C#N)[C@H]2c2ccco2)cc1	102512707	LMCHHQLMGKEXKN-NDEPHWFRSA-N	586.670	5.562	50	40	KKGB	
CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4c(s3)C[C@H](C)CC4)ccc21	102940715	WNZPZFVYQIAJRS-DNQXDJSBSA-N	539.708	8.313	50	40	KKGB	
CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528008	PUDKWXNINVMRRR-SSDOTTSWSA-N	544.133	7.499	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1	105436654	QCCCAYBFCCGZLB-PPOKSSTKSA-N	579.678	5.773	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1	105482683	ZIXZYBZDXZIIHW-RPPGKUMJSA-N	595.777	5.213	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)cc(Br)c1OCc1ccc(Cl)cc1Cl	105508908	QANYABFKIWKHJT-KBKYJPHKSA-N	524.198	5.813	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)OCCO1	105575938	NNILUHDCIHXBHM-BHGWPJFGSA-N	546.643	5.047	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccco1	112264383	WWZFADWBDKTPKE-AUEPDCJTSA-N	606.585	5.485	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@@]4(Br)C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	118933553	FTMKSVKJLVFTLW-BZYDGCPMSA-N	564.918	9.606	50	40	KKGB	
FC(F)(F)COP1(OCC(F)(F)F)=NP(OCC(F)(F)F)(OCC(F)(F)F)=NP(c2ccccc2)(c2ccccc2)=N1	195767908	FRDNGEFVJIKEAD-UHFFFAOYSA-N	685.279	8.975	50	40	KKGB	
ClCCC[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1	195779623	IQAAOSWQOLDMAD-UHFFFAOYSA-N	978.099	11.003	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC[C@@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)ccc1O	253617062	ACWUUWIBURCOOJ-MLVFMSAGSA-N	540.745	5.258	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2OCC)ccc1OCc1ccccc1	408538500	NWZPYBDWQIXOLH-QQXSKIMKSA-N	661.980	8.604	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1Br	408538650	BAYJNOGJSLBMQS-QQXSKIMKSA-N	524.297	7.023	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CC2=O)cc1	408612768	YQHRVMUAXIQQKV-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(I)cc1	408711991	UJLJYZJHANTLCW-OPEKNORGSA-N	753.072	5.752	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1	408726623	SDEWHRFXDVXMSU-HPNXWYHWSA-N	557.053	7.689	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408727272	QWUONKQKVQXNGV-DHRITJCHSA-N	547.203	5.392	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1Cl	408734182	FJGDCUOHLPRBHI-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)c1	408745435	SEXHXWWLMCFUHC-JMIUGGIZSA-N	551.238	6.516	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc(Br)c2)cc1	408749745	SVCZUIFGMGHZAA-ZMOGYAJESA-N	552.244	5.052	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408752701	JMLFCYAOWRVZGT-APSNUPSMSA-N	566.666	7.543	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)c(OC)c1	408768349	WJANVDXTGADNEW-STZFKDTASA-N	538.385	5.987	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408778807	LKKXKHPKHRPKSO-YVLHZVERSA-N	614.352	6.153	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408794561	JNBGQGBPYVQFHQ-FRKPEAEDSA-N	570.687	8.477	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2cc(Br)ccc2o1	408819426	SAVDKOYOJRVKBQ-FXMZOFOKSA-N	644.090	7.450	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)c(C)c3)c(OC)c2)c(OC)cc1Cl	408834741	WZHHSDFTQSOLDR-AWQFTUOYSA-N	585.882	6.870	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408836545	SJCRQRPXNRNODE-VQWGYEAZSA-N	815.754	6.657	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1c(C)ccc2ccccc12	408836668	UDWRRQRWWUJLJK-ZTKZIYFRSA-N	647.569	9.013	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)cc1	408851301	BAHQFKXXUXVGMU-PMVZMBLOSA-N	539.657	5.764	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Cl)cc1	408853453	SQUFKRCKUWSKHM-UVHMKAGCSA-N	578.872	6.231	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccccc2)c1	408862170	DBHWZJKGZKTKNE-KEIPNQJHSA-N	621.115	5.345	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3Br)c(OC)c2)cc1	408868958	QDSOTADRQIGAQZ-WOJGMQOQSA-N	603.254	6.207	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	408887802	QZSIZNWFKZWLFV-CXUHLZMHSA-N	560.777	6.719	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408889071	DGFFXLGEZSGSHP-UDWIEESQSA-N	602.450	5.538	50	40	KKGB	
O=C(Oc1ccccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc2ccccc12	408892704	BXXRPVPUZCAJOD-STKMKYKTSA-N	500.554	5.445	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1Cl	408892967	DNVNVFDIXUDOHD-WOJGMQOQSA-N	593.248	7.121	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408903847	AGJYZJNUBNPYEE-ULPWCQAASA-N	607.244	7.152	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(F)cc1	408927254	ZXUMOMBAJHOQDJ-VCHYOVAHSA-N	572.330	5.262	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccc(F)cc2)c2ccccc12	408943734	IDSSYZNFCDKEPB-WJOKGBTCSA-N	613.715	5.022	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	408949621	RJISOQDUJGMQOL-MHZLTWQESA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c(OC)c1	408953634	MFVYAIGKQJIDOR-SXWOMVPGSA-N	715.985	5.419	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c(OC)c1	408955520	OUABBXPRUFJIBT-XGBIICRQSA-N	657.123	5.801	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1	408969823	VDRPFAROOAAHDK-RIDWNQMISA-N	625.465	5.815	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc(C)c1	409014603	NGIYMAVWQZMKGS-ZZEVNCIZSA-N	552.071	5.296	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1ccc(F)cc1	409020859	UVIOLWBYJATFBG-PNQUVVCRSA-N	716.139	7.443	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409022523	ACROILCCQRTMTR-CNCDYAKUSA-N	595.425	5.082	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	409027866	HYPKWXYWQFMOBS-OCSSWDANSA-N	539.032	5.232	50	40	KKGB	
CCOc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409037262	SYJDRPAEJPSCDH-MBTHVWNTSA-N	647.254	6.274	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)c1	409044035	ANOZMSFZTHICGN-CAOOACKPSA-N	595.118	7.952	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409086970	XQIKKXUHWSALDL-OVCLIPMQSA-N	621.322	7.021	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(Br)cc1	409095156	GZOJLGCENIWLMV-RUZDIDTESA-N	521.367	5.374	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	409259454	ZHRRUHKYEHIGLH-ODQASSKESA-N	753.904	8.822	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	409263754	OAEVZODDTSLBNB-MFOYZWKCSA-N	614.250	5.991	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)c1C	409266529	ZNARXNVPAAOBGH-YLYVUXRMSA-N	679.029	8.912	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(N)=O	409270185	CXEXXKZHPVTVJH-PNQUVVCRSA-N	661.909	5.448	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Br)c1	409270191	CYLVHILLYXMRAC-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409270790	RCVQJQQVDJRGDW-ZDLGFXPLSA-N	510.377	5.874	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)ccc1OC	409321428	HNTXHWBTQYAIMD-ACXHZZMFSA-N	612.318	7.115	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1OCC	409324039	QWGITKNOOHTGDP-MWLSYYOVSA-N	501.410	6.524	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2OC)cc1	409370402	QGVHXWKHNCTGLZ-VHFSBPNMSA-N	656.164	7.314	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccccc1Cl	409372589	FIRNSQFQRWSSEG-ZDLGFXPLSA-N	555.803	6.781	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(I)c1	409373976	WQVOJRGYAKWZBO-WKULSOCRSA-N	570.814	6.449	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)n1	409382370	KTMYYXKAWNQLNT-CAOOACKPSA-N	654.202	5.444	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccccc1	409394988	IMMHKXIFUBCTIS-UHFFFAOYSA-N	606.398	7.599	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1	409395029	IZHBPWUPKPLFDF-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395876	SSNPUXOXHUWPOL-UHFFFAOYSA-N	652.288	7.796	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cccc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409397385	JGMDQFILAOXZGT-UHFFFAOYSA-N	646.527	7.931	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398309	SLWFTGVMLCWPSZ-UHFFFAOYSA-N	718.762	8.391	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409400505	DMLDKPYTGRURAP-CPDSRJINSA-N	629.305	6.480	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCC(=O)Nc3ccc(F)cc3)o2)cc1	409405425	TZWCBZPHNAXXIY-RODHXAHZSA-N	704.509	6.857	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)OC(C)C	409405698	URPQJKRKRROACJ-DLCNMLRHSA-N	608.091	6.413	50	40	KKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409406133	WBAXZDWDTJLKHA-ZDSCIVGOSA-N	520.029	6.861	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409407223	ZDSKTOFUBHKUFQ-CPJHJSKFSA-N	685.515	5.974	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(OC)c1	1529548099	XSQKFZPRRMRWPA-NSJAHCMFSA-N	673.191	5.966	50	40	KKGB	
COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCC[C@H](C(=O)O)S(=O)(=O)O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2	1777699054	GQSPYHXXAXFCRB-GDIOMXPHSA-N	978.602	5.186	50	40	KKGB	
CCCCCCCCCCCCCCCCCCOC(=O)COC(=O)[C@H](Cc1ccc(OC(=O)CBr)cc1)NC(=O)CCc1ccc(OC(=O)CBr)cc1	2060989305	YZTLMLALIXBELY-QNGWXLTQSA-N	881.740	9.295	50	40	KKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	1087053	QQNLHBVXZUNBQD-VULFUBBASA-N	520.343	5.158	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3cccc(Cl)c3)cc2)sc2c1CCCC2	1785618	QSHGQUCXYJQYCB-YEVVNVGGSA-N	554.068	5.627	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	2805913	ZXFYXHFTMQTVEO-FYJGNVAPSA-N	506.911	7.637	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1)N2	6074203	VXGPQPGYHSWFFF-YPOOPGCJSA-N	513.446	7.489	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	8439832	RJPRGANNEJHIPO-FADJLKOXSA-N	635.142	5.654	50	40	KKGB	
CCCCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	8449609	NIRMOMHGUKKFAF-SPXUEHIWSA-N	569.334	6.015	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC	8826766	GDWPBLMMQZYVAW-QDTIIGTASA-N	519.432	5.196	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccc(Cl)cc3)nc12	9344653	OWYJTUNGMROLIZ-DEDYPNTBSA-N	512.374	5.440	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1	19949584	MZRFMAQXZNGBBF-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)=C(C#N)[C@@H]1c1cccs1	97971453	NDGVFSURIWCGKL-XMMPIXPASA-N	562.639	5.260	50	40	KKGB	
O=C1c2ccccc2O[P@@](=O)(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1c1ccccc1	98007316	CROGZCUQLPKTDT-LHEWISCISA-N	534.492	7.012	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1cocc1/C=N\NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C	100080311	HERUCOFYFAGMOX-QUQXUWDNSA-N	538.604	5.586	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)c1	100122907	MHLFSXFSEAWYNV-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc2C)cc1	100123278	BDPALJUBYSNPMD-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(OCC)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	100211489	DCMVDGYLNVHAGO-UZWMFBFFSA-N	589.670	5.176	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)cc1	100227555	SKIDHVRRDSIBQJ-NDENLUEZSA-N	572.830	6.776	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240764	BDHFYYTXUXZFJJ-STBIYBPSSA-N	583.022	5.253	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccccc2)cc1	100350379	HYSSVKNYLFBEML-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(OC)cc2)=C(C#N)[C@H]1c1ccco1	101156218	VTHKSLILUIVSGJ-SANMLTNESA-N	543.601	5.026	50	40	KKGB	
CC(=O)N/C(=C(\S)SCc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102618797	JZHCGOQYPBXPIP-ZIADKAODSA-O	500.649	6.106	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	103884676	OSDHUENJSOTZFD-ITYLOYPMSA-N	576.524	6.955	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341926	SLPXPPLYWSKAHU-NRFANRHFSA-N	690.504	12.325	50	40	KKGB	
FC(F)(F)C[C@H](I)CCCCCCCCCCC[C@@H](I)CC(F)(F)F	169795409	NNVOPKBQBXNSJG-HUUCEWRRSA-N	600.207	8.790	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@H]([C@@H]3ON=C(c4ccccc4)[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	169811304	PCPWWUPRFBJKIV-OOWNPLFKSA-N	613.634	6.821	50	40	KKGB	
CC(C)[Si](OC1=C(c2ccccc2)[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCC1)(C(C)C)C(C)C	195771037	IRPIUZBTCRUAMV-PNNPJSGBSA-N	520.746	7.880	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408540454	SBDCABPFWLPFPB-ICUTVXMZSA-N	560.650	7.169	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1cccc(C)c1	408567015	CEPKQCKLNYUWRN-WKULSOCRSA-N	634.561	6.195	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCC(=O)Nc1ccccc1	408567667	GBSOTFAXUSRIMG-WKULSOCRSA-N	616.559	5.483	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408608362	HGOOQKHLVNAXST-HRXXRIAWSA-N	514.409	5.299	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408640272	HTZPYLOTVBFPQI-BAGSCIOBSA-N	553.845	5.791	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1)NNC(=O)c1ccc(Cl)cc1	408648312	XJBAQXPYCQKXPO-UHFFFAOYSA-N	560.459	5.258	50	40	KKGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408720352	ZVTLJPXDKFRYND-KKMKTNMSSA-N	538.294	6.718	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408727612	FRQYLKQKQNCICI-MUFRIFMGSA-N	567.023	5.064	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408741538	JKVCEYHOMFCPCD-QNGOZBTKSA-N	523.505	6.249	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(Br)cc1	408745756	ADWRXRAUZVVNEH-NDENLUEZSA-N	735.157	7.936	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408746713	GBQISEUKLDDFFD-BJUCDSOZSA-N	710.193	7.326	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1I	408748163	ZKHJHWWYDCWRGJ-DHRITJCHSA-N	508.400	5.364	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408755117	UCNRSADOHJGWGN-XSFVSMFZSA-N	622.453	6.223	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408759078	XLPOJPKWCOIGBU-XSFVSMFZSA-N	529.530	5.070	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408765839	QOKWMSOIRQPDIE-PDGQHHTCSA-N	667.319	6.074	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408773693	SYHKIKMQGHNWCX-CINMUMEISA-N	591.513	6.643	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408797323	QVQNMQYIRHPYSA-CAOOACKPSA-N	595.118	7.952	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1c(C)ccc2ccccc12	408809503	RUMDFBKZLXLASU-ZVHZXABRSA-N	555.472	7.661	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OCc2ccc(Cl)c(Cl)c2)c1	408821747	ANNDTHSAYWCCQT-HZHRSRAPSA-N	638.345	8.468	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408830864	TVBUBBBLXMCOOE-XBQJKBNESA-N	605.716	6.434	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1cccc(Cl)c1	408835410	WUVXRCMKINFEPG-ZVHZXABRSA-N	699.372	8.700	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408839127	NLWHRILIIZRBNS-PTEHHBOZSA-N	746.264	8.969	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc2c(c1)OCO2	408848808	URZQOSRRBXUSJY-CFRMEGHHSA-N	584.470	6.232	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc2c(c1)OCO2	408856277	JPXKZZYRSAFJRP-QDTIIGTASA-N	537.366	5.666	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1	408862030	WOIYXZZFTOTLCV-JFLMPSFJSA-N	520.438	5.046	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2cc(Cl)cc(Cl)c2)cc1	408863516	SKKJQQHHENAWET-VFLNYLIXSA-N	544.382	5.666	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1Cc1ccccc1F	408874610	CLSBKHXCURLDEJ-WOJGMQOQSA-N	513.794	6.777	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408880996	LPGOYQXIZMHTKY-RPPGKUMJSA-N	575.282	6.174	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408887952	VIQYJVJEHJCBGT-RQZCQDPDSA-N	591.245	7.187	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2OC)cc1	408922852	GVXLTIBMACWITC-FMFFXOCNSA-N	596.746	5.855	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408936041	FCEMLYDLFLVUGY-KALUYTGESA-N	583.664	5.500	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2F)c(I)c1	408944204	ISSGOUZFEQNSKV-MHZLTWQESA-N	828.442	5.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1	408949437	QYOOESBSCWFBHZ-NDEPHWFRSA-N	716.010	5.295	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)c(OC)c1	408953581	MDWHKBHWKNYPST-VOSMKULASA-N	748.400	5.658	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1C#N	408978810	KKLYERHQAIUIRC-MCJRRVPSSA-N	532.600	5.157	50	40	KKGB	
COCc1cc(C)nc(SCC(=O)N/N=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C#N	409002597	VLFHPDZWFZFAJU-FTCYSYDXSA-N	515.561	5.077	50	40	KKGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	409007158	UDEFOSFNQDXFIC-KCSSXMTESA-N	566.054	5.399	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409021124	YEPIBWZGSUFFIB-YCPBAFNGSA-N	680.087	5.277	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)c1	409041912	KUQMLQQLCMNNFQ-WOJGMQOQSA-N	535.354	5.229	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	409048118	RQBLXFOJAPAZFT-LICLKQGHSA-N	578.238	6.260	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccc(F)cc1	409052679	VKDDAHBLZJTWSC-XODNFHPESA-N	519.798	6.292	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	409052707	HWQHTROULTXUNO-MZJWZYIUSA-N	536.506	5.365	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccccc1Cl	409094476	FNWAIMMSMBIDOR-XMMPIXPASA-N	555.812	6.027	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409126548	CGSSTFBAZHFBNO-HXUWFJFHSA-N	599.106	6.912	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1	409128598	SHRAUPALQTYFAC-RDRPBHBLSA-N	522.026	5.238	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4Cl)c3C)cc2)cc1	409136691	UHIMUDCTWRTENH-UXHLAJHPSA-N	535.069	5.645	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	409158321	YCSGHOLFBPEZDT-FJEPWZHXSA-N	532.855	6.793	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409176702	VNNJXIPIOPZGKM-SIBOWDGYSA-N	670.310	5.802	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)cc2c1	409191039	ZAIQDMSAPUJSGI-MNBJERMJSA-N	554.628	7.062	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409260722	VHZOANABZQMYSU-UDWIEESQSA-N	521.976	6.058	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Br)c1C	409262758	JVVPGJUJMWGQOH-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409265618	NAXSJRBUWOUIDP-QJOVZPHJSA-N	616.114	6.806	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1C	409267063	SAHYAXPACRMENB-SRZZPIQSSA-N	597.307	6.069	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(N)=O)c(Br)c4)cc3)cs2)cc1	409268148	QPGFYVQELLPETF-DBFSUHOCSA-N	564.465	5.253	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)c1	409268639	WYEFPOXPJJVDRQ-VCHYOVAHSA-N	601.270	6.531	50	40	KKGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C)=C2C#N)cc1	409310730	BNOOOZVEGGZKHZ-QGZVFWFLSA-N	502.459	5.190	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1OC	409312521	LNUMIKJSEAVOBB-WGARJPEWSA-N	573.356	5.619	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409371501	GOEBTMHXWHZBIO-NVMNQCDNSA-N	629.119	8.402	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	409382668	NAXCZFOVYARCFG-MOSHPQCFSA-N	534.410	5.638	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccccc4C#N)c(Br)c3)[nH]c2c1	409391544	JOUZUGHXFFSKBL-LSCVHKIXSA-N	519.786	6.502	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1C#N)c1cccc(F)c1	409393597	RDCMYRZJEUQGJC-UWVJOHFNSA-N	606.176	6.550	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409396937	DDVSFHVIBOWOSB-UHFFFAOYSA-N	576.867	8.087	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397664	MLNWRZBLRPPEHC-UHFFFAOYSA-N	634.947	8.794	50	40	KKGB	
C#CCOc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1[N+](=O)[O-]	409402614	KFEQKCLBSYCFNS-UHBFCERESA-N	546.967	5.604	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)OC	409402667	KLWIAHDIRXCIMY-UHIZKJEFSA-N	703.384	6.506	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCC(=O)Nc3ccc(Cl)cc3)o2)cc1	409409427	OXZKHXRPZAYRKZ-ADJDCTSUSA-N	710.412	8.117	50	40	KKGB	
COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC	1819099	PXKOGWZQBUWFER-HMMYKYKNSA-N	546.048	7.005	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1	1888963	JDUHCUFRBGUNBH-GOHCDNDPSA-N	540.447	5.918	50	40	KKGB	
CC1(C)[C@@H](C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)[C@@H]1C=C(Cl)Cl	2098503	YYFAVFIXUFRSAA-ZLLNKMTLSA-N	520.671	7.267	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)c1ccc(Cl)c(Cl)c1	2100788	WRMQGIFWXQXGOL-IPPBACCNSA-N	528.233	7.252	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1ccccc1	2740831	KTPBXTMTHJXVMQ-RQQFFKHGSA-N	506.635	5.664	50	40	KKGB	
CCCCCCCCCCCCC(=O)N/N=C/c1cc(OC)cc(/C=N/NC(=O)CCCCCCCCCCCC)c1O	8399416	TYOASVQMBCLEOW-AQLKTEAHSA-N	600.889	8.923	50	40	KKGB	
CCOc1cc([C@@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)cc(Br)c1O	9693501	NVHIQVVNNOXRFT-KRWDZBQOSA-N	500.418	5.081	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1	13165973	JGXSEUNHMVBNCZ-QHCPKHFHSA-N	512.462	6.357	50	40	KKGB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)c1	16804875	ODUQNTPYQFHDLE-WACOOGRWSA-N	504.634	6.811	50	40	KKGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1	20189295	NYRUHUPBIVJKGD-JOCHJYFZSA-N	502.423	5.624	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	20198003	MKLAKZGXSIFAJZ-LQKURTRISA-N	511.962	5.779	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1	59652678	BTIBYUNEMWCKSD-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OC(=O)c5cccnc5)CC[C@@]43C)[C@@H]1CC/C2=N\NC(=O)c1cccnc1	70672901	DKNFYEFBCLXZNI-NMWWDCOASA-N	512.654	5.751	50	40	KKGB	biogenic
COc1ccc(OC)c(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c3)c3ccccc3n2)c1	97965735	YWDRLTSZRNWEDS-YQOHXEDVSA-N	636.524	6.844	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F	98000217	DSVYFLQSHXBHHU-XMMPIXPASA-N	562.013	6.464	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3)=C(C)N2)sc2c1CCCC2	98043577	MEKWHLMRIJOFDC-AREMUKBSSA-N	602.738	6.103	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccco1	98048582	QKAPKNYPQFLYQG-SANMLTNESA-N	580.632	6.876	50	40	KKGB	
N#CC1=C(N)OC2=C([C@@H]1c1cccc(Br)c1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12	100032439	LQTFTWONKJXSCO-JOCHJYFZSA-N	538.398	5.115	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	100065142	GIHBNDDTJDELBR-WKULSOCRSA-N	588.833	5.857	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100336451	WWSSFJDQCSNYCV-PXNMLYILSA-N	566.666	7.543	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1Cl)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100846882	YWHIKYMVAUFSQK-AEPTXUNZSA-N	538.854	6.167	50	40	KKGB	
N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1	100879037	DLYDCRYIVMJEGL-ACRUOGEOSA-N	575.271	6.098	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2OCC)=C(C#N)[C@@H]1c1ccco1	101305383	FCNOZMIYFPOLER-RUZDIDTESA-N	529.618	5.447	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)cc1	101464037	JLYYHAXYIRGYLC-XXVOEFFYSA-N	609.358	7.087	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	102810234	MKNOPVHTHDQDOI-MHZLTWQESA-N	547.055	5.863	50	40	KKGB	
O=C(NN=C1CCCCCCC1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1	102931677	CNHXHRPUVDQTHX-UHFFFAOYSA-N	566.752	5.241	50	40	KKGB	
C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104700079	MJZJJICVGFARRE-MOQPFRFHSA-N	536.528	7.843	50	40	KKGB	
CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341208	XZJFEGGIXATCDV-YFKPBYRVSA-N	666.100	8.625	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342051	ROKXDQRFGNORJL-REOHCLBHSA-N	792.030	9.658	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCC(=O)N/N=C/c1c(O)ccc2ccccc12	150606062	VPSYEYCQAPJRMG-HDQUPXCUSA-N	663.562	7.053	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(C(=O)O)cc1	164324390	JNGWLYYVSAEZFA-QRVIBDJDSA-N	635.458	5.714	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)ccc1OCc1ccc(Cl)cc1Cl	164474768	LLINBDAVKGALFB-DPWJMMOYSA-N	636.330	5.984	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)cc1	216066291	QGSJWEAFEGAIRE-MUFRIFMGSA-N	592.861	6.475	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCCC)c(I)c2)cc1	216068338	IKLAMFAKIZWQHN-YDZHTSKRSA-N	592.215	5.237	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408531593	OPIQPWIZWVGKLI-PNQUVVCRSA-N	585.218	6.372	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539270	VADDTJFYFGDSLE-NTFVMDSBSA-N	597.111	8.068	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539487	WPELLAXASHWFQY-VEILYXNESA-N	548.639	7.106	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(I)cc1	408570432	VABTVFDMNMGZPM-RWPZCVJISA-N	620.534	5.887	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1cccc2ccccc12	408580344	OQNKUEVRQISPHK-RGVLZGJSSA-N	539.256	8.561	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408613264	ZYENEFIIKPXUNM-KRWDZBQOSA-N	544.435	5.476	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408649549	LFCIPTNNLZFXQB-UDZALUMHSA-N	731.781	6.059	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2I)c1	408741139	GWOMCNRHUHTOHB-ODLFYWEKSA-N	620.228	6.329	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(I)c2)c1	408743522	ATMLWBWIBLWUQY-ODLFYWEKSA-N	603.254	6.577	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Br)c1	408753860	KSWGTKDNFGBEHG-PXNMLYILSA-N	581.091	7.643	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1	408765609	MNWJLIHLQNJQDY-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(Cl)cc1Cl	408774770	XIIUMKIRHCYPCY-APSNUPSMSA-N	512.231	6.165	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1	408776468	OKBXFEZOVPURJO-WQRHYEAKSA-N	607.275	7.294	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)c(OC)c1	408776725	QTKICKWJZXHQSD-UZWMFBFFSA-N	553.640	5.356	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1C#N	408793194	DGYMGWHWJKSALX-WSDLNYQXSA-N	516.395	6.153	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408795407	VHKXPPYOPZXPGM-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408800383	ORENWGIHRCNURR-LZYBPNLTSA-N	536.640	7.534	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408807884	IFOOEINLNRNQTO-RGVLZGJSSA-N	554.384	5.747	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)NCc3ccc(OC)cc3)c2-c2ccccc2)cc1	408819352	RMKNZUPMGJJIRS-DFKUXCBWSA-N	581.672	7.220	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408826018	SKBFQULXCXQXQF-REZTVBANSA-N	596.294	7.841	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc(Br)c1O	408830673	OBKMNBPODMFBJD-UXHLAJHPSA-N	536.470	5.382	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408832556	XSPLFCBEQZLMFX-ZMBVXGBTSA-N	568.682	7.160	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408838783	IIZSWDMBUNJQRP-IURWMYGYSA-N	786.817	7.122	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408861923	FFDCQVFXMYRJIM-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)c(OC)c1	408865450	ASWAOFWRFYXZFX-DHRITJCHSA-N	587.470	6.430	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1Cc1cc(C)cc(C)c1	408874415	BFRQHAUTCQTOAX-FSJBWODESA-N	503.440	6.828	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1Cc1ccccc1Br	408875890	MBOZCYJXRWRXKQ-RGVLZGJSSA-N	509.831	6.864	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408879068	FCXOKUKYJIPXTM-GIJQJNRQSA-N	571.225	6.553	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2OC)cc1	408879430	DKFNEGNYRUNOPQ-CXUHLZMHSA-N	586.782	5.793	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408882252	NEJFPQAIUDNCDA-ALQBTCKLSA-N	651.141	5.029	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408883414	PRHUFGHZAQOZPZ-KEBDBYFISA-N	620.327	6.974	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408883654	RTOYOAPMNGZWPE-VCHYOVAHSA-N	546.248	7.198	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OCc1ccccc1	408884355	YRUZXXSKVZFZMC-MFKUBSTISA-N	500.336	5.033	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Br)ccc3ccccc23)c(C)c1	408896224	QRCQFZZILVHAIR-XQNSMLJCSA-N	511.419	7.344	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OCc1ccccc1	408897065	QGSXWIBWEJZMOL-JEPNHJGPSA-N	565.154	7.701	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(O)(c1ccccc1)c1ccccc1	408914222	XKJDHAOLADWVQX-VTNSRFBWSA-N	584.297	6.721	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)c(OC)c1	408925488	UCFXUMPAHTYAKD-OQMZEJBMSA-N	730.012	5.809	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408944868	VWICSJLGPRUNLF-FMFFXOCNSA-N	571.699	5.232	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc2ccccc2c1	408949397	HZMXBEBNHXRJGK-YUMHPJSZSA-N	641.509	7.169	50	40	KKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c1C	408965747	IGWPEVHECPBVQB-ZMFRSBBQSA-N	533.264	5.711	50	40	KKGB	
CC[C@@H](C)c1ccc(OCCOc2c(Br)cc(/C=N/NC(=O)c3ccccc3)cc2OC)cc1	408972123	SJHYJONNVYZEHX-YPKLGXIKSA-N	525.443	6.193	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408978101	HACHIKGABCHLTK-LMUZBFEMSA-N	590.507	6.983	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	408986565	NBPGZTJTDDDIIH-NHFJDJAPSA-N	514.028	8.319	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1	409000765	XTVAQBBQCLZXOI-RCCHARBYSA-N	506.400	5.025	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCc1cccc2ccccc12	409017783	PKHSBQMZFJFDHV-FZKWRIDDSA-N	539.031	7.710	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2OC)cc1	409039253	WSXPQMBQVFCHMY-ZSNJKBEMSA-N	685.518	7.035	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1	409039332	CRCLEOFXKCOIKS-CXUHLZMHSA-N	644.263	6.852	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12	409049647	ZJSJRVBFBHZZKP-YWFOEXFCSA-N	591.023	5.144	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1	409070650	OCVQMCHYFRMVJB-SFQUDFHCSA-N	531.373	5.093	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Cl)cc1Cl	409132417	OLQIUHCBKMNXSL-HSZRJFAPSA-N	562.247	6.657	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)cc2c1	409186825	IIJZHCQNIMTFNX-OHUYPAJKSA-N	525.580	6.721	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	409203515	WUQKCGPJGJVVEW-WKULSOCRSA-N	539.882	7.077	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12	409206344	VALTZVFOJOBKCA-AFUMVMLFSA-N	506.558	5.770	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	409212374	QRNPTOAWQOCNLU-BRJLIKDPSA-N	534.819	5.832	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)cccc2[N+](=O)[O-])cc1OCC	409223029	GALMCDPUEOTZTC-GXBUFBABSA-N	610.623	5.936	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccccc1	409226313	MVKXMOAYPAKKKX-HAHDFKILSA-N	552.412	5.535	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)c1	409254906	JSFGLLWWOHHSLB-GIJQJNRQSA-N	617.725	7.045	50	40	KKGB	
Cc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	409271334	UYMQSTPTGOGSSC-LUOAPIJWSA-N	571.096	7.170	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1OC	409309639	KHQNSUPCIGKVAS-PPDIBHTLSA-N	627.127	6.334	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1OCC	409310819	WTISMPFLGMSOLO-UHBFCERESA-N	586.870	5.847	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1OC	409315290	UYQJRQWQSORYHF-NUJZUDFISA-N	505.373	6.273	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1OCC	409317361	PGIBIRKNYLFTAO-NTFVMDSBSA-N	593.883	5.598	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1OCC	409317417	PTCHXXJGTSCMFZ-MWLSYYOVSA-N	527.390	5.895	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC	409320185	CFICTMVGWKBJPI-BVMLUPFRSA-N	563.916	6.787	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1OCC	409322910	LTCIGANNYKUDCN-QQXSKIMKSA-N	508.487	5.247	50	40	KKGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)=C2C#N)cc1	409322978	YWYRWGZJUBFTRR-MRXNPFEDSA-N	554.388	5.577	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1OCC	409325837	BTXMXXCYEXGCTL-BVMLUPFRSA-N	610.383	7.120	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc(F)c4)c(OCC)c3)cc2c1	409336556	PGXBYIFLDPSPGQ-MNDYBZJGSA-N	555.400	6.475	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)cc1	409362518	HEIIHSPDPJBEBH-PDGQHHTCSA-N	508.347	5.460	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409364962	RRHYUAQJCPWSHW-UDWIEESQSA-N	507.949	5.119	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1C(F)(F)F	409368969	VOJNIGWMGNBNFT-FTCYSYDXSA-N	623.278	6.116	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	409373663	SCEORXHUOJYMLN-AMVVHIIESA-N	558.259	7.261	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395228	LFVQAXCMZZYJCB-UHFFFAOYSA-N	696.739	7.905	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395324	MHARURHBWYZEAI-UHFFFAOYSA-N	583.398	6.489	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccco1	409396094	WJQIRBFTHXBMJU-UHFFFAOYSA-N	710.593	8.896	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409396101	WMBDDPQODSOSEZ-UHFFFAOYSA-N	611.452	7.106	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)cc1	409396563	ZCEBHAPCPWGWJE-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)cccc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409397167	HAZVDDKMJGJCKC-UHFFFAOYSA-N	607.619	5.769	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397527	KWWLEKUJKOYMNZ-UHFFFAOYSA-N	527.964	6.463	50	40	KKGB	
CC[C@H](C)Oc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	409400414	CWHSGWDQQAWLHK-NRFANRHFSA-N	550.055	6.869	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1C	409400497	DLEGNUQQUOUMGG-FRKGHFGRSA-N	720.020	7.780	50	40	KKGB	
CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C	1569992575	RUSKMTKSRJEHQC-BRCGMORVSA-N	614.547	9.342	50	40	KKGB	
C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1	2739819	YMCQJCXQVWPKFS-AMBXXVILSA-N	585.531	6.426	50	40	KKGB	
COc1ccc(C(C)(C)C)cc1NC(=O)CS/C(Nc1ccccc1C)=C(\C#N)c1nc2ccccc2s1	3224588	ZNOUXYDPJLSDCE-SGWCAAJKSA-N	542.730	7.587	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C3/C(=O)N(CC(C)C)c4ccccc43)c3ccccc3n2)cc(OC)c1OC	6171075	AHPBWRLYKDKLNN-PJJLUWSFSA-N	538.604	5.064	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc(Br)c1)N2	6445837	AZOXWSMOEZJDSJ-RNBKDOAQSA-N	559.869	7.094	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	8429882	NFGMGWBIXJNURP-HHHXNRCGSA-N	530.600	5.980	50	40	KKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(NC(=O)c4ccco4)cc3)c3ccccc3n2)cc1	8454661	LWBHGMLGJQHUQY-ITJLDIIPSA-N	530.628	7.415	50	40	KKGB	
CCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCCc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1	9432061	SMTDFPJMAXQKNO-DGHLUIFDSA-N	511.647	5.043	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)cc2)cc1	28214772	MKORKGLUIBWGHS-BIZUNTBRSA-N	523.658	6.210	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Sc3ccccc3)o2)c(C(=O)OCC)c1C	35103998	AWDKFGFNDGHPSK-GHRIWEEISA-N	509.605	5.873	50	40	KKGB	
N#C/C(=C\c1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NCc1cccs1	59087062	WEJDAIZYDKKEFE-QGOAFFKASA-N	506.425	5.768	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	59222239	IAPBEQBLLWOTJE-CCVNUDIWSA-N	525.945	5.012	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	59857625	IVWFRQASJWSMOV-BIZUNTBRSA-N	542.060	6.377	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	59883281	JJCVLAYZIDHYKE-HIWRWHBISA-N	618.461	5.906	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1	97962922	IXRJDIPMMLURCD-NLRVBDNBSA-N	545.079	7.708	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1	98001523	SANYZIUXFHOQGW-LUOAPIJWSA-N	645.529	6.376	50	40	KKGB	
O=C(COc1cccc(C(F)(F)F)c1)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl	98044627	ACLUERXDRXYGFB-VPUKRXIYSA-N	542.297	6.029	50	40	KKGB	
CCCCc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	98050526	DPGNUERMBGTKOH-GDLZYMKVSA-N	541.673	6.582	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)c(Cl)c1	100117390	LPVBHRSIIYONPS-VYVUJPJFSA-N	531.749	6.162	50	40	KKGB	
Cc1ccc(OCCOCCOc2ccccc2/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)cc1	100882872	AASQRVGXVKMPSB-LYBHJNIJSA-N	526.618	5.637	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100955767	KHMNWZMMVDTMEL-NVJOKUIPSA-N	548.220	6.854	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1	101178598	VSESMOASXMDVGC-NLTRVXJZSA-N	611.359	5.997	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1	103894810	UMWCXHKQBGQNHX-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(C)c(Cl)c2)cc1	103898465	WYEVFEFJTMDRKH-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1c(Cl)cccc1Cl	104953618	TWCVGXHEKQOSFC-MHWRWJLKSA-N	536.242	7.824	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	105511306	VHKRXRINTZPUDZ-HWLOXFRGSA-N	579.660	7.891	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	111476265	SCGDHLYIWOVJKL-RUMWWMSVSA-N	590.573	7.078	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1	112254673	KIXFSFJMGJNEMG-RRCLOXMRSA-N	620.503	5.353	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1	150372517	AISLAZVCTOMQNN-SJARJILFSA-N	726.898	10.176	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1	216042569	BOOXTAMSPMJAFN-MUXKCCDJSA-N	515.835	6.000	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1Cl	408544782	XIUSCVHZAWKYBM-GRSHGNNSSA-N	545.760	6.295	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc3ccccc23)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551050	JECQBEQWYWJYFQ-AQLQTECXSA-N	556.833	6.590	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccccc1F	408579166	CYHOCLSCSLRZHM-VCHYOVAHSA-N	564.192	6.845	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(Br)cc1	408579385	GQFPHKFCTZTOBI-RGVLZGJSSA-N	573.281	7.271	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(C)cc1	408581532	XQOSLZDKLCLDOR-RGVLZGJSSA-N	513.229	7.172	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)cc1	408611191	QDSHOALCQHKSQT-XODNFHPESA-N	549.252	5.986	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)cc1	408639382	FRHFIFUOQYRZEB-VPBXCIAMSA-N	787.310	6.232	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408643627	PWLJCNMJXAEJRX-YCAMKHIRSA-N	782.225	6.283	50	40	KKGB	
O=C(COC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)nc2ccccc12)NNC(=O)c1ccc(Br)cc1	408648081	XJTRJGBZRCVKSO-UHFFFAOYSA-N	610.464	5.861	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408677580	SBQCENUHLWZXQS-STBIYBPSSA-N	567.440	5.699	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408678507	ZSZUFFHIMKHIEL-LQKURTRISA-N	553.413	5.309	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1ccc(Br)cc1	408684594	PFDLOBDPYXIGLN-XNMGPUDCSA-N	607.298	7.246	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408710873	SGHDZCMEENWYRG-UVHMKAGCSA-N	654.255	5.712	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1Cl)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408740396	BOZTYLFZHSHFFE-ALQBTCKLSA-N	544.869	8.535	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c1	408744594	GDXVRPJZAXFPQB-ODLFYWEKSA-N	522.355	5.881	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(I)c2)c1	408746133	RERILEPHVIVHMH-ODLFYWEKSA-N	620.228	6.329	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)ccc1I	408746527	DZYWTLHQYHBFKJ-KVSWJAHQSA-N	716.111	5.881	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)ccc1I	408747901	VNFMCLXPJIUQSG-IPBVOBEMSA-N	619.670	6.612	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)ccc1I	408748188	ZTCVPWWOTPMFAW-ORBVJSQLSA-N	712.991	7.475	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408797206	BUZDRVMMXPBMFV-OVCLIPMQSA-N	526.634	8.078	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)cc1	408798549	VVDFLOXJDVIIGC-WSDLNYQXSA-N	560.404	5.631	50	40	KKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br	408799372	YVBFSLGEFYENGD-KGENOOAVSA-N	521.411	6.371	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)c(C)c1	408799380	YYWIHMIZQVBQGC-UDWIEESQSA-N	542.804	6.686	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(I)c1OCc1ccc(Br)cc1	408800009	MRIBPCVUOCELIL-PYEYENBVSA-N	623.329	6.633	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408803408	ONPORZBKRSXBIC-MFKUBSTISA-N	573.476	8.096	50	40	KKGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1	408821717	AJMSSCINLHEWGM-NLRVBDNBSA-N	509.005	7.352	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(=O)(=O)c2ccc(C)cc2)c1	408826488	GWRHRCFCTZQYFN-PPFNPFNJSA-N	600.697	5.000	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408827488	JVBPXVBNNBFAKU-QVUMDZJSSA-N	602.765	7.628	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OCc2cccc(C)c2)c1	408830328	PCRZVTNGOUZDGI-YZSQISJMSA-N	539.031	7.361	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2cc(Cl)cc(Cl)c2)cc1	408831846	VQHVFYVTWQQBLQ-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC	408833004	SPRHYZMRJYQBBS-UDWIEESQSA-N	604.328	8.068	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OCc3c(C)ccc4ccccc34)cc2)cc1	408835469	YWFVFPPMCBKFGC-MWAVMZGNSA-N	538.647	8.160	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408840184	CHYYEKKZYHCTDH-XAZZYMPDSA-N	544.986	6.831	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408860832	GBUIRQPCGBTVGY-VPUKRXIYSA-N	647.216	7.490	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408861323	BZCLHMVAHFVNAH-XJECJHNESA-N	721.457	7.006	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccc(C)cc2)cc1	408862010	CIUFMCJXQFUCPX-OGLMXYFKSA-N	564.645	5.231	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408862687	IKWRIMMTOOKVNA-VPUKRXIYSA-N	602.765	7.380	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408878652	COJQVRFXKBHVRA-YBFXNURJSA-N	560.275	7.588	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	408880994	LAWLCLFCSDZZTQ-NSKAYECMSA-N	547.376	5.156	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Br)cc1	408926658	XHSSHKQLWVCHJH-GZTJUZNOSA-N	561.841	5.733	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc(C)c2)c(I)c1	408940388	CFPNXQUSIRUKPF-LJAQVGFWSA-N	698.583	5.064	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(F)(F)F	408969965	XVSBPBVXRNHOTJ-VFLNYLIXSA-N	544.382	5.353	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408983874	NWBFRIUDSDWLAK-JAIQZWGSSA-N	590.732	8.571	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1	408991723	OZJFPVGYUPNMBI-PSXBWXLBSA-N	620.112	6.464	50	40	KKGB	
O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1)OCc1ccccc1	408998720	BWSWDALUFSYIRX-NDEPHWFRSA-N	523.589	5.284	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2cccc(C)c2C)cc1	409025256	OSLYGIXCYBJDMF-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	409027489	DSPJPTANCBVGEZ-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OC(C)C	409037261	MIYXGDAAWQIVIA-MUFRIFMGSA-N	565.411	6.066	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1O	409044191	UAOCAQCSXJOITG-WYMPLXKRSA-N	504.178	5.260	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409067661	PFFNULZWSXLVNA-XNTDXEJSSA-N	563.813	5.130	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409083053	ULEHAKRKSNEEPB-OQLLNIDSSA-N	566.319	7.657	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409083330	SKRBNJBTMNPJDG-OQLLNIDSSA-N	610.770	7.766	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409084414	BOVRWYVBASWLJL-VGOFMYFVSA-N	562.844	6.522	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409088052	VXAVTTKCYIOVIU-XNTDXEJSSA-N	517.847	6.614	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409088793	YGNYUISVJPTLAF-OQLLNIDSSA-N	634.770	6.498	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409160852	XMLKJCQCQYHWRQ-ZHSUKTGHSA-N	650.357	5.672	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409212188	NTGOAZNFIBYQGI-BRJLIKDPSA-N	534.819	5.832	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409234668	OUPYDDAYILOCOH-NVJOKUIPSA-N	540.216	6.175	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1Cl	409235808	BUBYRLTYXGWUPX-MFOYZWKCSA-N	565.773	7.255	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCc1ccc(Br)cc1	409255735	MVCRMQBRNGVMMG-KBVAKVRCSA-N	643.319	6.877	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409257696	RVXOQENXRBZCQI-NINVTMNCSA-N	594.481	5.798	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)cc1	409260984	ZJUSUNNLUYXYKT-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)c(C)c1	409270313	PDFJASKUAABPGO-LPYMAVHISA-N	532.438	6.246	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OCC	409325561	ZBZSFDQGXVSVIM-LJUMEUDFSA-N	636.914	6.874	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1OC	409331110	COQJCSVDBORHEX-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
C=C(/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N	409332080	GLZUACVQAKFYTQ-ZVHZXABRSA-N	618.395	10.013	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccc(Br)cc1	409371411	IMHZIQOBEYUJDN-WQRHYEAKSA-N	531.219	7.393	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br	409379216	VOPVRQNCGOVUEB-QGOAFFKASA-N	506.356	5.021	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccccc1	409394864	GVVGJKJFFYYDDP-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394922	HPGBXGDDVYEBIL-UHFFFAOYSA-N	651.395	7.508	50	40	KKGB	
Cc1ccc(NC(=O)Cn2cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c3ccccc32)cc1	409402669	KLYXLKNWAIKIJD-CLHYIUPASA-N	599.691	6.932	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl	409404935	RKRJOBZQRMPBLX-RODHXAHZSA-N	663.514	7.833	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(O[C@H](C)C(=O)O)c(Cl)c3)o2)cc1	409405724	UYDNSUDMECJIFY-TXLLAZTHSA-N	570.429	6.189	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1	2199505	KBJZDBJWDIFTTF-YMGIJWJESA-N	518.436	5.823	50	40	KKGB	
COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1	2323820	ONKDMMIOMFHQCX-AWRNBQGKSA-N	548.466	5.613	50	40	KKGB	
Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccccc2)C1=O	2331838	RAZDODOUPLDNHQ-BDPHVXEFSA-N	508.430	6.367	50	40	KKGB	
O=C(N/N=C/c1c(Br)cc(Br)c(O)c1Br)c1ccccc1Br	3150973	UENYFJRTBLUKFW-KPSZGOFPSA-N	555.846	5.206	50	40	KKGB	
COc1cccc(N/C(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)=C(/C#N)c2nc3ccccc3s2)c1	3255167	LNZWLDPUUIPRDR-HIXSDJFHSA-N	556.591	6.880	50	40	KKGB	
CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@H]1[C@H](Cl)[C@@]1(Cl)C(=O)N(c2ccc(Cl)cc2Cl)N=C1C(=O)OCC	4266367	YJACLDRDHRHGRQ-MIAKESKMSA-N	683.159	5.733	50	40	KKGB	
COc1ccc(C2=C(/C=N/NC(=O)CSc3nc4ccccc4s3)[C@H](c3ccccc3C)c3ccccc3O2)cc1OC	8400024	ZAEOXBGQRWWDBL-RGPUIQDNSA-N	607.757	7.452	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)cc2Cl)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12	8837800	POYZWDJCRCUSRH-GGAORHGYSA-N	504.377	5.056	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1cccc(Cl)c1	9202325	HPXPTNMAQCIFKQ-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@H]1c1ccco1	20136765	KINUXZHKDLNEGR-VWLOTQADSA-N	513.619	5.610	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)c2C)c1	28217207	AXVZSSCQNIYJQZ-PPOKSSTKSA-N	519.693	5.484	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)=C(C#N)[C@@H]1c1ccccc1Cl	33357722	LQLCHMBZNPWDID-MHZLTWQESA-N	662.233	7.225	50	40	KKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Cl)[C@H](Cl)c2ccccc2)cc1[C@H](Cl)[C@H](Cl)c1ccccc1	68563598	BCPUHZDSXYHLJT-CZYKHXBRSA-N	514.192	8.023	50	40	KKGB	
CCOc1ccccc1/C=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1	97958073	VULSYCGCYSAMGZ-MBTHVWNTSA-N	526.449	5.882	50	40	KKGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1	97966401	NMHWYQALMFIUGQ-HNSNBQBZSA-N	556.460	5.427	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OCc1cccc(C(F)(F)F)c1	97980670	OKLKVRPUBRLMQA-WOJGMQOQSA-N	537.563	6.946	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cccc3c2OCCO3)cc1)S(=O)(=O)c1ccccc1	100103055	SLTMEQRHZSHCPK-BIZUNTBRSA-N	576.074	5.579	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	100225362	OUYXCXPGWCMOSQ-QDTIIGTASA-N	552.303	6.331	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	100343422	UTENJQPDECWSDT-KCSSXMTESA-N	603.701	5.282	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	101666530	YLQBYWYHADLHBC-STBIYBPSSA-N	551.441	5.299	50	40	KKGB	
CCN(CC)c1ccc(/C=C2\CCC(/C=C(\C#N)C(=O)Nc3ccc(SC(F)F)cc3)=C2N2CCOCC2)cc1	102941973	LPUVZZZJMYEFTJ-DJCYKTPPSA-N	564.702	6.700	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1OC	103902169	BFGAGMLVOYULCY-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
CCCCCCCC[C@@H](Br)[C@@H](Br)CCCCCCCC(=O)N(CCCC)CCCC	104109954	XAYLSPSUENQNBV-RPBOFIJWSA-N	553.508	9.424	50	40	KKGB	
C/C(N)=C(\C#N)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C(F)(F)F)CCCCC3	104837595	QPVVYENEVDJSIY-SQFISAMPSA-N	518.586	5.152	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)c(C#N)c1C	107569606	BMUMULCFQJIZLO-BUVRLJJBSA-N	520.610	6.556	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1	137021858	MTMRQBUXZMXYPT-WOJGMQOQSA-N	527.802	6.244	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342213	LMJIUSRWSARGTG-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	150438797	JONPEAFQUWVOEH-UZEPBSNMSA-N	635.996	7.215	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1I	150632263	NAAUAPGBVZFYRI-YVLHZVERSA-N	638.097	6.941	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccccc1	207156105	QUFOBIIFQMUWHJ-WBRURWICSA-N	540.255	6.575	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Br)cc1	408550034	CTQZHRAGJJVFLS-DEDYPNTBSA-N	562.489	6.784	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408567919	GVSIEXILOTVSHE-ATZGPIRCSA-N	617.620	7.707	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	408568595	VJJQYWDHVPPAJP-FJEPWZHXSA-N	592.759	7.434	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1	408598965	MHWLVCJUVHBXMS-LGJNPRDNSA-N	577.229	5.861	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1	408609890	LYCLXJBNYNJHPU-XAZZYMPDSA-N	516.400	5.601	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408726891	NOKMOJDSKCYONF-NJZRLIGZSA-N	575.712	5.945	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(Cl)c1	408741547	QNYBHDSLWUYYQF-MUFRIFMGSA-N	502.958	5.999	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1cccc2ccccc12	408747824	UHKKAABMJWVLPY-OYKKKHCWSA-N	527.418	6.413	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408757215	WFGFDKCZUADEDP-OSLARZAXSA-N	651.421	5.942	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)cc1	408793072	DCQLXTYUSQEVRO-CIAFOILYSA-N	692.291	6.506	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408793263	DQHRPIKCJTYLCR-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408794537	IWGHRZBCMUOSGP-CIAFOILYSA-N	535.394	5.843	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br	408811429	NRVAZQNLPIOUQU-TURZUDJPSA-N	603.516	8.614	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408815979	WEGNNKWGVFHABH-FTCYSYDXSA-N	641.143	8.006	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408825628	DJIKMZCYUWZEJY-UQQQWYQISA-N	668.599	6.569	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)COc3ccccc3)o2)cc1	408829808	NHHFOZQRKDPQBV-OCSSWDANSA-N	552.052	5.162	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408829916	NJJACWQQHRAQMC-WPWMEQJKSA-N	712.438	9.386	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2Br)c1	408832861	SBDPYCMSTPNFLJ-ZVHZXABRSA-N	622.346	8.768	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408843432	MQMPKNDMZDSCFB-RVDKCFQWSA-N	806.342	7.085	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2cccc(Br)c2)cc1	408855300	CAJHVEPHBCNCFH-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408861334	CEYWYQMJTQMUCN-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
Cc1c(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	408861374	RDELWQZEEAHSDE-DPNNOFEESA-N	638.533	5.397	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	408862069	HZZLVPXCGUBECV-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
Cc1oc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1Br	408863678	UFQBIBLGULRNSA-BHGWPJFGSA-N	545.242	5.003	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl	408868462	OLBNEFBGYFPNIJ-XKJRVUDJSA-N	561.413	5.336	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1Cc1ccccc1F	408878874	DBESNBPAWLHWFJ-LICLKQGHSA-N	530.312	5.714	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408880006	IDWZIMAXCQMELN-VXLYETTFSA-N	597.252	7.942	50	40	KKGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCc1ccc(Cl)cc1	408885777	ANZSFADAFJRROY-ZCTHSVRISA-N	500.982	5.314	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OC(=O)c1ccc(OC)cc1	408894981	JZCAYCAZOHXYDK-OCSSWDANSA-N	547.405	5.993	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1OCc1cccc2ccccc12	408897130	VYLCQITZLIUCIS-UDWIEESQSA-N	548.382	7.188	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OCc1ccc(Br)cc1	408897139	WAUPPYADFQAGJH-LGJNPRDNSA-N	526.412	5.420	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408909008	ZZARBAROSYXYOA-QNKGDIEWSA-N	571.699	5.627	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2Br)c1	408926205	WBXRMLHKQAESAX-VCHYOVAHSA-N	570.237	6.343	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408953799	YDIVWEKJYWIJRX-MHZLTWQESA-N	716.998	5.475	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1cccc(C(F)(F)F)c1	408961167	BAXOWOIWFHAWKK-KVSWJAHQSA-N	542.270	5.792	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408968920	CUMAEQUTJJDOSR-ZWZBFNSNSA-N	635.386	6.436	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(C)C	408969409	NGXHSOWEWLKUIU-LPKRLNFASA-N	600.543	6.072	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1C#N	408970975	FJOZYCBQYHXKLL-MOUCIZBNSA-N	724.439	6.860	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(F)cc1	408980740	SUUHYEQFCUFTQF-WJAYPVQZSA-N	525.580	5.425	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2)cc1	408981142	UVSDNIYRHWNQTD-XIOXGIFKSA-N	562.091	5.787	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409003209	RLVRJSGMRFYRPL-KCTSWOMUSA-N	752.458	6.616	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409027595	MIPRBQYOCJNFPZ-AFUMVMLFSA-N	508.452	5.061	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c1C	409043606	RZWPEJPMBQNMON-VXLYETTFSA-N	585.252	6.861	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409044816	DKPXQEYCIFFVGV-LZYBPNLTSA-N	509.286	7.276	50	40	KKGB	
CCOC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Br)cc1	409047972	VKPMHAADFGEJDD-JEPNHJGPSA-N	608.492	7.184	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409071019	IAXMNODOVJEVCJ-XNTDXEJSSA-N	582.259	6.078	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409091209	RLSINCVBTCNPEG-RIYZIHGNSA-N	625.297	6.270	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	409129089	UINWKHVTJCPWJZ-NRFANRHFSA-N	546.190	5.853	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(I)c3)cc2c1	409186993	KPFYXIFXZRERNH-DBFSUHOCSA-N	698.149	7.304	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)NC1CCCC1	409189815	SZXTVWWNXANXIH-NDENLUEZSA-N	509.831	6.800	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409222247	BGQCWXHQTYBWKO-XDHOZWIPSA-N	568.855	6.373	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409222361	CLGLGAZJAIXQST-GZTJUZNOSA-N	587.801	5.516	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409224495	LYIXFKMHKJLWKU-UHFFFAOYSA-N	600.347	6.296	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccco2)cc1	409227691	ZUUJMUXWUWZZIG-IGXYKESVSA-N	558.934	5.476	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409232476	IISWNFQRSUOJOF-HAHDFKILSA-N	564.436	5.991	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1	409234599	LVAGGVFEGNQERV-VRKJEAOJSA-N	609.145	7.882	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409249931	JXNMKVLEWJATGR-QRVIBDJDSA-N	576.491	6.645	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409265964	VKPMDCJUYXLEDB-CXUHLZMHSA-N	591.643	6.855	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409268637	WXWIBPLOXGNIGZ-MUXKCCDJSA-N	589.284	5.700	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)ccc1OCc1ccccc1	409312124	CYQKMMFNEKZSCQ-KMUKQRDJSA-N	603.071	6.758	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1OC	409315119	IGXHLUZARIGTAL-MUXKCCDJSA-N	605.283	5.400	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(Br)cc1	409315185	IAIQYXICCGVNHZ-MUXKCCDJSA-N	547.833	5.861	50	40	KKGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OCC	409319222	CFBDEXNFXBQACG-MYYYXRDXSA-N	540.398	5.040	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)cc1OC	409326388	JZQBPABITCAKFC-MBTHVWNTSA-N	574.269	6.128	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	409366223	YZDZBWKILVNWMY-HQDYHJHZSA-N	595.656	6.483	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	409371857	AORDIQMCBRTUDY-AMVVHIIESA-N	558.259	7.261	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCC(=O)Nc1ccccc1	409373219	OUWFWWDNYDCQMT-KBVAKVRCSA-N	531.996	5.682	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1	409373471	TUIZNMMWKCOJNE-MXAYSNPKSA-N	594.203	5.234	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3OC)c(OC)c2)cc1	409380511	FWVGTLBKJHOIIZ-PDGQHHTCSA-N	566.408	5.038	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1cccc([N+](=O)[O-])c1	409386685	RGIFCQRVAMZAOI-DHRITJCHSA-N	506.496	5.069	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccccc1F	409392128	LHSWSPDAGJSXMB-GRSHGNNSSA-N	517.313	6.611	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)cc1	409394681	DOSCBJLIUICLRY-UHFFFAOYSA-N	633.873	7.384	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)cc1	409395705	QUWJXLHEQNRUBP-UHFFFAOYSA-N	652.932	8.396	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409397465	KDRKGXVBTFGFCL-UHFFFAOYSA-N	553.405	6.996	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409398314	SMGOOJUFLYLISF-UHFFFAOYSA-N	597.285	8.432	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(C)n1Cc1ccccc1	409410378	VYWAMKJROPAINF-APTWKGOFSA-N	520.633	6.497	50	40	KKGB	
O=C(OC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F	885164189	NODGCEFUGUUFMW-UHFFFAOYSA-N	806.093	7.123	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1	1529548371	DXUURLXQEAFAKK-RNMNIPMUSA-N	699.599	5.451	50	40	KKGB	
N#C/C(=C/Nc1cccc(Cl)c1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	1760966	UEDQTSHKMWZXKJ-XFXZXTDPSA-N	519.207	6.962	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	2212907	LTRRNWDYPJTRRA-OKCVXOCRSA-N	530.719	6.000	50	40	KKGB	
N#CC(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)=C1Nc2ccccc2N1	3288570	KWVFIVZTUZKZRM-CCEZHUSRSA-N	555.550	5.044	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)cc2)sc2c1CC[C@H](C)C2	6167148	RPYYLORNWIGCKF-MATHZJMASA-N	589.758	6.517	50	40	KKGB	
CC1CCC(=NNC(=O)c2ccc(O[C@H]3OCCO[C@@H]3Oc3ccc(C(=O)NN=C4CCC(C)CC4)cc3)cc2)CC1	6461781	JNZFCHIRCSBKHL-AFIADHFJSA-N	576.694	5.435	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(Br)cc3)Nc3c(Cl)cccc3[C@@H]2[C@@H]1Cl	8426165	OZTZHIRBISRRRP-YMNDLRCVSA-N	550.305	8.049	50	40	KKGB	
COc1ccc(/C=C/C(=N\NC(=O)c2ccccc2)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc2C)cc1OC	8653408	SIZCKXICDRTWFS-YSYZDXPVSA-N	543.605	5.968	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(I)cc1	9201766	QXMIBOUHRMOTLF-DHRITJCHSA-N	504.755	5.596	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cn1)C(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)s1	9761209	QJLMDCDWIHZNEJ-NRFANRHFSA-N	511.489	6.144	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	20764822	AJOITOPUCYRRNV-FDAWAROLSA-N	502.998	6.634	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(C)o2)c2cccc(C(F)(F)F)c2)cc1	59652469	XMTMBJURBXELES-KKMKTNMSSA-N	558.376	5.023	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	59856237	WBNFSOPQTVTAFI-XHLNEMQHSA-N	528.590	5.144	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1	97951805	MLFQXKVRSLTDED-HHHXNRCGSA-N	528.609	5.541	50	40	KKGB	
O=C(CCCNC(=O)c1ccc(Cl)cc1)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	97981050	LHEUXEGFRJULFF-ATZGPIRCSA-N	545.945	5.479	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12	98008050	KJBRTNRGJOJVJJ-UMSFTDKQSA-N	557.053	6.846	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(n1cccc1)=C(C#N)[C@@]21C(=O)Nc2ccccc21	98008063	PHOYDAMJDTVONR-GDLZYMKVSA-N	528.534	6.253	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2nc3ccccc3s2)N1	98048659	VWNAQNQIUAZPJJ-XMMPIXPASA-N	596.521	6.903	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Oc1ccc([N+](=O)[O-])cc1)[C@H]2c1ccc(F)cc1	100141884	SJFUZROURXWTMG-NDEPHWFRSA-N	515.541	5.956	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=N/NC(=O)Cc3nnc(NC(=O)c4ccccc4)s3)cc2OC)cc1	100173835	PKYPHGHPEPKGEK-PPFNPFNJSA-N	631.755	5.909	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1	100346174	OKEKKVSDPOIUOB-MNBJERMJSA-N	565.095	5.097	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl	100394975	FGLFDHZGWFMNKM-VFBCTUTHSA-N	581.132	5.270	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\SC=C(c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)N2c2ccccc2)cc1	100879030	QEKXZKQXHOCEMT-FAJYDZGRSA-N	555.015	7.742	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1sc2cc(Cl)cc(Cl)c2c1Cl	102619765	JFQXGOKVLZQNOG-PNQUVVCRSA-N	560.293	8.132	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	102810062	OQVDZFQXKOCUML-MUUNZHRXSA-N	575.090	6.064	50	40	KKGB	
Cl[C@H]1COc2cc(Br)c(Br)cc2OC[C@@H](Cl)S[C@@H](Cl)COc2cc(Br)c(Br)cc2OC[C@@H](Cl)S1	150341647	CODOBWGRZBMPCE-JVSBHGNQSA-N	845.906	9.692	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2I)c1	150416796	LJKRHVUEYARAPL-CAOOACKPSA-N	699.670	6.891	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	216066153	CLZJMEINUQJSRY-MUFRIFMGSA-N	545.861	6.633	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408538359	LNISOYOEWJMSIN-MFKUBSTISA-N	629.507	7.266	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1	408539884	ZTOUGBLSBWSXBA-ONUIUJJFSA-N	569.057	7.451	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccccc1C#N	408542596	KJCPWSZNMIAOPY-FBHDLOMBSA-N	593.377	5.384	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408544591	VDFIKEFJPJDNLC-ZDLGFXPLSA-N	572.330	5.219	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550890	IAFQUGCOMDICJJ-VXLYETTFSA-N	572.876	7.226	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1cccc(C)c1	408552880	LJTJZQAQPZCDPF-RGVLZGJSSA-N	562.489	6.703	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1	408724298	ABXVUQQRCMJJOT-MOSHPQCFSA-N	524.358	5.815	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408725626	LKNOLKQNZULEJQ-WQRHYEAKSA-N	508.328	5.491	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3C)n2)cc1OC	408728113	ZZRHRBTYWOMXDP-QNKGDIEWSA-N	516.601	6.296	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc2ccccc2c1	408743965	IUKFGHKZHMTKEE-OYKKKHCWSA-N	527.418	7.044	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1cccc2ccccc12	408748303	BNWJNYAMWJHJHU-WCMJOSRZSA-N	606.567	7.432	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccccc1Br	408751284	ADWRMYRFFJZOCJ-BRJLIKDPSA-N	535.305	6.003	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(I)c1OCc1ccccc1	408751957	ASPQLPJXXSVBEU-UNOMPAQXSA-N	650.254	6.419	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(I)c1OCc1cccc2ccccc12	408763789	KGJCJNWXIYZKIV-FYJGNVAPSA-N	639.287	7.340	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccc(Cl)cc1	408771363	HOJCHSRFCGPRCQ-JAIQZWGSSA-N	572.830	6.695	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccc(Br)cc1	408784007	RJOCEUDLZYLRBF-QDTIIGTASA-N	507.306	5.819	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1cccc(C)c1	408789341	OZBJGLWNLYGTEP-YBFXNURJSA-N	558.803	6.386	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	408793017	CTAQAAKCLSHZKP-VCHYOVAHSA-N	698.682	6.460	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	408808198	FLRQKQSYRCYFAN-RQZCQDPDSA-N	606.698	7.007	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408821913	AHWMDSQAZIWVQA-JJIBRWJFSA-N	573.874	7.806	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCc1ccc(Cl)cc1Cl	408825132	AIBWYIOFMHLRRG-REZTVBANSA-N	687.745	7.792	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCCc1ccccc1	408830678	ONSMGWAQAKCJFE-PLRJNAJWSA-N	560.075	5.590	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1	408836888	WQTRIFSQPNFUJH-VWJSQJICSA-N	620.942	6.712	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NNC(=O)c4ccc(Br)cc4)cc3)sc2c1	408838095	CBMSHUBUJDSYQO-UHFFFAOYSA-N	542.842	5.953	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408839083	MTFVBPCRYSPQEI-FDAWAROLSA-N	601.413	5.522	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408859982	WOYDVBSESUKNML-AEVGBRMKSA-N	623.367	9.409	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1	408860320	YTYXFGXDWXQVJD-XODNFHPESA-N	547.902	6.382	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccccc1Cl	408862572	HJMDDXKYKHBNHV-MWBNBJEGSA-N	685.040	7.037	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1	408863913	VKFXQKFAXUVECF-CHSHITCJSA-N	673.113	5.442	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	408879117	FNRSRFUOMOIVRU-WOJGMQOQSA-N	522.901	5.680	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2)cc1[N+](=O)[O-]	408882200	QKNBRNIEDFVKNM-RCCKNPSSSA-N	513.531	5.370	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	408884904	ZATSDQFQFVVXKJ-OPEKNORGSA-N	567.621	6.116	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1[N+](=O)[O-]	408890879	HUOLKNNPGFRYRF-LFIBNONCSA-N	532.361	5.523	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408898850	XYHJXBCJBPSGFA-CCVNUDIWSA-N	561.816	5.258	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1	408913349	SYQFTGYJCKLPAH-IAEWTUJKSA-N	517.626	5.007	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)cc1	408925338	RDMMURZZESTQGP-DEDYPNTBSA-N	525.388	6.303	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccc(F)cc1	408953197	LSHRLYRGXCDGHA-QKRNDYIXSA-N	674.726	5.261	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCCOc1cccc(OC)c1	408969563	QDBBEUZTCOUFHV-XSFVSMFZSA-N	537.410	5.860	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccc(Br)cc1	408993706	XDPSSYSSYZOKIM-KMVFSOCUSA-N	620.504	5.138	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	409004936	YLAQTOMOIFDEPG-WCMJOSRZSA-N	621.831	6.246	50	40	KKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1C	409014273	WVHSRHAHDIWQKA-LUOAPIJWSA-N	626.676	6.633	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1cccc2ccccc12	409018706	XUHZCBPAOVEDPB-ROPCREHHSA-N	748.209	8.457	50	40	KKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409032214	LQRNKVJZTUFEAK-RWPZCVJISA-N	507.015	6.378	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12	409040233	HOVJQVZHXUBXKC-KVAAJVFYSA-N	605.319	8.314	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)cc1	409041233	JGIVWKDOEVNBOI-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-]	409050202	SMFJWAPQFFBCDN-WGARJPEWSA-N	505.328	5.345	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1	409056484	MKONNLMDVKIBQU-QGOAFFKASA-N	506.356	5.021	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)cc2)cc1	409151331	BFKUPXKSFFDVQV-OCSSWDANSA-N	581.467	5.043	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)c(I)c3)cc2c1	409186998	KQZMHZQZFQDUJT-MUXKCCDJSA-N	558.347	5.918	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)NC3CCCC3)cc2I)cc1	409191272	FVXDJCGLPVNJCA-ZDLGFXPLSA-N	612.249	5.749	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1cccc2ccccc12	409199852	FGWPVGFCRCKXDY-XKZIYDEJSA-N	515.363	7.162	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409220279	WBSPFRQNZPPHQS-UHFFFAOYSA-N	552.543	5.229	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC	409226100	SSMUQNGKGJLGEO-UHFFFAOYSA-N	745.808	7.126	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(I)cc1	409229319	NDGIJNMAWBAFFH-HMAPJEAMSA-N	678.308	6.139	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)c1C	409264769	QAMHQHPQVVXBPW-ZDLGFXPLSA-N	528.823	6.827	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409268293	RYWSTBTZWOWWLT-FDVSRXAVSA-N	538.442	5.554	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)ccc1OCc1ccccc1	409268370	ZGIUQIMHHKYZEA-WBIBEUCMSA-N	727.983	7.102	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409269653	LERXGBGTBBVYEM-AEUUOICLSA-N	717.589	7.257	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409317988	SKNITCHLWFHTHP-VYYCAZPPSA-N	558.931	5.519	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409363661	LYEUUVIBDPZTID-UDWIEESQSA-N	521.976	6.058	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)ccc1OCc1cccc2ccccc12	409373546	UQTXIOQGJUFOIB-NTFVMDSBSA-N	518.367	5.782	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(I)c1OCc1ccc(Cl)cc1	409392304	OVKSSIRGCDHWLS-UVHMKAGCSA-N	580.806	5.400	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409394480	AXGQBHKZXWZMIK-UHFFFAOYSA-N	635.287	7.482	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)cc1	409395803	RWZZRDHMMREGKQ-UHFFFAOYSA-N	580.482	7.506	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396566	WYXKIXZLGTZVDE-UHFFFAOYSA-N	636.919	8.186	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409399189	YHESJDIDKPMCCN-UHFFFAOYSA-N	682.944	7.813	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409399345	ZTWALLQZBVYGLQ-UHFFFAOYSA-N	653.398	7.441	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1O[C@H](C)C(=O)OC	409402237	JIFDUKQMUMIPHM-LNUPBTJSSA-N	559.619	5.369	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)o2)cc1	409403582	NLGIRIAWHMHXDE-OHUYPAJKSA-N	609.595	6.425	50	40	KKGB	
Cc1cc(C)cc([C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@](=O)C(C)(C)C)c1	1857795043	INELIXLRNPBNLZ-SVXHESJVSA-N	513.687	6.545	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2c(OC)ccc3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1	1823382	NTCXZFSNSTYGSZ-STBIYBPSSA-N	501.656	5.667	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1N1C(N)=C(C#N)[C@H](c2ccc(C(C)(C)C)s2)C2=C1C[C@@H](c1ccccc1)CC2=O	2090988	BXGVXKSQRFQERQ-PIIWDFAUSA-N	538.673	6.961	50	40	KKGB	
Cc1ccc(O)c(C(=O)[C@@H](Br)[C@@H](Br)c2cc(Br)cc3c2OCOC3)c1	2300477	RICORXCBDXQHPC-HOTGVXAUSA-N	535.026	5.412	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1ccccc1	2331348	IVGWYODORVGCGL-FZBRZNRVSA-N	504.011	5.722	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1	3081663	UEAHXQCOEUDZFU-OKCVXOCRSA-N	555.469	6.504	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1	3090260	FESRMXLQBLUMNE-MUFRIFMGSA-N	505.343	5.653	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	3144163	JWEOPRVXJUYGSP-QFERQNEASA-N	549.678	9.359	50	40	KKGB	biogenic
COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	3230203	RCDYCLCKODRUHY-FMFFXOCNSA-N	530.584	5.669	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c(Br)cc1OCc1ccc(Cl)cc1	4196339	CNEJUNSFWPQZRZ-MHDJOFBISA-N	627.004	7.802	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(Cl)cc3)n2-c2ccc(OC)cc2)cc1	9086517	GKCHBRJHVIFARO-OGLMXYFKSA-N	522.030	5.237	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(-c2ccccc2)cc1	9428285	WGTKOSZKGJNZCB-DIBXZPPDSA-N	504.706	6.438	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	12250458	UJWUVJNBPYRKGS-VWLOTQADSA-N	519.026	5.948	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC(=O)c1cccc2ccccc12	12585802	SDNUFXLYYIXPTD-YBFXNURJSA-N	517.368	6.920	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(NC(=O)C(F)(F)F)cc1	22835197	GNXZLPZPLCNBRW-UHIZKJEFSA-N	510.903	6.210	50	40	KKGB	
Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(F)cccc3Cl)oc2c1	38700604	VHNQYLCPQAXYTM-XMMPIXPASA-N	502.929	6.588	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	59297031	JRUMIDBOUXCGGB-YBFXNURJSA-N	515.329	6.901	50	40	KKGB	
CCCCC(=O)N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1	59474772	RQIDWKOLHVOPMP-TWKHWXDSSA-N	509.635	6.396	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccccc1Cl	97962632	HGJCZSLWAAIPCW-KULFSUQXSA-N	696.454	9.365	50	40	KKGB	
COc1ccc(OC)c(/C=N\NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)c1	97966441	XCAFJHSYJDHGKJ-FZKWRIDDSA-N	552.030	6.769	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1	97982940	ZPKQCBRNAWEESN-LICLKQGHSA-N	543.573	5.385	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)cc2OC)c1	100047020	BEXMWFXCNOJJQK-HNSNBQBZSA-N	546.664	6.166	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)[C@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)cc1	100097912	JCJCYCKLFLYCLI-OASJLCFRSA-N	606.091	6.508	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)c2C)c1	100125988	RABHHKUPZZOTRH-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(C)cc2)cc1	100242926	MLURVYMAUHKBCE-FMFFXOCNSA-N	572.731	5.764	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C\c2ccc(OCC)c(OC)c2)cc1OC	104166778	ZWBDAJWPJWYKPO-RYJWMXFHSA-N	554.688	5.222	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	150385857	WXGXQWJKPJGZNK-OHUYPAJKSA-N	662.437	6.547	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408550075	BEARVBKUGNJCQB-NCAUGAEKSA-N	645.091	6.208	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550281	FLRGRHYFRMYFCV-YDZHTSKRSA-N	568.496	7.539	50	40	KKGB	
N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C(=O)Nc1cccc(Cl)c1	408552191	PCPBMAWBAVCXSM-SXGWCWSVSA-N	500.769	6.210	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408567498	FIDKVWOETMNZIV-FJEPWZHXSA-N	587.119	6.024	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1	408604294	HZKBZHJOFCQXGN-QGZVFWFLSA-N	514.409	5.467	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(I)cc1	408607513	SRVTVWQOFVTDLZ-QGOAFFKASA-N	564.383	5.648	50	40	KKGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408608784	IPWKPFXHMCJXDE-KKMKTNMSSA-N	545.261	5.100	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1)C(=O)Nc1ccccc1Cl	408611386	QTYDOPWLFYDFAI-LUOAPIJWSA-N	539.188	5.563	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	408643994	GQRSPRHRDOTENF-WFXMLNOXSA-N	539.818	5.545	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408643995	QLFKIGBBAZOAQL-AGRFSFNASA-N	697.610	6.292	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408676650	LVQJXIYFBLONAI-OCSSWDANSA-N	613.452	5.331	50	40	KKGB	
COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccc(C)cc3)n2)cc1	408727405	WLOVHCIMSXYQBZ-QNKGDIEWSA-N	514.585	6.065	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1	408741056	JUMBUWVWXOCQDJ-HWLOXFRGSA-N	579.660	7.891	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccccc1	408743238	RQHUPAJJGWOBBE-PDGQHHTCSA-N	559.201	6.178	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)c1	408745118	JVVISPQKISIKPO-JMIUGGIZSA-N	581.264	6.607	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)ccc1I	408748127	YUSHWIVNZXTVLM-RPPGKUMJSA-N	640.228	5.322	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408754318	MPJHLLVRDQTMBT-FOWTUZBSSA-N	562.387	5.614	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1	408755206	MVNMEJYPXKVIAO-BHGWPJFGSA-N	573.208	5.196	50	40	KKGB	
COC(=O)c1c(-n2c(C)cc(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)c2C)sc2c1CCCC2	408776873	RVUAKYDPGIIWMS-JAIQZWGSSA-N	509.635	5.830	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(I)cc1	408785525	GVEZAMHYGWIVAX-OVVQPSECSA-N	595.890	5.297	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccccc1Cl	408787934	HPOKDGZOVNKEAJ-VIZOYTHASA-N	709.536	7.981	50	40	KKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(I)cc3)c2C)c1	408788298	DPALYUXHVSWKAU-WGARJPEWSA-N	515.395	5.099	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(I)cc3)cc2Br)cc1	408792483	AHOFJUNPXZSUQY-YBFXNURJSA-N	647.263	5.974	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798089	UTAYTFGOHTVFBU-LZYBPNLTSA-N	628.091	7.485	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408798806	XCDCPLAKTSALLH-CAOOACKPSA-N	550.667	7.842	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3c(C)ccc4ccccc34)c(OCC)c2)cc1	408800250	LCUVXXXBSNTPHR-PCLIKHOPSA-N	660.508	7.453	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408814426	RHUMZEGUCDDHCX-FYJGNVAPSA-N	617.281	5.907	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	408826583	HHIRXJWYSTXOAT-UACWCTJZSA-N	674.222	8.540	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408827707	GFKUFBHDRXQALR-KVQDIILNSA-N	531.660	5.415	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)cc1	408831250	QKXYGGCVBYSFLH-OKCVXOCRSA-N	556.471	6.050	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1	408833017	RGJTZDVCTJDPTA-UHIZKJEFSA-N	663.967	6.037	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408838267	UERONOJDNHRRFY-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)c1cc2cc(Br)ccc2o1	408855975	OZVYOQULWBUNOQ-FXMZOFOKSA-N	580.635	7.093	50	40	KKGB	
Cc1c(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408860681	BPMLLTUUFLUHSF-RVDKCFQWSA-N	649.387	7.816	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(Cl)cc2C)cc1	408863297	QXUMVGRRGNVTHH-FABQOPTDSA-N	639.561	5.973	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408863318	MZWQKHPEZLTEKU-IRUJYSJTSA-N	579.234	6.415	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1	408870102	VKIPFEWVFIPCRL-QXUDOOCXSA-N	619.143	5.574	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2cc(Cl)ccc2C)cc1	408875622	GLHDFMRIDNCZFI-KBVAKVRCSA-N	532.065	5.554	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2I)cc1	408878328	AJIDQMQQLARULU-VCHYOVAHSA-N	664.237	6.027	50	40	KKGB	
COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)ccc2OC)cc1	408881360	KUZWFVDCLQKQHA-LDADJPATSA-N	600.263	6.302	50	40	KKGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1ccc(I)cc1	408889027	AURYWUSBEJRGME-HMMYKYKNSA-N	544.348	6.209	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1C	408891583	SULDUEFXVITIKO-BIZUNTBRSA-N	559.460	5.731	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408892506	BYTCEOGHFNMZMR-XDHOZWIPSA-N	603.385	7.155	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCC(=O)Nc1ccccc1	408948877	HFMPNIOMFUNEMO-BKUYFWCQSA-N	620.447	5.064	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccc(I)cc1	408963599	CPEMZSUQSOBZPW-OKCVXOCRSA-N	625.419	6.416	50	40	KKGB	
CCOc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408964554	VDFQWMNADVMDQC-FFIGWLAPSA-N	558.462	5.046	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Cl)cc1	408966287	ZHPUVMZACBIIIP-VVEOGCPPSA-N	555.778	6.863	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCc1ccc(Cl)cc1	408970566	BNOWGQCNOYFQNO-XODNFHPESA-N	543.801	6.209	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408973616	ZPBUFSXULXWIEQ-GJKDLVRMSA-N	756.421	5.584	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1I	408982636	IQHFOLPKBVQIDG-ZSOIEALJSA-N	555.597	5.573	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C(\C#N)C(=O)Nc5cccc(C)c5)cc4[N+](=O)[O-])sc3c2)cc1	408990308	KKSZCSFPYZUGDM-HZHRSRAPSA-N	605.701	7.771	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(C(=O)O)cc1	408990553	OCBMUENJUMPYDF-XKZIYDEJSA-N	565.851	6.962	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409001031	ZYFBBPPXNPGIJK-YPXUMCKCSA-N	588.083	6.265	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1ccc(F)cc1	409024846	XYMZBEMFOWZHSD-BVMLUPFRSA-N	507.949	5.534	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409026773	XWAIHFSWHOZAKS-KEIPNQJHSA-N	633.723	5.036	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(Cl)c(Cl)c1	409033576	FOTRLJDPKLMWEM-FABQOPTDSA-N	556.449	7.560	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409038038	DHGVOICOTHNZHH-DLCNMLRHSA-N	696.770	8.265	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OC(C)C	409041015	ZQABAPLZQVRODP-OCSSWDANSA-N	579.438	6.456	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409069362	CRNJHSWQFZWONL-OEAKJJBVSA-N	521.444	7.554	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCc1cccc(F)c1	409074267	YXEAGRNMCVPTOY-LFVJCYFKSA-N	500.570	6.476	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1	409075319	QTJPBQZFSJIGFQ-GZTJUZNOSA-N	576.266	5.833	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCOCC2)cc(I)c1OCc1ccc2ccccc2c1	409093295	YRLFIDXNCULPON-UCQKPKSFSA-N	568.411	5.188	50	40	KKGB	
CC(C)C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12	409150461	BXVPHJBVEIZFKH-ZOWVIHBMSA-N	545.511	6.369	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1	409167532	IMFDPUFTHLNBJI-WCMJOSRZSA-N	631.911	5.396	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)cc2c1	409185061	RBEXFIPQELDPDT-FDVSRXAVSA-N	582.407	6.244	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)cc2c1	409188289	YIUHHWWNKAINIK-NUJZUDFISA-N	513.428	6.315	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(I)cc1	409199379	CIMLUTLKXUCZMM-KKMKTNMSSA-N	601.293	6.428	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)c2)cc1	409220196	ZCHZIRVXJPEUCR-UHFFFAOYSA-N	592.435	6.246	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccco2)c1	409227160	SRPWASPYCQIFJM-UHFFFAOYSA-N	596.821	5.940	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccc(I)cc1	409232661	AZZLWOSRNZPJJR-KBKYJPHKSA-N	688.329	5.133	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)NCCCc1ccccc1	409242842	WEPPYOOAYCPLFH-BKUYFWCQSA-N	591.276	6.833	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1	409255126	ZFPWGTYEIPGMFZ-WQRHYEAKSA-N	599.279	6.092	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409262381	IFUIAYLMRWOMSG-JAIQZWGSSA-N	582.440	6.050	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409301011	BVELNCVVRMWDFI-LQNQUEJISA-N	538.000	5.094	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1	409302862	LDIGQJURWNMKHA-YKQZZPSBSA-N	551.020	5.459	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1OCC	409321026	DVHOERPJJDPVEO-MNDYBZJGSA-N	517.384	6.439	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)c2ccc(Br)cc2)cc1I	409366079	YSNXXGLDRJLCBW-ZVBGSRNCSA-N	613.031	5.209	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Cl)cc1Cl	409372790	QPDPUXMAJRHCGC-PPDIBHTLSA-N	589.726	5.751	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)cc(I)c3OCc3ccccc3C#N)[nH]c2c1	409389809	APLFUKOZPXOPPC-LSCVHKIXSA-N	658.237	6.296	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)[nH]c12	409394929	HQVWDOWSTFIKNC-UHFFFAOYSA-N	632.268	6.808	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)cc1	409394976	IHTLFUZRLXPTPN-UHFFFAOYSA-N	552.428	6.889	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409397021	FBFJWMXOGQGQCY-UHFFFAOYSA-N	616.899	7.633	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409398167	RKGJOVKVDGYROA-UHFFFAOYSA-N	683.424	7.450	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409398506	UBFHRVSNHDMAIH-UHFFFAOYSA-N	606.893	8.177	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccccc1Cl	409399072	XQUWVGNTQDDIIV-UHFFFAOYSA-N	511.940	6.611	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1cccc(C)c1	409401661	HYNLQKWJQYAAEU-KDHRXPGNSA-N	617.746	8.045	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1O[C@H](C)CC	409405967	VNERNHKOEYVKRE-QUFIRZMCSA-N	655.533	7.211	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc(Cl)c1OCc1ccccc1F	1876149	FMHUDZYQIXXHTL-FJEPWZHXSA-N	568.030	5.253	50	40	KKGB	
O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)C1c2ccccc2Oc2ccccc21	2745176	WCRVQHJQLFHPNF-QVTSOHHYSA-N	538.401	5.754	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)Cc2ccccc2)cc1	8454084	ZVUDDSSLHMJCHG-UHFFFAOYSA-N	540.730	5.613	50	40	KKGB	
CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1OC	9693278	KPIPIIAEEPUGJX-GOSISDBHSA-N	500.418	5.076	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	14131028	YWSLFEOVXUQMRS-JMIUGGIZSA-N	517.250	8.106	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc(Br)c1O	28296650	RSFCYWXOPRXMKK-MUFRIFMGSA-N	519.399	5.234	50	40	KKGB	
N#C/C(=C(/NC(=O)c1ccccc1)SCC(=O)Nc1ccc(Cl)cc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl	33354543	JVTRVFPILNUSDJ-DLHLTMALSA-N	614.554	7.887	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cc(C)cc(C)c2)cc1	59855932	BNQUXSBBMNCHSK-BIZUNTBRSA-N	586.670	5.445	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	59856602	BTHXJVZBMHWTCB-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
O=C(N/N=C1\C(O)=Nc2ccc(Br)cc21)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C3/C(O)=Nc4ccc(Br)cc43)cc2)cc1	97983265	ZPNFJWNGCWRDCG-KKLWWLSJSA-N	804.408	5.840	50	40	KKGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1	98001708	YHHNJUBJRAYGTO-RAWMCFOBSA-N	656.081	5.631	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1OCC	100226050	QENQCVQVEFAASR-KEIPNQJHSA-N	606.144	6.605	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1C#N	100226274	KFPLMQFBSSJCBR-IBBHUPRXSA-N	526.471	5.156	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	100253051	IRAVIYWTHZJIHB-MUFRIFMGSA-N	544.520	5.719	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1	100336443	OBKRKZMHMZGHHG-NDENLUEZSA-N	524.358	5.733	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2c(C)cccc2CC)=C(C#N)[C@H]1c1ccccc1Cl	101305137	DPUGTSBOYBLWRO-HHHXNRCGSA-N	572.130	6.979	50	40	KKGB	
O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C/c1cc(Cl)cc(Cl)c1O	101655906	VBAWZKLUKCOWIX-KKMKTNMSSA-N	577.291	5.952	50	40	KKGB	
O=[N+]([O-])c1cc(C(F)(F)F)c(C(F)(F)F)cc1SSc1cc(C(F)(F)F)c(C(F)(F)F)cc1[N+](=O)[O-]	102580298	COGUDTSJYZQCGE-UHFFFAOYSA-N	580.328	8.378	50	40	KKGB	
Cc1ccc(Sc2ccc(C(=O)NNC(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)cc2[N+](=O)[O-])cc1	102914273	MLQLRRCUDSKHTM-UHFFFAOYSA-N	552.587	6.484	50	40	KKGB	
Fc1cc(N(CCCl)CCCl)ccc1/C=N\CCC/N=C/c1ccc(N(CCCl)CCCl)cc1F	104091307	NUQWRRWRWHJVBD-DHSSLTKXSA-N	566.351	6.461	50	40	KKGB	
CC1(C)CC[P@@+](CCC[P@@+]2(c3ccccc3)CCC(C)(C)c3ccccc32)(c2ccccc2)c2ccccc21	104216732	UQZXRBHVHKHGPS-YDAXCOIMSA-N	550.707	8.076	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H]2O[C@@H]2[C@@]2(C)[C@H]3C[C@@H]3O[C@@]4(OC[C@@H](C)C[C@H]4Br)[C@@H](C)[C@@H]32)C1	123213668	IRGXIYGEVPSGHA-CPBIARPCSA-N	551.562	5.725	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	150405819	BAHYDDYEYVLSHE-KBKYJPHKSA-N	631.639	5.474	50	40	KKGB	
COc1cc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc(OC)c1OC	150608763	HLZPPIPMCBUTAK-DBFSUHOCSA-N	645.359	5.123	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@H]3ON=C(c4ccccc4)[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	250816742	PCPWWUPRFBJKIV-LQRJQBNNSA-N	613.634	6.821	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408541272	YSSMGRLPVFXKQP-MZFJOGFUSA-N	510.590	5.934	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543222	NTQYEKCJUNSPEE-KCSSXMTESA-N	546.023	6.064	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)c1ccc(Cl)cc1Cl	408579843	KJZMYFHIQKTBBL-VIZOYTHASA-N	556.056	8.301	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCc3c(F)cccc3Cl)CC2=O)cc1	408604363	IIQWKJFCVSKUCQ-GOSISDBHSA-N	511.981	5.125	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	408644301	QWIOQKIPJHPWPW-SEXKYXSUSA-N	645.175	5.772	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1	408648651	KALGHSYRFIMNLH-ZGSAEMGKSA-N	739.373	5.140	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408652569	PBWMGHCHTXGETP-ZZFPVUGMSA-N	675.176	5.495	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1	408745775	VMBYJIACMCUYBD-GRSHGNNSSA-N	538.341	5.453	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)ccc1I	408747403	NJSMOOVQZKFZOL-ORBVJSQLSA-N	759.991	7.317	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(Br)c1	408755896	WSYWCGGCOVNOEE-GDNBJRDFSA-N	532.272	6.714	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1Br	408761763	BHZPOKIJDMNILJ-KGENOOAVSA-N	562.261	7.489	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(I)cc1	408779668	HEKIJYYIZXTTKO-PDGQHHTCSA-N	503.181	6.525	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccc(Br)cc1	408783558	MVRNBNUVTFJLCY-MTJSOVHGSA-N	584.308	7.352	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1C#N	408796194	OLABOUGNKPEGBA-RGVLZGJSSA-N	536.813	6.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1	408796383	OTNOEEMVLPCPIA-XDHOZWIPSA-N	511.803	6.626	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I	408797455	RYJJUXWNIKUWRU-VGOFMYFVSA-N	557.613	6.126	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408799173	YCDTYAUBBJBCDU-VCHYOVAHSA-N	522.901	5.680	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)c(C)c1	408808341	FUTCRBJAQSUEGR-BWAHOGKJSA-N	548.712	7.449	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc(Br)c1OCc1ccc(Br)cc1	408813730	RCZMZIUEIGJKFU-UDWIEESQSA-N	600.307	7.052	50	40	KKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1	408818004	XPCWMNABGLSYRN-NTFVMDSBSA-N	507.432	6.213	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1	408828247	DHSUVLHHTBOATJ-MUFRIFMGSA-N	542.444	5.741	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408834065	SUQKJEZRXMPKQP-OEAKJJBVSA-N	563.868	8.350	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)c1ccc(Br)cc1	408840095	XNMXCDPLSIUJCE-XZYGTATASA-N	676.520	6.109	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408840139	BJCOTOLBMSEHNB-MHDJOFBISA-N	625.306	7.300	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)o2)cc1	408845279	VPISGGSACIMKGL-JEPNHJGPSA-N	695.219	5.567	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(Br)c1	408849497	WEJAGOIHMXUEDU-LSHDLFTRSA-N	514.626	6.373	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1	408860116	SLHIBBYATHTQNF-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)cc1Cl	408861630	DRJGFRIIYJSXAM-XICOUIIWSA-N	614.123	6.426	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc2ccccc12	408862959	JOYMREAWKNMJNW-BIAHDLMSSA-N	535.069	5.204	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408866902	HISGTAPNSYWZGF-KULFSUQXSA-N	653.404	7.666	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccccc1	408891950	WFQVOGMXQSFAGJ-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1Br	408895584	LKMWKSDGDMUFFV-LICLKQGHSA-N	576.672	6.998	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cccc(Br)c1	408897709	ZLSFCRBYMAQVAG-KBKYJPHKSA-N	695.520	6.655	50	40	KKGB	
N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408934736	FXJRYUHIDFIRJW-UQQQWYQISA-N	539.429	7.153	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1	408946921	MZXMWQUCFATKJT-LJAQVGFWSA-N	655.148	5.342	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408953330	PUMISUROVSIFHJ-UCQKPKSFSA-N	601.501	5.921	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC	408970515	ARMZRNMCMVZNEC-UVQKAKQTSA-N	623.331	5.418	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c2ccccc2)cc1	408977439	DJLSGGNLWFGFLV-ORCNLAPZSA-N	568.674	5.697	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1Cl	408981866	CLUYWUHISWUTJA-WOJGMQOQSA-N	515.782	6.206	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1Cl	408989667	UXQLEUMIJPKSNV-NVMNQCDNSA-N	526.774	6.444	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)cc1C	408990630	LERYPKPNAMCRNV-LICLKQGHSA-N	531.575	6.426	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)cc1	409033878	FZJASLNZOFFAFW-UZWMFBFFSA-N	501.542	5.894	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)cc1	409066923	DMDZIBUNUFFXID-SFQUDFHCSA-N	606.292	5.924	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)c1cccc2ccccc12	409178616	MHCOTBPOMYQHAX-BJMJIWKHSA-N	561.641	5.802	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1ccc(Cl)cc1	409187677	AOVIKWBQVAGUOJ-RWPZCVJISA-N	540.788	6.441	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(I)cc1	409215892	GFFRCGQXHXFVTE-ZDLGFXPLSA-N	546.748	6.505	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(C)=O	409222142	ADSLYUYYMPGKTC-UHFFFAOYSA-N	674.460	5.347	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)/C=C/c1ccccc1	409223570	GFAJITOYMWNPTI-IQPFXWIOSA-N	547.611	6.029	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c2)cc1	409224161	JDLCLAZGEPWRSP-UHFFFAOYSA-N	714.208	7.518	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OCC	409225281	KHGAUMHDPIFZOH-JJBLJPBOSA-N	502.352	5.039	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(I)cc1	409228315	XELUPAIKHDPASV-QWQBBLJPSA-N	538.385	5.663	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1C	409249447	IMOUAMFUHARKNB-RODHXAHZSA-N	733.486	8.477	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409260064	KEGGMTZFLOMJGC-KEBDBYFISA-N	524.404	5.551	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409261198	BVCBGIVSZYPBKO-MTJSOVHGSA-N	503.986	5.837	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)ccc1OC	409309779	MITUYTVHYSMNFV-QDTIIGTASA-N	596.703	6.615	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)ccc1OC	409323451	PCHFUCSJNRZESO-WKIKZPBSSA-N	607.255	5.870	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl	409364553	OADSNKSOGXKOJB-KVSWJAHQSA-N	584.241	5.748	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1O	409372971	UFXYTIKUPZAMHV-LUOAPIJWSA-N	605.725	5.456	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccc(Cl)cc1	409373386	QVAXBAYTFKYJTL-ZMFRSBBQSA-N	532.778	5.291	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409380183	JSTUMEFRCRXUMA-HQDYHJHZSA-N	612.111	6.997	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)n1	409381296	FVSPJQWOHLJXCH-CAOOACKPSA-N	594.101	6.614	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccccc1	409390550	FEOISPIABFICGP-WQRHYEAKSA-N	502.958	5.705	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(c1ccccc1)c1ccccc1	409393083	UYEBVJLBDJDYRY-KYHGBAKBSA-N	706.749	7.410	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409394566	CFTOTHPOPMBXGA-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409394657	DGYVTXJFRAVNPA-UHFFFAOYSA-N	564.554	5.743	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)cc1	409395388	NBSNEXHTSMYYJA-UHFFFAOYSA-N	694.323	7.194	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccco1	409395925	UBCBXYDFMMEDND-UHFFFAOYSA-N	688.703	7.432	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409396982	DQENBLPOIKORCN-UHFFFAOYSA-N	521.573	6.372	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(Cl)cc1	409399935	AIQLWYAQLZXGLB-ADJDCTSUSA-N	697.413	8.687	50	40	KKGB	
CC[C@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1[N+](=O)[O-]	409406598	XFUIVUPOVBAQFP-KUVSIYKGSA-N	565.026	6.769	50	40	KKGB	
COc1c(C(C)(C)C)cc([C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@](=O)C(C)(C)C)cc1C(C)(C)C	1857795198	SPPWTTTZCGMIIW-PSLXYLBZSA-N	627.875	8.532	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1	3090231	GHOVWWSDHDKHGN-MUFRIFMGSA-N	549.368	5.226	50	40	KKGB	
N#CC1=C(SCC(=O)NC(c2ccccc2)c2ccccc2)NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1	3277163	LAIVUPILMFPMJP-NDEPHWFRSA-N	523.633	5.894	50	40	KKGB	
N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@@H]1c1cc(Br)cs1	3664914	GFHRIRILXYMTNC-NRFANRHFSA-N	525.497	6.017	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	3669227	QKOUPKYSHNSZAZ-JOCHJYFZSA-N	505.615	5.493	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3cc(OC)ccc3OC)cc2)sc2c1CC[C@@H](C)C2	6167535	ZBQDMLDTVZAFEQ-HHBZTPDFSA-N	593.702	5.237	50	40	KKGB	
CC(C)c1ccccc1-n1c(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)nc2ccccc2c1=O	6171662	BDGDKOYFQINLGK-QOMWVZHYSA-N	510.644	6.123	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	8853623	PEFXPUWBNZMHQO-UQRQXUALSA-N	527.646	5.553	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	20348608	KNMDIPANLFGQSR-MHZLTWQESA-N	512.610	5.841	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)c2C)cc1C	58915362	CHFLHQNLYMXYOE-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccccc1	59427830	NJBZFIASHVLECE-BIZUNTBRSA-N	505.574	5.283	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)cc1COc1ccc(C(=O)OCC(C)C)cc1	97948739	UVAULULBCRDJQR-WJOKGBTCSA-N	600.675	6.848	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	100122187	OURNQCOGNOQPLR-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccccc1	100123140	GKMGQMQFZUZPTJ-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2cc(C)cc(C)c2)cc1OC	100304195	PZSYYLXYNZAEJU-DPNNOFEESA-N	609.148	5.727	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2)N[C@@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl	100843615	RIVOCWVLNAQVDC-FBLLAGFSSA-N	578.037	5.945	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Br)cc1	100853751	NPXGTUMSWDFCNJ-UUYOSTAYSA-N	527.922	5.879	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	101558636	VAGWUYJDYDYKRE-MUUNZHRXSA-N	578.521	7.113	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	101564846	PJLQCKDCOWHIQD-DEOSSOPVSA-N	542.488	6.439	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	101883711	OOFJPYMKYKSVIM-UUYOSTAYSA-N	589.446	6.082	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	103883632	XBWDFAYMZLSXAI-STZFKDTASA-N	601.328	6.599	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(I)cc1	103883718	SWTOHFAOEQUNGM-MOHJPFBDSA-N	593.465	5.525	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccc(Cl)cc1)=N\NC(=O)c1cc(Br)ccc1O	104316814	RVSWLNFGCUWUED-LTOHIISPSA-N	608.884	6.326	50	40	KKGB	
CCOC(=O)[C@@H](CC(C)C)NC(=O)c1cc(Br)c(C(Br)Br)c2c1Nc1c(c(C)c3oc(=O)c(C)nc3c1C(=O)N[C@H](CC(C)C)C(=O)OCC)O2	150383053	MYIYHVKPWUTACV-NHCUHLMSSA-N	901.444	7.620	50	40	KKGB	
O=C(Nc1cccc(NC(=O)c2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)c1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	150440119	GVRQUTGCICKHTI-UHFFFAOYSA-N	724.516	5.128	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	164798692	PKUZEDBQCNEUJX-AABVJFSESA-N	640.080	5.733	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccc(Cl)cc1)N2	245232515	WUFJXFLQFQGKDW-NCIBMYPZSA-N	550.489	5.934	50	40	KKGB	
CC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1	245241790	OSFBWDWTEGNTAL-JEBQAFNWSA-N	522.075	5.514	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2OC)ccc1OCc1ccccc1	408539575	XRFYDIAJYONTAK-YZSQISJMSA-N	552.602	6.937	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(C(=O)O)cc1	408541997	IVLYIJLSMCIZAW-NVMNQCDNSA-N	550.179	6.939	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc2ccccc2c1	408549211	QVJBYIDNXWCRLF-NKVSQWTQSA-N	543.675	9.206	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550811	HKWYZJOYBMMPMI-RQZCQDPDSA-N	625.144	7.999	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NCc1ccccc1	408554672	SQJWHSMMKGOVBD-VCHYOVAHSA-N	559.247	5.997	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc(Br)cc2)cc1	408580665	QLHDHTPAKUXKRW-VXLYETTFSA-N	562.099	7.926	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1	408583238	STWJNZATAYIGHG-YBFXNURJSA-N	511.803	6.501	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc(I)cc1	408711651	CWPPXNJKCYBMPA-FDAWAROLSA-N	556.403	6.941	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408729713	CEJVJUMXYKJGGK-GYHSTGKTSA-N	658.805	10.700	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408743819	BVQGXEFMFNYLNV-BOPFTXTBSA-N	593.646	6.832	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408763330	MTKDKBHIOFEVCY-KPGMTVGESA-N	544.394	5.831	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc2I)c1	408782163	IEBQJWBWJGTLAO-IUXPMGMMSA-N	586.211	5.215	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1	408784066	RAJNOUNGFKBFET-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c1C	408788058	ANOWJEUCZQJGDG-BUVRLJJBSA-N	511.419	7.344	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Br)cc1	408794615	JQSUXFTVOXGDPG-SRZZPIQSSA-N	554.282	7.262	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1	408795553	LNJDVAJFJNCLEQ-XDHOZWIPSA-N	526.228	6.645	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408795804	MQFBENFNAGHEOG-DJKKODMXSA-N	560.275	7.506	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(I)c2)cc1	408796525	YMYUTISFOWOULD-UDWIEESQSA-N	570.358	5.732	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1Cl	408805892	MCBFXEXITZENMS-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408822600	CIWFTNDXQVXXTP-CVKSISIWSA-N	723.405	8.383	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408837339	CPTSRZFHRGSCLJ-BIZUNTBRSA-N	573.671	5.394	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408842320	JAAFVKHLGDWJDE-OAQMXIGCSA-N	767.510	9.819	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408842420	JZLPCNQVAIXJJD-IRWBXMRWSA-N	768.454	9.329	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3C#N)cc2)cc1	408853452	SPGCLRSFULXPRL-QHDYCIAZSA-N	510.597	6.667	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)cc1	408859050	VGMTYBGMNNUGAO-WBIBEUCMSA-N	616.918	8.351	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1Cc1ccccc1Cl	408877274	USIFTMRXDSTHDH-WOJGMQOQSA-N	530.249	7.291	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1	408882232	LVUUFVCLSBLUAE-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(O)(c1ccccc1)c1ccccc1	408884305	WUFYTDGECTYBJE-FDAWAROLSA-N	505.401	5.959	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OS(=O)(=O)c1ccccc1	408893219	GCRVFYCBYXQBOG-GHRIWEEISA-N	517.390	5.705	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1C	408925336	RCGMRVITOJZSQO-UDWIEESQSA-N	524.358	5.733	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	408944650	JFQPQBQQSPBJJL-HHHXNRCGSA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1	408948520	PHSMJKQBLNLWFW-MHZLTWQESA-N	716.452	5.676	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c(OC)c1	408957430	UKWWPZRMODVFIS-PMJAWKLHSA-N	846.300	6.668	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)c(OC)c1	408957585	VDJIQYNFTDNAEH-RZNGARSMSA-N	824.410	5.204	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=N/NC(=O)NC3CCCCC3)cc2OCC)cc1	408969933	XDNVNSKMIMATES-UQRQXUALSA-N	525.690	6.468	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408982334	XQXZJYHVNNATNT-YSLFSMFASA-N	527.624	6.430	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1	408982447	HBJHBKMHQQGFSU-QRVIBDJDSA-N	578.837	7.531	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	408995858	FGJFVXOJGVCREF-OCSSWDANSA-N	587.386	5.593	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12	409012490	IKHNDUSNPORRCM-PNFCWAGKSA-N	530.452	5.604	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12	409013968	LHEYKSBXPWCJID-PDCOQUBPSA-N	538.692	5.675	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409039164	WMNWLHDDACUUKK-OHUYPAJKSA-N	617.874	7.503	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC	409046409	REROMMJNPCKAON-MUFRIFMGSA-N	612.493	6.720	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(Cl)c1	409054974	WVVJUMDTGBLHDQ-XODNFHPESA-N	536.253	6.806	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409067538	FDFZFLYRJXXRKC-SFQUDFHCSA-N	547.416	5.714	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	409076535	BGGKPGRWHUSFIU-OVCLIPMQSA-N	536.293	7.567	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409077295	DMBSNNHFLVKKRC-MHWRWJLKSA-N	567.308	5.390	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409085683	CSHZNRJLZBGIEH-LICLKQGHSA-N	510.300	6.521	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409086222	YSDLVTYWHJFBEY-LICLKQGHSA-N	567.352	6.311	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1	409141666	JLIVJACGMLNIAB-PPOKSSTKSA-N	605.116	5.727	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409146021	RNEKIEYKRSRNRQ-KKMKTNMSSA-N	665.096	6.474	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)cc1Cl	409148207	YLTILXWNGIGEBI-QFIPXVFZSA-N	611.263	6.390	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c2)cc1OCC	409221891	BPDDSNFVQVBEQK-UHFFFAOYSA-N	709.391	7.244	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1	409225079	JLNWRLDHFQRTJN-NSKAYECMSA-N	554.297	5.984	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409253919	CNBJYIBYZJNMEL-YBFXNURJSA-N	615.855	6.133	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409254559	FBHSMKUMWNPSRC-MOSHPQCFSA-N	519.985	5.619	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409267086	LULALOROEURYPS-NUJZUDFISA-N	558.860	5.899	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1OCC	409322457	XJCQHSQCISHFIK-MWLSYYOVSA-N	543.845	6.409	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OC	409323480	PDARJXVXVNRROE-WGARJPEWSA-N	567.845	5.041	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1OC	409325764	AUMPVIQABHMSQY-NUJZUDFISA-N	564.263	6.672	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1ccccc1F	409372491	YNLHFXSNGZHUDK-PXNMLYILSA-N	505.156	7.133	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	409372742	IKQHTWNWKDQJNQ-ZRGSRPPYSA-N	565.193	5.531	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409380693	BDTXBZCGIWXOFF-YBEGLDIGSA-N	514.340	5.704	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395174	KPQJYFSLNHYEJM-UHFFFAOYSA-N	654.291	7.729	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409395505	OKTHYKYPIGYIPN-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccc(Br)cc3)o2)cc1	409400436	DDTYZCUYCHNBIJ-FZKWRIDDSA-N	598.497	7.372	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	409401827	IGGBVZZUQLHVME-HXUWFJFHSA-N	580.037	5.632	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)o2)cc1	409406537	XBNSWOJSAMJLEX-AEUUOICLSA-N	686.519	6.718	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1O[C@@H](C)C(=O)OC	409407502	ZYKAYVRVVGKANW-JMFBUSPXSA-N	599.684	6.098	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)o2)cc1	409408116	IRFWVHQWPJNHPR-ZMGVVAQMSA-N	557.990	6.642	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1	1529547497	LHILXQDQCCIQRM-MKEMXLLOSA-N	842.348	6.280	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1	1529547860	QAMTZNDMVQDMHW-XINRNAFCSA-N	797.897	6.171	50	40	KKGB	
CCO[Si](CCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC	1565683392	KKUTYDXMXJQPFA-UHFFFAOYSA-N	538.417	7.149	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@@H]1c1ccc(C)o1	1102428	MQZCACUGPKXAMN-MUUNZHRXSA-N	542.661	5.920	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C	2705729	WBWCFOITHXXBKA-OCSSWDANSA-N	508.603	5.098	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(Br)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1O	2744757	RREYXSLEWKWNQN-ZJIVOUCISA-N	585.915	5.632	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	3081833	OSAMPLOSLSEREY-BHGWPJFGSA-N	505.270	5.131	50	40	KKGB	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccccc1Cl)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6089775	DSXQTTNZNHITDJ-DBTHHAGWSA-N	560.459	7.594	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(F)cc3)cc2)sc2c1CC[C@H](C)C2	6167513	QCHLFPQGOZQWGV-ZALOIUACSA-N	551.640	5.359	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2ccccc2C#N)c2ccccc12	8812962	PDLWNYPYIIUKSM-WKULSOCRSA-N	501.384	5.405	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1)c1nc2ccccc2s1	9368919	LZTOVDCDQNCQSH-HMMYKYKNSA-N	500.535	6.839	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C(F)(F)F)C3=C(CCCC3=O)N2)cc1C	13174361	OVGJHVYMXOHOSJ-DEOSSOPVSA-N	511.569	6.123	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cccc2ccccc12	16157526	FJAWOEIHGTVOCY-FDAWAROLSA-N	509.403	7.098	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)c1	20243766	XLCPYIVUILUEKH-WCNLIYRBSA-N	518.908	6.758	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl	59856648	GWHRKSNHQOICIQ-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(C)cc2)cc1	59888490	QZQDVTXWYAAIGM-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@H](c3cccc(Br)c3)Nc3ccc(Cl)cc3[C@@H]2[C@@H]1Cl	97951144	KUAAYTYBXYXPSK-RNBKDOAQSA-N	550.305	8.049	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)N/N=C/c1cc2ccccc2nc1Cl	97962735	BSSIRZTXPGHPMV-ODNPBWNPSA-N	621.922	8.062	50	40	KKGB	
O=Cc1cn(-c2ccccc2)nc1-c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	97984635	IFCGMZVZXQOEIG-UHFFFAOYSA-N	523.576	7.161	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1	98000328	INKMTHRWYAGMSD-HHHXNRCGSA-N	579.509	6.709	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)[C@H]1c1ccccc1OC	98000350	LUXRODOWSIYSQZ-AREMUKBSSA-N	570.067	5.163	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	98048474	XRFSQZFGGVGFPL-XMMPIXPASA-N	566.908	6.901	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)o2)cc1	100210967	RFXHLNUSHKSYIC-JQRYVNTLSA-N	553.640	5.661	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332071	YZGJLQBLHUXYCH-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(OC)c1OC	100749049	ZWMMLLSUGJFKRC-SDNWHVSQSA-N	540.395	5.681	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2cc(Br)ccc2o1	101095091	HMTWKDWDSQBHTN-MNDYBZJGSA-N	578.260	7.454	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	101273236	GKUKTGHVKUNIAD-HSZRJFAPSA-N	524.986	5.045	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)c1cccc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)c1	102512542	SQLDJEWGBKYRDB-VPIUVCPKSA-N	548.010	5.936	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	105626822	XRTVPYMZTDQUSF-NVJOKUIPSA-N	526.203	6.682	50	40	KKGB	
CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341178	CXHCHHRDELZCFM-BYPYZUCNSA-N	752.087	9.505	50	40	KKGB	
CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341440	YITPXIPBTGBEJP-JTQLQIEISA-N	886.256	12.481	50	40	KKGB	
FC(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342304	OPIBYCMWJVQILA-REOHCLBHSA-N	842.037	10.293	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(-c2c(Br)cc(Br)cc2Br)o1	150503953	KFCHQVXMTNDAJF-QKFKETGDSA-N	645.145	7.443	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	162476266	AWHYJLJIYXMEHJ-KULFSUQXSA-N	719.485	7.614	50	40	KKGB	
O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	245231657	HLLGIHOHYYUOEV-SUHOFRIBSA-N	525.970	6.240	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)ccc1OCc1ccccc1	408537457	FJXRBYMPNBLXJJ-JFLMPSFJSA-N	676.405	7.992	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(OCc2ccccc2F)cc1	408554331	RRXGMZOQDPWADZ-LFVJCYFKSA-N	550.659	7.170	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccccc1C#N	408569184	MEVWIDVDYDZPLL-LSCVHKIXSA-N	503.331	5.988	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccccc1C#N	408569250	MMVAOCAQVXUMEN-LSCVHKIXSA-N	550.331	5.830	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	408579717	JTMFLLQFBUPLJU-GZTJUZNOSA-N	549.240	6.052	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)Sc1nc2ccccc2[nH]1	408598469	BBBXOILZMWCRQD-RQZCQDPDSA-N	714.164	7.770	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408680387	GEBXQPPXTZOMAM-FSMQDNEQSA-N	635.567	5.982	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1cccc(C#N)c1	408711727	HTSYJTKSYSKINI-CCVNUDIWSA-N	559.791	5.558	50	40	KKGB	
COc1c(I)cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1I	408736821	IPKDABDKSUVZDW-PSVUBMJASA-N	722.321	5.374	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c(Cl)c1	408739384	BIOSKXRZXQGGGN-IBBHUPRXSA-N	615.753	7.615	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408761160	CMNWHLKDURAEIL-CPNJWEJPSA-N	608.426	5.832	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(F)cc1	408765079	WFQRANJZISTBRJ-ZDLGFXPLSA-N	574.244	6.874	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1cccc(F)c1	408765407	VUDZRBMUSRNCCZ-ZDLGFXPLSA-N	574.244	6.874	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)c2C)cc1	408787317	XMPGSDYFGMBZRD-RPPGKUMJSA-N	563.246	5.265	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408787717	FIKZYLWDIXNKFA-WOJGMQOQSA-N	590.699	7.388	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408791031	SNMNLTRFVOPSPT-LPYMAVHISA-N	549.421	6.233	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1	408791684	AVEIEWZDDNRDIJ-YBFXNURJSA-N	539.357	5.508	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCC#N	408793786	GGELRAPSBIRECI-KGENOOAVSA-N	532.394	5.875	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c1C	408796879	PQHSMDQKHLZKDD-VXLYETTFSA-N	558.245	7.092	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408797005	QREQBYOBRMHPGA-OEAKJJBVSA-N	746.770	8.253	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408812454	OUDKIRXMXUZQCU-NHDPSOOVSA-N	613.408	5.409	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1cc2ccccc2o1	408816404	JOWUMIGHYVVDGF-PPDIBHTLSA-N	501.739	6.331	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1	408823169	DYMWOBYHVLKGRK-HKWRFOASSA-N	600.911	7.177	50	40	KKGB	
COc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1	408825639	IUEJHBWWTJBNTA-ZMGVVAQMSA-N	629.522	5.383	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Cl)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408826152	SWWLLDLTDAIQIK-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408828538	HOLNUGGHCDZZGJ-VQZGIAJSSA-N	509.400	5.517	50	40	KKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC	408833155	TVIHAJUTKXQLME-KGENOOAVSA-N	525.432	7.306	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCc1cccc(C)c1	408833335	JHVSOCKKAAJTPE-KEBDBYFISA-N	585.882	6.952	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408835072	WTQFJUBPHURVSE-KBVAKVRCSA-N	582.078	5.414	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1O	408839299	QIFUQQKXVRGSPY-XODNFHPESA-N	571.884	6.838	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408840153	YACKRRRDCNJIEB-RWPZCVJISA-N	535.467	6.787	50	40	KKGB	
N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	408846215	PMDGDVKTNHODQM-ULJHMMPZSA-N	516.557	6.074	50	40	KKGB	
COc1ccc(NC(=O)N/N=C\c2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)cc1	408855731	GWRHTXRJOXRQJT-MSXFZWOLSA-N	520.225	5.783	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408856417	GZYKDBWEOTVYQM-RWPZCVJISA-N	521.586	5.081	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1	408856874	ROTSITRHUNKZEJ-RHKOWXKBSA-N	604.548	8.287	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408861786	ANHVYJTWAOFOEZ-IBBHUPRXSA-N	607.332	5.940	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408872314	CVOAWOBHRGHYKQ-FZPRHHONSA-N	613.523	5.052	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(C)cc1	408878966	BZVLNDZSLUTNQR-FYJGNVAPSA-N	538.385	6.123	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OC(=O)c1ccc(OC)cc1	408878978	CCAKJWLHEHQFTR-XODNFHPESA-N	566.235	6.146	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl	408890762	YSJVTILYVMMLRJ-VIZOYTHASA-N	526.634	8.078	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Br	408891080	LAMWVXYOEAKABD-VYVUJPJFSA-N	664.298	6.065	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1I	408904929	QONNWRWHGJRQSD-YVNNLAQVSA-N	593.057	5.845	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c(OC)c1	408950789	HPISVRIYEQTGPK-FKZKYSLJSA-N	822.407	5.270	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408984443	RCULOXPVATXITM-APSNUPSMSA-N	676.563	8.447	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409000988	OHFVORFRJFQZRX-RHANQZHGSA-N	502.412	6.200	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cc(Br)ccc1O	409139720	DSNHPEPJSXAPGB-NSKAYECMSA-N	755.970	6.469	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409170097	TZHJOCMYHDYDAV-KPGMTVGESA-N	645.938	5.705	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1)S(=O)(=O)c1ccccc1	409185632	NQXCVXKNUWGRLD-LQXUJBIFSA-N	675.207	5.482	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409200247	HFBDXMAHPMDUBQ-KBKYJPHKSA-N	707.715	6.279	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1	409225622	NGQMRSGSQXIOIJ-DMWXCBOXSA-N	578.581	5.167	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)c(C)c1	409267028	RMVQWYVGDXZPBN-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409268740	YKBHHNRSQTXNFO-AEUUOICLSA-N	626.138	7.306	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409269872	AMAUVYSWYYTBQH-DBFSUHOCSA-N	670.729	6.196	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2)c(C)c1	409270830	ICDWDICWAMBUEU-MWBNBJEGSA-N	610.139	7.605	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1OC	409301303	DUHAPXMWNLRYBN-MNDYBZJGSA-N	598.291	6.725	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	409310410	BAZRIJQPIFLNSD-FDVSRXAVSA-N	606.844	5.870	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OCC	409315605	NVBNZOWMSPHINQ-LJUMEUDFSA-N	554.043	5.626	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	409316729	MCUWILATEIRDOT-CAQPMQTCSA-N	624.475	6.593	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)ccc1OCc1ccccc1	409319771	LNHHJTCQCOOGHB-KYHGBAKBSA-N	688.394	6.639	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409362534	HPTQOIUNRJJOHO-YSYOEVFLSA-N	723.024	8.289	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCC(=O)Nc1ccccc1	409372511	YXDKURRRUUYQLY-ODLFYWEKSA-N	522.355	5.838	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])cc2Br)c1	409373100	LJFPFISLCSFPBJ-ZMFRSBBQSA-N	561.230	5.700	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1	409395368	MSRCXCYCQVBVEH-UHFFFAOYSA-N	661.350	7.742	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)[nH]c12	409396033	VOTBUMSQPXPCAM-UHFFFAOYSA-N	597.856	7.106	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409396336	XTTAOIQRCNQYPA-UHFFFAOYSA-N	647.869	7.151	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409396893	COIMZBWCSNFAJG-UHFFFAOYSA-N	663.899	7.393	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12	409397340	IVXWVDPTDBABND-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)c(-c3ccccc3)c2c1	409397872	OYCUQCYEXTWOTE-UHFFFAOYSA-N	519.557	5.835	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1O[C@H](C)C(=O)OC	409402263	JMXYUZOBTZOIAA-GHPUVNEGSA-N	717.411	6.894	50	40	KKGB	
CC(C)[Si]1(C(C)C)OC[C@H]2OC(n3ccc(O)nc3=O)=C(OC(=O)c3ccccc3)[C@@H]2O[Si](C(C)C)(C(C)C)O1	1081070653	LXZOPNOKKKUTCF-ISKFKSNPSA-N	588.806	5.287	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	1529546372	FQADKADXPKMUSD-LIICTPKDSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(I)c1	1529547103	ISIJETHSAPBPSS-UUTVKSQHSA-N	719.001	5.409	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(N(CC)CC)cc1OCc1ccc(Cl)cc1Cl	1529548845	NGCMKPXTDLPPIH-YWVSXFKHSA-N	698.673	6.304	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)sc2c1CCCC2	1785182	ATPBGMAQVJSVBT-MUUPNBPSSA-N	588.513	6.280	50	40	KKGB	
O=C(c1ccccc1OCc1ccccc1)[C@H](Br)[C@H](Br)c1ccc(Br)cc1	2559214	ZGISBVXBMLYJKD-NHCUHLMSSA-N	553.088	7.111	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1cc(Br)ccc1F	2698712	CYJHZLAGBKWGJG-KKMKTNMSSA-N	590.276	5.236	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	3088228	ZLBSWUXJOJGOIP-BHGWPJFGSA-N	549.721	5.240	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br)c1cccnc1	3101611	ZUPSZJNCHRXYKT-OPEKNORGSA-N	582.046	5.352	50	40	KKGB	
CCc1ccc(OCC(=O)NNC(=O)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)cc2Cl)cc1	3285154	BKEZTNZKLNZSMS-UHFFFAOYSA-N	590.407	5.215	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C(=O)OC(C)C)cc2)c1C	8812799	LGOLXEBMBQIPOH-MZJWZYIUSA-N	512.404	5.194	50	40	KKGB	
CC[C@H](NC(=O)OCc1ccccc1)C(=O)N/N=c1\cc(C)c2cc3c(cc2o1)OC1(CCCCC1)CC3	8991116	VVMYTSJINVIGEY-NYARCVKBSA-N	517.626	5.406	50	40	KKGB	
CCCCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccccc3)C2=O)cc1	9428270	KBTQMVAYQUBJLW-MYBLTPEZSA-N	509.675	5.814	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C	13525097	UXELRRXXQXXZJV-JZZWBZGKSA-N	534.632	5.174	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	20059434	OCBOYDOKFUMHOV-MWAVMZGNSA-N	513.619	5.245	50	40	KKGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	32520645	SFXBHUOUAMPARL-WKULSOCRSA-N	501.011	6.191	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccc(Br)cc1	59856108	VWWFSOFXMROHGB-ZXVVBBHZSA-N	528.472	5.186	50	40	KKGB	
ClCCSCc1cc2nc3cc(CSCCCl)c(CSCCCl)cc3nc2cc1CSCCCl	68562445	NXFYEXXAZWCDPI-UHFFFAOYSA-N	614.582	8.671	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccccc2)N1	97951900	UKGNNGNYADNVKJ-XMMPIXPASA-N	523.536	6.249	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	97964107	AHQYSYYNTGRPQK-MUFRIFMGSA-N	532.493	5.632	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[P@](=Nc1c(Cl)cccc1Cl)(c1ccccc1)N1CCOCC1	97984758	SGKGGSVWUKNSDH-DHUJRADRSA-N	525.420	6.527	50	40	KKGB	
CC1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@@H]1[C@H](Cl)[C@@]1(Cl)C(=O)N(c2ccc(Cl)cc2Cl)N=C1C	100365868	LKVYETOLTJCHBV-BBTUJRGHSA-N	567.087	6.647	50	40	KKGB	
Cc1cc(=O)oc2cc(N/C=C(\C#N)c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)ccc12	100748701	UKRSKJMVLSGULV-RVDMUPIBSA-N	532.375	6.070	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)ccc2OC)=C(C#N)[C@H]1c1ccccc1Cl	101042394	AVVGTQRBYYKYDQ-XMMPIXPASA-N	544.460	5.799	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cccnc1	101086795	IYRRVBLHZOEDFQ-UZWMFBFFSA-N	521.418	6.733	50	40	KKGB	
C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c(OC)c1	101109628	OXDBMWRZUGXISW-OVXMHFCVSA-N	593.463	6.418	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@H]1c1ccc(Cl)cc1	101273248	IRSRVZZRTJIWSD-HHHXNRCGSA-N	530.049	6.290	50	40	KKGB	
C/C(=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	101949279	YYGQCZQMIFIERT-JDCMOKTRSA-N	540.645	5.059	50	40	KKGB	
CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Br)/C(=C/c2ccccc2Br)C1	102224864	QNVVTVBFHJPOJL-GSTVHYHFSA-N	527.260	5.692	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	103877463	FQWQHADQPVHAMR-FDAWAROLSA-N	524.964	7.038	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	103890643	TYIDFIQSMCUTDD-YVLHZVERSA-N	591.245	7.187	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1cc(Br)ccc1O	104316854	WVRDBMSLFMKSCT-ZBIDQWECSA-N	619.436	5.581	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	211038454	WWYBUFBSMQGNDQ-JBASAIQMSA-N	521.683	5.427	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C1/C(=O)Nc2ccc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	253497788	UKBJVLJEAXCAFE-APKCACDFSA-N	570.174	5.519	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408532002	PIIMTLQRJKERAL-XKJRVUDJSA-N	506.817	6.105	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)c3ccc(Br)cc3)cc2)ccc1OCc1ccccc1	408540019	LTYIAHRAKOVEMG-OVVQPSECSA-N	540.457	8.070	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408541545	DBWACRCHVZJWGY-QRVIBDJDSA-N	508.401	7.462	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551884	NFJGRTFUYPLKFT-LZYBPNLTSA-N	704.270	7.579	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccc(C)cc1	408555862	YWMOLQGUPXQMCK-RGVLZGJSSA-N	562.489	6.703	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(F)cc1	408569001	LWBKZEMKRDGIGP-FJEPWZHXSA-N	605.551	6.574	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408569582	OSPOKYCKFJDBDD-CCVNUDIWSA-N	577.953	6.689	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	408579245	FGWLLZJFHYMKJM-LFIBNONCSA-N	509.208	6.588	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408609889	SKOHBKHULYCPMZ-GOSISDBHSA-N	544.435	5.476	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408642016	LZGNRFXUXJGQNB-SBNAJNSHSA-N	661.174	5.553	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408647224	WSMDNLCJFZGMEM-UVMNYOIOSA-N	673.185	5.687	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Cl)cc1Cl	408652903	PCUIICVGLKWKBA-IOGQTDPRSA-N	663.577	5.665	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408725553	LSYWFQUQZTZWGT-WQRHYEAKSA-N	574.802	6.086	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Br)cc1	408725764	JVTGTSNCMCSPOB-MZJWZYIUSA-N	591.256	5.790	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccccc1C#N	408747142	JMIHHRULZCFCJR-GRSHGNNSSA-N	614.237	6.059	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)ccc1I	408747219	KQCBKLVNGXFDPI-RPPGKUMJSA-N	595.777	5.213	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)NCc1ccccc1	408747957	WEGPZUXOMVXPIK-GRSHGNNSSA-N	638.218	5.837	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751298	BMJXFNQXNCKGKI-PAPLDOMISA-N	532.109	6.949	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1cccc2ccccc12	408760991	BRYLPPJTBMTRPX-XKZIYDEJSA-N	653.314	7.730	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)c(C)c1	408778592	HZLUPISIRFVJNY-MTJSOVHGSA-N	552.368	5.731	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408793028	CVYDZTMSWKVWLF-BUVRLJJBSA-N	603.900	7.815	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc2ccccc2c1	408795761	NBDAJRWCSFKMQH-AJBULDERSA-N	554.646	7.942	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408797652	SIQYWJZUBWTWDQ-RDRPBHBLSA-N	636.489	8.148	50	40	KKGB	
Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C	408811197	MIJLESZZTIXHCG-GXBUFBABSA-N	530.628	6.631	50	40	KKGB	
Cc1c(/C=N\NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c2ccccc2n1C	408815266	IWPSDFOCUYVBIB-NHYZDEDTSA-N	508.625	7.375	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1cccc(C)c1	408823055	DIESVQYZMRTRRU-OVVQPSECSA-N	597.509	7.860	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408826248	COXNYHGWWIEAHJ-AUGOTPMTSA-N	580.132	6.064	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408836598	SUZKOUWDEKCMDA-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c(OC)cc1Cl	408836962	XHTBMYVRFSRGJJ-LZYBPNLTSA-N	596.692	7.551	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408839230	PBSBPGIIVUUGGF-UXHLAJHPSA-N	542.389	5.685	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408839580	ASJMBQDCTTVENX-KBKYJPHKSA-N	553.196	6.016	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1	408840940	GPZOKJCOENCAKB-IPPBACCNSA-N	608.942	5.223	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1	408842202	NSXRVGLGNOGRAO-JJKQSNDFSA-N	607.427	7.079	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408846872	ROTXAQHCRMZFKI-AABVJFSESA-N	652.401	8.966	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)O)cc1	408857643	PBOZRYXQNLHCIZ-MWLSYYOVSA-N	532.394	5.443	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(=O)(=O)c1ccccc1	408863828	QKLQHLQRSKMCMR-QNVXDBMFSA-N	741.875	7.351	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Cc1ccccc1Br	408879717	FATVVEROORJOGC-VCHYOVAHSA-N	530.249	7.291	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2ccccc2Br)c1	408890294	QYLVSJHDVCXKBL-WOJGMQOQSA-N	531.328	6.601	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OCc1cccc2ccccc12	408898969	YTSKVIMDALGGLZ-HYARGMPZSA-N	608.863	7.621	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408904792	OSIQDJOOGVHXKY-FDVSRXAVSA-N	584.501	6.121	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408946368	MKWJDMUGIQAADR-NDEPHWFRSA-N	627.550	5.457	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408963468	DQOYTDPRCZOMPS-WUQZZNSYSA-N	566.496	5.397	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(Cl)cc1	408983584	MMNWYZXIJIBYPM-BKUYFWCQSA-N	556.287	7.918	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OCC	409009827	IMEIRJUTSRMNLB-ZCTHSVRISA-N	592.545	5.565	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409012577	KLZJFVAWRJLMIP-KLPHOBTLSA-N	714.713	6.773	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409021274	ZUNDOPVAUUKBTE-ODNPBWNPSA-N	646.582	6.716	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(CC)cc3)S(=O)(=O)c3ccccc3)o2)cc1	409025034	PQGNNILJOTYIJC-AJBULDERSA-N	559.644	5.031	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)cc2)S(C)(=O)=O)cc1	409026593	SYVIVAQRBOXERH-BIZUNTBRSA-N	542.705	5.750	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(F)cc1)c1cc(-c2ccccc2)nc2ccccc12	409047988	VLTIESWCMWGSGW-OHUYPAJKSA-N	554.419	7.146	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)Cc2ccccc2Cl)cc1	409074600	VQXVGNYEQGJRLR-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1)S(C)(=O)=O	409122859	CAPTXVMFQGYCEU-FDAWAROLSA-N	593.547	5.895	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1	409160757	XCOWFHAOOTYRQV-AMVVHIIESA-N	662.335	5.034	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1	409168125	KJPCMUAOYVIOEZ-KVSWJAHQSA-N	578.250	5.171	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)c1	409183565	DHRHHPRIWYBYLZ-HNSNBQBZSA-N	652.567	5.699	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1Br	409186868	IWUAQXYSLLDQCD-GATIEOLUSA-N	568.218	5.062	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1ccc(Cl)cc1	409191326	VPYCDTOXNVMJJI-KBKYJPHKSA-N	559.618	6.594	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccccc2Cl)c1	409223026	FYYIWMPOJTZHFL-UHFFFAOYSA-N	566.795	5.931	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NCCCc1ccccc1	409232774	PRXPYAGLYMIVQM-JAIQZWGSSA-N	578.721	7.644	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	409238112	CCRJAUGCECHDDL-PPDIBHTLSA-N	557.190	6.009	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409244021	WLQIPNZRUVHKER-MFOYZWKCSA-N	535.747	7.246	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409248393	GCBUFEVIYJKCPK-QRVIBDJDSA-N	623.491	6.487	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409249180	IQKFXQYPLBBSLX-MTJSOVHGSA-N	595.437	5.788	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)cc1	409258643	VBJURZHYRINGCW-JAIQZWGSSA-N	641.316	6.178	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409260654	UEHIGORTGBSFDZ-KOKCXWAISA-N	654.192	8.004	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3C)c(Br)c2)cc1	409264898	MSSURCGMJOLBSU-MOSHPQCFSA-N	548.393	5.107	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409267538	NLBKJFUEBDOYBJ-XKZIYDEJSA-N	606.473	5.814	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409312995	AISINOICQZDPRR-MUXKCCDJSA-N	592.284	5.970	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)ccc1OCc1ccccc1	409318852	YCOJJQNPOFHORY-OHUYPAJKSA-N	549.454	7.314	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)cc1OC	409322589	KUMQSBPFMCZHHH-PPDIBHTLSA-N	592.240	5.270	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1OCC	409325456	YQZVMPVOCOLDOX-FDVSRXAVSA-N	672.779	6.360	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	409339384	HZGILBGRXDBLRA-UHFFFAOYSA-N	593.071	5.631	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1	409361721	DSRLASXMESXARH-KVSWJAHQSA-N	628.692	5.857	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C	409371915	BPRHFPBIPJDNFD-ALQBTCKLSA-N	582.498	7.361	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)cc(OC)c1OC	409395217	LDFAMCDJXRRZBK-UHFFFAOYSA-N	771.846	8.031	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(OC)cc3)[nH]c12	409395812	RZOFMFIELPBCTK-UHFFFAOYSA-N	517.585	6.389	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccccc1Cl	409396495	YTBRWFIUWVKCSV-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12	409397871	OXWDEXFQRNHEGR-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(I)cc4c3-c3ccccc3Cl)cc2OC)c1	409398953	WYTWQZDJMGYUMW-UHFFFAOYSA-N	679.898	7.093	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(C(C)C)c4ccccc34)o2)cc1	409406590	XFSPBLILSSADCM-CAQPMQTCSA-N	508.622	6.874	50	40	KKGB	
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cnc3c(N)nccc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	1570001720	SOGOMPJANKBXFD-APJZGJRSSA-N	609.049	7.714	50	40	KKGB	
CCN(CCO[Si](C)(C)C(C)(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	1848351073	GYSKWKCUOAGNSE-UHFFFAOYSA-N	685.513	7.627	50	40	KKGB	
CN(N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1	1707231	UXEOHFXZVQUTDM-UHFFFAOYSA-N	598.607	7.279	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2-c2ccccc2)cc1	1868858	CRPDZCODWWWEHT-RDRPBHBLSA-N	563.525	5.785	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Br)cc1OCc1ccc(C)cc1	4047777	LZRGWCGUIHCPHA-KBVAKVRCSA-N	546.465	6.517	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(Cl)cc3)cc2)sc2c1CC[C@@H](C)C2	6167098	QAFLMJYENCCNIA-IAQOLKQXSA-N	568.095	5.873	50	40	KKGB	
CC[C@@H](Nc1cccc(Br)c1)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1	8398307	KYNDUKCXDXQFSU-JOCHJYFZSA-N	545.275	6.131	50	40	KKGB	
O[C@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1SSc1ccc(Cl)cc1N[C@@H]1CCCC[C@@H]1O	16385183	BSRKUWPLOROVET-UDKICSLYSA-N	513.556	7.224	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(C)c4)c3C)cc2)CC1	28217229	RZTFKQAIQKMNNV-PPOKSSTKSA-N	535.692	5.497	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccc(OCC)cc3)c2-c2ccccc2)cc1	97960705	UCCYKKNDUOPYPY-JJKYIXSRSA-N	581.672	7.932	50	40	KKGB	
CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C(/CNC(=O)c2ccc(F)cc2)c2ccccc2)C1	97962780	HRLKTNYVEXRYMB-CKGCHSGTSA-N	522.665	5.065	50	40	KKGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3sc(N4CCOCC4)nc3-c3ccccc3)cc2)c1	97980839	ZJQDIGGWXCTKOY-FMFFXOCNSA-N	554.716	6.421	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccccc2Cl)cc1	98048454	KYNBIPQUTBTKRX-HSZRJFAPSA-N	566.908	6.901	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C(C)=O)cc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048775	RBQLUUOPGDHMQQ-GDLZYMKVSA-N	568.655	5.310	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1	100336713	CAJOXEPMVIRKDM-ZDLGFXPLSA-N	546.748	6.505	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccc(Br)c3)nnc2-c2ccc(C)cc2)cc1	100870663	NWRNOGPAJLCTFM-VEILYXNESA-N	550.482	5.646	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	101558627	VAGWUYJDYDYKRE-NDEPHWFRSA-N	578.521	7.113	50	40	KKGB	
CC[C@](C#N)(P(=O)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102586279	ZQCQJTFMEGGNHH-UUWRZZSWSA-N	530.568	6.624	50	40	KKGB	
CCOC(=O)c1cc(SSc2cc(C(=O)OCC)c([N+](=O)[O-])cc2Cl)c(Cl)cc1[N+](=O)[O-]	103840194	LGSRJFOJOBQBHJ-UHFFFAOYSA-N	521.356	5.963	50	40	KKGB	
Oc1ccccc1C1N(Cc2ccc(N(CCCl)CCCl)cc2)CCCN1Cc1ccc(N(CCCl)CCCl)cc1	104051533	OVZMHFTVMGYEBY-UHFFFAOYSA-N	638.511	7.367	50	40	KKGB	
C(=N\c1ccc(SSc2ccc(/N=C\c3ccc4c(c3)OCO4)cc2)cc1)\c1ccc2c(c1)OCO2	104313847	CZDOEWGRIZHLKU-VHUXLRGGSA-N	512.612	7.445	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	104766485	IUFUIAJNHQIDKL-KBVAKVRCSA-N	576.834	6.338	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1cccc2ccccc12	109667854	XYWCNOUXNKXYDX-HNSNBQBZSA-N	553.456	7.497	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1	150386682	GQMMIXCQZCXZKU-CNCDYAKUSA-N	633.941	6.028	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(Cl)cc2/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1	150397590	AMURXDSMNHJULK-PPOKSSTKSA-N	636.174	6.554	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	162491033	ZBICPKRKRPIULN-KEIPNQJHSA-N	628.548	6.527	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc2ccccc2c1	164742498	ITNLSXDYJXNHBD-MTJSOVHGSA-N	629.281	7.884	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1	198305023	FVFLHIBQDVMFGD-GUBAARJWSA-N	638.145	7.027	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	216044971	SVYBVVXMLTYKTP-CPDSRJINSA-N	611.307	6.885	50	40	KKGB	
COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2	254169247	WPTTVJLTNAWYAO-OQFIWSAZSA-N	505.699	6.379	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)ccc1OCc1ccccc1	408537705	GYLRQADNLUVEDK-YDZHTSKRSA-N	666.341	8.063	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	408539621	IUBSOFNYGYWHRW-YZSQISJMSA-N	585.454	7.978	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OCC)c3)cc2OC)ccc1OCc1ccccc1	408540128	NJVNTYPXGACHPK-UUKRNIFRSA-N	739.663	8.756	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Br	408541580	ZYUKONWBJSNKEG-XSFVSMFZSA-N	548.319	7.805	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccccc1	408543406	QXLJSDBRRKVWHY-JAIQZWGSSA-N	521.367	5.671	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OC)c1OCc1ccc(Cl)cc1Cl	408545217	ZZLUQLIDFWKBGT-NHDPSOOVSA-N	537.399	6.553	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3cc(I)c(OCc4ccccc4)c(I)c3)[nH]c2cc1C	408545227	ZSTQTCVOBJUFKC-VXLYETTFSA-N	631.255	7.032	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1cccc2ccccc12	408551980	QJRSGKKCPFYIQJ-NTFVMDSBSA-N	534.453	8.797	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	408570474	VPYAQTOFUAVHCT-BRJLIKDPSA-N	503.001	5.306	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Br)cc3)cc2Br)cc1Cl	408579253	FJNHLCYVWMKNQQ-VCHYOVAHSA-N	560.673	7.255	50	40	KKGB	
O=C(NNc1cccc(OCc2ccccc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408604221	HTRXMUGVABANSF-QGZVFWFLSA-N	514.807	5.178	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3c(Cl)cccc3Cl)CC2=O)cc1	408612777	YRBBLEHQBSFWIZ-QGZVFWFLSA-N	532.855	6.284	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408676141	AEINXGAGKBOMPE-NCOADZHNSA-N	634.108	5.381	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)c2)ccc(Br)c1Cl	408682344	GCRCXIXBKVMECH-GPVWYMNVSA-N	614.707	5.177	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCc1ccccc1	408711923	QSMGREVWGGLQCG-VULFUBBASA-N	626.232	5.637	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408721910	BHKKQABCCMWKCI-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	408728656	QTCKGBQVPMHPLE-DFKUXCBWSA-N	532.065	6.198	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(I)c1OCc1cccc2ccccc12	408742232	VMNQQZOVMBADLY-MWBNBJEGSA-N	663.943	7.857	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)cc1	408743235	FGOQICOIYCRXND-NDENLUEZSA-N	664.281	6.728	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)ccc1I	408747160	JSMSZEPJHYSYSM-LUOAPIJWSA-N	772.546	6.505	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OCC	408753803	NYOBCLBLWSMSDU-LSHDLFTRSA-N	507.155	5.159	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1cccc(F)c1	408765751	NPUDBPLHDPQLGC-IUXPMGMMSA-N	560.217	6.484	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408789874	SEKSYQMOHJQQAC-RQZCQDPDSA-N	512.747	6.135	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408790694	XSPKYJMIFHYIIH-LHHJGKSTSA-N	561.079	8.732	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408794131	HONQYJWZELDHRL-CAOOACKPSA-N	642.118	7.794	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408815764	UYEPOJXDFYHAGF-UWSDUSPXSA-N	515.824	7.019	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2	408817990	OMLCXSKLPSSBKV-FMCGGJTJSA-N	561.432	5.717	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408821341	GJXRRZKNIIFCBG-YDZHTSKRSA-N	593.894	8.359	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OCc3c(C)ccc4ccccc34)cc2)cc1	408823763	GFYORCKLBMYRGI-VUTHCHCSSA-N	617.543	8.923	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408832433	YOGOYUINJVEDIL-KEIPNQJHSA-N	609.535	6.290	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408838209	SIBNASBJFTYNAT-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408838969	KYCMRSROHZNNJG-IZYHBKOJSA-N	666.514	6.653	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1cccc2ccccc12	408840854	CIDHGDZFQHPBOQ-BBUXEPKYSA-N	633.173	9.102	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408846489	SPBZJLWAMMHVEX-DPWJMMOYSA-N	713.330	7.611	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1F	408851696	MQYLLFBFYXCENJ-NVJOKUIPSA-N	576.216	6.448	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc([N+](=O)[O-])c1	408867787	NRCMSPPFUMWCSD-YBFXNURJSA-N	511.456	6.137	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Br)cc1	408875503	JJPOYJORSWJFJE-RQZCQDPDSA-N	657.224	7.206	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1I	408878992	DPMVCEZXJOHFMJ-VZUCSPMQSA-N	623.572	5.402	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1ccc(OC)cc1	408882114	PYUOTWNRIZTMCA-WOJGMQOQSA-N	596.390	5.538	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408883776	UVNCNLIUSIXLCV-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Cc1ccccc1Br	408885360	ZXCCIGGPOOEFBR-LICLKQGHSA-N	516.222	6.901	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1Br	408885470	AKWWKIHCBZKNJU-WOJGMQOQSA-N	590.699	7.388	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408890672	XLAQLEKWLNUJCW-LICLKQGHSA-N	580.198	7.355	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc(I)c1	408891386	PVMACUVPKIIXSP-LDADJPATSA-N	514.750	6.069	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)S(=O)(=O)c1ccccc1	408893367	MQEZAUNSKMNOFE-MUFRIFMGSA-N	556.475	5.142	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c(Br)c1	408898845	XXQJJUOSENALTO-LICLKQGHSA-N	639.569	8.061	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	408923933	IHKZNNQRUCLBOX-MWBNBJEGSA-N	596.030	7.011	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924194	LXXOIVIPYKNJJF-LICLKQGHSA-N	697.789	6.454	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	408938874	AKHZJXVRSJFNDV-SSEXGKCCSA-N	637.158	5.203	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408948399	FZNWHOAZQJHCAQ-JAIQZWGSSA-N	616.286	6.924	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c(OC)c1	408955516	OUABBXPRUFJIBT-LUZLDADYSA-N	657.123	5.801	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c(OC)c1	408956647	RKXAEWHIFVJZLD-VVYBVRPNSA-N	675.953	5.955	50	40	KKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)oc12	408969883	WGVVUJPOVJEEEE-KVSWJAHQSA-N	548.220	6.854	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	408971533	HVWLAQOBLFLDDA-JNPURSGTSA-N	529.808	5.004	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1	408984673	SKXFNPLYUNHJTC-MFOYZWKCSA-N	534.212	7.328	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409001483	IRDBMJCKJIBVIQ-NLLYSOFASA-N	776.491	6.900	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008268	UWMNTDGLVWNHOL-FZKWRIDDSA-N	538.648	5.339	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1cccc2ccccc12	409039739	RYJXZVQSVYHLKA-BBUXEPKYSA-N	724.624	9.053	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2Cl)c1C	409047688	PUMYISPECAYKCE-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409058148	RSKWPCNFQZMSOD-YBFXNURJSA-N	534.956	5.519	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1	409078786	JJUBCJYILXFQPP-RIYZIHGNSA-N	532.818	6.513	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2cccc(Cl)c2)cc1	409115507	JJZBYUYLZLLVMT-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)cc1)S(C)(=O)=O	409134363	OINXHSVZZYFOPA-TWKHWXDSSA-N	513.619	5.517	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409138685	GNCTZPFKDIFZOC-OAQYLSRUSA-N	520.210	6.150	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409139978	PKFFOMRAQUKACS-VWLOTQADSA-N	600.941	6.073	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409223950	JLUCMXOXOGIPCF-UDWIEESQSA-N	538.431	6.572	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409226676	QVRDOGJBWGOSJO-UHFFFAOYSA-N	665.294	6.176	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	409227728	VTBDYURCYOOGEA-VIEDFXLDSA-N	564.016	5.375	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2I)cc1	409230945	AFBMFUGZFYZJFX-WQFTWXBESA-N	648.282	6.568	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409234072	YPFKYWWBKOXMSZ-MNDYBZJGSA-N	501.385	6.141	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409245528	VGINUAIYCIWMHU-XKZIYDEJSA-N	584.425	8.544	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)cc1	409259269	XWSPLDLAZQMVJR-BKUYFWCQSA-N	562.420	5.416	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1OC	409310825	CAMJNEFIAFVFMK-FDVSRXAVSA-N	588.296	6.436	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)ccc1OC	409312677	GJRHHBFIUUNVJA-CPDSRJINSA-N	651.885	5.450	50	40	KKGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3Cl)=C2C#N)cc1Cl	409321618	GYELZGXWJSOVBZ-CYBMUJFWSA-N	541.254	5.475	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)ccc1OCc1ccccc1	409326151	HLEIAOKHXSXXIX-YKQZZPSBSA-N	556.531	6.037	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1OCC	409328064	YNYYPQDBODQYFM-MNDYBZJGSA-N	533.839	6.953	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409364535	QBECYEJHIQCKGX-YBEGLDIGSA-N	539.317	5.060	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)SCCS1	409366327	UISMHTYHSLAVEA-KIBLKLHPSA-N	707.224	6.818	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCc1cccc2ccccc12	409367561	AKKXRNJWHDITAN-XKZIYDEJSA-N	596.262	7.859	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCc1cccc2ccccc12	409367818	LUWLZGBKDDJRCO-UCQKPKSFSA-N	610.289	8.249	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3cc2OC)cc1Br	409371904	BLLLCRCXCYBFCD-MXAYSNPKSA-N	518.205	5.702	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OCC	409386297	PHRAPMGJDZKFTB-FSJBWODESA-N	551.362	5.142	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)[nH]c12	409395252	LNXJXJLVVKLCGI-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)cc1OCC	409395283	LXSJFAGNGDETJB-UHFFFAOYSA-N	676.567	8.531	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cc(Cl)ccc4OC)c(OC)c3)c(-c3ccccc3Cl)c2c1	409398658	VAMQUBMLKAYRIU-UHFFFAOYSA-N	618.473	7.151	50	40	KKGB	
CC(=O)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409399897	AEQFFMUGYVZZAA-FDVSRXAVSA-N	550.409	5.718	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409400124	BNIOACJSLIJNKX-MWLSYYOVSA-N	536.426	6.191	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)o2)cc1	409400158	BSKJYJHVRDUNIG-CLHYIUPASA-N	591.111	7.995	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409406200	WEYQPSKMWOVXEP-PQKVGRGHSA-N	647.728	7.434	50	40	KKGB	
CO[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	2049251882	DFPLCHVNJPFGLA-MQLLRXRXSA-N	606.744	6.014	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OCC)nnc2-c2ccc(Cl)cc2)cc1	1824480	ACJYVBTUVPYBNV-STBIYBPSSA-N	536.057	5.628	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1	2097072	RQEGTLLNRQJDEV-HRXXRIAWSA-N	569.916	5.926	50	40	KKGB	
Cc1ccc(C(=O)[C@H](Br)[C@@H](Br)c2cc(Br)cc3c2OCOC3)c(O)c1	2344862	KYINFNHUCDGKGC-JKSUJKDBSA-N	535.026	5.412	50	40	KKGB	
C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(=O)OCC)c1C	2351921	VPRKZHDAICBEPL-VBKFSLOCSA-N	524.580	5.584	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)nc3sc4c(c3c2=O)CCCC4)cc1	2604475	DMCVHUPSUVXCFL-WCMJOSRZSA-N	554.697	5.736	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1	3089512	HUKYVRZWVXKQGB-FMFFXOCNSA-N	576.118	6.388	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)c1	8426423	NTPUPWQYOJHBNU-XZCYHHARSA-N	526.958	6.450	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1ccccc1Cl	8811155	CWGWQZMUCPETGK-CCVNUDIWSA-N	503.382	5.752	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2C#N)OC(N)=C(C#N)[C@]12C(=O)Nc1ccccc12	33354861	UWEJVABXYSJIBW-XIFFEERXSA-N	635.702	6.011	50	40	KKGB	
CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C(/CNC(=O)c2ccccc2F)c2ccccc2)C1	59211879	ATCWOVOMABUULK-TXBHVNISSA-N	522.665	5.065	50	40	KKGB	
C/C(=N\NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccc(NC(=O)c2ccc(Cl)s2)c1	97965741	MOKUSAGJQVMHRJ-MUFRIFMGSA-N	579.531	5.248	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999785	JFHBFILFDVXYTL-HKBQPEDESA-N	616.139	6.725	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21	98045551	ZMPZOMGQYOOGSG-UHFFFAOYSA-N	506.529	7.483	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C1=NNC(c2ccccc2)(c2ccccc2)C1	100024060	UDOFSWDURCFYLN-UZWMFBFFSA-N	567.443	5.412	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	100042854	LCGLSHUXPGLQNX-VTNSRFBWSA-N	607.457	5.549	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	100129503	CEHHMOTZEDYSLY-YKQZZPSBSA-N	579.520	5.198	50	40	KKGB	
O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)[C@@H]1CC1(c1ccccc1)c1ccccc1	100391622	ATQMIXZHNZFZLG-ARVBUAANSA-N	540.450	6.367	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	102808118	WLUINVMKHNVPKQ-HHHXNRCGSA-N	563.510	7.008	50	40	KKGB	
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1Cl	103132861	YTNRXVACOAKLEC-MTJSOVHGSA-N	548.049	5.729	50	40	KKGB	
C[C@H](CCC(=O)N/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118916517	IDKDEJKAOLGAAX-PCYRSKNSSA-N	604.619	6.173	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@@]43C)[C@@H]1CCC2=O	118933857	XMEZZNCIZQQXCV-CFULDXFISA-N	546.579	6.957	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Br)cc1	150368509	ZJGYJGSWEWVCCJ-UHBFCERESA-N	629.920	5.175	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	150385649	PTPYVAQYOUVMJW-OCSSWDANSA-N	644.389	5.965	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	408538996	DEJHUUADNMITTL-QMRORBIVSA-N	568.979	7.289	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408541447	ZOIILMYEEMPVTF-PTZDRTPLSA-N	681.185	8.257	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408544005	UHKLIKBJAWMZES-CFRMEGHHSA-N	514.375	6.952	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(C(=O)OCC)c1C	408545993	BQZRPEOGCCWTFY-FYJGNVAPSA-N	623.558	7.747	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550396	GWTSZDHWARDKQY-RQZCQDPDSA-N	736.329	6.741	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408568487	JSCWXZDOANYUCY-WCMJOSRZSA-N	644.613	6.181	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408585859	JLHDVZWUDLHXAX-NVMNQCDNSA-N	595.220	7.548	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408615345	PEXVYNVHHNCNCJ-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(F)cc1	408649893	LSRGMXBAKHMHSA-IGQFXSRTSA-N	647.122	5.151	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1	408656510	SSUSCBMGZRIHTQ-BZDUYGCESA-N	663.577	5.665	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408710859	QECOOBZMKQQOMW-XKJRVUDJSA-N	631.148	7.269	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1Cc1ccccc1Cl	408712034	WTCRYGWFRUEZKB-MZJWZYIUSA-N	527.793	6.020	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(O)c(I)c2)cc1Cl	408735308	QDYCKMPEKQCVQJ-NYYWCZLTSA-N	564.548	5.109	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc2c(c1)OCO2	408747104	ZOZLFTRBGJGSFQ-IUXPMGMMSA-N	588.785	5.807	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1	408762286	AMFDCNJDITUSAG-KKMKTNMSSA-N	551.224	5.546	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2cccc(Br)c2)cc1	408769683	ZDACFKJUMRRHAK-UHFFFAOYSA-N	562.574	6.730	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789015	HEVWJAMJFCUMCS-LFVJCYFKSA-N	604.419	7.134	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1	408793701	GGEHOPPHVPRQAI-XDHOZWIPSA-N	536.338	5.269	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)c1	408794063	HSMNQZZNIFCOMC-VXLYETTFSA-N	621.700	7.449	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408796820	QBVLBUROZYIDEJ-MFKUBSTISA-N	569.013	6.750	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(Cl)cc1Cl	408817643	YCNAYTHTDBHDAR-PXNMLYILSA-N	597.211	6.870	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccccn34)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408829792	QDRIVYQUHINPEN-LJUMEUDFSA-N	576.078	5.353	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc(Br)cc1	408834619	VOCCYTCYGQQIQU-MFKUBSTISA-N	709.378	8.074	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1	408838051	QWSNSPWKTWCMET-ODNPBWNPSA-N	702.613	6.343	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	408845566	YEMJNVXHGJYQJH-HNSNBQBZSA-N	593.149	6.109	50	40	KKGB	
Cc1c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408850712	CVDMQDGQIALPIU-YNFMAFFXSA-N	555.259	7.577	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	408861319	BYWVIQMPENVLBC-RUMWWMSVSA-N	557.672	5.318	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c2cc(Cl)cc(Cl)c2)cc1	408864163	UEMHKTGVHFPCFS-DPNNOFEESA-N	631.582	5.475	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1ccc(Cl)cc1Cl	408866430	FUGMBODHHKTJQU-PZLHMGLGSA-N	645.340	6.723	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c(OC)c1	408870504	SRFNLHGTHLZABW-DJKKODMXSA-N	725.277	5.624	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408880693	GUYGYIUMAUGYAF-CIAFOILYSA-N	554.403	6.582	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408882017	OSAFNTMDJKHOPZ-YBFXNURJSA-N	530.249	7.443	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(Cl)cc1Cl	408887569	RUHDWDQWTLPFOS-RQZCQDPDSA-N	579.221	6.731	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12	408890902	IFQZABZYVXCUAW-WKULSOCRSA-N	576.497	6.674	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1	408892974	DPPZRYFAWPMVMO-UVHMKAGCSA-N	562.258	5.880	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408894357	HRLHNTWNPLJUTK-RPPGKUMJSA-N	587.477	5.797	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1	408910101	JEDOWOQMQOQCHD-FMFFXOCNSA-N	558.034	5.142	50	40	KKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1C	408913167	SXSSMUFMAQBLNL-UHFFFAOYSA-N	503.002	5.926	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	408947509	NTWZWIALKZCJEJ-HKBQPEDESA-N	860.512	6.513	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Br)c2)c(OC)c1	408955714	OZPBAZAHYYRTHK-UIGQDENISA-N	699.986	5.719	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1cccc2ccccc12	408960307	DOCJBCRYKVLXGF-WCMJOSRZSA-N	543.963	6.889	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408965744	IGTJWXLELDTBSO-UVHMKAGCSA-N	547.291	6.386	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	408968672	AWIWQHRIEJUCOY-GMYUFSHDSA-N	659.825	7.981	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccccc1C	409014268	IEBDSJJALPDUPR-ACXHZZMFSA-N	513.516	5.123	50	40	KKGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409021025	WZDTZWZQEBWMNF-RPPGKUMJSA-N	577.216	6.504	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078912	JCLVGAPPDKVDKF-CPNJWEJPSA-N	523.467	6.689	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1nc2ccccc2[nH]1	409085216	YYVZQBZOOGNAOY-NTEUORMPSA-N	506.272	5.998	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409121131	WGVKXDOTIFCGFK-KVAAJVFYSA-N	700.557	5.582	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	409164692	MEYWSDWJPVQVQA-WKULSOCRSA-N	502.373	5.971	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	409183364	BMWZQLUYSLPENE-KCSSXMTESA-N	687.410	6.145	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(O[C@H](C)CC)c(OCC)c3)cc2c1	409187988	WENFMROLGMKFSQ-ZASWBZMTSA-N	503.393	5.934	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409204137	BZFWDICEAKILCK-ZDLGFXPLSA-N	548.220	7.706	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccc(Br)cc1	409221907	BPTDWPCGOYULPJ-UHFFFAOYSA-N	620.887	6.737	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1F	409228999	IHSBUKXXATUWBK-WCEBZYJUSA-N	509.375	5.960	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409232793	PZKHTDOHCGBVIX-MTJSOVHGSA-N	529.851	6.890	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409233924	IOIWSDIDLXBXTQ-ITYLOYPMSA-N	511.578	5.567	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1cccc(C)c1	409236828	GCTWNCLDWXMCGG-XYGWBWBKSA-N	533.466	6.391	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1C	409249890	JFMZNQVQQBBANU-DEDYPNTBSA-N	581.410	5.562	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409251248	PALRZZPVQMSXEP-PPDIBHTLSA-N	595.675	5.655	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409258993	YSFGZWAXBUFXHM-VHFSBPNMSA-N	684.616	7.723	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409265706	OAOSRGKLYQONDK-XKZIYDEJSA-N	609.464	6.178	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl	409271749	MQKXAIQHZOCZBN-ODLFYWEKSA-N	538.829	6.283	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409311762	HTNUOZWDHWPXHX-MNBJERMJSA-N	565.047	5.768	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OCc1ccccc1	409313435	PXDXGFDITHFWMA-HMAPJEAMSA-N	517.366	7.096	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)ccc1OC	409326958	PAVYZCCFTCCOGY-FDVSRXAVSA-N	500.954	5.628	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	409348907	QUFLLTAXDOMLNF-LGJNPRDNSA-N	517.221	5.353	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409362516	HDUPNEIYNFBSQU-GZTJUZNOSA-N	528.367	6.094	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409392509	PUWZBZVFZHYOCP-WKULSOCRSA-N	533.382	5.652	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)[nH]c2c1	409393419	XCTDAIZEYGZAAF-GRSHGNNSSA-N	551.384	6.136	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)cc1OCC	409394535	BUPAWKPZJIYGKZ-UHFFFAOYSA-N	728.949	9.050	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4cc(Cl)cc(Cl)c4c3-c3ccccc3)cc2OC)cc1OCC	409397285	IHZOSVQGKMVFIQ-UHFFFAOYSA-N	646.527	7.931	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(C#N)cccc2c1-c1ccccc1Cl	409398327	SNPVMBCQPKWZJO-UHFFFAOYSA-N	583.431	7.005	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409398924	WNHPERWVWAHKAX-UHFFFAOYSA-N	620.027	8.116	50	40	KKGB	
CCOC(=O)COc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1[N+](=O)[O-]	409405923	VJDLQYOOSIGSOY-BVMLUPFRSA-N	595.008	5.534	50	40	KKGB	
N#CC1=C(N)Oc2cc(OC(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)ccc2[C@H]1c1c(F)cccc1Cl	606422507	ZWMVMKSVRGPVIV-HHHXNRCGSA-N	561.396	7.149	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(C)cc2)c(OC)c1	1529547885	QWWCQAVYDGXTLP-KZMIEDSXSA-N	728.609	5.072	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	1529548026	WBEFNUXIVWQCHQ-XINRNAFCSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccco1	1255530	UBKQDWDNXRPGBY-QHCPKHFHSA-N	553.562	6.067	50	40	KKGB	
Cc1ccc(SCc2n[nH]c3c2[C@]2(C(=O)N(Cc4ccc(Cl)cc4)c4ccccc42)C(C#N)=C(N)O3)cc1	1273520	ATXBXLLXUCZMPW-GDLZYMKVSA-N	540.048	5.583	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(F)c2)=C(C#N)[C@H]1c1ccccc1	1438180	VIZXJQWZTADNPV-HHHXNRCGSA-N	528.609	5.541	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3sccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1831207	NOXASWOOZIFIJQ-LQKURTRISA-N	519.696	5.853	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1ccc(O)cc1	2738664	FHLCEZLQGRFZPS-NJLKOBJSSA-N	522.634	5.369	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)COc2ccc(C)c(C)c2)c1	3116119	JXBXSZNHZBQPQN-XODNFHPESA-N	574.269	5.885	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccco1	3206672	HIZDKUFJJHVEGI-PGGKNCGUSA-N	561.013	6.095	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OC	4290282	MHWNWIJOKILUDV-HOFJZWJUSA-N	518.566	5.255	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1cccs1	13893093	GXGOTCPHWJDYHK-AFUMVMLFSA-N	502.452	5.935	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCc1c(Cl)cccc1Cl	13921406	FEAVMYLEPZYHCB-XODNFHPESA-N	504.345	5.199	50	40	KKGB	
COc1ccc(/C=N\NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1CSc1nc2ccccc2o1	33636573	PMRBQJBBNGNZCL-OHQNOLEQSA-N	504.439	6.170	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Br	33921983	IYRFTBFWIPQFBG-ZIAAVIHZSA-N	508.254	5.772	50	40	KKGB	
CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1Cl	38650366	FALLLOXLUQOUFO-QHCPKHFHSA-N	511.361	5.838	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	59117490	BKSWPEHCVOJJDO-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
COc1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)NNC(=O)c2cccs2)cc1	97979052	DTCSGPTWUPPMPT-RILMWAFASA-N	541.629	5.046	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1cccc(Br)c1	100120583	OUKWJHVXDLGKSD-OKCVXOCRSA-N	552.925	7.566	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1	100853937	QNYVHXWJTDPGQR-UXHLAJHPSA-N	535.073	5.794	50	40	KKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1OC	100877158	DPWVTXYEYIZKLS-RCCKNPSSSA-N	553.080	7.368	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3cc(OC)c(OC)c(OC)c3)C3=C(CC(C)(C)CC3=O)N2)cc1	102808191	NRTAASULFWLHJG-SANMLTNESA-N	548.661	5.402	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3cccc(C)c3)=C(C)N2)c(OC)c1	102808197	FQTITDNDLIDBPH-MHZLTWQESA-N	544.633	5.312	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	102810067	IMHMLNIXEBICIY-RUZDIDTESA-N	568.646	6.782	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccc(-n5c(C)ccc5C)cc4)c3C)sc3c2CCCC3)cc1	103875304	ULKNOFTWCCAEQU-FDALDRLYSA-N	603.792	7.767	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1)S(=O)(=O)c1ccccc1	104705779	RYOBDBZOVIIYCT-UHFFFAOYSA-N	559.047	5.130	50	40	KKGB	
FC(F)(F)C[C@H](I)CCCCCCCCC[C@@H](I)CC(F)(F)F	169795379	WMSZRDCVZZZJBO-CHWSQXEVSA-N	572.153	8.009	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1	408536825	BGUCUTPCYOJURC-LFVJCYFKSA-N	587.445	7.300	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	408541008	XFCUTTPJAUUOCG-FDVSRXAVSA-N	578.267	7.734	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408542131	HJRBCYXBXRPRKW-GRSHGNNSSA-N	509.312	5.707	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(C(=O)O)cc1	408542788	NWNMXKIIARVLQU-IDUWFGFVSA-N	582.075	7.860	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408551498	DDULDDILDCQYCX-BCHBDCPOSA-N	555.643	6.191	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1cccc(C)c1	408551598	OKAAIBJNXBCCND-WGARJPEWSA-N	545.420	7.795	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccccc1	408568003	HOVIPQZIVGSOIO-MUFRIFMGSA-N	634.561	6.277	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1cccc(C)c1	408570445	VFCIDXHERFJDQZ-WKULSOCRSA-N	587.561	6.353	50	40	KKGB	
O=C(NNc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1	408610915	VBVNNAOHVCFEIC-INIZCTEOSA-N	549.252	5.831	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408641595	CSYQAGLXGHXRAO-BXLRBYEISA-N	533.839	5.262	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408743782	YCWCIMRHIGVGAQ-HNSNBQBZSA-N	615.325	7.806	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1cccc2ccccc12	408747199	KJNANYWPVFKHTN-BKUYFWCQSA-N	592.287	7.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408758033	FWLIVDIDVYSBCD-DEDYPNTBSA-N	602.450	5.620	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1Br	408768109	BTTPWWJDVSFENL-CXUHLZMHSA-N	520.221	6.109	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1C	408787870	HCLNCTRVSPRVKE-VXLYETTFSA-N	577.249	7.340	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408795163	URTPTLGWHVUFGM-YBFXNURJSA-N	621.258	6.899	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1C	408795677	MOJBVDPCNUFLQN-QGMBQPNBSA-N	520.243	8.042	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(F)cc1	408796298	XTJUNACMNFXMJN-GIJQJNRQSA-N	529.793	6.683	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1	408797911	TXWCZWGTPRFBLR-YBFXNURJSA-N	665.709	7.008	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I	408798181	VAPSECORZODGLU-CXUHLZMHSA-N	537.195	5.781	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1	408810592	UFHAFIFVNVUFFM-QGMBQPNBSA-N	501.797	7.089	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408823137	DUNYGUMGSOVFRU-MTDXEUNCSA-N	682.014	9.667	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)Cc2ccccc2)cc1	408827214	ICMDEAGKRVOXNC-NNLKUIAGSA-N	748.283	5.624	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2ccccc2)c1	408829860	QWPNGYFHIDSZHG-JGRMKTMXSA-N	568.699	5.676	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(Br)cc1	408832269	QJXZAHUUNSYWGD-LFVJCYFKSA-N	603.900	7.815	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cccc(Cl)c2)cc1	408838288	UMGVWAYNIIIKEI-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccccc3/C=N/NC(=O)c3ccc(NC(=O)c4sc5cc([N+](=O)[O-])ccc5c4Cl)cc3)sc2c1	408838975	LDTJBABVGVKPCB-ODQASSKESA-N	703.585	8.875	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5cccc6ccccc56)c(Br)c4)cc3)cs2)cc1	408848266	VLAWNSBDUATZBG-OEPDXVHDSA-N	726.494	9.883	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I	408850945	GXUVHOHTIBAAEK-QDTIIGTASA-N	647.210	5.857	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408859497	XJDOGMLFLAHQJO-JAIQZWGSSA-N	524.835	6.973	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(C)c1	408859743	ZHCATXIBDHFHFV-QQXSKIMKSA-N	554.488	6.812	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	408863141	PMAMSUDAAQYQRS-DPNNOFEESA-N	609.079	5.227	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408888570	XHBQKLYJKDDPEQ-LDADJPATSA-N	514.962	5.500	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	408890174	PCRNUWMYTNVOBZ-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccccc1	408946358	MJZMTMCUYYNUBD-HHHXNRCGSA-N	763.452	5.518	50	40	KKGB	
O=C(N/N=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1cc2cc(Br)ccc2o1	408948255	QZCPWFDZOMBKKA-MNDYBZJGSA-N	578.260	7.454	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1C#N	408970157	BTGANWXFLBMRIS-MMPHQUNPSA-N	615.517	6.089	50	40	KKGB	
COc1ccc(COc2ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)cc2)cc1	408979016	KUWQSHYBYJNFEM-IMASQNRCSA-N	557.672	5.143	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408996890	BHEDBTJKTXVDPV-DMNWFQLLSA-N	685.373	5.510	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(OC)c2)c1	409008880	OJOVHMODJUFMHC-JEPNHJGPSA-N	567.686	5.953	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1O)c1cc(-c2ccccc2)nc2ccccc12	409046386	KBDROZONRGJJPG-LGJNPRDNSA-N	572.200	5.738	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1	409049136	UYZUSKMSUCOLKH-LZYBPNLTSA-N	581.091	7.643	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)c1	409063627	CZSGRKIBIMIESK-GZTJUZNOSA-N	576.266	5.833	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409076730	CAZZVQUZAANYNL-VCHYOVAHSA-N	536.928	6.510	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078552	IHMROMSNPPSAAS-VGOFMYFVSA-N	654.295	6.473	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc(Cl)cc4)(c4ccccc43)[C@@H]2C1=O	409149651	MHADHUOGTBHJHC-AUJFUKTPSA-N	621.049	5.152	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)cc2c1	409186583	FBQPLKYQFWPOSL-OHUYPAJKSA-N	542.035	7.235	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(C)cc3)cc2c1	409187835	UVTNHCIYNWLWLI-MBTHVWNTSA-N	507.384	6.245	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cccc2[N+](=O)[O-])cc1OCC	409218252	DUYSCEREZZTZID-FZKWRIDDSA-N	631.041	6.281	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)/C=C/c1ccccc1	409219825	VHTDYCXKTRRJFY-GGZKIVSASA-N	533.584	5.639	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1cccc(F)c1	409221461	QQUOMVZCLVCLTK-WQFTWXBESA-N	570.402	6.192	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409222947	FQTZTSNFRWXSCL-UHFFFAOYSA-N	586.398	5.413	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409225004	LLQYCDCSZVOMFX-YBFXNURJSA-N	649.407	6.580	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)cc1Cl	409256978	NDPPPFITLMXKOI-WOJGMQOQSA-N	524.802	5.974	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409260616	SUKFWNOHUCBBGO-MUXKCCDJSA-N	544.833	5.591	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	409266445	WWYCCIMFZDKDPG-UHFFFAOYSA-N	636.580	6.623	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OCc3cccc(Cl)c3)c2)ccc1OCc1ccccc1	409309170	CMTZXOAPDJVBSC-MNBJERMJSA-N	500.982	6.271	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OCC	409326741	NLVNKRWAUYGNRM-LJUMEUDFSA-N	634.365	7.141	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409361914	DVXKTELZFNAECW-ODQASSKESA-N	664.546	7.790	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1ccccc1F	409372299	VGTFEDSWCMUOGT-SXGWCWSVSA-N	707.062	7.283	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409373879	WNJXNHRPYXZJHA-PPDIBHTLSA-N	567.223	5.945	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCc1ccccc1Cl	409383928	PMJLITDISGHHGX-WOJGMQOQSA-N	604.922	8.189	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(Cl)cc1Cl	409384364	BPKHGERSRSNUID-KKMKTNMSSA-N	530.389	6.468	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409387399	WLNXHOMDVLQWNL-BOPFTXTBSA-N	524.440	6.041	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCc1ccccc1Cl	409390370	CQKYRVYGZYEYFS-ZDLGFXPLSA-N	585.829	6.871	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409394886	HCLYKKPLBOEKGE-UHFFFAOYSA-N	635.345	8.450	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccco1	409395409	NFUFZOOQYBXBRU-UHFFFAOYSA-N	596.359	7.192	50	40	KKGB	
O=C(OC(=O)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl	885164027	DGLKNPYJZVHBEZ-BHQVJMJVSA-N	941.753	10.959	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	1529548390	FIBYNWHWANAHML-CKMXFPERSA-N	696.440	6.764	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc(C)c1C	1805811	WGOLLPNMKKFMTC-NTEUORMPSA-N	522.932	7.020	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	2553726	RJSCHRNBFSMFKA-CIAFOILYSA-N	520.441	7.165	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)ccc1OCc1ccccc1	2698143	SLEHTJPGWOZMHV-HNSNBQBZSA-N	564.671	5.468	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667560	UQDJSIPAMMZHCA-QHCPKHFHSA-N	546.649	5.653	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1	58924808	MAMYISBNMDAGKW-UHFFFAOYSA-N	515.985	5.771	50	40	KKGB	
C=CCc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(OCC)cc3s2)cc1OC	97964264	HCLZEGFZZLWIKX-HAVVHWLPSA-N	555.656	6.436	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(C)cc2)cc1	100242911	WDYBQEQRTTWFPV-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292888	UDJRIEKSKXOMDC-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
CCCCCCCCCCCCOC(=O)c1ccc(Cl)c(NC(=O)[C@@H](Br)C(=O)c2ccc(OC)cc2)c1	100620280	PRWXKCMBJJOJSM-SANMLTNESA-N	594.974	8.011	50	40	KKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1	100879142	LCPULJRGVBTIBO-PXLXIMEGSA-N	542.532	8.326	50	40	KKGB	
COc1ccc(-c2cnc(CN(Cc3ncc(-c4ccc(OC)cc4)o3)C[C@H](CCl)n3nc(C)cc3C)o2)cc1	101162533	PFGUZKOCCDUHGS-DEOSSOPVSA-N	562.070	6.309	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OC(=O)c1ccccc1	102933115	BLEQFWDISGFENE-CXUHLZMHSA-N	601.207	5.893	50	40	KKGB	
CCc1c/c(=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3	103509251	YRULOOKMDOUXLB-DGTWPHMBSA-N	599.753	5.983	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1	103885575	GRDVUNUCMYPXFT-ACAGNQJTSA-N	580.047	5.935	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)cc1	103890597	MWGUHMLJQDXAHE-YVLHZVERSA-N	580.693	7.933	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccccc3)cc2)cc1	104766510	NBOGPPPWPBINAD-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341544	GNYYVPMGMINEEY-GFCCVEGCSA-N	864.303	12.626	50	40	KKGB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	150412416	MWLSNAGOXUCKST-QAOSLPFDSA-N	652.128	8.914	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2I)cc1	150477355	DNCMONIRVPVNSP-CAOOACKPSA-N	699.670	6.891	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)cc1Cl	150477902	VOBCFFZYVMPFEC-KVAAJVFYSA-N	662.979	6.589	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccc(C)cc2)cc1Br	162431204	SZPWYDFEBIOCAY-HNSNBQBZSA-N	665.566	5.129	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1cccc2ccccc12	408534211	VIHFXYMTMMTRTF-KVAAJVFYSA-N	521.539	6.399	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC	408538670	BKYXLHDWRRDGBW-MBTHVWNTSA-N	515.370	6.590	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1Cl	408649542	LEJRHCDAFLOKGT-KPIIRZJKSA-N	663.577	5.665	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408658092	UVFDDKFUCWRLLR-OPYAIIAOSA-N	554.257	5.836	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408674326	ZDXSSUKDJPPMMV-BIKTWNJESA-N	596.404	6.828	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccc(I)cc1	408711656	DDCIQZXLXAIHRQ-DHRITJCHSA-N	612.205	5.247	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408724707	DPJPPVMMJPGJSV-BKUYFWCQSA-N	521.411	6.290	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408742724	BVCZQKIFKJGJJB-ZDLGFXPLSA-N	563.222	7.031	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc2ccccc2c1	408745959	BMFVNJPECHMAKX-QFEZKATASA-N	574.418	6.255	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(I)c1OCc1cccc2ccccc12	408751675	BJFGEBJJVOUDKR-IWIPYMOSSA-N	616.455	7.170	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)Nc1cccc(I)c1	408762940	LZGOGTCNCIOKMU-ONNFQVAWSA-N	547.972	5.067	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(I)c1OCc1ccc(F)cc1	408769095	NRDGRRMMNRJSGX-JCMHNJIXSA-N	613.471	6.800	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408784453	RGRDPOUUTASULI-HKWRFOASSA-N	545.552	6.086	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	408787827	GUQJPIRFKDTHGB-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	408790732	YADLBWSJMGXSTD-SSDVNMTOSA-N	610.733	8.451	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)cc1	408794802	SYSVGXRXSDFELE-CIAFOILYSA-N	692.291	6.506	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(I)cc1	408796996	QCWZOQUJPPMMRQ-VXLYETTFSA-N	651.726	7.539	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1cccc(F)c1	408798184	VBUIDLJPZHQPJR-CAOOACKPSA-N	515.766	6.375	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1cccc(Cl)c1	408800140	LAKVQJRTHBQJMH-VCHYOVAHSA-N	574.802	6.174	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccccc1F	408806169	AYYPSIIZTOPMDZ-SXGWCWSVSA-N	642.181	6.299	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)cc1	408817007	KLQGQOPUJHXSHU-NHDPSOOVSA-N	617.281	6.173	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1c(C)ccc2ccccc12	408821181	DGKAQHKRTCLNHI-ZTKZIYFRSA-N	603.118	8.904	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408828737	LZSVMWGKUFJXIS-BUVRLJJBSA-N	607.921	8.749	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408830546	GEUKSARRMDTHGB-BUVRLJJBSA-N	652.372	8.858	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	408833162	VYZNWEOCQDXWEY-IZYHBKOJSA-N	675.085	5.731	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408835540	NRFVOYXDOYIOTR-MTDXEUNCSA-N	667.987	9.358	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408835618	OODFAFVWLQDAOG-KCSSXMTESA-N	596.105	5.343	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1	408840105	XOUARJCHQQARDL-LGJNPRDNSA-N	508.943	5.488	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408841808	HSJUYUCEQCCBLJ-KBVAKVRCSA-N	545.064	6.690	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1	408842275	JVXQKHCMMCVGGR-AMVVHIIESA-N	555.538	6.086	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)Cc1ccccc1	408847365	VIAVDQJKWVZJQP-QNKGDIEWSA-N	535.600	5.558	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCC(=O)Nc1ccccc1Cl	408847722	OJQXNKUWTFLFLQ-KLPHOBTLSA-N	650.928	5.877	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4ccc(Cl)cc4)c3C)sc3c2CCCC3)cc1	408854682	BHILVNAPVJZGAD-KYHGBAKBSA-N	560.123	7.404	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408854973	LJZXZHWWWFFWDO-PQKVGRGHSA-N	787.439	9.158	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccccc1Cl	408857069	MQSHCDWGZCBOAD-YBFXNURJSA-N	604.726	7.697	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2cc(Cl)ccc2C)cc1	408862167	FXMBHLZMOMCKFP-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OC	408880488	KEPWMUYLEWTKIW-KPKJPENVSA-N	517.150	5.551	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(F)cc1	408881762	OLPIKJLLILRVRW-IIHBXENTSA-N	637.453	7.088	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1	408892034	XOCUHYICGVFQLM-XDHOZWIPSA-N	505.324	5.221	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408898378	KVBAORJVAKUHEX-LUOAPIJWSA-N	609.727	6.828	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1C	408924526	OYVSQQUJWCLQKA-VULFUBBASA-N	559.360	5.249	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F	408934356	CBZANYMBMQHJHC-VFLNYLIXSA-N	544.382	5.353	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1cccc2ccccc12	408941633	DZLIFFBQTZKKNX-WJOKGBTCSA-N	766.512	6.829	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408949125	RZLFVVPUFLNBTD-DBSPGSINSA-N	698.561	7.156	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1	408952119	VLLXDJLKGPPFGX-MHZLTWQESA-N	689.991	5.706	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2Br)cc1	408961702	DLICTFDMGULJCY-KVSWJAHQSA-N	521.289	5.509	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408967169	SXQPJIXVCXLNPQ-WKULSOCRSA-N	591.361	6.442	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408968155	UMMSUTZSPCQRON-OKCVXOCRSA-N	502.502	5.076	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccccc1C#N	408989151	KFEFOUKQZORNSW-QFEZKATASA-N	512.009	6.772	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081249	PFGMSKIQFGSWBX-OVCLIPMQSA-N	657.770	7.608	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2ccccc2)cc1OC	409114202	GITPWHDSNUZLRC-FDAWAROLSA-N	625.545	5.219	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Br)cc1)c1ccc2c(c1)COC2	409138331	ZZVJGMJWDIIXDC-UHFFFAOYSA-N	623.095	5.987	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409145654	JAPHNYDMRXNORF-JOCHJYFZSA-N	548.220	6.267	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409154049	NJOMJWKAXSZDJL-PNQUVVCRSA-N	669.303	5.330	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1	409157918	WUXHXSWHLKKWOG-VVEOGCPPSA-N	650.299	5.164	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	409183633	FCQLQKUPLRDGBU-FDAWAROLSA-N	612.933	6.027	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(I)c3)cc2c1	409187112	MFGFRJIWRSFUMF-DBFSUHOCSA-N	609.247	7.086	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)ccc1I	409187597	SGQZKUMLEIGARB-ZRGSRPPYSA-N	644.101	6.168	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2	409205527	OSNNXRKAKXFSHB-YBFXNURJSA-N	504.373	5.948	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccc(C)cc1	409206231	IONFFJHYWJCHQS-RPPGKUMJSA-N	595.231	5.419	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1ccccc1	409234559	NSASDOCTHJNBEK-WBRURWICSA-N	542.804	6.308	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NC(N)=O	409243832	UXUGYGSEGULZHK-JYOAFUTRSA-N	548.018	5.199	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)n1	409254345	WXXJYBKNDLILGZ-FJEPWZHXSA-N	517.630	5.461	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409266894	YXIQCRRBPRRIQB-WOJGMQOQSA-N	513.903	6.230	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409386737	RSEKKHRHMZDBTC-VFLNYLIXSA-N	570.986	5.782	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(I)c1OCc1ccccc1Cl	409393418	XCKISGPRSGBESG-UVHMKAGCSA-N	580.806	5.400	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)cc1	409396642	ZPOBZIDIHSUPGM-UHFFFAOYSA-N	647.323	7.352	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccccc1Cl	409403937	ORAOSWMIDXSITF-GLJXUZQSSA-N	624.137	8.000	50	40	KKGB	
CC1(C)O[C@@H]2C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)=C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1	575419684	CZIQXKKUWAFYDU-HMVVSKLPSA-N	666.934	8.400	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C	1260390054	MILYVWHUDKCSIS-ACPRAWJDSA-N	924.727	18.718	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	1857795273	ZPKWNQHLTCPFJE-YJBJDYJBSA-N	663.940	7.851	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	1438108	SDOGAEWHQMJCDP-MHZLTWQESA-N	528.703	6.380	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1c(Cl)cccc1Cl	2372710	JLDMJDOIQPYISV-UVHMKAGCSA-N	522.889	6.653	50	40	KKGB	
Cn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1cccc(Cl)c1	2594048	DFTMSVDOKXMZEA-CCVNUDIWSA-N	570.900	5.719	50	40	KKGB	
COc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3)=C(C#N)[C@H]2c2ccccc2)cc1	8407686	LYWSVLALMFFETM-HHHXNRCGSA-N	510.619	5.402	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8450435	SFAPBYVIAPGZNP-XSFVSMFZSA-N	505.962	5.038	50	40	KKGB	
COc1cc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)ccc1O	9273098	SKKIPOYXASHJRM-QRQIAZFYSA-N	522.030	5.243	50	40	KKGB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)cc1Cl	9461549	QHTHGZXZKUIGGT-HAVVHWLPSA-N	529.044	5.682	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\C=C\c1ccccc1	13942414	AFWUVRSIZJSZRI-JMCZHGOQSA-N	508.434	6.149	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c1	18192453	XLCMCGLGYXOXCW-CIAFOILYSA-N	502.368	5.844	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccccc2)cc1	59333111	DWYVQHBNEFHJBW-IADYIPOJSA-N	516.645	5.929	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(F)c1	97960851	AOBLBOITLRYUEB-IPBVOBEMSA-N	521.173	6.110	50	40	KKGB	
Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)Cc1c(C)n(Cc2ccccc2)c2ccccc12)c1ccccc1	97962623	HUGCSHFHXGVAMP-NFSLGCCLSA-N	553.666	6.309	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3ccccc3Cl)s2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccc(F)cc12	98007275	SNPSTWJAIADDBH-SANMLTNESA-N	565.055	5.034	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	98048499	RRDSTZKQZBPRRM-MUUNZHRXSA-N	540.689	6.528	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc(C(C)(C)C)c1O	100073621	WEJCWUJCRILOHC-OKCVXOCRSA-N	570.484	7.001	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	100118370	GINMIYMGWXCPMY-SEBMTOOBSA-N	625.194	7.524	50	40	KKGB	
O=C(N/N=C/c1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12)c1cccc(Br)c1	100392208	YGIKNKZOPACWAJ-FJEPWZHXSA-N	563.860	7.454	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1	100854585	WKDOHWQEFXYCND-CEUNXORHSA-N	528.638	5.773	50	40	KKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)o2)cc1	100878790	RTIYTXURPGCSQL-CJLVFECKSA-N	546.048	7.150	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100991298	ZLSQOXLCMFPOJH-NLTRVXJZSA-N	532.463	6.131	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1	101178620	TUQHYVJCHJXINH-BDPHVXEFSA-N	587.326	6.499	50	40	KKGB	
CCN(CC)C(=O)/C(NC(=O)c1ccccc1)=C(\Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102947065	LHPREOOKQOPLNE-FLWNBWAVSA-O	542.039	5.687	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br	103889414	CDDOORQNNVRSQS-SDQBBNPISA-N	577.056	6.006	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	103898956	GQQUXDWHVCHCSW-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(C#N)cc1	104402228	MAQJOUFEKISNKA-CCVNUDIWSA-N	557.242	5.825	50	40	KKGB	
CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341377	QDCHVWHUMIKQMU-VIFPVBQESA-N	772.215	10.821	50	40	KKGB	
CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341766	XPKHPHPXLKGAHF-QGZVFWFLSA-N	634.396	10.765	50	40	KKGB	
CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCCCC	150382824	KJUBEGIFERPZLX-PZZFPNHESA-N	792.907	12.827	50	40	KKGB	
N#C/C(C(=O)NCCNC(=O)[C@H](C#N)C[C@@H]1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1	150449351	VVUXDMIIZAYDGC-REXXWLMPSA-N	809.801	6.899	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(C)cc2)cc1Br	150462936	NGBSDGZIGBIQPW-DPNNOFEESA-N	637.600	6.136	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	162476106	FJSLARLWHKVAKZ-MWBNBJEGSA-N	685.040	6.961	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(C)(=O)=O	162481215	XUDUZBSWDLZSIZ-PNQUVVCRSA-N	679.804	5.922	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccccc1	408540836	CATXTVMQCANFKM-GRSHGNNSSA-N	507.340	5.281	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c(C(=O)OCC)c1C	408545990	BPTDHWCPNZLMPL-VFCFBJKWSA-N	673.747	8.162	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccccc1	408554665	SPPQNUSYDMLMSN-UDWIEESQSA-N	562.489	6.784	50	40	KKGB	
Cc1c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc2n1Cc1ccccc1Cl	408567977	HIQRZNMZCZNDGW-OKCVXOCRSA-N	536.122	6.659	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408604362	IHVJLLXBEJFHJP-SFHVURJKSA-N	532.855	6.284	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408609190	JPZXZMSSSVMAKH-LGXUHMPSSA-N	545.261	5.098	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408640148	HMJZKKNRWBZRAU-WTGUMLROSA-N	727.189	5.968	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccc(C)cc1	408676359	HPWLWEPBGLKORG-STBIYBPSSA-N	522.443	5.709	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	408711938	RMAKLXAKDILOBU-DICXZTSXSA-N	546.259	5.882	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408746638	UNQRHEOVSKXMQP-NDENLUEZSA-N	552.255	8.034	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	408756411	RSPXVDNAQGSKKR-YBFXNURJSA-N	631.151	8.796	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)c1C	408766729	FOULHMOZYPCJNH-MWLSYYOVSA-N	503.690	7.724	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408774320	UTKOJZFIISUWKC-MWAVMZGNSA-N	526.102	5.990	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1cccc(F)c1	408794595	SQESZMMBHXJNIZ-RGVLZGJSSA-N	556.375	6.262	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c1	408799413	ZENOKMBAGMFULL-DJKKODMXSA-N	632.252	6.703	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408817635	WRSFJVYBJTVVFC-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	408833277	XJKCKFDLFVRKAW-WKULSOCRSA-N	564.491	5.196	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)ccc3C)o2)Cc2ccc(Cl)cc2Cl)cc1	408834590	VNIRJDCOIAWGKM-UHIZKJEFSA-N	647.968	6.337	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408834725	VUUJEUGTBFIAJL-OEAKJJBVSA-N	618.871	7.714	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1cccc(Cl)c1	408836442	REWOEQAEQSOXHL-YDZHTSKRSA-N	593.894	8.359	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2cccc(C(F)(F)F)c2)cc1	408837743	MRCIMUHGKXIJRG-IZYHBKOJSA-N	642.631	5.516	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408837950	PTGMYLXZPHOHLN-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1	408843437	FOMWQXSNUKHVJP-VQNDASPWSA-N	516.645	7.023	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408846545	KKUKMZFXBNJOME-UHBFCERESA-N	578.419	6.574	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408846924	RVGHYUATKUCMMA-XODNFHPESA-N	571.884	6.751	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	408849402	YHHGGYPZCOMCQJ-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc2c(c1)OCO2	408851297	AYYAGJOOXRJYFN-PPDIBHTLSA-N	523.339	5.276	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408862624	KUWHLQYRYRWJCB-VTNSRFBWSA-N	687.956	5.944	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408888236	UGMVUCQRALUSPQ-OQLLNIDSSA-N	516.724	6.320	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	408893319	DVILBAOFHICNDC-AFUMVMLFSA-N	537.819	5.033	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1cccc(Cl)c1	408894974	LHYXXQCOWWENLS-WOJGMQOQSA-N	544.776	6.078	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c1OCc1ccc(Br)cc1	408926193	VXDOHGRKSABNFD-LGJNPRDNSA-N	526.412	5.420	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2C#N)c(I)c1	408982424	GXXKKEZMWJXYLC-JAIQZWGSSA-N	553.787	6.249	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1cccc2ccccc12	408993733	XGUUJIOCNWLCGJ-HEZBAJEJSA-N	591.668	5.528	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	409025863	YYNRMBJKDKNTJH-XDHOZWIPSA-N	556.254	6.735	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409032265	BYHFOTIMSYGVHM-DLCNMLRHSA-N	605.319	8.314	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc2c(c1)OCO2	409041842	VWLZNYKNONQTMI-AEUUOICLSA-N	580.040	7.026	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OC(C)C	409043945	FZJJILCYJKPEAG-MUFRIFMGSA-N	518.411	6.224	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OCC(=O)Nc1ccccc1	409044490	VKIBIOUEGHJDFJ-GZTJUZNOSA-N	551.340	5.523	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cc([N+](=O)[O-])ccc1O	409048226	RTKXHZQFJZGRKR-KIBLKLHPSA-N	722.071	5.615	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(F)cc1	409133866	QUSXRXOPUNLXER-AREMUKBSSA-N	645.513	5.791	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c2cccc(Cl)c2)cc1	409145084	PFILFSZUMINOJG-QXUDOOCXSA-N	625.534	5.990	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)cc1	409155989	JSPXJWNZVWIFDF-VWJSQJICSA-N	713.356	5.892	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C	409159708	WKVWXBUTUOAIHU-VVEOGCPPSA-N	601.885	5.143	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1	409167661	JMRCWFYVFWRXJS-KLPHOBTLSA-N	674.801	5.078	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)CNc2ccc(C)c(C)c2)nnc1-c1ccccc1	409192056	UBKALJLXECMAJZ-MUFRIFMGSA-N	529.626	5.203	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)c2)c1	409220101	UFGBAWLLQAFAPM-UHFFFAOYSA-N	507.546	5.239	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)c1ccc(C)cc1	409220282	WDJVITAOZYGLGI-UHFFFAOYSA-N	552.543	5.147	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]23)c1	409224100	KGMOBHQAIRSNRQ-ODJKJDCKSA-N	576.052	5.624	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409224169	JIAKJFRTSBOBRL-MHWRWJLKSA-N	605.791	5.655	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	409225116	PARIFXYNKQFYKK-MLYYLAFOSA-N	534.956	5.225	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409227907	XEJSHRSSONEXLJ-UHFFFAOYSA-N	597.624	5.265	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccccc1F	409231366	CKSGVJIWCDNBOG-HMAPJEAMSA-N	523.402	5.832	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	409240981	VYZUYKQSEPIOAV-CTPANLQCSA-N	570.281	6.584	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c1	409257722	PVUNQDOBXZSVRJ-NVJOKUIPSA-N	593.703	6.263	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cc(C)ccc2C)cc1	409257787	QFIBPVNJOOOWRH-ODLFYWEKSA-N	613.306	6.400	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1	409272115	OPUAGYOTKRKINX-RGVLZGJSSA-N	583.280	5.761	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)ccc1OCc1ccccc1	409310522	VMHKKHGPYUKATC-QJOVZPHJSA-N	625.519	7.541	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1OCC	409313447	ORVNKKORZAVHSN-QRQIAZFYSA-N	591.480	5.177	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc2ccccc12	409323957	QHNGQJWQHWKLJH-GRSHGNNSSA-N	588.126	9.315	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC	409324394	TYZRRBOSMGQZKQ-UHBFCERESA-N	538.000	5.012	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409326572	LZDHPAXHSGOLIG-CNCDYAKUSA-N	593.942	6.795	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N	409333069	BQQHGORBYNRLPY-LOQHDVBOSA-N	715.289	5.381	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	409359301	IOMZEJINYGVWPV-WKIKZPBSSA-N	644.678	6.129	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(Cl)cc1	409360380	PLMGSHBRUYUQHR-WQRHYEAKSA-N	503.621	7.508	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409369372	LFAZOFBUHFGQNC-LUOAPIJWSA-N	634.095	6.712	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409381377	TVCKYFHJHWGLNO-NDENLUEZSA-N	509.389	6.561	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1cccc2ccccc12	409385589	LRWYDXGQIZXATQ-FJEPWZHXSA-N	590.455	7.077	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc(OC)c1OC	409394587	CMESLYDACRCYAQ-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)cc1	409395486	OEKQAAXFTUHMKO-UHFFFAOYSA-N	706.778	7.877	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)cc1OCC	409396677	AAXXRTTYXMHPSO-UHFFFAOYSA-N	561.638	6.924	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397276	IGFBTQJOMSVKIM-UHFFFAOYSA-N	625.525	7.864	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397776	NXXXRAFCXYZKPJ-UHFFFAOYSA-N	695.353	8.015	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)cc1	409399173	YDZQVABLBAQUGT-UHFFFAOYSA-N	558.037	7.933	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4F)c(I)c3)o2)cc1	409399910	AFWSCAXDFIBCMW-AEUUOICLSA-N	663.487	7.353	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3cccc(C(=O)O)c3)o2)cc1	409402057	IZFIGSLWNVHGEK-RODHXAHZSA-N	676.951	7.723	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)OC(C)C	409402155	VQNCRHUPOWEFFU-KYHGBAKBSA-N	559.619	5.369	50	40	KKGB	
Cc1cc(N2CCCC2)c(C)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409406737	CHQKEVWUNZRCRA-MZFJOGFUSA-N	510.638	6.247	50	40	KKGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)o2)c1	409409091	MYEHRMCVGLNFFV-FZPRHHONSA-N	572.017	6.730	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)CCC)CC[C@]4(C)[C@@H]3CC[C@@]12C	504113537	ILSFDWKMTIXYBP-LYLDMPFRSA-N	521.295	10.352	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1	1529546618	GFFNGKLYWFBGIG-JYALLGCPSA-N	763.452	5.518	50	40	KKGB	
COc1cc(Br)c([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC	1082009	PGLQIJCDAXDIOU-OWJWWREXSA-N	513.819	6.005	50	40	KKGB	
C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@H](C)C(=O)N/N=C/c1cccc(Br)c1	2743190	QJYQRHDUZQHUAS-IUUQDGFPSA-N	549.498	5.623	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	6074196	ZWUPLBQPQDBPNV-DDFGHHCKSA-N	523.998	6.744	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	8934255	TUWVOJGJMZSGBX-AREMUKBSSA-N	515.660	6.016	50	40	KKGB	
CSc1ccc([C@@H]2C(C#N)=C(N)OC(CSc3nc(C)c(C)c(C)c3C#N)=C2C(=O)OC(C)C)cc1	12372116	OMSNFEXPKRYCLM-HSZRJFAPSA-N	520.680	5.406	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	19855742	AMXBVMRIOWXTJB-ZCTHSVRISA-N	515.679	5.224	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1-c1cc(C(F)(F)F)ccc1Cl	25424636	SSVGJKAKBNQBAK-LICLKQGHSA-N	501.892	6.083	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc([N+](=O)[O-])c1	59336285	JWBAGCBERDUSRN-WQRHYEAKSA-N	512.349	6.425	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2cccc(C)c2)cc1	59437056	TVHHQXPVSSWDQG-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OCC)c2)sc2c1CCCC2	97946734	QVCMQWYBCBGUPA-CJLVFECKSA-N	530.646	6.327	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(=O)N/N=C(\C)c3cccc(C(F)(F)F)c3)cc2)cc1	97981219	LJCYOJRZZRNADT-FADJLKOXSA-N	595.643	6.259	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125295	GKYAJTZFFSJZTB-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	100225240	ZEWVOLRHIIPBCO-KEIPNQJHSA-N	560.610	6.712	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(C(=O)OCC)cc3)=C(C)N2)cc1	102808680	VBHQTEBNIZRQDU-PMERELPUSA-N	598.725	6.505	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1	103885758	SKFMQOAVLGRWOW-AUWJEWJLSA-N	592.602	5.123	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(C)c1	103889876	CIEBKUUTYKSVBL-ZDLGFXPLSA-N	546.248	7.198	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	103900739	GPKPEAMRDBQFEG-FMFFXOCNSA-N	621.115	5.102	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	104402903	KYNKKIAAVTVLBA-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2cccc(Br)c2)cc1	162502792	PWUYTOROIQTDAR-FJEPWZHXSA-N	621.340	6.670	50	40	KKGB	
CC[C@@H]1CCCCN1P(=O)(NC(=O)c1c(C)c(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n2ccccc12)N1CCCC[C@H]1CC	263621434	NDACKXXKOCBNQJ-DNQXCXABSA-N	628.110	7.407	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC	408539833	ZJCPTTQNTZXPPQ-RGEXLXHISA-N	501.421	6.361	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Br)c3)CC2=O)cc1	408601534	BHJVZHAYZFIELR-LJQANCHMSA-N	542.861	5.740	50	40	KKGB	
O=C(NNc1ccccc1OCc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408612188	XWGMIHPKRQMGPV-MRXNPFEDSA-N	549.252	5.831	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408753936	COFSCEQEIAGTTC-WQRHYEAKSA-N	512.201	6.336	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc2ccccc12	408756810	UFSQOHOZIQMELQ-XEOXDSMQSA-N	573.715	5.579	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408791089	TVHMEMCHDDTPBY-FRKPEAEDSA-N	577.218	6.797	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(Br)cc1	408794517	JILSZCRESJDTCO-RGVLZGJSSA-N	570.281	6.962	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1C#N	408794980	UHORRPBTJYVHHW-DJKKODMXSA-N	618.258	6.993	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2I)cc1	408795083	KXLWDUIZBXTNRW-RGVLZGJSSA-N	542.804	6.686	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(Br)cc1	408815934	WBDFBZNLCKSTDQ-ACXHZZMFSA-N	612.318	7.428	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408821525	IMANRCDXFGBWTQ-JRZNSJKLSA-N	753.730	6.670	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)cc2)cc1	408823680	FUEKVNVRPQKSLZ-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408823969	HCNWKQABMUCZGP-ZVHZXABRSA-N	709.924	7.955	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1	408825434	ALJBDEXDZQLSIP-RQXXSLPSSA-N	735.284	5.716	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Cl)c2)c(OC)cc1Cl	408833443	KGWJOIMCKVREDH-KEBDBYFISA-N	511.405	6.752	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1cccc2ccccc12	408835227	NNZYIEZYXLSWFF-ZTKZIYFRSA-N	589.091	8.596	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OCc2ccc([N+](=O)[O-])cc2)c1	408835572	OBHCXQFJNBLQEZ-LFVJCYFKSA-N	614.452	7.070	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccc(F)cc2)cc1	408838419	VWHUINYJTORBMR-ZCTHSVRISA-N	531.609	5.059	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408838453	WLVUHLXZNCOQQW-KCSSXMTESA-N	655.958	5.466	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408841840	HYKJUVAGQPXNML-IURWMYGYSA-N	589.983	6.739	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccccc1F	408846193	RCDZDEUPZVBYNB-XZYGTATASA-N	580.685	7.743	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	408848425	WEGXAOXSUWPPPH-HNSNBQBZSA-N	567.598	5.256	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC#N)c(Br)c2)cc1	408848674	SGAPFERLZZVDOG-LJUMEUDFSA-N	547.840	6.535	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)/C=C/c3ccccc3)cc2)cc1	408848860	WMEGLZHAJIXHON-ZYHSJNFZSA-N	503.558	5.630	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1	408861813	DJGXQVOAGFSQPT-XICOUIIWSA-N	598.124	6.726	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2cccc(Cl)c2)cc1	408862578	HLTZZYCXEDQEGI-LQKURTRISA-N	514.047	5.029	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cccc(Cl)c2C)cc1	408865946	CRXONQWNGQCENV-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408868982	QUPLUXMEJVCBBS-KVQDIILNSA-N	582.726	6.106	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408869571	SPBGELZXMJAOAW-VCHYOVAHSA-N	541.199	6.256	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1Cc1ccccc1Br	408876131	NHSSNXWNNQATEO-CIAFOILYSA-N	568.309	7.364	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408884291	WQBQISCXYVYOLQ-LICLKQGHSA-N	545.806	6.819	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408888569	XGVKMQVWOHNVKG-PXLXIMEGSA-N	555.428	7.074	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Cl)cc1	408893840	GGIVYTPTEUDVJR-JJIBRWJFSA-N	559.043	6.541	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccc(Cl)cc1Cl	408894526	JKUHKDFNKAYOQS-VXLYETTFSA-N	526.376	6.733	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408896104	MWMZUKZJKJQCAJ-RGVLZGJSSA-N	572.830	6.695	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCc1cccc2ccccc12	408896795	SWKFQRKQGARTEN-MUFRIFMGSA-N	519.395	5.962	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OCc1ccccc1Cl	408900415	VOYOBUKRRSRPIR-ALQBTCKLSA-N	551.127	7.311	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(OC)c1	408925645	VHVXUEOAMDAPIZ-LAFJBSAWSA-N	630.101	5.072	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1OCC	408941109	PQVSPYDPOKJACP-OCSSWDANSA-N	578.518	5.522	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408955996	VNSJGPFJXMSJAS-JMIUGGIZSA-N	599.312	7.091	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408963664	IMZYCNQRJOWNEA-RSWNLNBFSA-N	572.489	5.436	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccc(Cl)cc1	408968530	WTELSFSGLXDVRX-VFLNYLIXSA-N	530.781	5.855	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408969854	VPQZXJUDLOAOMN-KJYNGNSNSA-N	722.404	5.387	50	40	KKGB	
C[C@H]1CCCCN1c1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	408974534	BDEDXHDNAKUUCO-CTKXSCGXSA-N	508.579	5.025	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccccc1F	408983126	KSSXXKONKHAAEN-NVMNQCDNSA-N	529.793	6.683	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c1	409002478	NRRLZHBCFXIJCI-KBVAKVRCSA-N	601.413	5.901	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)cc1	409004540	DNBOAWOVFLEYKG-QRBJFKPCSA-N	561.594	5.637	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409007567	XWCHQBGYVFENBH-VRPMHWPLSA-N	678.528	7.848	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409011635	GRCHFQFXZHBIHM-GATKSBMYSA-N	723.525	8.847	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1)c1ccccc1	409026145	HJUBFIWHONWZPI-NGPKSZTASA-N	614.724	5.040	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)Cc2ccc(F)cc2)cc1	409053770	HRQWVHSZNPKSCD-BIZUNTBRSA-N	545.636	5.054	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409070987	PPGXLXGKEZZYDP-LFVJCYFKSA-N	541.560	5.633	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OCc1ccc(C(=O)O)cc1	409071962	QZZGZGIEDJUXAU-YBFXNURJSA-N	566.351	6.172	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)c2C)c1	409114968	FYDLHGNZDBANGY-BIZUNTBRSA-N	542.705	5.750	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)o1	409157835	WNXTXOQZHOFQDG-GUKGJQHYSA-N	531.396	5.765	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	409177018	ASXHCDPXMDZQRQ-LGJNPRDNSA-N	519.770	5.086	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4F)c(OCC)c3)cc2c1	409191010	YIIJDSPFBNOVPQ-MNDYBZJGSA-N	510.949	6.366	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409223140	HEXSIBTXTLIMEY-MJXLXAJKSA-N	610.932	6.502	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409247917	DXJXLBYMZCVYPY-CIAFOILYSA-N	550.409	6.455	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1C	409250478	MEPKKZMXLMAFHK-NVJOKUIPSA-N	593.703	6.263	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc(I)cc1	409251077	ZVXPPGWXKFQIDA-KBKYJPHKSA-N	596.878	5.181	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccccc1Cl	409255212	HKNQRUFEFMEARG-LDADJPATSA-N	543.929	6.321	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)c1C	409257874	RFAAITGSDULHMI-RODHXAHZSA-N	644.584	8.259	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	409320887	CWIITPYGRDBGMO-UVHMKAGCSA-N	566.677	6.145	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)ccc1OCc1ccccc1	409334852	NJJYFHPJEHEHSO-OJYCWLPVSA-N	664.540	7.319	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409336746	UNWYBJUEVUEBHM-UHBFCERESA-N	573.871	6.418	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	409357638	BCPANWHTPXCLLK-WGARJPEWSA-N	516.233	5.792	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1	409387078	NOEBZBTZFKMBAY-OMCISZLKSA-N	584.095	7.158	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)c1	409395035	JBYJSCRDMLFIHG-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409397583	LLNZELJOHSVWEF-UHFFFAOYSA-N	590.894	8.341	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409399054	XPQALTHFPKHMPR-UHFFFAOYSA-N	622.678	5.918	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1O[C@@H](C)CC	409400044	BDAHKDAWFRIVGK-ZBLBMXTLSA-N	608.533	7.369	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)o2)cc1	409406196	WEXZPURDCHXXKC-KWQVAVEISA-N	693.554	8.433	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CCC3)c(OC)c1	708322	CHMIQJFBKCAUKX-QHCPKHFHSA-N	500.624	5.099	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1	1888945	KWOKMBZJLFCMFB-NLTRVXJZSA-N	506.002	5.264	50	40	KKGB	
N#C/C(=C1\SC=C(c2ccc(Br)cc2)N1c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1	3190780	DJCRSHCGVPSXQZ-AZPGRJICSA-N	583.515	6.311	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(OC)c1	8384552	YSCMVKKEGYGMTB-YPLUWGEXSA-N	628.513	5.130	50	40	KKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3cccc(O)c3)c2-c2ccccc2)cc1	9311782	RABGCFUEBAOBJV-HWIUFGAZSA-N	515.569	6.067	50	40	KKGB	
O=C(N/N=C\c1ccc(Oc2ccccc2)cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F	29763388	XILYUBONGSXQDP-AAPHRLRXSA-N	512.406	6.125	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@H](C(=O)c3cccs3)[C@@](O)(C(F)(F)F)N2)c1	33353862	PBXUZQLZGBJTIX-PPJWLVRDSA-N	608.063	5.954	50	40	KKGB	
CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1	38651503	TYKAKGGALMVVFL-RUZDIDTESA-N	519.395	6.065	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Br)cc1	59334718	OIECXIYLAJCIPM-SXGWCWSVSA-N	508.210	5.184	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	59485074	HZVPCNBEPYAEMO-GRSHGNNSSA-N	503.223	7.798	50	40	KKGB	
COc1c(CBr)c(CBr)c(OC)c(CBr)c1CBr	68562449	HBRRNLRZHZIJBQ-UHFFFAOYSA-N	509.858	5.283	50	40	KKGB	
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H]3C[C@H]4[C@@H](CC[C@@H]5C(Cl)(Cl)[C@@H](Cl)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	70664988	ODWXWMUBXIPATR-TYLNXNLQSA-N	502.998	6.738	50	40	KKGB	
CCOc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	97946855	SLYNQRQNJXJYEF-PXLXIMEGSA-N	521.982	5.186	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccccc1	97960777	CMJUSJIEIGEMEZ-YVLHZVERSA-N	685.097	6.783	50	40	KKGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1	97981209	UYQMJKXFFBRIIV-XICOUIIWSA-N	607.107	5.983	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3ccc(Cl)cc3)s2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccc(F)cc12	98007260	USTQHMMDJCHLAT-SANMLTNESA-N	565.055	5.034	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccccc3I)cc2[C@H]1c1cccc(Cl)c1	100035371	PTTVPDUBIHCISW-FBXLXJJESA-N	527.749	5.619	50	40	KKGB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(SSc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3)cc1)[C@H]1C=C[C@H]2C1	100503414	PQVKBTXLXZNAQN-FIWMQIOPSA-N	540.666	5.109	50	40	KKGB	
COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)c1	100851161	DNEJGVGZWAZWJV-WPWMEQJKSA-N	536.455	5.338	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	102718500	ABHBZRUVVVVGAL-HHHXNRCGSA-N	545.064	6.055	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	102718586	TVQNZAIBCALYJG-NDEPHWFRSA-N	559.091	6.445	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccc(Cl)cc1	103754244	HVGRREMRQOYQFV-IPPBACCNSA-N	559.028	6.258	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882944	ZMADBXATQVGENM-NDENLUEZSA-N	605.747	7.244	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	103890073	ZHVOHJSNNXHVDC-SXGWCWSVSA-N	577.218	6.797	50	40	KKGB	
CC[C@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(OC)cc3)s2)cc1	150390720	NQLNPVNPZLZPIF-DQKNBXDWSA-N	666.598	6.226	50	40	KKGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(C)(=O)=O)cc1	162482484	WXNJRJAKOXOUAZ-ZNIRGWDNSA-N	659.386	5.657	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1	216062771	PNUXFCWJNISVRL-RWPZCVJISA-N	578.834	6.085	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1	408539107	SVBHGXVIZALEBZ-ITYLOYPMSA-N	613.508	7.560	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	408539432	HOEGZUWKTWEXML-PCLIKHOPSA-N	526.976	7.479	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552571	QYIWQKHNEQGCAS-YVLHZVERSA-N	544.822	6.609	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Br)cc1	408568752	WTAYASFPKNOUDQ-CCVNUDIWSA-N	560.286	6.109	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1	408599418	UNRYIOWAZZDNLO-GRSHGNNSSA-N	550.223	7.640	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408659651	WFHCZFXHPAAHQU-IMJYCFMASA-N	551.829	5.401	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1I	408676711	MPLPWURNHPWHRA-OKCVXOCRSA-N	676.296	5.711	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408725323	FFQVKCBVPJVYMT-SGWCAAJKSA-N	525.696	5.127	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408726678	UVHNZXKOJCHWFM-JAIQZWGSSA-N	583.382	5.950	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408742941	CTQSDTGCSQWDRS-UNOMPAQXSA-N	556.254	6.735	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408746102	QVJCLZRAOVPIOG-CHHVJCJISA-N	526.634	8.078	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Br)cc1	408746761	GRXLKCIEPKQMJH-ZCTHSVRISA-N	545.433	5.423	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1cccc2ccccc12	408748884	IRRCGXJXHGMWKQ-IBBHUPRXSA-N	572.286	7.651	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408763838	KODDJACXWWYMDR-JFLMPSFJSA-N	584.404	5.051	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408775417	SOUKIUJOJNJHBE-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1OC	408782528	HVVJNFQBVLRTCH-CXUHLZMHSA-N	506.340	5.031	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(I)c2)c1C	408790828	RHCMMFRKEBXOCE-WSDLNYQXSA-N	533.369	5.904	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(F)cc1	408796529	PAVMLRJAGRRJJU-VCHYOVAHSA-N	529.793	6.765	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408798567	VTJHIUVLZGQTTR-GZTJUZNOSA-N	549.195	6.723	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)cc1	408801067	RODCKWNKWFQILQ-VXLYETTFSA-N	602.812	5.864	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408830344	MHFWBOVDCJUGIP-PVMYPNQZSA-N	552.227	6.646	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c2ccc(C)cc2)cc1	408832639	VKJSZPMWIJMCFV-PPOKSSTKSA-N	621.184	6.358	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408833423	KBOULFFAFWNISQ-BUVRLJJBSA-N	648.373	10.157	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(Cl)cc1	408842779	KVEIMALNTRZCFV-FABQOPTDSA-N	583.113	7.867	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OC	408845746	RKVFGKHFMVOOGE-LUOAPIJWSA-N	512.941	5.659	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408860688	BYAPGVMJTPPVTA-XJECJHNESA-N	617.093	6.729	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cccc(Cl)c2C)cc1	408863205	LXFXFBKSPWJOPE-VTNSRFBWSA-N	627.992	6.472	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Cl)c(Br)c1	408871052	VPOHVZPXKTXDNW-VXLYETTFSA-N	500.223	7.201	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408876602	MPKAZBGEDSXLAF-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1Cc1ccccc1Br	408879683	DPIPFVZNJMFMCP-BUVRLJJBSA-N	632.352	7.936	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)c1	408882366	MVZDTIAZUNOWLW-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408883426	VEARISRFKLCYJI-RQZCQDPDSA-N	557.198	6.244	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OC	408885913	GRXARINQYSXKEU-NYYWCZLTSA-N	562.147	5.459	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408887878	UNIMWLMFNWJSQN-VIZOYTHASA-N	537.186	7.333	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	408888591	XOYGJURXOXMEPO-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2Br)cc1	408890291	QXBCBSOPGIAOJM-SFQUDFHCSA-N	515.360	5.210	50	40	KKGB	
N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(I)cc1	408897716	ZMPZYUBUDVSROT-CAPFRKAQSA-N	544.348	6.209	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408905923	BCSYRPDUSWSOQG-RQRWGXNHSA-N	680.532	7.336	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(Br)cc1OCc1ccccc1	408909010	BLJSLHPVJSGUTN-LGJNPRDNSA-N	503.780	5.219	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc(Br)c1OCc1ccccc1F	408922861	GYFVRCIJDKXYHP-UDWIEESQSA-N	552.400	6.070	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(Br)cc1	408964870	ICYILCIDHCCMFD-MZJWZYIUSA-N	538.354	5.845	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cccc(C(F)(F)F)c1	408966013	YPWQNTQRQLUXDP-WXMAUWIXSA-N	625.066	7.880	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OC)c1O	408970018	YRCNQVPNSFWOTN-YGHSGTSHSA-N	570.473	5.081	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCCOCCOc1ccc(C)cc1	408970670	JXHOIFIMMMQJFY-KOEQRZSOSA-N	535.040	5.745	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc1Br	408980681	SGCNTWNOAGRWNM-RUDKWAFVSA-N	553.251	5.104	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5C)cc4s3)c([N+](=O)[O-])c2)cc1Cl	408992431	RWRVIQZGRUOUBN-FYJGNVAPSA-N	640.146	8.424	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	409002037	LRRKORMWLCAIFH-NSEXZMKTSA-N	708.405	6.217	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)COc3cc(Cl)cc(Cl)c3Cl)c2)cc1C	409014400	PLIPMFWOLXXONJ-XKJRVUDJSA-N	534.827	5.810	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCc1ccc(Br)cc1	409015514	RJFIAWTYVTYBGS-PNQUVVCRSA-N	777.045	8.067	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409016574	QJLQIXBBCRAKMM-UQMDAXCXSA-N	640.608	7.068	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)c1cc2cc(Cl)ccc2o1	409019266	QHUYFYDKYQUBLR-PPDIBHTLSA-N	656.645	6.638	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc(Cl)c1Cl	409019826	XQNGSIHRYBAPSF-MXQUDJCASA-N	519.256	5.749	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409070849	HAXKRGVUYFSEAJ-XNTDXEJSSA-N	537.808	5.969	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1	409087514	ZBNARNAUJVVARS-RIYZIHGNSA-N	600.269	7.733	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(Br)cc1OCc1ccc(Cl)cc1Cl	409145809	RTOLUPHLLWQWMT-HXUWFJFHSA-N	536.213	5.593	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409172479	JGGHMULYQMLVDF-MHDJOFBISA-N	585.488	5.300	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)cc1	409174656	WQQNNLYDIOPRQS-XAZZYMPDSA-N	650.313	5.436	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc(OC)c1OC	409220190	ZACLIKAXQZCWOR-WMZRUKEISA-N	659.051	5.909	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(F)cc1	409228495	ZEPOHOHRHZZPEY-WCEBZYJUSA-N	556.375	5.802	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1	409234127	MCCWCFOGWLFREB-AYBNGVQBSA-N	505.412	6.130	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(I)c1)c1ccccc1	409241605	KGQLVTJYHYLUPR-QWQBBLJPSA-N	508.359	5.655	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409245381	RXMHQRDVVLMVQD-APSNUPSMSA-N	692.188	7.178	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3C)c(OCC)c2)ccc1OCc1ccccc1	409250465	LXWVIIYKZAARQB-CLHYIUPASA-N	721.592	7.066	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409250736	NVAFESJZAFVNLH-VLZFXTDASA-N	596.421	5.751	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl	409256299	NHWKBEHXWLXBCA-LFIBNONCSA-N	500.769	6.210	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409318380	VDMRPMZNOLUJGX-NUJZUDFISA-N	637.858	5.142	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1OCC	409323006	ZABIADGNBCAJMF-MUXKCCDJSA-N	621.282	6.260	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)ccc1OCc1ccccc1	409323344	NQIOJBWYMDSNHL-KYHGBAKBSA-N	535.427	6.924	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1OC	409331547	GCFWXNYPBWQFII-NUJZUDFISA-N	608.714	6.781	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(Cl)cc1	409341194	DKKVOHLMKDZGCH-ZDLGFXPLSA-N	597.621	7.192	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1	409372808	KWEQUBDUGUGDJA-ZRGSRPPYSA-N	628.648	5.887	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cccc(F)c1	409393102	OZAYRLWIZZTFRQ-IUXPMGMMSA-N	599.156	6.817	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409394563	CEVNDSRBZZGZBN-UHFFFAOYSA-N	660.912	7.208	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)[nH]c12	409395292	LZOBODIDZCVNKO-UHFFFAOYSA-N	756.245	8.123	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409395572	PETZTJVEQRQNHU-UHFFFAOYSA-N	547.571	5.792	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Br)cc4c3-c3ccccc3Cl)cc2OC)cc1	409397217	HMMYRGAWJUJDBT-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409397287	IIESUPPIVYUKIA-UHFFFAOYSA-N	596.392	8.144	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397548	LCMVGCSIGMKXLK-UHFFFAOYSA-N	583.000	6.778	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397612	LWEYGSCPEYIQMF-UHFFFAOYSA-N	541.991	6.772	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(OC(C)=O)c(OC)c3)[nH]c12	409397913	PKOUWDGKULRTDT-UHFFFAOYSA-N	575.621	6.314	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3C[C@H](Br)[C@@]4(Br)C[C@@H](OC(=O)C[C@@H](C)CC)CC[C@]4(C)[C@@H]3CC[C@@]12C	504649562	VKBCMZKYIQGGGT-YZWKHZHMSA-N	644.617	10.635	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	1529544441	GFXHZQSNYBZRIZ-ZMUBVYRZSA-N	614.555	5.286	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OCC)c1	1529544599	JYFDULWEDUGAHN-SNLSLPLBSA-N	681.609	5.312	50	40	KKGB	
CCOC(=O)c1ccccc1OCc1cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)ccc1OC	1904686	UHUMBUUAJPJNRS-WKULSOCRSA-N	523.010	6.083	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@H]2c1cc(Br)cs1	2187825	JLCIDDAXZUMPIC-IBGZPJMESA-N	556.835	7.124	50	40	KKGB	
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c1	2223048	GMOYVZYYXVKRDL-RUZDIDTESA-N	538.069	5.794	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	4196316	DUSQDOMNTIYUIR-WOJGMQOQSA-N	542.227	6.345	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	6445795	JVOXJBSAUYYKES-RADFVVHLSA-N	549.863	7.638	50	40	KKGB	
CC(C)(C)c1cc(Br)cc(SSc2cc(Br)cc(C(C)(C)C)c2O)c1O	8873326	BWROJUAPHVCKML-UHFFFAOYSA-N	520.352	8.017	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1c(O)ccc2ccccc12	12467771	FIAXUYTXEAHHJB-MYKKPKGFSA-N	501.058	5.585	50	40	KKGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2c(-c3ccccc3)n(C)c3ccccc23)cc1	12643749	OEJRLCVFRKJJEF-HXZCNYIPSA-N	522.649	5.778	50	40	KKGB	
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2c(-c3ccccc3)n(C)c3ccccc23)cc1	12643756	OEJRLCVFRKJJEF-BVPBKWFMSA-N	522.649	5.778	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](OC)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13118484	BKAIZLBGUQUUEI-GBDVJKNASA-N	509.606	5.528	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3/C[C@H]4CC=C[C@H]34)cc2)c(Br)c1	13145037	FPVBOIBRAJSZDR-XGVHZBSESA-N	504.222	5.781	50	40	KKGB	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1	16043643	VZBBAPPRIXJHMV-JPOGYNCRSA-N	511.603	5.539	50	40	KKGB	
ClCCN(CCCl)c1ccc(C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)cc1	19325066	PNPCVRYLEWFFSO-UHFFFAOYSA-N	537.362	7.294	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)c(C)c1	28216917	PVRCMNSFIODQHO-KBVAKVRCSA-N	502.083	7.421	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2cc(C)cc(C)c2)cc1	59437009	KNOBEUFBIQUORM-FDAWAROLSA-N	511.647	5.209	50	40	KKGB	
CCOC(=O)[C@H](Cc1ccc(OCCc2ccc(CC)cn2)cc1)SS[C@@H](Cc1ccc(OCCc2ccc(CC)cn2)cc1)C(=O)OCC	72132685	XXXWCSPZHMJCDV-UWXQCODUSA-N	716.966	7.874	50	40	KKGB	in-vitro
CCOc1cc(/C=N/NC(=O)COc2ccc([C@H](C)CC)cc2)c(Br)c(Br)c1O	97961752	HNALKEXENIEVMN-DDFZXGMKSA-N	528.241	5.359	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)cc(I)c1OCc1cccc2ccccc12	97966035	IFFHULNPOVEGFV-RWPZCVJISA-N	552.368	5.502	50	40	KKGB	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3ccc4c(c3)c3ccccc3n4C)C3=C2CC(C)(C)CC3=O)s1	98007269	MHCOIMQNNCLGPD-VWLOTQADSA-N	554.745	6.624	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(C)cc3)o2)cc1	100211138	XNCVXNWMMKJHLS-ZCTHSVRISA-N	559.644	5.086	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)cc1	100239785	OUJOWHGBSXBLKL-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2-c2ccccc2)c1O	100459565	PZTZWWBBRKITEX-LQKURTRISA-N	548.466	5.373	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(OC)cc3)=C(C)N2)cc1	102809003	JFNBPVDQWYHRQR-HHHXNRCGSA-N	528.634	5.557	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1F	103884042	YINSVMDQDLJDKA-KQWNVCNZSA-N	564.455	5.822	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC	103896335	SVBUTLSFFHLYKX-RWPZCVJISA-N	545.886	6.732	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CBr)CC[C@]4(C)[C@H]3CC[C@@]21C	118926163	ZOLSIZBHXGOWHP-MSPKVBQNSA-N	507.597	8.335	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCc1cccc2ccccc12	150427582	FLVHSXXSGUGAHU-LJUMEUDFSA-N	643.319	6.877	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc2ccccc12	408529883	KKMZYUMUVVDPHG-QNVXDBMFSA-N	600.435	7.161	50	40	KKGB	
COc1cc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2)ccc1OCc1ccccc1	408538469	NHXOWDDXPYJCHP-IMRQLAEWSA-N	504.586	6.707	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408551141	BXAHVLUZEMBENU-MNDYBZJGSA-N	577.306	6.880	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	408553011	UFMYTHUWZIZNSZ-VIZOYTHASA-N	537.186	7.290	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	408566468	AAKBXFZUXMWZFB-MZJWZYIUSA-N	588.505	5.944	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1cccc2ccccc12	408567002	JWDLXILSBREUCY-OKCVXOCRSA-N	578.419	6.261	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408569488	OGOVCQNYHNDHQY-ALQBTCKLSA-N	582.751	6.553	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccccc1F	408569987	RIMKDXBJICWJLQ-FJEPWZHXSA-N	605.551	6.574	50	40	KKGB	
O=C(NNc1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408606036	LCEFZGZRQKFRMI-INIZCTEOSA-N	549.252	5.831	50	40	KKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1	408609944	MEPZAUNAKNEPMM-KKMKTNMSSA-N	535.225	5.732	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31	408639625	GCWIYXDNROAIIR-AKGHTDQDSA-N	557.861	5.284	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408711632	CFANVONRZQJQFG-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
CCCCCCCCCCCOC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)OCCCCCCCCCCC)cc2)cc1	408720408	NXAUSMKWSXSEIF-UHFFFAOYSA-N	683.135	10.603	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1	408724943	CHVVFZSKICQLEL-JEPNHJGPSA-N	652.169	5.989	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)c1	408745126	JWNNNQMBQHJHFT-QRVIBDJDSA-N	561.863	7.779	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	408745881	WCOCKPGZATUQHA-WQRHYEAKSA-N	590.699	7.388	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747463	OHUZFLLOINIHKI-CHHVJCJISA-N	706.987	8.248	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(OC)c2)ccc1I	408747933	VWTOXYSCSNJJBE-LUOAPIJWSA-N	639.240	5.143	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408752399	AKBMCKIHUXVSHO-VTNSRFBWSA-N	540.417	6.259	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408763271	IOCDMLIMQDLJMB-NVMNQCDNSA-N	556.800	6.534	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)cc2)cc1	408776490	PDJYTRUSCZOFKX-KCSSXMTESA-N	560.075	6.422	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1	408779835	LVJBNXKQKLBFJE-ULJHMMPZSA-N	546.465	5.683	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc(Cl)cc1Cl	408783738	QEUAJUSZIXDPTL-OHUIHDMLSA-N	576.196	7.126	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408787953	HTIARUQLMZZDAQ-VXLYETTFSA-N	602.812	6.166	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789720	RQAUBHVKWZABPE-XDHOZWIPSA-N	507.340	5.037	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408792457	JZRWCOOYUPUDKG-YBFXNURJSA-N	621.258	6.899	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(I)c2)cc1	408811806	LYXOPRUVYOIRPC-BKUYFWCQSA-N	524.358	5.102	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408811814	APDYDZRGSWONQY-AEVGBRMKSA-N	712.269	9.627	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408821535	IPRZDCQATQSOEG-NNRJCLOKSA-N	794.566	7.626	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408822946	CYQAGVGLJTYPOY-LPYMAVHISA-N	598.313	9.004	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408823754	OTMXURXGQDJHTB-HZHRSRAPSA-N	636.315	8.054	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Cl)cn34)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408826325	JCKMOCSKLNPILV-CNCDYAKUSA-N	610.523	6.006	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1	408828872	ODMAEQVEQXXSGQ-WVKHYPTHSA-N	762.310	5.932	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408838813	IUCAPSPQQHTRQE-QNVXDBMFSA-N	621.521	8.351	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCC#N)c(Cl)c4)cc3)cs2)cc1	408839096	MWMFDHINHQAWNJ-AMVVHIIESA-N	536.444	6.835	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4ccc5ccccc5c4)cc3)cs2)cc1	408840393	BDNGNSQPUBQIRJ-QLQYKETESA-N	568.702	8.358	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408841181	FXBQATMBLASADD-YPXUMCKCSA-N	653.262	6.364	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccc(Cl)c(Cl)c1	408845589	HVJSYCLEEJEUON-DPWJMMOYSA-N	656.375	7.482	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1	408848059	XZWKZHPOWAQAKS-MBTHVWNTSA-N	553.254	6.447	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)ccc1Br	408852446	FZCPUUSQMZHXHK-RMORIDSASA-N	543.668	7.073	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cc(Br)c(O)c(Br)c1	408862962	JSYTZBYZXBNQIY-TXNBCWFRSA-N	611.099	5.428	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(Br)cc2)cc1	408867532	LKZHJOMQLHQEHD-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C(/C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408868547	AHVZZCPATJYUEO-QURGRASLSA-N	509.324	5.632	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c(OC)c1	408875483	JFCBNACINATYCY-DJKKODMXSA-N	604.270	6.170	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccccc1C	408878568	AOPHMFFKSZXZLU-VCHYOVAHSA-N	546.248	7.198	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408879310	DAMBZHDPYQTZTL-LICLKQGHSA-N	576.414	5.922	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408893833	GCMRWITXLRXYOX-WOJGMQOQSA-N	648.735	7.346	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408896908	URTGEGCAYPXGHA-XDHOZWIPSA-N	565.376	5.319	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)ccc1Br	408904758	OFJUJYZGILMOAM-RAWMCFOBSA-N	688.114	6.767	50	40	KKGB	
Cc1c(Br)c(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(Br)cc1	408905259	WCAURDLINOAGPJ-GATIEOLUSA-N	560.202	6.037	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c(Br)c1	408924767	OJWIDBVIKFVMJS-LICLKQGHSA-N	547.678	7.127	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408950456	KIMMUPCIFRWFDE-IMRQLAEWSA-N	549.074	7.074	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)c(OC)c1	408952464	KIXVENYXVBEIAR-VVYBVRPNSA-N	764.855	6.173	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408969000	FNMUCSNWHRKXFM-KWDPGLJPSA-N	613.545	6.642	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408982607	IGQAYMKEHHMOPW-LSCVHKIXSA-N	512.349	6.343	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)c2ccccc2)cc1	409001790	KLUGWEBQAZIXNX-AWLRXGSOSA-N	562.091	5.787	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCOc1ccc(Cl)cc1Cl	409012454	IEBCJWANXSSQCZ-JDAVSHIBSA-N	602.518	6.195	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCc1ccc(Br)cc1	409073703	REKQYIKGRKMYMO-PXLXIMEGSA-N	515.407	7.361	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1	409074437	ZLWXYHCLOYRCAZ-LFIBNONCSA-N	592.265	5.534	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1	409077087	CUGLLXQEJIFKBO-RIYZIHGNSA-N	522.266	7.258	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409116555	VMPKNLMIEKQHTC-KVAAJVFYSA-N	675.591	5.781	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1	409161633	NUIDXQFXOTZZSW-MUFRIFMGSA-N	519.395	5.962	50	40	KKGB	
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409178626	HDCZMUACGPUOAX-NDBXHCKUSA-N	658.299	6.171	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	409185195	KFXXOZCLKLTVTA-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)NC1CCCC1	409192591	YXXFFELFWJTTFT-YVLHZVERSA-N	504.222	5.756	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)c1ccc(OC)cc1	409220342	XHQBKMXOOHSGIU-UHFFFAOYSA-N	582.569	5.238	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409226610	VCWFNWSTCJYGPZ-UHFFFAOYSA-N	617.014	5.891	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)n1	409239796	QNGGXXYIJVMZGC-VFLNYLIXSA-N	614.363	6.593	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2SSc2ccccc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	409257822	VILQMRXWXYYRGF-UHFFFAOYSA-N	606.638	6.824	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)c(C)c1	409260667	UHYPJGGZDWSJKZ-SRZZPIQSSA-N	611.334	7.008	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)c(C)c1	409263583	HYQWZLATGOPLQK-AEUUOICLSA-N	654.590	7.714	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2C)cc1	409264272	OGCNQVBAOREUMH-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409266016	JCIXNUPTXRASDU-KOKCXWAISA-N	745.643	7.955	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1OC	409317938	SEMFCJNAOSSOFX-MBTHVWNTSA-N	640.350	5.849	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409321062	RMSWWFLMRCEUTI-SFTDATJTSA-N	582.893	5.464	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1OCC	409325077	WYQUODGOSMOADP-MNDYBZJGSA-N	622.741	7.171	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OC	409335990	QSEJCTSKENRFEA-LJUMEUDFSA-N	643.478	5.353	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409363653	LTVJGMCISRMFRE-YSYOEVFLSA-N	678.573	8.180	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2c(F)cccc2Cl)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409373966	WHVPCXGMLGSNGR-NUJZUDFISA-N	516.038	5.054	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3F)c2)ccc1OCc1ccccc1	409385280	HGUWRQXZXHPTBQ-APTWKGOFSA-N	541.579	5.585	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	409385883	KTRAWRJERNMFGQ-REZTVBANSA-N	535.225	6.404	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386022	NIVINFYWGJRLPZ-LUOAPIJWSA-N	668.161	7.440	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409394555	CDUJKBVGKZMSHC-UHFFFAOYSA-N	714.729	8.044	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409396981	DQAWAABIPQAHBN-UHFFFAOYSA-N	547.567	5.864	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409397242	HVFXKIKUTHHMIU-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397592	LPBDMDNQCAFWAH-UHFFFAOYSA-N	741.422	8.312	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409398876	VZWMZQLINRDBLD-UHFFFAOYSA-N	568.427	6.589	50	40	KKGB	
CC(=O)Oc1cc(N(C)C)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409399962	ANLHDZVHUISMET-LQNQUEJISA-N	514.582	5.021	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409400633	DUZCCTXHWKVPSD-GYDRZMFUSA-N	639.459	5.641	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Br)cc1	1529547720	OKCSYQBNXDTNGT-YLDRGEGNSA-N	721.674	6.040	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nnc(-c4ccc(OC)cc4)n3-c3ccc(Cl)cc3)ccc21	1863206	GEBFPMJVCJDRGQ-ALQBTCKLSA-N	595.128	6.967	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1cccc(F)c1	2214535	ZEEAEVSAHUFKHQ-VULFUBBASA-N	510.392	5.078	50	40	KKGB	
COc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Br)cc1Cl	2801634	CUSLXIGCUBZMSO-CPJSRVTESA-N	549.856	6.284	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1Cl	6906940	VIZGMKNHBIDKNE-ODLFYWEKSA-N	516.388	6.285	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1	8396668	NTJDNNROEFCLEK-IWSKFZNNSA-N	577.758	6.510	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	8812564	ZFHSREXGBIWJOU-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1CSc1nc2ccccc2o1	9043016	PMRBQJBBNGNZCL-WCTMTJEMSA-N	504.439	6.170	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)c1	20243767	XLCPYIVUILUEKH-WFMQBCDOSA-N	518.908	6.758	50	40	KKGB	
N#C/C(C(=O)N1CCCCCC1)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	33762252	RRFHAMTYWUFDND-QAKHZNQRSA-N	500.451	5.822	50	40	KKGB	
Cc1ccc2nc(-c3ccc(OCC(=O)N/N=C/c4ccc5ncccc5c4)cc3)nc(-c3ccccc3)c2c1	44980824	IZCKPIZMBYUDFG-JEPNHJGPSA-N	523.596	6.350	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccco1	58980046	KIVQXRJRAXKXKW-WKULSOCRSA-N	508.361	6.182	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccncc4)c3C)sc3c2CCCC3)cc1	59250518	XVCFUHPQIYWHJX-KBVAKVRCSA-N	511.651	5.754	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N\NC(=O)CSc3nnc(-c4ccc(OC)cc4)n3-c3ccc(C)cc3)ccc21	97959541	KKLIOZOMXNRJDU-GXBUFBABSA-N	574.710	6.622	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1	98006255	AFFNXORPFDROCN-HXUWFJFHSA-N	540.596	5.549	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	100118530	SLNSEMPNUCCLIX-PPFNPFNJSA-N	562.695	6.254	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1cccc(Cl)c1Cl	100120094	YSDBHQDOWXJRFT-QLQYKETESA-N	573.568	7.620	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122291	MIAGTMPULOFIJW-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100127533	ZGXLRXGQCSVCLU-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1	100129348	GQKSABUPJDSNQG-LJUMEUDFSA-N	613.965	5.851	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3sc4ccccc4c3Cl)ccc3ccccc23)cc1	100143532	JDLOQMJFDFWPQX-WCMJOSRZSA-N	529.017	6.765	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl	100405697	SLZMJDXTSYXITO-XKJRVUDJSA-N	564.800	6.011	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	100477878	VFMVSQBKYFZVCM-XBQJKBNESA-N	550.618	7.566	50	40	KKGB	
Cc1cc(O[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)nc(S[C@@H](NC(=O)C(C)(C)C)C(Cl)Cl)n1	101164245	BWSZVTLKOKGQJQ-IUODEOHRSA-N	568.782	5.407	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccc(Cl)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	101695241	RGASMEZPEISBIW-AREMUKBSSA-N	562.047	6.060	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)n1-c1cc(Cl)cc(Cl)c1	102988777	LTJNGENQNJYGOU-CIAFOILYSA-N	557.503	6.121	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	103902669	HUKVSKPLKHMWRD-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
N#CS[C@@H](C(=O)c1ccc(Br)cc1)[C@@H](Nc1ccccc1)c1ccc(Br)cc1	104808082	VGXKBMHGGGJAIO-RBBKRZOGSA-N	516.258	6.831	50	40	KKGB	
CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341219	HCCHHYJWMYMSJG-RXMQYKEDSA-N	766.114	9.896	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342119	VADAHCVEWDXLIW-UWTATZPHSA-N	792.030	9.658	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	150427477	JZZUGQHMYWBSBH-ZMFRSBBQSA-N	624.229	5.242	50	40	KKGB	
C[C@H](Nc1ccc(I)cc1)c1nnc(SCC(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)n1C	150508630	FRQWVXRJTSLTFR-QKLWLHCCSA-N	705.420	6.177	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795489	SSKMSEHABVYQOF-PMACEKPBSA-N	870.370	13.281	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2OC)ccc1OCc1ccccc1	408538410	MLTPJLWANOFDHK-QFEZKATASA-N	658.505	7.468	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)c(C#N)c1C	408546013	CEUOMWJQQDXYOY-FYJGNVAPSA-N	525.605	6.274	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408553594	OLYVGTYJFYHSQP-YBFXNURJSA-N	607.486	6.693	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(C)cc1	408568224	IKQQCVIGQBFCIQ-STBIYBPSSA-N	522.692	5.980	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408581538	XRQYBTSMZIJPID-OVCLIPMQSA-N	553.718	7.895	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408607129	NAQDQNYOTGNKGZ-FQEVSTJZSA-N	542.463	6.030	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408610593	OLCLZRRGRSGXBC-FJEPWZHXSA-N	548.854	6.494	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408637787	BDOOFGCBRZSDDH-NCOADZHNSA-N	662.118	5.064	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1C	408644297	QWIOQKIPJHPWPW-MKXGPGLRSA-N	645.175	5.772	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@@H](Br)c2cccc([N+](=O)[O-])c2)c1)c1ccc(Br)cc1	408682939	LTFBJJFGHDUKCW-BDYUSTAISA-N	652.295	7.154	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12	408710672	DLUHCTZPYNPGPO-AMVVHIIESA-N	558.259	7.261	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccc([N+](=O)[O-])cc1	408723349	SDIPQJMALRSXEW-WTYJXDNXSA-N	576.996	5.215	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408725547	LQWFQUSQVVRLMT-CWUDWNJOSA-N	554.710	6.720	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408726976	XHCNBFINHOURDJ-NDENLUEZSA-N	536.382	6.189	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408742800	PXXVXQMJYFQLQM-OQLLNIDSSA-N	586.298	5.454	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(I)cc1	408743506	ASDPPNLDIJHWTF-UYRXBGFRSA-N	558.803	6.468	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1Br	408745162	KMTPDIBCOOVLJN-NVNXTCNLSA-N	552.219	5.098	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	408746323	YJPICFYOHNHVPG-ZDLGFXPLSA-N	563.222	7.031	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OC(C)=O	408752188	BYTFELZPBATOTQ-XGICHPGQSA-N	531.133	5.078	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(Br)c1	408756877	XZHVZZROECHCOZ-GRSHGNNSSA-N	537.211	6.208	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3I)cc2)cc(C(C)(C)C)c1O	408758639	OHSMKGCRKCRBBS-ALQBTCKLSA-N	655.577	6.692	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C	408780832	LSAAHNJOIUDWEK-JFLMPSFJSA-N	503.974	5.401	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	408781750	DODSYQGNXATTSY-CVKSISIWSA-N	555.281	5.492	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2cccc(Cl)c2)cc1	408788770	GOZFIOFOQHTBAF-BIZUNTBRSA-N	542.060	6.300	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCC(=O)O	408792755	CLAPJOGZAFZSPF-LFYBBSHMSA-N	514.159	5.164	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408794069	RHBZWEHHTKSHPS-YDZHTSKRSA-N	638.345	8.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(I)cc1	408797043	QTNSLTIXUDSOCA-PCLIKHOPSA-N	709.378	8.156	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccc(I)cc1	408797755	SPMQNOJHTYHTPW-UDWIEESQSA-N	616.839	6.255	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc2ccccc2c1	408798037	UHYPIWPHXJBAQG-YDZHTSKRSA-N	517.412	7.670	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408798242	VHQXWNKFSGNLJJ-GIJQJNRQSA-N	747.154	7.504	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408817987	XLARDTSTEPTMAE-JAIQZWGSSA-N	525.374	5.408	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408827839	MUSAUARZFZQKHJ-YDZHTSKRSA-N	638.345	8.468	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	408838260	UAVHQFLBHKXULZ-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl	408838734	ZVXJFOHASISNKI-LUOAPIJWSA-N	562.306	5.624	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841683	GRLZHMORODLOSQ-CDLBOOTPSA-N	793.912	10.070	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC#N	408847242	UKOOXPNYYXCPDS-AMVVHIIESA-N	596.894	6.644	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408847691	OAKMLQPFYOVVRG-QGMBQPNBSA-N	582.119	8.560	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccc(Br)cc1	408852550	HMJLKWABIOGTNE-LGJNPRDNSA-N	533.220	5.348	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1ccccc1Br	408865771	FKFPKCALQRRRAD-DEDYPNTBSA-N	510.229	6.657	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408882312	QRJMQJQZGMTTIV-CIAFOILYSA-N	586.857	7.085	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc(I)c1	408885795	AWDRZKGAUGUDTB-KBKYJPHKSA-N	559.618	6.594	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2OC)cc1	408889135	DZEXZKNQLJPNOR-STBIYBPSSA-N	595.393	5.082	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OCc1ccccc1Cl	408889823	JNBMRFIJXUSUJX-HYARGMPZSA-N	608.863	7.621	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1	408892435	BIOBIBGLEHHENM-RPPGKUMJSA-N	506.183	6.047	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408904346	ICRVPRIINYOZLP-UHBFCERESA-N	566.452	6.318	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)ccc1Br	408904969	RHYCOTPQTZVRFF-BCHBDCPOSA-N	541.660	7.452	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(I)c1OCc1ccc(Br)cc1	408910109	JERNCDJVNOLWSY-XODNFHPESA-N	623.285	5.787	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408941579	DXOHIHYXYFKSDI-HHHXNRCGSA-N	716.998	5.475	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(Br)cc1	408947032	NMVHGFIZUJGYPE-MUUNZHRXSA-N	746.478	5.684	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccccc1Cl	408960721	ICDGIPWJRDZODA-XODNFHPESA-N	572.799	6.499	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408968173	ZVJXHQWCSJCISD-AMVVHIIESA-N	717.257	7.046	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	408978494	ITZCTQUHRZMAGO-ZYVHIHPKSA-N	605.533	6.012	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408999231	QCXLGXNMDIXDBA-VIVICKJKSA-N	640.589	6.840	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)c1C	409002137	MHRLQEDNLGIFRB-KHCQRQCYSA-N	654.574	5.355	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	409004917	GDHOIIXKZJROLS-FJEPWZHXSA-N	596.920	5.561	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)ccc1OCC(=O)Nc1ccccc1C	409015357	RQOUUFJYWYCQII-KKMKTNMSSA-N	591.256	5.016	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccccc1	409034170	MPJVUBCPOQZZKC-APTWKGOFSA-N	566.455	7.016	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccccc1F	409042934	LRYHTCAWLZGZGI-FABQOPTDSA-N	584.445	7.155	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	409046696	LGKJVOAYAOTEIN-UDWIEESQSA-N	578.419	5.116	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1OC	409055207	KLKYPVUNFXEDHC-XODNFHPESA-N	570.882	5.005	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(OC)c(OCc3ccccc3Cl)cc2Br)C2=C1CC(C)(C)CC2=O	409147056	UYZHVKABZTWQPL-AREMUKBSSA-N	600.941	6.073	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)Cc2ccccc2)c(C)c1	409149552	JRDNTZQJFCYPLR-FMFFXOCNSA-N	555.700	5.532	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl)Nc1ccccc1Cl	409157838	NPCNKUBZKMOBBD-IPBVOBEMSA-N	554.217	5.407	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc(Br)c1OCC	409172081	GYCAIRIJFSUSPE-AFUMVMLFSA-N	555.267	5.268	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccc(Br)cc4)cc3Br)cc2c1	409187018	KXHMIDKUBICLOS-NUJZUDFISA-N	602.279	6.708	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)Nc1ccc(Br)cc1	409187640	STTYLDPGQIXUBV-BOPFTXTBSA-N	591.097	7.099	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409220186	VJFFVHLTSMNNNZ-GZTJUZNOSA-N	589.273	6.718	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)NCCCc1ccccc1	409231470	KNRSYJSROVAONV-XYGWBWBKSA-N	698.342	7.284	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl	409247086	BCZNNIIZMRUIQD-WOJGMQOQSA-N	524.802	5.974	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)cc1C	409251865	ABYGOQWJZGVUFJ-XDHOZWIPSA-N	520.383	5.335	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409256534	LWVZSVMTNNMLQM-MTJSOVHGSA-N	595.437	5.788	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409301720	FZPSXHPFOXLHJO-AQLQTECXSA-N	624.366	6.514	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc3ccccc23)ccc1OCc1ccccc1	409306439	ZYPMSQRTSAWRQT-IDWIKUEFSA-N	609.520	7.923	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409309927	OBPSATBOMYSEBE-OALUTQOASA-N	525.841	5.717	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409312348	KQAGDERNNWLTBM-HQDYHJHZSA-N	579.480	7.323	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1OCC	409314291	SFVUBRUOTXWFCT-QQXSKIMKSA-N	505.409	5.364	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	409321738	JCRCFLKUNMCVQO-MXAYSNPKSA-N	514.878	5.120	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1OCC	409325617	YWCCYAUJOTXNEK-UHBFCERESA-N	602.323	6.826	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409366266	ZLZBKWCUQJEYDC-BOPFTXTBSA-N	528.367	6.094	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395260	LRHLNKZFZAZHKM-UHFFFAOYSA-N	680.284	7.390	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)[nH]c12	409395273	LVDZDVBHZSIKRF-UHFFFAOYSA-N	711.794	8.014	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395282	LXOSKPHESAUUJG-UHFFFAOYSA-N	853.145	9.346	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccco4)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409397101	GDNLHZVZOJIFCI-UHFFFAOYSA-N	572.017	6.862	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409398222	RTHCCCAUZLEWBD-UHFFFAOYSA-N	591.973	7.499	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)cc1OCC	409398911	WJOWDGJPGUVJCY-UHFFFAOYSA-N	656.533	7.387	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1Cl	409400022	BABKKJIQXQNWRO-UHFFFAOYSA-N	584.072	7.271	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409403173	MBMUHJHOWYXQPX-OJYCWLPVSA-N	576.653	6.356	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccccc1F	1529549301	XFCPNCUFIAUAQQ-AYSITGFNSA-N	734.442	5.815	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1	1529549381	XJQIYZWCLKHJSY-ROKSKZBTSA-N	716.998	5.475	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1	1067727	LOIOZXBKOZRTFP-MUUNZHRXSA-N	559.091	6.364	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)n2-c2ccc(OC)cc2)cc1	1823178	CYBSVZVPRFZCHT-STBIYBPSSA-N	515.639	5.317	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1	2553510	HIQPTIYCMZIZEW-DEDYPNTBSA-N	514.478	7.545	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(Br)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	3664916	KGTPLYHSGOJNDH-HSZRJFAPSA-N	580.548	6.507	50	40	KKGB	
CCCOc1ccc(C(=O)[C@@H](CCCCC[C@H](CN(CCCl)CCCl)C(=O)c2ccc(OCCC)cc2)CN(CCCl)CCCl)cc1	8424725	SZNSPKKJIWTTAN-CZFRINIUSA-N	732.661	9.072	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3cccc(C)c3)=C(C)N2)cc1	12250463	XVUPLOKROAISHX-SANMLTNESA-N	514.607	5.303	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OS(=O)(=O)c1cc(C)ccc1C	12566247	FMICXFXZPMICJZ-STBIYBPSSA-N	510.656	5.136	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)NN(c3ccccc3)c3ccccc3)n2C[C@@H]2CCCO2)cc1	12617205	OROQLTFMIKPUTP-VWLOTQADSA-N	515.639	5.094	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@@H]1c1ccco1	20136798	RWQIAXRZSSAJFZ-RUZDIDTESA-N	513.619	5.665	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)N1	33354472	IHNBZPKWMBBBQL-SSEXGKCCSA-N	578.719	7.247	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)c1	59336162	LPRMQCGFEBLIGI-WQRHYEAKSA-N	516.222	7.189	50	40	KKGB	
Cc1c(C)c(C)c(C[P+](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(C)c1C	95677063	GGXBOXHBVHZWGF-UHFFFAOYSA-N	526.895	8.683	50	40	KKGB	
Cc1sc([C@@H]2C(C#N)=C(N)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)cc1CN1CCOCC1	98008209	KCOREKZHGSQARH-DEOSSOPVSA-N	528.600	5.212	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3nc4ccccc4s3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048706	HYKDCXDNQGQGSC-MHZLTWQESA-N	583.695	5.717	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccccc1	100287736	KDVXZQHOORSBRC-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	102229869	LKQSBIANDAZCTR-HHHXNRCGSA-N	592.946	7.362	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCC(=O)N/N=C\c1ccc(F)cc1	102414422	BZHRSTLRIICMJS-BZNCWZHBSA-N	615.493	6.333	50	40	KKGB	
CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528443	WZDVLTGJIFOBKN-CQSZACIVSA-N	592.315	9.595	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2c(c1)OCO2	103890834	RJIJGLJAAWRDGD-GRSHGNNSSA-N	586.269	7.338	50	40	KKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)OOC(=O)CCCCCCC/C=C/CCCCCCCC	104348883	BWBVNPNIHQQWIR-YAFCTCPESA-N	562.920	12.063	50	40	KKGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2sc3c(c2C#N)CC[C@H](c2ccccc2)C3)C1=O	113481814	PPJKPSKLHGAKLC-UQBPGWFLSA-N	535.654	5.628	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1	150485434	WEHADPSLZUZOFO-JSIOSSKGSA-N	691.655	8.005	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCc1ccccc1	216043042	NACIWWCTNNAGBJ-DICXZTSXSA-N	528.390	5.188	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1	408538465	NGTZXKJKJYWODH-LQKURTRISA-N	627.535	7.238	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408540788	VXESVTOEJPJPGH-AEUUOICLSA-N	564.560	6.645	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550575	IDDJSFOYDGTNEW-RQZCQDPDSA-N	723.228	7.753	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408587132	QRQXGLYJXQLUAF-SOFYXZRVSA-N	605.086	8.557	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4c(F)cccc4Cl)c(Br)c3)CC2=O)cc1	408601537	BHORPOFVFPHGNN-MRXNPFEDSA-N	546.824	5.625	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408612026	TYZPPEISORBXIM-WKULSOCRSA-N	514.409	5.622	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408647217	WSMDNLCJFZGMEM-HBRVENNYSA-N	673.185	5.687	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	408674017	XCSCBNXVDPONQL-BDYUSTAISA-N	642.289	7.698	50	40	KKGB	
CCCCCNC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)NCCCCC)cc2)cc1	408719227	ATTFFTORJFDCNE-UHFFFAOYSA-N	512.843	5.068	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1	408719962	QMIPRNXDWVUBAT-CCVNUDIWSA-N	547.902	6.464	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	408723474	WCKOVYJTPGENSH-GMECBSATSA-N	546.026	5.236	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)cc1O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408740341	FPTJXCBWDUXFTG-BIZUNTBRSA-N	552.428	6.749	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)o1	408742098	PGOIINLPRXPYFS-GOJREDGKSA-N	566.617	8.052	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408744433	FQPCNKYCEQKPDF-MFOYZWKCSA-N	517.796	6.789	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OCc1ccccc1	408754516	KPXOTWIKACTXQL-WOJGMQOQSA-N	542.227	6.345	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408763369	NHSIMQUTTNZOGN-MOSHPQCFSA-N	602.401	7.011	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	408765306	XQJMPSNWRJLLSL-PLFABGOGSA-N	543.689	5.571	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1	408770899	CFMXZVKTJANLQH-PDGQHHTCSA-N	511.456	6.739	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccccc1Cl	408775847	SNYBEZVLLOGONM-ULPWCQAASA-N	541.751	6.473	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)cc1	408790417	WBLHVODZNXHGOL-WPWMEQJKSA-N	520.585	6.540	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1C	408790676	QSFPIGXGHCQGOD-QGMBQPNBSA-N	656.145	8.102	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408791584	ZBELYNGDCZHYRV-RGVLZGJSSA-N	574.302	7.842	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(C)cc1	408791649	AGBYKVIWPIKFDK-YBFXNURJSA-N	558.803	6.386	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	408793324	OLBYUWMTVQAFOS-VCHYOVAHSA-N	526.774	6.444	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	408794677	ARZLJQSFZULRIS-CPNJWEJPSA-N	504.815	6.960	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408799756	IIROBRUTPLXSMK-GZTJUZNOSA-N	510.808	7.204	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2Br)c1	408810488	JERVFAVXHBPBML-ZDLGFXPLSA-N	544.218	6.784	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F	408838228	SUQPRUHQPJDGPG-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1	408839189	OMDJQMGHWVJZNG-AABVJFSESA-N	707.946	7.469	50	40	KKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408841849	IAONHFOQBMTMJM-IPPBACCNSA-N	541.460	7.032	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1	408841935	ISYOTBIISWHEDL-LICQPGKASA-N	598.453	6.093	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(Br)c(C)o2)cc1	408842427	OVNFSUNUKYJQTE-STBIYBPSSA-N	582.476	5.519	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2C)c(Br)cc1OCc1ccc(Cl)cc1	408850151	GZCASHMCIZIFBO-YBFXNURJSA-N	604.726	7.697	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)cc1	408853290	QSMKXLJAKQKLJX-BZFSWPTRSA-N	578.716	8.203	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	408859272	RVSJUMLGCADHQH-LQKURTRISA-N	558.498	5.235	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	408865252	CEUPATUJSKWGIT-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(C)c(C)c2)cc1	408869156	RAYQWFJDEIKJEV-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(OC)c1	408870772	WTFMVEQNULOUAI-KEBDBYFISA-N	537.956	5.076	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1Br	408879085	FHHQPDGRSCMAML-PCLIKHOPSA-N	617.927	8.205	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1	408879747	FGONPVBZIGOOBJ-XSFVSMFZSA-N	556.372	6.584	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408882057	OXSYTGKCMCSXTB-JEPNHJGPSA-N	620.171	6.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OS(=O)(=O)c1ccccc1	408890977	JLWJCFWDAGYLIN-GZTJUZNOSA-N	602.419	5.078	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(I)cc1	408895451	MVZYSAXTGNBVIY-LDADJPATSA-N	514.750	6.069	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408897112	VTBFHGOAIZWANF-CPNJWEJPSA-N	531.793	7.021	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc(C(C)(C)C)c1O	408897800	UCFSDLYXOWCLBS-HNSNBQBZSA-N	579.535	7.052	50	40	KKGB	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OC	408900555	WAUQJEFUFHMJPZ-WUXMJOGZSA-N	514.601	5.736	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(I)c1OCc1ccc(Br)cc1	408914831	ZDWKCWFVCBYXLY-KKMKTNMSSA-N	629.676	5.824	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1I	408966700	PYMBSSFANYZOEY-UVHMKAGCSA-N	566.311	5.160	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408971080	LRPLOKXIUUMBOX-KZTHHHFKSA-N	593.305	5.410	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1ccccc1	408979536	MQLPMRLRMOALMM-OJANRJRPSA-N	547.453	5.780	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	408984853	TVCHGCLAAWAPHC-MFOYZWKCSA-N	550.667	7.842	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	408986045	LJPNGAWHESMLBP-OQLLNIDSSA-N	508.743	5.372	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1	408991675	OVIIMHCCQCFSKU-YWFITGJYSA-N	620.112	6.464	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccccc1Br	408997890	OYNFTJZCUUIMLD-UHBFCERESA-N	527.422	5.475	50	40	KKGB	
O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1	409003256	YWTUCLJULPWGOS-LUOAPIJWSA-N	589.644	6.360	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1ccc(I)cc1	409024818	XEYJTKVQUXJEHD-CPDSRJINSA-N	601.828	5.610	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	409042369	MPHJJHXGFOGBSL-CXUHLZMHSA-N	644.263	6.852	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409043675	YZIODLFTAHTWKV-FZPRHHONSA-N	707.322	7.520	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	409047583	ORKQJZYPOCVBTD-CXUHLZMHSA-N	521.809	6.269	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl	409055452	IPWXYMXXUKXOJO-VIZOYTHASA-N	526.634	8.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409086790	BEVOPGLQJDFFBL-LDADJPATSA-N	511.456	6.659	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1)S(C)(=O)=O	409119053	QKWVZQHSSVDATL-FADJLKOXSA-N	577.706	6.457	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C2=C1CCCC2=O	409131901	PNNVZUMCXFQCRM-NRFANRHFSA-N	561.249	5.660	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409224590	KVFFTVWNVOUNFY-DEDYPNTBSA-N	523.511	5.976	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409225908	SPBIZVOEAGOUBD-LDADJPATSA-N	510.377	5.955	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409265754	OOZRFWWVBSVRCK-FDVSRXAVSA-N	601.441	5.097	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409266419	WRJUYXFKPHLKMG-ZRGSRPPYSA-N	590.228	5.210	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	409271488	LMIQAPLWLKRUMD-ODQASSKESA-N	665.002	8.604	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409322790	XUTVBEZLNOWOIS-NVJOKUIPSA-N	615.251	5.967	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1OCC	409324911	WIFARYLULFXJAQ-CAQPMQTCSA-N	533.024	6.642	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OCC	409331543	GBNDOPMLQWSOOS-ZMGVVAQMSA-N	577.892	7.352	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(I)c1OCc1ccccc1Cl	409364950	RPINYUCCXYUYDC-MWLSYYOVSA-N	576.862	6.178	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	409372016	DJZKSASQAYEGBO-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)cc1OCC	409395716	QXDFSLSNBLFZDG-UHFFFAOYSA-N	814.325	8.912	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409396673	AAFHIIPJKIZIHC-UHFFFAOYSA-N	601.490	7.199	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(I)cc4c3-c3ccccc3)cc2OC)cc1OCC	409398612	UVBVOIBGWLDGRD-UHFFFAOYSA-N	703.533	7.229	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc5ccccc45)c(Cl)c3)o2)cc1	409400395	CTEQDVYHJACRQO-FIBXFRIOSA-N	638.551	9.069	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC#N	409405636	UELYYJKDSMFKTM-UHFFFAOYSA-N	532.984	5.594	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1	2224924	XONIAPAZUCLXDP-VUTHCHCSSA-N	514.655	5.032	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C\c3ccc(Oc4ccccc4)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(Oc2ccccc2)cc1	2604368	BVAJYSQKXPPHMR-SSZLPGGOSA-N	566.642	5.446	50	40	KKGB	
COc1cc(C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)ccc1OCc1ccccc1Cl	3333149	PIAXRPVGHJDAGQ-UHFFFAOYSA-N	503.986	5.410	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@H](c3ccc(Cl)cc3)Nc3ccc(Br)cc3[C@@H]2[C@@H]1Cl	6445789	KFXQFKKNORQDIZ-LVTPPWGZSA-N	550.305	8.049	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1ccc(C(C)(C)C)cc1	8451200	RBXGEUKQUYCNCN-AREMUKBSSA-N	542.705	5.937	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@@H]1c1ccc(C)cc1	20131357	JNETWVDSFYMRPB-VWLOTQADSA-N	508.043	5.754	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	33413243	BQCFJTIVEAIBMM-KBKYJPHKSA-N	508.745	5.907	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1c2ccccc2cc2ccccc12	51075734	YVKAHQJJIRBBIU-OHUYPAJKSA-N	535.072	7.287	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)c1	58914992	GPBGLHUNHATVIQ-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	97966027	IVTHGCJQWJJFNX-LUOAPIJWSA-N	561.230	5.082	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2nc3ccccc3s2)N1	98048668	SBPGYJREVSLFAH-DEOSSOPVSA-N	630.073	7.268	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(I)cc1	100063381	XBHFIWSRLKAAMQ-JFLMPSFJSA-N	593.259	5.724	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100129527	RYGSJHKKKGPQPW-LJUMEUDFSA-N	569.514	5.742	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	100239748	WDVJSXFVOXSDBT-FMFFXOCNSA-N	604.798	6.177	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1Cl	100336145	COYLPEZZWDBDSU-JAIQZWGSSA-N	572.830	6.695	50	40	KKGB	
CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1	100852812	FABLUJXXYUNLPW-WGOQTCKBSA-N	522.677	5.541	50	40	KKGB	
O=C(Nc1ccc(Cl)cn1)/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1	102618257	KIYJPJAEIHIOJL-BGABXYSRSA-O	563.017	5.939	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	103887416	CNULTKVAYRZFOB-NVMNQCDNSA-N	526.774	6.444	50	40	KKGB	
CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)N/N=C/C3=C(N4CCOCC4)/C(=C/c4ccccc4)CC3)cc2)C1	105595361	ZMEDGJVNBBHMPJ-KFSOBUGISA-N	602.801	5.455	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	150351940	DTWBPLPTQYRFDJ-FXVCAPHOSA-N	665.772	6.474	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	150437176	QODBOBMHQYXOMP-HMAPJEAMSA-N	700.314	7.572	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1Cl	164744971	MGQHRKBCUQJQGM-YVLHZVERSA-N	627.693	7.775	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	198314074	PDGXVRIVSJNLPM-SAEPALGJSA-N	663.505	7.000	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)cc1	408538391	MDHSRYNUHLQBCS-YSMPRRRNSA-N	613.066	6.847	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408542070	JXBSJDJEVZKVNY-GRSHGNNSSA-N	509.312	5.707	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(Br)cc1	408551584	OBBVIXLIQSMMDX-CFRMEGHHSA-N	563.289	8.407	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408554038	YLYXRTCKJWWQRH-AQLQTECXSA-N	656.202	7.642	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408570768	YHNAALHONYBIGH-IBBHUPRXSA-N	648.576	6.012	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	408580770	RRCWXRVXJCNDEX-CIAFOILYSA-N	538.385	5.998	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)CC2=O)cc1	408601915	CGVPCRXAIYZQAI-IBGZPJMESA-N	528.436	5.640	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408609008	IYTSORWBIDZHNI-XODNFHPESA-N	504.801	5.877	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408640694	BMSFGSLAKOJWSU-CXTJEWLQSA-N	677.604	6.053	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408676568	KMIBHILZMBSFMA-STBIYBPSSA-N	522.989	5.590	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408710909	WAHHRKIUTBTUOO-WKULSOCRSA-N	568.265	6.716	50	40	KKGB	
CCCCCCCCCCOC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)OCCCCCCCCCC)cc2)cc1	408720481	QYFKORJISHEJDX-UHFFFAOYSA-N	655.081	9.823	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1ccccc1Cl	408724634	GOFHKTOWKKGOPN-JAJCKILOSA-N	519.867	6.357	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1Cl	408727209	QKAVEOZIDWLAOI-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(I)c(OC)c2)cc1Br	408747607	QGXLGTNPCIRETD-YVNNLAQVSA-N	594.041	5.154	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccccc1	408783318	MQIUTANUNAERAT-BIZUNTBRSA-N	542.060	6.300	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408786013	DWRJMDLAUHLKSS-MFOYZWKCSA-N	597.378	6.399	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(I)cc1	408792095	HSYSGLOQHZVYQE-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1	408793805	GQEAKEKQGXNSJW-CIAFOILYSA-N	563.351	5.074	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1	408796501	OYSQAWUYXKTCJK-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408798293	VOYHDTCGGNOVTE-RQZCQDPDSA-N	637.655	6.530	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1F	408809892	IDICZHYDNXLCKZ-STZFKDTASA-N	501.355	6.866	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408813710	OTLPOPHMRWMFKN-OYKKKHCWSA-N	561.432	5.687	50	40	KKGB	
Cc1ccn2c(C(=O)N/N=C\c3ccc(CN(Cc4ccc(Cl)cc4)S(=O)(=O)c4ccc(Cl)cc4)o3)c(C)nc2c1	408823458	DJFYXRORHHUPCP-ZMGVVAQMSA-N	610.523	6.006	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408823731	FZZDRXPYRHYGPX-OEAKJJBVSA-N	608.319	8.460	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408827918	HXMXKGMDMXXJBN-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(C)ccc3OC)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408837261	BCBWOLOKVZSECR-BIZUNTBRSA-N	589.670	5.094	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1cccc(F)c1	408842300	IVDKIBCBDYVTHP-IZYHBKOJSA-N	706.581	8.347	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccccc1Cl	408845673	LHDQBMDYHUIYCX-MNDYBZJGSA-N	553.840	6.929	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(I)cc1	408847406	VCNOKNNYLMOZAP-WGARJPEWSA-N	526.330	5.389	50	40	KKGB	
Cc1c(Br)c(/C=N\NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1ccc(Br)cc1	408857180	NMPVSLCWYFIUKG-ZMFRSBBQSA-N	548.279	5.214	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(I)c1)c1cc2ccccc2o1	408857385	UQIPPVNBKKZKPG-ZMFRSBBQSA-N	575.200	6.143	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1ccc(F)cc1	408857419	NZQZBBJUBOJELF-SRZZPIQSSA-N	569.427	5.806	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(C)c(Cl)c2)cc1	408863417	NZDLRTKKVAHXGM-VTNSRFBWSA-N	627.992	6.472	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408864534	XARJIVMTVPXOHP-QNKGDIEWSA-N	594.649	5.673	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	408885471	AKZGLTDULNCOPC-YBFXNURJSA-N	520.339	5.739	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccccc1C	408885764	AKBHOEMIOLESAJ-LGJNPRDNSA-N	532.232	5.872	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccccc1Cl	408894713	IUVVKASTDZQCLA-XDHOZWIPSA-N	507.930	5.780	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OC(=O)c1cccc2ccccc12	408897121	VVWNVJQHXCVYKD-RUMWWMSVSA-N	503.558	6.012	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccccc3)ccc3ccccc23)c(OC)c1	408955706	OZMMEUMQYNRRII-PSKHIPHFSA-N	622.678	5.148	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1	408969881	WFNRSXKXWBWDLQ-MLCSCPQYSA-N	644.994	6.449	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	408970626	JKSJABVSLQRBES-RIDWNQMISA-N	594.451	5.597	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408982397	XUQMYEDMYLWTPB-IADOGKPESA-N	592.117	5.796	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	408984380	QHPVFHMHFDIQCZ-PXNMLYILSA-N	568.795	5.139	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)cc2)cc1	408996377	DGUNPDGCQBWBDN-APTWKGOFSA-N	649.567	5.116	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)Cc2c(F)cccc2Cl)cc1	409057072	ILDGHYOTWGLMRK-KVSWJAHQSA-N	542.847	5.436	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409069438	KVIZGSCNJNGJPR-LFIBNONCSA-N	640.737	6.577	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)c(C)c1	409093408	ZTGOJQGNSKCKLS-LZYBPNLTSA-N	639.222	8.093	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409212050	PMPFLTIMJRBPJU-UVHMKAGCSA-N	518.422	5.262	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409225752	OOIRDPXBBKUMRS-UHFFFAOYSA-N	602.987	5.501	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409227042	OKAYSEPFEKZIML-WCEBZYJUSA-N	525.830	6.474	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)c1	409252386	DLQIGCSIKJADAG-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)cc(Br)c4OCC(=O)Nc4ccc(C)cc4C)cc3)cs2)cc1	409255509	LIOREOYNYCIPGQ-ADJDCTSUSA-N	747.513	8.785	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5cc(C)ccc5C)cc4)cc3)cs2)cc1	409256665	MUGZXJDZPQAWFT-KMUKQRDJSA-N	589.721	7.260	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1	409257143	QZINDIJGSYDOQW-OJYCWLPVSA-N	605.720	7.042	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409258175	RUBPIQNHLFQGOV-UDWIEESQSA-N	538.431	6.572	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1	409260534	RRDZKRLYHRWIIU-JAIQZWGSSA-N	508.405	6.482	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409263800	OIBSKSAYSTTZEC-VHFSBPNMSA-N	640.165	7.614	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409266640	XQECCPRJYCEPNK-CXUHLZMHSA-N	623.223	6.794	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409269057	DJNOJGPJQBZTMB-ODLFYWEKSA-N	554.430	6.272	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OC	409318681	XPDYQRUQTNLENE-UHBFCERESA-N	529.420	6.308	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3CC)NC(=O)[C@H]2C(=O)OC)cc1Cl	409323688	PDCNWWDRDKQPLF-YADHBBJMSA-N	655.398	6.135	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1OCC	409335589	PFWOLNXWUPKHCQ-RHANQZHGSA-N	554.441	5.418	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	409364517	PXPMDGBKZJUDPR-MBTHVWNTSA-N	515.835	5.945	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409372703	HBVAGLSSRJZFFE-ATZGPIRCSA-N	712.325	7.554	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	409373451	SVAOHZGTZAENQG-FDVSRXAVSA-N	508.361	6.327	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(Br)c1OCc1ccc(Br)cc1	409392709	RKTFIDZZXDRJDT-UVHMKAGCSA-N	578.257	5.667	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)c1	409396544	YYDMUPXWVHDGSN-UHFFFAOYSA-N	690.779	8.177	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)[nH]c12	409398340	SPLNNUVBWJTPSL-UHFFFAOYSA-N	568.029	6.797	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4ccc(Cl)c(Cl)c4)ccc4ccccc34)o2)cc1	409402219	JDUPYTIKYKRPRO-FIBXFRIOSA-N	638.551	9.069	50	40	KKGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409402224	JEXSLUDHPLQBNG-LQNQUEJISA-N	548.437	6.357	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(N)=O)c(Br)c3)o2)cc1	409405682	UNEMFYMKHPTLBD-AAPHRLRXSA-N	599.869	5.310	50	40	KKGB	
O=C(CNC(=O)[C@@H](CSSC[C@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1)Cc1ccccc1)OCc1ccccc1	504065291	SHIRAPUEIHEARH-AQOUDTPCSA-N	684.880	5.805	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1	1529548189	YTRFPGFRCZQHED-DMFIQNIRSA-N	641.577	5.766	50	40	KKGB	
CCOc1cc(/C=N/c2cc(Br)c(O)c(Br)c2)ccc1N(CCCl)CCCl	1707132	YLCOIIFPKFBMCX-WYMPLXKRSA-N	539.095	6.351	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)n2-c2ccc(Cl)cc2)cc1	1749800	WDOVZTAFMJXXJV-XODNFHPESA-N	530.868	6.445	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3c[nH]c4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1788268	WCWMCNOICZSORO-KCSSXMTESA-N	522.678	6.264	50	40	KKGB	
COc1cc([C@@H]2CC(O)=NC(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)=C2C#N)ccc1OCc1ccccc1	1810332	HYTIIJCSBUVIMS-NDEPHWFRSA-N	591.689	7.617	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CC(C)(C)C3)cc1OC	2188802	YTIPOPWTVVLZGD-AREMUKBSSA-N	528.678	5.847	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccc(Cl)cc1Cl	2302245	DTJKCZAQJIISAR-KBKYJPHKSA-N	509.187	5.502	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1	3081263	CFQVOXJKQBJLQA-YSURURNPSA-N	556.594	5.206	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1cccc(O)c1	6156906	QAUCBQGLUXPVKP-QQXSKIMKSA-N	522.428	5.035	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccco1	12250149	VGBJUZRZKLPUHL-HHHXNRCGSA-N	526.662	6.165	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	20232141	WUGQSXLQDHEDGR-OGLMXYFKSA-N	525.696	5.078	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1ccccc1Br	20761083	LDNJLPMCCBMGNL-LGJNPRDNSA-N	511.217	5.979	50	40	KKGB	
COc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)o2)cc1	72332829	GPHBSTSRDQGXKM-MFMCTBQISA-N	624.701	5.755	50	40	KKGB	biogenic
CCCCCCCCCCCCCCCC(=O)NC[C@H](CO[P@@](=O)(O)OCCBr)OC	77293279	SXNZFJCEFUIPNB-OAQYLSRUSA-N	530.481	6.127	50	40	KKGB	in-vitro
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(/C)c3ccc(C4CCCCC4)cc3)cc2)cc1	96399173	SHQJYWIDWUQBPG-OFWBYEQRSA-N	519.667	6.088	50	40	KKGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	97962684	JBWASXDAMLNDMX-KPGMTVGESA-N	626.276	6.766	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965725	LTYXNIWODGNAKY-OOEWDAAOSA-N	518.216	5.919	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccccc1OC(=O)c1ccco1	100039524	TUSLAFXJHBENIY-YSURURNPSA-N	601.045	5.315	50	40	KKGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1	100238568	PIFVFVQKUVEZTC-IONSAMEVSA-N	555.469	5.789	50	40	KKGB	
Cc1ccc(-c2nc(SCC(=O)c3ccccc3)c([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(=O)[nH]2)cc1	101022456	PIBQDOCBICOGJK-UHFFFAOYSA-O	597.700	6.340	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1	101246352	JYWGNKJYLZWPPM-OKBUYZRPSA-N	536.484	6.984	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1	102611793	KARFIRCLNVNLTP-RUZDIDTESA-N	535.069	6.576	50	40	KKGB	
Cc1cccc(C(C)C)c1NC(=O)CS/C(Nc1ccc(F)cc1F)=C(\C#N)c1nc2ccccc2s1	102931721	NMMMWEASUFRUMV-NHFJDJAPSA-N	534.657	7.683	50	40	KKGB	
C[P@](=O)(Cl)N[P@@]1(Cl)=N[P@](Cl)(N[P@](C)(=O)Cl)=NP(Cl)(Cl)=N1	103449426	SBQOCTGVBJDWIO-PIKOESSRSA-N	501.707	8.096	50	40	KKGB	
ClP1(Cl)=N[P@](Cl)(N2CCCCC2)=NP(Cl)(Cl)=N[P@](Cl)(N2CCCCC2)=N1	104382651	KRFYFVOLLQYCOH-WMPKNSHKSA-N	560.926	10.189	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1cccc2ccccc12	108950409	QUCYYEIGBIJJKG-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	150370555	XWNSVGZCTKLBBJ-CHSHITCJSA-N	652.094	7.437	50	40	KKGB	
CCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCC	150382840	LZSNHQOLTDNQCS-VRESAINUSA-N	680.691	9.706	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	150427422	WWQUKVRKPRIJJB-ZRGSRPPYSA-N	720.099	5.838	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	164583499	BCMPIAVYIAYWGC-GESPGMLMSA-N	630.120	6.388	50	40	KKGB	
CCOC(=O)CCC(=O)[C@H](Br)[C@H](Br)[C@H](Br)[C@@H](Br)c1ccccc1	245239771	MEGLECGKMOXAKM-JONQDZQNSA-N	577.933	5.326	50	40	KKGB	
CCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1)OO	299817256	PJEDIANARLMFBK-HILCDPDVSA-N	681.099	13.221	50	40	KKGB	in-vitro
CCCCCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408536831	BHQPTNQLEPDPEY-DPNNOFEESA-N	597.568	8.592	50	40	KKGB	
COc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2)ccc1OCc1ccccc1	408537959	IOQOPLRVJPPGPM-MTDXEUNCSA-N	518.613	7.016	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550755	JPMCNMNJXDZZAF-RQZCQDPDSA-N	615.322	7.287	50	40	KKGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC	408555351	XEKXQENEUSCBJS-MHWRWJLKSA-N	510.413	5.217	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Br)cc1	408603337	GLDPKDHFUWPMTP-SFHVURJKSA-N	542.405	5.062	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(N5CCOCC5)cc4)cc3)[nH]c2cc1C	408603347	FXDPGFWECKUXBS-HAVVHWLPSA-N	507.594	5.098	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408646726	UHAKSWKGSNHFKB-FQEVSTJZSA-N	560.777	5.435	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408649100	XLBILLSECYNSDT-MKXGPGLRSA-N	661.572	5.265	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408649522	LCPPCROOCAJJHR-XMWSTLINSA-N	742.333	5.313	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)NNC(=O)c1ccccc1Cl	408673099	YQGGJKDGBIGDAC-UHFFFAOYSA-N	578.836	5.552	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)[C@@H](Br)c3cccc([N+](=O)[O-])c3)cc2)cc1	408674219	YHZSHHHUQGEBQI-XTEPFMGCSA-N	587.426	6.700	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408726680	UVIXZHLOXVWAPD-GRSHGNNSSA-N	560.275	7.588	50	40	KKGB	
C[C@@]1(C(=O)N/N=C(\COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc2)NC2(CCCCC2)Cc2ccccc21	408734004	CEAVAUGWNHFXFW-KCBAADIKSA-N	601.835	7.818	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408757830	CTSLTTXYWKBJCL-IUXPMGMMSA-N	580.693	7.933	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408763316	OYSXCXPMBCGUSM-XDHOZWIPSA-N	608.426	5.832	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408765729	XLFBHRSTYPISHN-APSNUPSMSA-N	609.087	7.238	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1	408766127	PDOZAZDMHYDNPI-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc2ccccc2c1	408787529	BIJYBDRHXOMRQO-FSJBWODESA-N	608.863	7.540	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408792256	ABKWLMTVEHSTQX-RGVLZGJSSA-N	536.382	6.107	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408793616	FWIFSSFDUDEVJM-CAOOACKPSA-N	542.773	6.144	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1	408795164	LJKPUQJWKXGGDH-SRZZPIQSSA-N	703.274	6.069	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1Cl	408795694	VXQOFICGRBNEJS-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1Cl	408798603	VYQZXNILFZQVPX-WOJGMQOQSA-N	511.759	5.925	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1	408801214	SJGOGPHACNZTNP-RQZCQDPDSA-N	532.221	6.889	50	40	KKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1Br	408827014	MAJVYVSCSGXZHJ-XSFVSMFZSA-N	570.281	7.125	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408830117	RFWMOKRDWRIWFM-FADJLKOXSA-N	593.705	6.081	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Br)cc4)cc3)cc2Br)cc1	408832033	QXDCIKSANBKYDR-PCLIKHOPSA-N	632.352	8.224	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1cccc(C)c1	408832057	QZLRKHVVGNHHFT-AFUMVMLFSA-N	713.399	9.009	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408837676	LBAWYGYIOXBXFE-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(C)cc1	408840636	ZQQQERVNIHFHJP-IZYHBKOJSA-N	646.552	8.151	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408841572	LKQDXROMUKWQHR-NKZWWHGNSA-N	533.875	6.321	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408842730	CHIPDEQBZAYQPS-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408848143	POUDHUIAXMEGNF-MIXAMLLLSA-N	549.412	6.220	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408864554	XFTLPQXTQURHQA-QXUDOOCXSA-N	666.594	6.089	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCc1ccccc1	408877413	VSWYCPIDGVKLRE-QEBZGVETSA-N	518.395	5.155	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccccc1Cl	408884623	ZYCZUXFXSQANGO-HMMYKYKNSA-N	517.810	7.380	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)o1	408887142	OIKLUMUPJUGOEO-JLHYYAGUSA-N	515.263	5.014	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])cc2Cl)cc1	408891286	OCSJOJBPFVQGOT-GZTJUZNOSA-N	507.886	5.030	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408896439	YNNOKCKWXLXXEM-FDAWAROLSA-N	635.427	5.843	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)ccc1Br	408904168	FVFOEZUEWWHCOB-BCHBDCPOSA-N	630.562	7.671	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)ccc1Br	408905573	ZJHQJMZRGHOAKV-ROTLSHHCSA-N	562.218	6.163	50	40	KKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1	408914884	ZKCDZYRIJVFWCN-PPOKSSTKSA-N	500.598	6.113	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	408924204	LYUWFNWKJZBVAS-XQNSMLJCSA-N	556.971	8.790	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2)cc1	408924943	PRLKTUCKVRPBPD-SFQUDFHCSA-N	530.389	5.265	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408934348	CBBIJTIPXKMARF-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccccc2F)ccc2ccccc12	408941593	DXXMDMXXHAOCSF-JGCGQSQUSA-N	626.710	5.443	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1cccc2ccccc12	408963641	DALWBCBNCHWTGI-FJEPWZHXSA-N	621.387	6.450	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408973396	YULIDTPVPFFGCK-KYQJZERDSA-N	583.310	5.216	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCC#N	408984581	SABKQDDSEZCWHW-OQLLNIDSSA-N	521.742	5.100	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408990628	LDRSHDCAJGHHLU-RZSCPVCMSA-N	758.879	6.596	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(Br)cc1	409003784	UWACTDUHRMQORC-HNSNBQBZSA-N	616.468	6.092	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1	409003823	VGFPQWIBRZGDNQ-HNSNBQBZSA-N	556.018	6.283	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccccc2O)cc1	409006867	RKWNATPHDXEAOW-BWCSIPSESA-N	520.541	5.303	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409007719	ZDWVBTUXTWLASJ-CCVNUDIWSA-N	554.883	5.387	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1	409014426	PPDNWZUKYOCMCU-NEUCNJIWSA-N	605.647	5.892	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	409048545	RUGRNFBZDYAFJD-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1nc2ccccc2[nH]1	409057487	PDXBIJPFJDQEBQ-VIZOYTHASA-N	578.091	8.038	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	409127989	DJGVUSUGROWJKZ-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
Cc1ccc(COc2c(Br)cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2Br)cc1	409138498	CTBMESMZMSMHJC-NRFANRHFSA-N	544.243	5.914	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409140269	QVXXCLLRXQAYMS-VWLOTQADSA-N	629.393	6.482	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl	409168067	LCLMVUNMLQXMEN-VPUKRXIYSA-N	584.243	5.415	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(I)c1OCc1ccc(Cl)cc1Cl	409177092	AIQIBBDZZMXBRC-KVSWJAHQSA-N	644.249	6.256	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409192406	WWGABOOZUFENID-IBBHUPRXSA-N	526.851	7.397	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(/C=N\NC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-]	409219278	KSPSJOGRJDZMGY-IDQCTPKCSA-N	528.746	5.393	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409233257	UKPRABYRNJIWCO-IMRQLAEWSA-N	558.509	7.636	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	409250416	LISFFHUXSUYSPT-OJYCWLPVSA-N	693.538	6.449	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409253307	AXARMFOVHYHELM-IDWIKUEFSA-N	595.696	6.461	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br	409265526	SZNIRTKYDQPLHQ-WOJGMQOQSA-N	569.253	6.083	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)cc1OC	409323172	OIASMZOAYPUUKB-MNDYBZJGSA-N	598.291	6.725	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCc3ccc(Cl)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409326010	FOFPZNZKOUPRFF-RBUKOAKNSA-N	560.286	6.370	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(I)c1OCc1ccccc1Cl	409348094	PBISMIIIEQJMKR-VFLNYLIXSA-N	581.813	5.624	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409371215	BOZSXUVCMRYTSB-GRSHGNNSSA-N	580.382	6.426	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	409373026	PLGVGRUMZILQLP-WKIKZPBSSA-N	527.762	5.154	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	409374060	XUKDRCDEYOUUHF-LGJNPRDNSA-N	515.816	6.772	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccccc1F	409381711	MXJDDUMOWIJYNB-QNVXDBMFSA-N	678.971	7.890	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)n1	409386479	LUKOZCQOHMKOJR-SRZZPIQSSA-N	659.265	6.689	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccccc1	409394406	ABEOWUPAMSVUIP-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccccc1Cl	409395305	MCHYWIXBRDVYRL-UHFFFAOYSA-N	676.181	9.194	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409396147	WSGUUWDWGXWENL-UHFFFAOYSA-N	765.083	9.412	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)cc(OC)c1OC	409396228	XEYXFOKMIXXTOT-UHFFFAOYSA-N	658.505	6.615	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Br)cc4c3-c3ccccc3Cl)cc2OC)c1	409397317	IPRNDZXBMIVRIK-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397459	KCPMCYRNHJQUAC-UHFFFAOYSA-N	593.437	6.461	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409398091	QKIWSQMKMVAOET-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409398344	SQXGWWNNPOOKAK-UHFFFAOYSA-N	705.314	8.915	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1O[C@H](C)CC	409400042	BDAHKDAWFRIVGK-QUFIRZMCSA-N	608.533	7.369	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)O	409400251	CHFDHCIRKMWDQV-AAPHRLRXSA-N	675.330	6.027	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409400372	PMLTYFLJFMWKCE-AEUUOICLSA-N	629.069	7.179	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3cccc(C(=O)O)c3)o2)cc1	409403445	MZJMSLGJFMMNKR-AEUUOICLSA-N	598.055	6.961	50	40	KKGB	
CC(=O)Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409406621	XHSJXBQMUDHGPZ-CAQPMQTCSA-N	521.573	6.109	50	40	KKGB	
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@H]2OC	504321951	KASDHRXLYQOAKZ-GMLPNPHJSA-N	810.466	5.719	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	1529546916	IEACYYRXVFOGKI-PDQWDMBESA-N	783.472	6.071	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(OC)c1	1529547561	MFQRWKAXPGXMBH-MWKDUONYSA-N	749.027	5.417	50	40	KKGB	
COc1c(Br)cc(/N=C/c2ccc(N(CCCl)CCCl)cc2C)cc1Br	1707133	XBADGLHMYOIWPY-WYMPLXKRSA-N	523.096	6.563	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)c(OC)c1	1831229	XTSOKACQEPWAHF-RWPZCVJISA-N	522.030	5.156	50	40	KKGB	
O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	2649999	PSLPILJUWPGNAB-UXHLAJHPSA-N	529.021	6.053	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2)cc1	6167461	POXJWEQJCHSVRT-HOLWZMPHSA-N	591.730	6.152	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	6445665	SQGCIXUYPNCNFP-ZHYCKYNOSA-N	561.041	5.189	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccccc2)N1	8934475	NJUNVYBSKXXIBJ-SANMLTNESA-N	500.023	6.291	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)sc(C(C)=O)c1C	13751959	BWPRMVIKTMTPLL-GDNBJRDFSA-N	516.442	6.298	50	40	KKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1Cl	15162377	WZIFAZYRRBJABZ-XQSTZTPFSA-N	500.002	5.117	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(Cl)cc2)cc1	20060880	PILUQTJTPDOVAT-UHFFFAOYSA-N	534.122	6.321	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)c1cccc([N+](=O)[O-])c1	33828334	YANACIOROGRJIG-ZDLGFXPLSA-N	500.267	5.982	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccccc2)c1	59472961	FSXOUCXIBLKBMR-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	59472979	OAAOOVXRKDRVLZ-NJZRLIGZSA-N	527.646	5.553	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	59647399	ODUDBRGBWNWESU-KVQDIILNSA-N	582.726	6.106	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1	60028447	VGKQCSLUFVSQBK-URNHUXSQSA-N	600.311	5.207	50	40	KKGB	
CCCCCCCCCCCCCCCc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)c(O)c1	95101134	QJTSAMARKTWTIU-GZZLJNBRSA-N	541.201	9.658	50	40	KKGB	
O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31)N/N=C\c1cccc(Br)c1	97951529	IDBFEIHMCPENMX-IGGWZVJDSA-N	533.514	6.295	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCCOc1ccc(C)c(C)c1	97959099	OINOBYZXKZKQHY-OEAKJJBVSA-N	552.465	7.004	50	40	KKGB	
O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc(Br)c1	97961870	RKFCEYDOKBYITQ-APLRVFJTSA-N	518.161	5.187	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	98048893	QIRPXDUYXOJZAS-RUZDIDTESA-N	566.605	6.622	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	100062824	OEPGSBKRISZIMM-WKIKZPBSSA-N	522.226	6.036	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	100063275	IQVNHIIQTAAECR-UVHMKAGCSA-N	522.226	6.036	50	40	KKGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	100231628	YFWOQBGFDUWONH-CQVMLNPFSA-N	564.085	5.819	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(Cl)c1Cl	100403444	QDEMXHTTZZWRJN-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(=O)OCCOC)c1C	101052846	GVWCYAKQZORAMN-LGMDPLHJSA-N	527.624	5.145	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Br)cc2)nc2ccc(Br)cc12	101094364	BBPNFVWKNRUKCN-UHFFFAOYSA-N	528.156	6.554	50	40	KKGB	
Cc1c(Br)c(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1	103842349	RUZURZQANNWZAB-GATIEOLUSA-N	539.655	5.802	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)cc1Cl	103884210	ODYQWJGVKUTSPB-HMAPJEAMSA-N	615.355	6.989	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	103890347	TYKQDVLRKWWBDK-WJDWOHSUSA-N	515.227	7.849	50	40	KKGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Oc5ccc(-c6ccccc6)cc5)cc4)[C@@H]13)[C@H]2Br	139153201	QYASYLFDRYMFPE-QRCODTGVSA-N	504.380	5.655	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)CCCCCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	150476462	XVCLCVIGELIOOK-HGBPROFESA-N	639.610	5.688	50	40	KKGB	
C[C@]12[C@@H](c3ccccc3)C[C@@](C#N)(O[Si](C)(C)C)[C@]1(C)[C@H](c1ccccc1)C[C@]2(C#N)O[Si](C)(C)C	169809299	LRHBAWMZMYGFDN-SQFXDPOMSA-N	516.834	7.602	50	40	KKGB	
CC1=C(C[Si](C)(C)C)C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2C(=O)N(C(=O)c3ccccc3)[C@@H](Cc3ccccc3)[C@H]12	195752380	BHVMHEAMWPWEGB-SPQIZYAFSA-N	575.942	8.209	50	40	KKGB	
O=C(Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1S2)NNC(=S)Nc1ccccc1	245229197	QEBFEUMRSIGSBS-LOUMZVKCSA-N	557.166	5.233	50	40	KKGB	
O=C(NNc1ccccc1OCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408612759	YQGHIGIEOAEUOG-KRWDZBQOSA-N	514.807	5.178	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1ccc(Cl)cc1	408613139	ZKIQIZJATBDCFV-NRFANRHFSA-N	508.018	5.376	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408666963	ARVMZFQNFIKICF-VQHPVUNQSA-N	570.665	5.027	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408672559	NSXQCOLTQUUNMV-ZYGGUILKSA-N	554.666	5.327	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408675983	DBFCDDZHGMVQGI-FDAWAROLSA-N	579.495	5.538	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408680799	GSKIVNKDPRSPTO-YVSFHVDLSA-N	589.111	5.473	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408681331	HSRRTOAEKYHXDV-YEYGNOCGSA-N	601.122	5.329	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408726539	UAXDLLIPGXWYRH-WQRHYEAKSA-N	538.354	5.499	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1Br	408749666	IJWDSMRAUIHRTH-MIXAMLLLSA-N	502.412	5.243	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl	408766567	VNEISNXQXJMPIX-FOWTUZBSSA-N	500.769	6.210	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1cccc(C)c1	408787638	CZUMKQGHOAVNAM-OEAKJJBVSA-N	566.439	6.685	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccccc1	408790575	WYRTZCDYRNEWPN-RGVLZGJSSA-N	572.830	6.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408791340	WEERLIIOBISNRE-CIAFOILYSA-N	626.403	5.299	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1F	408792117	ICKXGRDSKLXOSP-RQZCQDPDSA-N	526.318	5.630	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408792392	AZVZUXVTYQIUJR-GIDUJCDVSA-N	693.081	7.466	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1C	408794779	KAEPJVXZAPWINW-YDZHTSKRSA-N	637.315	7.948	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408800413	PBIJZJUPDISJDI-MTDXEUNCSA-N	589.091	8.514	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12	408803568	QPGBPRKLHQQNGX-XSFVSMFZSA-N	521.831	8.233	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccccc1C#N	408816144	KOZXHZMRUSWQKS-GRSHGNNSSA-N	506.331	5.593	50	40	KKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408818525	XDDGIDYIKHLGFF-FLYOJIJBSA-N	532.276	6.392	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408820253	WEHSKTJOPRFDJF-GRSHGNNSSA-N	635.150	6.785	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1	408826880	LPQOKIZVKXUQKQ-MUFRIFMGSA-N	542.444	5.741	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	408827417	JPBCBFZQMKGPIA-XJECJHNESA-N	617.093	6.729	50	40	KKGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408827421	HFVHKEVCCVWFFF-LCYFTJDESA-N	510.786	5.264	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408831958	HXGUBQATHAPNBB-ZMOGYAJESA-N	607.921	8.668	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(F)cc1	408835022	XSTJKDKRSMVIPC-OEAKJJBVSA-N	577.439	7.845	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5cccc6ccccc56)c(I)c4)cc3)cs2)cc1	408841893	INBMQABTWVNTPV-OEPDXVHDSA-N	820.494	9.567	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(C)cc1	408854793	BJNSGEMHVXDNSA-QDTIIGTASA-N	619.253	6.460	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1Cc1cc(C)cc(C)c1	408868900	PVBNSWUBFSLHLT-FSJBWODESA-N	550.440	6.670	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1	408871086	XSKLSZUSEHXNNO-CIAFOILYSA-N	523.858	7.255	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1	408883116	RKGOSVODKKLBAR-YBFXNURJSA-N	522.355	5.799	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OC(=O)c1ccccc1	408887695	SMQYNTQJLFTYPU-CXUHLZMHSA-N	593.204	6.371	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc(Cl)c(Cl)c1	408887709	SOOQLGPYYVVEHU-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Br)c2)cc1	408887774	UBAYVKMWTDGJNN-LQKURTRISA-N	503.352	5.594	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OC(=O)c1ccc(OC)cc1	408889164	AJOIUXHSPGZEEN-WOJGMQOQSA-N	613.364	5.372	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(Cl)cc1	408890750	YPPXCHVOERJXHZ-OKCVXOCRSA-N	537.841	6.997	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OS(=O)(=O)c1ccc(C)cc1	408892983	DRDBBKKHUAPPSC-SFQUDFHCSA-N	517.390	5.624	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(Cl)cc1	408901077	ZXDRBTNSHUZKJF-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c1OCc1ccc(Cl)cc1Cl	408922868	HCLFYFKEFKPNEI-LICLKQGHSA-N	579.221	6.731	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)c(OC)c1	408957596	VFDQOISFNASHAA-OLDUKCEXSA-N	807.436	5.370	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408961149	ASDRODHRGVVVEV-KVAAJVFYSA-N	516.523	6.328	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2I)c1	408965978	YFPXJZKATSBDMD-XKJRVUDJSA-N	664.203	6.566	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1Cl	408966311	ZNHRXLQIYSYNOB-VVEOGCPPSA-N	602.778	6.705	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)cc2)c(C)c1	408994944	JWRLNDWRILMSOT-STZFKDTASA-N	508.359	6.033	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409004746	BSLBDFPNPXQBFS-LALXJTNGSA-N	608.783	6.750	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409019358	REPMNHOJAHSSQS-YNFMAFFXSA-N	697.698	6.206	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cc(Cl)cc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(C)cc1	409019599	JYDZYZAJKZEIFP-ULPWCQAASA-N	550.826	5.510	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409019628	KAIXSXLWMMDPQH-VROXFSQNSA-N	681.062	5.742	50	40	KKGB	
O=C(N/N=C/c1ccccc1Br)c1cc2cc(Br)cc(I)c2o1	409020630	RIBRNRQCZJCGPD-DNTJNYDQSA-N	547.972	5.326	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCc1ccccc1F	409031082	GHUMBGUSAZEVAR-GKVNEZTPSA-N	559.641	7.511	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1	409044744	DACNZNUIUBPOJE-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409064647	DCPNAGZKHSELSR-HMMYKYKNSA-N	557.455	6.434	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1cccc2ccccc12	409136054	WIBPRLNLCCNHSI-MHZLTWQESA-N	605.476	6.152	50	40	KKGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1cccc(OCc2ccccc2Cl)c1	409153305	MQZTYERLVIDLGR-LQKURTRISA-N	528.834	5.941	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(Cl)cc2Cl)c(OCC)c1	409153471	IDVURXZYNSBPPK-XAZZYMPDSA-N	699.329	5.502	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1	409153798	MXWLHMWLJZWMMJ-XAZZYMPDSA-N	636.330	5.823	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409183411	CCBUXJAHZXROOH-XICOUIIWSA-N	565.739	6.377	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	409186012	VADJSOCDBDRWEH-MWBNBJEGSA-N	685.040	6.961	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cccc1[N+](=O)[O-]	409223637	IZLPDXYPKREYTO-CAQPMQTCSA-N	586.988	5.421	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)c1ccccc1O	409226862	WBBCHRDTXUJJJN-HXCXGEGBSA-N	582.443	5.666	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409246743	AVOGASUVELBHLL-SYERDGIWSA-N	552.400	5.399	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409271444	LAEQMXOMGJOJCI-KOKCXWAISA-N	654.192	8.004	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)c(C)c1	409272271	PLPGCBLNBNVUCS-LPYMAVHISA-N	532.438	6.246	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	409313716	CWZMNCVOBBQLDR-CPDSRJINSA-N	560.434	5.499	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409315796	JVVITMXYECAXPI-KVSWJAHQSA-N	601.122	7.260	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OC	409316201	PKUOCTFNLJORSC-LQNQUEJISA-N	540.016	5.318	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OCc1ccc(Br)cc1	409360174	MBCRUNPNWLZLEC-VYYCAZPPSA-N	593.259	5.643	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCc1ccc(Br)cc1	409365785	SAJPVLLQUAUFDP-MUXKCCDJSA-N	607.286	5.951	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc2ccccc12	409371366	HXZADCADAWZGGI-UUYOSTAYSA-N	562.363	7.004	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409381938	IJFBHEHCXMWLAF-PDGQHHTCSA-N	523.948	5.450	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl	409393238	WHFNCVCZMHYQCG-ROPCREHHSA-N	601.328	7.449	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)[nH]c2c1	409393573	YPVJZQYZUIHZEM-QNGOZBTKSA-N	521.602	7.103	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)cc1	409394421	AFHOQYWSXWRXTE-UHFFFAOYSA-N	791.665	8.909	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)cc1	409394705	DWDWHQNTEDOQRY-UHFFFAOYSA-N	693.823	8.922	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cccc4c3-c3ccccc3)cc2OCC)cc1OCC	409396386	OWZIYIBOYZNFSG-UHFFFAOYSA-N	605.691	7.323	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)c1	409397107	GGSKBOKXSJEFIM-UHFFFAOYSA-N	503.558	6.135	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397671	MPSZDDVMJIILRE-UHFFFAOYSA-N	533.584	6.144	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397784	OAILKVCGDWWZLP-UHFFFAOYSA-N	606.893	8.177	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	1093577	PDCDZCCIIILGSC-YDZHTSKRSA-N	525.406	5.647	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c(OC)c1	1898964	VHSJNEOUTLRKMT-KCSSXMTESA-N	573.719	5.808	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1	2888372	BODDXCYPGABUOO-YDYXIROLSA-N	597.332	5.954	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1SSc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl	3919213	SUXMNCJNEVPTAT-KXJQYHRCSA-N	648.424	8.627	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1	8694199	QHTLQJHPEPBQMB-UHFFFAOYSA-N	561.590	7.551	50	40	KKGB	
CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NN(c1ccccc1)c1ccccc1	12660259	LJDJHYHISCPTMX-TUJPHXBKSA-N	504.715	7.289	50	40	KKGB	biogenic
Cc1cc(N(CCCl)CCCl)ccc1C1N(Cc2ccc(N(C)C)cc2)CCCN1Cc1ccc(N(C)C)cc1	19325688	XLBCXZQJEFWFAS-UHFFFAOYSA-N	582.664	6.818	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1C	20232540	ZANFEQKWOYHBFZ-WKULSOCRSA-N	503.546	5.052	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(C)c3)nc3sc4c(c3c2=O)CCCC4)cc1	32577042	LJXXDHGYRKFJSG-MBTHVWNTSA-N	502.665	5.185	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(Cl)cc1Cl	58853757	HEMDCUKRRYASMJ-IBBHUPRXSA-N	520.485	7.354	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	59652651	COWFHNOQMKGPTR-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
O=C1OC2(c3ccc(N=C=S)cc31)c1cc3c4c(c1Oc1c2cc2c5c1CCCN5CCC2)CCCN4CCC3	76945800	SGAOZXGJGQEBHA-UHFFFAOYSA-N	547.680	6.387	50	40	KKGB	in-vitro
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	97939498	AKGUBDZGYBJIFJ-UHBFCERESA-N	563.083	6.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	97957822	XEKNQOJOXGYVDM-KCSSXMTESA-N	549.410	5.607	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(Cl)cc3Cl)=C(C)N2)cc1	98048627	UKHIHEBVNZIBCU-RUZDIDTESA-N	569.470	6.302	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl	100117782	FOGXWAGGWQKWKS-WCMJOSRZSA-N	535.431	6.069	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1	100990581	PVNZHLXAHZUILX-FYAMCCBRSA-N	532.463	5.500	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1I	101621218	JELNUKNCMKGBBP-RIYZIHGNSA-N	558.157	5.149	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	101709703	GDQFGBSOHCTLQO-FZPRHHONSA-N	567.443	6.817	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)[C@H]1c1ccc(C)cc1	102807699	XPPLRGAOBDQKKQ-AREMUKBSSA-N	573.512	6.770	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)cc2)cc1	103900755	XHJJMXXZTJRHDC-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)c1	105585464	WTPKKLIVYYLTIL-FADJLKOXSA-N	609.704	5.782	50	40	KKGB	
Oc1c(Cl)cc(Cl)cc1C1N(Cc2ccc(N(CCCl)CCCl)cc2Cl)CCCN1Cc1ccc(N(CCCl)CCCl)cc1Cl	150374440	WSOPGVFUHMSJQG-UHFFFAOYSA-N	776.291	9.981	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2cc(Cl)ccc2OCCOc2ccc(Br)cc2)s1	150384115	LNKIKBMJHUWUPC-OKCVXOCRSA-N	628.936	5.665	50	40	KKGB	
CC1=C/C(=N\NC(N)=O)[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@H](C)[C@@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	245239936	NJXPVAVICLRJJI-GZQVFTBASA-N	545.765	5.847	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C(=O)[C@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C	253617323	RBYRHDBWVSOLNG-RAAAICPRSA-N	597.587	5.650	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408532152	PUQSXXINUCJTAL-PNQUVVCRSA-N	628.345	5.368	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1	408539915	ZXLPBXGEMVLABX-IMRQLAEWSA-N	597.509	7.860	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408552393	SSAMQBOOPIEXER-CAOOACKPSA-N	572.901	7.592	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1	408553268	NIVDOGVAVANNKB-MHWRWJLKSA-N	545.220	6.319	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408647811	VREXNUUGIUATLB-OAHLLOKOSA-N	814.909	8.063	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1cccc2ccccc12	408711628	CAXVKEXHXINTHY-STBIYBPSSA-N	550.396	6.186	50	40	KKGB	
C[Si](C)(O[Si](C)(C)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	408720417	ODEFNWSIGNTPEK-UHFFFAOYSA-N	614.763	5.549	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccccc1Cl	408725264	JBDDDCCULZJDCG-BKUYFWCQSA-N	586.857	7.030	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)c1	408745066	PCZJKVMCBJBZBL-XKZIYDEJSA-N	531.837	7.689	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746617	UBGWDSXQJJSBMV-NVMNQCDNSA-N	618.656	6.703	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(SC)cc2)cc1	408786603	SSSNKAIINAPOIJ-JFLMPSFJSA-N	552.505	5.460	50	40	KKGB	
COc1c(I)cc(I)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1	408787633	CXYKEKBXGAYZFJ-LFYBBSHMSA-N	578.575	5.412	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408789358	PDYUACQAMLCXST-SRZZPIQSSA-N	643.706	7.985	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1	408802753	GXYXKZXWSJBLSF-YDZHTSKRSA-N	518.997	6.267	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	408812986	CMRIRDICBJECGG-UCMJSZAQSA-N	507.037	7.278	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)cc1	408813939	FFJKXTZJMRAWCG-NHDPSOOVSA-N	570.281	6.331	50	40	KKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1C	408819300	PVERVTQYKJXMCX-WKIKZPBSSA-N	508.372	5.462	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	408823527	DUPZABUXVITSFB-XDHOZWIPSA-N	588.829	6.477	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408828809	JNPSXXFSAYRWLR-FADJLKOXSA-N	593.705	6.081	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(C)cc2C)cc1	408831812	SETOGBZJPZRMGE-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Br)c2)c(OC)cc1Cl	408834850	XAUIKFLEZQOSON-KEBDBYFISA-N	555.856	6.861	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(Br)cc1	408843674	MSAWVBISFPYKSH-FABQOPTDSA-N	627.564	7.976	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408845453	FLEBMBYPOSNCSD-ORBVJSQLSA-N	601.122	7.184	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1F	408846238	PRONESIAIDGTFT-DBSPGSINSA-N	673.526	7.938	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408846954	RYEVNZFCSAHFOA-AABVJFSESA-N	696.852	9.075	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	408847281	SUWZQZUMCJTKOS-GATIEOLUSA-N	515.751	5.928	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)sc2c1CCCC2	408852120	IKQDPSRWMZTKNL-GKVNEZTPSA-N	604.776	7.741	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(F)cc1	408854069	WYEGOKBZYCYVJE-NVJOKUIPSA-N	576.216	6.448	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(Br)cc1OCc1ccc(Br)cc1	408859062	VSEOUHCWOLCKPQ-YDZHTSKRSA-N	606.314	7.888	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(C)c(Cl)c2)cc1	408860202	SZIBJLUNRAIKCL-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408860895	HMKUAIIJTNDPBU-IZYHBKOJSA-N	735.484	7.396	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408866236	GFSVDWLSROEHDK-GOJREDGKSA-N	552.118	7.138	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408879771	FKNRDRLVQIQOGN-CPNJWEJPSA-N	507.804	7.925	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OCc1ccccc1Cl	408880409	HRFRZYPNFHRGCV-LZYBPNLTSA-N	522.215	7.433	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OC	408889345	CTEAXVLBLIBHQN-NYYWCZLTSA-N	515.147	5.617	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccccc1C	408896956	VADYISZWMALQCU-MUFRIFMGSA-N	503.396	6.262	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1OCc1ccc(Br)cc1	408923103	JFECDQZQDWUMOB-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
Cc1nn(-c2ccccc2)c(O)c1/C(=N\NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1)C(F)(F)F	408949237	FDINRUUIYGZMCH-JJNGWGCYSA-N	536.554	5.674	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408958648	ZSPJZLFGXSKMGP-NAWMDJKCSA-N	846.300	6.668	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccc(C)cc1	408965509	HWZNSOHCEWNFDX-IPPBACCNSA-N	557.363	5.352	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2Br)cc1	408970218	CVZAEKIQKZEVKV-BBPOPZCVSA-N	683.430	7.288	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408970324	FZAYBHCFQFGVFT-WZIHWWEMSA-N	591.506	5.268	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	408971794	LIKGCVMSLYWSJS-CCVNUDIWSA-N	540.432	5.369	50	40	KKGB	
Cc1ccc(OCCOCCOc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)cc1C	408972051	OYXATGJOBINMBL-BUVRLJJBSA-N	539.459	6.308	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408981420	AYUPXBSNOYNCEY-NVMNQCDNSA-N	651.682	6.838	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C(\C#N)C(=O)Nc5ccccc5)cc4[N+](=O)[O-])sc3c2)cc1	408991725	OZVMGDOUWQAMAR-PXLXIMEGSA-N	591.674	7.462	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)Cc2ccccc2)cc1OC	409004037	WIHDBPMVPROVMA-APTWKGOFSA-N	588.730	5.069	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	409013499	KOGQEZPBILHPOG-FOXLIHSQSA-N	585.315	7.009	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	409025032	KIZQATWQLLULKN-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409032993	DBHXVZUUJSWSJE-ALQBTCKLSA-N	559.467	7.431	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409050602	XQCAJHJKXFXIRQ-RWPZCVJISA-N	551.466	6.487	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1nc2ccccc2o1	409050617	XVFKJNCHWQDJFB-CXUHLZMHSA-N	555.182	6.904	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)NCc1ccccc1	409072948	OARAQHSKDSAWQF-LICLKQGHSA-N	610.711	5.856	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409086240	QEERVFRESSKAGN-OQLLNIDSSA-N	597.325	6.239	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)c1	409090177	LYOJSOXDKRRMHH-OVCLIPMQSA-N	602.195	6.674	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C	409161032	SQLXRRXUZRKMHU-XJECJHNESA-N	637.575	5.680	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(CC)cc3)c(OCC)c2)cc1	409169939	RIUCWOKKNCEALI-KCSSXMTESA-N	623.504	5.081	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409227390	YBTSDBCVWMHFHN-LPYMAVHISA-N	609.464	6.178	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OC)c1OCc1ccc(Cl)cc1	409234534	NNJINWUFEKENEA-CCVNUDIWSA-N	511.047	5.305	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409236229	SBGFDTRXMQIEKG-XKZIYDEJSA-N	597.409	5.443	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409259798	FPVGJUFQXAKZEK-MUXKCCDJSA-N	524.961	5.045	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409261528	CTBCKBPANSFVGZ-RODHXAHZSA-N	752.034	7.910	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)c(C)c1	409266463	WZTAFFSNZCJGKI-XDHOZWIPSA-N	538.829	6.283	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409269086	DWCGIAJNVQENNF-KMUKQRDJSA-N	626.138	7.387	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)ccc1OCc1ccccc1	409302607	JQHXQYYENAKAAQ-HWIUFGAZSA-N	588.682	5.903	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1OC	409314315	SHLHLEYIAAJXON-RHANQZHGSA-N	541.442	5.988	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409315548	JDGYFYGWGOTWOU-OALUTQOASA-N	525.841	5.717	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	409318551	WNUXTINEBYRAKQ-DXJNIWACSA-N	609.498	5.958	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	409327658	VTKRYWDXPZNICB-MNDYBZJGSA-N	544.435	5.881	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12	409373449	SUXVAMMHRKCZNF-LQNQUEJISA-N	562.420	6.181	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384894	FQYUUGLMUWVYRE-LUOAPIJWSA-N	762.161	7.124	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)cc1	409394494	BDDZOUQGNUMJAN-UHFFFAOYSA-N	649.872	7.085	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409394594	CNDUKLNSEFPBTL-UHFFFAOYSA-N	625.479	6.375	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409394655	DGXZGPTVIGIAMM-UHFFFAOYSA-N	730.638	8.759	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)cc1	409394870	GXDUWJFYIOPVOU-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409396016	VGPAHJACBUPPEF-UHFFFAOYSA-N	625.281	8.026	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409396756	ATTOESUHGCHAGI-UHFFFAOYSA-N	618.473	7.151	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1cccc(C)c1	409403826	OFXGZJIOZCOFPW-AEVGBRMKSA-N	676.995	8.342	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccccc3F)o2)cc1	409404986	RPVCXJLWPFRMMX-AEUUOICLSA-N	625.613	6.095	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cn4)c([N+](=O)[O-])c3)o2)cc1	409405894	VFSFWGNMNFGRLP-UHIZKJEFSA-N	675.452	6.796	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	1529549204	VHKPYZSRFCOYJH-GPQOJQFPSA-N	706.048	6.510	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccc(Cl)cc1	1529549390	XOQDXKNQYJGWRR-AYSITGFNSA-N	797.897	6.171	50	40	KKGB	
COc1cc(/C=C2/SC(=S)N(/C=C(\C#N)C(=O)c3ccc4ccccc4c3)C2=O)cc(OC)c1OC	1637381	BEDGHWXGQPIKKZ-GCIXRCDPSA-N	516.600	5.357	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	2670792	FCEQTFSOTUYAHR-XNTDXEJSSA-N	514.821	7.500	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(C)cc1	4196421	AJMMALWIBJQGQW-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
O=C(c1ccc(Br)cc1)[C@@H](Br)[C@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)[N+](=O)[O-]	4409358	VWWYOBLJATTWNP-ACRUOGEOSA-N	537.635	6.851	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1	8443126	KVDSJFGNBKWXND-VWLOTQADSA-N	554.697	5.978	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc2ccccc2c1	9041847	QGQVLUXFXSTCRU-FSGOGVSDSA-N	518.086	6.889	50	40	KKGB	
COc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(F)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	9471284	ASWQSJKXPJRTFM-RUZDIDTESA-N	518.570	5.134	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	19939570	UYQOXZOVAWZUCB-LJAQVGFWSA-N	522.674	6.318	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	59485090	GLOKIFCYWPULKJ-ODLFYWEKSA-N	513.775	7.053	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1	73326927	KWDCEXLAZZIETB-ROTLSHHCSA-N	529.116	5.529	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc2ccccc12	97960762	JPWDNNFUIXDJNW-HYARGMPZSA-N	545.408	7.265	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)cc2)cc1	97962510	FMRGZFSLICKENQ-YXTVXKGXSA-N	736.876	5.147	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc(Br)cc1	97962928	YIROIJBFKYYYBV-KGENOOAVSA-N	533.403	5.916	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccccc1	97985299	LEAADESUGUJCGJ-HHHXNRCGSA-N	578.616	6.421	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12	98006151	VIJCHVAGWGRBFP-SANMLTNESA-N	580.617	5.260	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCc1ccc(Br)cc1	100062271	MFPCPTNCMIWVLM-LGJNPRDNSA-N	579.232	5.714	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1	100119004	BVXRZYXVRDMYCV-FQAMYZABSA-N	587.543	6.395	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122301	PKNUCJJAOQMBNU-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)c2C)c1	100123837	GFNGLZRGOGYVTO-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100330235	YIDRUQGSYBCDRH-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)ccc1OC(C)=O	100828936	ZEMOOIKIMGBZSX-RWPZCVJISA-N	542.061	5.280	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100853207	UAXKXLHTGRXKPP-UCMJSZAQSA-N	533.701	6.936	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1cccc(Br)c1	100859779	QSENBSNJFADFED-PKAZHMFMSA-N	521.444	5.033	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1	100977482	LZMDJRDFNHDSEP-BHZNVDEZSA-N	522.457	6.621	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1F)N2	101178123	PREJUUCGALKQSW-FAOGAKCWSA-N	512.006	6.731	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3OCC)C3=C(O)CCCC3=N2)cc1	102873495	YTSMWSPHELPBQA-AREMUKBSSA-N	503.624	6.125	50	40	KKGB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2-c2ccccc2)cc1	103333143	OLOORCPETVAYLA-QNHWSJEBSA-N	586.695	7.738	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc(F)c1	103883523	ANLPILRPGAAUDN-HMAPJEAMSA-N	597.428	5.274	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)Sc1nnc(S[C@H](C)C(=O)N/N=C(\C)c2ccc3c(c2)O[C@@H](C)C3)s1)c1ccc2c(c1)O[C@H](C)C2	150362396	XOXIDXFOQLFJPV-PTAOCUTBSA-N	638.841	5.227	50	40	KKGB	
Cc1cc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N/c4ccc(S(=O)(=O)Nc5cc(C)nc(C)n5)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3OC(=O)C(Cl)Cl)cc2)nc(C)n1	150396482	XUALNUBWOUYEJQ-QQKIHNJRSA-N	959.682	9.537	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795343	NHDDLXQHNXBKIQ-NXEZZACHSA-N	830.114	10.651	50	40	KKGB	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccccc2)cc1	195798782	ORRRQZAEMCGPHS-YLRIHMPASA-N	757.964	7.745	50	40	KKGB	
CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)N=[N+]=[N-]	197005518	DFUOSUDIKSYZMW-AMGHMTOGSA-N	523.879	9.902	50	40	KKGB	in-vitro
O=C(Nc1nnc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)s1)c1cccc(C(F)(F)F)c1	255004038	KZQUGOZMDNOEQK-JCHJZTRSSA-N	569.472	5.938	50	40	KKGB	
CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C(=O)NC(=O)C[C@@H]3[C@H](O)c3ccccc3)C[C@H]2O[Si](C(C)C)(C(C)C)O1	263601431	LCVKRPARHSQQEA-OBOOOKMBSA-N	578.855	5.102	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2OCC)ccc1OCc1ccccc1	408539743	YLRJKLPUTKRUQD-QRQIAZFYSA-N	597.111	8.150	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408543767	SWVXFTFWYQXZBN-GRSHGNNSSA-N	511.361	6.215	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408545475	ZDRJJJFIGIAGPE-JJFYIABZSA-N	606.270	7.188	50	40	KKGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccc(Cl)c(Cl)c1	408551462	CWDFCFZFGCEPIG-DLCNMLRHSA-N	616.530	7.642	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	408606495	MDCZXFNGSJSQIW-HNNXBMFYSA-N	522.791	5.861	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O	408643622	GHLFSYFSJVKGNA-OZTQZWFPSA-N	568.284	5.916	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408644085	QRGTXVULQMVAET-HNNXBMFYSA-N	831.364	8.577	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(F)cc1	408652118	OKUULUATXWOXSX-IOGQTDPRSA-N	647.122	5.151	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408669490	HEZNEUBERJWSAR-JHNDHUHGSA-N	574.191	5.384	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1Br	408736544	CIWQRODJIFEKDK-ZYMKGWJUSA-N	601.339	5.643	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)ccc1I	408746722	GFEQYPQHRHBPAL-KKMKTNMSSA-N	613.221	5.553	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408774233	CDYRISPRAQJUHN-NHFJDJAPSA-N	528.472	5.110	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(I)c2)cc1	408789357	PDPAIPAGQJUCON-FYJGNVAPSA-N	508.359	6.033	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408798111	UVDSTEQTTHNGJF-GIJQJNRQSA-N	665.225	6.237	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408803364	OAIHMGSIKWVLSQ-HZHRSRAPSA-N	527.418	7.044	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	408809596	HYAHFOSBHSHULJ-RQZCQDPDSA-N	653.698	6.849	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408811450	LLLHKWVDVVNNEW-HMAPJEAMSA-N	501.514	5.986	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408812819	NXTBYTNAYGDZJM-XLNRJJMWSA-N	555.103	7.486	50	40	KKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	408833717	SLEPYZWUOJGRKN-CJLVFECKSA-N	531.406	5.984	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(Br)c3)cc2)cc1	408834437	UWVBWYGBTLKOPA-WPWMEQJKSA-N	567.483	7.770	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408835058	VZAJXMDTXJJDBG-WGOQTCKBSA-N	658.379	9.613	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OCc2c(C)ccc3ccccc23)c1	408835818	YICYVHKBHQVMRK-TWKHWXDSSA-N	568.673	8.169	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1c(C)ccc2ccccc12	408837156	ZJGOASLZESZXQT-NJZRLIGZSA-N	582.700	8.559	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408841880	IJMBDUDFYFCTDB-MWBNBJEGSA-N	657.104	7.405	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2ccccc2o1	408843367	FBYICHHWJULURT-MXAYSNPKSA-N	541.301	5.289	50	40	KKGB	
CCOc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408847743	UHSWURSIFRKZTQ-IPPBACCNSA-N	525.461	7.332	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408852684	VOBUNIXLBNYDTD-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(Br)c(I)o2)c1	408855694	GOAAKKGLIOFKHI-UHFFFAOYSA-N	546.590	5.472	50	40	KKGB	
Cc1c(/C=N/NC(=O)COc2c(Br)cc(Br)c3cccnc23)c2ccccc2n1C	408856501	IZCZBZRRFSMWEV-KBKYJPHKSA-N	530.220	5.089	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408858663	KAIUDVZQSFGLNO-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1cc(Br)ccc1O	408869779	UFPYTUZSQHFSIF-HJOZPFKESA-N	592.449	5.121	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)c1	408871583	ZUHQIPUAFCRGIE-UXHLAJHPSA-N	595.519	5.211	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl	408885800	AYSFSHSUGYCAQR-WYMPLXKRSA-N	528.211	5.288	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2OC)cc1	408888777	AMCHJCRFUZBSLT-QGOAFFKASA-N	507.340	5.231	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1cccc(C)c1	408922686	FZEUAWBZHGDIKE-CIAFOILYSA-N	550.409	6.498	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408949422	IBCVXESUSLTRMX-JAIQZWGSSA-N	616.286	6.924	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)NCCc1c[nH]c2ccccc12	408951586	LXYDAGBWPPTXOM-BKUYFWCQSA-N	534.841	6.429	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408953703	MLINOYCFVKQSBM-ANQWCTRZSA-N	520.265	6.067	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)c(F)c1	408966397	LJXYJQQOUMZOFV-IPBVOBEMSA-N	521.173	6.110	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408969948	XNEQTWHQZQYDRZ-KGRWVYASSA-N	738.293	8.287	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1	408985140	VSKFEFRDKMBWCQ-IUXPMGMMSA-N	625.663	7.279	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2-c2ccccc2)cc1	408987919	PPUGIMSIXKQIAJ-ZTKZIYFRSA-N	586.091	8.496	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)o2)cc1C	408991386	NRBKKFADRDSECT-XMHGGMMESA-N	576.659	7.004	50	40	KKGB	
O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)cc2)c1	409017353	FXHWSDPJLQGQJV-KKMKTNMSSA-N	619.209	5.841	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	409028811	TXEWCBKFTXKXJC-RUMWWMSVSA-N	557.672	5.182	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1	409029565	BOIRSGHRCDMIQC-KNTRCKAVSA-N	533.584	5.249	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(Br)cc1	409035872	QNPIOIWVKVZLMZ-KMUKQRDJSA-N	706.378	8.011	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1	409070862	NLITWUCTKGPIMI-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409127964	HEMRCXRGDGVOKZ-ZSNJKBEMSA-N	673.147	6.643	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(F)cc1	409145431	QCXWFCXZULMZGJ-JOCHJYFZSA-N	513.363	5.381	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1	409193372	JRSYBYMOHYHQEL-MZJWZYIUSA-N	541.420	6.095	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409216933	PWGADTLGHIWJMD-IUXPMGMMSA-N	534.193	7.316	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)ccc1OC(=O)c1cccc(C)c1	409226898	WNGQEHALELZCBS-UHFFFAOYSA-N	551.599	5.638	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1cccc(C)c1	409229501	PZDYLVFJLTWGBX-CFKHXJFWSA-N	519.439	6.520	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409250377	KOZADUKWQYNKIJ-CAOOACKPSA-N	578.374	6.892	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1Cl	409250487	MJSZHAYWQUZSED-OQLLNIDSSA-N	624.116	7.082	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(Br)c2)cc1OCC	409309280	DUVMEPNKFIVGGW-FMCGGJTJSA-N	514.214	5.172	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)ccc1OCc1ccccc1	409311912	CTTYZDAVZFZCRK-KMUKQRDJSA-N	593.507	7.713	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409317139	OKABNFBHJFREQQ-VYYCAZPPSA-N	650.382	5.470	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)ccc1OCc1ccccc1	409317463	QHWAWQDDUSIFMZ-DLCNMLRHSA-N	656.346	7.671	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1	409361330	RWJVJGKADJBOMS-CCVNUDIWSA-N	561.274	5.752	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409387080	SYFJYIQPUVSYPN-RPPGKUMJSA-N	530.444	5.024	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)[nH]c12	409394740	FHJFUIYJIHBWSD-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395208	LACXDYUVPKDOKD-UHFFFAOYSA-N	782.873	7.996	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409396185	WYHIKMLBKQCJBR-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc5ccccc45)cc3)o2)cc1	409406371	WJWYAPGYFOHCTF-GKVNEZTPSA-N	569.661	7.762	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCC(=O)Nc3cccc(F)c3)o2)cc1	409407235	ZEBZWQRXBQKUHI-VHFSBPNMSA-N	615.061	6.840	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccccc1F	1529548915	PVSRQSALJOVZEJ-LGKFVODTSA-N	616.715	5.018	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	1438109	SDOGAEWHQMJCDP-HHHXNRCGSA-N	528.703	6.380	50	40	KKGB	
COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1	1781475	COLFFARMGPHXKT-AWRNBQGKSA-N	504.015	5.504	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1	2310201	OJYNXWQQHRXJEQ-QHCPKHFHSA-N	531.987	6.468	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C[C@@H]([C@@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)c1	8450138	BDXBQJJDNYPETK-SPXUEHIWSA-N	547.287	6.193	50	40	KKGB	
CC(C)(C)N(NC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)P(=O)(Oc1ccccc1)Oc1ccccc1)C(=O)c1ccccc1	8453179	TXPTXCUHUKJUQB-NDEPHWFRSA-N	602.584	7.100	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OC(=O)c1ccc(C)cc1	10060138	OAVUAUGOPDASPF-UVHMKAGCSA-N	515.791	5.711	50	40	KKGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1	83301789	XLARVWKRDWTVQN-GLYRRZRCSA-N	511.416	5.391	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	100128427	OBVBNJPRECQZHC-KCSSXMTESA-N	554.594	5.459	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	100343589	XYHHHNZUHCSGNQ-KCSSXMTESA-N	608.120	5.060	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1	100989470	AACIZYHJMFCCMW-JSIHEXFSSA-N	538.854	6.167	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl	101273319	PCTBCVKOMLUDKU-DEOSSOPVSA-N	528.461	6.099	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1nc3c(s1)CCCC3)[C@H]2Br	102729777	CBGCKYQNLWIFBQ-GOPGUHFVSA-N	541.147	5.646	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccccc1	103841865	AVEXZIAOQXGPQT-XKZIYDEJSA-N	577.422	5.626	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	103897864	CJVPKGGHDLKOFE-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
COc1cc(N(C[C@H](C)Br)C[C@@H](C)Br)ccc1/N=N\c1ccccc1C(=O)O	104184777	WUBLXGHQQPESHV-GRECCNMSSA-N	513.230	6.182	50	40	KKGB	
CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341740	IGCVTPSDLNOIHO-MRXNPFEDSA-N	770.390	12.281	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(C)cc2)cc1Br	150462876	DSUTVWGXIBLVCI-DPNNOFEESA-N	637.600	6.136	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795376	NZGDWAYFVNOPCY-VXGBXAGGSA-N	958.182	12.702	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	408537804	HHYZADJGKNMICG-PXLXIMEGSA-N	513.476	7.360	50	40	KKGB	
COc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	408540001	LPBFQSFBMIFVQF-LRIZEKIPSA-N	602.687	7.205	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408543713	QKLULFKTQPOJDL-OCKHKDLRSA-N	509.312	5.707	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550476	HDVVEGWBIKCRET-VCHYOVAHSA-N	583.426	6.367	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408570025	ROAVCDVAODGTJO-WKULSOCRSA-N	588.107	6.234	50	40	KKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(Cl)c2Cl)c1	408611195	QEMDCHXEQXDUIK-KVSWJAHQSA-N	533.799	5.062	50	40	KKGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	408612461	VNFDBNUYVJQKSY-XKJRVUDJSA-N	508.764	5.131	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccccc1	408641535	CPGSBFQOJMQVNB-BBCKRIEKSA-N	629.132	5.011	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccccc1C#N	408675952	CSXNGYMDQDYVOA-FDAWAROLSA-N	503.002	5.553	50	40	KKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCc1cccc2ccccc12	408691729	NWPUNSVWYNYJEP-BKUYFWCQSA-N	571.418	6.989	50	40	KKGB	
CC1(C)Cc2ccccc2[C@@](C)(C(=O)N/N=C(\COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc2)N1	408734336	ONCLYHYEZNULEM-BGGRURNHSA-N	561.770	6.893	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc(I)c1OCc1ccccc1	408737846	PEMGTNWWSDKQGV-PIMODXEOSA-N	668.532	5.804	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1ccccc1	408741559	JNKZQWVCZUBPMR-IUXPMGMMSA-N	603.210	5.907	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408744914	NZYVAZBRQUXVMB-MFOYZWKCSA-N	625.144	8.042	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)c1	408746625	UGMHRQFHLXBXRC-LSCVHKIXSA-N	647.263	6.306	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408752717	JRNPDHMICUVJHY-RCCKNPSSSA-N	546.505	7.359	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408758643	OKYNRQMTEBAACQ-LDADJPATSA-N	586.420	5.378	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408758684	PEIRDADSCSUNHI-GZTJUZNOSA-N	602.419	5.078	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1cccc(F)c1	408789862	SDBSXFLNFYLXGG-BUVRLJJBSA-N	587.445	7.300	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408792148	ISNHTUHWUXJKFC-WOJGMQOQSA-N	538.354	5.586	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1	408793874	GJUGRDHTALBLKA-XDHOZWIPSA-N	572.786	5.856	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)Cc2cccc3ccccc23)c1Cl	408816822	MFCXPHVTDFBKOF-WKULSOCRSA-N	510.377	6.353	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2	408828788	JJVZMLHMNKSBEX-OKCVXOCRSA-N	538.456	5.591	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	408842553	QIUVXBGOQWLRIR-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)COc4ccc(Cl)cc4Cl)c3C)sc3c2CCCC3)cc1	408844431	IRMRNTFOQJFJMP-MJXLXAJKSA-N	609.579	7.431	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2cccc(Cl)c2)cc1	408845806	ZMDRLZZXJUGVNL-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	408852290	RVHJIKXRGCUNKV-ZOWVIHBMSA-N	699.849	6.146	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408874450	BTGSWYDXEAJQDB-IWBSIUBASA-N	554.672	5.291	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1Br	408884436	XDTNEPXSZOGZBZ-HYARGMPZSA-N	505.412	6.589	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408885817	BHGLPYORBISTLX-LGJNPRDNSA-N	532.232	5.872	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408886003	CNLQWIUXKWCRPP-LPYMAVHISA-N	517.412	7.588	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408893145	FTEJSZSCGXHQBF-SFQUDFHCSA-N	558.759	5.718	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cc(C)cc(C)c3)c(OCC)c2)cc1	408898574	XBOVUQNJEOISEQ-OEAKJJBVSA-N	596.465	6.830	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OC(=O)c1ccccc1	408899864	RDYWTYZNULELCF-RPPGKUMJSA-N	569.182	5.590	50	40	KKGB	
CCOc1c(Br)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1I	408904026	CNANWKMLLZSZBM-NKVSQWTQSA-N	581.046	5.679	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(Cl)c2)c(OC)c1	408942716	GSULZHZJZUZJLK-MUUNZHRXSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1	408949717	RLBADZBFJOTDNC-GDLZYMKVSA-N	671.603	5.856	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)c(OC)c1	408954994	OALHQBUKGITRSU-HVJLQFNCSA-N	842.400	5.343	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCCOCCOc1ccccc1	408964714	ZOEOJNFJLKZUMO-LTGZKZEYSA-N	537.410	5.478	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1O	408968694	BHBOISLIKVRCCU-SYGNGKJYSA-N	670.331	5.347	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408982003	XEPQXRZZPQMZMN-HIYJYGDOSA-N	542.035	5.939	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc2c(c1)OCO2	408985787	AXNIKRURAZHSBW-ZDLGFXPLSA-N	525.786	6.264	50	40	KKGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408994960	JZELCHDINVPFJY-LUOAPIJWSA-N	735.110	5.465	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cc2cc(Br)cc(I)c2o1	409011741	HKSUGQWKGAJXHK-KNBZMSCYSA-N	667.128	7.874	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409016659	VHDRCFTYESFMKA-YCPBAFNGSA-N	635.636	5.168	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020297	NPRCTNFZJRQGCQ-JIDIBDNHSA-N	790.553	8.173	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409037815	NWAVGTMMYATMRE-ATZGPIRCSA-N	617.956	8.313	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OS(=O)(=O)c1ccccc1	409066926	DMXQVDMEKBKVAW-CPNJWEJPSA-N	541.423	5.470	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409112976	HLVXTRNSDPBIOS-VTNSRFBWSA-N	602.927	6.780	50	40	KKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	409132104	ORTXTIYPIYHPES-KVSWJAHQSA-N	536.868	6.048	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409146698	VNUHHVVXESYBTO-RPPGKUMJSA-N	675.648	5.729	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)[C@H](O)c1ccccc1	409147489	WVQDEVFGMNXQCK-IXWKPRAMSA-N	596.470	5.380	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O	409148001	XPOGIWDPAMBEAN-VWLOTQADSA-N	581.467	5.319	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1Cl	409160487	YUFQBKJFWBSBMU-MUFRIFMGSA-N	558.860	5.949	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409176700	VNNJXIPIOPZGKM-GHIMHLSJSA-N	670.310	5.802	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1Cl	409184220	FUQPSCGEXVMNRZ-OCSSWDANSA-N	536.053	5.297	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c2cccc(Cl)c2C)cc1	409185486	LWUYTUYLHSBGGG-KBVAKVRCSA-N	586.110	5.023	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4)c(I)c3)cc2c1	409186677	GJBJIAACBPDJOT-MUXKCCDJSA-N	619.253	6.542	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409189543	QGIQZLKHSSXGGZ-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)n1	409221817	VHJIKVMZFXTEPK-NSKAYECMSA-N	737.199	5.887	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)NCCCc1ccccc1	409221853	VKLBZVYAYIICMP-QJOMJCCJSA-N	522.386	5.526	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1	409224036	IKJFXBIAORAMNG-DXJNIWACSA-N	536.544	5.068	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OCc1ccc(Br)cc1	409242926	PURDRADPUOCUJV-HBAFHOPNSA-N	531.450	6.550	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)cc1C	409252639	CUFXWGXGEQICQG-SRZZPIQSSA-N	597.307	6.069	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409256912	OBBMCTBARLTTAC-YSYOEVFLSA-N	739.479	8.803	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2C)ccc1OCc1ccccc1	409258789	VYGGYNSAIJGWLM-UCMJSZAQSA-N	537.616	5.754	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409263292	MADFPAAPXHSGPB-FQTKLMGGSA-N	560.865	6.128	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2)cc1	409266751	KYQFKOAXZSYYKG-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1	409271735	WKGFNEULTRUVLT-JAIQZWGSSA-N	552.414	5.960	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409302612	JSFHXLOTNWUGGQ-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)ccc1OCc1ccccc1	409309034	AHGFYOIYKRZPDV-OHUYPAJKSA-N	532.999	6.800	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1OCC	409314928	HZIYQXGFCKDGOR-ACXHZZMFSA-N	647.364	6.489	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409362776	GPKVLJVUOBPDNF-IPBVOBEMSA-N	630.562	6.769	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1	409363703	MOOHALILDYNMNQ-BOPFTXTBSA-N	554.372	5.169	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	409364613	YEMMRYUSECKORZ-VYYCAZPPSA-N	501.808	5.691	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396177	DXSSFHUIMUEADH-UHFFFAOYSA-N	717.516	6.755	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397277	IGGPSQGSHDYMFR-UHFFFAOYSA-N	511.509	5.949	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(OC)cccc2c1-c1ccccc1Cl	409398276	SDJBCNAGTUZFRD-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409399329	ZNNULEJWQBJJKJ-UHFFFAOYSA-N	622.892	7.795	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(C)cc1	409399919	MAICFWVCUPWICO-WBIBEUCMSA-N	598.099	7.579	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(Br)cc1	409400457	DFSOONIKSFFEEK-ADJDCTSUSA-N	786.315	8.905	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCC#N)o2)cc1	409407787	HTESNJZHIHXYBB-BVMLUPFRSA-N	581.854	6.348	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	874393	JNFASAMCNFLUMN-GDLZYMKVSA-N	538.673	5.964	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	1438110	DSBWHZTVPRFLEV-SANMLTNESA-N	549.121	6.725	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C\c3ccc(-c4ccccc4)cc3)c2=O)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1	2051525	SKXOOEQKFLLKQD-OYBLHVSXSA-N	534.644	5.195	50	40	KKGB	
Cc1cccc(NCc2nnc(SCC(=O)N/N=C/c3ccc(F)cc3)n2-c2ccc(Cl)cc2Cl)c1	2097790	CGCORPWXXCEEMG-VVEOGCPPSA-N	543.455	5.876	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1c(Br)cc(Br)cc1Br	2166378	IUQYAOJZSLTLCE-OPEKNORGSA-N	585.090	6.055	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)NC3=C2C(=O)CCC3)ccc1O	2204184	GCYWLXCBPLJGLS-HSZRJFAPSA-N	529.540	5.221	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2340027	NVTOKEPBVHPGEW-ZCTHSVRISA-N	526.710	5.849	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1	2705659	KJQBYYOIBJFCTD-VUTHCHCSSA-N	500.624	5.197	50	40	KKGB	
N#CC1=C(N)N(c2cc([N+](=O)[O-])ccc2Cl)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl	2761627	ACDSZFZFNCBEDY-WGDIFIGCSA-N	531.399	6.600	50	40	KKGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1	3765716	WLDWFTSYSIYVMS-VFLNYLIXSA-N	536.495	5.840	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(Br)cc1OCc1ccc(Cl)cc1	4047772	FUPUDTRYVGUDNJ-MUFRIFMGSA-N	538.829	6.245	50	40	KKGB	
Cc1ccc(S(=O)(=O)O[C@@H](CI)[C@H]2O[C@@H](c3ccccc3)O[C@@H]3CO[C@H](c4ccccc4)O[C@H]23)cc1	5732580	BAECIMNJDZDGFY-AKCFYGDASA-N	622.477	5.101	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2CI	8382433	VJCWEUYDXCVIJK-GGMJHBSYSA-N	500.505	6.992	50	40	KKGB	biogenic,in-vitro
CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(C)cc2)cc1	8443196	KLBVNFGTXUOIMC-UHFFFAOYSA-N	527.731	6.366	50	40	KKGB	
C[C@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccc(Oc5ccc(F)cc5)c([N+](=O)[O-])c4)[nH]c(=O)c23)C1	12564794	JMYRAUDIELEYPQ-LUYJPIOASA-N	502.527	6.013	50	40	KKGB	
C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1	12600266	WOCGTLMYPZXGGB-GDVZAJFZSA-N	519.580	5.029	50	40	KKGB	
CC(C)(C)c1ccc(-c2cc(C(=O)NN=C3CCN(CCc4ccccc4)CC3)c3ccccc3n2)cc1	20468251	BNDSUEWUUNIMTG-UHFFFAOYSA-N	504.678	6.624	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(F)cc1	20760941	VOGDHNITAPIVLG-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	33353831	KIJGIZFALRDJFD-UTTKBSPJSA-N	571.699	5.013	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	98001670	NHXULLBPELPUFC-GESPGMLMSA-N	786.866	7.387	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125417	FLISATWIFJEYIM-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc2F)cc1	100139217	SYHGBRRCQCNHBL-KCSSXMTESA-N	566.054	5.712	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1OCC	100183394	LOLWBMAHZSKVDU-RDRPBHBLSA-N	544.073	5.258	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100223421	KHMNWZMMVDTMEL-KVSWJAHQSA-N	548.220	6.854	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240346	OBADIOJERVDSMV-MZJWZYIUSA-N	540.856	5.391	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccccc2Br)cc1	100351063	LZHXDCZDBSMEMO-NDZAJKAJSA-N	578.488	5.617	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc4ccccc4c3)nnc2-c2ccc(Cl)cc2)cc1	100852002	DYUONKZOQQWZPQ-UZWMFBFFSA-N	556.091	6.772	50	40	KKGB	
O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1	101052260	HRYPILXPBHYOQT-PPMYUTJDSA-N	541.239	5.914	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	103742199	ZEHCMHPRDWGWQS-JSIHEXFSSA-N	539.400	5.967	50	40	KKGB	
CCCCCCCC(=O)N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1	103754452	CBMXLUFDFDHMHO-GZZLJNBRSA-N	551.716	7.566	50	40	KKGB	
CCN(CC)c1ccc(/N=N/c2nc(Cl)c(/C=C3/C(=O)c4ccccc4C3=C(C#N)C#N)s2)c(NC(C)=O)c1	104272605	QNVMQOMOPBFLOI-KMZBYPJYSA-N	556.051	7.097	50	40	KKGB	
Cc1ccc(NC(=O)/C(NC(=O)c2ccc(C)cc2)=C(\Cl)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104476235	DLHDAYVRTDJMRN-YHZPTAEISA-O	590.083	7.074	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1)NNC(=O)c1ccccc1Cl	139047695	UUBCFMDOQQOOFR-UHFFFAOYSA-N	560.459	5.258	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408538441	MXZFFSCJPRSNQD-ALQBTCKLSA-N	656.046	9.091	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OCc1ccccc1	408539024	DOSGJPAWZCYHKX-DXJNIWACSA-N	525.561	5.915	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(OC)c2)c(C(=O)OCC)c1C	408545980	BFKNSDFIONLAID-FYJGNVAPSA-N	565.619	5.855	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552927	SLDWLWWMTQNFGO-ZDLGFXPLSA-N	603.300	7.026	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCC(=O)Nc1ccccc1	408555858	YULQNUHGUGJTAK-XDHOZWIPSA-N	561.063	6.114	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)c1ccc(Br)cc1	408579195	DNXFAWXPSCHNIH-LFYBBSHMSA-N	515.983	5.502	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1OC	408580934	FIETWGXIHKHVEO-XDHOZWIPSA-N	514.397	5.607	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl	408603159	FRJYFZLSZPLVOL-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	408605794	NDRYUQGIBKUMKY-MHZLTWQESA-N	538.629	5.359	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4cc(Cl)c(Cl)cc4Cl)cc3)[nH]c2cc1C	408607461	SDOYQKXUQOAHOO-RQZCQDPDSA-N	525.823	7.222	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408639067	FAKITKHRRFJTQC-BDXSIMOUSA-N	696.017	5.918	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccccc1	408643941	QHZZHAOFURJTTP-TVFCKZIOSA-N	617.121	5.156	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)cc1	408654478	QPTAFFLRSYRZLC-NCPQUSJXSA-N	763.266	6.539	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408673782	VHOSCBMLZVRMSP-CGXNFDGLSA-N	562.302	5.490	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc(N2CCCC2)cc1	408675940	CRPNYANBRXSGKP-WKULSOCRSA-N	730.182	6.601	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408711828	MQZRGIQCHPQPLR-MBTHVWNTSA-N	578.834	5.624	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(I)c2)c(Cl)c1	408741988	UBXIAUNJWQXVRC-YSURURNPSA-N	572.628	5.584	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408779750	JRRWLFGTROFVIF-FMFFXOCNSA-N	567.667	5.664	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2cccc(Br)c2)cc1	408787132	RZCJUUJTTFAIGK-JVWAILMASA-N	528.472	5.227	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408791853	DLIFLCIYXNVAEP-RQZCQDPDSA-N	666.209	5.424	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)cc1	408796494	YLISJAXGLWFSHQ-XDHOZWIPSA-N	509.331	5.499	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1	408796526	OMCBVJDWKOVMSR-XDHOZWIPSA-N	525.786	6.014	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1cccc(Cl)c1	408798392	ICIDQNKNJUAWOV-RGVLZGJSSA-N	572.830	6.776	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OCc2ccc(Br)cc2)c1	408821446	HLFDDABXECBBJB-LFVJCYFKSA-N	603.900	7.815	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCc1ccc(Cl)cc1Cl	408827252	KNMLMZWNURYZQR-REZTVBANSA-N	640.745	7.950	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408834663	WUFIYIAQOMAEIK-OKCVXOCRSA-N	540.016	5.536	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408848628	XMMZLMWVJZZJEE-CDLBOOTPSA-N	702.641	9.365	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc(F)c1	408858310	YEYJABNUVXRLSH-QJOVZPHJSA-N	568.048	7.597	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)cc1	408859630	YSNRMKKGFNGRPF-FZKWRIDDSA-N	551.046	6.976	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(Oc2ccccc2)cc1	408864364	ZBRXKLLJCFMMCV-ZCTHSVRISA-N	564.063	5.628	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1cccc2ccccc12	408868488	OOKPAYXNLSBTTJ-PCLIKHOPSA-N	511.021	7.579	50	40	KKGB	
Cc1cc(C)c(COc2ccc(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)cc2)c(C)c1	408883861	RMKBBLXXKYJFDM-IURWMYGYSA-N	585.513	6.702	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(OC)c2)cc1	408888391	ZMNMFSSIJGWNCW-XSFVSMFZSA-N	507.384	5.981	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1cccc(I)c1	408889733	GMGVIHLLLYZPQZ-LICLKQGHSA-N	536.285	5.409	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408892318	ALPOMPFOPJJNNK-WOJGMQOQSA-N	633.420	5.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc(C)cc2)cc1Br	408945366	KOFSANIHAQOERV-PMERELPUSA-N	681.609	5.230	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccc(Cl)cc1	408957602	VFVAMDZRMWYHPW-QKRNDYIXSA-N	691.181	5.775	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	408971532	HVWLAQOBLFLDDA-JHEYKUTMSA-N	529.808	5.004	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)c2ccccc2)cc1	408979602	NEQGGIRUCMWEJO-IWBJQXMWSA-N	564.711	6.116	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409012973	LRWMPPFNXOOTSR-TZRCHIKKSA-N	643.784	7.377	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409013140	SYXHQYKMBKHHIT-XKJRVUDJSA-N	743.146	7.212	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(I)cc2)o1)c1cc(-c2ccccc2)nc2ccccc12	409029417	AQTQWNCYHGDHCS-RHANQZHGSA-N	543.364	6.530	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c(Br)c1	409043579	NDECLJVJPVDRGL-OCSSWDANSA-N	510.391	6.997	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(F)cc1	409051829	GMMORUMEVDWACI-XODNFHPESA-N	566.798	6.134	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409076176	ZBSRIYBHURDQDN-HZHRSRAPSA-N	516.981	6.290	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1cccc(Cl)c1	409079624	LGAAFFSYIAHMFB-LPYMAVHISA-N	540.969	7.611	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1cccc2ccccc12	409087293	YFSKCSXIIMDBBQ-MBTHVWNTSA-N	534.366	5.862	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccccc1Cl	409139109	MPWDHZHXZVQONL-VPUKRXIYSA-N	602.765	7.380	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)cc1	409144737	GILRMEPJILTEBC-QHCPKHFHSA-N	589.861	5.652	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C	409152516	FPJOEQRBIMNMTM-KPGMTVGESA-N	609.521	5.442	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	409185740	PGKFXSHOJOHNCK-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccccc3Cl)cc2c1	409187008	KTKQJBUEDVMKTJ-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1ccccc1O	409217566	DHUKRGCYTVCHDM-LCIRPYIXSA-N	563.613	5.512	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)c1	409252952	ABDDJXQYWKFTOM-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)cc1	409257032	NMOFRVWWYWUAHH-BKUYFWCQSA-N	562.420	5.416	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)ccc1OCc1ccccc1	409257693	UICRFEHTIJJVBL-KMUKQRDJSA-N	630.539	6.825	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)ccc1OCc1ccccc1	409261292	CLKYDABRSPHZQY-KMUKQRDJSA-N	586.088	6.716	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409266632	QPJKIVPETUSALD-BOPFTXTBSA-N	544.822	6.609	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409270039	NZCWVOMCWSGQLP-XKZIYDEJSA-N	562.464	6.336	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409270670	GZVRQDHZNKIZQC-KULFSUQXSA-N	660.583	7.959	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409312647	GDGIXCUVLKAQLJ-AQLQTECXSA-N	581.931	6.629	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1OCC	409326503	LCHVHEHIYZNCFQ-MZFJOGFUSA-N	561.476	7.133	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)cc1OC	409327637	VJLCAXOVMSNZKZ-CPDSRJINSA-N	653.755	6.444	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)cc2c1	409333126	CJABMRKMHROYES-AQLQTECXSA-N	606.300	7.642	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OCc1ccccc1	409357439	IYWYIJKSWJHKOV-UVHMKAGCSA-N	594.247	5.204	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1	409366824	YWXVEMWITGFSBH-WKIKZPBSSA-N	669.257	5.693	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409371954	CKJNNFYKPWCYND-OKCVXOCRSA-N	578.419	6.261	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	409373654	RUOPCTUFRRNSJI-XAZZYMPDSA-N	543.834	7.160	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409387523	WWHCFMMFBFFHGY-KVSWJAHQSA-N	648.410	5.343	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl	409397063	FTRQWIPVRAEFCF-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397296	IKIRGROJDCPSBM-UHFFFAOYSA-N	637.863	7.695	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)c(-c3ccccc3)c2c1	409397640	MFDMTESJAQSIIV-UHFFFAOYSA-N	623.662	6.251	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398083	QHUBBUUHEJZFPZ-UHFFFAOYSA-N	606.893	8.177	50	40	KKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409399761	LNUOCYSMIWOORP-OFSKBFHASA-N	550.055	6.869	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OCc2cccc3ccccc23)c1	1529547424	LBGNQQPLADBCLS-DGVDXNNESA-N	608.720	5.304	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1	1889041	DNCHLNOAKYPPKO-GHIWRQRASA-N	516.381	5.468	50	40	KKGB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1	2801604	ULSKZEAGDMEDFC-LTGZKZEYSA-N	532.021	6.563	50	40	KKGB	
CCCC(O)(CCC)C(=O)NN(C(=O)c1ccccc1C(=O)N(NC(=O)C(O)(CCC)CCC)c1ccccc1OC)c1ccccc1OC	8424692	FJOXBLZPLMBZPY-UHFFFAOYSA-N	690.838	5.722	50	40	KKGB	
CCOc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(SC)cc3)C3=C2C[C@H](c2ccccc2)CC3=O)c([N+](=O)[O-])c1	8456012	DWDJYCSLUMMHKX-KCWXNJEJSA-N	552.656	6.414	50	40	KKGB	
CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5)c(OC)c4)CC(=O)N3C2)cc1	9693527	UWDSIKKWANCGDT-RUZDIDTESA-N	527.646	5.892	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(O)cc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9763725	UMLDPLAJLRVROQ-MWLSYYOVSA-N	515.639	5.194	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1Cc1ccc(C#N)cc1	10118671	TWCWQOSDACGOBX-RWPZCVJISA-N	518.358	5.238	50	40	KKGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5Cl)cc4)CC(=O)N3C2)cc1	12251082	JEMHQTCEKFDQBJ-XMMPIXPASA-N	518.038	6.147	50	40	KKGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1	16322157	BUUYRXOUAGJXFD-YEJUYAPHSA-N	518.708	5.231	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	20059121	JZFZZLJKIICUFO-VUTHCHCSSA-N	507.656	5.136	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)c2C)c1	20243877	PADKUVPBRVAPEN-MUFRIFMGSA-N	523.475	5.070	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(NC(=O)c2ccoc2C)cc1	20295996	AURAJACRULWBTO-BIZUNTBRSA-N	507.546	6.320	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2)NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H]1c1ccccc1Cl	33355297	IPTJZYPBXANFQR-GDLZYMKVSA-N	591.161	8.312	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)NC(C)=C2C(=O)Nc2ccccc2)cc1	97952090	PHVKYNRSCWUUEJ-LJAQVGFWSA-N	538.673	6.100	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100129544	KZFNMXOHJKVRFM-LJUMEUDFSA-N	569.514	5.742	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(=O)c1cccc2ccccc12	100135337	NTMQCXDAPCHCTN-XSFVSMFZSA-N	564.947	7.676	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(Br)cc1	100261642	VHMDIMUQJQSRJX-VCHYOVAHSA-N	578.098	7.626	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1	100289626	AVLQIEJZVPBNJA-UXHLAJHPSA-N	595.519	5.211	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)c1C	100800237	AHHWGCPEQZMMSY-WJOKGBTCSA-N	549.696	6.683	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc2ccccc12	100957280	GULTXCHHRCDJMK-NDENLUEZSA-N	537.830	7.933	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)c(O)c1	101408940	LCPMEEARSIDDTQ-FMFFXOCNSA-N	586.762	6.035	50	40	KKGB	
CCCCCCCCCCCCCCCCNC(=O)c1cc(OCCBr)c2ccccc2c1O	101955394	OCMFNSOQSOKZQA-UHFFFAOYSA-N	534.579	8.530	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	102808827	RLHRCTNTSXOFBL-NDEPHWFRSA-N	543.092	6.663	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1cc(Br)c(O)c(Br)c1	103793644	MPNHXUXWCJMNAG-LSHDLFTRSA-N	542.025	5.234	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl	103891030	VHFSJVLGKRGARP-YBEGLDIGSA-N	536.640	7.534	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1)S(=O)(=O)c1ccccc1	103898806	YESMYAXOBYGDIX-QNKGDIEWSA-N	591.089	5.337	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	103899004	JSEXGIXVQGDDAE-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1	104119151	UYCQPJUJQFGHJL-QHCPKHFHSA-N	512.462	7.197	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	104403006	OWXRLKIWLNESRT-JFLMPSFJSA-N	589.386	5.340	50	40	KKGB	
CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341254	BMCDKBGGDPWONB-ZCFIWIBFSA-N	730.134	9.650	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2C)C1c1cc(O)cc(Br)c1	150371926	KPVQQMXUKVYPIZ-UHFFFAOYSA-N	745.461	8.746	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1	150372520	AISLAZVCTOMQNN-USYZEHPZSA-N	726.898	10.176	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	150438748	RFMNQEXYWIYUIT-IDJUBOEBSA-N	625.990	7.759	50	40	KKGB	
OP1(=S)Oc2c(-c3c4ccccc4cc4ccccc34)cc3ccccc3c2-c2c(c(-c3c4ccccc4cc4ccccc34)cc3ccccc23)O1	169807262	XNZVWDJIYSNQMX-UHFFFAOYSA-N	716.798	13.595	50	40	KKGB	
CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@H]2[C@@]5(C)CC/C(=N\OC(=O)/C=C6\SC(=O)NC6=O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1	245229000	LAPUCWPKWZCJAA-CYJAGGDXSA-N	703.740	7.687	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2OCC)ccc1OCc1ccccc1	408538863	CQHCUZKOCMLGGT-KMUKQRDJSA-N	593.507	7.713	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccccc3C(F)(F)F)cc2OC)ccc1OCc1ccccc1	408540051	MGXPAIGOQILJNF-RODHXAHZSA-N	643.456	7.407	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(OCc3ccccc3)c(OC)c2)cc1	408541585	ZZTSGHRUVHJJAU-IPHFVPNQSA-N	557.090	7.613	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(I)cc1	408545437	YSRTWPCMBKLQTA-NVMNQCDNSA-N	588.785	5.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccccc1Cl	408551494	DCLIEXHQBNACQE-YBFXNURJSA-N	596.934	7.438	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1)Nc1ccc(Cl)c(Cl)c1	408551901	GVSORYJTUQYBGW-DLCNMLRHSA-N	616.530	7.642	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552136	HOEHFFQWKMHTMJ-BCHBDCPOSA-N	596.221	5.454	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2Br)cc1	408570638	XHTDCPWJUDRBEH-YVLHZVERSA-N	505.347	5.855	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1OC	408580421	BSCIECWHQBFMJR-GIJQJNRQSA-N	519.222	7.416	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408602536	DQCWZUAQFYWBDK-KRWDZBQOSA-N	514.409	5.386	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl	408603627	GMYCHVJWPJGYHR-CIAFOILYSA-N	656.530	6.147	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408604403	IMDJRIWGOLASQK-IBGZPJMESA-N	528.436	5.694	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Br)c3)CC2=O)cc1C	408604945	JFGDGRDTJNFRDZ-IBGZPJMESA-N	542.861	5.795	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)cc1	408611392	QUAXJRXUQZHGGO-WKULSOCRSA-N	528.392	5.235	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3cc(Br)ccc3OCc3ccccc3Cl)CC2=O)cc1	408611412	WFABZYMDWIBVPL-LJQANCHMSA-N	542.861	5.740	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408643613	GGZVVUBCXPMHAS-TURWBDFOSA-N	755.268	6.292	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1C	408646203	TXAXCBIDVLEVEA-NCYKPQTJSA-N	610.730	5.119	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408649039	XCSLMFJPSOIAMB-LUKWVAJMSA-N	806.118	7.682	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408668269	DDAZNHCUTVKQBW-LUKWVAJMSA-N	584.393	6.972	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408718666	RJOFCPHFMRPWDA-MWLSYYOVSA-N	507.974	5.316	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408727735	WICQCHHGZBPTSB-VGOFMYFVSA-N	593.586	5.598	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408752567	BRPGEAVDWRVXCP-DHDCSXOGSA-N	539.298	5.612	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1	408759141	YMHXGAWPXHKHMU-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408767495	LJFFILOUMYLHJI-HMAPJEAMSA-N	501.539	5.905	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408777912	LTHHDLIICBKACP-NDENLUEZSA-N	603.344	7.735	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(I)cc2)c1C	408785258	XQBSZBKIIFIODL-WQRHYEAKSA-N	515.782	6.206	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(Br)cc1	408786552	KMLHEWFAJMFJSN-ZHZULCJRSA-N	506.400	5.648	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1	408787901	HKXOYUUZFAIKMY-WGOQTCKBSA-N	646.481	7.144	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408793069	CWWMWSBRWRDCQW-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408793435	FLVWEUARXYQSSX-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1c(C)ccc2ccccc12	408807624	DIYRVIMKPKFVPI-LPYMAVHISA-N	531.439	7.897	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Br)c1OCc1ccccc1	408808674	MXGMGEIDSTVYCM-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1	408831386	QEQGNNVFKIORLS-AWSUPERCSA-N	598.043	5.810	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408837366	DEYSPGLMJGXWCL-UYRXBGFRSA-N	635.356	7.830	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cn(Cc5cccc(Cl)c5)c5ccccc45)cc3)cs2)cc1	408839443	SGWVJPLOZMBCFF-MWBNBJEGSA-N	576.125	8.282	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1	408849777	ZBBFZSKRROVTAC-VHFSBPNMSA-N	687.388	8.049	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(I)cc1	408850912	GGYSIGAGTPHWJX-QJOVZPHJSA-N	720.405	8.171	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3cccs3)c3ccccc32)cc1	408868458	QDYFNHHEVDCOOZ-WNSGBWOUSA-N	517.610	5.023	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408871282	WSQIKROYVYISPD-PPDIBHTLSA-N	614.223	6.248	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Br)cc1	408875388	IBPJAEGSBGNLQE-RQZCQDPDSA-N	565.773	7.255	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1Cc1ccccc1Br	408884562	YIGIYHARZWDQIF-WOJGMQOQSA-N	603.254	6.294	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OC(=O)c1cccc2ccccc12	408897062	QGJSTMUZUUTBJI-WOJGMQOQSA-N	562.365	6.828	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1	408910033	IUBJLIPGIWMXFU-KEIPNQJHSA-N	504.561	5.944	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccc(F)cc1	408923462	IPTZEYZRFSRCAZ-ODNPBWNPSA-N	627.595	7.949	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1cccc(C)c1	408924977	PVCSCOUBDPQDEF-UDWIEESQSA-N	535.394	5.979	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(I)c1OCc1ccc(Cl)cc1Cl	408926680	ZCHBVZIBIZWPMZ-LSYYGSJISA-N	797.430	5.914	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408943294	HMGLJNBMPWJIIF-HHHXNRCGSA-N	761.449	5.584	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc(F)cc3)ccc3ccccc23)c(OC)c1	408954062	MWOOYTCLFBGIIS-XGBIICRQSA-N	640.668	5.287	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl	408956719	YCHWVQODKIJGTO-JMIUGGIZSA-N	599.312	7.091	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)OCC)cc3)c(OCC)c2)c(OC)c1	408957782	VXLDRFAOFRRPLD-HAJKSPSLSA-N	767.630	5.332	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCc1ccc(I)cc1	408958024	XEGTWIXFPPVFKH-GQZAJMAYSA-N	738.579	5.327	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408969439	NNRCGKASJYDZOM-CIMVZPIYSA-N	509.691	5.356	50	40	KKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408970111	AVBONCGVGYHLAC-BQJUVARXSA-N	537.447	5.428	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCC(=O)O	409014335	XKCOTZNCQVAPKA-KTZMUZOWSA-N	713.060	5.031	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409022713	QCPFNTDJJHOLCH-QDTIIGTASA-N	572.799	6.499	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc2)S(C)(=O)=O)cc1	409024817	HRDXUFXKXHSDFI-AJBULDERSA-N	527.646	5.304	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	409027588	GCOQIXFMYKYDCE-IPPBACCNSA-N	584.909	5.541	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccccc1	409047393	MMDYCBIZWQQYQU-BIZUNTBRSA-N	534.641	6.905	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409047564	OIVSINFHTQTIFN-CIAFOILYSA-N	534.410	5.007	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	409068719	SQYHGTIEJQLRNL-XNTDXEJSSA-N	507.782	5.960	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1	409073354	YFOGATXZPJUUNP-GZTJUZNOSA-N	605.850	5.211	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccccc1OCc1cccc2ccccc12	409081020	PARCOLNPKHPMBK-MUFRIFMGSA-N	535.385	5.586	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409140872	GLVOKGWMILNXCI-DEOSSOPVSA-N	560.909	6.608	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1Cl	409155365	QVBATXXSMRWOGW-PNQUVVCRSA-N	673.266	5.242	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1	409162519	WGGJLEBEEOINOC-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(C)c(C)c2)cc1	409185053	QSLMRDYANWVROU-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409185107	JGULGBSFWGHGIV-MHDJOFBISA-N	722.401	6.597	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc5ccccc45)c(Br)c3)cc2c1	409187302	OQYUYFYEWLYPNY-ZMGVVAQMSA-N	622.313	7.853	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409202781	UTYPNUWWADPRKX-LUOAPIJWSA-N	697.163	7.024	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c2)cc1	409221829	BBZKMDCCYCPYRN-UHFFFAOYSA-N	641.272	6.049	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1	409223723	IFQGRCPZVNKYER-WMBVQCPHSA-N	593.552	5.446	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409249252	GYZSBZSJNFFHAU-YBFXNURJSA-N	524.404	6.182	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409260527	RNTAVMYJOVEJPD-YBFXNURJSA-N	568.855	6.373	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409267995	YOQOHPTWMJMNCQ-UDWIEESQSA-N	613.427	6.009	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1OCC	409313528	QCIWNKWIVHRKIJ-MNDYBZJGSA-N	622.741	7.171	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OCC)c2)ccc1OCc1ccccc1	409316752	ZSJYPLJXUFGYLA-RHANQZHGSA-N	541.442	5.988	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1cccc(C)c1	409373675	SLUYUPXLCIHVQC-MUFRIFMGSA-N	503.396	6.262	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409376013	SEAVLYJXAFHRPN-LDADJPATSA-N	566.408	5.125	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)[nH]c12	409395495	OHLRLLGMUXJIMR-UHFFFAOYSA-N	755.648	8.631	50	40	KKGB	
CC[C@H]1C=C(C)C[C@@H](C)C[C@@H](OC)[C@@H]2O[C@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@@H](/C(C)=C/[C@H]3CC[C@@H](Cl)[C@@H](OC)C3)[C@@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@H]2OC	1529018666	KASDHRXLYQOAKZ-NGXYIQBDSA-N	810.466	5.719	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1	1888973	WVIUMYYSMPDPNZ-FYAMCCBRSA-N	550.453	5.373	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2)cc1	2368428	QFSDJSHFHMHFRC-BDPHVXEFSA-N	508.430	6.367	50	40	KKGB	
Cc1ccc(C(=O)NN(C(=O)NC2CCCCC2)c2nc(-c3ccc(Br)cc3)cs2)cc1	3768087	LFBKUHDECABLLW-UHFFFAOYSA-N	513.461	6.075	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	6074178	XMQITQVBHLNMNB-BIUWRGFISA-N	547.891	8.143	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1ccc(Cl)cc1Cl	10118548	LEPGHNHZVFNQNA-BHGWPJFGSA-N	512.178	5.769	50	40	KKGB	
Cc1ccc([C@H]2C(C#N)=C(n3cccc3)N(c3ccc(Br)cn3)C3=C2C(=O)CC(C)(C)C3)s1	12462528	UJJPCECTSGSJCM-HSZRJFAPSA-N	519.468	6.655	50	40	KKGB	
COc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3sc(C(=O)N(C)C)c(C)c3C#N)c3ccccc32)c1	13324075	ZGXRGWUPJGDAOP-DEDYPNTBSA-N	523.618	5.187	50	40	KKGB	
CCCCCCCC(=O)N/N=C1/CC[C@H]2C[C@@H](OC(=O)c3ccccc3)C[C@@H]1/C2=N\NC(=O)CCCCCCC	33354019	PJTFIWCSJCSZJI-NIGNOYKRSA-N	552.760	6.697	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	58928032	RQYPCBNMNQBQAD-KBVAKVRCSA-N	521.469	7.629	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1	59856609	LVFQHEPOWWPGPY-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
O=C(N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1	97980772	QVKPRSJCSTVDLI-PSBUZCNKSA-N	566.466	6.452	50	40	KKGB	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1ccc(Oc2ccc(NC(=O)/C(C#N)=C/c3ccc(F)c(F)c3)cc2)cc1	97984595	HWACEOKNJFVZFQ-VOKWCDJLSA-N	582.513	7.127	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1I	98001710	DSCAJGIDORCLKN-KVSWJAHQSA-N	686.138	6.181	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C#N)[C@H]2c2ccco2)cc1	98048902	WPCYGGKJCNUNKL-SANMLTNESA-N	601.050	7.221	50	40	KKGB	
O=C(N/N=C\c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2)cc1)Nc1ccccc1	100536591	OZKLUQOFQLAQCL-SCANPFHCSA-N	594.628	5.155	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)cc1	100862970	CARXRYIIDWXSAC-RHANQZHGSA-N	524.021	5.758	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(Br)cc2)cc1	100989402	VCMASWYHQPTIAR-YMGIJWJESA-N	552.881	6.476	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	103845226	IBFNIJNLNALRHS-NHDPSOOVSA-N	575.419	5.692	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)N=C2CCCC(O)=C2[C@@H]1c1cccc(Cl)c1Cl	104023498	ZVMNGDVPPOXBML-HHHXNRCGSA-N	576.505	8.427	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\[C@H](C)C/N=C/c1ccc(N(CCCl)CCCl)cc1C	104077263	KWDFAEPQSXAGLR-RSSORNARSA-N	558.425	6.798	50	40	KKGB	
CCCCCCC(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C\C(=C\c1ccccc1)CCCCCC)=C/c1ccccc1	104166749	FOVDUZMLIRPKAK-AOMPCSLHSA-N	626.930	10.419	50	40	KKGB	
O=[N+]([O-])c1ccc(N/N=C(\N=N\c2ccc(N(CCCl)CCCl)cc2)c2ccc([N+](=O)[O-])cc2)cc1	104382246	PPMNYIVABFDDCZ-BAQRLBGHSA-N	530.372	6.345	50	40	KKGB	
COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	105528872	VAFAZVJZKDVUAH-UHFFFAOYSA-N	559.729	5.685	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)cc(Br)c2O)c(C(=O)OCC)c1C	107671713	WAWGXINFQDYPOE-AWNIVKPZSA-N	540.819	5.250	50	40	KKGB	
CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341694	GQYXLOGNQMIOFM-OAHLLOKOSA-N	656.349	10.620	50	40	KKGB	
CC(C)(CBr)C(Br)(Br)OP(=O)(OC(Br)(Br)C(C)(C)CBr)OC(Br)(Br)C(C)(C)CBr	150347558	JEJAMASKDTUEBZ-UHFFFAOYSA-N	1018.460	10.738	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccccc1Br	164577120	DFRYXNKYDXYYDQ-KBKYJPHKSA-N	739.971	6.764	50	40	KKGB	
CC(C)(S)CCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1	200469839	WVQLZKRXHPZHLA-JOCHJYFZSA-N	680.230	8.170	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408539383	WHOZTRRQQSLWSW-IYVXLEGESA-N	777.741	9.954	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(OCc4ccccc4)c(OC)c3)cc2)ccc1OCc1ccccc1	408540679	VCFMGCDQWKCEHV-SGFZWYBVSA-N	616.714	7.595	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)Cc3ccccc3)cc2OCC)ccc1OCc1ccccc1	408540820	WDDSXPJPEVBOQS-IPHFVPNQSA-N	573.089	6.988	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c(C(=O)OCC)c1C	408547503	YMVQJCSSNFEPCJ-KGENOOAVSA-N	619.537	6.894	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408552863	LECUAFGHNCSZDN-PPDIBHTLSA-N	535.225	5.846	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408554128	QFDILGVGPHTSHZ-VCHYOVAHSA-N	631.379	8.091	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408570798	YRZMEFDNRZNKKQ-FJEPWZHXSA-N	666.457	7.197	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCc1ccc(F)cc1	408583967	YYNNOPVXHVXISC-UDWIEESQSA-N	529.349	6.481	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408641519	CNVJUYXPRKBONH-NJYVYQBISA-N	519.812	5.182	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408644946	RZVLMEGLKZUOGG-DZVNEVJTSA-N	553.845	5.791	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1cccc2ccccc12	408678021	WZTDGCLXBUWUGL-FMFFXOCNSA-N	572.503	6.944	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(Oc2ccccc2)cc1	408680129	DFJVLTPSPIKLIP-VPBXCIAMSA-N	567.425	5.389	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(F)cc1	408711743	ILUNAIHIQHMHFH-UVHMKAGCSA-N	552.771	5.825	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccccc1Cl	408711952	SDYJGUCUKYCTIY-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc2ccccc2c1	408723590	XIPADNQHLWMYOL-RWPZCVJISA-N	632.239	6.392	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)NCc1ccccc1	408747553	PLZSDQVLKVUNAD-GRSHGNNSSA-N	544.218	6.153	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br	408761797	BPDDWERSADJXLR-IZZDOVSWSA-N	519.020	6.463	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccccc1	408764423	ILCHMKNZVMFBNG-HMAPJEAMSA-N	503.396	6.311	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408765731	ZSEYWYRPWXUDCK-YVLHZVERSA-N	610.313	6.776	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccc(Br)cc1	408773753	LYNHLWJURZWBGH-UNOMPAQXSA-N	632.296	6.253	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408780766	JYIYUIWLEOJHLX-VFCFBJKWSA-N	542.499	5.617	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(F)cc1	408797221	QLQWIDAUZKECRP-RQZCQDPDSA-N	611.238	7.260	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408797560	SAYFQOYFFJJQGG-REZTVBANSA-N	580.693	7.851	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798290	VOPRUBQOBWMCEM-VIZOYTHASA-N	646.081	7.624	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1cccc(Cl)c1	408808875	GIUYQLWYXCXPNB-RGVLZGJSSA-N	569.839	6.412	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc(Br)cc1	408835933	ZSMTZJKZGOHTAR-OEAKJJBVSA-N	774.247	8.528	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(C(C)C)cc2)cc1	408837488	GWAPAVWVJOFJKH-QXUDOOCXSA-N	570.759	6.488	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(C)(=O)=O	408838470	WRELIXRQEJBLNH-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccccc1C#N	408839191	OMWAHHIAUPQYPW-ZSNJKBEMSA-N	587.705	7.475	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cccc(Cl)c2)cc1	408843147	QODLNEIWEPNYMW-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)cc2)cc1	408845735	ZDCORLDACGPSLE-HWLOXFRGSA-N	574.725	6.231	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC	408847578	SYMMAEWESYHXRK-QMJAREOGSA-N	579.609	5.347	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	408847954	OMKASPHPGBRUTA-PQKVGRGHSA-N	787.439	9.158	50	40	KKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1C	408855698	GQXYFBXCBLBLSN-IPHFVPNQSA-N	544.655	6.719	50	40	KKGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408860726	CQFPIKHINQTTIJ-KEIPNQJHSA-N	584.097	6.418	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408862157	CYDWGAGLJXKFFR-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1Cc1cc(C)cc(C)c1	408867894	OICAPYYBOXIZGF-ZMOGYAJESA-N	517.467	7.218	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OS(=O)(=O)c1ccccc1	408878511	BPGILJYQTMTMPB-OVCLIPMQSA-N	641.283	6.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccc(F)cc1	408924242	MFPXKSUBSTTWGH-WOJGMQOQSA-N	539.357	5.810	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)c(OC)c1	408924572	PIAZPGWTPRSWJK-VIIJZLMMSA-N	792.627	6.151	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1cccc(Cl)c1	408949464	QZEVJKFNFBHZNJ-MHZLTWQESA-N	797.897	6.171	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1	408969110	HMOIDLYGQAFSJC-MEUFMMLUSA-N	609.466	6.115	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408969700	SDVKMSFDAJVGKZ-XRRLDJLYSA-N	607.332	5.800	50	40	KKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408970114	AVBONCGVGYHLAC-YZGGPQNMSA-N	537.447	5.428	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408992973	VHYDKTXIRAPMIL-BUVRLJJBSA-N	531.008	6.599	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1	408999288	UNHHYFMYQXOCSY-HUMNLGMNSA-N	647.323	6.847	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1	409012054	HJKQBCUVPGFZBY-LCLKCRRUSA-N	575.449	5.919	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Cl)Nc1ccccc1	409012168	JIIMUIVFPOPMMJ-KVSWJAHQSA-N	652.670	6.235	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1ccccc1Cl	409020595	QWLZSOFADDRPIC-VPUKRXIYSA-N	765.567	7.409	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1cccc(C)c1	409023363	LERPTKGMFMCECV-ACXHZZMFSA-N	548.437	5.813	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	409028524	OONLNXDQIWEYLO-OPNWOVGQSA-N	570.671	5.426	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1cccc(Cl)c1	409036211	AROBTQIVEXBRRR-KVAAJVFYSA-N	603.531	8.212	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409036581	RUJUMKVUPZKTIR-FZPRHHONSA-N	754.322	7.362	50	40	KKGB	
COc1cccc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1OCc1ccc(Cl)cc1	409081578	QDGYYTQDRNLKEH-KYHGBAKBSA-N	525.992	5.546	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1cccc(Cl)c1	409131086	JPLVHKYONBKXSH-QHCPKHFHSA-N	589.861	5.652	50	40	KKGB	
CCOc1ccccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccc(Cl)cc1	409141904	KDJLJNNGVAWWHO-UHFFFAOYSA-N	548.149	6.711	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)cc1	409150981	FRATWWIJPGUZJV-VTNSRFBWSA-N	623.504	5.136	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409161191	ZEISQVSJRPRXIL-ZHSUKTGHSA-N	697.357	5.514	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	409185391	YFQWPTYBWQNUGN-VTNSRFBWSA-N	623.529	5.086	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1	409225476	QBWNUCXBQVFMOO-DFVXWSOYSA-N	572.448	6.937	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	409234411	ZVJCNPBMLWHGCD-HAHDFKILSA-N	549.980	7.891	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1	409243135	YXVKDKLPHHVZSB-PPDIBHTLSA-N	632.186	5.446	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1	409250083	PMYWLYHNLVBQGL-VBNMEBLOSA-N	574.700	7.228	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)c1C	409264946	HEMLMGVDDVZYDN-NVMNQCDNSA-N	539.375	6.082	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)cc1	409266186	PRSMWMZDVKGEBX-BKUYFWCQSA-N	517.969	5.307	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409311250	DZVMJANQHQHVLM-MWLSYYOVSA-N	678.436	6.250	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409317071	OLOBVROPMJQACR-VYYCAZPPSA-N	558.385	5.116	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1OCC	409319871	NAIXPOJHJFWXSZ-MNDYBZJGSA-N	533.839	6.953	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409321613	TXQZWTNPLFTUBH-CNCDYAKUSA-N	595.958	7.019	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3Br)NC(=O)[C@H]2C(=O)OC)cc1Cl	409323089	MYSQYAJKBPFVRG-SFTDATJTSA-N	627.344	5.573	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1OC	409333428	PCQRWSYURACORY-CPDSRJINSA-N	651.739	6.220	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1	409375690	NZEZPCKMYMFQHU-FXMZOFOKSA-N	524.763	5.333	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccc(Cl)cc1	409383773	GJCWIFAMRYPOBN-YBFXNURJSA-N	557.922	8.347	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2n1Cc1ccccc1Cl	409387887	XWLOQDYUGALDTF-CCVNUDIWSA-N	502.983	6.538	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	409388346	UFABZZMFPOWIGA-ATVHPVEESA-N	540.801	5.674	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396352	NBEXFVWVQAVIKI-UHFFFAOYSA-N	596.083	7.441	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)c(-c3ccccc3Cl)c2c1	409396827	BQBYKWQRNZPMNF-UHFFFAOYSA-N	622.892	7.795	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409396883	CLDSTWWPMDHSQU-UHFFFAOYSA-N	644.953	8.249	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409399339	ZSLWLVYUYFQIQM-UHFFFAOYSA-N	531.612	6.834	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)N1CCOCC1	409400790	FLUDIHVXZNTCTJ-KMUKQRDJSA-N	635.117	5.320	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)OC	409403605	NNGVIDRTTBKGRY-OHUYPAJKSA-N	571.630	5.319	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC(C)=O	409405270	SNMNJLDQEWSBRV-UHFFFAOYSA-N	580.435	5.726	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cc(Br)cc(Br)c1OC	679471	CFFWXMDROWVUEZ-QGZVFWFLSA-N	534.204	5.002	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	935061	ZJOLYYLRFOXWMF-YMGIJWJESA-N	518.436	5.823	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)ccc3O)nnc2-c2ccc(Cl)cc2)cc1	1893650	RTDYHQWPBUCMSJ-CCVNUDIWSA-N	586.899	5.697	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	2209687	YTVGDQMPQPEOCU-OCSSWDANSA-N	546.718	5.666	50	40	KKGB	
COc1ccccc1/C=C/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3	2212016	ULZUESRHSLDAAX-OXQZUZNTSA-N	530.675	5.242	50	40	KKGB	
N#C/C(=C\Nc1ccc(I)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	2277405	VGENNNDZSOOXQO-HMMYKYKNSA-N	505.384	7.058	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)NC2=C1C(=O)CCC2	2309509	DIMJDOLONFFQCO-VWLOTQADSA-N	508.043	5.848	50	40	KKGB	
N#C/C(=C\c1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1)c1nn(-c2ccccc2)c(N)c1C#N	6474570	DXMUXLUTHQVNME-CJLVFECKSA-N	522.613	5.279	50	40	KKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@]12C(=O)N(Cc1ccc(Cl)cc1Cl)c1ccccc12	9281477	RHQNILHKKHKPKJ-MHZLTWQESA-N	514.372	5.303	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc2c(c1)Cc1ccccc1-2	15978165	NWNKNODMWITNQR-XBQJKBNESA-N	508.621	7.658	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)cc1	20243753	BRRQCSBNOUFQJA-ROCQKPIASA-N	504.881	6.449	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1	27023348	JVYMWEMOWIATHM-SILNSSARSA-N	519.095	7.688	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1cccc(I)c1	59447316	IKTRJXUWJSPZNI-JVWAILMASA-N	506.343	5.787	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)cc1	60028450	ZEKDCMRPIVSDRT-UOPFNSGPSA-N	532.604	5.795	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OCc1cccc2ccccc12	97957802	UMYUMXASQGVCJR-FMFFXOCNSA-N	615.471	6.977	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1N=P(/C=C1\N(C)c2ccccc2C1(C)C)(c1ccccc1)c1ccccc1	97983618	VZPJFZLURZMNAW-SWKFRHMKSA-N	523.573	7.356	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)cc1	100126587	GPXBFCRQFWYOSC-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100129382	FVPWIPJXEACSAU-ZMGVVAQMSA-N	603.959	6.396	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	100343682	YTTXCAIOWZQQQN-HNSNBQBZSA-N	601.729	5.024	50	40	KKGB	
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	100451516	HIAUHCLBBDBOBW-IQZHWODWSA-N	534.059	7.429	50	40	KKGB	
COc1cccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)c1	102436657	OTYTVPUDHOSGTC-ZOJKJTATSA-N	626.524	5.432	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cc(Cl)ccc2C)N=C2CCCC(O)=C21	102873637	XACYDQYRUYGNQU-RUZDIDTESA-N	508.043	6.688	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)NNc1nc(CSc2ccc(Br)cc2)nc2sc3c(c12)CCCC3	102909326	BCMQRHJVEDEICZ-UHFFFAOYSA-N	589.968	7.044	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(C(=O)O)cc1	103890085	FDLYQDKNOQUJPX-MFOYZWKCSA-N	576.230	6.587	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1cccnc1	104127805	SKECFSGQPRQYNE-WBJUKZOJSA-N	548.602	5.201	50	40	KKGB	
O=C(CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1)N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O	104307042	FLWSLQDKSRAEOV-NKNPGPOFSA-N	574.424	6.828	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OCC)c2)cc1	104403273	QSCBNHYJVQKJAB-RWPZCVJISA-N	623.285	6.194	50	40	KKGB	
O=C(Nc1nccs1)c1nc(-c2ccccc2)sc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	104476169	QNXCLPFCXYJFAZ-UHFFFAOYSA-O	548.653	6.138	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=C1CCCCCCCCCCC1	105530231	MBRIKTDJEOZWSM-UHFFFAOYSA-N	576.601	6.459	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H](Br)[C@@H](Br)[C@@]21C	123289454	PHKGSDJTFGIGIZ-KDTNUOGGSA-N	590.437	6.913	50	40	KKGB	
O=C(CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	150452716	APTALUDFBFRHES-UHFFFAOYSA-N	635.042	6.090	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	216061700	MUMSKSULRUNYSK-JFLMPSFJSA-N	640.259	6.028	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408541320	FXBOXRSGUNCMOB-JAIQZWGSSA-N	512.787	6.843	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1ccc2ccccc2c1	408548540	ILAYHHZHYPVDSY-YVNNLAQVSA-N	537.226	8.147	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccccc1Cl	408591864	VSTNDIZHNXOAKG-OPEKNORGSA-N	661.621	5.800	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4cc(C(F)(F)F)ccc4N4CCOCC4)cc3)[nH]c2cc1C	408602084	AIIOXKIMKPKCHS-PXLXIMEGSA-N	575.591	6.117	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCc3ccc(Br)cc3)CC2=O)cc1	408602344	DAPYEXYUXRNOKL-HXUWFJFHSA-N	538.442	5.095	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5C[C@H](Br)[C@@H](Br)C[C@H]5C4=O)c(C)c3)CC2=O)cc1Cl	408639301	FOPACFPRMSSAOL-MKCNHSFFSA-N	652.767	5.342	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408646738	UIBLXMDVSOCWDE-NSEXGNSCSA-N	519.400	5.138	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl	408728666	RAFIJSHIGRJZLW-IPBVOBEMSA-N	566.235	6.226	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br	408734714	IRPPZCQLFWBVLG-RIYZIHGNSA-N	510.613	6.284	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)c2-c2ccccc2)cc1	408740654	CURVMJBZFGKYLE-QUPMIFSKSA-N	523.636	8.064	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1	408743313	FRCDMYZLCXGPEZ-WQRHYEAKSA-N	574.244	6.874	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c1	408745024	OUGXKYRLJWDYDU-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccc(C)cc1	408749456	OXKRFTBYHWDPTD-CVKSISIWSA-N	541.676	5.014	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1CC=C	408756477	VOAUIHVOJHAPIP-BOPFTXTBSA-N	502.206	6.051	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408763035	GXMUHUQJJZYILO-LPYMAVHISA-N	561.863	7.779	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OCc1cccc2ccccc12	408763772	KBIXAXRQWZAPLP-HEBRPIARSA-N	638.584	5.952	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408764242	WMLLVDCNQPNOKI-WQRHYEAKSA-N	614.430	5.272	50	40	KKGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OCC	408770761	CDTNJPAQPDYZHH-ROTLSHHCSA-N	520.289	5.261	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccc(F)cc1	408783190	LWBCWIAYRQFDKZ-UNOMPAQXSA-N	524.390	5.787	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1C	408789781	LHQVGSMORLQEJF-VXLYETTFSA-N	652.245	6.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCC	408793140	DFZJQDRUPUQJLN-OVCLIPMQSA-N	510.759	5.596	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1	408794124	HVNIKJHTCZWLRA-XDHOZWIPSA-N	511.803	6.626	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)cc1	408795993	NVPKPFJJYVRWNR-CIAFOILYSA-N	535.394	5.677	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OC(C)C	408814291	YZXVAKPIFFWOGP-VCHYOVAHSA-N	504.368	5.640	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2C)c1Cl	408818099	NAPGCHGXZQSKBG-GXDHUFHOSA-N	563.235	7.123	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408819598	XYKOVKULRNBTLS-NHFJDJAPSA-N	589.489	8.306	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C\c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1	408822269	KJJKCBGQULWEGB-WKIKZPBSSA-N	540.856	5.309	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408833699	SEIYTQNSBYZSMK-DLCNMLRHSA-N	671.559	5.551	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	408835413	WVBFSVDRSOWQCF-KGENOOAVSA-N	659.318	7.142	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408836544	SISWSAGQIGTCMZ-LPYMAVHISA-N	598.313	9.004	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408842969	KWBUPRWVQUXUDV-DPNNOFEESA-N	534.040	7.877	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408847293	UTDWPZGNMQCOGO-AABVJFSESA-N	607.950	8.857	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408858757	LQUAOKXEJGFUHU-KBVAKVRCSA-N	563.598	5.157	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2ccccc2)c1	408863245	MJBTZVGMEIEMAQ-QNKGDIEWSA-N	575.090	5.713	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408863872	VABYCFZKIZIQSX-XODNFHPESA-N	615.333	5.260	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(C)c(C)c2)cc1	408864516	WPPVFBATBDTGQH-HPNXWYHWSA-N	591.733	6.690	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cc([N+](=O)[O-])ccc1O	408866834	GWBSCXVQXZUFQF-MYKKPKGFSA-N	504.724	5.059	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1Cc1ccccc1Cl	408869489	SBGBDEWYOSPEKW-WOJGMQOQSA-N	577.249	7.133	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408879087	FHKPZQXGLNZADQ-IIHBXENTSA-N	663.472	6.647	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1	408885395	ZERIIJJNBDPOJZ-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408888309	YVKJMUFOUUIOKT-WOJGMQOQSA-N	633.420	5.138	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2Br)cc1	408897545	XUFKNECLFZWBRV-WOJGMQOQSA-N	556.394	5.288	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl	408904799	OWKVQIKCPJSYJC-ULPWCQAASA-N	654.244	6.994	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C(=O)OCC)cc2)c(OCC)c1	408950734	SHMJNUBSFQOCNL-WJOKGBTCSA-N	800.672	5.331	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408963857	PTAROQVAYKOOEO-VFLNYLIXSA-N	521.879	6.009	50	40	KKGB	
C=CCc1ccccc1OCCOc1c(Br)cc(/C=N/NC(=O)Nc2ccccc2)cc1OC	408971365	IYZJBVGCMZHCPU-MTDXEUNCSA-N	524.415	5.800	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccccc1Cl	408976277	AIBHLQWRRQJKHG-OGJVGATRSA-N	606.144	6.186	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1cccc2ccccc12	408984569	RWXZPWWRTLWSBG-XKZIYDEJSA-N	561.863	7.697	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccc(I)cc1	409009631	HCUYVZJJKWBODS-VFLNYLIXSA-N	745.149	7.146	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccccc2OC)cc1	409028780	SJNIWZSKZWXECH-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)cc2)S(C)(=O)=O)cc1	409028943	VCMUZENHFVVMLJ-ZCTHSVRISA-N	572.643	5.212	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409038323	FFQRTGHEYMEJNL-ATZGPIRCSA-N	617.956	8.313	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409040236	FXDVAAUFXUAZIE-LPYMAVHISA-N	503.986	5.288	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	409041488	JQZUMDMAILGGQT-RQZCQDPDSA-N	593.069	7.525	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409047674	PQOVHIDQKHBTQF-LZYBPNLTSA-N	598.188	7.494	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409063949	ASLASQJOLYGVLW-LFIBNONCSA-N	536.915	5.681	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1Cl	409071427	JYAWGUJXGLZTLR-RQZCQDPDSA-N	501.753	6.470	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	409142540	KRTMTRSOFYLZGH-HXUWFJFHSA-N	548.206	5.744	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CNc5ccc(I)cc5)(c5ccccc54)[C@H]3C2=O)cc1	409178019	KFPCMSXCCMITNV-AAIMUKTOSA-N	666.519	5.365	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1cccc(F)c1	409186492	CSPGVIFXTASZKG-BRJLIKDPSA-N	506.169	5.694	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409246248	GZUKPPOMBYVZBM-PXNMLYILSA-N	692.188	7.178	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cl	409247388	BWZIACWKGBGWIN-ZRGSRPPYSA-N	521.198	5.537	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)cc1C	409253691	YAYHQQNAQCDOCW-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)c(C)c1	409254029	HJXODFHLNIKOJT-LPYMAVHISA-N	532.438	6.246	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409254766	FMIAQEZNACDXFK-IPBVOBEMSA-N	677.562	6.611	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	409264274	OGJZNPARDSDYSZ-KKMKTNMSSA-N	598.666	5.848	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409272107	OPKVWZJYOHZXJI-NVJOKUIPSA-N	609.702	5.963	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC	409318718	XKMYRACEFKHKES-RHANQZHGSA-N	586.426	5.606	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)ccc1OCc1ccccc1	409320004	OOORAZVJGMPDEL-DXJNIWACSA-N	525.561	5.915	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1OCC	409320626	CCYNOIUUTSXJQS-MWLSYYOVSA-N	529.406	6.119	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1OCC	409337316	XSAAQABCFFPINH-MNDYBZJGSA-N	519.400	6.663	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1	409363936	VBBYBDDJQLKJEE-KVSWJAHQSA-N	565.237	5.501	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccccc1	409364360	PFZWNCFRAHQENQ-AEUUOICLSA-N	606.050	6.247	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1	409371161	BXXIOXNSVCWJBD-ZDLGFXPLSA-N	514.173	6.763	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	409386456	QDYDJRXAJMAMMP-RPPGKUMJSA-N	554.378	5.613	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccccc1Cl	409395386	NBANCAJRMOJFKO-UHFFFAOYSA-N	736.247	9.803	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409397272	IDRDFECEWPGKBY-UHFFFAOYSA-N	568.427	6.589	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl	409397787	OCCUPWBLHFDRCX-UHFFFAOYSA-N	684.317	7.738	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1	1529547211	JPUKZQBEHQEWHS-FAUQODKRSA-N	671.559	5.186	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl	2201658	LTIXTIPNCZPHDY-HSZRJFAPSA-N	532.449	5.251	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1	2349421	VWGXIWRYGKQVIA-HMMYKYKNSA-N	508.043	6.637	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	2670122	PYJSNVZLOZBWSI-LFIBNONCSA-N	571.869	8.358	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1	4062700	VLWLSIQPLLAMFF-WKULSOCRSA-N	588.443	7.248	50	40	KKGB	
Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6244742	PTDRKHUVHOXYEB-FGKZOVKWSA-N	564.878	8.157	50	40	KKGB	
O=C(N/N=C/c1cc(OCc2cccc(Br)c2)ccc1Br)c1ccn(Cc2ccc(Cl)cc2Cl)n1	8398124	AHPZFFHXYHNHJB-VVEOGCPPSA-N	637.159	7.106	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	11024235	PLNURRIDZIMGID-VWLOTQADSA-N	594.922	6.204	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCCCCCCCC	59900583	XNTUJOTWIMFEQS-UHFFFAOYSA-N	566.952	12.511	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)NCc1ccccc1	97960793	XUPBIAUSZWCOQZ-VFCFBJKWSA-N	558.479	7.797	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(=O)OCc3ccccc3)=C(C)N2)c([N+](=O)[O-])c1	98048726	OSILNZCXZUCLPT-NDEPHWFRSA-N	605.072	6.068	50	40	KKGB	
O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1	100011154	HSOJHLCVUNOMBD-ZXHXELASSA-N	530.584	5.051	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)OC(C)(C)C	100221950	KYSDBVSJLBOZDZ-WUFINQPMSA-N	562.711	5.487	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100877752	CFQGPYXFJOZPIB-BDPHVXEFSA-N	534.435	5.523	50	40	KKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(SSc2cc(OCc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCc1ccccc1	100931832	ZKHMJWDCVKUQHQ-UHFFFAOYSA-N	610.582	7.277	50	40	KKGB	
C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(C(=O)OCC)c1C	101089939	SWAURLXAKVYZOP-QNGOZBTKSA-N	529.643	6.829	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1OCc1ccccc1	101504155	ZJQNHBCLCZEWKS-SEBMTOOBSA-N	619.791	7.370	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Br)cc1	101655237	MUUVGZMTXBZENN-ZRGSRPPYSA-N	538.310	5.145	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2Cl)N1	102808891	FFJQSGKPOKXRSF-RUZDIDTESA-N	583.928	7.353	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	103878319	SANCTZJXPGSPTO-AUEPDCJTSA-N	557.036	6.049	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCC(=O)OC	103890682	VWMPRBZLUMCIIY-QPEQYQDCSA-N	528.186	5.252	50	40	KKGB	
Fc1cc(N(CCCl)CCCl)ccc1CNCCCNCc1ccc(N(CCCl)CCCl)cc1F	104079054	GAQGWECOHNQDIX-UHFFFAOYSA-N	570.383	5.802	50	40	KKGB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CSc1ccc(N(CCCl)CCCl)cc1	118934997	IIAURZWRQXTDJL-OXEBZGONSA-N	594.645	5.866	50	40	KKGB	
CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341491	BSRDSFXTGRXAAV-NSHDSACASA-N	900.283	12.871	50	40	KKGB	
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC	196265725	BDTYMGCNULYACO-WVZYQCMWSA-N	542.889	11.683	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	216064018	QIOYZKGWFXVAEY-BIZUNTBRSA-N	608.476	6.975	50	40	KKGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1	254309915	LDENIJIWBUXUTI-ILOWLOCFSA-N	581.345	5.587	50	40	KKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@H](OC(=O)c6ccccc6)CC[C@]5(C)C3=CC[C@]12C)OO4	257349575	OZOBOQMZNAZDEM-XTTZWGSMSA-N	530.749	8.258	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccccc1	408529323	JDFCMGSJRIXGDW-NDENLUEZSA-N	560.229	7.096	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2OC)ccc1OCc1ccccc1	408538290	KKNLGRCFSPCONP-ZVHZXABRSA-N	573.020	7.200	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCC(=O)Nc1ccccc1	408570763	YFUAGMFHOISWBT-YVLHZVERSA-N	535.373	5.945	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccccc1	408641536	CPGSBFQOJMQVNB-FFTGTZRRSA-N	629.132	5.011	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408673931	WDVUAXGCZVPWGQ-FZDBZEDMSA-N	554.666	5.327	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)Cn1cnc2ccccc21	408691633	JJILNMAPXJCPJO-APSNUPSMSA-N	592.118	8.054	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1	408722074	CYUNJQLXSRNPBE-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Br)cc1	408742467	ALKQUEGUQLZPTN-ULJHMMPZSA-N	561.476	7.100	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)c1	408743324	FTNKCPRIGBRRTC-ZDLGFXPLSA-N	607.673	7.140	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408747075	YZJNMTWKAGCAJA-SXGWCWSVSA-N	675.091	7.327	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)CSc3nc4ccccc4[nH]3)cc2Br)cc1	408753412	MPJXAYREYIAVPY-RPPGKUMJSA-N	638.363	5.406	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	408757588	AKKPWQUWGDJBCM-LFVJCYFKSA-N	555.428	6.904	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1cccc2ccccc12	408758286	IHPKEAZQLQWOMY-MTJSOVHGSA-N	592.287	7.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OCc1cccc2ccccc12	408760793	GCRSYPVSDRMBES-YZSQISJMSA-N	624.478	8.121	50	40	KKGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br	408762528	OTONMGWCYOBTRQ-WZUFQYTHSA-N	514.999	5.528	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc(C(C)(C)C)c1O	408762948	MAFZTXKYQCDTLF-BIZUNTBRSA-N	545.636	6.198	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2C)ccc1I	408786912	XILUWYSYZASXSX-MUFRIFMGSA-N	550.444	6.179	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(I)c2)cc1	408789559	KBURVKLQRMEVHZ-DEDYPNTBSA-N	570.358	5.732	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408792749	CIBCNADVFUIKHN-RQZCQDPDSA-N	625.144	8.042	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I	408792761	CLMAGXXFBUKZHG-NTUHNPAUSA-N	588.570	5.107	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408794744	SRTRYSVMQSSIOR-OEAKJJBVSA-N	638.345	8.468	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408796130	OERINUNDPPUAEN-FRKPEAEDSA-N	649.195	5.995	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408797398	RQTJDYGZRJGMIZ-LZYBPNLTSA-N	675.091	7.327	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408798706	WSGHLGVSUUNVOX-LZYBPNLTSA-N	594.192	6.631	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1	408806508	BAMLJIFSCLJUJU-IWIPYMOSSA-N	517.423	5.989	50	40	KKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408822061	AGVNBWFOIUPCMI-RCCKNPSSSA-N	521.411	6.371	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OC	408822504	AYWKZBFWRWDVJH-XDHOZWIPSA-N	588.829	6.477	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408823875	GSERVEZGQGBPQQ-JVWAILMASA-N	692.981	8.664	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc(C)cc1	408827923	LBBNKSZXLCGVSM-AFUMVMLFSA-N	666.399	9.167	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(CSCc2ccccc2)cc1	408838551	XVCZCCGPZFQTEE-FDAWAROLSA-N	501.051	7.116	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCC(=O)O	408838860	JISMEYKLMKHZQM-XKJRVUDJSA-N	615.893	6.206	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cccc(Cl)c2)cc1	408839659	BRVPSECSXWWZHP-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(OCC)c1OCc1ccccc1C#N	408839739	WABUNTRNLIVVLH-LALXJTNGSA-N	648.188	8.549	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408840066	XJELSLWPMAJWBL-WCMJOSRZSA-N	621.831	6.246	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	408840169	BRCHSVOAZLDCFS-WVKHYPTHSA-N	621.688	8.723	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408840732	DKQILVAXVJKRFZ-XODNFHPESA-N	527.433	6.642	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408843988	USHMRLOFSLKZCA-JWGURIENSA-N	580.493	6.832	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(OC)c(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408845803	LNRMXVXTOSMIQN-KNBZMSCYSA-N	710.044	8.031	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(I)cc1	408848755	SLEOODXURVOXGE-NTFVMDSBSA-N	536.369	6.109	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2cccc(Cl)c2C)cc1	408864181	XERBEZPUVYIRDI-QLQYKETESA-N	612.151	7.035	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1	408879597	HBHGTUBYXPAQCV-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OC(=O)c1cccc2ccccc12	408881682	NZTLZLCGAREUID-CPNJWEJPSA-N	571.383	6.074	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1	408882087	PHOVNNUFQGLTOC-LICLKQGHSA-N	504.186	7.031	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1	408882368	QXMHPTPHLIBXCX-CPNJWEJPSA-N	558.803	6.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccccc1Cl	408884320	YGPWZAUUCUDRFC-XDHOZWIPSA-N	558.803	6.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1	408884881	YWRCBHBKHNZLSH-UDWIEESQSA-N	502.483	5.335	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408889539	DXFSWBKRXGFCEZ-MWBNBJEGSA-N	585.572	7.965	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408891349	PAXITAFCXMRBBJ-VCHYOVAHSA-N	622.868	5.883	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1Br	408898794	NAQIIYACSNSUAH-WOJGMQOQSA-N	635.150	7.497	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408899244	OKTIKWAXLMRZGG-KGENOOAVSA-N	533.005	6.124	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	408921608	BIHWLZLRAKPBBJ-RCCKNPSSSA-N	527.558	5.678	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408939298	IJCXFHLWUGFXFA-YCPBAFNGSA-N	569.637	5.440	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1	408946965	NDUNNSQAJPIQTL-GDLZYMKVSA-N	716.054	5.965	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C)cc2)c(OC)c1	408949423	QWWCQAVYDGXTLP-LJAQVGFWSA-N	728.609	5.072	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c(OC)c1	408949843	GGWVIFHRXNTXIE-PMJAWKLHSA-N	710.398	6.608	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(OCc2ccccc2Cl)cc1	408950442	KGFIESBGULNTCI-OCSSWDANSA-N	555.439	6.104	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)c(OC)c1	408951473	IWJXWGYRWSMXBM-HVJLQFNCSA-N	767.404	5.906	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c([N+](=O)[O-])c2)c(OC)c1	408956190	PUEDQIYHSZTYTP-IRWRTZFPSA-N	730.956	5.318	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(OC)c1	408956257	QEOIUGVKJYKINL-FEFDWTNPSA-N	641.508	5.301	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408962039	FXFGHUMEPKZINP-KLPHOBTLSA-N	590.223	7.516	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc(Br)c1OCc1ccc(Cl)cc1	408973201	KCPUDJIYWMVQMQ-GESPGMLMSA-N	560.861	5.349	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1	408992276	RDKBZAQQJNVDLT-XDHOZWIPSA-N	646.537	8.460	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1cccc(F)c1	409017220	LOJJEKLIHJWQHI-NVJOKUIPSA-N	578.765	6.181	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	409019957	YJJIEYYZKJFKGB-FAAXFWDVSA-N	589.314	5.222	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1OCc1ccccc1F)c1cc(-c2ccccc2)nc2ccccc12	409033291	KUPDKXCWNZCPGH-KVAAJVFYSA-N	727.315	7.593	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(Br)cc1	409042485	XPDKONAXZJIFJP-FABQOPTDSA-N	645.351	7.778	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409066539	LMZHQGZLNBSRAT-LFIBNONCSA-N	515.374	6.365	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3C#N)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409124718	BMGIHTXXRHQLMZ-AREMUKBSSA-N	517.029	5.173	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)Cc3ccc(Cl)cc3)c3ccccc32)cc1Cl	409147612	YXELFUNOSAVMTK-QLJGTJTISA-N	594.498	6.197	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F	409163586	UMIGCYFBHZZAOE-XJECJHNESA-N	584.595	5.012	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	409210391	JGXGNACBOHEQCZ-XODNFHPESA-N	612.771	7.085	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccc(Br)cc1	409221767	AHYMMOCDXPGPPE-UHFFFAOYSA-N	586.442	6.002	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1cccc(C)c1	409231520	JPCGXJAOKHPFKI-IWIPYMOSSA-N	519.439	6.001	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1	409235734	DJCWOLBREJYBQS-PPDIBHTLSA-N	510.190	6.167	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccc(C)cc1	409241848	SIMQJRXGYFUEFV-UVHMKAGCSA-N	590.487	5.227	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409243309	XHYBRNIRJKVQKP-JCMHNJIXSA-N	580.454	5.660	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409245983	CAGHWAYURPZBFJ-UUYOSTAYSA-N	551.362	7.746	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br)Nc1ccccc1Cl	409257453	OYPIHRJRUDATFZ-BCHBDCPOSA-N	644.545	6.409	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1C	409258730	ZRLBXEWJULGICR-XKZIYDEJSA-N	532.438	6.246	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)ccc1OCc1ccccc1	409259242	XONCKBSFQRCEGW-GXBUFBABSA-N	551.643	6.063	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409269935	BIMXSIRITWPCIQ-YBFXNURJSA-N	568.855	6.291	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409327140	QGZXIJSBGZUXRW-XODNFHPESA-N	536.253	6.806	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409362522	HIDNOFYASWKPJB-VHFSBPNMSA-N	688.579	7.635	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1c(F)cccc1Cl	409367691	DONNBJRHERHYKS-FXMZOFOKSA-N	607.716	5.890	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(I)cc1	409371231	GFMNUUIOGHZYTH-MFOYZWKCSA-N	734.069	7.052	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2OC)cc1	409380116	IJPRVLWEPPALMD-XMHGGMMESA-N	550.409	5.420	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)cc1	409394898	HEHRIIDGTHNWLO-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409395776	RPHZXQQAAUSXTG-UHFFFAOYSA-N	710.766	8.213	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)cc1	409395936	UEFOGYQQTRVQEK-UHFFFAOYSA-N	576.867	8.087	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Br)cc4c3-c3ccccc3)cc2OCC)cc1OCC	409396528	VTNGJOFFYDLPCY-UHFFFAOYSA-N	670.560	7.777	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)[nH]c12	409397109	GHTJPJPNLDWTMV-UHFFFAOYSA-N	566.057	7.351	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc5c(c4)OCO5)c(Br)c3)o2)cc1	409403786	OBCYJFABUZSLBZ-HTVDVWKISA-N	676.951	7.754	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc(F)cc2)cc1Br	1529545785	BJGVYFXQKSKATD-MOEPSENCSA-N	685.572	5.061	50	40	KKGB	
CC1(C)CC[C@]2(C(=O)n3cnc(-c4ccccn4)c3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1	1857523222	NXUDOCUNEVFUGK-DIJMLVISSA-N	618.822	7.805	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1	1770818	FREVVFOLKJSJHF-SFQUDFHCSA-N	511.397	5.909	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1	2097097	HHEDZVDCMNNGSH-ANRZLXOVSA-N	520.662	5.972	50	40	KKGB	
c1cc2ccc3c(SSc4c5ccccc5c5ccc6cccc7ccc4c5c76)c4ccccc4c4ccc(c1)c2c34	5015144	NMNQDBVSUYVKHI-UHFFFAOYSA-N	566.750	12.587	50	40	KKGB	
CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O	16741533	NGHYBKSLRVNNCJ-IMRQLAEWSA-N	508.622	6.109	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(C)cc1	59856057	YPPVWIGSAAWXTH-MUFRIFMGSA-N	583.022	5.171	50	40	KKGB	
CCOC(=O)c1ccc(/N=C(O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2)cc1	97968674	MSAVHHMZKKJNAI-HEQFHQOESA-N	566.466	6.885	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)c(Cl)c1)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	97980602	ZDUUUKIVZIUQED-SWGQDTFXSA-N	569.264	5.031	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccccc1	100287712	ZWJPWSOLNJXUEM-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1OCc1ccc(Br)cc1	100371255	NQLMILJUNASLHV-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(COc2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)Nc1ccccc1S2	102978161	LQVZUCKVQUIOTG-GOJREDGKSA-N	541.676	8.295	50	40	KKGB	
Cc1cccc(NC(=O)Cn2cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)c1	103610191	IBTJPRKZKIXBTE-NUJZUDFISA-N	529.394	5.861	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccccc1	103776339	IAWUWUKDCGZDOX-YVLHZVERSA-N	549.195	6.723	50	40	KKGB	
C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1)C(=O)O	103794492	GGGZXGFSHUOQAN-ICBBGLBOSA-N	529.596	6.427	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1	103889822	XCYMMKVCIPUSDX-MFOYZWKCSA-N	531.779	6.478	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OCc1ccc(Cl)cc1	112265022	GNNMJVAKMCCNTL-WYMPLXKRSA-N	524.742	5.279	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	150586815	YXWWYCZVWBVGCR-PXNMLYILSA-N	685.643	6.582	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795419	VTMMDMXVPZHRTC-GJZGRUSLSA-N	900.249	12.601	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408529297	JCDQDAZNSNAZLN-XODNFHPESA-N	599.252	6.105	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)c3ccc4ccccc4c3)cc2I)c1	408549479	UHEJIGGJMSJLNL-QFEZKATASA-N	501.367	7.396	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1[N+](=O)[O-]	408598644	GYOXKCUEHFAIFN-WYMPLXKRSA-N	533.176	5.463	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408645198	HSZAUWXEWJRGHF-UDZALUMHSA-N	766.226	6.712	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc12	408727073	PQSWTGBAKRSUKB-MUFRIFMGSA-N	595.393	5.633	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408746029	WQAPTXUNIQJNMB-ZDLGFXPLSA-N	654.673	6.982	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)ccc1I	408747092	JGBZXZXIGBZWCB-OPEKNORGSA-N	525.749	5.264	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)ccc1I	408747733	SEVHAMMWTPJCRG-RPPGKUMJSA-N	640.228	5.322	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2-c2ccccc2)cc1	408780330	XKYLUHROELOELL-MHTZHOPKSA-N	606.726	7.244	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1	408790167	UMBQSABMOQFORC-GIJQJNRQSA-N	564.252	7.602	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1	408796154	NIZMFPAWRNWOKX-LPYMAVHISA-N	577.378	5.464	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccccc1Cl	408797691	SYYPSUZVVSTHIV-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1Cl	408798070	UEOWBZIKWZKYID-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	408809597	HFCCXUPCNHLXSZ-NDENLUEZSA-N	511.803	5.913	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OC(C)C	408810939	QGLFSMGRFYEREH-RIYZIHGNSA-N	541.183	5.395	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408838563	XZUDKYATYZHOKQ-QNKGDIEWSA-N	587.698	5.327	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1	408839420	RXCRWLSPOPULLO-FABQOPTDSA-N	582.081	7.407	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839454	SLXKFIYQCLIXCV-OKCVXOCRSA-N	513.022	7.133	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408843155	ROMZKDXHYLVKMK-PTEHHBOZSA-N	746.294	7.996	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408843704	RUUKCDJRHFFYHI-QNKGDIEWSA-N	574.102	6.373	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408844877	XAAAKTBJSQCUNC-YQCHCMBFSA-N	568.699	5.600	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccco2)cc1	408845912	PVIATCWSWVFNID-WKULSOCRSA-N	522.344	5.822	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408846228	XXHKZPILYUFMSC-ZHSUKTGHSA-N	661.447	6.654	50	40	KKGB	
O=C(COc1cccc(Br)c1)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408846581	OFVKSXABKHSCPB-RMORIDSASA-N	544.652	6.138	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1	408848283	SVOJHDXMWOQROD-HWIUFGAZSA-N	530.584	6.704	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408849188	YGKQUIIPVMHCSL-FZSDHLTPSA-N	614.145	9.001	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	408864418	VMFJJJNKRUOZKD-QFMPWRQOSA-N	519.711	6.174	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c(OC)c1	408871000	WTLVVXLJEMRVNP-RGVLZGJSSA-N	586.280	6.031	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cccc([N+](=O)[O-])c1	408880705	KMFQHMOMKOZSFO-OPEKNORGSA-N	523.170	6.007	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3Cl)c(OC)c2)cc1	408883003	SLCRTXDSHJEZTA-UDWIEESQSA-N	509.831	6.810	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccccc2C)cc1	408884327	TVAZWNSSNKPCKU-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
COc1cc(Br)c(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC	408889303	CFUPMPVGJAZYDV-RWPZCVJISA-N	519.480	5.850	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OC	408893222	LFENKKOIMSHXFB-RIYZIHGNSA-N	539.167	5.173	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc(C(C)(C)C)c1O	408894508	IKKWSFYEBNWDIZ-HNSNBQBZSA-N	518.629	6.428	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Br	408897243	RAJNXMMNEZHEJK-WOJGMQOQSA-N	590.699	7.388	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2Br)cc1	408922144	DLKZDZNOUAYDFI-XNTDXEJSSA-N	592.811	5.333	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(Br)c1	408950056	RMKZPDUBDJWQNF-JGCGQSQUSA-N	687.616	6.066	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	408951681	UVPREFJMCOGPFG-GKVNEZTPSA-N	607.110	7.286	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408966136	ZBVKXTZSNKNTHG-VFLNYLIXSA-N	566.330	6.118	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)c1nc2ccccc2[nH]1	408979905	DIHPLXODJCBONU-CXUHLZMHSA-N	527.191	6.870	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC(=O)OCC	408994378	ZGTKIKALJLOWIC-WQRHYEAKSA-N	517.807	5.627	50	40	KKGB	
COc1cc(/C=N/NC(C)=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408998353	IUGKMAAQDMDRSI-QPJQQBGISA-N	525.024	5.576	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC	409000173	DYDHOZCWRHOBEW-DPNNOFEESA-N	588.016	5.601	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCOCC2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409008609	YPVLCQHMEKJOOO-ODLFYWEKSA-N	621.326	5.010	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409023676	BNCVYSVUCPJFNE-STBIYBPSSA-N	564.491	5.527	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409026147	HJUBFIWHONWZPI-XRPSMCOISA-N	614.724	5.040	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2F)ccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409030291	FDRZOXJSHYYHEB-ZSNJKBEMSA-N	572.665	8.189	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	409031225	GYRWWXFYCVODCC-UXHLAJHPSA-N	514.651	6.814	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1	409060221	YLZLSQRUQXAJLC-CXUHLZMHSA-N	564.636	7.129	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)Cc2c(Cl)cccc2Cl)cc1	409062573	WYUMTZMTTFKMHI-OKCVXOCRSA-N	546.520	5.941	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	409074000	PBVJWPMEJSACJG-XNTDXEJSSA-N	507.782	5.960	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccccc1Cl	409086021	XZGWQHDMCYFWIU-NTUHNPAUSA-N	533.711	6.801	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1Cl	409126362	BINIBGUATSLPJJ-JOCHJYFZSA-N	528.834	5.420	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)cc2c1	409187585	SEMLCMYQYWIOKA-MNDYBZJGSA-N	595.393	5.659	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4)c(OC)c3)cc2c1	409188073	WSDDHBLEBMZOLG-MBTHVWNTSA-N	523.383	5.946	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409209730	IDLVFVYVYKSWGY-NVMNQCDNSA-N	503.769	7.597	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1cccc(C)c1	409213724	VNEZDOUYWVWCHL-CCVNUDIWSA-N	547.902	6.631	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c2)cc(OC)c1OC	409222195	AYLKTOOTGMMTPU-UHFFFAOYSA-N	790.259	7.235	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409222652	CRNAZMBTLZOERV-MTEVNVADSA-N	535.394	5.519	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409231728	LVIAZKKCAKLAJP-CTPANLQCSA-N	574.302	7.518	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	409247854	DATKGWSOWVGVER-VCHYOVAHSA-N	601.270	6.531	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1	409248168	CIAHSWMRXPYOSV-NDENLUEZSA-N	519.985	5.537	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409255449	ZVDVECILRBPZHB-YBFXNURJSA-N	552.400	5.777	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1Cl	409261651	CJYHYQPCRORWEC-DJKKODMXSA-N	617.725	6.414	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1OCC	409312950	OMVYOADYLCTWLA-NTFVMDSBSA-N	527.415	5.598	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OCC	409319280	CUYMWCNZEFICAT-MNBJERMJSA-N	567.480	6.463	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=C(/C#N)c2ccccc2)cc1I	409366771	YBMBTAUUGGTNSJ-NVNXTCNLSA-N	515.132	5.747	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409373742	UAKSAESESYCTDR-OKCVXOCRSA-N	578.419	6.261	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	409374147	ZCWBWALTAWXHBP-ATZGPIRCSA-N	573.874	7.760	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)oc12	409387846	SCHOBNKWKXNXJK-IPPBACCNSA-N	550.409	5.602	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409398621	UWTQXUWZZNKFSL-UHFFFAOYSA-N	605.956	7.219	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409399143	XYYVWZXFRHDWAR-UHFFFAOYSA-N	533.540	5.555	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCC(=O)O)o2)cc1	409400374	CNISGBGAOFNWOY-NUJZUDFISA-N	521.957	5.147	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2)cc1	409401489	HFKRRWZSTHPPCB-GXBUFBABSA-N	533.628	6.917	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409402096	JANRTNICVGJJMH-ACXHZZMFSA-N	550.011	5.625	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)o2)cc1	409406100	AHQGBXDQUHMCJW-WBIBEUCMSA-N	591.737	7.250	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc5c(c4)OCO5)c(I)c3)o2)cc1	409406662	XMEIZGFLYCWMLL-QMRORBIVSA-N	689.506	6.942	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(O[C@H](C)C(=O)O)c([N+](=O)[O-])c3)o2)cc1	409407485	ZWFZTKCASCMVBL-SQZAGUJWSA-N	580.981	5.444	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)o2)cc1	409407777	HOTBHIXCLOOTLS-KULFSUQXSA-N	770.272	8.537	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2C#N)c(OCC)c1	1529549221	VWEPQKANGNCRMJ-ZEVLEAJLSA-N	753.619	5.026	50	40	KKGB	
CN([C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C	1857794963	AEPFTTAAOMKDCM-LIIBOVGXSA-N	621.627	7.966	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CCC3)c(OC)c1	708323	CHMIQJFBKCAUKX-HSZRJFAPSA-N	500.624	5.099	50	40	KKGB	
COc1ccc(-c2csc(N(NC(=O)NC3CCCCC3)C(=O)Nc3ccc(Cl)cc3)n2)cc1	1415267	FYODPOKNSAPIJM-UHFFFAOYSA-N	500.024	6.058	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3c(F)cccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1815596	ZGZXNFPXWOTJIX-WCMJOSRZSA-N	552.075	6.275	50	40	KKGB	
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)N(c3cc(C(F)(F)F)ccc3Cl)C3=C2C(=O)CCC3)s1	2187808	YIDSHHCWISIMQS-OAQYLSRUSA-N	505.993	7.023	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)NC2=C1C(=O)CCC2	2312444	XRCOYDXNKCAAPF-SANMLTNESA-N	501.652	5.812	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1	2888368	GKARXHQCKRTHNM-YDYXIROLSA-N	552.881	5.845	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(OC)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667567	GTODKDGDKROYGW-DEOSSOPVSA-N	531.678	5.753	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl	8450493	HNVYDILJPGMXJV-OHUYPAJKSA-N	617.986	6.438	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@@H]3C)N=C3CC(C)(C)CC(O)=C32)cc1	13175293	RDCYZPXRHDAUKC-MYUZEXMDSA-N	513.663	6.312	50	40	KKGB	
C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccc1Br	33687276	AUGTWEIIVFGTNE-OYKKKHCWSA-N	506.809	5.057	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)c(C(=O)OCC)c1C	34828999	QWHFGECZLVTYCQ-HMAPJEAMSA-N	518.635	5.845	50	40	KKGB	
CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1	49942378	HDGJPLJAYZGFHQ-XLNRJJMWSA-N	518.635	6.715	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccccc1Cl	58853663	IIDJWRIAZWPJNU-RDRPBHBLSA-N	521.042	5.337	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1	59888588	OPUFRVYZOSFJEO-HNSNBQBZSA-N	621.115	5.096	50	40	KKGB	
N#CC(/C(O)=N/c1ccc(F)cc1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1	97970169	ICMFAUOZDZCEPW-SCIJIFGBSA-N	556.844	6.956	50	40	KKGB	
Cc1cccn2c(=O)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccccc3Cl)c(Nc3ccc(SC(F)F)cc3)nc12	97984061	DVHPBCKOMUPETA-AABVJFSESA-N	714.132	6.188	50	40	KKGB	
COc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2Br)cc1OC	98001740	DJLDNTOADUHLBS-PNQUVVCRSA-N	698.162	5.091	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccccc1Br	100120382	NGVIHBBIFDUDBP-KEIPNQJHSA-N	584.562	5.938	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332242	JDLBBBQTRHWWFF-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	100351467	JMCDKZAWXFLEBL-RGXNXFOYSA-N	623.573	5.249	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc(Br)cc1	100852539	SIDJPCKBJBRXPC-LQNQUEJISA-N	581.561	6.029	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc3ccccc23)c(OC)c1	102262806	KXWXUSMOKBPSGL-ZHZULCJRSA-N	523.501	5.530	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C(C#N)[C@@H]2c2ccco2)cc1	102760945	UBYIMKZFSDQVQM-AREMUKBSSA-N	611.507	6.470	50	40	KKGB	
CCN(CC)c1ccc(/C=C2\CCC(/C=N/NC(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)=C2N2CCOCC2)cc1	102970441	LJZYUHILMGEOPH-NRVLHNMOSA-N	615.863	5.756	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1Cl	103888801	NYMSMVZMBDNALN-YVLHZVERSA-N	536.242	7.824	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	103889122	QPCRGBYNURCMJM-SXGWCWSVSA-N	522.215	7.433	50	40	KKGB	
O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C\c1ccc(N(CCCl)CCCl)cc1)c1ccccc1	104115989	NJURUAAFSWRFSE-NTFVMDSBSA-N	545.319	6.829	50	40	KKGB	
O=C(c1ccccc1)[C@@](O)(C[C@H](c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104133465	WVPFXPQQFREMBI-NPTUGSORSA-N	578.692	7.615	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1cccc(C#N)c1	104402230	VNDOXMVPWWAZEC-CCVNUDIWSA-N	557.242	5.825	50	40	KKGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N(Cc3ccccc3)c3cccc(C(F)(F)F)c3)c2)cc1	150410731	STEFQYSVWIJBMT-UHFFFAOYSA-N	674.141	6.892	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	408534949	WXTOYQWJJBNPFT-KVSWJAHQSA-N	565.693	6.315	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)cc1	408538134	JPVRKVUJVBTEKD-OVVQPSECSA-N	564.638	6.806	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)Cc3ccccc3)cc2Br)ccc1OCc1ccccc1	408540625	URDCQXQFBWONTP-OHUYPAJKSA-N	638.356	7.071	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1ccc(C(=O)O)cc1	408541809	HTVFFGRLKIQGQX-LSCVHKIXSA-N	531.175	6.692	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1cccc2ccccc12	408549882	ATKRGCIZWNKZJG-LPYMAVHISA-N	645.522	7.390	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553552	XHFZUABGYZLRPW-UNOMPAQXSA-N	524.404	6.264	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(I)c1	408568525	KGOMJJNERWMHGS-CCVNUDIWSA-N	608.498	6.017	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)c1nc2ccc(F)cc2[nH]1	408569575	ORWQKMJCWSNRJE-NVMNQCDNSA-N	520.305	5.821	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408585814	IYNJILIKXIHZAC-IUXPMGMMSA-N	534.193	7.316	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)NNc3cc(Br)ccc3OCc3ccccc3Cl)CC2=O)cc1	408610827	UONWOLLFCGGCEY-GOSISDBHSA-N	528.834	5.486	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(Br)cc1	408676175	GNWLWECKXSDCFM-OCSSWDANSA-N	648.339	6.396	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408689422	YZJHPOXSZBRXCL-YZEAIEHJSA-N	566.677	5.183	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(F)cc1	408723286	SRONGAIRDWZDFZ-BRJLIKDPSA-N	600.169	5.378	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccccc5)(c5ccccc54)[C@H]3C2=O)c(C)c1	408729145	ATLRYQGFUCARDZ-DOSGIIKKSA-N	525.608	5.270	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1	408745167	KQOSOKJGDTUEQX-NHFJDJAPSA-N	514.028	8.319	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408745203	QBQZUPXYTHHSMQ-JAIQZWGSSA-N	521.367	5.589	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1	408746270	RILGUFKKGBARBH-IUXPMGMMSA-N	536.242	7.824	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)ccc1I	408746801	HFLRADHWVKCUKY-KBKYJPHKSA-N	600.196	5.858	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccccc1	408755625	RDVILJNWAIRQTO-MFOYZWKCSA-N	532.221	6.889	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(I)cc1	408759836	MNLGJHZHMRMDTM-PTNGSMBKSA-N	654.236	5.275	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1	408766560	VMRUHIANAJOATD-FYJGNVAPSA-N	582.394	5.601	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1	408777320	YMCVVNNKEIRTBW-PGMHBOJBSA-N	505.416	5.239	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(O)cc1	408793423	FKCVROWYLZMLIE-CXUHLZMHSA-N	593.190	6.023	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)cc1	408795335	KWSPVWHOYGQDEE-YBFXNURJSA-N	600.263	6.131	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1cccc2ccccc12	408796878	ZJXZMKZIKSRSIZ-MFKUBSTISA-N	602.472	7.585	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408811503	NTYGRXRTGDNZNE-CIAFOILYSA-N	527.964	6.843	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1	408815938	WBFOKNATKRLIDW-ZXSNDDASSA-N	564.483	7.558	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2ccccc2o1	408820245	UTLRFBRQRBVYOD-PPDIBHTLSA-N	546.190	6.440	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	408824854	BHJMDSSEMATILP-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4cc(C)ccn34)o2)cc1	408825603	DHTZSRCVNVOVIN-KYHGBAKBSA-N	590.105	5.661	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408827439	CYCGHGXVURRLRL-GZOMZLSJSA-N	726.038	7.299	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408828464	FANGFQUVOFZIPX-JJIBRWJFSA-N	529.423	7.697	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)c(OC)cc1Cl	408833572	SZWZFIZLNFOHLH-GIJQJNRQSA-N	513.377	6.144	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408837028	XZWVDWXHTNIEPO-OEAKJJBVSA-N	638.345	8.468	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc(F)cc5)c(I)c4)cc3)cs2)cc1	408845220	PQLASYKSWOZDJB-QNVXDBMFSA-N	741.424	8.711	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408845253	PTAUMLHVDHYFGH-RBWYEQHESA-N	801.955	10.473	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(Cl)cc1	408846798	ZAYHKFZBJCWOGX-HBHSWBPBSA-N	623.484	7.883	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)COc4ccc(-c5ccccc5)cc4)c3C)sc3c2CCCC3)cc1	408847023	ORQAHUCPFPEZHY-BIKKEBSBSA-N	616.787	7.791	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Br)cc1OCc1ccc(F)cc1	408850986	SVBCNPWZJVXDQX-VTNSRFBWSA-N	564.455	6.737	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(F)cc1	408854834	AAEHEBQHLNJJRT-WKIKZPBSSA-N	544.320	5.528	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1	408860019	XFBHJTZPICLQMZ-OJYCWLPVSA-N	598.928	8.212	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408868514	MUIOIQFMRJUPDN-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	408869582	SLRBJMTZCUERJK-QUPMIFSKSA-N	507.656	5.059	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1Cc1ccccc1Cl	408873434	REUMTCXPLRAXKA-VXLYETTFSA-N	544.276	7.600	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(Br)c1	408880670	HUSWIYKSFVXZAD-JLHYYAGUSA-N	531.160	6.234	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1Cc1cccc(F)c1	408880710	GXZQDPSDNUXKCC-CIAFOILYSA-N	554.403	6.528	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1	408882657	RQYLEHSAUZBPRH-WYMPLXKRSA-N	528.211	5.288	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1	408886818	MLHFDBKGGHPNFI-YBFXNURJSA-N	599.381	5.731	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1	408887386	QLALWOWMGGOMKW-CPNJWEJPSA-N	511.397	5.379	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(I)cc1	408892799	CNUSNDGFTUVJEU-CXUHLZMHSA-N	583.640	7.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408894942	LDWSIBSVRZPZLL-VGOFMYFVSA-N	622.215	7.309	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Br)cc1	408896202	QFLGWCQEBNHUKW-RCCKNPSSSA-N	505.368	5.750	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1F	408923551	JMNATYHRZLYCCA-HNSNBQBZSA-N	577.450	5.952	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408925198	KZYYBNRZFDZWGL-MWBNBJEGSA-N	645.059	5.722	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)OCC)cc2)c1-c1ccccc1	408945970	LZUMQHMJJMIWBK-LHEWISCISA-N	741.870	6.873	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409006802	LBZUWVXPOHWKHA-KMUKQRDJSA-N	616.556	6.707	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409010662	DCXKSSSELAMDSX-FSJPTQJLSA-N	593.555	6.673	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409033991	GRLKDSUELFNZED-WOJGMQOQSA-N	584.972	5.194	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409036699	LMAFLGONWNEGDA-VYYCAZPPSA-N	586.227	6.041	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCC	409040276	SUOJLLIGHUBKNZ-STBIYBPSSA-N	565.411	6.068	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cccc(Cl)c2)cc1	409146460	SSQTYXQYGJSEGN-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	409158691	YEYPFOOEUPMESU-LQKURTRISA-N	528.834	5.941	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	409159933	CBTJKRZADBCHSV-VULFUBBASA-N	532.232	5.492	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cccc(Cl)c1Cl	409167723	JUOUNTMOCUCVLH-WXMAUWIXSA-N	710.139	6.020	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	409219196	NWNIBAYPJIYDPX-DLCNMLRHSA-N	622.461	6.255	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)n1	409243223	QSGIUYNFNXXMEE-VFLNYLIXSA-N	525.461	6.375	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1ccccc1	409248308	PLGAOPGSCVLNQJ-ILRHRSLTSA-N	590.315	7.728	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409253708	BWIUKCKCEDKMFL-QDTIIGTASA-N	565.251	5.936	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409263684	NRMVEBPHLZIGPR-WOJGMQOQSA-N	538.373	5.468	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409272161	PBEGTZIRYUNBLR-GZOMZLSJSA-N	668.219	8.312	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCc3cccc(Cl)c3)c2)ccc1OCc1ccccc1	409301761	GDONDDAKXCSUNG-MZFJOGFUSA-N	515.009	6.661	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1OCC	409309328	FNESXUBVKIOSLA-PKAZHMFMSA-N	517.003	5.059	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3CC)NC(=O)[C@H]2C(=O)OC)cc1Cl	409312288	FLOVVAZHNVXQEY-GOTSBHOMSA-N	620.953	5.482	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)cc1OC	409320984	GDOYGFWPBLNIQY-NUJZUDFISA-N	618.278	5.826	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC	409333146	NMVOHSGEGBFBGK-MXAYSNPKSA-N	514.878	5.120	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccccc1Cl	409360390	FDTYYFQFXMNFMZ-FDVSRXAVSA-N	561.860	5.790	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1OC	409365626	RBWITIYKEUSFJJ-ULPWCQAASA-N	631.148	6.807	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(O)c1	409390573	FJRQFAKJYBVFAH-LUOAPIJWSA-N	554.224	5.822	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409394991	IMXSHCPFJIYTDN-UHFFFAOYSA-N	692.320	7.260	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)c1	409395058	JIQCLJKACUFMEM-UHFFFAOYSA-N	577.438	6.761	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(C)=O	409395361	MRTWGDUVNFAHKH-UHFFFAOYSA-N	774.249	8.584	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409395751	RHBRZAQDLQSYMB-UHFFFAOYSA-N	694.811	8.062	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397408	JNLZXJGGHPYTPW-UHFFFAOYSA-N	613.026	6.787	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1cccc([N+](=O)[O-])c1	409400140	BPHPGESCGGAAIM-HQDYHJHZSA-N	639.621	6.434	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(C)=O	409401641	HXTHXSBLRNHQRU-LQNQUEJISA-N	515.566	5.354	50	40	KKGB	
Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c(=O)n(-c2ccccc2)n1C	835009	NYGPONOASLZGOE-NBVRZTHBSA-N	503.356	5.053	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	1067130	AFNARGLWOBDUBE-MHZLTWQESA-N	528.703	6.380	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3SC(N)=C(C#N)[C@@H](/C=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@@H]3C2=O)cc1	1099134	HUSONRRFIFIIQC-DQGWDUNUSA-N	536.440	6.190	50	40	KKGB	
CCO/C=N/C1=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1652765	VOXLHSVVVNMELG-GTNUZBGFSA-N	506.562	5.881	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1	1814968	AITXAFYCBJINFZ-UXHLAJHPSA-N	529.666	5.491	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccccc2)cc1	2223390	JAEIWRZWBJZJBB-FDAWAROLSA-N	525.033	5.949	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3[nH]nc(C)c3-c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1	9290271	YYWZVPBVXDIOHI-RUZDIDTESA-N	514.029	5.988	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(F)cc3)n2-c2ccc(Cl)cc2)cc1	9763747	TUVUUBXYJLGRKH-LQKURTRISA-N	509.994	5.368	50	40	KKGB	
O=C(NNc1ccc2ccccc2n1)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1	53305768	RKEJMBMQEYJYKK-UHFFFAOYSA-N	527.216	5.139	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccc(F)c1	59427678	WZAUQCIUHDRBEC-UZWMFBFFSA-N	504.521	6.623	50	40	KKGB	
O=C(COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	97961934	NAPXDXUUEWGKOO-JMJMRPKZSA-N	612.686	6.138	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	100118660	GAUSHTIGHXMOME-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1Br	100119935	UXZUDNFXYIMQJI-UXHLAJHPSA-N	579.520	5.587	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(Cl)cc2C)cc1	100122620	CMKXJOSPXAXGJY-VTNSRFBWSA-N	567.086	5.849	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	100124201	IMXHPLMFPHWULQ-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332101	UPMLXQVLVDVUQY-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@@H](P(=O)(c2ccccc2)c2ccccc2)[C@@H]2C[C@@H]1[C@H]1ON=C(c3ccc(F)cc3)[C@@H]12	101023756	MWNYMQJXYBAJDE-SEPZSRDVSA-N	631.624	6.960	50	40	KKGB	
C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1cccc(I)c1	101158805	GWADDOCZDGKETH-JVWAILMASA-N	512.351	5.169	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1cccc3ccccc13)N2	102988795	UNTRCZQJGQNYGU-ADNQPUJWSA-N	531.033	7.485	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	103883484	YUZURNLTEIGXKU-HMAPJEAMSA-N	577.435	5.201	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=C(/C#N)c2cccc(C#N)c2)cc1I	109382045	NZWDUKWTOWYHKJ-APSNUPSMSA-N	540.142	5.619	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342186	YYTRCECDMFJVNC-UWTATZPHSA-N	942.051	11.564	50	40	KKGB	
FC(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342326	HJVWTMUDXNCMBC-REOHCLBHSA-N	842.037	10.293	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c1C#N	150404131	IHCIYVYSFJSTLB-QFDQHJFZSA-N	666.754	5.703	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)ccc1OCc1ccccc1	150478597	LYOQPEURDIBBNH-FNTLCPBMSA-N	654.188	7.395	50	40	KKGB	
FC(F)(F)C[C@H](I)CCCCCCCCCCCC[C@@H](I)CC(F)(F)F	169795424	PGIGBRJYJCMLBI-HZPDHXFCSA-N	614.234	9.180	50	40	KKGB	
CN(Cc1cnc2nc(N[Si](C)(C)C)nc(N[Si](C)(C)C)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)cc1	195786846	WGKDBUWDROKOAM-VWLOTQADSA-N	743.179	6.185	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1	216044904	HYCMGGXEXVYYRT-FDVSRXAVSA-N	576.862	6.232	50	40	KKGB	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21)N1CCOCC1	245232182	QCEZKCHLIFIBQP-RWDMXNMGSA-N	595.077	6.014	50	40	KKGB	
Nc1cc2c(cc1O)[C@@H]1[C@H]([C@@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@H](Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl	263602162	LYSZWEBJHYXSPZ-CYZINTJOSA-N	708.766	8.130	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	408581707	YZHFLHXJTIDPLJ-UDWIEESQSA-N	572.830	6.733	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c1OCc1c(Cl)cccc1Cl	408607017	BKMSIVMNWOUCOF-VFLNYLIXSA-N	520.800	5.001	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408639552	FXTXBBGTHLRCNZ-RJMHMIJWSA-N	631.148	5.544	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1	408745163	KOBXQRAUZFYBSR-IUXPMGMMSA-N	586.236	6.074	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1	408746591	SWWGUKNRJUHTQR-BKUYFWCQSA-N	503.385	7.280	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408746893	HHBVHYMJFWUUSP-SXGWCWSVSA-N	564.636	7.129	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Br)c1	408747269	LJMLNRNTXVSSMI-DXJNIWACSA-N	529.434	5.723	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747844	UOZGCLVDVHWGBE-MFOYZWKCSA-N	556.210	6.065	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1	408755630	REZDPRZLUVJXEG-HYARGMPZSA-N	513.391	6.736	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(C)cc1	408760300	WHJMWRCKWLKDQC-XKZIYDEJSA-N	566.293	7.373	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1	408777785	IWDUVZRRHHHZBL-JCMHNJIXSA-N	501.413	7.834	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408783930	QTDIJQMAYSHFBX-ZSOIEALJSA-N	557.288	5.751	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1	408787751	FSHFSNKDDAKWKX-VXLYETTFSA-N	649.254	6.494	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1	408792316	APZPISHBNJLXOY-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)cc1	408792541	KPOQLWOMVQWDLR-MFKUBSTISA-N	585.454	6.912	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793635	FSMGOCRYCMPBRJ-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(I)c1	408794520	ITHZVBWTLBURKF-LPYMAVHISA-N	578.837	7.531	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1	408795538	LYQZMQQOWDBYNT-VCHYOVAHSA-N	563.222	7.031	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc2ccccc2c1	408817913	OJXKIOGFHKRWJR-LJUMEUDFSA-N	543.417	7.090	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408828079	NGRRXXKNTHTQBS-HZHRSRAPSA-N	574.420	7.605	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408833769	UWRRNYBDAXWIPL-WGOQTCKBSA-N	676.405	8.622	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1cccc(C)c1	408834612	WQCJNZCZUKZZLJ-OVVQPSECSA-N	553.058	7.751	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2cccc(C(F)(F)F)c2)cc1	408837247	AVXZZASYEZUWJE-KVAAJVFYSA-N	603.066	6.420	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccccc1F	408838874	JOBYUEFDDUDWMC-QNVXDBMFSA-N	712.972	8.302	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408842032	HYDVEQZEAXDCKQ-KBVAKVRCSA-N	576.834	6.338	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Br	408844474	TURHPKMJOKNJLH-IPBVOBEMSA-N	618.273	6.688	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1	408844822	DBZAKOZBHRWEMA-LRIZEKIPSA-N	547.662	7.400	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc(F)c1	408853518	UVLQIAPLIYYROT-MUXKCCDJSA-N	558.347	5.918	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	408863247	MJEAACYPAUTVDS-AUGOTPMTSA-N	554.694	6.505	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408873083	RGUIKWZSQAIAIB-JNNAGZRYSA-N	724.120	6.073	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408876327	KWRXHBVASCOEJA-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408879119	CMPGDBHABNKQQJ-VIZOYTHASA-N	537.186	7.333	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408879387	FYHMVXPZKXZEFH-HNSNBQBZSA-N	561.679	6.566	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	408879463	GIDFQBSPWVAPNE-MHWRWJLKSA-N	532.361	5.523	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1cccc2ccccc12	408882781	SEVFSTMSYWVKMG-OEAKJJBVSA-N	575.890	8.088	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1cccc2ccccc12	408885700	FEYQXUMSYOASSU-RGVLZGJSSA-N	548.382	7.188	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	408887510	RGFQOGHJVBDKFY-CPNJWEJPSA-N	610.291	8.073	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1	408925455	TXQPSTCYBDDNSY-OLDUKCEXSA-N	715.985	5.419	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1ccccc1F	408925940	VCVQSPIZAAKGJS-XODNFHPESA-N	580.248	6.101	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1Cl	408946610	ASHWBNXQBKZYJT-CIAFOILYSA-N	564.867	6.437	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccccc2C#N)cc1	408946622	PFOHNYIQOSBYBB-CLHYIUPASA-N	762.389	7.877	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccccc1Cl	408957688	VMDRJJWXUJJOKD-WTIDAYISSA-N	691.181	5.775	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408962843	KBYRXRVNQZTNKX-HIWRWHBISA-N	537.365	7.092	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)cc2I)c1	408967711	RWILWDUILFWDOL-KVSWJAHQSA-N	639.206	5.558	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408976688	BSYUIQKJRKUFRR-BGEOKWEGSA-N	516.941	5.520	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)c1cc2cc(Cl)ccc2o1	409021995	BSWGBNKAHSBOQD-PPDIBHTLSA-N	562.645	6.954	50	40	KKGB	
C=CCOc1c(I)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409039358	QPQOXHSCNKLARH-MUFRIFMGSA-N	612.265	6.598	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(F)cc1	409048979	XUMOZYPNOSIZKS-HQDYHJHZSA-N	539.994	7.046	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1cccc(Cl)c1	409065883	NXZVRPTWCOGVIJ-CIAFOILYSA-N	526.942	7.221	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccccc1Cl	409066602	NOPNQELWHXZYEN-XNTDXEJSSA-N	596.684	6.178	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1	409092157	VUBPOYNFYRCLLV-OQLLNIDSSA-N	655.221	7.875	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)Cc2ccccc2)c(C)c1	409140523	IMPOEGFLYVUUHZ-FMFFXOCNSA-N	555.700	5.532	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1cccc(Cl)c1	409146205	RQYUDIXHCSYMBO-HSZRJFAPSA-N	574.802	5.846	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409157475	JGHWYUAFRTULBP-ROPCREHHSA-N	676.939	5.169	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccccc1Cl	409186724	HACPWMPVESGWCR-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Br)cc1	409233293	URFVCECADDDSLG-MUXKCCDJSA-N	519.798	5.912	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccccc1	409238573	KJMWFJKVOGYMQY-MIDMBNTASA-N	501.413	7.510	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)c1C	409258223	UHVGCASSEIFHHI-ODLFYWEKSA-N	583.280	6.392	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409266465	XARNVAAWIOKESK-QDYAICPJSA-N	516.812	5.729	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1OC	409323192	ZDVVNSRVDMVLSE-RHANQZHGSA-N	586.426	5.606	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409355626	DNJSMLRHGWSCSX-VPUKRXIYSA-N	555.231	6.045	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409374864	ARQSXCXIICTTPL-GZTJUZNOSA-N	556.363	5.689	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)[nH]c2c1	409391394	JCVAHZBQZWRUSK-YVLHZVERSA-N	505.328	5.885	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1cccc(C(=O)O)c1	409394286	YDDVYBUVONVRIP-JMIUGGIZSA-N	543.332	6.170	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(C)=O	409395658	QJMFKLYIDOSIFW-UHFFFAOYSA-N	748.428	7.343	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccccc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396210	GYUKSAHIYZDUOD-UHFFFAOYSA-N	626.109	7.668	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)[nH]c12	409397433	JWBWTTCQRKWARW-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398092	QKMSEAVFFYVJDN-UHFFFAOYSA-N	590.438	7.663	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409399093	XSPKZLIBMLHXJH-UHFFFAOYSA-N	534.528	5.735	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4Br)c([N+](=O)[O-])c3)o2)cc1	409400616	DUIZRCZJGGAPGW-QMRORBIVSA-N	722.390	8.042	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409401611	HSMDDANLVYKXDC-ACXHZZMFSA-N	580.866	6.458	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409402107	VHYFOXUAMOIREW-KOKCXWAISA-N	685.575	7.127	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OC(C)(C)C)c(Br)c3)o2)cc1	409403507	NGQOHKFGVAHRBK-ZMGVVAQMSA-N	598.925	7.623	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(F)cc1	409404648	QNZWQAFOAVZUAW-FRKGHFGRSA-N	739.436	8.672	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc(C)c2)c(I)c1	1529545992	CFPNXQUSIRUKPF-JRAYHQQOSA-N	698.583	5.064	50	40	KKGB	
CCCC[C@H](CC)Cn1c2cc(B(O)O)ccc2c2c1c1c(c3ccc(B(O)O)cc3n1C[C@@H](CC)CCCC)n2C[C@H](CC)CCCC	2362804410	XRXLRKUWYMDDAG-OIFRRMEBSA-N	669.569	7.713	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	1305059	UPEAJFILABEQJZ-MHZLTWQESA-N	512.635	5.911	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	1305255	QUBHLYPIRFXZKG-AREMUKBSSA-N	564.498	6.403	50	40	KKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OC	1774142	AAWUNMGIOIQVKS-XDJHFCHBSA-N	592.073	6.714	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)n1-c1ccccc1	2096769	JBGXMQBDTKGRQN-HKSDZNAFSA-N	597.144	7.264	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	3102908	ZCWCAURYVLUEEU-LQKURTRISA-N	532.350	5.423	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl	3112662	NFIMAUDEDCNBIN-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1	3770831	JFAILGJBHCBBRT-RPPGKUMJSA-N	573.197	6.209	50	40	KKGB	
O=C(c1ccc(Br)cc1)[C@@H](Br)[C@@H](c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-]	4409364	GMMLPTGIJBFXHR-QHAWAJNXSA-N	503.190	6.197	50	40	KKGB	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1Cl)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6089770	DSXQTTNZNHITDJ-JYFZDFQZSA-N	560.459	7.594	50	40	KKGB	
O=C(N[C@@H](O)C(Cl)(Cl)Cl)O[C@@H](c1ccc(Cl)cc1Cl)P(=O)(OCCCl)OCCCl	8386635	FXXZPJHMJNRCPS-NEPJUHHUSA-N	572.420	6.111	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc[nH]2)C(C#N)=C(SCC(=O)Nc2ccccc2)S1	8781299	KXHKOFWBJZPFAY-DEOSSOPVSA-N	504.612	6.004	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1F	9323034	AGUKGLRTVYWUPL-CIAFOILYSA-N	503.961	5.814	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)N/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1	9850842	NZXPLQLHUAHAES-NIRJMVPRSA-N	522.734	6.955	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccco1	12250080	HNNONQNZVCBCMN-JOCHJYFZSA-N	519.652	5.314	50	40	KKGB	
CC(/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)=C\c1ccccc1	13659807	KFORXRHLBYSSTJ-XFJOGQQNSA-N	514.676	5.624	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@H]1c1ccco1	20136802	RWQIAXRZSSAJFZ-VWLOTQADSA-N	513.619	5.665	50	40	KKGB	
CCCC[C@@H](CC)CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1	97946311	SCLJTPCEDWJYJX-OBSKASRASA-N	567.133	8.011	50	40	KKGB	
CCCCCCCCCC(=O)Oc1ccccc1N1C(=O)[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C1=O	98050464	MDPZZBPTEDDDCX-CADBVGFASA-N	557.323	6.159	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	100956037	HAOMKSUSSHTLIU-YWFOEXFCSA-N	591.023	5.144	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(NC(=O)c2ccc(Br)o2)cc1	101088229	BCRIZQCRASOTAL-LJUMEUDFSA-N	562.420	6.109	50	40	KKGB	
C/C(=N\NC(=O)c1nn(Cc2ccc(Br)cc2)cc1Br)c1ccc2ccccc2c1	101664248	GDNFFGDEPZLJCL-CVKSISIWSA-N	526.232	5.764	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc(Br)cc1	102933048	KVXWQMPJSHZAQV-LICLKQGHSA-N	610.224	7.364	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1ccc(Cl)cc1Cl	105227087	XXLLUFFZVPAUHY-CXUHLZMHSA-N	532.767	6.688	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)c(C(=O)OCC)c1C	110062860	GXQNDKOYBGZLDT-KGENOOAVSA-N	575.086	6.785	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341820	KWFAOESCELQPAC-IBGZPJMESA-N	762.464	12.816	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12	150420303	SFXAPZWCKBVPNY-JCFBBEFLSA-N	636.020	5.052	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CC[C@H](I)CC(F)(F)C(F)(F)F	169795269	IAHCIAMYHXGSCW-WDSKDSINSA-N	573.978	6.549	50	40	KKGB	
CCN(CCO[Si](C)(C)C(C)(C)C)C[C@H](COc1ccc2c(c1)cc(B(O)O)n2C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C	201301499	VMQUCOSTWPLQGA-AREMUKBSSA-N	650.815	6.217	50	40	KKGB	
CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C(=O)NC(=O)C[C@@H]3[C@@H](O)c3ccccc3)C[C@H]2O[Si](C(C)C)(C(C)C)O1	263601430	LCVKRPARHSQQEA-IUJPGNIVSA-N	578.855	5.102	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408527079	DWSSOTNSMOUDLW-MZJWZYIUSA-N	609.258	5.561	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408529781	JZAYYIQIBHOKQC-MPRHAZATSA-N	560.787	6.815	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1	408534696	WLSLGTUACQEETD-IPPBACCNSA-N	575.301	6.060	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(OCc3ccccc3)c(OCC)c2)cc1	408539637	IZKAEBLFVAKQEV-ICUTVXMZSA-N	571.117	8.003	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1cccc2ccccc12	408540658	AUHCXGBLYLZUKD-OYKKKHCWSA-N	575.402	7.184	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1OCc1ccc(I)cc1	408543748	STIYHKBSCLERSU-IWIPYMOSSA-N	565.407	6.760	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)c1ccc(Cl)cc1	408581791	ZJBCJDDDHLKVJB-RQZCQDPDSA-N	538.066	8.162	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)Sc1nc2ccccc2[nH]1	408599626	XUALSFTYULIUCL-RQZCQDPDSA-N	669.713	7.661	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408642756	NTZUBHQLIHJXPC-HJUANSTKSA-N	665.593	6.197	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408743571	BEKKAXKSGWKTCQ-SXGWCWSVSA-N	628.091	7.485	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408758243	HWGJCDBWKUNRKE-IPPBACCNSA-N	512.444	6.170	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1	408790542	WVRZZNVZKIQVOM-HZHRSRAPSA-N	514.534	5.085	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c1	408792036	GVAIXLXVOCKQPP-BUVRLJJBSA-N	511.419	7.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1cccc(F)c1	408796191	OKUAYVMPZITDIU-VXLYETTFSA-N	543.820	7.073	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408796240	AABYHWXPMPUMFG-FYJGNVAPSA-N	517.412	7.588	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2c(C)ccc3ccccc23)cc1	408803751	TUGGOYDIVIRTSJ-LFVJCYFKSA-N	569.455	7.212	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1C#N	408810321	JLMWQJHRDZNRHO-BYWZACNXSA-N	516.395	5.693	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1	408810494	KTXIBAKGBNLKMB-UWVJOHFNSA-N	647.263	5.593	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408817063	KOPUIFITBCTZTO-JMIUGGIZSA-N	637.301	6.808	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OC	408823812	GISWCKUAFPVDNK-FYJGNVAPSA-N	521.411	6.290	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cc(Cl)cc(Cl)c1	408824909	BUYXEATYWAHQMB-OKCVXOCRSA-N	556.471	5.642	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc(Br)c1OC	408839919	DGMBVSGFRCOBAJ-IKHKQLAESA-N	554.466	5.004	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1cccc2ccccc12	408845072	QIDHSCIAQTVKGL-MHDJOFBISA-N	547.606	7.159	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Br)cc1	408848445	VACWHUKQSHEYKE-WKIKZPBSSA-N	558.226	6.309	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1	408853503	OVFUKETUXRNYDP-PDGQHHTCSA-N	501.797	7.170	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1	408860385	UPPDPJHVJULJLA-AYTBHPOOSA-N	612.752	5.412	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408860866	GWGSDEBOWIXCBE-ATZGPIRCSA-N	613.567	6.372	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408862127	FOWUMLVJLIQUQN-STBIYBPSSA-N	544.073	5.100	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408871839	XZWXPUVGCQWRLB-XZCXJWDVSA-N	603.127	7.814	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1c(Cl)cccc1Cl	408887494	RAVKXCMCTVYPBT-MHWRWJLKSA-N	579.221	6.731	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c(Br)c1	408890803	ZMDYGEFTSKCWQO-RQZCQDPDSA-N	778.020	7.854	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408896611	SKDPFCHDZFNCSA-AWNIVKPZSA-N	676.126	6.740	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OCc1ccc(Cl)cc1Cl	408924297	MQFLQZYPLZWRKE-LICLKQGHSA-N	528.348	6.043	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2Br)c1	408925906	UUKPYRWVADOJII-LUOAPIJWSA-N	571.096	7.170	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(OC)c1	408950305	GUWYWDPFUYWUDJ-PMJAWKLHSA-N	799.300	6.826	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c(OC)c1	408958446	YXAJWFFQMCGYBO-HVJLQFNCSA-N	748.400	5.658	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)c(OC)c1	408958611	ZLXRPEKKFXYGOT-MMGYZVBGSA-N	695.567	5.074	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc12	408963516	FHDYYKILXXPXDQ-UCQKPKSFSA-N	529.390	7.552	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)Nc1ccccc1	408964269	CPDAUBZXDTYCJB-AMVVHIIESA-N	564.358	5.648	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1cc2cc([N+](=O)[O-])ccc2o1	408964328	GDXURQVDFPWZMJ-WKULSOCRSA-N	544.361	6.600	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1ccc(Cl)s1	408964619	DUQPLBODSDNYFG-YXSASFKJSA-N	503.603	5.004	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408972297	QVDYREVJHIVUHJ-DVAMMYLFSA-N	600.941	6.050	50	40	KKGB	
CC(C)COc1ccc(Cl)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408972478	UJLBVSSTLKJTOL-KIGYESRZSA-N	556.918	6.130	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2I)c1	408981440	BHIXDAQICSQGDI-OCKHKDLRSA-N	668.700	7.291	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409007004	MCPMXEYDHFLQQD-CPDSRJINSA-N	617.338	6.317	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409009072	UNZAAXWFELXVHB-HBHSWBPBSA-N	737.219	8.857	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	409016154	SNUNNKUGVUGQRL-IURWMYGYSA-N	700.287	7.067	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409029045	UPGXWESLXCSTDN-QXUDOOCXSA-N	638.142	5.681	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4c(OCc5cccc(Cl)c5)ccc5ccccc45)cc3)cs2)cc1	409030564	DXBRBJPNRHFEDX-HASSKWOGSA-N	603.147	9.012	50	40	KKGB	
O=C(O)COc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409034227	PZTPGHGJVZRTPT-QDTIIGTASA-N	677.236	5.338	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409056735	HYPPOBCKWRWNDP-CCVNUDIWSA-N	553.899	5.054	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1	409169528	QLOABEFNHVHKNS-VVEOGCPPSA-N	646.336	5.252	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1I	409177443	FAZNKFYBQCTNTB-DHRITJCHSA-N	598.222	5.529	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc(Cl)cc1Cl	409189306	PDKZMOSFYBOHQN-PXNMLYILSA-N	571.242	6.151	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccc(Br)cc1	409219849	QVUOKXIBAXAXEF-UHFFFAOYSA-N	586.442	6.002	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409223075	GHTKSUWPVPFWAU-OMYBKLMOSA-N	636.919	7.681	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1I	409228423	YTLYDVMZUNAECX-MLPAPPSSSA-N	670.163	5.402	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409243456	WNLZAUVINLMOMT-IWIPYMOSSA-N	610.448	5.623	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)ccc1OC	409309900	NUKFHAGUUUNLDI-QDTIIGTASA-N	596.703	6.615	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1OCC	409315256	USNKYROIASLPGM-FDVSRXAVSA-N	619.310	5.790	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)ccc1OCc1ccccc1	409332623	LDSVORNEBTWCHQ-DLCNMLRHSA-N	682.365	7.230	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1	409360161	LYAPEQGJEKENLY-VYYCAZPPSA-N	546.259	5.800	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1ccccc1F	409372136	SGKXDWXDPGZAQD-XKZIYDEJSA-N	505.330	7.227	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(O)cc1	409380530	GDCAKADFSVSKMJ-NDENLUEZSA-N	533.809	7.086	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409396516	YTVXUOOBWGUUSJ-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)cc1OCC	409398521	UFRWUOBSGXVKGV-UHFFFAOYSA-N	597.671	7.769	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl	409398951	WYINMYYFRXSDGU-UHFFFAOYSA-N	626.418	8.152	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OC(C)C	409402623	KHQKSZLBBKIVAP-CNCDYAKUSA-N	614.924	7.242	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccccc1C#N	409405287	SPBVPJISINTVGV-FRKGHFGRSA-N	687.978	7.905	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccccn4)c3C)o2)cc1	409408175	JBLPFGFUDYYNEK-CAQPMQTCSA-N	507.594	5.833	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc(C)c2)c(OCC)c1	1529548275	BXABTMIHJLPMHI-OGEPBOSOSA-N	742.636	5.462	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	934973	MWCRQUKKABOSIE-RAMZYJDASA-N	502.039	5.434	50	40	KKGB	
Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(Cl)cc3)C2=O)c1	1790740	LXTAHDYNFKSBBH-YMGIJWJESA-N	552.881	6.476	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Br)cc1	2165697	QUSDNVXBZQNDTJ-MZJWZYIUSA-N	530.806	5.169	50	40	KKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1	2553621	VGDIBDHYRZWWAD-GZTJUZNOSA-N	503.933	6.517	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667562	OKQUGPMSVDSCAI-DEOSSOPVSA-N	560.676	6.043	50	40	KKGB	
CCN(CC)c1ccc2c3c(c(=O)oc2c1)[C@H](c1cc2cc(C)cc(C)c2nc1Cl)C(C#N)=C(N)O3	6078539	KXCIVAXBZXZBJQ-JOCHJYFZSA-N	500.986	5.676	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)c1	8426160	QPWNCYHOIVAURW-YMNDLRCVSA-N	516.406	7.195	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@@H]1c1cccs1	8443107	LYVDQNGMSMECII-JOCHJYFZSA-N	506.653	5.091	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H](C3=O)[C@@H]3C[C@H]4[C@@H](Br)[C@H]3Br)cc2)cc1	8451505	JLYYHAXYIRGYLC-DOYJOHMCSA-N	609.358	7.087	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	9260572	LKURBTSEYUVBPB-QNSQCGTLSA-N	522.045	5.613	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1F	12250858	PIXFJKWSSZFLPR-AREMUKBSSA-N	520.029	6.756	50	40	KKGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccc(Cl)cc2Cl)nnc1-c1ccc(C(C)(C)C)cc1	12464140	KAOODFHUXIWJDJ-JFLMPSFJSA-N	504.487	6.202	50	40	KKGB	
CCCCCCOc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1	12561851	OOWMMGNAIBGLQR-ZTKZIYFRSA-N	507.656	5.827	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc(C)cc1	20195282	IDZXOWFILZIBLQ-MUFRIFMGSA-N	509.444	6.045	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1)NCCc1ccccc1	28214751	PKSKWZLRZXNPBX-QNKGDIEWSA-N	523.658	5.481	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1	28216902	NMTNNPWDFWIIRX-STBIYBPSSA-N	518.480	6.913	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)c1	59104390	PPVUBMWEGWLMGQ-WYMPLXKRSA-N	505.210	5.392	50	40	KKGB	
Cc1ccc(C(=O)Nc2nnc(SSc3nnc(NC(=O)c4ccc(C)cc4)s3)s2)cc1	59387005	BYDQTGYDLQYNCD-UHFFFAOYSA-N	500.656	5.310	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	59473233	GUVXORDHFKNMOS-PYWPZVNCSA-N	503.451	6.602	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59856286	FYVZNGTTXLFBEA-UZWMFBFFSA-N	562.091	6.207	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	97950971	KKDKPQKTYHARSF-SANMLTNESA-N	549.483	6.700	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126044	FOBDHOQERQBKLO-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)cc1	100126657	OOKGQSPXRYXTJA-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OCc1ccccc1	100228722	VNRXJXGGRYPBLJ-XDHOZWIPSA-N	522.355	5.881	50	40	KKGB	
O=C(O)[C@@H]1[C@@H]2C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]2c2cc(Cl)cc3c2N1C[C@@H]1CC=C[C@H]31	101076656	WJEJCBPKPWKMSC-TTZNEXCHSA-N	517.434	6.067	50	40	KKGB	biogenic,in-vitro
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103902048	JWTXKQFBXUIBJB-ORBVJSQLSA-N	577.089	7.414	50	40	KKGB	
C/C(NNC(=O)C(c1ccccc1)c1ccccc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	112233404	XSKXFTSHEFTUIM-MEFGMAGPSA-N	531.572	5.073	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918304	JWEOPRVXJUYGSP-QUYUYDMXSA-N	549.678	9.359	50	40	KKGB	
ClCCN(CCCl)c1ccc(CN2CCCN(Cc3ccc(N(CCCl)CCCl)cc3Cl)C2c2ccncc2)c(Cl)c1	150373388	LBXQBCKMAFBAAF-UHFFFAOYSA-N	692.390	8.363	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(F)cc1	150662828	JBSYWZQEVPFFFR-MFOYZWKCSA-N	668.200	5.858	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCC[C@H](I)CC(F)(F)F	169795380	WMSZRDCVZZZJBO-STQMWFEESA-N	572.153	8.009	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(C#N)c1C	408547437	WWEFQDZWQNCQSL-VXLYETTFSA-N	539.440	6.709	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1cccc(C(=O)O)c1	408550741	JJYSJIOIDUGNPK-MXAYSNPKSA-N	575.402	7.184	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Br)cc1	408566129	DKDAPGITIANZTL-STBIYBPSSA-N	509.444	6.027	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408581036	SWGWFQKGKOXKIL-VXLYETTFSA-N	607.275	7.387	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1	408599417	UNONSFQLANKVCE-STBIYBPSSA-N	509.444	6.488	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408610995	VHZZYKLNFZOPLK-SFHVURJKSA-N	514.409	5.467	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OCc1c(F)cccc1Cl	408612125	XOMHYIFESMGOJO-HNNXBMFYSA-N	518.372	5.216	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)cc2)c1	408672805	XBXPCTNWLFCGMM-UHFFFAOYSA-N	566.054	5.677	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1	408728689	RKYPORHIQDRQFS-RUMWWMSVSA-N	566.510	6.851	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)c1	408745695	OHMIPYFXVAYUER-ZDLGFXPLSA-N	637.699	7.230	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc(Br)c1	408760092	RKTKTJPYNQFCJS-WQRHYEAKSA-N	512.201	6.336	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408762311	JYZUQNWWFIUJHG-CCVNUDIWSA-N	534.370	5.716	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)cc1	408783563	ORUUGVMCMYIGMM-QNKGDIEWSA-N	535.669	6.462	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(I)cc1	408790853	RNUQBAJIGGXRMK-UDWIEESQSA-N	572.830	6.776	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)c1	408794784	KAGOXTSEQYTJSK-GIJQJNRQSA-N	560.673	7.298	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794934	KPMCRSWVJCCXAB-XIEYBQDHSA-N	539.429	7.153	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408795039	UMOQKTXMTUQDTN-BUVRLJJBSA-N	648.351	7.924	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408801036	SHGHYARRIRNTBV-BUVRLJJBSA-N	511.021	7.497	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1F	408809584	HCYICOJFSQOIKR-UCQKPKSFSA-N	535.413	6.128	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408822679	CPXXFEAHWMHZDN-LPYMAVHISA-N	653.316	8.368	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408830317	MCIWFKIWHZYORK-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	408840755	FKSVZHOOSSUHJP-IRWBXMRWSA-N	629.491	8.637	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4cccc5ccccc45)cc3)cs2)cc1	408847549	STMICCIGFUZSEN-QLQYKETESA-N	568.702	8.358	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1cc2cc(Br)ccc2o1	408851908	HEQOYWMLHXEXAC-FXMZOFOKSA-N	597.090	7.608	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1	408852703	HQUQJNQLVBLTOR-QNGOZBTKSA-N	566.466	6.523	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1Cl	408853141	LYVKVPMSEVRDFR-PPDIBHTLSA-N	528.790	5.807	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Br)cc1	408857729	PPCUWYNLNYFWEC-LGJNPRDNSA-N	577.229	5.861	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1cc2cc(Br)ccc2o1	408858311	RSEIDFBGXALUQZ-FXMZOFOKSA-N	597.090	7.608	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2cccc(Cl)c2C)cc1	408860144	WFZULEILSSVLJD-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cccc(C)c2)cc1	408864117	SZWPNMSWHUVIIP-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)cc2)c(OC)c1	408867791	NROBPWBFABVRAB-WSDLNYQXSA-N	521.411	5.577	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1Cc1cccc(F)c1	408877268	URGPTFAXPOURON-GIJQJNRQSA-N	547.346	7.142	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(C)c2)c(OC)c1	408877707	TXOMQJXHTNECIY-WSDLNYQXSA-N	521.411	5.577	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1	408884254	WLGVGVGPSFDHCR-FJEPWZHXSA-N	553.840	6.616	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)c2)cc1	408886710	LLEZVFYILUJXSB-LDADJPATSA-N	590.293	6.142	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OCc1cccc2ccccc12	408887065	NPRMBAVUOVOOPB-HYARGMPZSA-N	606.314	7.807	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	408888286	YPLGEIPJRKPIEM-XDHOZWIPSA-N	518.482	5.035	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(F)cc1	408890646	XCFXJVGBOQFFRV-LZYBPNLTSA-N	516.312	6.174	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccc(F)cc1	408890748	YPKJQZUZLBRCCG-JEPNHJGPSA-N	548.699	7.187	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1C(=O)O	408891588	SWSONEFXJYAOPF-CXUHLZMHSA-N	590.655	6.688	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2I)cc1	408892272	AHPZKLXAZMIANU-CAOOACKPSA-N	689.118	7.636	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCc1ccccc1Cl	408894609	JUWCXCNVPGJNBG-YBFXNURJSA-N	515.824	7.479	50	40	KKGB	
Cc1c(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1	408896715	ZGEDJJXDNRKPNB-VWJSQJICSA-N	610.445	5.852	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905091	SWJXFJVSEPVWIR-BCHBDCPOSA-N	610.191	6.595	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408923524	JGKFRFXQYVMPJP-LICLKQGHSA-N	604.866	5.383	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(C(=O)O)c3)c(Br)c2)cc1	408933520	BCXGKSDSVYVQLB-OJYCWLPVSA-N	608.492	7.256	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c([N+](=O)[O-])c2)c(OC)c1	408957763	VSRBKRVYMGYWSL-NPBPKHCLSA-N	746.571	5.818	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br)Nc1ccccc1	408967992	TXTLQTZNIUHJFA-XODNFHPESA-N	520.305	5.249	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408968574	XMKUUQUUTFUFJN-KPGMTVGESA-N	545.412	6.210	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Br)c1OCc1ccccc1	408976664	BOHZSMFOXSBPDL-RBVAJZFBSA-N	636.568	5.905	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408995647	MRMHHXTWIBKECB-MDVINBTASA-N	865.054	6.775	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1	408996723	AEUYANVUFKVHDM-CCWCOGDNSA-N	537.447	6.324	50	40	KKGB	
O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C\c1cc(Br)c(Sc2ccccc2)o1	408997721	OFFJRFMHTJWAIU-GATIEOLUSA-N	528.306	5.813	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	409025837	YCFIZMKJNIUFHT-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCc1cccc2ccccc12	409064803	GJMSBCBQFQHRGX-ZXVVBBHZSA-N	518.613	7.100	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OS(=O)(=O)c1ccccc1	409070698	GKTITSMJCXGHDQ-SFQUDFHCSA-N	608.841	5.657	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2ccc3c(c2)COC3)cc(OC)c1OC	409137489	XSNLUWSULNNPND-UHFFFAOYSA-N	634.277	5.251	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1C	409158935	YNSZQRMQZNYLJT-ROPCREHHSA-N	676.939	5.169	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	409163653	VOKDJAORKQIJJH-AMVVHIIESA-N	553.273	7.138	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2I)cc1	409209360	GFUHXOZJRNJTAK-KKMKTNMSSA-N	676.745	6.679	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(I)cc1	409210875	HIWMQJJFLKKXSC-MOSHPQCFSA-N	526.330	6.241	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409215553	BBFWHHZKXKHBFC-XKJRVUDJSA-N	649.765	7.472	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	409217397	CJHSSIXHXFJJAY-AMVVHIIESA-N	529.876	7.621	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409219917	RRAUWQFSWARQHN-VCHYOVAHSA-N	520.929	5.128	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	409222330	BVZNIBBMQROTGA-LQNQUEJISA-N	567.514	5.047	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409223999	JTXAYZLKOPIFIF-CNCDYAKUSA-N	576.392	5.958	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409225751	KTMJTQMKJFLRMX-VFLNYLIXSA-N	545.492	5.959	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccc(C)cc1	409226682	QYKIDZSZTGPLOP-UHFFFAOYSA-N	586.442	6.002	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409251979	ROUWXOFIBIAXPW-SZJFIWSWSA-N	544.482	7.764	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1C	409257446	OUDAMVSZURFVDG-ODLFYWEKSA-N	538.829	6.283	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	409263714	MGMMJSCHYJXWQU-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)ccc1OC	409309428	HBNFAIKQMUEZNL-QDTIIGTASA-N	507.801	6.397	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409372383	DKHFGXTURJCFGE-XSFVSMFZSA-N	510.554	5.399	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OCc1cccc2ccccc12	409377668	KDRWAFOHRGYRDA-YDZHTSKRSA-N	577.422	6.483	50	40	KKGB	
O=C(NNC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409378357	OQPCLOJULUUTKD-CLJLJLNGSA-N	698.899	5.196	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409379295	VUANKCLNLAIBAR-PDGQHHTCSA-N	540.403	5.964	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Cl)c1OCc1ccc(Cl)cc1	409383702	ANKFZDRYOLFUSY-YBFXNURJSA-N	513.471	8.238	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCc1ccccc1Cl	409388082	TZZARDIQTCSYFP-GIJQJNRQSA-N	500.780	5.751	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cccc(F)c1	409394158	WPPICMBZILQMOZ-IUXPMGMMSA-N	524.160	7.380	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409395637	QCLTZLIGMSGCEB-UHFFFAOYSA-N	630.882	7.271	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(OC)cc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396160	DCVRPGZMDNYLTL-UHFFFAOYSA-N	656.135	7.676	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397661	MLGBNFNFRPNGBS-UHFFFAOYSA-N	597.599	5.992	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)cc1OCC	409397805	OGKMYNSWALFOHA-UHFFFAOYSA-N	650.946	8.576	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Cl)cc1	409405728	UZBCEBSUIUNXJP-UHFFFAOYSA-N	584.072	7.271	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4ccccc4)ccc4ccccc34)o2)cc1	409407071	YSBFNUOINVQVER-GKVNEZTPSA-N	569.661	7.762	50	40	KKGB	
CCNC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2	504419254	RZRQJICXYQPEQJ-UXVYCBBBSA-N	518.742	6.342	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	1529548558	JAVKGNRNLZDGLG-JYALLGCPSA-N	672.001	5.567	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1	1529548616	KAJGZWLQRXTIAW-KZMIEDSXSA-N	726.606	5.220	50	40	KKGB	
C=C(C)[C@H](CC[C@](C)(O[C@@H]1O[C@@H](COC(C)=O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)OO	1534690829	JZASRXZWIPRQHB-PPNLPWLZSA-N	680.876	5.263	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1786724	XGONPDWJPQJZDW-ROTWHSIKSA-N	509.679	6.448	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1	2240539	RKERKRZNNNCYCL-FISATAHSSA-N	514.676	5.542	50	40	KKGB	
CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(COC(C)=O)c3)c3ccccc3n2)cc1	2761590	MCRUDGBJFGROHT-FDAWAROLSA-N	511.578	5.526	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)C3=C2CCCC3=O)sc2c1CCCCC2	3666728	MCXPXHCACAGKDD-QHCPKHFHSA-N	532.622	5.407	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1	4196330	WIUOUTUDAGZMOV-OKCVXOCRSA-N	537.841	6.536	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)n2C2CCCCC2)cc1	9122259	YCGABPYAYFGVSK-WKULSOCRSA-N	501.578	6.020	50	40	KKGB	
C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)COc1ccc(C)cc1Br	16284648	HMOWYZIEOHTVIP-RDRPBHBLSA-N	509.404	5.401	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Br)cc1	59367788	KWYCRVRALJZORN-MFKUBSTISA-N	502.206	5.945	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2)cc1	59856474	CMOVDQSZTJIFOS-NDZAJKAJSA-N	534.037	5.508	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1	100063639	GWTPRNLBROLPTI-CVKSISIWSA-N	535.409	5.022	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	100090673	YNBFZIDAXCUXSZ-XMMPIXPASA-N	544.504	6.711	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)cc1	100239734	RNOKFCLFMKPTAJ-ZCTHSVRISA-N	609.546	5.601	50	40	KKGB	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4s3)c2)C[C@H](C)O1	100900620	GRCHLKQVNWMTCX-LMIOKVNWSA-N	581.723	6.011	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100972859	NWSVFFLMWQKFEX-HPNXWYHWSA-N	605.764	7.062	50	40	KKGB	
O=c1[nH]c(SC[C@@H](Sc2ccc([N+](=O)[O-])cc2)[C@@H](Cl)c2ccccc2)nc2sc3c(c12)CCC3	101026550	HPNXSZPBSAWZNK-CTNGQTDRSA-N	530.096	6.615	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1O	101625101	BIQSOGNVDSTKES-GATIEOLUSA-N	538.623	5.914	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1nn(Cc2ccc(Br)cc2)cc1Br	101664953	BUTMERPFZQEDCE-LIMNOBDPSA-N	531.035	5.527	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)cc1	101717869	NFYGZYCCZSTADY-QNGOZBTKSA-N	553.531	6.257	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3Cl)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	102753502	YFMOBCFWGWLAFO-HHHXNRCGSA-N	595.508	6.414	50	40	KKGB	
COc1cccc(N2C(c3ccc(C)cc3)=C(c3ccc(C)cc3)S/C2=C(/C#N)c2nc3ccccc3s2)c1	102924516	OVQPOXNIXASWID-KGGMANCPSA-N	543.717	8.893	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	103884073	MZTFSRPWDMFBNV-KQWNVCNZSA-N	591.462	5.591	50	40	KKGB	
CCCCCCCCCCCCCC[C@H](Cl)C/[N+]([O-])=[N+](\[O-])C[C@H](Cl)CCCCCCCCCCCCCC	104205774	PKZPFYJBHXBGGP-CSMQTNQOSA-N	579.782	11.856	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342332	VNNZYQFRNMPRGW-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	150366585	UBFQSUQSNPWBKX-RIXJTDKTSA-N	664.325	6.904	50	40	KKGB	
O=C(Nc1cccc2c(O)c(/N=N\c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc(/N=N\c3ccc(S(=O)(=O)Nc4nccs4)cc3)c12)C(Cl)Cl	150391125	AKLRZBQCBHTKED-PKJKGCPLSA-N	802.729	8.633	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	164587994	RRTMVSGGCVQYCF-LGJNPRDNSA-N	671.229	5.546	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408544429	TUNNICVTTCCOTR-NVMNQCDNSA-N	556.210	6.034	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1	408551942	PGEDOYDBPZPKDS-XKZIYDEJSA-N	509.230	8.552	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408555090	VLCVBPAYHMMLSR-YBFXNURJSA-N	607.486	6.693	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Br)cc1	408643419	FWHXHQAKORBHPQ-IUOSPEFCSA-N	708.028	5.774	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408680333	GDGYSOSTLLAJKP-FZKCQIBNSA-N	623.556	6.126	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccc(Cl)cc1	408719980	UPMCIGAOIIEHNQ-GNUBZPRISA-N	531.999	5.307	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1	408725129	JJSNNEZGCVEDRX-MOSHPQCFSA-N	507.384	5.981	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)OCCO1	408729408	ZMRLOUJZAPQZBD-MZJWZYIUSA-N	656.258	5.231	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(I)cc1	408741428	IUTJKNGIOIUTKL-WQRHYEAKSA-N	589.227	6.187	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408746581	FKGDHFOPJXPUKZ-LJUMEUDFSA-N	686.300	5.927	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747852	UTFCJMDVQVEELP-APSNUPSMSA-N	682.106	6.670	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)ccc1I	408748125	YUDXUHXPNJSMIC-WYMPLXKRSA-N	552.210	5.234	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cccc(Br)c1	408755728	OYGASBWLMQMQTD-IPPBACCNSA-N	617.135	7.470	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408779224	CBLIBNINQXFQLN-DICXZTSXSA-N	511.507	8.389	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408787647	DAXIWAITEAMTPW-WSDLNYQXSA-N	517.810	7.380	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1cccc(C)c1	408789663	QSZWHVDBLKNPRQ-WGOQTCKBSA-N	539.031	7.361	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1F	408792315	AJOVGYMXFFRPLN-YBFXNURJSA-N	542.348	5.872	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)c1C	408795959	NTNOQXPLEGWNAB-VXLYETTFSA-N	577.249	7.340	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408797817	SSXJWFVAWWBAAZ-VIZOYTHASA-N	615.536	8.296	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1	408806458	JHCSEMIGAYNMPM-WSDLNYQXSA-N	549.421	5.986	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	408821493	IEJDHRFLQTWCHP-WSDLNYQXSA-N	764.241	9.073	50	40	KKGB	
C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408825205	ARFTUQNLQHAPNN-DEDYPNTBSA-N	509.389	6.691	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408831361	QCRLSUUYBQLXIR-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408834150	TWVGCWPQASSLAF-WGOQTCKBSA-N	571.048	7.890	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408835537	NQAQSNCFIJUKHB-OEAKJJBVSA-N	563.868	8.350	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408839423	RYNDFFBXIOCCNQ-KBVAKVRCSA-N	532.383	6.229	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c2cccc(C(F)(F)F)c2)cc1	408862014	HIANWHZXZZRXNB-FJEPWZHXSA-N	597.457	5.188	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408862869	IXIYXTHOSQEYPE-JRZNSJKLSA-N	697.213	6.834	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)cc1OC	408877435	VCKISZZXCRTPJC-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408894132	JHVLEUXPXLJEPJ-XNTDXEJSSA-N	684.262	5.284	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408909992	VNUVMQINIXAYFA-WKIKZPBSSA-N	583.351	5.753	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OCc1ccc(F)cc1	408921800	CBYWOUNCIDAILF-KKMKTNMSSA-N	607.470	5.870	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OCc1ccc(F)cc1	408926727	XTISCMYTWFSTSC-LZYBPNLTSA-N	516.312	6.174	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccccc2Cl)c(OC)c1	408947216	AWKUHYSLGYRRDK-VVYBVRPNSA-N	720.404	6.064	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)c(OC)c1	408947616	BDTROJRGKHQZTF-PGELQFCNSA-N	767.404	5.906	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C)cc2)c(OC)c1	408949419	QWWCQAVYDGXTLP-GDLZYMKVSA-N	728.609	5.072	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408954232	YUNABGRWHUBUSD-MHZLTWQESA-N	879.342	6.667	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408964791	SFEMZHNZMNZJIT-KKMKTNMSSA-N	522.277	5.719	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	408970029	YVQOTNKRKJAASS-ZDGIVANHSA-N	606.550	7.174	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCCOc2cccc(OC)c2)cc1	408974077	WVGIEMFUDQBULB-XMHGGMMESA-N	523.383	5.470	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408974576	ZTMVUTDNBCPWIJ-RSWNLNBFSA-N	570.473	5.212	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc2c(c1)OCO2	408976593	RTMHROSNQUXZNP-OXUBWTJQSA-N	601.078	6.590	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1)Nc1ccccc1	409019095	YAPWNLDHHWBAAI-UVHMKAGCSA-N	618.225	5.581	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	409023446	XRPHFROOZUVCJE-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)C(=O)Nc1cccc(Cl)c1	409044689	HLUHKTPTPKPJQG-LZYBPNLTSA-N	564.636	7.129	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409067690	PJCQGLXHJZWWAW-LFIBNONCSA-N	551.835	6.359	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409074844	SMFPEULMJBONRE-XNTDXEJSSA-N	537.808	5.969	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(I)cc1	409139917	CDFYLPXXUCGUBT-OVVQPSECSA-N	595.890	5.297	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)COc3ccc4c(c3)CCCC4)C(C)C)o2)c(Br)c1	409162945	JTYIJYIMJSFRSW-GMCBZYNOSA-N	566.496	5.566	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl	409165076	SBLHYAUYCNEFJH-VPUKRXIYSA-N	612.695	5.824	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1	409167247	IAICLCOHDLEGEA-KBVAKVRCSA-N	595.494	5.351	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccccc2)c1	409218780	GYXFNBWTSZCMHR-UHFFFAOYSA-N	542.389	5.685	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c2)ccc1OC(C)=O	409219706	PEXTXDLZGHEJNS-UHFFFAOYSA-N	709.347	6.381	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccc(Cl)cc3Cl)cccc2[N+](=O)[O-])cc1	409219898	RKLBIRYFYDQEDA-OJUZVRABSA-N	514.321	5.293	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3cccc(OC)c3)c3ccccc32)cc1	409223835	IUHXTKCFHRYGMN-RZHIIDJMSA-N	585.660	5.451	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC	409226537	UOYAQQSTBAESLB-AUDJLBKZSA-N	659.051	5.909	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc(Cl)cc3)c2)c1	409226956	YBIWDYJBCKGZGW-AAZFPYNQSA-N	695.795	7.808	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409230475	DSGPAXKCSCECSN-PXNMLYILSA-N	617.192	7.741	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	409240983	VYZUYKQSEPIOAV-WCEBZYJUSA-N	570.281	6.584	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409242018	PQUHYMHCZLKXRF-BYINCCNUSA-N	583.382	5.571	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br)Nc1ccccc1	409255660	IEXINGVLMLVDLE-ZRGSRPPYSA-N	610.100	5.756	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409257552	SUCSVULNMWJLBC-NUJZUDFISA-N	558.860	5.899	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)c1	409261875	DTDNSUVLJLVTJF-RGVLZGJSSA-N	508.405	6.482	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409262145	CVXXYBZNPHGJLI-MUXKCCDJSA-N	591.833	5.433	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1C	409269028	DBSYCIHJGIVGNQ-STZFKDTASA-N	503.986	5.919	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)ccc1OC	409336391	RZBQVKJDOAVDPU-FTCYSYDXSA-N	572.323	6.884	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409344699	JRZOCEBKHXUEDI-SSNCBAMGSA-N	552.252	5.917	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409358912	MAMAYXZCABBXRH-VYVUJPJFSA-N	759.007	7.106	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1cccc(F)c1	409373034	PTWYZIMZPPIRDW-VYYCAZPPSA-N	577.350	5.009	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc(I)cc1	409373611	XPKZHPJAONVFFE-ZDLGFXPLSA-N	595.072	7.459	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)c(Br)c1	409374131	YSJQZWKJRQJYHN-MUFRIFMGSA-N	503.396	6.262	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384305	AQZXBWBHEMASFL-AMVVHIIESA-N	594.874	7.722	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409385437	KDMNDVIRMHQTCA-RPPGKUMJSA-N	585.392	5.832	50	40	KKGB	
N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	409385493	KXJYWKJZBUNNLT-OKCVXOCRSA-N	506.543	6.177	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)cc1	409386103	LAMKVHNJJBLUMA-BOPFTXTBSA-N	570.827	5.683	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(Br)cc1	409389823	CISPCMQDCBXTHO-GRSHGNNSSA-N	578.219	7.235	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OCc1cccc2ccccc12	409391538	JNODFAIZOULJCC-QXUDOOCXSA-N	503.602	6.533	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)c1	409395816	SAYLEWNANHNGPA-UHFFFAOYSA-N	631.324	7.651	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccco1	409396285	XMPQBPGKGGZSBF-UHFFFAOYSA-N	546.352	6.313	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397111	GIGITAROTFPYBP-UHFFFAOYSA-N	576.609	6.742	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	1529548234	ZJGLGHZDJMNGOH-MKEMXLLOSA-N	760.461	5.374	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)cc2)cc1	1784282	MVVCLNISENXZGG-WCMJOSRZSA-N	508.603	5.163	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1	1888878	MJCLMQTWDGGGEI-HVBJHMBASA-N	526.420	5.875	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc3ccccc13)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136362	JNMUAUICUSPDBY-RIUKICKJSA-N	562.047	7.703	50	40	KKGB	
CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(CC)cc4)CSC3=C2C#N)cc(Br)c1O	9693575	JVEMQLJNJYAYLV-GOSISDBHSA-N	514.445	5.335	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	12360118	SKZRSFNXRPLQSB-CCVNUDIWSA-N	500.898	5.127	50	40	KKGB	
O=C(O)COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	13425226	UBGXIKBNNGXOQF-UVHMKAGCSA-N	506.971	5.434	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1cccs1	20283242	KOBWRLMLUUFFJL-SANMLTNESA-N	515.660	6.016	50	40	KKGB	
COc1ccc(/C=N\NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)cc1	31849100	CZFDMOJTGRSWDA-APTWKGOFSA-N	522.004	6.760	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1cccc(C)c1	58993776	FBAARLSVIBRUGQ-NHDPSOOVSA-N	535.394	5.979	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	59222167	BVDZKJCHAMHFCD-UVHMKAGCSA-N	537.241	6.889	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	59646789	DEFAFAGEBDZZLE-KKMKTNMSSA-N	585.853	5.218	50	40	KKGB	
CCCCCCCCCCCCCCOc1ccccc1NC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2CN(C(=O)Cl)C(C)C)c2ccccc2c1O	95713238	FVLQUONHTSLQEF-UHFFFAOYSA-N	746.345	12.147	50	40	KKGB	
COc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1O	97939456	SQXZSCYBFYDAAC-WKIKZPBSSA-N	528.421	5.198	50	40	KKGB	
Cc1nn(CCC#N)c2c1[P@](=Nc1ccc(F)cc1)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2	97980961	KBEUFUYBTCBSDT-QEBMZUDTSA-N	548.606	7.083	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	100124521	KJYNGTUKCUBAKR-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
O=C(OC[C@@H]1O[C@@H](Br)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	150351635	WISFGQOOKBVKPD-VFFRCKCKSA-N	659.485	5.640	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Br)cc2OC)cc1	150476840	GYFJMYWHCQKKNK-CXUHLZMHSA-N	678.233	5.744	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	162447969	MUDXKDCNXSCFNX-KCSSXMTESA-N	639.572	5.528	50	40	KKGB	
C=CCOC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	169724496	MFAQUWFCFIPYES-ACHIHNKUSA-N	747.802	5.952	50	40	KKGB	
COC(=O)C1=C(C(=O)OC)P(I)(c2ccccc2)(c2ccccc2)N(C)C1(c1ccccc1)c1ccccc1	195752832	VXWXXPJKXRRWGF-UHFFFAOYSA-N	649.465	5.945	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)ccc1I	223546118	JLDSXAZGKQCYPH-IMVGLAPISA-N	519.427	5.564	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(OCc4ccccc4)c(OCC)c3)c(OCC)c2)cc1	408538964	SBPNDOAAAKZLML-ZTKZIYFRSA-N	592.692	7.586	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1cccc(C)c1	408570794	YQASAJSBIBVRQP-WKULSOCRSA-N	587.561	6.353	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1OC	408579236	FAFVUMZSJXLCCX-VXLYETTFSA-N	529.228	6.872	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1	408585900	JZJVKZPSOFTZFE-IUXPMGMMSA-N	570.641	7.903	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408601812	BTPWCBBSFWZKPR-HXUWFJFHSA-N	542.463	6.084	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1	408614305	APFRYTCDJDIFDN-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1cccs1	408640993	BXTOMMTWBFKILB-AYCMENBISA-N	635.161	5.073	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408641954	LMYKDDPXNDIIOA-XPGKHFPBSA-N	716.810	6.030	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Br)cc1	408725020	IFGMCPUWQFRCKY-NDENLUEZSA-N	570.281	7.043	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408725183	ICIPFVUNNCMWAR-WQRHYEAKSA-N	555.328	5.333	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)c2-c2ccccc2)cc1	408743823	VNWBQPXVUNKMGW-JBASAIQMSA-N	537.663	8.373	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc4c(c3)OCO4)cc2Br)cc1	408744814	NDZGWPBRBOYURK-ODLFYWEKSA-N	551.393	5.710	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCc1ccc(C)cc1	408746999	JBBLFTIFOLLVLU-JFLMPSFJSA-N	544.389	5.350	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)ccc1I	408747857	UUKONKRJCLKEDU-KKMKTNMSSA-N	752.128	6.160	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1I	408761564	GTCABARCCBYMGG-LGMDPLHJSA-N	557.775	5.508	50	40	KKGB	
O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1cccc(Br)c1	408764391	RNKCUQHJGYAGMR-FDAWAROLSA-N	523.386	6.739	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)ccc1I	408768524	GRQDLSCZAMXRAI-WYMPLXKRSA-N	536.211	5.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccccc1F	408788893	GFPOETLZGPRULR-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C#N	408789662	QSLQEDZMZRYTNI-RGVLZGJSSA-N	536.813	6.498	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(I)c2)c(C)c1	408791587	ZDCOFDYMSCPJRG-RGVLZGJSSA-N	526.349	6.172	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1cccc(Cl)c1	408797327	QVZFJVVRSXUUJG-LDADJPATSA-N	514.750	6.069	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408798225	VKEAUDXTJUEUPK-GIDUJCDVSA-N	601.111	8.196	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1ccccc1F	408806290	AIGRJAQZNHOEFR-BOPFTXTBSA-N	577.191	6.317	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC#N	408812087	BCAIIHHVTNVLKG-ROTLSHHCSA-N	517.177	5.353	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c1Cl	408812528	NHNOGBSCKWIPSE-QGOAFFKASA-N	520.372	7.206	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1Cl	408812790	BWTIJZMPFCTGQZ-KBKYJPHKSA-N	510.761	5.689	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1O	408813733	OUCCUFPRAKCRLE-RHANQZHGSA-N	518.411	6.083	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2)cc1Br	408815756	ULNKZYSGWVHJCX-VCHYOVAHSA-N	527.802	6.244	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1c(C)ccc2ccccc12	408817347	VPILEZZNTNSXOR-LPYMAVHISA-N	545.864	7.997	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408828498	MOFOPJSLIQMZEQ-OEAKJJBVSA-N	648.897	7.723	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1	408831534	QZGWBCQKBJBNHK-KQWNVCNZSA-N	579.600	6.544	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408833733	XVTCENIZVZOWHX-FADJLKOXSA-N	553.106	6.001	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)cc1	408838444	FKRJKHBXWGQLON-AABVJFSESA-N	661.965	8.011	50	40	KKGB	
CCOc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C	408845178	LJFBAUBOECGXFC-APTWKGOFSA-N	569.731	7.149	50	40	KKGB	
Cc1c(Br)c(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1ccc(Br)cc1	408846709	ROZWGAZWNNUIKH-MDFWVBBQSA-N	564.285	5.827	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408848135	PNMCPOGYCMQOJM-RGXNXFOYSA-N	512.009	6.281	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408852385	TWZAKWVFBBDDGF-FDAWAROLSA-N	593.319	7.306	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccc(C)cc1	408852494	GLKPIAONUVIJSN-VEILYXNESA-N	519.645	6.448	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	408879640	DIHJCGZHIFJAAQ-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1	408895372	MOLKHJXRZXGHTR-GIJQJNRQSA-N	512.349	6.343	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1	408896868	UJFFRQRTMHXUIF-RCCKNPSSSA-N	517.006	6.423	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1	408899976	RZUPEKBFPFPUQP-VCHYOVAHSA-N	542.375	6.434	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408904027	CNNJQZZKMPPFLM-ZRGSRPPYSA-N	573.197	6.209	50	40	KKGB	
COc1cc(/C=N/NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccc(Cl)cc1	408905345	XOXWFVRPDWBVTN-KKMKTNMSSA-N	628.692	6.759	50	40	KKGB	
Cc1c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl	408914823	ZDGRYLULIGLBCU-FMFFXOCNSA-N	508.021	6.038	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	408942605	GGXBJMTXVKJZMD-HKBQPEDESA-N	674.621	5.646	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1	408948612	PQEVPGXTRKDJMI-MUUNZHRXSA-N	835.462	5.231	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	408956258	QEWYDXXPGJQHGC-CLAOXVRQSA-N	705.979	5.963	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408967566	VUWXDPOMDNOOAC-ORBVJSQLSA-N	642.087	7.516	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408973353	YNVNLNKADQGPBQ-XVTPYAIASA-N	689.423	7.533	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc(OC)c1OC	408995443	CUIBNDYEMOJDJE-FABQOPTDSA-N	646.494	6.019	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408999300	QRICLWOIKSNKBR-PMOPRMPASA-N	679.409	7.201	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409004824	DYDIQTIONDXFBZ-NEUCNJIWSA-N	634.645	6.181	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1	409004837	FEJIMJXGHDBYFR-TZHGEAPXSA-N	623.665	6.849	50	40	KKGB	
Cc1c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	409038329	VJFDMZWEUALDGH-GXBUFBABSA-N	539.595	6.885	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2ccc(I)cc2)c1	409062944	DGJJYUHWCNOPNV-XQNSMLJCSA-N	565.455	6.571	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409067409	CXGPBOGDKUGLKN-XNTDXEJSSA-N	562.785	5.324	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409072825	LGTFHUBFJMGIGW-WSDLNYQXSA-N	535.394	5.348	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409141541	VIJWYVOOEQFMPK-DPNNOFEESA-N	656.986	6.588	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c1	409145258	PVFLQVAZEGSXIF-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	409182908	PJFDIYHTLVCHPH-BPVIWUOESA-N	630.531	7.042	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	409184242	JNAOYWBCXRSMPR-HNSNBQBZSA-N	567.589	5.630	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1	409223666	GVQCMCKDUQJKNC-UHFFFAOYSA-N	572.415	5.693	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2Cl)c1	409224795	LYTNEFMAFPAERF-UHFFFAOYSA-N	655.730	7.100	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	409267739	XKUMVLIDLMHFQQ-AEUUOICLSA-N	654.590	7.714	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)ccc1OCc1ccccc1	409269360	HWBOETDMWYDUGB-GXBUFBABSA-N	551.643	6.063	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1OC	409310887	XDZLAMHNLKYSJF-QDTIIGTASA-N	552.252	6.506	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc(Br)cc1	409318953	YVOOKSDEDCKRLS-APTWKGOFSA-N	589.486	6.778	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409325106	WYVIGJBEMFPKBD-VQTJNVASSA-N	525.841	5.717	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC	409335509	OQNKDYVLPBAJQT-UHBFCERESA-N	582.451	5.121	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1	409364011	KRJVQLFLMRFNAJ-UVHMKAGCSA-N	502.796	5.252	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCC(=O)Nc1ccccc1	409374338	MVLKSKJCYPGHNV-WQRHYEAKSA-N	517.383	5.724	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2Br)cc1	409382032	KTGFUJHYTDNGMT-AEUUOICLSA-N	670.589	7.415	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cccc(F)c1	409394344	ZFLPOLVGAFMHKC-IUXPMGMMSA-N	521.611	7.647	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1	409394892	HDIHEOZAOLGMIA-UHFFFAOYSA-N	715.320	8.370	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409395287	LYDYVEADOMMTHE-UHFFFAOYSA-N	703.284	8.501	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)[nH]c12	409395707	QVIAJENCSIDWGB-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)[nH]c12	409395952	UKLASITYZFNWOH-UHFFFAOYSA-N	679.796	8.559	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cccc4c3-c3ccccc3)cc2OC)c1	409397403	JMTBQWKRPZWADW-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397567	LIWCQOVXNHCZSB-UHFFFAOYSA-N	565.557	6.085	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397983	PXTFEYTYVJYVKG-UHFFFAOYSA-N	641.909	7.504	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(Br)cc1Br	409399553	JWAXGFONLADCOS-ADJDCTSUSA-N	786.315	8.905	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4cccc(C(=O)O)c4)c4ccccc34)o2)cc1	409405022	RTCJYWXHARAISN-CLHYIUPASA-N	600.675	7.040	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1O[C@H](C)C(=O)OC	409405680	UMTZQZDVDRNASD-CPJHJSKFSA-N	638.515	6.132	50	40	KKGB	
CCOC(=O)COc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	409406234	WHPURMMCEVYZEL-UHFFFAOYSA-N	580.037	5.634	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2-c2ccccc2)cc1	2287455	GBLHJQNISDJDQQ-OKCVXOCRSA-N	540.670	5.674	50	40	KKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H](C)Oc2ccccc2Br)cc1	2766190	UOWKLCIQKADTQH-UPHQNKNSSA-N	503.400	5.528	50	40	KKGB	
C[C@]12CC[C@@H]3c4ccc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)cc4CC[C@@H]3[C@@H]1CCC2=O	4823731	SFOHURGDKAWENM-VEAWFHDZSA-N	528.520	6.544	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2nc(-c3ccccc3)cs2)C1	9591631	PZLYQMQMQMMNDZ-XLIONFOSSA-N	503.407	5.240	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(O)cc3)nnc2-c2ccc(Cl)cc2)cc1	9763019	HDJAIEVBRBAHLP-OGLMXYFKSA-N	522.030	5.325	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc(C(C)(C)C)ccc2O)cc1	18193803	RBXXYFVVEHGXHL-JNXCJUGQSA-N	519.045	5.330	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)c2C)c1	28217216	FRXPEYIHQAHEIN-FADJLKOXSA-N	533.720	5.793	50	40	KKGB	
CCn1c(SCC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)nnc1-c1ccc(Cl)cc1	30742960	MRLMJFYFWFXISL-NTFVMDSBSA-N	506.031	5.440	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)ccc1O	30743022	LFSJTIHAYSOZHM-LQNQUEJISA-N	529.666	5.497	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)Cc2ccc(Cl)cc2)cc1	33930343	IJAPKQZWRGSANG-RHANQZHGSA-N	512.075	5.287	50	40	KKGB	
O=C(N/N=C/c1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12)c1ccc(O)cc1	58871795	NEFHMIPDROKPQI-WKULSOCRSA-N	500.963	6.397	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2sc3cc(C)ccc3c2Cl)cc1CSc1nc(C)cc(C(F)F)n1	97965684	MTRFRCWJTIFIEG-VPUKRXIYSA-N	547.052	6.964	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1	98048436	DTOCOHCPMGMPSX-XMMPIXPASA-N	532.463	6.248	50	40	KKGB	
CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=P(c1ccccc1)(c1ccccc1)c1ccccc1	100025790	GBWPWJVAJYTYLL-UHFFFAOYSA-N	650.891	11.288	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	100127164	RJBXNFKTYMJAFZ-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	100225355	JKLBUVSREWZFOW-WKIKZPBSSA-N	518.404	5.477	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1	100859792	BXHVPYNATQMKFS-UVHMKAGCSA-N	602.312	5.105	50	40	KKGB	
N#C/C(=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1	100903786	DQTIARWSTOUCIX-CPNJWEJPSA-N	542.798	5.241	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCC(=O)c1ccccc1	100940801	LGSFAPXSIHRMML-ODLFYWEKSA-N	521.425	7.451	50	40	KKGB	
CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)Cl)[C@@H]2C[C@@H]1[C@@]1(Br)C(=O)OC(=O)[C@]31Br	103976392	BDCGTXWFWOHPRU-RCDVPULJSA-N	576.753	5.928	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1cccc([N+](=O)[O-])c1)=N\NC(=O)c1cc(Cl)ccc1O	104316922	VQOSKOLJUKRWLW-HDDKTPPPSA-N	558.986	5.771	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	104953852	VIRFDXIHMSNBPR-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl	112255778	YUZYRXAJJSJWRH-MZJWZYIUSA-N	546.805	5.681	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341927	SLPXPPLYWSKAHU-OAQYLSRUSA-N	690.504	12.325	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1cc(Br)cc(Br)c1O	150409271	LKHSBXHGGLBYDV-LUOAPIJWSA-N	667.177	5.621	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)o1	150420072	KHFDTCXGXYWAGN-AUEPDCJTSA-N	631.164	5.048	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)c1cc(Br)ccc1O	150420689	AGVGNLGJXRZPPC-ZCRZUIFRSA-N	661.339	6.428	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1	209404487	FHOSMBBIHBOFCY-VXLYETTFSA-N	501.193	7.302	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1	211040135	FCUJRPHTFMMNOS-VUTHCHCSSA-N	512.075	5.758	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCc1cccc2ccccc12	226695396	UJZMKWVGOSSGKV-NEWILSARSA-N	568.455	6.308	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	408538852	CMPPJANWMKGGIB-QNHWSJEBSA-N	630.741	7.985	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)c(C#N)c1C	408547555	YXDIRAGZDVNPSL-XDHOZWIPSA-N	554.603	5.556	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408550046	AXLWMXZQMOWURF-CXUHLZMHSA-N	668.169	7.480	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408570157	SDNBSNAQZCIENF-WKULSOCRSA-N	543.110	6.244	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408579890	LCHZOLBRGZUWOX-FRKPEAEDSA-N	572.113	9.105	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cccc(Cl)c1	408599475	VKECYRONVLOBRS-IUXPMGMMSA-N	642.618	7.101	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408640150	HMJZKKNRWBZRAU-YRPNKDGESA-N	727.189	5.968	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)c1	408650340	MIZRWWHYHVXRLU-NKKDEYRYSA-N	744.820	5.586	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1	408719179	KEFGABCMADNBIG-CCVNUDIWSA-N	503.451	6.355	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccc(Cl)cc1Cl	408722216	FIXUAPOJMPYWGY-AXBAISPRSA-N	566.444	5.960	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408743444	AGHRIIOOLSTTIZ-PXNMLYILSA-N	658.117	7.494	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)c1	408745083	JPWZDCFVHXYTAW-UQQQWYQISA-N	526.036	7.271	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408746910	HQEDARAYCCGPPH-YVLHZVERSA-N	587.224	6.253	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408762007	JCZFCRRXRWDPTQ-CCVNUDIWSA-N	581.370	5.558	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1ccc(I)cc1	408773514	LLTYXWKMWTYCTM-FSJBWODESA-N	569.184	5.067	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2cc(C)ccc2C)cc1	408784682	WHXCWMUOKFIYTF-UHFFFAOYSA-N	511.732	6.584	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(I)c(C)c2)c1C	408791180	VWUBWOJGVSOWSQ-BRJLIKDPSA-N	566.237	5.542	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408795024	ULIBJJHJEAWUHV-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1c(C)ccc2ccccc12	408799896	JDELLZXMENQSAF-XQNSMLJCSA-N	541.445	7.434	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1c(C)ccc2ccccc12	408807988	LXQLMFNOBFECQS-KOEQRZSOSA-N	520.585	6.458	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(I)cc1	408811290	AYHVRTNJCNJKAO-DICXZTSXSA-N	540.357	5.779	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccccc1F	408814387	FRGQNFAGXDBAQR-WQRHYEAKSA-N	513.338	6.251	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1	408814848	SLOTXBQIZYBEEE-VXLYETTFSA-N	511.803	6.544	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408817286	VVFPVGDRAZQQOZ-MNBJERMJSA-N	638.303	6.596	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408818140	ZKPNISCHDHLYCF-OCKHKDLRSA-N	576.274	6.575	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408830788	YXFLECCVUFKUIT-YDZHTSKRSA-N	733.817	9.354	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1cccc2ccccc12	408836518	SCICOACVWISOKL-NJZRLIGZSA-N	568.673	8.251	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1	408840471	BZAHXCLRVPMTHD-FABQOPTDSA-N	662.493	5.719	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408842410	JXBFWLNXKJUJCC-XAZZYMPDSA-N	643.947	6.684	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	408843403	MFHZDTJAFNTVSR-KULFSUQXSA-N	583.639	7.755	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1cccc2ccccc12	408844915	PSABRMKITPOOLJ-ODQASSKESA-N	716.523	7.944	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408847500	NEIBUCAJFCXGBS-XFDYYPNTSA-N	673.438	9.593	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408856934	IFWXKFMEUJXQPM-NDZAJKAJSA-N	534.037	5.265	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	408860357	ZLYLHHOUYBLRBP-WKULSOCRSA-N	557.459	5.204	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408862059	HXVLMMNARCDEAH-XJECJHNESA-N	617.093	6.729	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1Cc1cccc(F)c1	408867106	IUIMULUVTPEXCF-GIJQJNRQSA-N	560.794	6.537	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408871566	YZTFFINDGPPOIX-FABQOPTDSA-N	654.558	6.138	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	408877384	VMWLZVSTYRAMGB-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
COc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1	408878665	AFSCDLFJUUEFAV-ZAROQNEASA-N	606.476	5.424	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1cccc2ccccc12	408881940	PDQMBFDOMBXCOJ-DJKKODMXSA-N	674.278	7.793	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Br	408885766	AKSGWGYNVAJDII-AWNIVKPZSA-N	509.154	5.373	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1C	408890883	HWAUTILTBPHGHS-RGVLZGJSSA-N	525.830	6.934	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccc(Cl)cc1	408892202	XUGMEYYGIQHRAR-XODNFHPESA-N	590.952	6.932	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)ccc1Br	408905153	ULRUOJIJLHSDIJ-AQHIEDMUSA-N	512.147	6.388	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1I	408905564	ZHTHUTYPQZQLPI-YVNNLAQVSA-N	640.057	5.687	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1C	408922786	GNICXDSZFXYRCV-VXLYETTFSA-N	617.827	6.685	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1	408924557	PFXNGZHRUOCJJU-XESRJCMYSA-N	731.600	5.919	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c(OC)c1	408948182	CFVXBSKKKYJXEZ-WLCOTJRJSA-N	780.470	6.673	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Cl)cc1	408949140	RZTAHGBHOWBGTE-QDTIIGTASA-N	540.801	5.939	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl	408963532	FHVPRUJHYRMPBT-OJIMSSLDSA-N	654.978	6.880	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408965241	UWJZJQNYEJQJOS-VFLNYLIXSA-N	566.330	6.118	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)oc12	408967238	PKPTYMMZLPQPIP-WKULSOCRSA-N	522.443	6.673	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	408971261	FCPAOTJHTPIQBG-OVPSKYCJSA-N	630.525	5.758	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2C#N)c(I)c1	408983960	OWOQHMXKOZYFQJ-OCKHKDLRSA-N	679.683	6.854	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409003044	QVZQCVISHYXKPJ-YQHALXOCSA-N	715.464	6.668	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1	409010003	AXRCRXDVPFXIJX-PKBNZAKPSA-N	637.692	6.778	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc(Cl)ccc2o1	409018308	KTGZMOKXJOVWKC-DANHRZQXSA-N	631.535	8.261	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409039942	ROUWKSRGCLQQJX-LQKURTRISA-N	531.435	6.092	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1Cc1ccccc1Cl	409046532	RLPYTVJBKLHQTR-JEPNHJGPSA-N	529.043	7.631	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccccc1	409066251	BFAXJHFFNIXEJC-MHWRWJLKSA-N	547.814	5.424	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1)c1ccccc1	409110097	RFCPCGVWCPJOPA-GFJMHBJRSA-N	530.477	5.633	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)c2cccc(Cl)c2)cc1	409121912	VVCAKQZWLYGNHC-QNKGDIEWSA-N	591.089	5.337	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(Br)cc1OCc1ccc(Br)cc1	409128519	PDPBVASHPOPSAL-FQEVSTJZSA-N	546.219	5.049	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	409161312	NAYLDYNJZOGXLG-UVHMKAGCSA-N	522.226	6.036	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409222626	CRMYLOZYRBSILP-NUNKMCJPSA-N	715.320	7.865	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1ccc(Cl)cc1	409224841	MKRAQMOUBPNSEP-WTYJXDNXSA-N	576.996	5.215	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	409259264	YIDUZEDFFVIURH-SXGWCWSVSA-N	589.671	6.428	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	409312194	DVMTZAFOZNIPDQ-AQLQTECXSA-N	667.782	6.752	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)ccc1OC	409316413	MPUIZZNQVQFVFA-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Br)c2)[C@H](C(=O)OC)C(=O)N1	409336384	RXSXBVVAEMYZLJ-YADHBBJMSA-N	651.377	5.201	50	40	KKGB	
CCc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409368479	XXILZZSZVNLRLP-MNDYBZJGSA-N	546.520	5.822	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371115	BFRFJFQTPUOHNC-NVMNQCDNSA-N	608.173	6.447	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409378775	RQKJAGDQKRVHRL-VHFSBPNMSA-N	688.579	7.635	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCc1ccccc1	409391804	LMPPDYJCLQJIOA-OKCVXOCRSA-N	518.411	5.752	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)[nH]c12	409394793	FXDHFNQHGZPNLK-UHFFFAOYSA-N	656.533	7.169	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409395293	LZSAEBCOHCQTEF-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397087	GACSSMRFMNDSLU-UHFFFAOYSA-N	647.606	6.871	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409398916	WLMLNDJXMIREHF-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409399300	ZEBMDCMISYHXOM-UHFFFAOYSA-N	573.565	5.997	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(C)cc1	409403491	NEEAAVCEYAKABY-GZOMZLSJSA-N	691.022	8.732	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)o2)cc1	409409756	QUODIANWEMLTEN-ALQBTCKLSA-N	568.029	6.903	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	1102294	NPRVLEQKYOHZCN-MHZLTWQESA-N	528.703	6.380	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1	2226094	RAFLIFHYTFVVFV-JVWAILMASA-N	535.471	5.005	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)cc2)cc1	6166439	UORNLKVOFKYBPL-CUCGCPRXSA-N	514.651	5.182	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	8721610	ISUALFMZGLCLKR-RPPGKUMJSA-N	514.793	5.132	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(I)c3)c2C)cc1	15013063	FCVKYQZLFYYRBD-UYRXBGFRSA-N	511.363	5.643	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1	20198007	BSLAPQOGNGRUMI-MUFRIFMGSA-N	501.410	6.524	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	33668822	BDABIYIYPYKWST-KBKYJPHKSA-N	508.745	5.907	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1OCc1ccc(Br)cc1	33860082	ZOPLQNLTDQUHGU-UNOMPAQXSA-N	507.340	5.281	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1	33924018	PYGXSAFIBOLETI-RHANQZHGSA-N	506.075	5.827	50	40	KKGB	
Cc1nc(SCC2=C(C(=O)OC(C)C)[C@H](c3cccc(OCc4ccccc4)c3)C(C#N)=C(N)O2)c(C#N)c(C)c1C	53334167	ZAYSMVQCTLZZEH-GDLZYMKVSA-N	580.710	6.263	50	40	KKGB	
O=C(N/N=C/c1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12)c1ccccc1O	58871808	UXACLUVNLGMFJF-WKULSOCRSA-N	500.963	6.397	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1	59367776	VWFXVYCXBYGCCC-KBVAKVRCSA-N	505.401	6.915	50	40	KKGB	
O=C(Nc1nnc(S[C@H]2C[C@@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)s1)c1cccc(C(F)(F)F)c1	95671334	KZQUGOZMDNOEQK-QXCFHYIPSA-N	569.472	5.938	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	97964216	CDCBZXJVUYRYRW-QZLACCJSSA-N	602.430	5.863	50	40	KKGB	
CCOc1ccc(Oc2c(/C=N\NC(=O)COc3ccc(C(C)(C)C)cc3)c(C)nn2-c2ccccc2)cc1	97991633	GLAKFUSFXBBZKR-RGXNXFOYSA-N	526.637	6.198	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	97997760	MHCAWFDKAWBNSC-AMVVHIIESA-N	600.724	7.306	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1nc2ccccc2[nH]1	100209599	BVEAAZXVQOZMFT-WQRHYEAKSA-N	521.314	5.509	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cc(Br)ccc1O	100853118	YFGOYXARGRMAIT-WNFQYIGGSA-N	529.894	5.194	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)cc1	100871873	HCSKEFAIMBARNW-WCKLRORHSA-N	547.636	6.081	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1nn(Cc2ccc(Br)cc2)cc1Br	101665528	OCZJWMKMOPDNTM-IPPBACCNSA-N	562.265	6.527	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)N=C2CCCC(O)=C2[C@H]1c1cccc(Cl)c1Cl	102868824	RIJGHFJEILEPPF-NRFANRHFSA-N	563.304	7.397	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)Cc4cccc5ccccc45)c3C)sc3c2CCCC3)cc1	103869397	GSMLBYFCJOOSBP-QLQYKETESA-N	574.750	7.441	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	103883398	YBVCGZYVKDJWFE-HMAPJEAMSA-N	532.984	5.092	50	40	KKGB	
C[C@]12CC[C@@H]3[C@H](CC[C@H]4CNC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)COc1ccc(N(CCCl)CCCl)cc1	104118627	XACVDPCGRAMKST-MEDYVDKMSA-N	577.593	5.806	50	40	KKGB	
O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)OP(c2ccccc2)(c2ccccc2)(c2ccccc2)[C@H]1c1ccccc1	104133501	VIRUMEGOLXUPNB-NJDVZMDPSA-N	576.676	8.443	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccc(Cl)cc1Cl	104953510	IMKQGXXKFKAZMU-MHWRWJLKSA-N	522.215	7.433	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	150365917	OCVZBRKZJAAPNU-OPFKHFCCSA-N	673.608	7.150	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Br)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	150386868	CVODXPFGTBLPOE-ACXHZZMFSA-N	643.947	5.484	50	40	KKGB	
O=[P@]1(NC23CC4CC(CC(C4)C2)C3)OC(CCl)=N[C@H]1c1ccc([C@@H]2N=C(CCl)O[P@@]2(=O)NC23CC4CC(CC(C4)C2)C3)cc1	150408915	KOGPCLWTOFOKSA-PLPATHKPSA-N	679.566	8.522	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)cc(Br)c3O)nc3sc4c(c3c2=O)CCCC4)cc1	150451063	ORVZHDNIAJBDNJ-XKJRVUDJSA-N	662.429	6.107	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)Nc3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	217039568	HFOCCVWHZCGKOT-STBIYBPSSA-N	537.041	5.788	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408541384	GDIARDDFKFITJR-UUYOSTAYSA-N	513.506	5.155	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)ccc1OCc1ccccc1	408551654	LTWNYVSJRLCSJU-HQDYHJHZSA-N	592.479	6.753	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408610923	OZVHYNWBARVOQW-XKJRVUDJSA-N	510.299	5.680	50	40	KKGB	
O=C(NNc1ccccc1OCc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408612184	XWGMIHPKRQMGPV-INIZCTEOSA-N	549.252	5.831	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408641985	LTORVYXDYMGIOJ-ZCQNZVIGSA-N	816.124	7.137	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408668254	DAQAGWHZEGXSEZ-LUKWVAJMSA-N	584.393	6.972	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccccc1Cl	408730707	HIJGBSJMUJBHIE-UCMJSZAQSA-N	554.875	7.991	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408733496	YMGGYGKIIUPGTP-BVMLUPFRSA-N	529.021	6.003	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408745211	QGYKXFJKSMLBKI-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408746673	VHJMGOONTYFQSR-XKZIYDEJSA-N	639.287	7.340	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc(I)c1	408753906	KZKFEEWFCWSCLM-YVLHZVERSA-N	546.206	6.007	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408775613	JFBPHGMYIQXBTN-KQWNVCNZSA-N	520.427	5.201	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408790071	NBHVFTDIKBNVKV-RQZCQDPDSA-N	546.794	7.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1C#N	408797530	SKONOLBMCKDOTR-FSJBWODESA-N	577.422	6.303	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	408799162	YFJYGNNRBOBZQC-SSDVNMTOSA-N	704.733	8.136	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2cc(Br)c(OC)c(Br)c2)c1Cl	408807128	CCRLOACFVYEQFT-YPXUMCKCSA-N	634.108	6.804	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	408820048	STTFRULQPGSAPL-QRVIBDJDSA-N	537.443	6.541	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408822823	CCHOWYAJXNKMDN-YBFXNURJSA-N	586.269	6.901	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408827670	FUGFSFXMFCYVPS-ODQASSKESA-N	755.902	7.660	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	408838380	VSESNCPNERHCRG-VFLNYLIXSA-N	582.278	6.054	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408841128	JBQXXHMZIPSDEC-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl	408843666	RPPJCNIGVXFNPC-VYVUJPJFSA-N	575.396	5.847	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)cc1Cl	408843799	UFGHDNIXGRZVKS-KVAAJVFYSA-N	707.430	6.698	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1OC	408846405	NFGUFHHZINVJGP-PLRJNAJWSA-N	620.127	5.607	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	408847317	UYPCLMQERDDOIR-MUFRIFMGSA-N	503.027	6.844	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NNC(=O)c4ccc(Cl)cc4Cl)cc3)sc2c1	408848397	WCFFLXSPOJKULI-UHFFFAOYSA-N	532.836	6.497	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cc(Cl)ccc1Cl	408850026	CZXUYGZQWQEZQA-RAWMCFOBSA-N	505.199	6.674	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(Br)cc1OCc1ccccc1	408851587	LLSLKRHOMVYGIA-UXHLAJHPSA-N	517.423	6.273	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1C	408852469	LFYOQNZIUKOHTD-YBEGLDIGSA-N	511.365	5.004	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408852506	GQOCYHUOTCLAPQ-LRIZEKIPSA-N	614.543	8.711	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1Cc1cc(C)cc(C)c1	408865642	DLFWXIXSTZCQHH-SRZZPIQSSA-N	581.410	6.351	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1Cc1ccccc1Br	408871879	YRWNQQNZZNNIHA-XDHOZWIPSA-N	540.255	6.747	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Cl	408889359	CXVCOKMMESAKSO-RQZCQDPDSA-N	546.794	7.078	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1	408924963	PTZBQDDHUCQCLB-LFIBNONCSA-N	503.363	5.315	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)c(OC)c1	408951505	IZOGODXJMJDFCW-CJPARAFHSA-N	760.557	5.137	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccccc3F)cc2)c1C	408952147	VUTJZFUPZQYRSG-UMSFTDKQSA-N	669.779	5.697	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408973268	YAGBHEMJQDRBAR-HDNNTFNPSA-N	516.425	5.622	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c2ccccc2)cc1	408977475	DPNIMOURUZWQTL-FFWKWCQCSA-N	685.438	6.659	50	40	KKGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)OCc1ccccc1	408993738	XHVKDVPILROTSZ-IDLRGBTASA-N	626.511	5.892	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409017769	HHUQRRBIHSVMPV-CAQPMQTCSA-N	551.628	6.231	50	40	KKGB	
COC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1I	409019986	LFYBKQIFXWBINE-HCBMXOAHSA-N	808.930	5.325	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409021947	AWPMPFMITOVBRX-YNFMAFFXSA-N	697.698	6.206	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(C(F)(F)F)c1	409024912	JFNGYYMUFPESHD-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)cc1	409028060	JDJGZMUVSZTHSJ-AACHKTFOSA-N	600.697	5.110	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409028227	JPNIUSIOLORLCN-QNKGDIEWSA-N	603.697	5.027	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1	409044882	CZPGADCUCQRSHG-VCHYOVAHSA-N	514.173	6.763	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCc1cccc(Cl)c1	409070160	KUVQIJNFKNPETH-LFVJCYFKSA-N	517.025	6.991	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c2cccc(Cl)c2)cc1	409111529	DFUOYZRYKBJWBQ-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCc1ccccc1	409112984	GCHHSXYLXXBAGN-RUMWWMSVSA-N	557.672	5.562	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409135190	XOARTIRCBQVSRZ-OAQYLSRUSA-N	656.645	6.052	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Br)cc1	409147160	VAXDXKYWIMTOKP-NRFANRHFSA-N	560.242	5.614	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4ccc(I)cc4)cc3Br)cc2c1	409184340	KPFHDTLZKDSGJR-MNDYBZJGSA-N	663.306	6.940	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409219207	OFRHQIWIWJXQFX-UHFFFAOYSA-N	565.935	6.594	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	409220383	YJEGHBQOICVZRY-ZUXCKLAVSA-N	554.002	5.984	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1cccc(F)c1	409234110	LYGVPWZYEIIBSV-FPJJECCMSA-N	523.402	6.350	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)n1	409237250	IYTDAUMFNNDVMB-OPEKNORGSA-N	519.852	5.331	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409247158	BLHOZYRGAJITFB-AEVGBRMKSA-N	698.643	8.031	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCCCc1ccccc1	409250926	OWGWZEZVLYFCSC-XYGWBWBKSA-N	559.891	7.491	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409253234	WNOUJSFGLZFVQF-MHWRWJLKSA-N	514.340	5.704	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1	409255210	KXMLQONCZNJMAV-VCHYOVAHSA-N	571.225	6.510	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409317304	OURFGMRVRHRZKH-CNCDYAKUSA-N	687.409	6.971	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1OC	409320802	CKECZPNNVZCQHK-FDVSRXAVSA-N	530.408	5.572	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2F)NC(=O)C[C@@H]1c1cccc(Br)c1	409322780	LATCCVJSROOROW-CQSZACIVSA-N	539.224	5.061	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1	409323352	NLWYSRFVKQXJOK-BYDMSBDESA-N	723.296	8.282	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)NC(=O)C[C@@H]1c1cccc(Br)c1	409324456	UHFAIDRCOIRYPU-MRXNPFEDSA-N	511.228	5.466	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)ccc1OCc1ccccc1	409326089	GOLGWUAJOUMFNT-OHUYPAJKSA-N	638.356	7.532	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1OC	409334690	MJNLAUPKBAKRKT-DICXZTSXSA-N	624.307	5.317	50	40	KKGB	
Cc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1	409372005	NNGBPASLMAWWKM-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCc1ccc(Cl)cc1	409384022	WMKYRGNYSOIZJO-VCHYOVAHSA-N	590.895	7.799	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1cc2cc([N+](=O)[O-])ccc2s1	409387870	XOPBZNJDGPFQMW-AUEPDCJTSA-N	504.749	6.249	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Cl)cc1Br	648676	QVVMSVOGFACXMN-HSZRJFAPSA-N	543.845	6.141	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	729014	NJZIJHLUOFPKBS-VWLOTQADSA-N	502.571	5.434	50	40	KKGB	
COc1cc(/C=C/C(=N\NC(=O)c2ccccc2)c2sc(Nc3ccc(Cl)c(Cl)c3)nc2C)ccc1O	1626265	ZATAOEBGRWUVMS-RXOVHVMJSA-N	553.471	7.064	50	40	KKGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	1763310	DVHRJUQGOVOQBC-JTHRFTPNSA-N	571.464	5.309	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc2)sc2c1CCCC2	1785208	UFYJVUIAKKOQTL-MUUPNBPSSA-N	588.513	6.280	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1	2293539	MJNJPVASJMZBLR-AJBULDERSA-N	527.694	6.263	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196245	CHOWGQDHUQUJQN-DJKKODMXSA-N	546.248	6.567	50	40	KKGB	
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2NC(=O)Cc1ccc(N(CCCl)CCCl)cc1	4830922	NYHIYBJOBCXRTR-QUBFWBSFSA-N	529.552	6.260	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)N=C3CC(C)(C)CC(O)=C32)cc1	8387669	ONIHSLKWGBOOAI-XMMPIXPASA-N	508.043	6.626	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc4ccccc4c3)nnc2-c2ccccc2)cc1	9763210	PTHLSRCORWKDQD-NJZRLIGZSA-N	521.646	6.119	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccccc1	13896486	DAHSFDZVDNAJDS-ONUIUJJFSA-N	506.429	5.329	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	14408925	IMJFKAAZEOBYKZ-BRJLIKDPSA-N	503.194	5.137	50	40	KKGB	
N#C/C(=C(/NC(=O)c1ccccc1)SCC(=O)Nc1ccc(Cl)cc1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl	33354545	JVTRVFPILNUSDJ-OYLURJPMSA-N	614.554	7.887	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2Cl)cc1	59647344	KSVOTFDJDBYJTQ-LQKURTRISA-N	552.996	5.162	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1	59856767	YQZKPZBMWGEPOF-OGLMXYFKSA-N	533.481	5.185	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	83309476	WTFJTBVEGBROGX-WPDGFUPNSA-N	504.679	6.014	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)cc1	97960482	VUQWTXACZLVTDK-IPPBACCNSA-N	576.260	6.631	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	97960483	FEKWWGZUDHTBNP-QFEZKATASA-N	516.189	5.124	50	40	KKGB	
CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(NC(=O)C(F)(F)F)cc3)c3cccc(Cl)c3n2)cc1	97965702	RHBPWXCPYQBWAW-QNVXDBMFSA-N	538.957	6.772	50	40	KKGB	
Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	100063578	UCCJYLCGELBSFM-IPPBACCNSA-N	529.265	6.760	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1	100134356	BKSLSJLSYUCFIN-BRJLIKDPSA-N	531.204	5.242	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1Cl	100336341	OESBQWWOWNANKW-ODLFYWEKSA-N	558.803	6.386	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2C(=O)O)o1)c1nc2ncc(Br)cc2[nH]1	100488066	XQYBPJFASMXQTI-BJMVGYQFSA-N	514.133	5.505	50	40	KKGB	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)c(C)c1	100905490	VBGHJGASUGZEAN-KGENOOAVSA-N	550.434	5.513	50	40	KKGB	
CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3)c3cc(Br)ccc32)C1	101090450	MRFPSSZYPJMZRY-SOUQNNKTSA-N	543.893	5.441	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	101147325	UDEYGMCEFGDMFW-FNBPXTNNSA-N	522.945	5.452	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCc2ccc(Cl)cc2)N1	102807330	GQVJNESCRAAXQF-VWLOTQADSA-N	540.903	7.915	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	102807567	PODUJPKWYBKFOU-DEOSSOPVSA-N	552.425	6.132	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccc2ccccc2c1	102965017	WSXJIKGZOIRZPS-FSGOGVSDSA-N	556.489	6.483	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341964	LQKFQCVCSLMLLV-QFIPXVFZSA-N	1004.570	16.527	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccccc1[N+](=O)[O-])N2	229851119	WBPSLDSHGDXHBE-AEXWLAFLSA-N	525.970	6.240	50	40	KKGB	
COc1cc(COc2ccc(/C=N\NC(=O)c3cccc4ccccc34)cc2)ccc1OCc1ccccc1	408538623	ARYKQDMZDYSJKX-ZXSNDDASSA-N	516.597	6.770	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2OCC)ccc1OCc1ccccc1	408539480	WOGIMCHKNYLPGE-PKAZHMFMSA-N	657.561	7.959	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1OC	408539988	LKHWTKIBCRBQSD-CEUNXORHSA-N	511.460	7.114	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408543596	PBKBSNGETQSUFE-ZDLGFXPLSA-N	582.382	5.248	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)c(C#N)c1C	408547022	QKEREEUTPAQFHD-ZVHZXABRSA-N	520.610	6.556	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccc(Cl)cc1Cl	408551633	DWFLOVASZXCRNZ-GIJQJNRQSA-N	631.379	8.091	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1	408566539	HNBUAKILXPZYNJ-KBVAKVRCSA-N	598.868	6.768	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl	408568004	RJHAUHYSXXHZSS-KPGMTVGESA-N	586.313	7.580	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408568598	VLLPMVVGYDRWLB-XAZZYMPDSA-N	721.204	7.772	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1Cl	408569031	YEHKYCFZUJCUAS-OKCVXOCRSA-N	543.889	6.680	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccccc1Cl	408569259	ZUPUBFHKMVDBIB-KBVAKVRCSA-N	604.916	6.913	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408581059	TYHIEEFQKSLTGR-OVCLIPMQSA-N	600.718	7.737	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(Cl)c(Cl)c1	408585882	JVMWYTNQDCKMOD-MFOYZWKCSA-N	538.066	8.162	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1C	408639053	DZUMMOFPAVVSPY-WTGUMLROSA-N	645.175	5.772	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408650216	ZXALQDIBJDTJHM-UONLAYADSA-N	697.610	6.292	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21	408663196	YHDOCZKCWDWDLV-GFZAGDHASA-N	568.284	6.082	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408677914	VXLYMMLNWWASEY-FJEPWZHXSA-N	577.306	6.708	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	408681891	JQSAPPVZCTWQMQ-FPOVZHCZSA-N	533.172	5.902	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1ccccc1C(=O)OC(C)C	408711611	BKOMCPNYWNBLAO-VULFUBBASA-N	529.378	5.028	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1Cl	408740093	DFQLEKFFECSNPR-JBZNKQRISA-N	738.025	9.421	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	408744087	WISYOVGCFZTPOO-STKMKYKTSA-N	530.584	6.882	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)c(I)c1	408745036	OVZZACGKDGPUHY-HAHDFKILSA-N	544.392	6.878	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408747672	RJQADUPDGFANSD-APSNUPSMSA-N	546.204	6.609	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1	408765142	KJDJNRKKZQRRFZ-UYRXBGFRSA-N	539.407	5.274	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	408766070	OJTJASDLDGRQRT-NTEUORMPSA-N	597.230	5.977	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408768612	YXPVITJYHDUXKR-ULJHMMPZSA-N	532.482	6.792	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC	408790502	PRSKUHIOCQQMIT-XNTDXEJSSA-N	504.178	5.168	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)c1	408791681	ASTGECOXUNNMBR-VXLYETTFSA-N	666.151	7.558	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)cc1	408801326	VFYZBYOEOGBTMW-VCHYOVAHSA-N	574.802	6.086	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)cc1OC	408827812	GZXNWBJQRFTZBF-FDAWAROLSA-N	625.545	5.219	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl	408836690	UJYLZGQHSWBWSJ-XSFVSMFZSA-N	523.814	6.792	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408838629	YONUCCKYIKGXLA-MHDJOFBISA-N	678.392	6.084	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408839674	VHPMCZCDEVYPFZ-ROPCREHHSA-N	645.724	7.645	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2I)c1	408844634	DVNXVVGVLKCCNJ-WGARJPEWSA-N	510.331	5.689	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2-c2ccccc2)cc1	408848408	WDDLMGCUZFPHIX-GPTJDYLESA-N	722.270	10.272	50	40	KKGB	
O=C(Cn1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21)Nc1ccc(F)cc1	408852840	JFHKXABDCZKZMH-DBFSUHOCSA-N	533.357	5.692	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408854035	VYYWPDNEPUSXIA-FXMZOFOKSA-N	641.541	7.717	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1	408856651	JNEIWLKZPJJRJS-XKJRVUDJSA-N	560.832	5.371	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Br)c2)c1	408874781	AQIQCNARVREJKX-CIAFOILYSA-N	524.256	6.965	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408877824	YSOLBYKCFMCBOK-PPFNPFNJSA-N	600.697	5.000	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3cccc(F)c3)c(OCC)c2)cc1	408879846	HGIHNQHQXXMPMJ-CIAFOILYSA-N	551.412	6.300	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2OC)cc1	408880841	JAMNZYOKCJQCKQ-VIZOYTHASA-N	576.776	6.337	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccc(-c2ccccc2)cc1	408891149	MGTUPFSYENBKJN-MWBNBJEGSA-N	573.644	7.673	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408892697	BWPQQOQPOMRRJE-RQZCQDPDSA-N	528.348	6.043	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OS(=O)(=O)c1ccccc1	408897429	SBGVYJQZLQFZKR-UZWMFBFFSA-N	566.720	5.846	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1ccccc1	408923039	DULSHUQIMKZHAY-FMFFXOCNSA-N	608.116	5.672	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc(C)c2)c(Br)c1	408924680	NOFLVWIWLRDURB-GIJQJNRQSA-N	601.251	6.562	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	408938333	HPWZNWVZCAHWFR-DBSPGSINSA-N	652.545	7.655	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1cccc(C(F)(F)F)c1	408961720	DPBQJUVHMDCGET-VPUKRXIYSA-N	668.166	6.397	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(I)c1OCc1ccccc1	408969804	UYUYTEQOAABPNV-MZJWZYIUSA-N	556.356	5.398	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(OC)c1	408970499	ALNJUBPBNXIYDY-SLEWJWGASA-N	585.532	5.493	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408971296	FPELLBJHBGBYQU-PLVGMKOESA-N	695.394	5.352	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1	408972025	OEUCPXALBQALNF-YXVQLENNSA-N	563.279	5.401	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1	408973591	UOMIXOCAZXUNBL-DLVLXDSPSA-N	601.487	5.929	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)cc2I)cc1	408996036	CPQFPMHFLLXSNS-WSBIKYRQSA-N	843.459	9.062	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	408998866	JFJWYULHFVREDQ-ZXSNDDASSA-N	619.143	5.050	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	409001818	KVLMSUDAXMVGDP-ZYVHIHPKSA-N	561.082	5.903	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409035616	JPUBCHFPCVGKNV-FDAWAROLSA-N	549.612	6.805	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)ccc4OCc4ccc(Cl)cc4)cc3)cs2)cc1	409039352	QNHKVPVNIJQLJK-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409092159	VVODMMNJRNHCNV-OQLLNIDSSA-N	620.325	7.350	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1)c1cccc(Cl)c1	409111586	DJYCDDLLUWFOHB-CPDSRJINSA-N	557.941	6.639	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)c2C)c1	409114791	LEOHEXRSTXEVLX-FDAWAROLSA-N	640.547	5.661	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	409142593	AYIXWAJOLCSBBV-HNSNBQBZSA-N	636.568	5.686	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccc(Br)cc1C(F)(F)F	409159109	MNZCOKKQUSQJBF-QFDQHJFZSA-N	615.765	5.367	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccc(Br)cc1	409193563	GPURZUZWKRJXGD-YVLHZVERSA-N	534.248	5.765	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409216392	HUDUZZAPTVCXDB-XODNFHPESA-N	624.884	5.863	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409227384	YFMFIZMQNLQBGS-XDKVNKHJSA-N	643.450	6.001	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)n1	409234901	AHXXMDOTMVNTCJ-VTNSRFBWSA-N	527.738	6.211	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409260190	MHIQAEAJSHJQJR-BKUYFWCQSA-N	503.986	5.919	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409264448	LKLIZGOAQRGDIY-YBFXNURJSA-N	615.855	6.215	50	40	KKGB	
CC(=O)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2cc3cc(Br)ccc3o2)nc2ccccc2c1=O	409277952	CGRIJFMQBWPGFQ-UHFFFAOYSA-N	547.321	5.288	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409314138	RMYNSDATXISNOU-QRQIAZFYSA-N	552.540	5.645	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1OC	409316293	MABJSXUKBSUHJV-MBTHVWNTSA-N	529.818	6.019	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409323596	OPTZPAFTAMZEFP-MNDYBZJGSA-N	533.839	6.953	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409325674	ZMNPTXZIWURVPX-AAPHRLRXSA-N	584.334	7.050	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc2c(c1)OCO2	409359229	ALLSELFUNQXSGY-LSCVHKIXSA-N	513.185	6.583	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409368876	QSUVJEXOIIIJNY-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OCc1ccccc1Cl	409381441	GZBWZLMIBVCYJF-GIJQJNRQSA-N	547.780	5.593	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409384916	GDEAHUKMDFVUNE-RPPGKUMJSA-N	540.941	5.723	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccccc1F	409385732	JVTPKGNLKPTRMH-CXUHLZMHSA-N	592.343	6.179	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396324	LJZSAOKTWMYWIA-UHFFFAOYSA-N	589.545	7.375	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397584	LMIJVCSXHMCLCU-UHFFFAOYSA-N	650.902	7.906	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398809	VYFDGMOWTPMDAG-UHFFFAOYSA-N	628.081	6.896	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1	1529548542	ISWZPENXNOZFPQ-LAXCASJBSA-N	804.576	5.184	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1	1529548984	RLBADZBFJOTDNC-IZQZZFRNSA-N	671.603	5.856	50	40	KKGB	
COc1ccccc1/C=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1	3664534	ZOGUJWZDUIAOSG-TWKHWXDSSA-N	513.619	5.163	50	40	KKGB	
CCOc1ccc(C(=O)[C@@H](Br)CCCC[C@@H](Br)C(=O)c2ccc(OCC)cc2)cc1	6600740	QMWHPWAIBANBLA-SZPZYZBQSA-N	540.292	6.637	50	40	KKGB	
COc1ccc(OCc2cccc(Br)c2)c(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1	8396638	MYOHUALKIVLRDR-DPNNOFEESA-N	629.540	5.922	50	40	KKGB	
COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)[C@H]2[C@H](CCCN2C(=O)C[S@@](=O)c2ccc(C)cc2)[C@@H](Cl)C3)cc1	8665697	FUFMXEHZPUASGK-ZHBBKJRLSA-N	611.185	5.446	50	40	KKGB	
N#CC1=C(N)OC2=C(CN(C(=O)OCc3ccccc3)C/C2=C\c2ccc(F)cc2)[C@H]1c1ccc(F)cc1	8733587	GYSRQUVOKYQRFD-QNLDRXPYSA-N	511.528	5.763	50	40	KKGB	
CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	9057796	TXNYRJWWDZKXPF-OBGWFSINSA-N	500.451	7.831	50	40	KKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1	9428602	NXVJIBDAJQLPPG-AHCSBEPMSA-N	516.066	6.748	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1	15930119	WSKTULGPDYDNCM-VUTHCHCSSA-N	500.628	5.141	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccc(C(F)(F)F)cc1	30735418	JNJWTCHXLDNAJA-OPVMPGTRSA-N	502.996	5.745	50	40	KKGB	
CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C\c2ccc3cc(OC)ccc3c2)cc1	33349740	UUXNLGPMLNJEBK-UFQGGLMBSA-N	507.590	5.558	50	40	KKGB	
O=C(N/N=C1\C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cccc(Br)c1	59461511	HVDKHAZQBOILOG-JVCXMKTPSA-N	510.391	5.719	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1	97946742	UUYDTUYTSKAQLS-PTGBLXJZSA-N	574.641	5.262	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OCc1ccccc1	97964249	FAMVRARILAYFDA-FDHFHZCJSA-N	562.670	5.652	50	40	KKGB	
COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3ccc(Br)cc3)CSC2=C1C#N	98048486	CNDDNEQIESLXRE-MRXNPFEDSA-N	535.261	5.440	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCc1ccco1	100056315	MTNXTFLGWPKUBB-LICLKQGHSA-N	516.189	5.607	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Br	100201421	UZRCDFIAAKNSOW-UVHMKAGCSA-N	557.242	5.229	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1F	100411004	WLLHULSTMPTMPR-BVMLUPFRSA-N	603.459	5.205	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C(C)C)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	100956116	LKRZIHJPWYDQGY-APTWKGOFSA-N	586.714	5.500	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)c1nc2ccccc2s1	101034142	CJLIEGOSGPAOKD-ULJHMMPZSA-N	528.612	7.931	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccc(NC(C)=O)cc1	101427412	VZRUHCQWGNMLBX-LTGZKZEYSA-N	542.617	5.657	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Cl)c(Cl)c2)N1	102616786	SICVHICVCCNWRE-XMMPIXPASA-N	524.429	6.537	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	102808845	YDKKKKAJVVCVKO-GDLZYMKVSA-N	582.682	5.578	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2Cl)N1	102809856	NXAWMLLDQYZDJF-HHHXNRCGSA-N	547.055	6.494	50	40	KKGB	
ClC1=C(Cl)[C@]2(Cl)C[C@@]1(Cl)[C@@]1(Cl)[C@H](Cl)C(Cl)(Cl)C(Cl)(Cl)[C@@]12Cl	104202308	ZMRXZSLKCSISDN-MNDKRXPHSA-N	513.117	6.972	50	40	KKGB	
CCCCC[C@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)CCCCC(=O)O	150387348	FORAJHFPTGBBRG-QEOLJSOUSA-N	757.860	8.573	50	40	KKGB	
CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C\[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC	253496133	KASDHRXLYQOAKZ-OJXKBVLHSA-N	810.466	5.719	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(Br)cc1	408530090	LAQIRORIHUBQPK-MFOYZWKCSA-N	538.066	8.162	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)ccc1OCc1ccccc1	408538326	LAZSXRBISIXSFX-WBFBQHAKSA-N	798.557	10.009	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)cc1	408538398	MGJBKUUUUMDRDR-ONUIUJJFSA-N	550.611	6.416	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	408540374	QWRGWRSJWBOCEX-ZXVVBBHZSA-N	506.558	7.216	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552983	MJLWUHXOGLUVGU-UKTHLTGXSA-N	544.883	7.204	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	408570747	YASMOAABXSRDDN-OKCVXOCRSA-N	586.135	5.764	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408583126	RTGTXABXKRRTSP-DEDYPNTBSA-N	575.424	5.839	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408643973	GQNXNXLUQSWAJK-MCBCHBBLSA-N	549.813	5.177	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OC)c1OCc1ccc(Br)cc1	408676604	LHOCCFVSNKFOTP-ZCTHSVRISA-N	548.481	6.129	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408744699	MPZNVZPAJRRTGG-ODLFYWEKSA-N	599.381	5.731	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)c1	408747005	XVQVPYAPRAGXAF-ZDLGFXPLSA-N	560.673	7.298	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)NCc1ccccc1	408747776	SUQNRNABZVBLRJ-CFRMEGHHSA-N	623.288	7.009	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(I)c1OCc1ccccc1	408748551	DYJIVUPJLLBZOY-CVKSISIWSA-N	530.362	5.041	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1	408758933	VBGVCYDHENZIQF-CMRFDPCTSA-N	605.544	5.163	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1cccc(Cl)c1	408758966	VQEITTVYFVMFMA-YSURURNPSA-N	525.628	5.742	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(I)c1OCC	408759093	XREYUPPQAWTQFW-NTEUORMPSA-N	541.183	5.397	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1ccc(I)cc1	408780468	ZIGICPVKVSGCGI-DICXZTSXSA-N	523.374	5.381	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1	408788728	FPRKENLOIZILBA-YBFXNURJSA-N	573.228	6.487	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408790494	WNWHFXGNZQZERI-LPYMAVHISA-N	549.421	6.233	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408790577	WZFNNUPZNPNVCG-VCHYOVAHSA-N	571.225	6.553	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408792066	HGOWKCTXFKCYNI-YBFXNURJSA-N	586.357	5.350	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cccc2ccccc12	408793344	OMLKBDZKKBEERT-RGVLZGJSSA-N	537.830	7.933	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408794949	UFMJZNBXAHCVKU-VIZOYTHASA-N	646.081	7.624	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408797521	SHHIIPDFGQSKHG-GIJQJNRQSA-N	603.800	6.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408797701	SZCZBUIITFDXFL-UDWIEESQSA-N	536.382	6.189	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)NC3CCCCC3)o2)cc1	408830261	NUDKWKZLGDRPJQ-ACXHZZMFSA-N	605.544	5.185	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OC(C)C	408832117	RFBYBNBXWJJMEP-FYJGNVAPSA-N	614.334	7.522	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(C)c(Cl)c2)cc1	408833943	XMNOJKLGFFHLJG-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408835425	WWBIOLQLSVKDGD-SSDVNMTOSA-N	721.262	10.165	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccccc1	408837934	ATBCMRDWOAGYHT-FABQOPTDSA-N	674.564	7.818	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1ccc(Br)cc1	408839669	VGTBXBCPXSLMGU-DPNNOFEESA-N	665.338	6.846	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1	408845862	ZTFMSLDRZHRHLN-RPPGKUMJSA-N	532.778	5.671	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408848156	PSBAIKGBAYLHAE-LGUSAWBASA-N	674.596	7.449	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408849871	ACQZZOQBQAGOMN-NKFKGCMQSA-N	576.074	6.268	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1Cl	408850642	QAYAYNUGHYSEBC-SXGWCWSVSA-N	522.215	7.433	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2Cl)c(I)c1)c1cc2ccccc2o1	408854534	HSUQCFXSPJUXLV-ZMFRSBBQSA-N	530.749	6.034	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc2ccccc2c1	408857789	MPBFODPNXCRAPU-LJUMEUDFSA-N	543.417	7.090	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1	408858270	RGQRZYREKIYCGC-WBIBEUCMSA-N	769.275	8.925	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408858323	OHKTWFWQYFLDDA-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4cc(Cl)ccc4C)c3C)sc3c2CCCC3)cc1	408858407	SBEPDNAWDNHISC-JLPGSUDCSA-N	583.157	8.103	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	408862697	IMKNJZCJNCQXOO-BIZUNTBRSA-N	623.573	5.909	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cccc(C(F)(F)F)c2)cc1	408871991	IVAKWLQOHGHFDN-KVAAJVFYSA-N	647.517	6.529	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(Cl)cc2)cc1	408873111	NAAGZROBQPLXRP-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c1OCc1ccccc1	408888542	WVRJLVVGRYOPQN-XMHGGMMESA-N	510.331	5.424	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OCc1ccc(C)cc1	408891337	OUIGOSQQDSSEFO-YBFXNURJSA-N	650.254	6.338	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1I	408892348	APZKWJQGVKUZHU-ODCIPOBUSA-N	588.998	5.365	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc(C(=O)OCC)cc1	408944609	JDEAOLBJCTXPKT-GDLZYMKVSA-N	882.515	5.537	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(Br)cc1	408966034	YSLWERBJHXGLGR-KPGMTVGESA-N	561.398	6.938	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1	408969111	HMOIDLYGQAFSJC-VJVDTGGGSA-N	609.466	6.115	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC	408970205	CONAZKMNICIWHC-MWRDTLLRSA-N	650.341	5.454	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(C)C	408971524	HPIUOFLSLJCQDM-UPNUMPKWSA-N	586.516	5.682	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408971976	NASJRUSIKUONAO-AENKOBGZSA-N	619.332	7.205	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408991027	YRKRVXGOSFPJTD-LSCVHKIXSA-N	594.720	8.241	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409014040	DQQKBUWTTKSNQN-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccc2ccccc2c1	409022423	NHCJSLCRKGPEGG-BVMLUPFRSA-N	563.835	7.353	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1I	409022905	HUOFVHSPMMVMEP-RMORIDSASA-N	606.585	5.624	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1	409074965	VUTBANLKHYJEJZ-XNTDXEJSSA-N	507.782	5.960	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409208164	BNFWBESBEPKZDZ-ZDLGFXPLSA-N	510.300	5.917	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409253929	CHQFLMTUQWXNPU-FZKWRIDDSA-N	632.511	6.217	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)cc1	409267915	WTEABWDUYJMBCE-UDWIEESQSA-N	627.333	6.790	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409270843	IEBGHVHGZVEUOW-JAIQZWGSSA-N	548.983	5.827	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OCC	409318364	VXBLDOLFANRAAO-ACXHZZMFSA-N	561.513	6.366	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OCC	409323239	ZVSYTFBVQWAMRD-DXJNIWACSA-N	533.625	5.363	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC	409326190	HXTRJTINJBNSJC-DICXZTSXSA-N	540.916	5.676	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409331426	DCVMUUCKLWVXMU-WOJBJXKFSA-N	568.866	5.155	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)ccc1OCc1ccccc1	409331994	FMGLXQQCEFUGED-OHUYPAJKSA-N	593.905	7.423	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc2c(c1)OCO2	409362842	KIIDYGWYYQKLAU-IDUWFGFVSA-N	503.179	7.128	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(C)cc1	409386197	OTXDRTNFAFRVLQ-UVHMKAGCSA-N	554.422	6.232	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Br)c3)[nH]c2c1	409393752	ZWVWCNCGXSGIBF-PXNMLYILSA-N	512.766	6.770	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccccc1Cl	409394832	GMHYVNDCCHLIGX-UHFFFAOYSA-N	777.638	8.601	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)c1	409395684	QPSGAOKNPLTBCP-UHFFFAOYSA-N	620.862	7.382	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397091	GBKLUSPRHMOXKH-UHFFFAOYSA-N	642.462	6.326	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397278	IGKCJHMXCVPFGF-UHFFFAOYSA-N	606.893	8.177	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409397927	PNTRYARFNAUPFR-UHFFFAOYSA-N	598.055	6.887	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3cccc4ccccc34)o2)cc1	409404564	QGVRVVZSKYJBHT-KWQVAVEISA-N	693.554	8.433	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3cccc([N+](=O)[O-])c3)o2)cc1	409404937	RKUUBULKDZNFTD-APTWKGOFSA-N	564.598	6.517	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4F)c(Cl)c3)o2)cc1	409405318	SUBOVDANECICEN-AEUUOICLSA-N	572.036	7.402	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccccc1F	1529549302	XFCPNCUFIAUAQQ-JKYKOXDNSA-N	734.442	5.815	50	40	KKGB	
O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc(Br)cc1	1098615	KUDQGDYLTLIUOU-LQKURTRISA-N	532.350	5.278	50	40	KKGB	
Oc1ccc2ccccc2c1/C=N\c1ccc(SSc2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)cc1	1646879	OYYWMKMEJOQZFW-FHNKLNMBSA-N	556.712	9.705	50	40	KKGB	
Cc1ccsc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1	1832039	KMSRMERPSPVGAH-ZMOGYAJESA-N	512.458	5.309	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(SCC(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)n1-c1ccccc1	2097281	WYTMMPCJAYGUGN-XKJRVUDJSA-N	586.461	5.351	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCCC1	6445745	GBKPKVQLURYXHU-TVMVJRKWSA-N	579.078	6.778	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	9200696	ANTQTRKRAHSYGB-DHRITJCHSA-N	502.206	5.863	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9272515	SURRQAOTIPBHHY-FSGOGVSDSA-N	529.666	5.579	50	40	KKGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1[N+](=O)[O-]	13098407	VXRALIPVIJBWNZ-XODNFHPESA-N	505.836	5.491	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)c1ccc(Cl)cc1)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1	35682049	WNBVNRZZSGUQBJ-HSZRJFAPSA-N	507.999	5.929	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](OC)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	36080561	KWWZFFIGJSWIPA-KGNVCMOUSA-N	511.622	5.758	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1	97951640	JJMYGQBLPOHXGV-VWLOTQADSA-N	540.041	5.160	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccncc3)C(C(=O)Nc3ccc(Cl)cc3)=C(C)N2)cc1	97999631	YGUJJOWAYXYXGC-MHZLTWQESA-N	560.079	5.840	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(Br)c(O)c(Br)c1O	98001562	MSZSAXNGPIZOPM-NUGSKGIGSA-N	557.036	5.231	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1	98001725	XKUVYSOGKKCDHJ-LUOAPIJWSA-N	689.980	6.485	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccco1	98048543	HOSWYXDYBLWXPB-HHHXNRCGSA-N	542.661	5.866	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1C	100081337	WTURMTYDHSCMOO-FMFFXOCNSA-N	556.732	6.180	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	100351154	IUPLRSVMULJQHZ-GUBAARJWSA-N	620.775	6.879	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1Br	100378977	LPXIPZFFAFORSZ-STBIYBPSSA-N	566.477	5.098	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1Cl	100851835	PBNKVQXGYFIKHH-NVJOKUIPSA-N	551.286	6.790	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1	100989459	KWRGMXJMBZTUJJ-CKVBZJJFSA-N	549.406	5.422	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1	102807697	XPPLRGAOBDQKKQ-SANMLTNESA-N	573.512	6.770	50	40	KKGB	
CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527838	IJBOBFHYUFMKPT-SCSAIBSYSA-N	602.066	7.600	50	40	KKGB	
COc1ccc(C[C@H](C(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2C)c2ccccc2)cc1	104049808	JYQWGXWLPVDWOS-QRGYCXFASA-N	512.481	5.764	50	40	KKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H](Br)[C@@H](Br)[C@@]21C	123289238	PHKGSDJTFGIGIZ-VOYFCCGNSA-N	590.437	6.913	50	40	KKGB	
CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341708	KLBIOWSCAFTAAY-HNNXBMFYSA-N	806.370	12.526	50	40	KKGB	
FC(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341998	CHXXMFAHVGZKNF-REOHCLBHSA-N	942.051	11.564	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1	163583133	GVMVWLLLIUNLMF-RRDBNTQTSA-N	762.226	5.977	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	164731976	VZQOHEOZNNENTP-YBEGLDIGSA-N	628.091	7.485	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164738706	GPALPMZETSPTDR-CHHVJCJISA-N	693.081	7.466	50	40	KKGB	
CCN1c2cc(C)c(/C=N\NC(=O)c3ccc(I)c(OC)c3)cc2C(C)=CC1(C)C	208522478	OFYQNXHXXUKINK-WGARJPEWSA-N	517.411	5.394	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)ccc1OCc1ccccc1	408537966	IQKKCRLMYNEXRM-YDZHTSKRSA-N	682.796	8.577	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1	408539461	HVRYYAVYXFSPKU-XYGWBWBKSA-N	617.927	8.205	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408543602	PFOCGKOZDPCALY-ODLFYWEKSA-N	586.357	5.609	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(C)cc1	408552441	IMKQKUYOJZCPQR-RGVLZGJSSA-N	609.489	6.545	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1	408568142	ICLSZYOBPMDWEG-KBVAKVRCSA-N	640.568	7.031	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	408569561	OQGPKHWBINGXBP-VFLNYLIXSA-N	640.394	6.937	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408655895	SAYAIYMPQRVISI-ZZFPVUGMSA-N	691.631	6.009	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc2ccccc2c1	408722079	DDXGRUSVOMFVKP-FDAWAROLSA-N	509.403	7.098	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408727066	XZPPQIYKIQEMDF-ODLFYWEKSA-N	522.355	5.799	50	40	KKGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408728925	WHJBFGGDEBNUMC-BIZUNTBRSA-N	576.074	5.733	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)NCc1ccccc1	408746960	IOZFNJQGHIXJDO-JMIUGGIZSA-N	617.237	5.554	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2I)cc1	408747827	UHUROORIAVVEPE-ZDLGFXPLSA-N	699.124	7.091	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408750017	WGIPERSQUTUEOV-UVHMKAGCSA-N	633.291	5.837	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OC	408757479	XSMWAAGMFJSOSG-KPKJPENVSA-N	517.150	5.551	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408757482	XWQVHVBPEWZPIJ-ZHZULCJRSA-N	672.401	7.964	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2Br)cc1	408759894	NNPVBVAYZLZHIP-FABQOPTDSA-N	708.513	7.671	50	40	KKGB	
COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@H]3C#N)c2C)sc2c1CCCC2	408773521	RFDZJTGSGJKRCG-DHIZSTOFSA-N	524.650	5.029	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408788096	IGSSNPXACJSOQT-CXUHLZMHSA-N	573.197	5.950	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccccc3F)cc2Br)cc1	408791809	CUUBCJWHASZUSR-FYJGNVAPSA-N	567.411	6.288	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccc(I)cc1	408793763	GEFLIRHPIBEKEV-XDHOZWIPSA-N	633.280	6.586	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccccc1Cl	408794847	TWCPXUFSABOSFY-VXLYETTFSA-N	607.275	7.430	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1	408795067	JZVXTWRWPBAPNZ-VXLYETTFSA-N	696.254	6.336	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)COc2ccc(Br)cc2)c1Cl	408813167	PTKLSRNHIDDBFT-KBKYJPHKSA-N	555.212	5.798	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)cc1	408816857	WSOCFOZERRHKLM-ONUIUJJFSA-N	509.581	6.044	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1OC	408822899	CKYUMQILUOWSNB-FNTLCPBMSA-N	730.865	5.338	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408827717	GNKDMVFOGVMVLU-ZXTCRCEHSA-N	799.755	6.378	50	40	KKGB	
COC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408829545	PMIIHAUSFCZREM-HNSNBQBZSA-N	622.099	5.962	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408832449	QSQLYXDOPYGEOI-BKATUZMVSA-N	776.337	5.975	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408838749	HUCJNGATQUTXRR-IRWBXMRWSA-N	763.872	9.470	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408840111	BDBVHEWCBOIIBQ-RPPGKUMJSA-N	528.815	6.039	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(-c5ccccc5)n(-c5ccccc5)c4-c4ccccc4)cc3)cs2)cc1	408846850	RNZNIGRXIZMADU-MMFILIDRSA-N	629.789	9.751	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408861196	PGEMTLRWOJNZQJ-KVSWJAHQSA-N	588.429	5.685	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408862678	LGOYYDOXLCMBEB-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c2cc(C)cc(C)c2)cc1OC	408864340	YTZBAAVJLLUDLA-QXUDOOCXSA-N	601.725	5.554	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)c2C)c1	408864608	XHUFARROXQUOSJ-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccccc2Cl)cc1	408875383	IACPLPPILZKVSU-DPNNOFEESA-N	609.079	5.151	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408878033	VRJHJIAQCDQPBZ-ALQBTCKLSA-N	651.141	5.029	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc(C(C)(C)C)c1O	408885564	BZZAHNTWAPUXDW-FABQOPTDSA-N	599.997	8.065	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1cccc2ccccc12	408885956	BVLWAWXLHURMBV-HYARGMPZSA-N	527.964	6.925	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	408897247	RBFRHTHYMWNKHZ-DEDYPNTBSA-N	555.008	5.147	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c2ccccc2)cc1	408906192	DAFOILSZUYNIDI-RUMWWMSVSA-N	557.672	5.318	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCc1ccccc1C	408922089	DYVZUMXITNUPPP-MZJWZYIUSA-N	548.808	5.995	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922758	GKOHEFVIIMOMNY-UVHMKAGCSA-N	649.570	5.036	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)c(OC)c1	408950600	HCAFIBJWYUZEDZ-OQMZEJBMSA-N	821.463	5.760	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)c(OC)c1	408951341	IPIUITBFMUXZSB-RFYYFMECSA-N	777.012	5.651	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc(C(=O)OCC)cc3)c2-c2ccccc2)c(OC)c1	408954358	NLODAMGQNLZPCI-GBLZINCJSA-N	755.828	6.717	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408960998	KVNMDHDCBMXFSM-RPPGKUMJSA-N	528.746	6.100	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl	408974369	YKVMUIKPPAKTMD-FRNDALHASA-N	553.273	5.945	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Br)cc1	408981721	WJKLFSOIONYLRL-VURDCNJBSA-N	612.521	5.597	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1C#N	408983950	OUTALISGDGIMLE-SRZZPIQSSA-N	506.389	6.697	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)C(N)=O	408993874	XRIHJYYMPJMLRL-OQLLNIDSSA-N	535.994	5.654	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1	409043352	QDXGENDJWHJFDJ-QGMBQPNBSA-N	506.216	7.103	50	40	KKGB	
CNc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409048469	OTKJVBLOQLAMIC-MUXKCCDJSA-N	632.243	5.917	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409049044	PWPKOEKOUJIALR-KCSSXMTESA-N	583.511	7.659	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409069122	VDEWNUMMGDVUNI-MHWRWJLKSA-N	521.809	6.269	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1cc([N+](=O)[O-])ccc1O	409140653	LCKMDPMWGAZWNS-AWYXSTPUSA-N	637.446	5.030	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C	409167130	GXKWEBMTRHMXSW-VWJSQJICSA-N	656.521	5.338	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409209264	IKCZNOWRWMITPV-MFOYZWKCSA-N	548.618	7.416	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)CCc5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1	409227675	ZOKBARCHQSHRDW-MIMHETFBSA-N	583.688	5.761	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1	409247465	CIRNATDVBPMYRD-VXLYETTFSA-N	585.252	6.818	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccccc2)cc1	409266115	JSGDFAYGWCAHQA-ZMFRSBBQSA-N	545.231	5.301	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409268564	VWQLBPTWCNJJGL-QDTIIGTASA-N	544.833	5.509	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1cccc(Br)c1	409310190	RWNMVABCVPFNKB-QZTJIDSGSA-N	526.239	5.427	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)ccc1OCc1ccccc1	409310616	BNVKVYDSKLIKLG-KYHGBAKBSA-N	624.329	7.142	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OC	409313871	DNKXXZAFSUBVSW-FDVSRXAVSA-N	592.405	5.579	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OC	409320403	BBCJYFXYMDUHDF-AQLQTECXSA-N	667.782	6.752	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)ccc1OCc1cccc2ccccc12	409358800	LIIYLCWOJMRDES-KBVAKVRCSA-N	532.438	6.142	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(I)c2)c1	409366516	VLBYGEMQBHNCCM-VYYCAZPPSA-N	624.260	5.784	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)Sc1nc2ccccc2s1	409384076	ZMAZNXOFWZUAJQ-UDWIEESQSA-N	608.380	9.210	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(OC)cc3)c(-c3ccccc3Cl)c2c1	409394441	AKTXPBBQASFKNS-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409396903	CTKURQQUMZOCJA-UHFFFAOYSA-N	684.317	7.738	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccco1	409398172	RMPIBGFPXKBUPX-UHFFFAOYSA-N	518.356	6.718	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(Br)cc3)o2)cc1	409403244	MFZXUHPRBSIPCS-AEUUOICLSA-N	677.393	8.134	50	40	KKGB	
CC[C@@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409406440	WUCFIBYRJVALPU-LNUPBTJSSA-N	545.636	6.225	50	40	KKGB	
O=C(OC(=O)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl	885164211	STQZVNNBVMTPTQ-ULAWRXDQSA-N	708.815	7.879	50	40	KKGB	
O=P(O[C@@H](CCl)CBr)(O[C@H](CCl)CBr)O[C@H](CCl)CBr	2162139	PJNLXXROLSYGPE-XHNCKOQMSA-N	564.260	5.151	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)[C@@H]2CCCC=C12	2752128	LXKKKJGDAAOZOH-YKSBVNFPSA-N	503.375	5.761	50	40	KKGB	
Cc1nc(C)c(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1	3268166	RTCWXPATWDLXHF-UHFFFAOYSA-N	583.648	5.182	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccccc1	3668107	KOZMDZPFGQVUDL-RUMWWMSVSA-N	520.430	7.338	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)cc1	6445830	YKFAOLVKJRXJML-RNBKDOAQSA-N	560.857	7.304	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OC	8439804	PKHATXPBMVURRV-WCMJOSRZSA-N	582.000	5.278	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	9311109	IJHLOPMAHQKKGF-DEOSSOPVSA-N	504.999	5.640	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1	9346159	WWHKSUVSIKDJDJ-SAPNQHFASA-N	501.340	5.103	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	26123776	DMOJNWYOHXJQEL-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
CCN(CC)c1ccc(/C=C2/CCC(/C=N/NC(=O)Nc3cccc(Cl)c3)=C2N2CCOCC2)cc1	35384352	LRHBPBBXXRDFST-YIUSUHOJSA-N	508.066	5.757	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccc(Cl)cc1	58985822	HPWRILSJBIFQDS-FQEVSTJZSA-N	515.795	5.330	50	40	KKGB	
CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C(/CNC(=O)c2ccc(Br)cc2)c2ccccc2)C1	97962778	LQXGVKLBVFWUQL-CKGCHSGTSA-N	583.571	5.689	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c(C)n1-c1ccc(Cl)cc1	97980312	CCFJIAYTEKSTNW-VXLYETTFSA-N	541.891	7.647	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Br)cc1	100063401	XITVBCDLQYTIQJ-CCVNUDIWSA-N	580.704	6.536	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl	100127987	FBBCVLQWEQLOFZ-WKULSOCRSA-N	543.476	5.470	50	40	KKGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100195451	LFAORHPBEVPQJJ-IUXPMGMMSA-N	510.466	5.312	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(C)cc2)cc1OC	100304049	HIIFWWAANAKXIG-KCSSXMTESA-N	595.121	5.419	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc(Br)cc1	100852191	FVXWCOKDAOPZCZ-GTWSWNCMSA-N	576.564	6.935	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N\NC(=O)CSc3nnc(SCc4ccccc4Cl)s3)ccc21	100852235	ZYTPDDFEEMWEPW-MUXKCCDJSA-N	552.150	6.854	50	40	KKGB	
N#Cc1ccccc1COc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	101726940	YLDVBCXEWSGRMB-ACXHZZMFSA-N	524.374	6.563	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\Nc2nccc(N/N=C/c3ccc(N(CCCl)CCCl)cc3)n2)cc1	104385395	ASNHZFHNZPSPTK-LFMVBXFPSA-N	596.394	5.937	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cccc([N+](=O)[O-])c1	106161063	CSFKCIJQOWMFSD-CCVNUDIWSA-N	583.236	6.616	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(CN4CCN(c5ccccc5)CC4)cc3)o2)cc1	138299470	LPHNHAQPUBYXGI-STKMKYKTSA-N	536.632	5.209	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)cc(I)c1OCc1cccc2ccccc12	150479097	JGXRXYCWXODUOB-ATZGPIRCSA-N	691.551	6.137	50	40	KKGB	
Cc1cc2c(C(C)C)c(O)c(O)c(/C=N\NC(=O)Cc3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N\NC(=O)Cc3ccccc3)c2c1O	150481346	CMPBVRXRSCQBDI-YPNUXVGASA-N	782.894	8.143	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	408538435	MWDSHWXXQDFAJG-HMMYKYKNSA-N	515.448	6.838	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC	408538994	DDMZRQIZKGGVLN-CJLVFECKSA-N	513.476	7.441	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(I)cc1	408541677	HCIGJSQIYBEUES-NDENLUEZSA-N	568.367	5.513	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408548353	GUPXFDSTIPELQY-DIBXZPPDSA-N	501.611	8.371	50	40	KKGB	
N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408552858	LBWMAVINUJYTAW-WJDWOHSUSA-N	500.769	6.210	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408567049	CMICORKPKCUNGG-SXGWCWSVSA-N	621.191	6.554	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	408569584	OTDJQKDUKHOZMT-IPPBACCNSA-N	617.543	5.743	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408648442	WKUKXTKZOODMSP-HNNXBMFYSA-N	814.909	8.063	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408658123	UXYYXJAZRDUIFH-LGJOHJSGSA-N	794.236	6.139	50	40	KKGB	
O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1	408666551	VCMOJBKFLZPGMH-WRJKVKPCSA-N	617.312	5.657	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1cccc(C)c1	408678373	XTVBFCBFMMOXSU-STBIYBPSSA-N	569.443	5.551	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC	408726566	SYDQLMNTVAATLR-PDGQHHTCSA-N	502.352	5.363	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	408727335	DWRSLTLYFOFJEJ-UXHLAJHPSA-N	563.035	5.716	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccc(I)cc3)o2)c(Cl)c1	408740128	INRSCZWSQMAPLC-VYYCAZPPSA-N	543.792	6.376	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)c2-c2ccccc2)cc1	408744819	HMJUUGSQKODRAP-QUPMIFSKSA-N	567.645	7.542	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)ccc1I	408747487	OQSAZMZIRUGBIB-KKMKTNMSSA-N	629.676	6.067	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cccc(Br)c1	408748925	JCYCJMVWXDIPAE-BRJLIKDPSA-N	567.075	6.317	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OCc1ccccc1	408756207	YDBHGWCECZWDMN-OJANRJRPSA-N	649.551	5.031	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1	408766401	PZMVXHKFSNJMOM-QRGARVHWSA-N	572.525	5.180	50	40	KKGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1	408766914	WVVTZDVXENTTIG-YZSQISJMSA-N	504.567	6.306	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2C)ccc1I	408783544	OGFVQLMTUAWXOA-JVWAILMASA-N	522.390	5.562	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1Cl	408787775	GBXUEQWZHUIYFT-LICLKQGHSA-N	546.646	6.990	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1	408789241	OSSCPUDHKNVZMA-UDWIEESQSA-N	616.839	6.255	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1C	408792425	BKEFZJIMKQAWKT-DJKKODMXSA-N	652.245	6.776	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408793569	PMYGQQRCYAWMSM-NTUHNPAUSA-N	527.145	5.164	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408798803	XAHMFJCGIYPSMY-MFKUBSTISA-N	541.003	6.803	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1Cl	408810468	KRUUAHFZKLFDFP-MTJSOVHGSA-N	511.405	6.203	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(I)cc3)cc2Br)cc1	408812489	OVXWKQNASATYGH-JAIQZWGSSA-N	633.280	5.873	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2ccccc2o1	408813030	CWNGAYINEULVGL-ZRGSRPPYSA-N	573.197	6.209	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(C(=O)O)cc1	408814038	PRBNWYJHJNECMW-ODLFYWEKSA-N	539.357	5.810	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1	408818733	YTBWRMUFJINIEB-KEIPNQJHSA-N	521.016	6.458	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCc1ccc(F)cc1	408821962	ARWZREFYPOQRTB-GIJQJNRQSA-N	545.394	6.673	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408829277	NMQQWHCTFBYIRK-CLHYIUPASA-N	691.593	7.167	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccc(C)c(C)c2)cc1	408833269	XHLWSOIEJJPSON-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408836689	UJLRPLCCCUECGX-REZTVBANSA-N	596.294	7.841	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408836909	WWYFWYFYYXHOMC-ZMOGYAJESA-N	652.372	8.777	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408838200	CSZWWCNOFYUFIV-UVHMKAGCSA-N	588.858	6.584	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC#N	408838346	DPZHXLLLIHILRY-IBBHUPRXSA-N	610.921	7.035	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408843436	MRPTWLITJSMBKE-RWPZCVJISA-N	582.467	6.629	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408843909	OBCUFHHTSPZAOT-ZHSUKTGHSA-N	568.024	7.255	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)cc2)cc1	408848008	WMYHNGKSVNIQOQ-FDAWAROLSA-N	527.964	5.584	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1	408851923	BQDIHMZZAOBYCA-DANHRZQXSA-N	675.986	8.370	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cc2ccccc2o1	408853308	QZETYJQGWJRHTH-PPDIBHTLSA-N	656.645	6.638	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408862211	XPYVLXBYZDFPQN-FMFFXOCNSA-N	608.116	5.672	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1	408864978	BKDLRBXYZSFONO-JBASAIQMSA-N	526.102	6.012	50	40	KKGB	
COc1c(I)cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1I	408872670	NVMFFKYWLBRYNV-HCBMXOAHSA-N	719.126	5.416	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408880907	JJCFFEDLYWCHPA-DPWJMMOYSA-N	760.330	7.453	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2cccc3ccccc23)cc1	408884244	YCQYRTGXFICHGV-CJLVFECKSA-N	569.411	6.544	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(I)c1	408890796	ZKAMDGDQXSLYGV-LDADJPATSA-N	514.750	6.069	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc(C(C)(C)C)c1O	408898911	YJBIQBJCPODLRJ-VTNSRFBWSA-N	641.519	7.441	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2I)cc1	408905312	XBCJRXYOLJFTJU-BCHBDCPOSA-N	711.206	5.591	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Cl)cc1	408950862	SNOSONOKHRHZOP-WJOKGBTCSA-N	633.170	5.533	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)c(OC)c1	408954838	NPPXCIBHJDXCLX-OQMZEJBMSA-N	713.557	5.295	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1c(C)cc(C)cc1C	408971487	GHDXKCKQFVVJKG-JGMKRYQSSA-N	628.597	6.955	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1	408980685	SHKOPHVWLPVGDN-DFUFVCBUSA-N	521.617	5.676	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408986504	MJTMTALWKGAFKY-WJDWOHSUSA-N	501.848	6.913	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)OCc1ccccc1	408992234	QXYJPSFKHOJSLU-OWVDDXPLSA-N	601.670	5.067	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cc2cc(Br)cc(I)c2o1	409011405	NFAYYMMPOSBJGR-AERZKKPOSA-N	553.965	5.576	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12	409018320	UMXHLCUPYDHVHP-YXIFZSOPSA-N	636.576	7.183	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2I)c1	409038992	QFBJLFKAVXONFZ-HQDYHJHZSA-N	723.352	7.762	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	409045177	FNTGPVDKVHGGBS-GIJQJNRQSA-N	571.225	6.553	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCc1ccccc1Cl	409063683	DNKRTAQOAZUQQW-PCLIKHOPSA-N	501.026	7.209	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409066764	CMKSMKKTVBQTBX-SFQUDFHCSA-N	591.867	5.823	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409068849	JJYYXNDOFHLXEN-UDWIEESQSA-N	509.389	6.561	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409077319	DZCJLVVASXCDBW-SFQUDFHCSA-N	527.455	6.359	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409113465	AYWUKIHCPLPNLP-ALQBTCKLSA-N	634.755	5.091	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	409121571	WUKZGGHFFJWJBA-UZWMFBFFSA-N	557.672	5.313	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Br)c1OCc1ccc(Cl)cc1Cl	409124949	CMTNRRRIPUMFEB-HXUWFJFHSA-N	550.240	5.983	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1	409218872	HZNJVERHMCZGJR-MWLSYYOVSA-N	507.974	5.316	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409223644	HKIOGFOERLRDTG-UHFFFAOYSA-N	606.860	6.347	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409224150	IXZMHPFEVLJEQK-YBFXNURJSA-N	579.407	5.628	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)cc1	409225568	PSZDTQRQGXZUCB-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1	409313881	JIBQAVRRXJQYIQ-OALUTQOASA-N	556.265	5.436	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1ccc2ccccc2c1	409372771	JTIPIMULPKDRSC-ALQBTCKLSA-N	539.031	7.397	50	40	KKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c1	409385323	JKHITOUPLJWZQD-OKCVXOCRSA-N	514.651	5.904	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396889	CMJQIBGUUVRRKP-UHFFFAOYSA-N	708.896	7.383	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl	409396894	CPFOZFSCJDGXPB-UHFFFAOYSA-N	608.481	8.287	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Br)cccc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409397379	JFRATAQHLLNTIV-UHFFFAOYSA-N	656.489	6.523	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409398558	UMFNAAGOJHCQBG-UHFFFAOYSA-N	707.908	7.203	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409398708	VHVVXPCMUWCGBX-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)c1	409398890	WFBKSRPYKHDQRU-UHFFFAOYSA-N	542.422	7.433	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3cccc(F)c3)o2)cc1	409402006	IVTMBOKRCSXOKI-AEUUOICLSA-N	616.487	7.511	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccccc1F	409402791	LALQDQFUESMSPH-KOKCXWAISA-N	616.089	7.800	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3cccc(F)c3)o2)cc1	409403346	MJEWLVDFJLRDER-QMRORBIVSA-N	617.033	7.310	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4C#N)c(Cl)c3)o2)cc1	409407383	ZNVYDOKZQQUYCY-WBIBEUCMSA-N	579.056	7.134	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Sc4ccc(Cl)cc4)cc3)o2)cc1	409410652	ZEQGRKSJCAXBRX-APTWKGOFSA-N	556.087	7.835	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCc1cccc2ccccc12	1529548875	OVFWANMVJYXJQF-GCUJPOOZSA-N	764.642	5.917	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1	1790516	FXZQDSNSAJZSRG-MZOFLMDJSA-N	522.457	5.779	50	40	KKGB	
Cc1ccccc1-n1c(NNC(=O)c2ccccc2Br)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2	1823504	JEEHTGJMFYAYEI-UHFFFAOYSA-N	569.503	6.485	50	40	KKGB	
CC(C)(C)c1cc(Sc2c(F)c(F)nc(NNC(=O)Nc3ccccc3C(F)(F)F)c2F)cc(C(C)(C)C)c1O	3771016	LCNGDWJHGMEVNS-UHFFFAOYSA-N	586.602	8.118	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	4196304	UGTDAGQXIJWTDT-VULFUBBASA-N	532.232	5.492	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)[C@@H]1c1cccs1	6137123	SFMARMGOTNNZJD-RUZDIDTESA-N	580.529	6.470	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccco1	12250138	LIHDZBASFSJXPH-MHZLTWQESA-N	526.662	6.165	50	40	KKGB	
N#C/C(=C\c1ccco1)c1nc(-c2cc3cc(Br)cc(Br)c3oc2=O)cs1	12496263	UEYASIGUVLCTND-VZUCSPMQSA-N	504.159	6.099	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(OCC)cc1	20130045	LPHUGJRQORJKEK-AREMUKBSSA-N	503.624	5.191	50	40	KKGB	
CCOc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C3/CCCC[C@@H]3C)n2-c2ccccc2)cc1	33751679	ULZCYFSRIHRZKQ-QYARZWOISA-N	506.676	5.441	50	40	KKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	97983730	WGGKTMBSNOXXPZ-UHFFFAOYSA-N	578.641	7.721	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3c(C)cccc3C)=C(C)N2)c1	98048911	BAYNKAXSLHJJIG-AREMUKBSSA-N	528.634	5.612	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccc(I)cc1	100063702	QWDAQDZRMVCGEU-JFLMPSFJSA-N	616.308	5.718	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	100129917	DMVSUOWWAFSIOB-RGXNXFOYSA-N	607.574	5.549	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)Cc2ccc(Cl)cc2Cl)cc1	100139449	DMDXXJPCWBIXCJ-BJUCDSOZSA-N	627.550	5.992	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C(F)(F)F)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	100852574	FVOQBZWALLJNPE-AQLQTECXSA-N	556.635	5.896	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nnc2-c2ccncc2)cc1	100859765	OMPOOHAECASPKZ-BIZUNTBRSA-N	534.645	5.459	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	100925332	HMQFYYBCGPIYLG-UZEPBSNMSA-N	546.490	5.543	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1	100990871	PFUDHNQDTVVLHR-YMGIJWJESA-N	536.426	5.331	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	103890315	GORPQQGFUHIRML-YBEGLDIGSA-N	515.227	7.849	50	40	KKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]([C@@H]4C[C@H]3[C@H](Br)[C@@H]4Br)[C@@]1(Cl)C2(Cl)Cl	104255799	SUSUGGDVAULJNM-YUCBAHNBSA-N	524.722	6.241	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccc(Cl)cc1Cl	104953734	VUCMWMKGIVZYHG-CXUHLZMHSA-N	522.215	7.433	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	109639732	CANNXQOUOAEASR-WOJGMQOQSA-N	536.426	6.525	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795418	VTMMDMXVPZHRTC-HUUCEWRRSA-N	900.249	12.601	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408536946	BREDDSMIBDVBKV-IYVXLEGESA-N	733.290	9.845	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554109	ZHTCFHCGHPBIEJ-QDTIIGTASA-N	612.251	5.317	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408569179	MEHNHCIYTHTOHP-ATZGPIRCSA-N	617.620	7.707	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12	408569240	MMIVFMMAHZHCQL-WKULSOCRSA-N	531.659	5.396	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1	408569335	NGPTYFBDAJGRSR-JFLMPSFJSA-N	543.508	6.036	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3c(F)cccc3Cl)CC2=O)cc1	408610823	UOMWAPIUXDAEER-INIZCTEOSA-N	532.399	5.606	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1	408642591	FBLNDHYQFVIDEO-HYBUGGRVSA-N	541.387	5.692	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)cc1	408642813	NWYGHVHXMDIYOI-YCAMKHIRSA-N	787.310	6.232	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408649956	LUYQOOZNHQPDIQ-PHCLWXFWSA-N	643.159	5.400	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2I)cc1	408747804	TZWJZLNUVKIIRP-NHDPSOOVSA-N	634.255	6.007	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccccc1Cl	408753152	IEFPGWJRDBHNDD-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12	408759786	LNGZTFVCKNRJPD-ZLWVYGHNSA-N	713.638	6.574	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408783301	NXKKUVDOGSUZIF-YVLHZVERSA-N	567.352	6.311	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1	408791805	CTICQNPGAGDYIA-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408792297	ANKMWMCGXDHZTC-CAOOACKPSA-N	580.693	7.851	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2c(C)ccc3ccccc23)c1	408802008	XTSLKRARFWCTRC-BUVRLJJBSA-N	525.446	7.652	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)c1cc2ccccc2o1	408812624	NMXLVJQLPCTWMN-ZMFRSBBQSA-N	514.294	5.519	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1	408815292	IZIKCERFTLUNIW-JAIQZWGSSA-N	525.374	5.408	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1Cl	408820452	WFFXSKQFHFJEJX-XYOKQWHBSA-N	539.202	7.359	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408820634	YZGRIIDQQOLLJN-AMVVHIIESA-N	513.808	6.908	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Br)cc4)cc3)cc2Cl)cc1	408822354	LTYPIKXOOKFNTH-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408828044	VPBSWQLNCQZZRN-JCMHNJIXSA-N	580.493	6.832	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c(OC)cc1Cl	408830335	PDVWPFGMLIJREG-RQZCQDPDSA-N	572.799	6.153	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408831404	ZNKFBYRAIZWMLF-ATZGPIRCSA-N	630.550	5.996	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c2ccc(C)c(Cl)c2)cc1	408842103	OBQQLSKPJJIAIS-RWPZCVJISA-N	577.932	5.131	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408844692	PBCQSIGUVYTSLJ-RVDKCFQWSA-N	747.229	8.465	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1C	408846140	QTJXTBSFAOWPJL-KPGMTVGESA-N	585.089	7.595	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4ccc(I)cc4)cc3)cs2)cc1	408849144	YXSQTZIHZNHION-DPNNOFEESA-N	644.538	7.810	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408856459	CCTUARSWNUGVNF-KULFSUQXSA-N	650.506	7.245	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3CC)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408864896	AFRJBKWCJHADGB-UZWMFBFFSA-N	573.671	5.340	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(Cc2cc(C)cc(C)c2)c(OC)c1	408865540	CUGAJGZIMKTZGZ-YDZHTSKRSA-N	550.440	6.616	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Br)c1)C(=O)Nc1ccc(O)cc1	408867171	JVJXRHUAMVKZCC-WOJGMQOQSA-N	512.201	6.054	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OC(=O)c1cccc2ccccc12	408886087	DDQZVOYFXDTEOJ-RCCKNPSSSA-N	588.401	6.608	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408889069	DFSBAEFPMMPYQU-MZJWZYIUSA-N	581.872	5.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OS(=O)(=O)c1ccccc1	408894728	IZQPTGNTLYNFIS-LDADJPATSA-N	622.868	5.965	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(C)cc2)c(Cl)c1	408898999	YYLJVVQEBKLPHO-LGJNPRDNSA-N	507.395	5.150	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1cccc2ccccc12	408900890	YRPFLBFVXTYSBM-HNSNBQBZSA-N	509.005	7.388	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408943297	HMGLJNBMPWJIIF-MHZLTWQESA-N	761.449	5.584	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)NCCc1c[nH]c2ccccc12	408955182	TWCUYPSXCHOQSZ-QQXSKIMKSA-N	550.456	6.928	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C#N)cc3)c(OCC)c2)c(OC)c1	408958007	XBLDINUZUBQRDI-OMWOMDGGSA-N	720.577	5.027	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	408964575	VHLQXWGHANRMJJ-IUSCKDQHSA-N	609.466	6.115	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408971841	QYDJCOXJHYSEIY-AYQZCKDZSA-N	612.598	6.939	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1	408997201	LWLZMCHFVYXAKS-KCSSXMTESA-N	586.988	5.882	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408999351	CLPDELNLQBWXKR-ALQBTCKLSA-N	642.621	5.255	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1	408999934	DFWWZECENJXDJA-MHDJOFBISA-N	641.305	7.000	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c1	409005389	ZSCNZQMXQLILHB-VTNSRFBWSA-N	590.861	6.646	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cccc(C)c2C)cc1	409024535	CXZAGQAOARMXBO-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OC(C)C	409024698	URFYINQLARBYAL-RMORIDSASA-N	512.731	5.251	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409030456	DIMCCDBQLGIUCE-AABVJFSESA-N	607.950	8.857	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409040949	VGBHZUNKVHHDBD-ATZGPIRCSA-N	617.956	8.313	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	409059789	XJYOMSWHDNNHTK-KCSSXMTESA-N	582.509	5.914	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Br)cc1	409064311	CAWPTMCGRIXGKR-KKMKTNMSSA-N	573.271	5.236	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	409084040	MBJAQXFLIISJIR-GZTJUZNOSA-N	541.438	5.747	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1	409137374	WDCVMGYUIOYPRO-DEOSSOPVSA-N	508.416	5.157	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C	409155929	SAQUOWQSJUKGAM-IBBHUPRXSA-N	595.494	5.188	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1	409218176	DEPBJDLKHTUHMB-UHFFFAOYSA-N	651.311	6.456	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccccc3)c2)cc1	409226551	URYZQCCWAGKZPG-DHQWNPCTSA-N	503.558	5.630	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(I)cc1	409238185	LYWAVZDRKKDLLY-ZDLGFXPLSA-N	718.251	7.438	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1	409255995	NCHFNKIPNQSNPJ-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1	409258734	ZRZXJDWMXPQZGO-VHFSBPNMSA-N	709.435	7.588	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1OC	409301450	FTLRUURMLZUFBV-MBTHVWNTSA-N	574.269	6.128	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc(Cl)cc1Cl	409318154	UYMMZDKIWQGFPF-HQDYHJHZSA-N	579.480	7.323	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409335827	YTNBMTKVVORVIP-PMACEKPBSA-N	647.762	5.918	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1	409372842	NFJXOTMUHXNUQT-ZRGSRPPYSA-N	659.193	5.215	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)[nH]c12	409394568	CGKNPWDDSULAEB-UHFFFAOYSA-N	711.794	8.014	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)cc1OCC	409395376	MWEGWFNPKCHZHS-UHFFFAOYSA-N	765.455	8.158	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccco1	409397054	FQLRWJMIOFDZRP-UHFFFAOYSA-N	517.463	6.430	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397733	NIHAIVWCANTFFA-UHFFFAOYSA-N	646.071	7.035	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398148	REPSEWJPTYBWQX-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409398245	RXGVYAAYGSPYMG-UHFFFAOYSA-N	672.134	7.295	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409399229	YNBAZUSCUJPEHH-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(C)c2)c(OC)c1	1529547071	INVRLOJQRYMWOF-KZMIEDSXSA-N	681.609	5.230	50	40	KKGB	
CCOc1c(Br)cc(/N=C/c2ccc(N(CCCl)CCCl)c(OC)c2)cc1Br	1705633	MTOHVMWFHCHQBK-DHRITJCHSA-N	553.122	6.654	50	40	KKGB	
CC(=O)n1cc([C@H](C[N+](=O)[O-])SS[C@@H](C[N+](=O)[O-])c2cn(C(C)=O)c3ccccc23)c2ccccc21	1854483	ZEWNRSGIQZFDRO-ZEQRLZLVSA-N	526.596	5.633	50	40	KKGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1	2402447	CFWQBGRHNCWOSP-KGENOOAVSA-N	536.407	5.205	50	40	KKGB	
N#CC1=C(SCCCCSC2=C(C#N)C3(CCCCC3)[C@H](C#N)C(=O)N2)NC(=O)[C@@H](C#N)C12CCCCC2	4257691	BCVHNKKPQKXEJY-WOJBJXKFSA-N	548.738	5.144	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1	6146422	KHHOLSPZXBTLPL-RDRPBHBLSA-N	557.657	5.174	50	40	KKGB	
CCCOc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)cc2)c1	6167566	FPPGUHXUXSHKHT-GLYLYQHFSA-N	591.730	6.008	50	40	KKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)cc1	13880657	VADXPGIEGQUYLR-SSCOZNRHSA-N	539.724	6.080	50	40	KKGB	
Cc1c(Nc2ccc(/C=C(\C#N)S(=O)(=O)c3ccc(Br)cc3)cc2)c(=O)n(-c2ccccc2)n1C	29503281	OXRJQDQTCKEQHU-LFVJCYFKSA-N	549.450	5.329	50	40	KKGB	
COc1cc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc(Br)c1O	98048458	IFDBEFBLVAXBNV-AWEZNQCLSA-N	520.836	5.345	50	40	KKGB	
COc1ccc(Cl)cc1N1CSC2=C(C#N)[C@@H](c3ccc(OCc4ccc(Cl)cc4)cc3)CC(=O)N2C1	98048461	IVWBQYHFYPGUMT-HSZRJFAPSA-N	552.483	6.800	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1C	100124111	FSHVGISMZVCJKG-FABQOPTDSA-N	582.648	6.075	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)o2)cc1	100217423	BTKCSJGODMJUKX-QNGOZBTKSA-N	598.483	6.971	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1	100828189	PMZPNAMFKZDPFM-CKVBZJJFSA-N	522.399	5.653	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)c1nc2ccccc2[nH]1	101138252	IHMQPGRIBBZLJL-NKFKGCMQSA-N	534.645	5.654	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1	102718603	HFRZULPLWAJCGY-NDEPHWFRSA-N	559.091	6.445	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])N1	102810185	URGZAVQXEANHAY-SANMLTNESA-N	594.480	6.608	50	40	KKGB	
N#C/C(C(=O)NCCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1	150449339	UDCSFPAQSMMOKC-IMRKDSNVSA-N	760.848	5.750	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408569475	OBCRWAGXCPJCCB-PXNMLYILSA-N	523.318	6.024	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1C#N)c1nc2ccc(F)cc2[nH]1	408570384	ULCXFXMCXTXKME-IDUWFGFVSA-N	646.201	6.426	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408647286	UYWGBJKCSJFZSL-DZVNEVJTSA-N	570.300	6.306	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408671413	KYEPZKRZKIWPGU-YRPNKDGESA-N	562.302	5.490	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(N2CCCC2)cc1	408677511	RELHMUBEYIJKMI-AMVVHIIESA-N	626.176	7.462	50	40	KKGB	
C[Si](C)(O[Si](C)(C)c1ccc(C(=O)Oc2cccc(Br)c2)cc1)c1ccc(C(=O)Oc2cccc(Br)c2)cc1	408720461	PTNMHOFAGRJWOU-UHFFFAOYSA-N	684.529	7.191	50	40	KKGB	
COc1c(I)cc(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1I	408739371	ZSGSVMIEMAMMMP-JFFJSXPNSA-N	695.339	5.327	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccccc1	408741599	KDMUKQAEAJDOKG-MFOYZWKCSA-N	530.191	6.475	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)c1	408745517	NDSYMPYXNBZPSA-OYKKKHCWSA-N	527.418	7.126	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)ccc1I	408747379	NCGQFJNSIPCSBJ-FJEPWZHXSA-N	692.291	6.409	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1	408763719	QLALWOWMGGOMKW-UYRXBGFRSA-N	511.397	5.379	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1	408780432	YHHKXVZWBHNEQO-RHANQZHGSA-N	502.412	6.053	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408781146	AEJQVNRIWXLWBQ-JCMHNJIXSA-N	538.475	7.363	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1	408813041	DIRLFDYITIAHBC-NDENLUEZSA-N	522.355	5.168	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408823846	GOGLKZHMTBBNIB-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408827501	KBWDIAQRNIIXJJ-UZWMFBFFSA-N	606.060	5.236	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc2ccccc2c1	408837915	AQOPBEBFIVBMKE-BBUXEPKYSA-N	633.173	9.102	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(I)cc1	408840031	AJVVDGXBJRIHSO-HBHSWBPBSA-N	759.386	7.943	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408842087	ILTWRPUZCDTXIA-MWBNBJEGSA-N	642.137	8.165	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408843735	TWBFHVWLXUWJOQ-JGRMKTMXSA-N	584.698	5.382	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4cccc(C)c4)c3C)sc3c2CCCC3)cc1	408844194	CNGIOJJILRSYRF-CAQPMQTCSA-N	539.705	7.059	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1	408851665	LXYZJXQWJBULPS-IDWIKUEFSA-N	557.723	7.436	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)c(Br)cc1OCc1ccc(Br)cc1	408853306	QYWULNQQBZKVRB-MZJWZYIUSA-N	562.258	5.962	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1C#N	408855240	DSZBRLJETZEIGH-CPDSRJINSA-N	597.263	6.571	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3cccc4ccccc34)c2C)cc1	408858951	UVQYVLWQXLCPNK-GMEAVFFOSA-N	522.652	7.777	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408887735	STJCXSMRFFKRMY-MHWRWJLKSA-N	566.260	6.378	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(I)c1OCc1ccccc1	408896990	VELPUUPNKNSDHL-MZJWZYIUSA-N	587.439	5.653	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408906218	BAVZNPFLZOVNLR-ZLZXEHKWSA-N	574.475	5.989	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1Br	408971003	CJUKGUWSVLNBTL-PXGAOIJESA-N	595.332	5.145	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1	408973624	ZQLLQIYYSDJSER-GDRFDKMFSA-N	604.534	6.526	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	408973807	VHXGYJJCJXEFIE-MBPMXQBASA-N	747.901	8.032	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408982567	HXCLSBKFFVYGBK-IUXPMGMMSA-N	627.693	7.693	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408985127	VOSOMOCAXKHPHC-IUXPMGMMSA-N	536.242	7.742	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1Cl	408992198	SIYZGDBXUNIVLV-IUXPMGMMSA-N	550.667	7.842	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2cccc3ccccc23)c1	409015292	ZIJQMZICNULYNW-DIVPGCLDSA-N	554.602	6.750	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	409019714	WTWZIDBUJIHZMD-VORQBZLESA-N	574.480	6.160	50	40	KKGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc1ccc(Cl)cc1Cl	409019901	XWHOQJNBPCSSEV-QHFGQAMDSA-N	520.457	5.398	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1I	409021052	XHTQSXXTEUOCMF-LSFURLLWSA-N	639.025	5.567	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc2ccccc2c1	409036731	LVUJSGJAZYXUIG-DBSPGSINSA-N	572.064	8.060	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccc(OCc5ccc(F)cc5)c4)cc3)cs2)cc1	409038926	WDGROENRVTWAHR-DPNNOFEESA-N	536.632	7.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccc(Br)cc1	409043050	ZCLOHUVOJFPHQA-KVAAJVFYSA-N	739.433	8.272	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1	409048603	SPURMZJTUSKOJD-FYJGNVAPSA-N	503.986	5.919	50	40	KKGB	
Cc1cccc2c(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c(C)n(Cc3ccc(Cl)cc3)c12	409048956	XTLAXLPOMMRUDQ-QJOVZPHJSA-N	543.070	7.939	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)c1C	409072401	CADPDZVDEHUINI-WOJGMQOQSA-N	590.293	6.142	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409074272	LIKSIQKZNGPRDR-VCHYOVAHSA-N	500.860	6.182	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079242	IZXFPQOBEWHSCN-RIYZIHGNSA-N	580.288	6.862	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc(I)c(O)c1	409187963	WAAJBNIBUQTQJO-OPEKNORGSA-N	630.074	5.865	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc(C)c1	409211789	KDCRZYHVEIYWDF-JAIQZWGSSA-N	526.330	6.160	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409222876	XZJKMDLHHRJOSL-PDGQHHTCSA-N	548.302	6.435	50	40	KKGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cccc2[N+](=O)[O-])ccc1OC(C)=O	409224952	MTHPKINXDXXIKQ-FZPRHHONSA-N	630.997	5.418	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409225303	OCVWFTPPGBBCPU-WOJGMQOQSA-N	554.828	5.983	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409225577	RDZDYRSKZQJTJA-LRKUVDORSA-N	681.421	7.011	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409227319	ZIEKHAIXFKGPLZ-UHFFFAOYSA-N	586.988	5.882	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409231442	JCBUBQKEHSQBOJ-PPDIBHTLSA-N	648.641	5.960	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	409257713	UNJLZFFFTNPRJE-FUSDPXDGSA-N	526.818	5.185	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)ccc1OCc1ccccc1	409311544	AJSXYESZRYHIQL-FZKWRIDDSA-N	687.996	7.011	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409318601	YXARBMVFAPZBHM-CPDSRJINSA-N	560.434	5.499	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1OC	409325426	YJXNWNGGHNEQPM-PPDIBHTLSA-N	566.221	5.711	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	409352480	CRNNZCFNSPUDGF-KKMKTNMSSA-N	596.117	6.115	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(Sc3nc(-c4ccccc4)cc(-c4ccccc4)n3)c([N+](=O)[O-])c2)cc1	409371513	GSUFQAURKNRPAZ-UCMJSZAQSA-N	588.649	6.592	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	409372700	GXQKYXKENPGHEY-ZRGSRPPYSA-N	673.099	5.996	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccccc1	409373216	FXQMCDHENNJNHX-XDHOZWIPSA-N	521.358	6.209	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409384348	BLMBQHMCJFJTRP-AMVVHIIESA-N	570.454	7.196	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409385317	JJOYFQTVINPTGC-WYMPLXKRSA-N	537.466	5.191	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394947	HXXBLWKEWYVINM-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccccc1	409396360	XYOFHNJYJMIWGU-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccc(C(=O)O)cc5)cc4)c3C)o2)cc1	409399924	AHJNGVQAACUUIM-BOABNOFISA-N	656.739	7.715	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)o2)cc1	409400176	BVYSTIJBPYKQNJ-QJOVZPHJSA-N	585.664	6.623	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1cccc(C)c1	409403218	ZHKPKUITYHUWJY-UHFFFAOYSA-N	563.654	6.926	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409405274	SNTOMQBYUGRKTL-LCYCTPALSA-N	687.385	6.885	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc2c(c1)OCO2	409405441	UBJHUEKIKVJOAL-UHFFFAOYSA-N	672.532	7.109	50	40	KKGB	
O=C(N/N=C/c1cc(OCc2ccccc2)ccc1Br)c1ccccc1OCc1ccccc1	2100684	GIFBPOSEOHNERP-UXHLAJHPSA-N	515.407	6.371	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1c(F)cccc1Cl	2177604	HZVCXEYBDGGZEG-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
Cc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@@]2(C)c2ccccc2)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	2196215	BMPGAVJJJFFABI-AJQTZOPKSA-N	507.634	5.435	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196257	RFGKBFJIANZRTR-LZYBPNLTSA-N	611.117	7.652	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	9265150	CJFBBXINNVFRKV-AQTBWJFISA-N	505.361	6.759	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2nc(-c3ccccc3)cs2)C1	9591637	PZLYQMQMQMMNDZ-PXNSSMCTSA-N	503.407	5.240	50	40	KKGB	
CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4c(s3)CCCC4)ccc21	12560022	REJNRPHHDNLSHV-PTGBLXJZSA-N	525.681	8.067	50	40	KKGB	
COc1cc2c(cc1Br)C(=O)C(Br)(Br)CC[C@H]2Br	17109540	GZRBFYVBIHGNSE-MRVPVSSYSA-N	505.826	5.356	50	40	KKGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)CSCc2ccccc2Cl)c1C	20243655	LKZXIHNLCVLXBW-RPPGKUMJSA-N	504.881	6.202	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	58915091	PVDWKQWBILGLHI-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
N#C/C(=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1	97946592	QUCRWJZGMKVSEE-ZXVVBBHZSA-N	567.070	5.893	50	40	KKGB	
CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(C(F)(F)F)c1	97965827	KNAYZNTYGPJMCP-DEDYPNTBSA-N	542.579	7.192	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	98045834	UXGJTFGLLFCAEN-RDYICOSNSA-N	641.495	5.332	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)c2C)c1	100119294	ZZHRQRVRSBKWQG-FDAWAROLSA-N	549.096	5.786	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC)cc3OC)nnc2-c2ccc(Cl)cc2)cc1	100242166	ZZWMAGBBXKPGGY-OKCVXOCRSA-N	582.082	5.255	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	100252952	VOFRTACVAPQOPC-UVHMKAGCSA-N	519.311	5.318	50	40	KKGB	
Br[C@@H](c1ccccc1[C@@H](Br)[C@@H](Br)c1ccccc1)[C@H](Br)c1ccccc1	101020828	YSPIMIGNBZAYHT-ZDNVTZCJSA-N	602.002	8.831	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	102808470	FUQFTKPBHJOVIO-MUUNZHRXSA-N	543.092	6.609	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(I)cc1	103883332	RJPXLXMKESRGMS-QJOMJCCJSA-N	579.438	5.135	50	40	KKGB	
CCOC(=O)[C@H](NNc1ccccc1)[C@@H](c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104106182	OTIHHGPAHAOXBD-KKLWWLSJSA-N	546.651	6.003	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Br)cc1	105226807	FVCUJGRUUWCOTC-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cccc([N+](=O)[O-])c1	107754749	KMSABOVNNFEXHV-OPEKNORGSA-N	567.621	6.116	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	150663202	KTJKNLPHVWWRTB-KYHGBAKBSA-N	631.297	6.563	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795255	CUJYVGKVAYEFKL-SYDPRGILSA-N	759.979	8.700	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795357	ILXPTVZBCDZANB-PHIMTYICSA-N	844.141	11.041	50	40	KKGB	
COc1cc(COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2)ccc1OCc1ccccc1	408538313	KWACOXPEKZGLAU-FZKWRIDDSA-N	563.679	7.049	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554119	ZPKYFVAPCBMLBF-RQZCQDPDSA-N	627.693	7.732	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408598551	DEJYPDYTDMGBNH-DHRITJCHSA-N	543.330	5.007	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1)c1nc2ccccc2[nH]1	408604446	JFZSNQKAHRGRSF-HMMYKYKNSA-N	513.985	5.135	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2c(Cl)cccc2Cl)cc1	408606994	BIZBLIQEIWITGR-OKCVXOCRSA-N	544.435	5.849	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1	408609057	JGMJOCWTUZRJIG-VFLNYLIXSA-N	505.880	5.035	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408672558	NSXQCOLTQUUNMV-YVSFHVDLSA-N	554.666	5.327	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1	408745716	VBJUXFDVRPRXDS-QRVIBDJDSA-N	531.837	7.689	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746349	RZTCXRQKIIALBO-SXGWCWSVSA-N	583.640	7.376	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cccc(I)c1	408749769	TZGYHCWDHPGJAG-BRJLIKDPSA-N	614.075	6.159	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(I)c1	408753140	IAXCDJUWUHMTFF-RQZCQDPDSA-N	638.097	6.941	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCC	408758059	GFKRPYOSCOYOIG-RIYZIHGNSA-N	541.183	5.397	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408761572	GDDRQVATABIYTI-WQRHYEAKSA-N	539.260	7.613	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793181	DIGNCXAZXZDECU-AFUMVMLFSA-N	643.335	7.787	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408803392	OHMQDGAOVJPQFK-VCHYOVAHSA-N	546.248	7.279	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccccc1F	408814014	GSTIVSUDDRGRFV-BOPFTXTBSA-N	532.740	6.208	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408816735	UMKNLDWNJMRZFD-IDWIKUEFSA-N	609.082	7.756	50	40	KKGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1	408834433	UWQYEGCTBANZMO-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccccc5C#N)c(I)c4)cc3)cs2)cc1	408841230	DLMRXFAPEHSAKP-KULFSUQXSA-N	748.444	8.444	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408844354	NPWOBGRANJGZSO-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	408846557	OAODCCLZGXLFFB-MNBJERMJSA-N	524.964	7.038	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408855224	DLNVYIDAZLITPO-DBSPGSINSA-N	598.530	8.501	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Br)cc1	408856406	JURMQSFESUYYQU-IPHFVPNQSA-N	594.509	7.567	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(Cl)cc2)cc1	408856969	IUGMNKHWKVFYSX-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1	408858216	NPLBUFFVOHJIRU-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1	408858400	RXSQTXPTAIYUMI-WBIBEUCMSA-N	661.369	8.460	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408858755	LQTLGTFUXALKHN-UXHLAJHPSA-N	558.100	5.490	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	408860978	JYKOBLGVBXAMTF-IBBHUPRXSA-N	584.016	5.253	50	40	KKGB	
N#C/C(=C\c1c(Cc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408865583	DBUSQNFHXLCPPN-LTGZKZEYSA-N	501.811	7.392	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408873148	NPOVKKSVKKIMIS-WOJGMQOQSA-N	514.192	6.487	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408874493	CPHLEWGPYNMMHQ-RDRPBHBLSA-N	588.524	5.291	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1ccccc1Cl	408875536	JUQFURHDWCZCIC-UOTKMIPNSA-N	552.840	5.809	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1Cc1ccccc1Cl	408879790	FPPGKDXZYIMMQU-WOJGMQOQSA-N	511.803	6.343	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408884200	WGLJWRIPEMVRSB-VIZOYTHASA-N	720.088	7.235	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Br)c(Cl)c1	408884801	ZULRRALWKGRGMB-YBFXNURJSA-N	500.223	7.201	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Br)C(=O)Nc1ccc(Cl)c(Cl)c1	408892456	ZNUBOPPHQHTSCL-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408892699	BXNRCESPVLDIQL-LHHJGKSTSA-N	660.533	8.205	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1Br	408893837	GDZJLDPQYQNZSD-RGVLZGJSSA-N	570.281	6.962	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408921820	CFTGPWRDOZJQGZ-GZTJUZNOSA-N	593.967	5.639	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OCc1ccccc1C	408925945	VEKDJMYFLUDPFI-YBFXNURJSA-N	650.254	6.338	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408936734	FVVUTINPOVUBSN-FDVSRXAVSA-N	505.958	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408944869	JTVGAWYKZMSSSF-MHZLTWQESA-N	750.897	6.329	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	408952661	OQKGZWJCTXMHTH-BKUYFWCQSA-N	513.428	6.744	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	408954644	ZJGLGHZDJMNGOH-MHZLTWQESA-N	760.461	5.374	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)c(OC)c1	408957151	SKVNNHPBRHPVCS-HVJLQFNCSA-N	903.306	5.966	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408966465	LVDIWXIWQTVHDC-PNQUVVCRSA-N	568.321	5.397	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(C)n1-c1cccc2ccccc12	408977012	CBJHNMUUUGMJSV-FFWKWCQCSA-N	540.664	5.808	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2cccc(F)c2)c(OCC)c1)c1ccccc1	408977468	DPBCJTBQZJKADO-XDRVCWSLSA-N	507.562	5.131	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(Br)cc1	408978576	JEQRBVIHDVJSEO-OGJVGATRSA-N	650.595	6.295	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(F)cc1	408983909	OFSRQZXNVIUSLX-YBFXNURJSA-N	590.820	6.916	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1	408985759	YMPNEBRHXIKLRE-GRSHGNNSSA-N	607.275	7.430	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)cc1	408989999	JQHGYXVIZNJPIS-YWJDCOKXSA-N	623.716	6.889	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408991920	RMOBLVFVYZYLKF-YZBDQTKNSA-N	610.498	5.682	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cccc2ccccc12	408996339	DDASOXKAFISHAJ-JVWAILMASA-N	506.343	5.787	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)COc3ccccc3Cl)c2C)ccc1I	409000934	ZBVAMSZDYKXTRQ-ROTLSHHCSA-N	521.786	5.190	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1cccc(Cl)c1	409001931	YBEARRIWCHWQMD-PDGQHHTCSA-N	514.750	6.069	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	409010145	AGCITTOUSLSKGX-SGKAQFLYSA-N	664.222	6.532	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	409013363	JZBKWINPHZWWCA-JQRSWJALSA-N	550.870	6.355	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC	409015233	AXSGQZBURVUFET-SIBBHDSESA-N	713.743	6.875	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1C(C)(C)C	409017532	XDPPHQXUONSYNK-AUEPDCJTSA-N	542.215	5.737	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12	409035087	IUOUTFPGOUQZSQ-MZFJOGFUSA-N	536.429	7.007	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1	409069380	KPZVTFIEYBDNMO-NTEUORMPSA-N	614.674	6.317	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409084334	XPHAQCUZMSDYJS-NVJOKUIPSA-N	603.671	6.993	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)OCO3	409108342	WGXDKOULZXFGHM-HSZRJFAPSA-N	546.204	6.282	50	40	KKGB	
Cc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409109523	GQHWUCMTDWTWBA-UHFFFAOYSA-N	504.096	5.861	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1)c1ccccc1	409110096	RFCPCGVWCPJOPA-AGUNFTMMSA-N	530.477	5.633	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(C)cc1	409125239	MXVOOEGZPTVMQE-DEOSSOPVSA-N	508.416	5.075	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)cc1	409152102	DJFPPXSAUNJTJA-OCSSWDANSA-N	581.467	5.043	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409155796	CSTAJNVSYFCFKU-XKJRVUDJSA-N	592.277	5.479	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(Br)cc1	409167271	HYDUSGWDBLIWOV-PNQUVVCRSA-N	734.172	5.866	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	409202858	UAOKNAQHOIYLMB-RPPGKUMJSA-N	524.267	6.577	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409218652	JKTNAOWIMALFIJ-UHFFFAOYSA-N	611.279	6.991	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)c2)c1	409219884	RGPNJGSGJMLBKF-UHFFFAOYSA-N	649.339	7.064	50	40	KKGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	409226958	WSGCQLWWWZXIGA-FZPRHHONSA-N	633.013	5.509	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(I)cc1	409250082	MHRXNBKCZPNWAE-HMAPJEAMSA-N	631.308	6.297	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409254304	YSZAHZHFSBEYHV-XDHOZWIPSA-N	599.400	5.701	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)CC2=O)cc1	409259333	YKVYHIVCDUGDBH-KBSCCBJKSA-N	570.473	5.873	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409323233	ZUQVCYQPJCXKHL-RGXNXFOYSA-N	510.590	6.016	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Br)c1OCc1ccc(Br)cc1	409366789	YGPIMMHTDWAPHU-MUXKCCDJSA-N	590.268	5.263	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1OCc1cccc2ccccc12	409368832	OSIGOAPFTMUBHX-OKCVXOCRSA-N	546.421	5.912	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409394417	AEVFDXYUTYTAIZ-UHFFFAOYSA-N	610.464	6.872	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(C)=O	409395685	QQDSNFIETAEWBC-UHFFFAOYSA-N	784.255	8.039	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OC	409403888	OJWUXPXKFFKKIP-BVMLUPFRSA-N	600.897	6.853	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1C	409409365	ODYBMHXCGBULQO-FZKWRIDDSA-N	534.660	7.054	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(Cl)cc1Cl	409409763	QWHMLIVARBDYOS-UHFFFAOYSA-N	559.365	6.380	50	40	KKGB	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	1831823	PTDRKHUVHOXYEB-IJXQHKDQSA-N	564.878	8.157	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	1868606	NHKJFODQOHDBKG-SANMLTNESA-N	593.934	6.809	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccncc2)cc(I)c1OCc1c(Cl)cccc1Cl	2149981	GLZIIMBRSYIOEF-KBKYJPHKSA-N	556.187	5.345	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(=O)OC)c1C	2264667	NKEPPFZUBHQTHB-PTNGSMBKSA-N	521.576	5.226	50	40	KKGB	
CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1OCC	2309830	OPYGTMMRIQONFH-RPWUZVMVSA-N	521.639	5.351	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)cc1C	3114355	JOSIMCJUJGBXGZ-BIZUNTBRSA-N	522.557	5.271	50	40	KKGB	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1Cl)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6089765	DSXQTTNZNHITDJ-NEQYQEQJSA-N	560.459	7.594	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1cccs1	6093281	KUARCYPEGYTNJX-CVKSISIWSA-N	540.554	5.152	50	40	KKGB	
O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccc(NS(=O)(=O)c2cccs2)cc1	6147242	YLKZHRIDXMDDEO-STKMKYKTSA-N	576.703	6.924	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)cc2)sc2c1CC[C@@H](C)C2	6167106	UCCBOHMWGYLALJ-MUYSCTMGSA-N	623.728	5.245	50	40	KKGB	
O=C(N/N=C/c1ccc(O)cc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1	8427064	MIFMPZUNRRYSMZ-HPNXWYHWSA-N	558.634	6.893	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	12250131	DPARYCWFGURTBJ-SANMLTNESA-N	512.635	5.911	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N1CCCCC1	16701299	YBPYZQSRJXJPRA-PLRJNAJWSA-N	506.581	6.177	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1	59856575	QVJLCXOZQPLDIN-NJZRLIGZSA-N	548.064	5.898	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1c(Cl)cccc1Cl	95752839	SSGKWBHOBWJMCN-UVUYFVAOSA-N	549.454	7.166	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(=O)OC(C)(C)C)=C(C)N2)cc1	97950995	VNEXMQQCIPKABA-VWLOTQADSA-N	540.085	6.148	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(C)n1-c1ccc(Br)cc1	97983534	VJBLDEVZRMVFLQ-WMFSDKRHSA-N	666.418	6.407	50	40	KKGB	
O=C1C(Cl)=CC(=NN=P(c2ccccc2)(c2ccccc2)c2ccc(Br)cc2)C=C1Cl	97983967	UHYCRFHBRUJLRY-UHFFFAOYSA-N	530.189	6.111	50	40	KKGB	
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)c1C	100929296	AOODOMKLTMNBPH-KGENOOAVSA-N	550.434	5.513	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1	100952658	HRCWYWMTQPMJDE-GRSHGNNSSA-N	574.244	6.162	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@@H]1c1ccco1	101305229	PQOVRSSRFAOZSL-HSZRJFAPSA-N	553.562	6.067	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC#N	103889986	GNYVZHDRECMYNA-GHXNOFRVSA-N	528.133	5.055	50	40	KKGB	
O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1ccc(Cl)cc1Nc1ccc(Cl)cc1	104115349	CQKLUIZHUNLAAV-MWLSYYOVSA-N	524.279	6.785	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr	104255084	RGOXLGSJFUPZJE-UHFFFAOYSA-N	585.884	14.665	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Br)cc1	408532932	ROJBECRHSOFDSY-VVEOGCPPSA-N	536.348	5.618	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc(Br)cc1	408598701	IVEMEUSHMZGCID-OKCVXOCRSA-N	635.340	7.093	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1	408607530	DNHXUKJBDZUHKF-XODNFHPESA-N	504.801	5.877	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Cl	408612307	UXWQIOSJVMQCFU-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408640274	HTZPYLOTVBFPQI-PDPGBCDDSA-N	553.845	5.791	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(F)cc1	408649896	LSRGMXBAKHMHSA-KPIIRZJKSA-N	647.122	5.151	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccc(N2CCCC2)cc1	408676879	NHLPSXYMQQYHAW-RWPZCVJISA-N	696.283	5.747	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)ccc(Br)c1Cl	408683565	IJMWDZODUADGPA-AHCXZYCDSA-N	602.696	5.321	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2I)cc1	408745857	AMAWWMWRKLAGDS-ZDLGFXPLSA-N	652.124	7.249	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)cc2)cc1	408746627	UHGAVNBSQMMMQL-RGEXLXHISA-N	510.331	5.424	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)ccc1I	408747002	JBSQGDXRVUGLLB-LUOAPIJWSA-N	681.095	6.554	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1	408753262	FZVTZTFFZQFIKJ-KPGMTVGESA-N	544.394	5.831	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408757805	CHJRATAXJNTKPW-PTNGSMBKSA-N	516.178	6.521	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OCc1ccccc1	408760927	BAADCGXYBOYEOH-XDHOZWIPSA-N	510.331	5.424	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408762662	KSMMYCANFYSXDQ-PXNMLYILSA-N	520.185	7.020	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1	408762834	LJZLCRJSWKTUNA-XSFVSMFZSA-N	503.942	5.080	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccccc1Cl	408787545	BREQVHCNKFXJAH-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(Br)cc1	408789230	OPIALSHUCYQYTR-CIAFOILYSA-N	584.308	7.352	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)c1	408795278	UZALGZWLAABZSR-VXLYETTFSA-N	558.245	7.092	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1	408796111	NFQHMKHTOKSCNM-YBFXNURJSA-N	605.245	6.880	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408797745	TUTMHGPDDYJWFF-CAOOACKPSA-N	546.794	7.078	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccccc1	408816188	JCCJTVJBBRETDW-XKZIYDEJSA-N	568.411	5.501	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408816845	WSFJSQDPWPDASY-UIXZAHOOSA-N	604.150	7.495	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl	408824027	PBXGONNXIFYSIJ-RQZCQDPDSA-N	572.799	6.153	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5cccc(C)c5C)c4C)cc3)cs2)cc1	408839334	QUHXPQUYOFWSKR-DPNNOFEESA-N	533.701	7.650	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408840090	XMYHYFJUGWEAEA-YLYVUXRMSA-N	730.899	10.018	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2I)c1	408843084	QGCGRUQJNREDPA-IIHBXENTSA-N	776.360	7.695	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	408860909	IBOPBDSVDNGQFH-KNBZMSCYSA-N	640.318	6.678	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408862862	MWTAWPKQQAWXBL-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(C)c(C)c1	408877645	WSXMHDCNYGNWNJ-RGVLZGJSSA-N	556.375	6.180	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)c3cc(Br)ccc3OC)cc2OC)cc1	408883548	TXWVLGPZRVRDCO-UVHMKAGCSA-N	592.240	5.221	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408883650	QPNGQMNWSBUCPJ-LICLKQGHSA-N	580.198	7.355	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	408887603	PGTYMWTTZHEKPI-LFIBNONCSA-N	546.204	6.529	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Br)c2)cc1Cl	408892281	AJAPVWJKILGDEU-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Cl)c2)cc1	408896444	NROVWWWCARJMJP-DEDYPNTBSA-N	539.813	6.404	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OCc1ccccc1C	408924672	NNSBTNCZCUVPFR-OEAKJJBVSA-N	574.418	6.886	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925611	SJEULKMLHSQTSN-XDHOZWIPSA-N	584.448	5.038	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1c(C)cc(C)cc1C	408980477	RFFIYYOPWIEUPG-BMRPRGCTSA-N	599.753	6.068	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1c(C)cc(C)cc1C	408982533	YKXIWGIAQYILLK-VTUIABHFSA-N	549.671	6.211	50	40	KKGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)OCc1ccccc1	408994410	ZMPGPAUPSQBEOX-UCSZFZCUSA-N	655.347	5.502	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2c3ccccc3c(C)c3ccccc23)c1C#N	408997017	FYZINPIPHQJRPV-YNFMAFFXSA-N	531.410	5.315	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl	409002717	PEYBPEQDRHOLPJ-OHUYPAJKSA-N	617.986	6.438	50	40	KKGB	
CCOc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409028827	UMDMYVFCZMNROQ-UHFFFAOYSA-N	545.702	5.006	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409030609	GMTQRGAMLQKSJS-KCSSXMTESA-N	537.044	7.136	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409042520	YBHDHGNPYZTLFQ-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c(Cl)c1	409054624	UPGGSOWIJPUEAJ-LUOAPIJWSA-N	709.547	6.963	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409082811	SZNMSEKLEFFUSQ-RIYZIHGNSA-N	515.831	7.273	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccccc1	409093738	ATHQWWOYCKPZNA-XMMPIXPASA-N	521.367	5.374	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1Cl	409132113	OUUSBWFQZBJDFM-QHCPKHFHSA-N	577.306	6.464	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)c(Cl)c1	409138774	HVVYEFLGSJZUHF-HHHXNRCGSA-N	570.517	6.354	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc(Cl)cc4)(c4ccccc43)[C@@H]2C1=O	409149654	MHADHUOGTBHJHC-WKGLYUOSSA-N	621.049	5.152	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)cc1	409152928	GRPRYLIVBYMSEU-KPGMTVGESA-N	625.520	5.278	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1cccs1	409159273	ZYKYXHBVXARQCS-WKULSOCRSA-N	524.429	6.650	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409180957	ZQDAUBLSOJPYAD-WKULSOCRSA-N	597.263	6.545	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)Nc1cccc(Cl)c1	409187346	PFAVFPVZIKZVIK-ROTLSHHCSA-N	537.639	6.600	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1	409254092	HPYFCQZUJULUTM-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409264411	FQEQDHZNIQDOQV-FDVSRXAVSA-N	554.441	5.255	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)ccc1OCc1ccccc1	409303440	MXBBECCAXCTALW-HQDYHJHZSA-N	633.495	6.477	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OCC	409315049	MQHGOYPEHYKLAZ-BVMLUPFRSA-N	657.332	7.137	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)ccc1OCc1ccccc1	409322720	MYAWBOSVVIZABT-BJUCDSOZSA-N	703.225	7.905	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OCC	409324147	RGGYXHIXPFTMEH-CAQPMQTCSA-N	610.505	5.901	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1OC	409324507	UOOTYPDJQBDKGR-WKIKZPBSSA-N	650.236	6.158	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2)cc1OC	409325485	YXKNTYJMFGBLIK-MNDYBZJGSA-N	633.337	6.099	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409337476	VISDHBUBACPOQP-KAJJTAOCSA-N	566.235	5.634	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccc(Cl)cc1Cl	409371682	GALJDYBPWJDRJI-PPDIBHTLSA-N	567.223	5.945	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409393242	WITLFYANCOAXNP-VWJSQJICSA-N	501.417	6.712	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409395870	SQGADYVRCRADFB-UHFFFAOYSA-N	820.716	8.785	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409395965	UPICLGKGRXHGJX-UHFFFAOYSA-N	798.635	9.778	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)c1	409396561	ZBPCZIRZDSMTFF-UHFFFAOYSA-N	760.664	8.768	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398189	RQPLIPJEZZDQLC-UHFFFAOYSA-N	661.896	7.541	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(C)C)o2)cc1	409402759	KVZVQJLMQJQCSP-MWLSYYOVSA-N	516.554	5.725	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OC(C)(C)C)c([N+](=O)[O-])c3)o2)cc1	409405254	SHIATGLMUMKSOO-ACXHZZMFSA-N	609.477	6.878	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1	1529548935	QMQQEQQRFVIPMK-PUUODXJESA-N	627.550	5.457	50	40	KKGB	
O=C(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)Br)C(F)(F)F)C(F)(F)F	1772820747	HRMNXIPBCXQKQH-PWNYCUMCSA-N	508.959	5.145	50	40	KKGB	
O=C(NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12	1911936315	VSALOLIXTRRWQT-UHFFFAOYSA-O	721.733	10.236	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1	1888971	WVIUMYYSMPDPNZ-NLTRVXJZSA-N	550.453	5.373	50	40	KKGB	
COc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)ccc1OCc1ccccc1	2312413	XQGCAMSIDBFKND-JOCHJYFZSA-N	513.619	5.293	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	2374623	BOEVNNMVPUBBAR-DGDHUYAWSA-N	521.708	7.184	50	40	KKGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	8843123	CTKUHHAIVBJUNR-LGJNPRDNSA-N	503.849	6.065	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccccc1	9041269	DAHSFDZVDNAJDS-YZSQISJMSA-N	506.429	5.329	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	12250091	FRLBRZFTEUEJNQ-SANMLTNESA-N	515.038	6.047	50	40	KKGB	
N#CC1=C(SCSC2=C(C#N)[C@H](c3ccccc3Cl)CC(=O)N2)NC(=O)C[C@@H]1c1ccccc1Cl	33355312	VKOUTMOJGUIHEU-CALCHBBNSA-N	541.485	5.795	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(Br)o1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	59105210	BIBUMZXYVOTYCJ-ROTLSHHCSA-N	521.253	6.428	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccnc1Cl)C(N)=C(C#N)[C@H]2c1cc(Cn2cnc3ccccc32)cs1	98007987	MCXRVCZVLOOZQN-VWLOTQADSA-N	541.080	6.135	50	40	KKGB	
Cc1ccc(CN2c3ccccc3C3=C([C@H](c4ccc(Br)cc4)C(C#N)=C(N)O3)S2(=O)=O)cc1	100032503	QNMHGYTUHDHBAQ-HSZRJFAPSA-N	534.435	5.284	50	40	KKGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3Br)c2C)c1	100100558	OZANYINGWMNQBG-RPPGKUMJSA-N	549.332	6.311	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100124836	MCAHNRGCTQHVMR-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332080	ONYIQRHTPBVJNL-FABQOPTDSA-N	614.646	5.476	50	40	KKGB	
CC1(C)[C@]2(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC[C@]1(C(Br)Br)[C@H]2Br	100867943	PFEVRJZRRMNYTD-CDHQVMDDSA-N	567.135	5.160	50	40	KKGB	
Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)c1	100929241	ARHFMSBZXQIHQG-HYARGMPZSA-N	550.434	5.513	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1OC	100956463	UDUFSQFQJRKKEV-GDJOMKKCSA-N	548.064	5.142	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccc(Cl)cc1	102007281	VVKOSJSSFAQYNZ-KKMKTNMSSA-N	576.925	6.542	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528833	QQMXZPYNQAHGMX-REOHCLBHSA-N	592.002	7.117	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1Cl	104899146	LFXUPLYNFLKNMH-IPBVOBEMSA-N	541.218	5.977	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1	105342553	JSFZOAJKRHWUPA-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	105676981	NOMOYQCCEJWGLE-AABVJFSESA-N	590.514	6.033	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)c(C(=O)OCC)c1C	110346903	CYAVDJSQRPYFPF-HYARGMPZSA-N	606.653	6.015	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)ccc1O	118917138	ACWUUWIBURCOOJ-LLNBGSJFSA-N	540.745	5.258	50	40	KKGB	
CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341646	PZEUYQKZNADPEH-AWEZNQCLSA-N	742.336	11.501	50	40	KKGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(C)(=O)=O)cc1	162482618	WXNJRJAKOXOUAZ-WGNGTQIVSA-N	659.386	5.657	50	40	KKGB	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O[Si](O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)(c1ccccc1)c1ccccc1	263593267	BBEQKIUJQPOHPG-BTGAXLDVSA-N	757.144	10.077	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408530087	LAGVWAPTBVUMKS-VVEOGCPPSA-N	612.295	6.446	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408539868	KFNVXRNBKUHZHK-VYYCAZPPSA-N	501.343	6.200	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542796	NXMMXKUTOSYNIJ-FDAWAROLSA-N	556.575	5.319	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c(C#N)c1C	408547216	VLOWGWVJELVQIC-BKUYFWCQSA-N	500.624	5.297	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408567390	DLJGFLPBMRVCGG-CCVNUDIWSA-N	533.502	6.580	50	40	KKGB	
COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	408636578	AMJZQMDGDNOLGG-UQBPGWFLSA-N	525.960	5.403	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408660117	WHZGFNIKVOWCFC-DAVHQJNUSA-N	704.755	5.170	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408710645	BUCVRSCWAVYZAU-KVSWJAHQSA-N	540.216	6.637	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c1	408726246	MMRGZLVDHQWMCP-DHRITJCHSA-N	612.205	5.247	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1Br	408755404	NKMFFLFOVKWMDR-ZVBGSRNCSA-N	535.030	5.145	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccccc1	408758405	JRWUOWRJHJJQQT-JEPNHJGPSA-N	609.605	7.810	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc2ccccc2c1	408759665	JEACVPYXNWQXTO-CVKSISIWSA-N	554.378	5.042	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)c1	408791565	YTVAOPDAQWUYTB-VXLYETTFSA-N	713.151	7.400	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(O)cc1	408792195	JJIOUTHHCFDJGT-GZTJUZNOSA-N	514.294	5.261	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Br)cc1	408794432	JDATYSFYDYXLFM-LZYBPNLTSA-N	658.117	7.494	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1cccc(F)c1	408797038	QSSGKAPYLCXITK-RGVLZGJSSA-N	508.933	5.789	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc(Br)c1OCc1ccc(Br)cc1	408801833	CDSQRWDOYCCNPR-VCHYOVAHSA-N	620.725	7.397	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408807505	CNDBYDJSNYFDBJ-JAIQZWGSSA-N	586.280	6.031	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408815780	UZLJVSYZFISTLV-HDQUPXCUSA-N	677.437	7.214	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408830578	SKLMYBNSKBYDLX-FDALDRLYSA-N	725.676	6.319	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1	408838127	RQIUZDAJKBCEBY-FADJLKOXSA-N	593.705	6.081	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)/C=C/c3ccccc3)cc2)cc1	408838546	FYEWLCJKQUDNDQ-LNTCXYMPSA-N	582.454	6.393	50	40	KKGB	
COc1c(Cl)cc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839315	QNTYPXMCLPKDAR-KVSWJAHQSA-N	576.303	7.396	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408840814	BUORJOUNYAEJBA-IZYHBKOJSA-N	631.585	8.911	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1	408850183	HRAFJLNOWXOMCT-MTJSOVHGSA-N	564.867	6.437	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(F)c1	408850962	HCEWRACKTYYSHR-DBFSUHOCSA-N	637.243	6.681	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408851847	APJBIVFCSHJMRU-FXMZOFOKSA-N	688.541	7.559	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)cc1	408868451	OVRZEFUJKSPZJS-VCHYOVAHSA-N	579.800	7.645	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Br)C(=O)Nc1ccc(OCc2ccccc2)cc1	408872790	IWDZFGPXQKICAV-KOEQRZSOSA-N	557.875	7.818	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1Cc1ccccc1Cl	408877344	UZYUAPKVEWCQMT-XDHOZWIPSA-N	572.830	6.488	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccccc1	408878355	AVWDJHVEDPTNBO-UZWMFBFFSA-N	515.009	5.704	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(Cl)cc1Cl	408891109	LOQAAXHHMQEUFP-XODNFHPESA-N	552.252	6.506	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2OC)cc1	408892324	AMFNZCAEMGTHJZ-MUFRIFMGSA-N	533.378	5.603	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2Br)ccc2ccccc12	408894661	IOOQLOYPAZTQPI-HAVVHWLPSA-N	511.419	7.289	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCc1c(C)cc(C)cc1C	408906979	FMHXAHXPFQIEQA-BIZUNTBRSA-N	502.655	6.380	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1)c1ccccc1	408999691	RMXHSZUGTAQREJ-KIZAIXKYSA-N	680.337	5.969	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl	409017516	RWZDBYLFENCDTA-ZAHDWXQSSA-N	539.257	5.063	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccccc1	409046191	JJKAPOMFJOCKIH-XDHOZWIPSA-N	567.383	5.171	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409049376	WJVPBIOYFHRMMR-LDADJPATSA-N	536.382	5.117	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)Cc2c(Cl)cccc2Cl)cc1	409067184	JTKVHQUJPOQTKN-KVSWJAHQSA-N	542.847	5.436	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409082052	PBQDPLIFIRSMQG-CXUHLZMHSA-N	578.297	7.539	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409130185	KPBRORLDLVGRLK-VTNSRFBWSA-N	624.119	5.627	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	409142232	WZCWPPCRQYWYGE-VTNSRFBWSA-N	694.378	6.523	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	409145750	QWICJIWBFLRRJT-OAQYLSRUSA-N	640.190	5.538	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	409184484	GVFRQFZPIADBRH-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1cccc2ccccc12	409220668	DBHCVDLUTMLGLJ-UHBFCERESA-N	521.386	6.022	50	40	KKGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	409249128	IOOFVLLCEIJRLX-XKJRVUDJSA-N	540.432	5.489	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)c1	409249632	KBRRBAQUERMBOB-MFOYZWKCSA-N	525.348	5.773	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)c1	409251478	QMWNKUVOWKOHMI-ZDLGFXPLSA-N	617.725	7.045	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1)C(=O)NCc1ccccc1	409259096	WMZNRQOWUXXVJJ-VCHYOVAHSA-N	603.698	6.106	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409259653	BZECWRXVKFCBNV-NUJZUDFISA-N	514.409	5.790	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Br)c1	409260850	XNPWNUVHNQJYHH-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1	409263280	BMNYBOQVEUNFLE-GXBUFBABSA-N	551.643	6.063	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1OC	409310565	AXLTZLNUTPPTOL-QDTIIGTASA-N	606.267	5.660	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1OC	409312728	LZPRJVDZIVVYAK-MUXKCCDJSA-N	619.266	6.036	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409331423	DCVMUUCKLWVXMU-PMACEKPBSA-N	568.866	5.155	50	40	KKGB	
C=C(/C(C#N)=C/c1cc2c(cc1Br)OCO2)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N	409333496	KEPYFEZYSQNXHH-QGMBQPNBSA-N	543.248	7.194	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc(I)cc1	409336333	NREWXQSUSNRHGW-UCQKPKSFSA-N	612.895	7.505	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409368887	REMDAULRJCNBOQ-KVSWJAHQSA-N	565.251	6.066	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409381826	NXJMZNYPFQUBRW-KOKCXWAISA-N	670.191	7.704	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OCc1ccc(Br)cc1	409392772	RSQLUPILEDOXDS-IBBHUPRXSA-N	644.307	6.357	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccco1	409395050	JFYSLKAEPRVSOL-UHFFFAOYSA-N	607.258	6.936	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)cc1	409395548	OYEWQOMGUXJBEF-UHFFFAOYSA-N	807.664	8.610	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)cc1	409395727	RAGMFBVBPINSLK-UHFFFAOYSA-N	678.324	7.494	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(ccc5ccccc54)c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409397202	HIXPIWGBGAZIEG-UHFFFAOYSA-N	627.653	6.914	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409398769	VPFBDAAYTSMZNR-UHFFFAOYSA-N	572.448	7.524	50	40	KKGB	
CC[C@@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409402829	LFEIOHCQRVSKIO-LCYCTPALSA-N	628.951	7.632	50	40	KKGB	
COC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409406564	XCPQHIANBDMOGH-LNUPBTJSSA-N	558.635	5.036	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)CCC)CC[C@]4(C)[C@@H]3CC[C@@]12C	504113545	ILSFDWKMTIXYBP-XAXLCOJFSA-N	521.295	10.352	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(C(C)C)cc2)c1C	1529547551	LSRHSFUOJKKJIV-AUGDWJGESA-N	587.746	5.103	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccccc2C#N)ccc2ccccc12	1529548927	QJAIDPZNADXEFB-MPZKYCQLSA-N	633.730	5.175	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1	1529549212	VMCBDFPPKYFEGD-AYSITGFNSA-N	661.995	6.111	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	710592	YABLYXKHDUXDFP-VWLOTQADSA-N	519.026	5.948	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)cc1	3184775	QENDLOFWTYGOTP-BHGWPJFGSA-N	512.242	5.571	50	40	KKGB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Oc3ccc4ccccc4c3)cc1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	4179223	HRYPILXPBHYOQT-WMXKIEPZSA-N	541.239	5.914	50	40	KKGB	
Cc1ccc(-c2csc(NC(=O)CC(=O)N/N=C\c3ccc(N(CCCl)CCCl)cc3C)n2)cc1	4822889	BBRVZFWJPOZXTR-MBTHVWNTSA-N	532.497	5.190	50	40	KKGB	
COc1cc(/C=N/N(C(=O)c2ccc(Cl)s2)c2nc3ccc(F)cc3s2)cc(OC)c1OC	9148805	MBAIVWIZCRHZLQ-OPEKNORGSA-N	505.980	5.857	50	40	KKGB	
Cc1nc(NNC(=O)c2ccccc2OCc2ccccc2Cl)c2c(-c3cccs3)csc2n1	13145924	NKPYIFSAOHDBAN-UHFFFAOYSA-N	507.040	6.718	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C)c1cc(Br)cs1	13960998	MKWUMJSXFYCJHK-GATIEOLUSA-N	502.825	5.575	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl	19951780	ZDCZAHPUBUNLGF-VUTHCHCSSA-N	528.074	5.382	50	40	KKGB	
COc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	20347898	FKGVYSAMWYAULQ-AREMUKBSSA-N	514.607	5.303	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)N1	33354474	IHNBZPKWMBBBQL-PMERELPUSA-N	578.719	7.247	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1	97968701	HZFJNCCYWCLYKG-IDJUBOEBSA-N	552.483	5.787	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccc(N2CCOCC2)c1	97981217	IWMKOFYWXKTVQT-XBQJKBNESA-N	635.161	5.861	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)c1	100124778	LBBZVDVAKHKYGS-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	100330364	JOQUVURQCWAZBT-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	100380681	OXXNMAWYMIIVRG-ZCTHSVRISA-N	564.132	6.530	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21	100603864	XFWKGHCSSBZQOZ-BVNFUTIRSA-N	539.035	5.246	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	102808670	CGOORTMTNCGYFM-SSEXGKCCSA-N	564.642	6.851	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	103875717	UPPBQXPXIYVNFX-ACXHZZMFSA-N	584.967	8.470	50	40	KKGB	
COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCC[C@@H]2[C@@H](C)P(C(C)(C)C)C(C)(C)C)cc1C	106804739	MUYKQLVEXOTWSJ-MOZWKJSSSA-N	542.725	9.006	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/NC(=O)Cc5c[nH]c6ccccc56)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)c1ccccc1	118923063	CEUHHNMGEVILPT-ZEZQSELNSA-N	563.742	7.371	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342285	OBZFUGUUICECTN-UWTATZPHSA-N	942.051	11.564	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(=O)CCCCCC)CC[C@]4(C)[C@H]3CC[C@]12C	150343462	PZBUHTHCCFTXDY-PBDITIFJSA-N	658.644	11.169	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc([N+](=O)[O-])cc1)N2	150434376	DKCUFYMGCPOQLU-DJBZMEIGSA-N	660.104	7.547	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)cc1OCc1ccc(Cl)c(Cl)c1	150628065	XABSXTGAEWTLGY-PNQUVVCRSA-N	633.286	6.260	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795271	WJNIYEZAXUFEOA-PHDIDXHHSA-N	673.992	7.820	50	40	KKGB	
COc1cc(COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2)ccc1OCc1ccccc1	408538468	NHHZLHLYOSJUCY-KDHRXPGNSA-N	640.765	8.484	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccccc1	408539643	XUWFTMWXJDENAO-PMHDSTOGSA-N	747.715	9.945	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1nc2ccc(F)cc2[nH]1	408566268	FMJZNSVYEQWNFQ-CHHVJCJISA-N	564.185	7.257	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	408673238	QPHJMWDYSRVWDS-BIKTWNJESA-N	596.404	6.828	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408673770	VBOMUASXFIMCKA-UPUJQMMVSA-N	574.191	5.384	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(Br)cc1	408677741	ULBXNULPDIMCRA-RDRPBHBLSA-N	522.443	5.791	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408726095	PALINBPIKBBPSQ-APSNUPSMSA-N	613.666	7.385	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1	408727144	YKXZPPFABCAJHZ-GRSHGNNSSA-N	569.355	5.641	50	40	KKGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408744059	YLQFCLULRHFQES-QCFMCPCVSA-N	507.593	7.434	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)Nc1ccc(Br)cc1	408745452	SJVGYOSCEPCTCL-NCELDCMTSA-N	623.348	8.882	50	40	KKGB	
N#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I	408760727	FAGYCYQFSPIEFQ-SDQBBNPISA-N	634.009	5.106	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(I)cc1	408782990	LRBUFAPQOSTFNM-OVVQPSECSA-N	509.391	5.004	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(Cl)cc1Cl	408787887	HHSKIGPJQKBOJP-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789690	RBGOZWAEFPPKRP-OEAKJJBVSA-N	710.322	7.666	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1cccc2ccccc12	408790004	TXDMMMQVIGFUON-BUVRLJJBSA-N	632.454	6.754	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1cccc2ccccc12	408790243	OFOIRLNORWKSEO-HYARGMPZSA-N	561.863	7.779	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	408791846	DIRMQMFGRWJWRH-XDHOZWIPSA-N	525.786	6.014	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408792685	BKKGYHYHNPCLBC-MFKUBSTISA-N	584.028	7.351	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1	408792784	CNVHARXMDPSLHA-YBFXNURJSA-N	602.812	5.864	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408793843	QHWZLFLRIMKSJM-CAOOACKPSA-N	686.127	7.272	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1cccc(C)c1	408794023	HDBKHHSIIFLVNQ-VXLYETTFSA-N	558.803	6.386	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408807856	PATZGKRMQXXURC-CIAFOILYSA-N	584.308	7.352	50	40	KKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1	408830249	NSNYVPGLMIVQMA-OVVQPSECSA-N	593.510	9.159	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408837394	DSDJDFVSHFWALN-NDZAJKAJSA-N	535.666	5.037	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1)S(=O)(=O)c1ccccc1	408837851	OXOPZQBPSBVOPT-HPNXWYHWSA-N	661.180	5.045	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839309	QLYQIEHRBJILAO-MHDJOFBISA-N	662.953	8.221	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408839789	AJJOLPPGAIYNBY-IURWMYGYSA-N	681.434	6.690	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408841121	FQYASLMFGQBBPU-XAZZYMPDSA-N	544.986	6.831	50	40	KKGB	
N#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408841628	FWCPKDGDMPNFTD-IPPBACCNSA-N	522.417	6.527	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccccc1	408843503	LTDWVRMQUSPTJU-XZYGTATASA-N	641.591	8.366	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408856261	JQIDDJAZKPNUPQ-ROTLSHHCSA-N	555.297	5.577	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408856323	FPBSWYJSXLDXPF-CCVNUDIWSA-N	543.483	5.737	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	408862937	JQLUCBYTSLIWGW-FNTLCPBMSA-N	666.731	6.011	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408863073	OVSDENOVORCPNQ-MHWRWJLKSA-N	538.900	5.902	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1	408874275	ZRYMKGHREGAQBC-UDWIEESQSA-N	525.830	6.798	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1Cc1ccccc1Br	408885424	ZQLMFOPGAMRVKL-LICLKQGHSA-N	652.124	6.961	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408890051	NBNRGUFUNMTGNB-UVHMKAGCSA-N	562.804	5.518	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(OC)c1	408925647	VHVXUEOAMDAPIZ-SUOIOASJSA-N	630.101	5.072	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408942454	FZIXIUNVTQBFMU-HHHXNRCGSA-N	808.449	5.426	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408945302	NXQDKXLIUASZID-OHUIHDMLSA-N	634.712	6.048	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)c(OCC)c1	408946373	MNQGZELOJIHUBG-UMSFTDKQSA-N	652.773	5.703	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	408968674	AWIWQHRIEJUCOY-RFTRKQJISA-N	659.825	7.981	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408970715	CMSAWAHDDUBUEW-FXRRECNFSA-N	542.463	5.427	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br	408984419	QUGOMLXZDMLZKE-AUWJEWJLSA-N	512.187	5.552	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1cccc2ccccc12	408984644	SHROTTFWBSBJKJ-UUYOSTAYSA-N	561.863	7.697	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	409003953	WAKJABPEADWKIQ-XEOXDSMQSA-N	662.553	5.334	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(Br)cc2)cc1	409006881	RPLGBTSGWYJPGZ-GOEQXXANSA-N	599.437	6.060	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	409011179	FAFYKLBNOOMYBA-UDHFYPGESA-N	624.157	5.673	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1C	409011925	PEAUTTJTUNRJKT-NUJZUDFISA-N	530.408	5.247	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409015208	OGGQGQVAAMZPJS-XBDXKVTFSA-N	585.315	7.009	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)ccc1OCc1cccc2ccccc12	409047084	MUQGQNLCGITESU-KBVAKVRCSA-N	579.438	5.984	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)cc1	409059226	VNHNKUQWJGUMPF-MHWRWJLKSA-N	594.256	5.973	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1	409074594	NCQHNWSOYQTYGH-FOWTUZBSSA-N	517.788	5.416	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccccc1Cl	409097160	FYGJIEUXNBUSDJ-HSZRJFAPSA-N	541.785	5.637	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1OC	409117938	RRVJSUKYCARJDL-VFLNYLIXSA-N	600.908	5.014	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12	409141714	BMZRXOYNWHJUHD-WRUAYDCFSA-N	625.468	5.797	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccc(Br)cc1	409144202	IRRCXVJZFXWDDA-KKMKTNMSSA-N	674.127	6.263	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3C)c(OCC)c2)cc1	409164535	JYCYHAHPDNSLFW-VTNSRFBWSA-N	672.520	5.202	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	409180429	SNSJZEVNPGUAAL-KWJVIYIFSA-N	579.631	5.874	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	409223528	IGRSZPYDZKIXSK-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409227796	WYQPMPWJWRACMV-UHFFFAOYSA-N	586.988	5.882	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409258863	VTJZQKZPTSMXGL-MFOYZWKCSA-N	589.273	6.636	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409264926	MWVJAGUHCZMYNM-QDTIIGTASA-N	544.833	5.509	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2Cl)c1C	409271567	VCKJBATZTDWHCR-ZDLGFXPLSA-N	617.725	7.045	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	409331723	HPTBXVDLFCJHTJ-AQLQTECXSA-N	667.782	6.752	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc(Br)cc1	409371499	GIKAZYXLSUTBPB-KBKYJPHKSA-N	739.971	6.764	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409372761	JLBDASCBPNUGST-OKCVXOCRSA-N	578.419	6.261	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(OC)c1	409383856	LNEMSARZWLPRSA-IPBVOBEMSA-N	617.121	6.879	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c(O)c1	409393210	VQBQCWNCUOPVKG-BRJLIKDPSA-N	534.204	5.269	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OCc1cccc2ccccc12	409393735	ZQHQJXXLEUYMRI-XZYGTATASA-N	629.498	7.138	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)[nH]c12	409394428	AHGBUSWKCXZBFZ-UHFFFAOYSA-N	614.927	8.105	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)c1	409395942	UGNIPASXXKYCHI-UHFFFAOYSA-N	670.869	8.261	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397346	IXEGNWYTAYZDPP-UHFFFAOYSA-N	582.454	6.979	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccccc3Cl)o2)cc1	409400396	CTGRZAVDYYELNO-FZKWRIDDSA-N	554.046	7.262	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(Cl)c3)o2)cc1	409400708	FEBRWCAMIRTGOR-AEUUOICLSA-N	598.055	6.961	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409402757	KVZORHWAJKKYLO-KMUKQRDJSA-N	612.524	7.680	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409405095	SCDMWCHESWALSW-MPDKERLZSA-N	622.722	6.768	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Br)cc4Br)c([N+](=O)[O-])c3)o2)cc1	409405309	STKADFKMVMXOIH-HTVDVWKISA-N	801.286	8.805	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409409941	SAPWOZGQGLZTCR-AEVGBRMKSA-N	689.994	7.772	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1cccc2ccccc12	1529548662	KZZUDIRFDMMXJE-ITZWDSNUSA-N	692.838	6.431	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)c(OC)c1	2097276	QNISXXMQFJGKPS-XMDHKWJTSA-N	566.687	5.681	50	40	KKGB	
Cc1c(C)c2c(c(C)c1NC(=O)CI)CC[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2	5440601	KDVXZSHPUSXFLF-INEJIFKHSA-N	597.666	9.508	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1cccs1	9009005	WCGWMHPZUMBYBJ-TURZUDJPSA-N	503.697	6.234	50	40	KKGB	
CC(C)(C)C1CCC(=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1	20233026	JHKSRNHNBQLTIN-UHFFFAOYSA-N	517.695	6.404	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	32520777	FIFMDKYUJNSZHA-WKULSOCRSA-N	518.063	6.924	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	33716826	VUKBBSBRNWLEHK-VULFUBBASA-N	512.360	5.407	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C2CCCCCCC2)cc1	59472981	VECLUNLNJBJUHJ-UHFFFAOYSA-N	503.668	6.221	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)NCCc1ccccc1	59646742	FOMFJEYACRGXAC-KEIPNQJHSA-N	537.685	5.622	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl	96398832	YXSRGKAZDPKNFM-WJDWOHSUSA-N	510.402	6.693	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c(Br)c(Br)c1O	97964149	BNFOBRAPHOMISA-BHGWPJFGSA-N	528.241	5.143	50	40	KKGB	
COc1ccc(/C=N\NC(=O)c2sc3ccccc3c2Cl)cc1CSc1nc(C(F)F)cc(C)c1C#N	97965686	BMJSMABWGDEHPO-HCNMGLPWSA-N	557.047	7.132	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccccc1)c1ccccc12	98008402	YVGQBWPYPOAQIP-UUWRZZSWSA-N	575.043	6.985	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	98045839	DCGJBWJHTJMBHU-HVAQTUQNSA-N	627.468	5.023	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccco1	98048577	LGGNHYWDCCOQRM-HHHXNRCGSA-N	561.107	6.819	50	40	KKGB	
N#CC1=C(N)OC2=C([C@H]1c1ccccc1Br)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12	100032464	VHMIBNVOFWGFOR-QFIPXVFZSA-N	538.398	5.115	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(F)cc2)cc1	100989343	RCDWPBWMXHVWLJ-BDPHVXEFSA-N	526.420	6.506	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccccc3Br)Nc3ccc(Cl)cc3[C@@H]2[C@H]1Cl	102682163	RBCMVAUBLNSVGY-ADPKEXQPSA-N	550.305	8.049	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OC(=O)c1ccc(OC)cc1	102923350	LVFBUGCQWVRZEP-LDADJPATSA-N	539.357	5.760	50	40	KKGB	
CC[C@@H](Cl)COP(=O)(OC[C@H](Cl)CC)O/C(C)=C(\C)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161327	UTGSMHSGIYXBKS-GLGKQTPQSA-N	594.277	8.692	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	112255909	COKORMQCWAYRIC-JFLMPSFJSA-N	542.386	5.036	50	40	KKGB	
Cc1ccc(Nc2nc(C)c(C(/C=C\c3ccc(/C=C\C(=N/NC(=O)C[n+]4ccccc4)c4sc(Nc5ccc(C)cc5[N+](=O)[O-])nc4C)cc3)=N\NC(=O)C[n+]3ccccc3)s2)c([N+](=O)[O-])c1	150434312	BUQMSVLRWYUUNX-UHFFFAOYSA-P	949.092	8.180	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	150604312	UMYSBKMDMCWCHE-MFOYZWKCSA-N	699.670	6.891	50	40	KKGB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)c5ccc(N)cc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C	263596550	FTXMPGMBARZGMX-OFZRXVLFSA-N	858.942	5.100	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	408539685	JKFZPUNRESWUAW-MZFJOGFUSA-N	559.460	6.770	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408544905	VXQOGRZNMBWEKI-OCKHKDLRSA-N	502.781	7.387	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408550942	IMTQPBFEIURNON-BVMLUPFRSA-N	562.881	6.779	50	40	KKGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCc2c(Cl)cccc2Cl)c(OCC)c1	408610522	NOTLQULTBPBVSA-KKMKTNMSSA-N	545.261	5.100	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3c(Cl)cccc3Cl)CC2=O)cc1	408612811	YUVZPLZIMRHGEZ-HNNXBMFYSA-N	534.827	5.731	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638462	COWOVWOOFIDAKB-DUUJBTRBSA-N	756.483	7.817	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408641085	JOOYWXWFLOIRBG-TVFCKZIOSA-N	661.572	5.265	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408644671	HEZHPQXCUKQISP-GFBPQJDASA-N	643.159	5.400	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408659658	WFHCZFXHPAAHQU-QVWZKCLOSA-N	551.829	5.401	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2-c2ccc(-c3ccccc3)cc2)c1	408725067	NWEWXHBEIFGBSI-AJBULDERSA-N	501.546	6.187	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408726395	RIYXDXYHLJXIOJ-GRSHGNNSSA-N	607.275	7.430	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)c1	408726616	OTWVZJWDEGODSR-LGJNPRDNSA-N	548.231	5.572	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1C#N	408742972	CZWDOCDZBCHPPF-NHDPSOOVSA-N	502.368	5.762	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408743717	UOLBRECXPKTXHO-ODLFYWEKSA-N	554.340	5.123	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)c1	408746145	RGTPKEGFWWYHCI-XKZIYDEJSA-N	653.314	7.730	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)c1	408746669	VEUYQLAGXWYVQN-ODLFYWEKSA-N	552.381	5.889	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2	408748118	YQZCGIGQYQPILR-MFOYZWKCSA-N	586.236	6.074	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1I	408757766	BTIPTSSOPTVQAG-WJDWOHSUSA-N	592.220	6.161	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccc(Br)cc1	408769633	XTJLRVMQNGKFGH-PXNMLYILSA-N	555.210	5.073	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408817454	VYTBEEYKCHVRGY-JAIQZWGSSA-N	541.829	5.922	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408822909	CLYVPXFWCKLZRR-HZHRSRAPSA-N	618.871	7.714	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Cl)c3)o2)Cc2ccc(Cl)cc2Cl)cc1	408824326	GTFQXKXTVBQRFQ-CNCDYAKUSA-N	633.941	6.028	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408831151	QBBFBJBMUFVELS-LGUFXXKBSA-N	634.486	8.214	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1	408831532	VYCJUJBPLSUVMC-WEMUVCOSSA-N	555.656	5.419	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408838385	DZHQNQNACHWRSI-PUHLOBNQSA-N	712.365	8.114	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1cccc2ccccc12	408842263	JTEQHUOMGOERRV-YSYOEVFLSA-N	683.550	8.492	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408849429	YKZVIZLFJWJQKE-FJEPWZHXSA-N	673.374	7.558	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1C#N	408853134	LWGNAYQGLDJCRV-CKJBABAKSA-N	550.662	7.396	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1Cl	408854676	BCCIPLKDEVLGNV-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	408857020	JFBBSBBPSUWIPC-PPOKSSTKSA-N	563.679	6.149	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1	408861248	AUMRJDGUBWXQFD-XICOUIIWSA-N	631.751	5.644	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl	408870670	WJBAFVCDWMLJFC-VTNSRFBWSA-N	595.946	7.746	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3C)o2)cc1	408874511	CUUIUAJDKXVCPW-UHIZKJEFSA-N	647.968	6.337	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408887021	LHUUBTNWKZMSIK-YDZHTSKRSA-N	566.439	6.740	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408891169	MMKDOFCNDGERFU-VIZOYTHASA-N	581.637	7.442	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	408896048	OYXNDRYESPPDAG-GZTJUZNOSA-N	515.780	6.810	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1	408897066	QHBAINXPRPVSOQ-FYJGNVAPSA-N	547.836	7.389	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccccc1Cl	408898717	MLUWMFCAWYJJKK-FRKPEAEDSA-N	672.690	7.683	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)ccc1Br	408904484	KFKVXEDQESYMHL-BCHBDCPOSA-N	586.111	7.561	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408934039	CJEIAVXZROWPJQ-YNFMAFFXSA-N	588.817	6.168	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408945793	LOSPEKQQGYPWGL-MUUNZHRXSA-N	736.472	6.229	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccc(C(=O)OCC)cc2)c(OC)c1	408950809	HQXBQGCJZYSBFO-LDKHFMKXSA-N	758.022	5.587	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408953919	QNNCGTRGMVKHMM-OYKKKHCWSA-N	584.901	7.582	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc(F)cc1	408968845	ZQUHDSYFAHUOPK-VFLNYLIXSA-N	514.326	5.341	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	409000332	YNWKPJDJKMNDTH-WCMJOSRZSA-N	522.432	6.509	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1ccc(Br)cc1	409022365	LRYZKAXDLBJSOR-NVJOKUIPSA-N	639.671	6.805	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	409032432	IYJOADZMPMVNEX-KCSSXMTESA-N	579.638	6.813	50	40	KKGB	
C=CCOc1c(I)cc(I)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409033103	DLTSAXYVNBFNQH-MUFRIFMGSA-N	659.265	6.440	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1nc2ccccc2o1	409043095	PRVOSCGACRHADO-VIZOYTHASA-N	579.075	8.303	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OCc1ccc(F)cc1	409051888	OBCKXVBGYHSMOX-KKMKTNMSSA-N	505.771	5.902	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1nc2ccccc2[nH]1	409058164	RVEKXMDUIQBBKZ-CXUHLZMHSA-N	543.646	7.384	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccccc1Cl	409122635	ALGWBPBCNMAFAF-HSZRJFAPSA-N	589.861	5.652	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409128460	FKLKOBULWNUXFR-XMMPIXPASA-N	684.256	7.480	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccccc1Cl	409135585	ZGDVUWBCBBUPBM-HSZRJFAPSA-N	513.775	5.614	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cc(Br)ccc1O	409139293	CEIAZEVSCQNUNF-OPEKNORGSA-N	538.623	5.914	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OCc1cccc2ccccc12	409149405	FILFGSXLHUWWMU-WKULSOCRSA-N	611.392	5.800	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1	409154393	ACPZCVSGAOXRJW-AABVJFSESA-N	735.417	5.668	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409221710	ADPQRXHUZBZELF-WVXIXHKESA-N	671.762	8.044	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409222900	DQUYDHJLFZIPIU-KJNRASTFSA-N	691.332	6.575	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC	409225561	PQZJAPLBVSUNLG-DICXZTSXSA-N	511.918	5.029	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409227010	WXVZBJJRZOLSEW-VCHYOVAHSA-N	635.380	6.190	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)c1	409267906	PUYKWHMVZKTGIH-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)ccc1OCc1ccccc1	409305707	WTFOECSWDUBMOP-MZFJOGFUSA-N	579.074	6.158	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1cccc(F)c1	409324718	UQJMDTLERPRMNB-HQDYHJHZSA-N	607.476	6.917	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1OCC	409331455	DGKWNTJEGBBKIB-MNDYBZJGSA-N	580.306	7.286	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409378501	PIFCDGYAAQZKRK-FABQOPTDSA-N	612.111	6.997	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccccc1C#N	409386718	RODWPEIVWPBKCW-IPPBACCNSA-N	579.432	6.185	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)cc(OC)c1OC	409395354	MPRHCKCRKSYVMB-UHFFFAOYSA-N	662.924	7.260	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409395632	QCBHMYPGYNEIIC-UHFFFAOYSA-N	613.424	6.497	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)c1	409396772	BAPQIIOMTZBYRQ-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(CC)cccc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409396779	BCCFCVUOLMSDMG-UHFFFAOYSA-N	640.136	7.840	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Cl)cc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409398171	RMASKMIVCFDWBR-UHFFFAOYSA-N	680.928	7.721	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)o2)cc1	409400196	BZRSITBZESHEMS-HTVDVWKISA-N	667.933	8.477	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	409401003	FXQXXMUMULNSFZ-BIKKEBSBSA-N	648.716	7.644	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	1529547242	JTVGAWYKZMSSSF-XINRNAFCSA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	1529547869	QHBHWLHMDHWKID-FKZKYSLJSA-N	706.446	6.220	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@@H](c1ccc2ccccc2c1)c1ccccc1P(c1ccccc1)c1ccccc1	1857795120	NPFQPRKFPNKJDT-NBWQQBAWSA-N	521.666	6.739	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	6089818	AJDHFHWWYSQSCD-FMFFXOCNSA-N	572.731	5.764	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(OC)cc3)cc2)cc1	8399147	LFSQXMFUWDIJMO-KIGQLGJESA-N	539.035	6.477	50	40	KKGB	
CCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1	8449611	BCYXZGBFKZQIMN-OCMVRUFMSA-N	541.280	5.235	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	8453593	FCFMEJIQWQFURF-LHLOQNFPSA-N	538.652	5.248	50	40	KKGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c(C)c1	13297915	QKZCOIBCFBNOHY-VWLOTQADSA-N	520.098	6.702	50	40	KKGB	
CCCC(CCC)=NNC(=O)[C@H](C)Sc1nnc(S[C@H](C)C(=O)NN=C(CCC)CCC)s1	13757041	FUHGANDSUZKODF-IYBDPMFKSA-N	514.787	5.644	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2cc(Cl)cc(Cl)c2)cc1	19926469	KBTAGPRLAOJMBK-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	19949110	PUZPBLYAAMYJAY-ZTKZIYFRSA-N	512.075	5.682	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Br)c1	28216154	WGZYLBADOITIQT-WYMPLXKRSA-N	501.406	5.148	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	44965606	MHAWZNJYTUYMCI-WKULSOCRSA-N	512.006	6.751	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(CSc2ccccc2)cc1	59473021	BDWLHQCOSVJFOI-QNKGDIEWSA-N	502.639	7.475	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1)S(=O)(=O)c1ccccc1	59646928	DRQZFGRKLBHOLO-VTNSRFBWSA-N	586.928	7.115	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2cc(C)ccc2C)cc1	59647284	MOEVCSDKKHSLEF-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc2ccccc2c1	97939512	IMMBAHPLNWJMNG-MZFJOGFUSA-N	538.698	6.112	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)c2C)cc1C	100127171	KVFDZGFDQFRIHK-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	100328688	MBSBJMZMNVVDFC-KKMKTNMSSA-N	554.293	6.586	50	40	KKGB	
CCCOc1ccc(/C=N\NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	100533226	WFVVGCWKDFISFW-QHDYCIAZSA-N	620.171	6.995	50	40	KKGB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(/C=C(\C#N)c4nc5ccccc5s4)cc3)cc2)C1	100816527	JZHXFMAWMIPFBY-MTLCJGDQSA-N	557.697	6.246	50	40	KKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ncc(Cc4ccc(Br)cc4)s3)o2)cc1	100878847	AQJPPFASOSJSHG-CJLVFECKSA-N	590.499	7.259	50	40	KKGB	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCC(=O)c4ccc(Cl)cc4)c(OC)c3)n2)cc1OC	100934647	UNKQXKUVGYJPNW-MTJSOVHGSA-N	547.032	6.815	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)sc2c1CCCC2	101001175	FZAJBWROKZHAHQ-SANMLTNESA-N	618.806	6.572	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1	103901044	QSWXJBKHNYGXGS-RWPZCVJISA-N	547.902	6.631	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC[C@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)ccc1O	118917137	ACWUUWIBURCOOJ-BORTYNCZSA-N	540.745	5.258	50	40	KKGB	
COC(=O)C1=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)OC2=C(C(=O)CC(C)(C)C2)[C@H]1C	329788181	XAXDDZPJCZPGKN-JOCHJYFZSA-N	525.585	5.858	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542528	MAQFJTYAEJQQTK-UQQQWYQISA-N	520.551	6.983	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc2ccccc2c1	408548852	MDLRCVJJFCBOSE-JJFYIABZSA-N	647.681	8.346	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br	408568542	KIUWURFGNXCFOH-WYMPLXKRSA-N	570.328	5.231	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccccc1F	408581438	WSPJABZGEHBRDV-VCHYOVAHSA-N	517.192	7.002	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	408585485	FTBDLZPCPOOFJG-NVMNQCDNSA-N	537.668	8.451	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408653851	PZUWAVHPEBAZDM-QEQKNVQMSA-N	643.159	5.320	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)cc2-c2cccc3ccccc23)c1	408724866	MIQQWXPAWIBLJS-SEBMTOOBSA-N	571.080	7.997	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408731468	KRVAZIKHJPMVFV-IPBVOBEMSA-N	602.308	5.321	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c(Cl)c1	408739733	DZZREQNTTIWMTA-OKCVXOCRSA-N	536.857	6.853	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)ccc1I	408747255	LECVEIQQEGHSBW-IPBVOBEMSA-N	664.121	6.721	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1ccc2ccccc2c1	408764213	QRDDOLVBRUVPBX-YZSQISJMSA-N	504.567	6.306	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2F)c(I)c1	408780029	QMISGYJECWACHO-CHHVJCJISA-N	590.174	5.045	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408790053	MVGXEQCIWNOKBM-ZVHZXABRSA-N	756.334	7.298	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408796170	OIXJUCBSOLRRBK-VIZOYTHASA-N	510.179	7.564	50	40	KKGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3OC)cc2OC)c1	408807846	OZRCWGZIXFSMDZ-WOJGMQOQSA-N	508.958	5.499	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1	408831884	HPYYLLIMOGMRIT-ZALQFNEYSA-N	594.520	6.762	50	40	KKGB	
COc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1	408833432	SJUWFTADRMOIIX-ZMGVVAQMSA-N	629.522	5.383	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408837362	DEOUFDKUNRJFRT-QLQYKETESA-N	634.198	7.095	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1OCC	408837887	PHVDKQIUXLRQJP-VUTHCHCSSA-N	555.722	5.250	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC	408847380	VKBKCUKUCGAFFG-VFLNYLIXSA-N	628.414	5.614	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Br)cc1	408848880	WSKHUXXVTRHZIF-CPDSRJINSA-N	647.161	7.792	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408849567	ZIAZNQMNBFEUDG-AABVJFSESA-N	696.852	9.075	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc2c(c1)OCO2	408850205	IDOUBLFDPVYSFH-PXNMLYILSA-N	576.230	6.618	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408855215	AKFOKGNRWYICAK-ZLNXIQNYSA-N	801.974	9.465	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408855355	LZZRMRPCRASGQR-RMORIDSASA-N	602.020	5.338	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)c2C)c1	408859236	NKSKRYWRQZFIMI-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408862511	KRCVBBRCHIFYAW-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	408867405	MCBRFVNNLOWTNJ-DEDYPNTBSA-N	506.356	6.044	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1Cc1cc(C)cc(C)c1	408870699	WLPVZQFMWKBCCF-ZMOGYAJESA-N	564.467	7.060	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408885280	YWXVEAKHAHILEC-KEIPNQJHSA-N	609.535	6.290	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408886297	FYMMMYSOJLHTSR-GIDUJCDVSA-N	567.212	7.342	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408888278	YKIFQDAGCBUCMV-LICLKQGHSA-N	634.224	6.095	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408889624	HZLZUZZGWSZNFK-VIZOYTHASA-N	537.186	7.333	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(Br)cc1	408890218	PUPDVLXIQXGTSC-WOJGMQOQSA-N	589.227	6.187	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Br)C(=O)Nc1ccccc1	408896181	PXYAWWDVDFVQIE-LDADJPATSA-N	512.201	6.336	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1	408904539	LDDLOYBQMWZXHI-QDTIIGTASA-N	528.348	6.389	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408940650	CRVLXHYSLXTDTJ-GDLZYMKVSA-N	797.499	6.461	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br)Nc1ccccc1	408941706	KCJVOPBYXXUFLA-WKIKZPBSSA-N	571.225	5.739	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)cc1	408956875	ZZOWPQUVGWUWDM-LRIZEKIPSA-N	579.656	7.647	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCCOCCOc1ccc(C)cc1	408968881	CKLVZADUHWUENX-JJIBRWJFSA-N	535.040	6.376	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	409000970	ZIASEJPHSVGYTB-MFOYZWKCSA-N	684.655	6.372	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	409004834	FEAIBPDLBOMBNJ-DDLSGSJOSA-N	624.093	6.927	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409039682	CZPKYHPYEVHEFV-LDADJPATSA-N	585.373	5.392	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1)c1nc2ccccc2o1	409044723	WWOMRYCNUQMKFS-CXUHLZMHSA-N	500.179	7.540	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccccc1	409047146	MYZCPZXOGMLPCB-FYJGNVAPSA-N	595.437	5.870	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)c(C)c1	409075634	ZFWQZDQBRFNBHQ-LICLKQGHSA-N	535.836	6.577	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1Cl	409132111	OUUSBWFQZBJDFM-HSZRJFAPSA-N	577.306	6.464	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)cc1Cl	409141839	JECBDXLQOCYUHS-HSZRJFAPSA-N	624.306	6.306	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	409141874	CBUHPCTVSPVDMK-NCORDJIRSA-N	624.922	5.998	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3C)c2)cc1	409160618	UYSOSVVIAVECMA-OCSSWDANSA-N	581.467	5.043	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccco1	409162777	HPHAAQMLWONASB-WKULSOCRSA-N	508.361	6.182	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)c1	409210711	KCDPZWHJNZOZSV-GRSHGNNSSA-N	528.200	7.071	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1	409222299	BQWWLLNEZCMFOW-XDHOZWIPSA-N	613.306	6.482	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccc(OC)c5)(c5ccccc54)[C@@H]3C2=O)cc1	409223838	IUHXTKCFHRYGMN-ZZRZHNFNSA-N	585.660	5.451	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccc(Br)cc1	409224730	LKOCSLGCUKBLIC-UHFFFAOYSA-N	606.860	6.347	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409226946	WRVYYOKYNXZHDQ-DEDYPNTBSA-N	564.436	5.728	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1cccc2ccccc12	409235208	BLCLVVCWRNCMDD-FXONECCMSA-N	541.445	6.974	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NCCCc1ccccc1	409243837	UYOLQQWMAAHILV-JAIQZWGSSA-N	578.721	7.644	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409251515	QWKXLGMFJORNQG-SAEPALGJSA-N	654.192	8.004	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)cc1C	409256644	MMWWTQGJPVJFQN-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)c(C)c1	409265449	SQUHZSMRLJCUHR-YBFXNURJSA-N	583.280	6.392	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccccc1C	409266322	QRWHQIXSWBBNAJ-MTJSOVHGSA-N	548.437	5.946	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)ccc1OCc1ccccc1	409304881	SQGDKSZLEJECIE-HQDYHJHZSA-N	563.481	7.622	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409321507	SZAVEVKGGUMKAC-WOJBJXKFSA-N	568.866	5.155	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1Br	409323177	OMGKTFXSMOTZKJ-CFRMEGHHSA-N	526.225	5.338	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCc1cccc(Cl)c1	409333210	JCJLIZNUAMBRFW-HQDYHJHZSA-N	670.931	7.274	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc(Cl)cc1	409364153	VLRYUWQMCKGREY-ZDLGFXPLSA-N	503.621	7.508	50	40	KKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(OC)c3o2)cc1OC	409369871	GUCZLQPIMIFINM-BTQGWNRHSA-N	509.784	5.807	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1	409373691	SSPACOWIUFAMKL-OHUYPAJKSA-N	569.455	7.116	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(F)cc4)c(I)c3)[nH]c2c1	409392502	PTFOXLWPJKQABT-PXNMLYILSA-N	651.217	6.563	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409396365	XZIWYPRJQWDEKS-UHFFFAOYSA-N	669.732	8.136	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396867	CEEKWNLVUBSHQS-UHFFFAOYSA-N	647.869	7.151	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3cccc([N+](=O)[O-])c3)o2)cc1	409400071	BHMUVFYJUUWJJJ-OJYCWLPVSA-N	607.667	6.583	50	40	KKGB	
CCOC(=O)COc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409402070	IZUFHKDGNPGWPK-MJXLXAJKSA-N	717.411	6.896	50	40	KKGB	
COc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)ccnc2OC)c(OC)n1	521335582	AQBMEINUKOFPEE-UHFFFAOYSA-N	614.622	5.686	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	1529544804	OCHDWFJWSQGISA-YPAGDCKQSA-N	704.252	7.350	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccccc2Cl)cc1Br	1529547434	LBHIGORIAIWBDM-RZNGARSMSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1	1529547901	RIOYFNQISOJRTF-MKEMXLLOSA-N	781.442	5.657	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1	1817348	QZTAKKBBFNQRJO-STBIYBPSSA-N	528.638	5.691	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC3=C2C(=O)CCC3)cc1	2312109	PNQSTTKQENCUSN-VWLOTQADSA-N	508.043	5.848	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl	2334891	DKBHUOLZNVRAMZ-UVHMKAGCSA-N	516.841	6.137	50	40	KKGB	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2)c1	2640118	ZXTVWVPBJFXLIW-UHFFFAOYSA-N	529.496	5.104	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)cc1OCc1ccc(Br)cc1	4196310	HKWMJSWCYSUXMP-YPXUMCKCSA-N	691.996	6.794	50	40	KKGB	
CCCCCCCCCCCCC(=O)N/N=C/c1cc(OCC)cc(/C=N/NC(=O)CCCCCCCCCCCC)c1O	8399428	KMRGHMQBQZCQLK-UDEUAJILSA-N	614.916	9.313	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2)NC(N)=C(c2nc(-c3ccccc3)cs2)C12CCCCC2	8856471	HJDKELSYCPEFME-UHFFFAOYSA-N	513.692	6.098	50	40	KKGB	
CC/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1	9273093	OUPKQVVLMMIZKI-NFFVHWSESA-N	506.031	5.624	50	40	KKGB	
N#CC(C#N)=C(C1CC1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12	9380043	VJZCKEQNVPBUPV-CFNXAKABSA-N	502.017	6.961	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccccc2)cc1	12273754	SQXLZUORQCZRJM-IEQIIXMPSA-N	511.603	5.237	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccco1	20136739	NXLYWFZSFMVANJ-VWLOTQADSA-N	527.646	5.973	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccccn2)cc1)S(=O)(=O)c1ccccc1	20232354	UJAJQBGTIQWKQK-UXHLAJHPSA-N	519.026	5.203	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1	20764918	OEDXKZJBAHUGMN-LQKURTRISA-N	511.416	5.898	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1	59333204	XONKHBNPCGNUNI-XLNRJJMWSA-N	515.444	6.252	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1	59647242	KJGMZLUMVGTHMF-XKJRVUDJSA-N	561.413	5.336	50	40	KKGB	
C[C@@]12CC[C@@H](OC(=O)COc3ccc(N(CCCl)CCCl)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12	95670473	YMLNFFIBJFJMPJ-ABVZGAKYSA-N	579.609	6.173	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	97950496	JTNSVINVFPOUGG-QHCPKHFHSA-N	530.477	6.403	50	40	KKGB	
Cc1cccc(C(=O)N[C@H](C(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(C)C)c1	97972281	UTCSSTMFUMIOKK-APLZKPFRSA-N	535.475	6.210	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccccc2F)cc1	100139200	LFOGVLGNAXLRPD-XICOUIIWSA-N	581.669	6.212	50	40	KKGB	
COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I	100293922	HTNJFRGPTPOJDG-VGOFMYFVSA-N	558.157	5.067	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1	100351178	WSVWCBFUKNTJPS-GOJREDGKSA-N	606.748	6.571	50	40	KKGB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(/C=C(\C#N)c4nc5ccccc5s4)cc3)cc2)C1	100816526	JZHXFMAWMIPFBY-LBZPCQTCSA-N	557.697	6.246	50	40	KKGB	
N#CS[C@H](C(=O)c1ccc(Br)cc1)[C@H](Nc1ccccc1)c1ccc(Br)cc1	104808078	VGXKBMHGGGJAIO-IRLDBZIGSA-N	516.258	6.831	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Br)cc1	105578688	OMOXZNLYAIALOO-WKULSOCRSA-N	621.313	6.341	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)cc1	112254265	YWIZEEOWLIPFBX-QLJGTJTISA-N	610.497	5.898	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CI)CC[C@]4(C)[C@H]3CC[C@@]21C	118930522	UZTFVVKXFMOMLY-DVNBGNEZSA-N	556.613	8.455	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CBr)CC[C@]4(C)[C@H]3CC[C@@]21C	123226258	VJBCNYHZXKGYLM-MSKYUDLASA-N	509.613	8.414	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI	150341197	UXFIGGWFHDAMOO-UHFFFAOYSA-N	624.019	7.456	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2c(C)cc(I)cc2C)ccc1OC(=O)c1ccc(Br)cc1	150385771	MHLPRTNRHKFKEG-XODNFHPESA-N	637.268	5.427	50	40	KKGB	
Cc1ccc(OC(=O)c2ccc([Si](C)(C)O[Si](C)(C)c3ccc(C(=O)Oc4ccc(C)cc4)cc3)cc2)cc1	253565993	IKQDLWMRVAUBJZ-UHFFFAOYSA-N	554.791	6.283	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)ccc1OCc1ccccc1	408538366	LQAGYBLOQDSYQW-VULFUBBASA-N	587.503	8.323	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	408541498	ZSRLOPAXBIQSGS-HWIUFGAZSA-N	597.550	7.549	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c(C#N)c1C	408547585	ZDRBEWCFEJPHJX-DJKKODMXSA-N	722.342	6.612	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1	408553276	NLANPEBCDHIUJE-RAWMCFOBSA-N	566.195	5.446	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408555269	WSFKGMCFDYHXIA-OHUIHDMLSA-N	589.195	6.556	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1cccc2ccccc12	408569006	LXOHOLDTJIBPLN-FDAWAROLSA-N	544.698	6.435	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccccc1F	408570440	VBWFYDKPIVCBBI-MFOYZWKCSA-N	510.338	6.645	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc(Cl)c1OCc1ccccc1	408603707	GWMFLMQRQDSPBP-NRFANRHFSA-N	508.018	5.376	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=C(Cc2ccccc2)Cc2ccccc2)cc1)S(=O)(=O)c1ccccc1	408727982	HFXCVIRSYSTTOT-UHFFFAOYSA-N	622.190	7.615	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408743422	ACDRTFLJTOIJKR-SXGWCWSVSA-N	638.643	6.740	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	408752005	FINCZKJKBFSGTE-LFIBNONCSA-N	566.260	6.378	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1OC	408754724	HHBOIDXOFYJTMF-JYRVWZFOSA-N	527.156	5.007	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408765174	WZQAOZCXIZOMDY-DPNNOFEESA-N	695.535	5.384	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1	408785350	WQXSZLFBWHBFID-MOSHPQCFSA-N	539.401	6.510	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(F)cc1	408793551	FRYDQRQEXGKSME-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(I)cc2)cc1	408793716	GIBHXDYEQMALAU-XDHOZWIPSA-N	573.228	6.487	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc2ccccc2c1	408794399	SESUYHNAYDGEJD-WSDLNYQXSA-N	547.836	7.389	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408801805	BVQJXCUUACNQCL-NHFJDJAPSA-N	545.038	8.197	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccccc1F	408807698	DRCFHLRQDVXAEU-XYGWBWBKSA-N	500.570	5.764	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408811037	JXWBRJQXFCPCOV-FYJGNVAPSA-N	561.863	7.697	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1cccc2ccccc12	408813254	QKZJPZYHJZCCSK-BKUYFWCQSA-N	531.381	6.875	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2c(C)ccc3ccccc23)cc1	408817010	ZLFXNSITOMPIFR-LFVJCYFKSA-N	525.446	7.598	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)cc1	408821416	HCXWGFYKZITPAB-JJFYIABZSA-N	532.394	5.140	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)o2)cc1	408822220	LGABSEJEQRYJGQ-QJOMJCCJSA-N	552.096	5.988	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC	408833403	JWGRCKRCTMARIW-VGOFMYFVSA-N	507.768	5.239	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OC	408834246	UCGUHYZANNQJLV-UDWIEESQSA-N	507.384	5.899	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408836974	XJYPVFCYACQBNV-KOEQRZSOSA-N	613.928	9.504	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	408837521	HRGBWZDXIFXTNM-NQDWYVKHSA-N	571.702	6.957	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408838942	KNGNCOZNOURVGX-KPGMTVGESA-N	644.021	6.607	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408839693	CEGRZTBRHWMONJ-FMFFXOCNSA-N	636.568	6.081	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(Cl)cc1	408842212	NVGHYXJGGHDPRM-IIHBXENTSA-N	653.908	7.602	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(I)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842934	LZHLWDYYFZHNRX-ATZGPIRCSA-N	664.956	8.155	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)c1	408845187	PHWJHFFMNHFBIM-ATZGPIRCSA-N	554.119	7.995	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408861757	AFVHWFKXEWTVFR-MWBNBJEGSA-N	645.059	5.722	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2cc(C)ccc2C)cc1	408864577	XUCKQMVXKHSESZ-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	408868870	NXMWOHFIBPGTHR-HNSNBQBZSA-N	621.115	5.232	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OC(=O)c1ccccc1	408889045	BBCKJBYDQZVQJX-GZTJUZNOSA-N	560.231	6.919	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Br)c(C)c1	408889095	DOQKNRRTGUYZRM-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408896902	URRZPELCDQLTCO-WLRTZDKTSA-N	667.212	7.217	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904954	QYWJGXQDORYMFK-ZRGSRPPYSA-N	575.746	5.942	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1	408924805	OKYCHRJXDSHCBT-GZTJUZNOSA-N	608.392	5.740	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1	408954195	YTRFPGFRCZQHED-MUUNZHRXSA-N	641.577	5.766	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)c(OC)c1	408954921	NRFSDEGHOFERKP-XESRJCMYSA-N	687.149	5.810	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2I)cc1	408965638	WRUNCXZBVLQMHF-VPUKRXIYSA-N	694.185	5.956	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C)cc1	408983467	MHCPSANTQKJAMI-JMIUGGIZSA-N	525.830	6.853	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1Cl	408985934	YVBQAXGCFGSDDL-IUXPMGMMSA-N	689.118	7.636	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409001100	GTGWGBPXKSKZOF-VNODALHLSA-N	576.484	6.285	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccccc1	409003840	VKIKROVJECJKOY-UXHLAJHPSA-N	542.389	5.685	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	409013370	JZBKWINPHZWWCA-NAWFDXIMSA-N	550.870	6.355	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl	409019818	XPLBWCPPNIGLKZ-JFFJSXPNSA-N	510.421	5.453	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1	409021759	XPHXMKSTZAJGRG-NUJZUDFISA-N	524.802	5.759	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc(Cl)ccc1Cl	409027163	BCIOMWUQYHVUNW-KIBLKLHPSA-N	535.236	5.477	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc(Cl)cc1Cl	409029832	BPHQTEASENNYGA-KVAAJVFYSA-N	603.531	8.212	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc2c(c1)OCO2	409033128	DRZPBJOKAYRPAV-FZKWRIDDSA-N	545.595	6.372	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1cccc2ccccc12	409050400	VIXXCLNMNGDYDE-ICUTVXMZSA-N	537.619	7.407	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409066981	NCGMDWZQDCOZAI-RIYZIHGNSA-N	664.681	7.197	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccc(Cl)cc1	409098162	NSJUVKXDTUXORB-XMMPIXPASA-N	541.785	5.637	50	40	KKGB	
Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Br)c1)C(C#N)=C(N)O2	409134075	VQBOVNMETVZXRE-IBGZPJMESA-N	506.187	5.585	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)c2)cc1Cl	409164485	JGBOTDGPLCCXLD-KVSWJAHQSA-N	533.799	5.062	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c1	409188473	ZOKCTEBHPQXTBT-NDENLUEZSA-N	540.255	6.953	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1ccc(C)cc1	409220355	XTUICCMWQGMJRP-UHFFFAOYSA-N	611.651	5.655	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	409226218	PWICSNQCUHELRD-MHWRWJLKSA-N	545.220	6.319	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OCC)c3)c2)cc1OCC	409226778	WVXDBEKAWPZFDQ-WLQMONLISA-N	666.687	6.426	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409247992	FMWKCBQSTKZWDL-KULFSUQXSA-N	660.583	7.959	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br	409257305	RZRVQPWITQXDCX-HQDYHJHZSA-N	640.563	7.406	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409266492	XETNDNYRSAZNLR-PPDIBHTLSA-N	575.803	5.109	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1OCC	409310590	VYHOHATYQYJQAR-MWLSYYOVSA-N	508.958	5.345	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)ccc1OCc1ccccc1	409312115	JMCDGQVUGPBPOX-NKHVPTTDSA-N	707.246	8.839	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OCC	409320479	BIUFYRYWBPMWFK-UHBFCERESA-N	588.886	6.071	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1OCC	409336431	SKYDKEACZZGGOY-QRQIAZFYSA-N	511.416	5.980	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Br)cc1	409368971	VQLCIHOITDNIKI-PPDIBHTLSA-N	634.177	5.860	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1	409369892	HDRUIUJRJZWTBV-MUXKCCDJSA-N	599.334	5.496	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br	409372186	CUWPOFBWYDTHIJ-AUWJEWJLSA-N	519.193	5.402	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409379900	BGMXVUGDMGWYPN-MUXKCCDJSA-N	560.832	5.291	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409394918	HLTDMKGKGBPGLG-UHFFFAOYSA-N	711.794	8.014	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)c1	409395349	MNOOAMOXEQLEHC-UHFFFAOYSA-N	683.759	8.444	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395662	QKTGNIBOKGNZCY-UHFFFAOYSA-N	818.700	8.693	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409396069	VYOPMQVGMVCWON-UHFFFAOYSA-N	787.202	7.676	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1	409397728	NHRCGTBDJMNMEB-UHFFFAOYSA-N	513.937	6.073	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C(F)(F)F)cccc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409398018	QCKZTSJIJRRKND-UHFFFAOYSA-N	680.079	8.296	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398122	QUIXQGISRTTZLA-UHFFFAOYSA-N	662.924	7.260	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc(C)c1	409400266	CKFGJMDYMCGHFW-UHFFFAOYSA-N	598.099	7.579	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c([N+](=O)[O-])c3)o2)cc1	409401044	GCSXXBDSDONLAP-RODHXAHZSA-N	676.513	7.263	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(Br)cc1Br	409402952	XVNFGWXAXOYTMO-ADJDCTSUSA-N	741.864	8.796	50	40	KKGB	
CCOC(=O)[C@@H](C)n1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409404225	PMCJCODGYNUQEI-FZABBCPUSA-N	552.631	6.109	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1cccc(F)c1	409406896	XXMMKRPEBXAFOV-FRKGHFGRSA-N	739.436	8.672	50	40	KKGB	
N#C/C(=C(/NC(=O)c1ccccc1)SCc1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl	2295523	NTMUGDRRYNWZRE-XOHYTFRVSA-N	537.084	7.795	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	2670895	CDRSARWCCRDVNK-SFQUDFHCSA-N	535.379	6.210	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1	2706511	FDRONKUHESTWSJ-VULFUBBASA-N	571.298	5.702	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	2739010	VMKFDOASBXRIOF-XZVOTRMESA-N	548.672	6.303	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1	2785230	DDTVWSFQSNLEBE-DEDYPNTBSA-N	541.357	6.065	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(Br)c2)cc1	3166454	XRAGAITVQUHWCB-OUPLGOGSSA-N	519.443	5.217	50	40	KKGB	
O=C(O)c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	6445690	XAXWAUYMIPGHTD-LNRUOBPOSA-N	559.869	7.094	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	8411382	LGGQUIFNPWHYGW-DEOSSOPVSA-N	504.612	5.594	50	40	KKGB	
N#CC1=C2SCN(c3ccccc3F)CN2C(=O)C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	12251110	YQIKWZGHMRFLDT-JOCHJYFZSA-N	506.002	6.278	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC[C@H]1CCCO1	16804867	YFBRXZZHXXBQNM-DPJFAKJTSA-N	522.580	5.460	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1	19948725	KSOFWNIQHMWUIF-ZTKZIYFRSA-N	506.672	5.002	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2cccc(Cl)c2C)cc1	20207063	ZKMPIWPKIVFSCM-UHFFFAOYSA-N	504.096	5.861	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1	59887190	ACDPQIFVPFNLOZ-VWJSQJICSA-N	601.434	5.571	50	40	KKGB	
CCOc1ccc(-c2csc(-c3cc4ccc(O)cc4o/c3=N\NC(=O)c3ccccc3Br)n2)cc1	97957750	YYSYRCCAPAXYOV-ZXPTYKNPSA-N	562.445	6.336	50	40	KKGB	
COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)C2CCCCC2)c(OC)c1	97965799	DDOIYIBWQPVDBI-PXLXIMEGSA-N	544.629	6.242	50	40	KKGB	
CCc1cccc(CC)c1-n1c(SCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)nnc1-c1ccc(OC)cc1	97980903	GJMUNMLYMBDJIS-BBUXEPKYSA-N	670.235	7.551	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCOCC1	98050617	RPKFLXZAMGAPFG-ZXTWZYEISA-N	628.976	6.868	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1	100042726	WGKXZIJIRMFKNU-ZCZCTQKPSA-N	618.325	6.887	50	40	KKGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1)c1ccc2c(c1)OCO2	100062161	XZPHCPOTGWXJFQ-KALUYTGESA-N	564.161	5.063	50	40	KKGB	biogenic,in-vitro
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	100239951	CBHAVIWTYBIRSD-FMFFXOCNSA-N	604.798	6.177	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)S(=O)(=O)c2ccc(SC)cc2)cc1	100240680	XODIIAPSZKRFIN-OCSSWDANSA-N	599.134	5.363	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@H]1c1ccc(C)cc1	101563641	QRKHXSOPMKVWND-MUUNZHRXSA-N	537.685	6.326	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	102808205	HLORUOFRYWWGMC-RUZDIDTESA-N	552.578	6.313	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccc(F)cc1	102933260	BFFBSQGWGAUSBM-LZYBPNLTSA-N	589.317	5.177	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	103885822	JSUYLWJRXXKKLH-GRSHGNNSSA-N	608.217	5.623	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	103895595	ZKYPFJIRWWDAKQ-VPUKRXIYSA-N	602.765	7.380	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C	104696709	NRFYGQCOVVFONY-VTPIHIAFSA-N	536.701	6.249	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	105437002	HYVIVCPJOWQTCY-FMFFXOCNSA-N	595.508	5.981	50	40	KKGB	
O=C(CN(C(=O)n1ccnc1)N(CC(=O)NC(c1ccccc1)c1ccccc1)c1nc2ccccc2o1)NC(c1ccccc1)c1ccccc1	150372518	HVPVZUNVKWKRKY-UHFFFAOYSA-N	689.776	6.528	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1)N2	150434100	LQZJYWUXBWEHRM-LAMIVESZSA-N	649.552	8.293	50	40	KKGB	
O=P(OC[C@H](Cl)CCl)(OC[C@@H](Br)CBr)OC[C@@H](Br)CBr	168825844	RAYIMXZLSRHMTK-XHNCKOQMSA-N	608.711	5.307	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408526619	CRTASQWRFOPYBW-XODNFHPESA-N	516.823	5.561	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)c(C(=O)OCC)c1C	408546641	KWNDUMGOAWDQIG-FYJGNVAPSA-N	596.499	6.470	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408552976	MHMCCKQUAQTHON-BCHBDCPOSA-N	511.192	6.082	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408579365	GGZFCRHXHUXMSX-RQZCQDPDSA-N	537.668	8.451	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	408584009	ZHBARYDGCRERRA-XDHOZWIPSA-N	561.397	5.449	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	408599740	ZFFSLKHRHUCAPD-RWPZCVJISA-N	544.287	6.852	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408637737	AXTVASFYRJNZAA-YCAMKHIRSA-N	771.673	7.028	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408637819	BESSZXYAIISSIO-HNNXBMFYSA-N	688.005	8.794	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408644279	QVDXOBHTLSZEEL-BJESRGMDSA-N	737.228	6.375	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408660155	WIXSGKRZULJALQ-ZTTYKKJNSA-N	793.690	6.340	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@H](Br)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Br)cc1	408676049	CSHRSYHCUKPVGM-VPUSJEBWSA-N	652.295	7.154	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408676884	NMQIWOORUKSQGQ-LQKURTRISA-N	553.413	5.309	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1ccc(C(=O)OC(C)C)cc1	408711663	DIORYBIFGWHJEC-VULFUBBASA-N	529.378	5.028	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccc(Cl)cc1	408719990	UPMCIGAOIIEHNQ-WUFVBDPGSA-N	531.999	5.307	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1ccccc1Cl	408725490	QCMINASMXYREOD-FIZMRQRYSA-N	505.840	5.967	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408726373	RBCGQBUQMJBWRB-JAIQZWGSSA-N	583.382	5.950	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(Br)c1OCc1cccc2ccccc12	408728192	JAEVTOQSKKWMLR-FDAWAROLSA-N	547.449	6.281	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)ccc1I	408747208	KNSHYTHFKHDCAR-FJEPWZHXSA-N	645.291	6.567	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)ccc1I	408747427	NTWMPUVWRAHWFA-WKULSOCRSA-N	615.265	6.558	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408752661	FWVUULISQBKAHL-ALQBTCKLSA-N	659.643	6.917	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408775860	VRJPYVWBDXHYTH-PNQUVVCRSA-N	578.827	6.320	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1C#N	408790982	SGHNKNBZOVWUTP-SRZZPIQSSA-N	549.368	5.605	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792106	HWXUIDSIGHFITN-YDZHTSKRSA-N	663.322	7.823	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408799545	ZLZSCLUROBTRGA-GIDUJCDVSA-N	720.088	7.235	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1	408812209	CRWRDTSVCVWWJJ-FXMZOFOKSA-N	735.541	7.401	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1Cl	408814215	RZXSVZJTSYGCDC-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408822532	BBRZZUWTABCLQH-ICUTVXMZSA-N	636.730	6.169	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408828171	DDGOLSBHCGDBSB-RCCKNPSSSA-N	519.395	6.147	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408831502	OBTCOYGOFQDCSW-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408833874	WEJLYHYPHVEJKH-KULFSUQXSA-N	751.483	7.015	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)o2)Cc2ccc(Cl)cc2Cl)cc1	408834261	UTBGAEYSXXVNCZ-BKUYFWCQSA-N	614.938	7.485	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2	408837618	JWXABKGBQZLIQK-VTNSRFBWSA-N	537.563	5.303	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1	408838341	VFCDOBMENDWXQK-ILFYHVLKSA-N	695.241	7.064	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cn(Cc5cccc6ccccc56)c5ccccc45)cc3)cs2)cc1	408841856	IBNBGKNOGLYRPQ-BBUXEPKYSA-N	591.740	8.782	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408842201	IWQKKCGTICJPSM-ODQASSKESA-N	721.862	8.947	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(C)c1OCc1ccc(Br)cc1	408844512	JUAYVPPFDOYZRW-MFKUBSTISA-N	511.419	7.344	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1cc2ccccc2o1	408854054	WOYSHYUVTPCIGY-ZMFRSBBQSA-N	575.200	6.143	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)OCCO1	408871466	GSZJQPORHGMISO-MZJWZYIUSA-N	562.258	5.547	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408876955	RHXJFTXVKSEFCD-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c(Br)c1	408887332	PQICUHXDJQTAKB-LICLKQGHSA-N	595.118	7.952	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1Br	408890629	WTGZPMZQGUCIHA-KOEQRZSOSA-N	569.455	7.161	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408895904	WJKUJHOSOUZATQ-WOJGMQOQSA-N	622.868	5.883	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1cccc2ccccc12	408943564	HVILYHHYSWWNIL-DHUJRADRSA-N	648.785	6.032	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408947799	DDUMOLZOUZEXTR-JAIQZWGSSA-N	718.289	6.130	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408949769	IUKCXMPXVGDPQP-JMIUGGIZSA-N	624.289	6.446	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(OC)c1	408955364	OOLGYDKHCXVHSH-IQBIKIAUSA-N	678.573	6.034	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)c(OC)c1	408957489	USNZANUOQLHORJ-UIGQDENISA-N	655.535	5.610	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408969054	GLBASUCLIXXSEP-OBWCSGEISA-N	659.397	7.524	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	408969574	QHDFXTVOABMHDE-BTIZVNFRSA-N	608.478	5.685	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(OC)c1	408970500	ALNJUBPBNXIYDY-XNNPNIKDSA-N	585.532	5.493	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c[nH]c2ccccc12	408970641	JNTJHCVQIXKUFM-QYFSTLSFSA-N	523.420	5.120	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408973437	SIRVJPSWMWFANL-BIQXANFGSA-N	669.403	6.980	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1	408973593	UOMIXOCAZXUNBL-KDQSNTAMSA-N	601.487	5.929	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc2ccccc2c1	408993734	FKJDQIBXUJRVEC-JVWAILMASA-N	506.343	5.787	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409027415	HOLLREQGMMBTQA-HNSNBQBZSA-N	669.598	5.618	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409044041	AOYLOESUOOJZBP-LZYBPNLTSA-N	591.643	6.898	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409056997	OEGLKWCNKBUHBD-UDWIEESQSA-N	524.358	5.690	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	409067353	QIDNRIHAZGNLRA-RVDMUPIBSA-N	507.782	5.960	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409074873	NKMREPHMAXQULZ-VXLYETTFSA-N	589.364	6.689	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cccc(Br)c1	409087493	ULIAGQWDBBMWSB-NUJZUDFISA-N	711.135	7.154	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccc(Br)cc1	409099352	QJOCNKOQBOYXCL-XMMPIXPASA-N	647.263	5.978	50	40	KKGB	
Cc1[nH]nc2c1[C@@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c1)C(C#N)=C(N)O2	409141775	KAUCVDGRIQGZBQ-SFHVURJKSA-N	550.638	5.694	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Br)cc1	409147164	VAXDXKYWIMTOKP-OAQYLSRUSA-N	560.242	5.614	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409147726	YUFWAAVWMTZNEZ-MZJWZYIUSA-N	546.805	5.681	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C(F)(F)F)c(OC)c2)cc1	409157285	UXTANSHYSYMRTF-AABVJFSESA-N	665.463	5.762	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc(C)c1	409200659	JHSYHTDGNAFXMV-MTJSOVHGSA-N	540.357	6.550	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc([N+](=O)[O-])cc1	409212766	QYYVJKXZARLZFS-MFOYZWKCSA-N	551.167	7.149	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1I	409216378	KNTUDXVOCQFFTI-QPEQYQDCSA-N	546.102	5.267	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409243829	UWNYWRCJJMDFID-HAHDFKILSA-N	564.436	5.991	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409262635	JFULXAFEQFITNJ-CXUHLZMHSA-N	564.347	6.584	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)c1	409263590	IAHKNXFABQNULO-VCHYOVAHSA-N	617.725	7.045	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2Cl)cc1	409264404	FPMAHIIDSNQFNQ-YVLHZVERSA-N	647.707	6.215	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1OCC	409305788	XKFWISRUBZETNN-NUJZUDFISA-N	655.181	7.114	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1OC	409313321	BLQKMMWNHMQFDR-DICXZTSXSA-N	513.388	5.208	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409322624	MJCFWOZFGPZRSA-MNDYBZJGSA-N	604.885	5.690	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409331125	CRMGXIZCEDTAOA-MIXAMLLLSA-N	561.056	5.458	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	409372738	IGIHKPJKLRKMBB-AMVVHIIESA-N	541.804	6.746	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c(OC)c1	409383762	FOPSPVAYHNVKRA-KKMKTNMSSA-N	676.676	5.909	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)c1	409394888	HCVRBPFVOKEPCT-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC(=O)OCC	409402010	IVVLHGGHXVWSDV-OJYCWLPVSA-N	599.684	6.099	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1O[C@@H](C)C(=O)O	409403226	MEPNWOWWHAGQIR-CZEFVEKGSA-N	610.461	5.653	50	40	KKGB	
OCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	642882925	RRURJABHADIKGW-BYPYZUCNSA-N	568.058	5.937	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1	1529547890	QYOOESBSCWFBHZ-MMVATDKPSA-N	716.010	5.295	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc(Br)cc1	1529548402	FPBNLDDDHDPWPI-AYSITGFNSA-N	889.348	6.122	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)ccc1OC(C)=O	1761846	DUWPCZDUFVDSAG-WKULSOCRSA-N	550.040	5.072	50	40	KKGB	
Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)c1	1790504	HUZSWTMLNSBSTB-UZEPBSNMSA-N	502.039	5.434	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br)c1ccncc1	3101644	GSQKCVKRNMAGIX-OPEKNORGSA-N	582.046	5.352	50	40	KKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](OC(C)=O)[C@H](Br)[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C	4293081	JGVYFYLJHISGAE-XIFOAKHLSA-N	511.541	6.540	50	40	KKGB	
CCCOc1ccc(C(=O)[C@H](CCCCC[C@H](CN(CCCl)CCCl)C(=O)c2ccc(OCCC)cc2)CN(CCCl)CCCl)cc1	8424728	SZNSPKKJIWTTAN-CZNDPXEESA-N	732.661	9.072	50	40	KKGB	
COc1ccccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C(\C)c2ccc(F)cc2)n1-c1ccccc1	13882040	HUPKJNNYKSULDO-ZTLXJKOPSA-N	518.618	5.048	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	20233162	MCNGBCDEQQVTDZ-RPPGKUMJSA-N	514.793	5.132	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(Br)ccc1OCc1ccccc1	30840620	ACDGWGGDQCJSDJ-YKQZZPSBSA-N	515.407	6.224	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(OCC)c2)c(C(=O)OCC)c1C	33643156	FBBBGXCSMKDDJO-XDHOZWIPSA-N	513.612	5.315	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1Cl	59297053	NNLCNTJIIOGEHJ-XDHOZWIPSA-N	500.904	6.882	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)NCCCn1ccnc1	97947244	JRDDVVOHUPZJQE-ITYLOYPMSA-N	563.061	6.082	50	40	KKGB	
CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C(/CNC(=O)c2ccccc2Br)c2ccccc2)C1	97962775	GAPUBADJNGRSLI-LMQTZDNFSA-N	583.571	5.689	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1C	100119152	AGEZLHGITGXGDR-KCSSXMTESA-N	563.123	6.094	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)c2C)cc1C	100119267	CGWHNCOCILMUSF-KCSSXMTESA-N	563.123	6.094	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1C	100123804	ZVCLDMZYAGNYTD-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292938	YLVJGXVPVUXXSY-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)c1ccccc1Cl	100853791	RUGHSXVSKXNLFQ-DICXZTSXSA-N	541.862	5.378	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1	100991391	JLCXIRLXPSRUMP-HVBJHMBASA-N	526.420	6.506	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)ccc3N[C@H]2c2ccccc2Br)[C@H]1Cl	102682164	RBCMVAUBLNSVGY-VXOXUXMCSA-N	550.305	8.049	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC(C)=C2C(=O)Nc2ccccc2)cc1	102719342	YQJRIOAZPITAGR-NDEPHWFRSA-N	559.091	6.445	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	103889127	LEIKCXGLMHHAOT-YVLHZVERSA-N	536.242	7.824	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	104402962	CQSTVOIFEJRZGX-XODNFHPESA-N	599.252	6.348	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(I)cc3)c3ccccc23)cc1	104403321	NLTFPQPSWWIGKC-LQKURTRISA-N	537.401	5.765	50	40	KKGB	
CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341768	DCUSCFXMZIVRNI-QGZVFWFLSA-N	684.403	11.400	50	40	KKGB	
O=C(NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(COc2ccc(Cl)cc2)cc1	150452721	SLIHHCBQAGBOOI-LJAQVGFWSA-N	637.545	5.405	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2I)cc1	164337652	YPLKZFICUSRILK-UUYOSTAYSA-N	687.319	6.530	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)oc12	260572347	UUZKQAHPHJJFFQ-WODFAGORSA-N	526.475	6.777	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540258	PIIVJNOFQALRKE-HQDYHJHZSA-N	668.382	7.541	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3)cc2Br)c(C#N)c1C	408546271	FSEDNHXPVNDBLU-KEBDBYFISA-N	579.472	6.174	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552542	QRBJBPKYNNKNGU-CHHVJCJISA-N	656.691	6.823	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1cccc2ccccc12	408570444	VFAVQTUYWNGALB-DPNNOFEESA-N	637.621	7.588	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2OC)cc1Cl	408603777	HDSRRGXNVIOQQT-YBFXNURJSA-N	516.985	5.932	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408642776	NVJPSTNAUAPGPR-BDXSIMOUSA-N	631.148	5.464	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408643099	ORVOLDAQMJPETF-OUWXYEHJSA-N	535.855	5.652	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408643595	GGZVVUBCXPMHAS-ITXIHOPLSA-N	755.268	6.292	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408682118	IXKUADMZOLWXGR-IXFQNSDBSA-N	646.119	5.237	50	40	KKGB	
N#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I	408744535	FWPUCDTWXDZLBE-GHXNOFRVSA-N	542.558	5.155	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408744783	MXJNSVZIPLTTIS-IUXPMGMMSA-N	550.667	7.842	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(I)c2)c1	408744806	NBUNKJBDVCAJPF-UNOMPAQXSA-N	512.322	5.863	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)ccc1I	408747420	NQQCFLIVKHAEKM-OPEKNORGSA-N	570.200	5.373	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408748297	BMYFNGZUOFCLQT-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408758517	LOMMESYIEZPTLL-IBBHUPRXSA-N	572.286	7.651	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1cccc(C)c1	408761484	FYJZDMOTWKHUAF-GRSHGNNSSA-N	556.254	6.653	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc2ccccc12	408788566	LEYQMFCJGBUFCX-MFKUBSTISA-N	555.472	7.743	50	40	KKGB	
CNc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1I	408791606	ZJUHYAZMLOHIRE-AUWJEWJLSA-N	587.199	5.270	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1	408791932	FKXRFQZYISBWMW-UDWIEESQSA-N	600.384	5.740	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408803076	KZBUWCQXBFQQPV-LFVJCYFKSA-N	512.968	7.183	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1	408816772	KCUCZKQXVBFXDJ-GRSHGNNSSA-N	501.797	6.458	50	40	KKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408819815	UCSWDXOZEVSTGV-JHAUMMSCSA-N	532.276	6.392	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)c(OC)cc1Cl	408826927	UGQGVZSWKKMUTD-DJKKODMXSA-N	527.404	6.452	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OCc3cccc(Cl)c3)cc2)cc1	408832829	RSDWRTGKHSUGOL-NLRVBDNBSA-N	509.005	7.352	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408832945	SIGSGGMQNRBNNJ-BUVRLJJBSA-N	662.924	8.113	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Br)c3)o2)cc1	408836560	SLAFHLHPBCQTAU-ACXHZZMFSA-N	643.947	5.484	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4OC(=O)c4sc5ccccc5c4Cl)cc3)sc2c1	408842933	KMUXOTVGOXGZDL-KULFSUQXSA-N	658.588	8.967	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(C)c1	408845501	HJMJYXTZVIHFNR-MNDYBZJGSA-N	582.292	7.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OCC	408880766	INAFZPTWLUHRJQ-NTUHNPAUSA-N	541.729	5.196	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408886671	LEZDYOWTAATSMA-VGOFMYFVSA-N	582.805	5.877	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1cccc2ccccc12	408889476	HGLRSIJELAQKSJ-VULFUBBASA-N	535.310	5.975	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccc(F)cc1	408891069	KUJUXPIZILNCHS-CXUHLZMHSA-N	550.211	7.028	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)S(=O)(=O)c1ccccc1	408896430	YLNUTIBKAVMHBO-MUFRIFMGSA-N	556.475	5.142	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccccc3Br)c2C)ccc1Br	408903944	BMOICSSMIRUSOU-MSXFZWOLSA-N	504.226	6.083	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccccc1Cl	408904469	JYZBLCYRIJMOAC-QDTIIGTASA-N	551.268	7.198	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1cccc(F)c1	408909628	HTTHUXOMNLPYLW-HNSNBQBZSA-N	577.450	5.952	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Br)cc1	408925267	QVDLJUVSORXXMJ-QGOAFFKASA-N	527.396	5.080	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)cc1	408926737	XXRLKLBDQVNZOL-FMFFXOCNSA-N	593.746	5.796	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	408939024	ATTJKGHLNUVUHA-HHHXNRCGSA-N	696.440	6.764	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(I)cc2)c(I)c1	408940840	DAPDCQJBFXKEMW-NDEPHWFRSA-N	810.452	5.360	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OCc2cccc3ccccc23)c1	408945571	LBGNQQPLADBCLS-JGCGQSQUSA-N	608.720	5.304	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCc1ccc(Cl)cc1	408961873	PAAXOZAPNIVTNV-WKULSOCRSA-N	519.941	6.074	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408967993	YJSXVYPAOHTCGP-WKULSOCRSA-N	591.361	6.442	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408969447	NPYFDFZPPVTUKV-CRHPNJMXSA-N	698.239	6.728	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408970964	BNDBPWUEELOGRX-WMOVZUESSA-N	748.299	7.743	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408973440	SIRVJPSWMWFANL-KOPMUBDUSA-N	669.403	6.980	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccc2c(c1)OCO2	408991281	QBAOVQXIGCLHSG-WSDLNYQXSA-N	516.981	6.239	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(I)cc1	408998414	LTDJVIUZFHXACX-IEDNCLQISA-N	590.465	5.710	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)cc1	409007523	XKCWWKUTQIUGIS-YRHXZRGFSA-N	520.541	5.297	50	40	KKGB	
CCOc1cc(C=C(C#N)C#N)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409008360	WMHMGQCBVZJECX-UHFFFAOYSA-N	533.220	5.675	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409010069	BDMWUNFMNMDHBA-IZYHBKOJSA-N	606.550	7.251	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1cc2cc(Cl)ccc2o1	409023364	LITHWYWFMNKVHM-PPDIBHTLSA-N	565.194	6.687	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1O	409035157	JANZZKNHLYGRGW-LGJNPRDNSA-N	570.412	5.636	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1cccc2ccccc12	409047539	URNOMPOIQJOJPD-QLQYKETESA-N	584.701	8.058	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)OCO3	409094180	CRRSGWZXCGHJJS-JOCHJYFZSA-N	625.100	7.044	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc(F)c3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409125556	AXRKRMBENUAUIC-RUZDIDTESA-N	554.460	5.550	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409139613	OMWUKTYQPAXCAK-QLQYKETESA-N	612.151	7.035	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc3ccc(Cl)cc3Cl)o2)c(Br)c1	409157450	MSQQTLCSZJVTCV-XTEBPEFKSA-N	623.375	7.165	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1	409169965	RMMOBHPHIOOBLM-PNQUVVCRSA-N	622.303	5.488	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc2ccccc12	409181002	XSDRPNYWYFFKEH-CCVNUDIWSA-N	583.236	6.616	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Br)cc1	409202708	UCLNNFSPFZAUSD-ODLFYWEKSA-N	605.226	7.004	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccc(C)cc1	409204678	IBJZCAYUXJIFGY-ZMFRSBBQSA-N	579.232	5.714	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(Br)cc1	409229328	NJDFEXMTVHNXMN-UGHLTKRUSA-N	545.477	6.940	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409232026	NMJGTTRZMISAQG-MTJSOVHGSA-N	574.302	6.999	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1	409257079	NWUFBHBKHAHQSW-SFQUDFHCSA-N	510.775	5.666	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409258552	XZVBETKZFJTWQY-ZDLGFXPLSA-N	540.403	5.882	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409266598	KEMVUBFOEUZHBA-KEBDBYFISA-N	538.431	6.490	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)ccc1OCc1ccccc1	409322927	LVQDGAGSQWYCAD-LJUMEUDFSA-N	590.976	6.690	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Br)cc1	409353369	JUDNSEATRQAZDC-RPPGKUMJSA-N	644.101	6.168	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(C#N)cc1	409367605	FYPGWYNQYDUMQZ-OCKHKDLRSA-N	622.631	7.064	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409368508	ZRQZBMNVLJJDKJ-GXBUFBABSA-N	569.727	5.840	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1Br	409372199	MALXWBJDGXZHOY-ZMFRSBBQSA-N	599.732	5.206	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372371	WYEZQLNBBFIKIV-IDUWFGFVSA-N	532.163	6.902	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)Cc2ccc(Cl)cc2)c(C)c1	409373618	WQDSVBHDVGATFF-DBFSUHOCSA-N	552.911	5.913	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc5ccccc5c4)c(I)c3)[nH]c2c1	409374308	MCCCEPADZLJGEA-UUYOSTAYSA-N	667.288	7.877	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)cc1	409394826	GKWLSEDMFUFWCZ-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Cl)cc4c3-c3ccccc3)cc2OCC)cc1OCC	409396203	GJBHLJVZTCHTSO-UHFFFAOYSA-N	660.554	8.321	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409396745	AQTXMYJSKRVZJB-UHFFFAOYSA-N	600.444	7.118	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4F)c(Cl)c3)o2)cc1	409400399	CUGGBAWTRMRYLO-ADJDCTSUSA-N	649.506	7.493	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409402502	VYDSQYGCZSEVPA-VHFSBPNMSA-N	672.532	7.078	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccc(C)o1	1300405	FBONNFNLRAJRIA-MHZLTWQESA-N	563.079	6.265	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2	1825894	VHCWOONLNQGYNO-BIZUNTBRSA-N	508.647	5.292	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)nc3sc4c(c3c2=O)CCCC4)cc1	1879246	RPPZCXRITXHRGG-VFLNYLIXSA-N	557.528	6.184	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	3080118	LLDKIOQMNTXTGX-HHEDGFFESA-N	575.496	7.021	50	40	KKGB	
O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	3194002	QIGIYNWPIAYFNP-UHFFFAOYSA-N	524.451	5.277	50	40	KKGB	
C[N+]1=C([C@@H](I)[C@H](I)c2ccc(N)cc2)C(C)(C)c2ccccc21	4522479	UKMNWLCXOUGZHO-SJORKVTESA-N	531.199	5.255	50	40	KKGB	
C[C@@H]1C(=O)[C@H](Br)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C	5733769	RKDXAWVGESLWJN-KBISRJKLSA-N	505.625	8.830	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccccc1Cl	9668316	WSOOECWOBABMIE-VULFUBBASA-N	501.764	5.484	50	40	KKGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1	20189298	NYRUHUPBIVJKGD-QFIPXVFZSA-N	502.423	5.624	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccccc1Cl	20348477	BQZSRXNMLPPBEJ-DEOSSOPVSA-N	510.015	5.146	50	40	KKGB	
O=C1[C@H]([C@H](Br)[C@@]2(Br)C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1	95100229	KOMNALVZOLETHI-ZXRRJQOQSA-N	732.345	6.218	50	40	KKGB	
C/C(=N\NC(=O)c1cc(Cl)ccc1Cl)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965768	IZVFYTMVNQDQMW-OOEWDAAOSA-N	518.216	5.919	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	100128758	JYUJJTNRLZIJGG-FJEPWZHXSA-N	556.475	5.142	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)c(Cl)nc2c1	100366203	WKWKWFDXLFCZRZ-ASANCNTCSA-N	531.037	5.435	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1OCc1ccccc1F	100605428	WRAGRJVUDDADOK-KGENOOAVSA-N	532.527	5.734	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3c(Cl)cccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852158	WJLCJQNVJBENLX-ACXHZZMFSA-N	552.531	7.089	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccccc1Cl	100884766	SIEKYTYXELWUIT-YUMHPJSZSA-N	540.874	5.983	50	40	KKGB	
Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Br)cc2)C1=O	100989485	OGNORGYGGMXMBZ-YMGIJWJESA-N	552.881	6.476	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1cccc2ccccc12	102262468	UWIYWYHPBWSPKN-QRVIBDJDSA-N	618.427	6.666	50	40	KKGB	
CCc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(\C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1	102420211	ZPIJJBDUBDGOHB-NJBSEOMVSA-N	608.163	7.796	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)cc1COc1c(Cl)cc(Cl)cc1Cl	102440958	NWGAFKXSKRHNHJ-IURWMYGYSA-N	602.862	6.460	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccc(OC)cc2)=C(C)N1	102808406	ASDVEHLKSYJEPJ-HHHXNRCGSA-N	544.633	5.393	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	102810264	VXPBQXZEEXQFFE-MHZLTWQESA-N	547.055	6.494	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	104402941	JPXUVPAPTLNBKH-XODNFHPESA-N	552.252	6.506	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](C)SCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709464	GYIBMBVQJPPVBO-VCSTUZEHSA-N	541.717	6.692	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	112255489	XTRIWOOMKGYUSX-LMMISBPPSA-N	543.598	5.111	50	40	KKGB	
C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341156	FHHQRQZHRFATJI-GSVOUGTGSA-N	838.074	10.386	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342141	FNNFWWIWSWUHLJ-UWTATZPHSA-N	642.009	7.752	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3cccc4ccccc34)cc2Br)cc1	208454407	IYMCMFRDOLPHMS-LFVJCYFKSA-N	571.471	7.524	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	209605749	KTICWUQMLJGNMG-ZRGSRPPYSA-N	630.651	6.201	50	40	KKGB	
O=C(Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2)NNC(=S)Nc1ccccc1	245229196	QEBFEUMRSIGSBS-DOWMQLCMSA-N	557.166	5.233	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(OC)c1OCc1ccc(Br)cc1	408545182	ZJUJFSIQCMRUAP-UCQKPKSFSA-N	528.450	7.323	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408566543	AKLIBPQTWOSMLF-VVEOGCPPSA-N	689.424	7.193	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC	408568469	JKEUYRYQWWLIMS-VSRRSJTHSA-N	586.517	5.485	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408578766	ASHLPGKEOSUGTM-FRKPEAEDSA-N	527.662	8.995	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cccc(Cl)c1	408598454	ASZSKWONFTXSFY-IUXPMGMMSA-N	582.517	8.271	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408686285	RIBVMNBKJLRZIE-CPPNMTBBSA-N	645.573	5.438	50	40	KKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCc1ccccc1Cl	408691921	YAHGTCQXIOTAFT-ODLFYWEKSA-N	569.830	6.879	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccccc1	408732678	XHRHIRKOHOWNJL-GNUBZPRISA-N	531.999	5.307	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cccc2ccccc12	408748573	FJDNGKRCCBSXBX-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408750140	XQKSSNNHABRHRE-VULFUBBASA-N	643.297	5.292	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(Cl)c1	408762279	JXFDWMGSLVLJSC-SFQUDFHCSA-N	510.775	5.666	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O	408766059	YYSKEMRMDBHZCA-ZCTHSVRISA-N	581.691	5.746	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408787397	ZIRPGIXGMXLAHL-RSJFBHPNSA-N	540.715	6.770	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1	408787794	GJRBWVNFTZIQQO-YZSQISJMSA-N	534.568	6.097	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(I)cc1	408788914	GKZUOUMTQCTWLF-UDWIEESQSA-N	617.281	6.886	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	408795348	MDEXVLCNUNDDEI-LFVJCYFKSA-N	527.020	7.415	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1	408796032	OBKFPVPIJIIKLR-GZTJUZNOSA-N	512.747	6.135	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccccc1F	408797410	RSXCYXGYONNKGM-XDHOZWIPSA-N	572.374	5.962	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798555	VWCABPWMWMLIDF-OEAKJJBVSA-N	699.770	8.411	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408798860	XIBNDGJMJFZPLR-XDHOZWIPSA-N	590.301	7.678	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408799401	YZCXLNKNHZQCTB-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408799587	ZVGKPXAQCAAUMS-WOJGMQOQSA-N	648.251	6.485	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1C	408824951	CHBXNPLJLBVDPQ-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OC(C)C	408825555	IPPNWCISNVVVTK-FYJGNVAPSA-N	661.334	7.364	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408825748	FMDFLXIFDQKOFA-ALQBTCKLSA-N	671.013	6.734	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCC(=O)OC	408841978	HLXBCNQPXHAFFG-IBBHUPRXSA-N	623.529	6.339	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccccc1	408843582	MHMWFGQEYJKHKW-FABQOPTDSA-N	627.564	7.976	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N	408850891	FQYPBGDPQAEZGB-ABBQQIJVSA-N	524.831	6.054	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1Cl	408854474	GKZNGVVOJMQHED-OJYCWLPVSA-N	565.073	7.064	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1	408854833	JVWBXNKSGIYULJ-OJYCWLPVSA-N	690.379	8.163	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408856897	RVVPIUIFEBKGJU-MOHJPFBDSA-N	590.101	6.577	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccccc2F)cc1	408864394	ZSADXTTYRBBNNA-DPNNOFEESA-N	609.079	5.151	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2cccc(Br)c2)cc1	408864703	ZGYAIORBIGDBJI-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408866692	HXQQFMZWTILDSO-RQZCQDPDSA-N	546.299	6.501	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OCc1ccc(Cl)cc1Cl	408868314	POOVIKLTDBESDI-SRZZPIQSSA-N	541.431	6.212	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1c(C)cc(C)cc1C	408874100	YPLGBUFLEHKWAW-JJKQSNDFSA-N	615.539	6.711	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2OC)cc1	408879057	FCBZZMXARXAVBI-LGJNPRDNSA-N	517.763	5.103	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)cc1	408879083	ARUOEMOWUQPROE-JNOQVAKMSA-N	578.694	5.551	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12	408879475	DPWUVZZQPRVEOG-OEAKJJBVSA-N	586.442	7.342	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Br)C(=O)Nc1ccc(Br)cc1	408884579	UXINPBZNKFSPMC-LDADJPATSA-N	530.647	7.001	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC(=O)c1cccc2ccccc12	408896808	TUGAFTZDSGFDBA-CJLVFECKSA-N	506.514	5.702	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc(Cl)c(Cl)c1	408910629	HGBJUAMFJZRZPU-IPPBACCNSA-N	501.410	6.117	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1	408921868	CSVUTOJESGKBKU-LFIBNONCSA-N	581.366	5.790	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2Br)cc1	408926256	WNXJOCWOTAULQS-DHRITJCHSA-N	592.518	5.078	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OC(C)C	408948369	RIFKDMZWFWEFJM-RMORIDSASA-N	557.182	5.360	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1	408960528	GLDSUMLIPGUOEE-WKULSOCRSA-N	544.361	6.600	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cccc(C(F)(F)F)c1	408966037	YSTDKMXIRJGUBF-HIWRWHBISA-N	700.236	7.411	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccc(C2CCCCC2)cc1	408968907	CSICMPCXJRIBKO-LGUFXXKBSA-N	525.605	6.954	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1	408984273	IMEJHWNEYIBAHT-REZTVBANSA-N	604.682	7.027	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409006431	JHQNYZRCNBTBDJ-MWLSYYOVSA-N	589.736	7.343	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	409044336	BKRFPBPLLZNAQT-YBFXNURJSA-N	604.320	6.450	50	40	KKGB	
CCOc1c(I)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409046811	KSOSUWTYILNDJK-RWPZCVJISA-N	600.254	6.432	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409048076	QZSWGAXPRHSCBP-DEDYPNTBSA-N	534.410	5.719	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1	409049435	WVWCPAVUTIGSDF-KGENOOAVSA-N	578.463	6.118	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	409063653	ASOJDYXQVHKSGR-MUFRIFMGSA-N	546.476	5.208	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)c1C	409069458	CYIFUIYIAKDHMI-LDADJPATSA-N	545.842	6.033	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C	409161970	XWWFBRAGHQOQSB-XKJRVUDJSA-N	563.825	5.070	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1cccc(C)c1C	409169963	RLRRXWSKKUITFT-AMVVHIIESA-N	557.434	5.115	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3ccc(I)cc3)cc2c1	409186738	HGFSMXMMNZDMKH-DICXZTSXSA-N	540.357	5.779	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1	409199326	BZFZMGPFWFGKJS-LUOAPIJWSA-N	788.614	6.975	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409223059	GDFNWKHCRGFTNP-UHFFFAOYSA-N	642.621	5.255	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409223745	ISVIDVXOPRGEPG-NGUPNNDWSA-N	613.424	5.992	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccco2)c1	409224033	JZQZPFYPNKKKLB-UHFFFAOYSA-N	532.350	5.278	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409224468	LPSGZZSICICLNU-UHFFFAOYSA-N	586.398	5.413	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OCC	409226398	VTPSFDCHPNIVCQ-UHFFFAOYSA-N	754.388	7.153	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1C#N	409227628	RALIYDMMBOUGBG-OCKHKDLRSA-N	511.887	6.364	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)cc1	409227982	YPSJSNNNZNZTBJ-LICLKQGHSA-N	514.796	6.518	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1cccc(C)c1	409234865	NMEBLGBCSYTNRK-CFKHXJFWSA-N	519.439	6.520	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409237898	XVEJKZDGJUUOID-OBLBUWMUSA-N	607.275	6.970	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)c1	409251078	OEXRYQKHFADPMG-VCHYOVAHSA-N	599.279	6.097	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2)c1	409252137	CAIMMERZLBJDBZ-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409265666	NNDVCNRNHIXITQ-XDHOZWIPSA-N	505.958	5.316	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)ccc1OCc1ccccc1	409268956	BWIAVCQNWVEFQR-KMUKQRDJSA-N	602.087	6.416	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(I)c1OCc1ccc(Br)cc1	409362202	IFRGJNPDBVVSQV-MUXKCCDJSA-N	637.268	5.105	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Cl)c2Cl)Cc2ccc(Cl)cc2)c(C)c1	409372207	PLXXKBGLMRELPF-DBFSUHOCSA-N	552.911	5.913	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(C)cc1	409372521	DUZRFFSZRALFFG-JAIQZWGSSA-N	535.385	6.436	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409372692	GSFGTQBJGHAWEA-AMVVHIIESA-N	558.259	7.261	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(C)=O	409395841	SIRPHYOGXZTRGA-UHFFFAOYSA-N	723.349	7.416	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)cc1OCC	409396434	YIXMOMHYYQYMBV-UHFFFAOYSA-N	690.978	8.040	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396795	BHDFKGXHKGOYNH-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(C)=O	409396825	BPXPUQGZLCJJNJ-UHFFFAOYSA-N	565.557	5.891	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1OCC	409397921	PNGXRBPVFNIYDM-UHFFFAOYSA-N	615.608	7.634	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1O	409402612	KEJXILRUKQQEHW-MUXKCCDJSA-N	585.398	5.349	50	40	KKGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1	2453175	LNYWPMFDEOUIRV-KGENOOAVSA-N	505.983	5.404	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)ccc1O	3162798	PSXJLOLKYJRMLM-YSURURNPSA-N	528.241	5.277	50	40	KKGB	
COc1ccc(C2=C(/C=N/NC(=O)CSc3nc4ccccc4s3)[C@@H](c3ccccc3C)c3ccccc3O2)cc1OC	8400029	ZAEOXBGQRWWDBL-URFXCETRSA-N	607.757	7.452	50	40	KKGB	
N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1	8456143	QTMJIXXEAHGFOY-IQGLISFBSA-N	515.386	5.682	50	40	KKGB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=CC(C#N)=CN12	9159592	BAHWTZLXOWHIGV-VJBWXMMDSA-N	515.407	5.244	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCc2cccc3ccccc23)=C(C#N)[C@H]1c1ccccc1Cl	11852450	BHNOXECKQZYLGR-SSEXGKCCSA-N	552.099	7.770	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C4C5CC6CC(C5)CC4C6)cc3)c2C)cc1	16691720	LMFZCDZKYFTQEC-VUTHCHCSSA-N	519.689	7.578	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccc(Cl)cc2C)cc1	20206899	GPWDKMPBUMTKKG-UHFFFAOYSA-N	504.096	5.861	50	40	KKGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(O[C@@H]3OCCO[C@H]3Oc3ccc(/C(C)=N/NC(=O)c4ccc(OC)cc4)cc3)cc2)cc1	97983219	BMCQBEXQNOHVID-BBPZUTFUSA-N	652.704	5.169	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	100227990	BRXSLMRZCCZIHC-KEIPNQJHSA-N	622.143	6.062	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N1	102808204	JKPSKGNIBXRZNO-MHZLTWQESA-N	540.689	6.528	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	102810307	LYURQZXKBIHWEQ-AREMUKBSSA-N	551.018	6.325	50	40	KKGB	
O=c1cccc2n1C[C@H]1C[C@H]2CN(c2oc(-c3ccccc3Cl)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1	102924106	ZNVGRRYPEWIAGD-NSOVKSMOSA-N	629.120	6.400	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(/C(C)=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc1	103764982	SAEJDTXWPKYUIW-MEDPLMNLSA-N	550.662	7.329	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	103880668	MEJZKGOODOQVHS-ZCTHSVRISA-N	524.418	7.239	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(F)cc1	103883650	VBAQDJNMJASWCX-JCMHNJIXSA-N	550.428	5.432	50	40	KKGB	
CC[C@@H](Cl)COP(=O)(OC[C@H](Cl)CC)C(C(C)C)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161360	IZHBVGQTGCJVOX-NCXUSEDFSA-N	580.294	8.491	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4s3)o2)c(C(=O)OCC)c1C	106521151	MNMVWUIEMDZMQL-FOWTUZBSSA-N	566.682	6.483	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\NC(=O)c5ccncc5)CC[C@@]43C)[C@@H]1CC/C2=N/NC(=O)c1ccncc1	118918612	ZYEHQFGKBKGWDM-IXRBAGKWSA-N	524.669	5.311	50	40	KKGB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CSc1ccc(N(CCCl)CCCl)cc1	118935001	IIAURZWRQXTDJL-KLVVBPBHSA-N	594.645	5.866	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCC(=O)O	138920156	JFKKYRYKOZUJBE-WCIBSUBMSA-N	504.107	5.134	50	40	KKGB	
CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341368	QJFYSXWOWXICFL-SECBINFHSA-N	672.201	9.550	50	40	KKGB	
CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341627	OJXYDDVSLVDPOA-CYBMUJFWSA-N	928.337	13.652	50	40	KKGB	
FC(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342303	IYUKSSULAQXGFS-UWTATZPHSA-N	792.030	9.658	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(I)cc1	164311129	KBECNQBBSCFBLU-XKZIYDEJSA-N	717.345	6.621	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408533352	RYNBDTIMOMINNG-IURWMYGYSA-N	595.372	5.916	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br	408543358	QNFJXNKLBNERST-VGOFMYFVSA-N	506.150	5.020	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550617	IKCLIDXFFQCWOA-WOJGMQOQSA-N	691.332	6.832	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1cccc2ccccc12	408553250	NBSOZCDBDXDWTM-OEAKJJBVSA-N	612.549	7.938	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	408566985	JNODUBGXDFOOET-MUFRIFMGSA-N	513.863	6.672	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408568251	IPBDMUCGAIBXMF-PNQUVVCRSA-N	646.843	7.996	50	40	KKGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	408607009	MUMFXTAPCGBJBZ-IPPBACCNSA-N	504.801	5.035	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408642010	LWVBNDPDEHCHBW-TVFCKZIOSA-N	617.121	5.156	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]21	408655426	RVHOKMBATWLXGY-SHYZFUQISA-N	551.829	5.567	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1	408660726	WTMBMZRXLQANAA-IGQFXSRTSA-N	629.132	5.011	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccccc1	408676423	IPMUQAIABYLQGN-OGLMXYFKSA-N	508.416	5.401	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1O	408729037	XBVZTSCHZLICSB-FDAWAROLSA-N	564.063	5.522	50	40	KKGB	
CC1(C)Cc2ccccc2[C@](C)(C(=O)N/N=C(\COc2ccccc2)c2ccc(Br)cc2)N1	408733976	AFEOEJXUOABXCQ-KOUYFHPOSA-N	506.444	5.188	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741157	HCPGJISOMJJXBY-FMFFXOCNSA-N	510.424	7.882	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc(OCC)c1OCc1ccc(Cl)cc1	408747686	ROJYIIUGRDYVBS-OKCVXOCRSA-N	604.872	6.423	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408750109	KMCRDJYGJQKLIG-ATZGPIRCSA-N	614.323	6.730	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	408755885	WPYUZFSOLMAUJS-QESWDSMOSA-N	522.454	5.405	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1Br	408774175	ARBKQDBVRYWAHB-ZDLGFXPLSA-N	533.647	7.517	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc2I)c1	408782790	ZBHJPJDRNBWJDZ-IUXPMGMMSA-N	539.211	5.373	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(I)cc1	408788753	FXMSHHKWPHZJHT-XDHOZWIPSA-N	558.803	6.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(F)cc1	408789272	IGAOLBVAIXBYIW-VCHYOVAHSA-N	587.345	5.862	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408789697	RFUNRWUSXOJMPI-LZYBPNLTSA-N	696.195	5.837	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1ccc(I)cc1	408792001	GJRIZJNSKYKAMQ-XDHOZWIPSA-N	633.280	6.586	50	40	KKGB	
N#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I	408792993	NAXFCVIHIUPFSX-KPKJPENVSA-N	542.558	5.155	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCC#N	408799049	XUYNUTBFTNIUGB-DEDYPNTBSA-N	518.367	5.485	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1c(C)ccc2ccccc12	408807729	ONUYVZRBWYKHFX-OEAKJJBVSA-N	541.445	7.352	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccc(F)cc1	408810467	JCEWHNBDIPASIM-MTJSOVHGSA-N	539.401	5.798	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C	408814239	SDNZECRDHRYGGJ-WTAXBKJTSA-N	517.629	5.275	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408815877	VMQXYBFVLMLGIS-APTWKGOFSA-N	604.501	6.320	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)cc2)cc1	408826331	GFUKQDQFRRHXLD-HNSNBQBZSA-N	605.116	5.396	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)cc1	408832588	XWKIPBCUXVPXKM-JRZNSJKLSA-N	798.181	6.779	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408840150	BMPXUSFUFAQSAY-VWJSQJICSA-N	613.523	6.965	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2ccccc2o1	408849716	YMQJCPKBCQHNTP-ZRGSRPPYSA-N	667.197	5.893	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408855312	CGJPLNOWDLCMLT-KCSSXMTESA-N	595.121	5.419	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)ccc21	408856778	LFBDMUDLLMJLJR-VFLNYLIXSA-N	554.459	6.326	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408859179	MOUIIROQHVZMKG-KEIPNQJHSA-N	617.724	5.336	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408866123	FVNZNRGZQCGADA-DPNNOFEESA-N	593.149	6.027	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408868580	NTQYTEXJXRIARC-BKCJTUCBSA-N	660.818	5.409	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Br)c1)C(=O)Nc1ccc(F)cc1	408870288	VSVIZMNKJCSOHF-WOJGMQOQSA-N	514.192	6.487	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Br)c2)cc1	408870410	VMBTWVCEXVOQDR-UDWIEESQSA-N	554.238	6.135	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(C(=O)O)cc1	408880892	LFBGDHBBUBVZHQ-IIHBXENTSA-N	710.472	6.489	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1Br	408885751	AFBHLIYCZRTODM-RQZCQDPDSA-N	565.773	7.255	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(I)c1	408886977	NFHGUDRDXSRDCL-RQZCQDPDSA-N	732.097	6.625	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC(=O)c1ccc(C)cc1	408888420	VGKAAACSXMYHHM-QXUDOOCXSA-N	544.692	6.606	50	40	KKGB	
N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408891431	QKGIAQDZEWCMTF-LZYBPNLTSA-N	507.333	6.508	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	408899474	PRNQQZDJLSJNII-OQLLNIDSSA-N	557.744	6.565	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)ccc2OCc2cccc3ccccc23)ccc1Br	408904619	MGTPJPKYKMXPON-FDVSRXAVSA-N	567.281	7.408	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905451	YRPDWAWCSMHEBQ-BCHBDCPOSA-N	654.642	6.704	50	40	KKGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)S(C)(=O)=O)cc1	408908735	YIDKQUZEOCGWCV-PJLCQNFYSA-N	574.099	5.021	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1O[C@@H](C)CC	408912349	QMCHAJSVVSRTCX-VFKGCLKRSA-N	525.443	5.411	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	408937542	JPTASOYTGCFOAX-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1Cl	408940072	NXGPZLPTYYIXCD-VPUKRXIYSA-N	527.330	5.517	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408944750	JQHPYPMRBUYRGQ-MHZLTWQESA-N	844.897	6.013	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C)cc2)c(I)c1	408953840	YIUZVOZOMYUCSN-NDEPHWFRSA-N	824.479	5.668	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(C(C)(C)C)cc1	408968567	XIXVKOBNXFBNAM-IPPBACCNSA-N	618.313	7.269	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c2ccccc2)cc1	408977401	DDQFPHJACYDDSI-GBCYJOOSSA-N	546.605	5.032	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1C#N	408979023	KVFRBYWFCJSQLQ-LQORQXAFSA-N	546.627	5.547	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408994767	IRWBATHWHZGTCY-LZWSGYTISA-N	774.913	8.160	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1cccc(C)c1	409037942	UXXPOWNTKUJDCP-OJYCWLPVSA-N	550.058	7.605	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)cc1	409049792	XJQUBQBPQBGGDM-MHWRWJLKSA-N	503.363	5.321	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1	409052789	ALMQQEFSWCIYEQ-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409072800	LDSPCTQAXWELBM-RGVLZGJSSA-N	511.315	5.641	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409076642	BMAYPGBSDUBMGY-VCHYOVAHSA-N	581.379	6.619	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409080692	FRSFSGYOPUOFMN-KVSWJAHQSA-N	584.241	5.748	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cccc([N+](=O)[O-])c1	409082069	PCOWPXDAJMHQTJ-MUXKCCDJSA-N	677.236	6.300	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409143187	ZMGSITLJMPQIDO-NDZAJKAJSA-N	572.083	5.048	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409145030	QVMATMSQASUMHT-JEPNHJGPSA-N	637.089	5.238	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409185917	SNSGGWWWKFVHKE-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409208338	ATBNODRESDSBOY-ORBVJSQLSA-N	731.608	7.677	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409218149	DAJHKHCKFSVJDM-UHFFFAOYSA-N	631.395	5.321	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409219036	MNXWLVDDVLOJIZ-MHWRWJLKSA-N	555.772	5.574	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC	409223037	FCGCKMYHRXRXGP-UHFFFAOYSA-N	722.545	5.736	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409246023	CQMKOBGYCHAEGG-HMAPJEAMSA-N	550.409	5.601	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409249894	JIVNTONRNGCCLI-RODHXAHZSA-N	752.034	7.910	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1	409252831	FEFYRXHJHKIJRR-UDWIEESQSA-N	538.431	6.572	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409254141	DESDZTCTJUJFSU-ZMFRSBBQSA-N	561.230	5.002	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409265529	SZXVUQXXEXTWMT-RQRWGXNHSA-N	766.061	8.300	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br	409270338	PMDVYLLVNIIWAP-LICLKQGHSA-N	587.243	6.222	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)ccc1OCc1ccccc1	409310584	BBIIKKOEUPHWLY-WBIBEUCMSA-N	623.584	7.546	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC	409315135	NMBFUSLRYCXNTD-ZRGSRPPYSA-N	638.225	5.992	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409368860	QBBYODAHCHWIGW-NUJZUDFISA-N	548.492	5.268	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409392693	RICVHCDVTWLFPO-ZDLGFXPLSA-N	596.381	6.126	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)cc1OCC	409395169	KOURYAOGOPXCRB-UHFFFAOYSA-N	739.848	8.794	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409396169	WVKVQYPYYKDJCN-UHFFFAOYSA-N	719.739	9.015	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396483	SHRQAJZUIKUVKT-UHFFFAOYSA-N	591.620	6.151	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397268	ICIGWXYVXOPEFE-UHFFFAOYSA-N	603.418	7.042	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397437	JWKRKSOLSMQHFZ-UHFFFAOYSA-N	636.919	8.186	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397569	LJNZXKPBNCLQFP-UHFFFAOYSA-N	567.645	7.678	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409398491	TZUOXEVTBHBFGO-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398559	UMNFCCAEAKPNAP-UHFFFAOYSA-N	682.314	7.804	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1O[C@@H](C)C(=O)O	409402912	LFSRCKPUJZCLQJ-GYJUCFALSA-N	624.488	6.043	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC#N	409405113	SDQYYUNFYFGWMX-LJUMEUDFSA-N	557.563	5.239	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)o2)cc1	409406191	WEPCTSYZFMMEBU-HQDYHJHZSA-N	643.494	7.280	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(OCC)c1	1529548587	JLSKXWVQBCZXJA-WTIDAYISSA-N	778.669	6.307	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	1767440	UBSPASOOMNYXDH-MHWRWJLKSA-N	525.373	6.755	50	40	KKGB	
CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl	2295190	PPBPELAZFUXUHV-UXHICEINSA-N	538.840	5.147	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@H](c3ccc(Cl)cc3)Nc3ccc(Br)cc3[C@@H]2[C@@H]1Cl	6445754	KFXQFKKNORQDIZ-JCTDHXFVSA-N	550.305	8.049	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/C(Cl)=C/c1ccccc1	9018960	MQZZLUDEONTVEL-SAUAZSOMSA-N	514.482	6.578	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	15226346	ZHFZIUFAVPNSID-LDADJPATSA-N	506.356	5.026	50	40	KKGB	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1	16043644	VZBBAPPRIXJHMV-AQRZYSDFSA-N	511.603	5.539	50	40	KKGB	
BrC[C@H](Br)COc1c(Br)cc(Br)cc1Br	72399499	QXWYPAKUEHGJSG-LURJTMIESA-N	530.674	5.511	50	40	KKGB	in-vitro
CCOC(=O)C1=c2s/c(=C\c3ccccc3Oc3ccccc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(Oc2ccccc2)c1	97966315	JKKFLXFHNIPIJV-WFRJPOHTSA-N	613.695	5.485	50	40	KKGB	
O=[N+]([O-])c1ccc(OC(F)F)c([C@@H](NS(=O)(=O)c2ccc3ccccc3c2)P(=O)(c2ccccc2)c2ccccc2)c1	97983437	VKUXWPMVGIQMNM-LJAQVGFWSA-N	608.559	6.341	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1Cl	100062807	MRQHZMKULYMPKQ-WKIKZPBSSA-N	566.677	6.145	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100124347	SFMGBAUBCOOCPU-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343527	PCPBNPALNNVSTM-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
N#C/C(C(=O)Nc1cccc(Cl)c1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100842738	FKMVNBCWJOQAKJ-CKVBZJJFSA-N	538.854	6.167	50	40	KKGB	
N#C/C(C(=O)Nc1cccc2ccccc12)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100988259	PDZPBACEAPVEKE-IYQUHZLLSA-N	554.469	6.667	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc(OCC)c1O	101509966	UQABHZPIBPTRPK-PPDIBHTLSA-N	563.246	5.122	50	40	KKGB	
N#CC1=C(c2ccccc2)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O	102610362	IXSQKKGSLJSIBW-NNIWKIFQSA-N	553.423	5.170	50	40	KKGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104699344	ATHBKLFMIXJHQW-CVHRJPPBSA-N	540.878	7.393	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	106063467	SHFLZJMGYUMAGK-CKJBABAKSA-N	557.738	6.948	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c(C#N)c1C	106407157	IRZGYBHGXFJFKU-DJKKODMXSA-N	613.917	6.827	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	164804592	XMUZFKXBRRWYSA-XAZZYMPDSA-N	631.902	5.841	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795448	PVYVVFRAKOKZEL-IAGOWNOFSA-N	928.303	13.382	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCC(=O)Nc1ccccc1	408542012	JAKZRHKBTCLNJJ-ODLFYWEKSA-N	519.941	5.000	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408542527	MALXPPNLLUEKAI-OCKHKDLRSA-N	547.232	7.496	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551504	DGLTYRCOLNKGSW-RQZCQDPDSA-N	589.273	6.636	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552139	OOUDOIZXSXQLQB-FTCYSYDXSA-N	540.325	5.802	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1Cl	408552499	QEHDEOSRSZQYJN-VGOFMYFVSA-N	658.561	7.735	50	40	KKGB	
N#C/C(=C/c1cc(I)c(O)c(I)c1)c1ccc(Cl)c(Cl)c1	408589006	XVGPQBYLBUUNLN-KMKOMSMNSA-N	541.941	5.972	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1cccc(F)c1	408678393	YHHIUZJARBMLNO-OCSSWDANSA-N	540.433	5.930	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408678871	DPPGYZSGLAFMIS-MSPXFKQSSA-N	646.119	5.237	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408727926	ZNKZOIJWLPELOC-RPPGKUMJSA-N	691.101	6.010	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	408731582	LXUJZQUXBJSLGD-BUVRLJJBSA-N	631.901	7.994	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408761264	CZQBPJWVTFNLEZ-GDNBJRDFSA-N	518.334	5.215	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccccc1	408765619	MQKXZXPEEPFDBN-UNOMPAQXSA-N	603.254	6.577	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408768497	XJRKNIUNVFTVBI-WPWMEQJKSA-N	564.889	5.155	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc(Br)cc1	408784040	QSJQDBJSHKMTFD-ODLFYWEKSA-N	560.185	6.395	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1	408819137	WTTJHJLMDHCKFS-CPNJWEJPSA-N	505.958	5.229	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(Cl)cc1	408820770	ZZGYXNGCELJEFB-WQRHYEAKSA-N	576.793	6.607	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	408822641	CMAFZJDEVXGGIQ-DEDYPNTBSA-N	507.373	6.139	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccc(C)cc1	408822659	QMKSYMHXRSPRKO-CAQPMQTCSA-N	623.087	5.490	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OCc3cccc4ccccc34)cc2)cc1	408828964	MPLGNBPICRCITQ-MWAVMZGNSA-N	524.620	7.852	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408835280	XAGCWYLIFWPIQU-NLRVBDNBSA-N	509.005	7.352	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc6ccccc56)c(Br)c4)cc3)cs2)cc1	408838752	HWPPMIGNFJNBFF-HASSKWOGSA-N	647.598	9.121	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1	408838756	HYMXSNAGBDZBAN-ZCTHSVRISA-N	507.546	5.239	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccccc1C#N	408851830	GMFHAGCZCDHOQG-QRQIAZFYSA-N	530.628	6.012	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(C(=O)O)cc1	408853715	QZZIHFWBXTXXMM-MNDYBZJGSA-N	563.404	5.974	50	40	KKGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408857610	LHVWQGATFLJPOY-BIZUNTBRSA-N	537.563	5.865	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc2c(c1)OCO2	408858573	QKYZYAMFSOUXNV-UUYOSTAYSA-N	588.458	5.903	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408859344	SOHCNICOVLRLAL-IWMOUMOSSA-N	665.009	7.228	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408862382	JAILWQHANCHAMD-DPNNOFEESA-N	640.531	5.830	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)cc1	408864492	WKSMXFZWDZADLL-UXHLAJHPSA-N	595.519	5.211	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	408864817	ZXMGYSVQLWFOED-MWBNBJEGSA-N	717.038	6.361	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1Cc1cccc(F)c1	408866865	IXTYWVDRJWWQBX-RQZCQDPDSA-N	591.218	6.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	408887621	PORKNCMXSRLXCN-LDADJPATSA-N	512.349	6.425	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408889116	DTLXCNLFXOCZIP-UDWIEESQSA-N	518.356	7.179	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccccc1Cl	408891295	OEMDGCOPKQJUST-WKULSOCRSA-N	570.814	6.449	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OCc1ccc(Cl)cc1Cl	408893345	FDCKHINPWNFQSY-GIJQJNRQSA-N	512.349	6.343	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OC	408894685	KLFXGDXNADYPEW-RIYZIHGNSA-N	585.090	6.402	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1cccc2ccccc12	408904997	RSBASJAOOCVCMX-MWLSYYOVSA-N	518.411	6.654	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCc1cccc2ccccc12	408905149	UKWLVEGYBVGEFT-CAQPMQTCSA-N	535.556	6.574	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408907986	ACKRHHJQIWASTQ-QXUDOOCXSA-N	616.512	5.560	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2Br)cc1	408925354	RLGMBBRBGNWNCO-MHWRWJLKSA-N	642.837	6.393	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	408944828	VTEOJRHVYVRSNI-ZCTHSVRISA-N	592.515	5.369	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)c(OC)c1	408956184	PTUUHYJDLAMSIA-SQAGPIQUSA-N	765.401	5.972	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)c(OC)c1	408957706	VNKIKGQOTMCTTO-CJPARAFHSA-N	669.106	5.186	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408972583	PGLPUOSLWFOIBI-FYKGKLKKSA-N	659.397	7.524	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1	408983019	JRSWJRACJIUCEB-REZTVBANSA-N	560.231	6.918	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408988333	HQPIGDJHRKREEF-DMNWFQLLSA-N	596.471	5.292	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408990621	LDRSHDCAJGHHLU-JDEXFODTSA-N	758.879	6.596	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	408997339	FPEIEJXNDMHFOI-BZCOGROQSA-N	527.669	5.680	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409009467	AFKSJQJEWHQALH-QLQYKETESA-N	581.713	6.343	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409012720	RMQXWMCOELAPDU-XJECJHNESA-N	696.427	8.439	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1ccccc1C#N	409018902	WQYWOBZWWKCYAD-ZMGVVAQMSA-N	559.420	5.376	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1O	409035186	JCXSNEFNHOLHDU-MZJWZYIUSA-N	584.439	6.027	50	40	KKGB	
Cc1ccc2c(c1)c(/C=N/NC(=O)CSc1cccc3ccccc13)c(C)n2Cc1ccc(Cl)cc1Cl	409037886	UOEFHBBXNQJZTL-MHDJOFBISA-N	546.523	8.009	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1cccc(C)c1	409040684	UASQQLLLTSDKFX-UCMJSZAQSA-N	501.586	6.562	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1	409046171	JGDFNBCPYCPWLF-CXUHLZMHSA-N	609.087	7.238	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409084374	BJWUAFBMAOPKIU-OQLLNIDSSA-N	550.325	6.397	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)ccc1OCc1cccc(Cl)c1	409115587	JZXNZXNEANZIRP-QXUDOOCXSA-N	606.144	6.356	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Br)cc1	409134797	QDZHFNHOANVSJZ-HSZRJFAPSA-N	572.253	6.113	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409152004	JAHIRPJGWRYEDS-IBBHUPRXSA-N	642.494	5.030	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)nnc1-c1ccncc1	409189455	GVALSVOJQFLZLS-MUXKCCDJSA-N	547.984	5.583	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)cc2c1	409190009	PSVWSWXEEYMGBA-CPDSRJINSA-N	597.263	6.571	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2I)c1	409191452	HUYMBYSSJOGWHV-DHRITJCHSA-N	504.755	5.596	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409213220	SUESOUNAQSRVIA-MFOYZWKCSA-N	504.167	7.307	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Cl)cc3Cl)cc2)c1	409223090	GMQYKMCTAYKHQI-ZMGVVAQMSA-N	591.407	6.445	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OC(C)C	409248541	LBEZEVOSTKSWPN-YLRSXTQRSA-N	504.368	5.261	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409255284	GWWPMKRYGIVVAK-WSDLNYQXSA-N	609.464	6.097	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl	409262571	IXSSRAZJEBBLRP-VCHYOVAHSA-N	526.774	6.401	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)cc1C	409262778	KAORUDXCOQTVMV-RODHXAHZSA-N	644.584	8.259	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409265456	SRDYSQXMMSLEJU-XKZIYDEJSA-N	609.464	6.178	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c(C)c1	409265660	NJVVOMMYUWMIFA-AEUUOICLSA-N	654.590	7.714	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409266940	ZGGLKTFSZAEFLT-UDWIEESQSA-N	581.410	5.480	50	40	KKGB	
O=C(Nc1ccc(Cl)cc1)[C@@H](NNC(=O)[C@H]1NC2(CCCCC2)Cc2ccccc21)c1ccccc1	409283925	QQUKJORCIKKYGI-UIOOFZCWSA-N	503.046	5.231	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1OC	409314743	SIMLEEZXZAFAHE-NTFVMDSBSA-N	572.399	5.216	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC	409319805	MCHLSWWRBQJEJV-WKIKZPBSSA-N	652.252	6.382	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1OCC	409322140	IWORJYYCYDONIJ-UHBFCERESA-N	514.981	6.018	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(I)c1OCc1ccccc1Cl	409371920	MLXIFCWCSGHZJB-MZJWZYIUSA-N	564.807	5.695	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409372653	GAHQZAMDTGFTLT-OKCVXOCRSA-N	625.419	6.103	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1Cl	409373716	YGMYCSQFQXBORI-PPDIBHTLSA-N	589.726	5.751	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409374902	BGMOBIILDHJAOE-BKUYFWCQSA-N	534.012	5.927	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1	409381535	HYWKNKYYFREIPK-UCMJSZAQSA-N	553.615	5.454	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(C)=O	409394509	BGRHIEPEHRMFGT-UHFFFAOYSA-N	676.523	7.668	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)c1	409395381	MYHWOLPYJOLPLN-UHFFFAOYSA-N	655.763	8.849	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(C)=O	409395976	UTDPDLRFYBNZCV-UHFFFAOYSA-N	644.453	6.654	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(C)=O	409396056	VUTULNGOAILBDU-UHFFFAOYSA-N	695.353	7.821	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396329	LRKPIVYROMVLKR-UHFFFAOYSA-N	558.594	6.097	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397451	KBKZHDQSHMPBAJ-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1	1194893	FMZVRATVONTMKT-RGVLZGJSSA-N	506.942	5.570	50	40	KKGB	
Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(Sc4ccc(Cl)cc4)o3)s2)cc1	2298109	NYIFHPIUOOOAAA-DHRITJCHSA-N	512.016	5.189	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Cl)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136358	JIMKMDDRROAWOA-RIYPIFPCSA-N	546.432	7.204	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	20348610	KNMDIPANLFGQSR-HHHXNRCGSA-N	512.610	5.841	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	28217807	HLMNCMGMWWFIQJ-QESWDSMOSA-N	517.807	5.528	50	40	KKGB	
CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1	33403354	LHJGOQZTRQMHRF-UNOMPAQXSA-N	500.451	7.155	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1	59474931	RHYIKRQEHOQGBJ-XKZIYDEJSA-N	505.412	6.589	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccc(F)cc4)c3C)sc3c2CCCC3)cc1	59678403	JWTPMFMHVJCZTO-VTNSRFBWSA-N	528.653	6.498	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	59884335	JWEBEMSYBRNLII-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCCC(=O)OCCCc3ccccc3)cc2)cc1	97940425	UTKNUGRXVKWAPX-UHFFFAOYSA-N	543.664	5.344	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)sc2c1CCCC2	97946702	NJNSRJGFEGSPHQ-FBMGVBCBSA-N	540.601	5.149	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1cccc(Br)c1	97958782	BOENSGLNJCAQKG-OKCVXOCRSA-N	532.394	5.392	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc(OC)c(Cl)c3)o2)cc1	97960464	ZADNBPVEZHFSCA-DRTNWNSLSA-N	571.077	6.376	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1	97966494	FWGOURFFIGEGQQ-ZQKHHVOPSA-N	666.393	7.501	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	97980665	WSDRULFOPXMBPG-DEDYPNTBSA-N	547.533	6.701	50	40	KKGB	
CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4Cl)cc3)CC(=O)N2C1	98048448	XKUQXNSNDIIKNI-QHCPKHFHSA-N	532.065	6.537	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccco1	98048578	LGGNHYWDCCOQRM-MHZLTWQESA-N	561.107	6.819	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	100103109	BAGRMPANQSBNLH-QNKGDIEWSA-N	574.102	6.373	50	40	KKGB	
CC(/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)=C\c1ccccc1	100851190	DDNFIHXPKZBBLB-SILQRRHJSA-N	532.467	5.994	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1	100903639	BVAKQILYKFWWLP-JSIHEXFSSA-N	538.854	6.167	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1	100991252	CUYJNJINNYVXIF-HEQFHQOESA-N	522.457	6.675	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)N(c3ccccc3)C2=O)cc1Cl	100991370	QFEJYCMHUNLTRZ-IYQUHZLLSA-N	605.572	7.414	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccc(OCc2ccccc2)cc1	101007050	JDNWIPKXUVBYKC-IMRQLAEWSA-N	603.722	5.217	50	40	KKGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1Cl	103872450	BMURCHPHTDSUQN-QXUDOOCXSA-N	550.014	6.692	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1Cl	103890593	YBOQMYBYPLDCHM-YVLHZVERSA-N	580.693	7.933	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)COc4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)cc1	104699307	RPLMOPHKCYAUCJ-VRDCQXKVSA-N	509.606	5.527	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CSc5ccccc5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699937	KPIQGNUOSDQYRQ-BDMLMYJISA-N	587.745	7.746	50	40	KKGB	
CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341553	UERNQYXXXDYBCR-GFCCVEGCSA-N	964.317	13.897	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342070	BWWOVQKGELBFFI-UWTATZPHSA-N	692.016	8.387	50	40	KKGB	
FC(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342255	OEEHJXHJVAEWNT-UWTATZPHSA-N	742.023	9.022	50	40	KKGB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)CCCN3C(=O)/C(=C\c4ccc(CC)cc4)SC3=S)C2=O)cc1	150456444	DEGNCGJQFVPKCX-GAHATOAQSA-N	666.916	5.622	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(C)cc2)cc1Br	150462964	QTXUTWSWUVVAMQ-VTNSRFBWSA-N	643.991	6.173	50	40	KKGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408609673	LBCWQLIYLKPBNT-VFLNYLIXSA-N	504.801	5.301	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408641163	KVRDDUHSSHQUPN-OYWFIERQSA-N	685.196	5.543	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408654527	QTCXTYCVGIUVJQ-IMJYCFMASA-N	551.829	5.401	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(N2CCCC2)cc1	408677053	OTUXKRUKHLJBML-JVWAILMASA-N	523.387	5.300	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1ccc(Cl)cc1Cl	408682154	JZPDZEYZILJOII-VPUSJEBWSA-N	597.292	7.790	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1	408725638	NAGWDYQKSQDLGM-UNOMPAQXSA-N	510.331	5.424	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccccc1	408741591	JYDQHGSVHYAGGV-PDGQHHTCSA-N	559.201	6.178	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1	408745409	RUELJFLUDPIZCQ-ZDLGFXPLSA-N	526.774	6.444	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)c1	408746883	XFTVKYSNBJOXKX-JAIQZWGSSA-N	664.281	6.728	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408761408	JXMQRBGSDMDLLK-FJEPWZHXSA-N	582.292	7.025	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2I)cc1	408764807	NHQUBLLAHBIAHD-ODLFYWEKSA-N	573.228	6.487	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408765376	LJKFIXHORXXRSJ-VWJSQJICSA-N	648.379	7.182	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408779004	OTTIFYSYLZLQQM-TWKHWXDSSA-N	542.101	5.690	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N	408782667	IJRHLCZGNCUXPD-FTWUUUIISA-N	552.900	6.267	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	408788833	MHSUOXPIGJTJPI-KEBDBYFISA-N	678.264	6.336	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1cccc2ccccc12	408792862	CUDBMFUKUCZNCP-MTDXEUNCSA-N	619.515	8.315	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1	408793717	QBFLTCFAFBVGCG-YBFXNURJSA-N	696.254	6.336	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)c1	408795776	WFRGHFKHNHCBTR-UDWIEESQSA-N	526.349	6.172	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(I)cc1	408796581	PJGCKQUITDZLAF-GIJQJNRQSA-N	637.699	7.149	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1	408804762	BFLJHXOUMNDJNV-RGVLZGJSSA-N	525.830	6.798	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1	408819742	RQABKNGXUNAMGH-UWVJOHFNSA-N	600.263	5.751	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)c1ccccc1	408829218	LBIJMUBJULYVGZ-SLUODYENSA-N	592.721	5.481	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc(C)cc1	408829556	MVNFAMZDUYRPBH-WGOQTCKBSA-N	723.405	8.465	50	40	KKGB	
Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408830290	LXDUIQJDGCLNHV-BVMLUPFRSA-N	596.496	5.698	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408830787	SUJPSOXCMRPIIN-FADJLKOXSA-N	593.705	6.081	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)NCc3cccnc3)o2)cc1	408832192	QGQVUSXVJQIRKO-IWIPYMOSSA-N	561.063	5.251	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1	408832380	QJHOZDJPVOZQFM-AOMYKUFJSA-N	628.965	7.415	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)c1	408839213	OVSAFINVZMIXIU-KVAAJVFYSA-N	646.950	7.861	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCC	408839840	AUPXXQVKKPNIDC-KVSWJAHQSA-N	526.968	6.049	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408847517	SOAGRLHPXDDBEO-ATZGPIRCSA-N	632.923	7.553	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)NCc3ccc(Cl)cc3)o2)cc1	408847734	RHHCBOZCJGPWCS-JLPGSUDCSA-N	594.520	6.509	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1	408860550	YBTWLSKPWMVADP-GZZLJNBRSA-N	570.671	5.073	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(C)(=O)=O	408862013	WHTMNPVZJZSJCI-OCSSWDANSA-N	536.053	5.297	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1	408863957	RVBHZAFVKBQQOT-JEPNHJGPSA-N	639.561	5.077	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408867678	MEJLAUQYFTZYGZ-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1Cc1cccc(F)c1	408884580	YKRKURYHLLRWLL-CAOOACKPSA-N	580.319	6.594	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3cc(Br)ccc3OC)cc2OC)cc1	408888853	BVSAUHVWLGMGDU-UVHMKAGCSA-N	547.789	5.111	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)c(C)c1	408907683	OSCCFWVCIVGBPF-OKCVXOCRSA-N	651.339	6.431	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	408926282	WSBNCMYIXJYAKO-SFQUDFHCSA-N	563.941	5.631	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2C#N)c(OC)c1	408947887	BNVTZYPDPXMZJQ-DBXYLJAYSA-N	666.518	5.173	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)c(OC)c1	408955780	PGMQRUVZWJBZEG-AEDYYIHTSA-N	691.568	6.454	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4cccc5ccccc45)C(=O)[C@H]23)cc1	408958426	YTEIRFIKOZQQGP-YYOOALPOSA-N	561.641	6.115	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2OC)cc1	408968827	BVQOTAVPVOQHIF-NJZRLIGZSA-N	525.045	6.529	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Cl)c1O	408971884	LKVIBRURBSSOMY-WVMIMECUSA-N	578.880	5.396	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc(OC)c1OC	408998520	QZCMZNLLHQPYNT-DPNNOFEESA-N	632.467	5.710	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)COc3c(C)cccc3C)c3ccccc32)c1	409010153	AHQFAJHTHZNRGD-TYJMEUPVSA-N	586.736	6.180	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	409025834	YAXUDZMQJYXFKF-WOJGMQOQSA-N	542.227	6.345	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409026923	HCFPFKVSUVBXFU-QLQYKETESA-N	682.195	6.079	50	40	KKGB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)cc1	409042638	XGFQNHFLOVXOOR-MZFJOGFUSA-N	501.590	6.032	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409047637	PAUZJAHAOBXZGX-UDWIEESQSA-N	581.410	5.480	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1Cl	409053580	NDGPWTFSOWWNKU-KBKYJPHKSA-N	675.648	6.109	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OCC	409055714	ANVACMCWTJDTTN-KBVAKVRCSA-N	592.545	5.831	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	409070482	YIHGCWLQCCYLAC-LDADJPATSA-N	539.407	6.129	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1	409073105	UXXFMCLJQAEZRG-GHRIWEEISA-N	561.841	5.815	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Br)cc1	409108174	VKCLIQSGPQNGFR-HSZRJFAPSA-N	586.236	5.746	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccc(Cl)cc1Cl	409128661	GCXKAIGVXDZFAR-QHCPKHFHSA-N	609.247	6.499	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(Cl)c1	409132543	KACODWYHSPYHKK-MHZLTWQESA-N	536.072	5.700	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1c(O)ccc2ccccc12	409149286	ALUMJQPEUJACHZ-WKULSOCRSA-N	586.895	5.303	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F	409170713	XDISXVCAHYYGTM-PTEHHBOZSA-N	649.464	5.384	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2cc(Cl)ccc2C)cc1	409185063	RBYJWIZDFXWINS-VTNSRFBWSA-N	567.086	5.849	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409211362	MZUGTNLWFPDQPL-RPPGKUMJSA-N	564.845	5.841	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)c2)cc1OCC	409217599	DOLWHJDBOXTBPQ-UHFFFAOYSA-N	565.626	6.028	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccc(C)cc1	409218801	KZCVTGQIRWCZLG-UHFFFAOYSA-N	572.017	5.901	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccc(C)cc1	409221820	ATXOWNGCSTYVMB-UHFFFAOYSA-N	541.991	5.892	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3cccc(C(F)(F)F)c3)cc2)cc(OC)c1OC	409223019	FXKPNLCAGYDKQY-ADJDCTSUSA-N	656.013	6.620	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OC(=O)c2cccc(C)c2)c1	409223193	FTTNCGXQEVMVNR-UHFFFAOYSA-N	541.991	5.892	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccc(Cl)cc2)cc1	409226402	VUMSXPFGMWZGBH-XXKYAXTBSA-N	510.377	5.725	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1ccccc1	409238455	ADNPLKIECGVBNP-ZWXNIRCYSA-N	511.419	6.966	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1C#N	409240547	LGACWLVHDKMUQM-OCKHKDLRSA-N	556.338	6.473	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)n1	409243455	YSXMGURNKPWCKU-FJEPWZHXSA-N	534.085	5.976	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1	409258000	SOXNNYBEDSJHQQ-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)c(C)c1	409269474	JSPVJFUKOKCXLZ-YLYVUXRMSA-N	679.029	8.912	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc3ccccc23)ccc1OC	409310469	VEDJEBVYVSFACV-LQNQUEJISA-N	533.422	6.353	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	409311824	BMXDUYIENVSXLO-CAQPMQTCSA-N	533.024	6.642	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)ccc1OCc1ccccc1	409311879	CGXCWNXLCHSANB-FZKWRIDDSA-N	604.059	6.968	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409365193	TVDIFJHTOKGXNC-MHWRWJLKSA-N	517.866	6.061	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	409371704	GHRHGLCFFGFYEJ-FDVSRXAVSA-N	508.361	6.327	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	409373597	RBCHPURYYAEAHW-FJEPWZHXSA-N	509.389	6.507	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409374232	ZENJMSDMILEFCS-LQNQUEJISA-N	561.436	6.037	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OCc1ccc(Br)cc1	409381717	MYKJXDJUWKXBGJ-JAIQZWGSSA-N	620.285	6.127	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(I)cc1	409390056	DLCVMLGQOAHQAV-GRSHGNNSSA-N	578.219	7.235	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCc1ccccc1C#N	409393285	WVIWOYMGVPQCGS-JMIUGGIZSA-N	576.394	6.090	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409396052	VTYUSZHOVMDGPH-UHFFFAOYSA-N	590.836	7.373	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409396829	BQZAJXGOZBBUHP-UHFFFAOYSA-N	598.011	6.217	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409397506	KOLWKSDQZGNKKE-UHFFFAOYSA-N	648.499	7.159	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409397766	NVSGZWIIWURYMW-UHFFFAOYSA-N	596.392	8.144	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409398671	VCTGGXXGOFGVKG-UHFFFAOYSA-N	586.475	7.832	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1cccc(C)c1	409400792	FMTCZWMPDAYGBU-CLHYIUPASA-N	703.577	7.921	50	40	KKGB	
C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Br)cc4)o3)c2C(N)=O)C1	1243414	QKJSKFUCAXEKTM-JMRXEAOASA-N	510.413	5.540	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1	1889053	FZSOVNQOKWQEOQ-JHGYQWQCSA-N	516.381	5.468	50	40	KKGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	2201323	PDKNRUUMCAJRTP-SDXDJHTJSA-N	515.466	6.592	50	40	KKGB	
CC1(C)[C@]2(C(=O)N3CCc4ccccc4C3)CC[C@@]1(C(Br)Br)[C@H]2Br	2666669	DILNGCNUERXJDL-MDASCCDHSA-N	520.103	5.257	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OC(=O)c1cccc2ccccc12	3231311	ZLHMEBGNNUPUHH-PXLXIMEGSA-N	506.514	5.702	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	6190695	CJBYDSQSCLKCLP-ZVDFNDOMSA-N	587.312	5.340	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)N/N=C/c1c(O)ccc2ccccc12	8396758	DLAJEMVZDDVCND-GSCKTCQSSA-N	648.530	5.974	50	40	KKGB	
CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCCC)cc2)C1=O	16741530	GYNRXKQSCVIWQH-DIBXZPPDSA-N	524.690	6.824	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)c(OC)cc1Cl	33354537	YDBDSLBIAALHEN-MHZLTWQESA-N	595.146	6.434	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	58926038	BTFMNGOUSQYMCO-LGJNPRDNSA-N	510.830	5.377	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)c(Cl)c1	59332862	VKRRWJTYWLBICT-JCMHNJIXSA-N	522.432	5.837	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)CC)CC[C@]4(C)[C@H]3CC[C@]12C	70692172	QPRLUWUASKOVRZ-SOAPJMSXSA-N	507.268	9.962	50	40	KKGB	biogenic
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1C(=O)O	97965576	UTTYGNPJUHWYHQ-KGENOOAVSA-N	527.374	6.425	50	40	KKGB	
Cc1nc2ccccn2c1[P@@](=Nc1ccccc1C(F)(F)F)(Oc1ccc(Br)cc1)c1ccccc1	97984563	QMISTFKUOUANCB-BHVANESWSA-N	570.349	7.902	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccc(Cl)cc1	100066481	YTTTUOCUNLXNSZ-JVWAILMASA-N	540.874	5.983	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	100130013	SFBWJAMTOMHROR-MZFJOGFUSA-N	583.541	5.785	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(C)cc2)cc1	100380184	CAFDRVWKKGYKQZ-VTNSRFBWSA-N	615.608	6.777	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)=C(C#N)[C@H]2c1ccc(Cl)cc1	102808634	MVZMLWBBQWSUBQ-GDLZYMKVSA-N	616.570	7.661	50	40	KKGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2)c1	103042200	QFUFCNKFMFTLAB-UHFFFAOYSA-N	563.720	5.255	50	40	KKGB	
C[C@H]1CCc2c(sc3nc(/C(C#N)=C\c4cc(Br)c(O)c(Br)c4)[nH]c(=O)c23)C1	104385563	BBZYSWDNSPWNLK-BVBCSLMJSA-N	521.234	5.404	50	40	KKGB	
CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341221	LYSKMRWXTNNDEQ-YFKPBYRVSA-N	816.121	10.531	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341921	ODQNOPZQCDPYCL-NRFANRHFSA-N	790.518	13.596	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342188	GXARDJUNVVDWKK-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Br	150367556	GEPMOQCRGZZDSC-UHBFCERESA-N	629.920	5.175	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Br)c1	150367562	CFDHAKZXBKXEAT-UHBFCERESA-N	629.920	5.175	50	40	KKGB	
O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C\c1ccccc1OCc1cccc(Br)c1	150391603	ZVMHFSDIGISCIN-FZKWRIDDSA-N	627.568	6.463	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCc1ccc(Br)cc1	150427470	CVXSKNNCGAAWES-WKIKZPBSSA-N	658.128	6.097	50	40	KKGB	
N#C/C(C(=O)NCCNC(=O)[C@H](C#N)C[C@H]1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1	150449356	VVUXDMIIZAYDGC-LKWULVKPSA-N	809.801	6.899	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164739609	QYFDTYSYZCPWLP-NVNXTCNLSA-N	720.088	7.235	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCC[C@@H](I)CC(F)(F)F	169795333	SBBQQLOPFDGEIK-AOOOYVTPSA-N	530.072	6.839	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1	209404554	DSAIKKVZUNLTAA-VXLYETTFSA-N	501.193	7.302	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	408532244	QBASEEZQGKNTOP-NSKAYECMSA-N	511.254	5.198	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551574	NVJXZUKQFSFMDO-RQZCQDPDSA-N	725.777	7.486	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2I)cc1	408569438	NNAAWBUQKPSLFC-IUXPMGMMSA-N	635.218	6.863	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccccc1	408570541	WNJOCUPZRFVJJH-MUFRIFMGSA-N	587.561	6.435	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)Nc1cccc(C)c1	408579909	LICLNQDCEWPLPX-VCHYOVAHSA-N	560.275	7.545	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408643058	OPAJKUCAFXKIRC-DUUJBTRBSA-N	732.590	6.418	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(I)cc1	408676883	NJDNFPHVKTWXJU-RDRPBHBLSA-N	569.443	5.633	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408680210	FYWCUSAKHRSITG-BQLFOJHWSA-N	646.119	5.237	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(Br)c(Cl)c1	408688528	QQTHYMXWUIKGNX-QXGSTGNESA-N	588.669	5.012	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(Br)cc1	408726526	UAFPVCJCPWGFSF-YVLHZVERSA-N	558.226	6.050	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408743956	IPNCNQHZQHKGKU-ODLFYWEKSA-N	522.355	5.799	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1	408744778	MVCIJPIFQUBOGJ-GRSHGNNSSA-N	598.393	5.552	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1	408749143	DTJCSVPFXXCCTJ-BIZUNTBRSA-N	515.009	5.622	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc2ccccc2c1	408754196	FCUBZJSXDFNQAH-UUYOSTAYSA-N	639.287	7.340	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408758332	IYYGZBOVNYCNKX-PXNMLYILSA-N	547.192	6.789	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408761901	MGTHDRRGTZAVGJ-STBIYBPSSA-N	567.461	5.841	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1	408783115	KDJJGCBMCWADNH-NHFJDJAPSA-N	528.472	5.078	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1	408790121	TZHCJWDYKGWWEO-MFKUBSTISA-N	602.428	6.746	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1	408792009	GMTUKRVQZQJBSK-XDHOZWIPSA-N	526.228	6.645	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c(C)c1	408795123	LBCSVAILDOSGQX-QGMBQPNBSA-N	520.243	8.042	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(I)cc1	408798674	WMIYPBTWQAWDOV-RGVLZGJSSA-N	572.830	6.695	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408798903	XETREBNZWZXGAF-WOJGMQOQSA-N	556.800	6.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408804505	XYGMRQSVTJIECB-YDZHTSKRSA-N	545.466	8.287	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC	408812414	NAGCMTFBJKGTGE-DXJNIWACSA-N	546.465	6.777	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccccc1Cl	408815055	TZTKFQVCZUXIJR-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408831685	UYTXGDUHECAJTM-ROPCREHHSA-N	678.392	6.084	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408839276	PWBIJGZKDJOECJ-BHGWPJFGSA-N	502.777	5.926	50	40	KKGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408841668	GMMONXNUAXVVBZ-WKULSOCRSA-N	612.880	6.588	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C)cc1	408843934	AKYBBHWOTCSYLL-QDTIIGTASA-N	572.253	6.618	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408844408	OLSAMLUJHYNSSZ-ODQASSKESA-N	696.454	9.283	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408846334	MXKGGRNWKIQLJM-QDTIIGTASA-N	664.250	6.450	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	408862912	NQRRULWMIWZBMD-XZYGTATASA-N	640.640	5.077	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)c1	408864189	UIIJWPCYCMDETB-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(C(C)C)cc2)cc1	408875238	HUUSLICIFPTIEF-FABQOPTDSA-N	611.595	7.178	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408879966	GIDMTXIQYNRBMT-RIYZIHGNSA-N	529.292	6.156	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c([N+](=O)[O-])c1	408884452	ZHNSGEHFKFAOJH-LZYBPNLTSA-N	621.669	6.906	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccccc1Br	408890268	QOEYBCRNPNWYSH-LICLKQGHSA-N	515.766	6.375	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1c(Cl)cccc1Cl	408895616	NPMKFUVCHGTRBB-MHWRWJLKSA-N	546.794	7.078	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OCc1cccc2ccccc12	408897433	SBKUJTCKXWTKKR-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408905107	TUGZNCHVDPMFBL-ULPWCQAASA-N	585.713	7.851	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)ccc1Br	408905542	ZAHPTVUWVFVZMV-MUXKCCDJSA-N	554.286	6.987	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccc(C#N)cc2)c(OC)c1	408948188	CGFTZWBEDACBAE-DBXYLJAYSA-N	710.969	5.282	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	408949019	QFYRPVROFBEKAL-MUUNZHRXSA-N	753.446	6.062	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408957483	URVXWOBMPCHJDO-SXWOMVPGSA-N	671.534	5.310	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c(OC)c1	408957659	VISODAHKSIPPDO-WLCOTJRJSA-N	874.470	6.357	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408966387	LHWYOXGIUVTDHU-IURWMYGYSA-N	537.897	5.678	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1Cl	408991213	PSBRFYKCHFDLFA-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1Cl	408991247	ZKVZTKYZTUBTAB-IDUWFGFVSA-N	605.670	7.206	50	40	KKGB	
O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1	408998192	AONXHJDSFMXYHD-KBVAKVRCSA-N	532.383	6.229	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409002330	NFTDIDOTOBOWQM-APTWKGOFSA-N	604.729	5.082	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)c1	409027256	CLMIXDZFMTVPSG-IOQCEILHSA-N	558.704	5.808	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)c1ccncc1	409036287	QTCREXXFZNURHL-JTAFDBABSA-N	567.432	5.355	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)OCO3	409098251	KTORCCYTRLVZNB-QFIPXVFZSA-N	695.207	5.330	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccc(Cl)cc1	409118490	NNZBVXVGBVFCPS-BIZUNTBRSA-N	579.122	5.800	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Br)cc2C)cc1	409156365	SCSGOZOCTMVJBC-WCMJOSRZSA-N	615.912	5.696	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C	409164652	LNIULRIDKQOXCT-IBBHUPRXSA-N	662.912	5.320	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)cc2c1	409183555	DDSITEHHRSNZEN-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409191583	ILBBQJKRFXOMKU-CCVNUDIWSA-N	544.833	5.591	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Br)cc1	409214612	YOUNLVKICMAXDF-KKMKTNMSSA-N	598.744	6.695	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1cccc(C)c1	409217942	FXKRNLFOKOZVAK-UHFFFAOYSA-N	589.570	6.648	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409220172	YYMAFJUJSTWAIB-FYJGNVAPSA-N	595.437	5.870	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1	409239978	NTBQTHJQVXQZQD-NSKAYECMSA-N	509.846	5.875	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)NCCCc1ccccc1	409246403	HWCXJLGVKQGNKT-BKUYFWCQSA-N	591.276	6.833	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1	409250590	NBRRAVUERQQECK-WQRHYEAKSA-N	510.377	5.874	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409255228	YNJULELAQKWAQI-HAHDFKILSA-N	611.436	5.833	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1OC	409303628	NUNROWQXWXZFKG-VYYCAZPPSA-N	558.385	5.116	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1OCC	409320541	DFWZZIJIYKYBIR-NUJZUDFISA-N	594.275	6.491	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1	409372482	DSCCDHAYLSMVKC-ODLFYWEKSA-N	522.830	7.329	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1	409373868	VSSJUVRXJKMPHY-ZRGSRPPYSA-N	520.742	5.422	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386059	NXPRSBSLQHTXOF-RPPGKUMJSA-N	575.359	5.896	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409394573	CIPNHEYTGKRMQE-UHFFFAOYSA-N	765.083	9.412	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409394977	IHYRQKZBKJKUQM-UHFFFAOYSA-N	652.288	7.796	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396179	DYEVXPPPGWPOSW-UHFFFAOYSA-N	630.528	8.149	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396286	JMHHQSPYJJTUSN-UHFFFAOYSA-N	621.615	8.389	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397948	PRXNWAPWDLXSGX-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	409405366	TTWKHWKXONCFPR-OAQYLSRUSA-N	594.064	6.022	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409410381	WAANHIWTQWHAAB-QXUDOOCXSA-N	547.611	6.558	50	40	KKGB	
CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](F)[C@H](n2ccc(=N)nc2O)O[C@]1(CCl)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	575625703	KECWVZJKGKVMCV-FFAHVWSXSA-N	646.352	5.880	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)cc1	1310298	IIEKVYROXADSLN-SSEXGKCCSA-N	551.668	6.915	50	40	KKGB	
CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCC2	2233842	RNCQYCYOXWWVEY-RVDMUPIBSA-N	529.445	7.305	50	40	KKGB	
O=C(CCl)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@@H]1c1ccc(Br)cc1	6446807	ZQVQQVXJJLSOMS-JOCHJYFZSA-N	599.710	6.637	50	40	KKGB	
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1	8385797	JYZNDQLCHFXCEM-LPZPJZPDSA-N	561.601	7.083	50	40	KKGB	biogenic,in-vitro
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(Cl)cc2)cc1	9068757	YVCWGWZWMUDRKE-OGLMXYFKSA-N	522.030	5.237	50	40	KKGB	
COc1cc(N(CCCl)CCCl)ccc1C1N(Cc2ccc(N(C)C)cc2)CCCN1Cc1ccc(N(C)C)cc1	19326914	UTBMZQUGBDHFBL-UHFFFAOYSA-N	598.663	6.518	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	20207019	MVWWWOCCANNNMY-CVKSISIWSA-N	502.061	5.024	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	20240493	YDTCXEZHGNLLME-QCFMCPCVSA-N	512.657	6.075	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	30750392	UYJOEQJMDYTJFF-LQNQUEJISA-N	518.086	6.436	50	40	KKGB	
CCCCCC(/C=N\NC(=O)CCCC(=O)N/N=C/C(=C\c1ccccc1)CCCCC)=C/c1ccccc1	33848856	YQOPSLWEKCUJDY-QBCQVCINSA-N	528.741	7.689	50	40	KKGB	
O=C(N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	33958598	NIAXPZFKROECGX-HHPODCHXSA-N	500.562	5.046	50	40	KKGB	
CCCCOc1ccc([C@H]2CC(=O)C3=C(C2)C[C@@H](c2ccc(OCCCC)cc2)[C@H]2C(=O)OC(=O)[C@@H]32)cc1	70664932	JYGVBDUPDUESNF-SPZRAPRJSA-N	516.634	6.291	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12)c1ccc(NC(=O)c2cccc(Cl)c2)cc1	97965751	HRWSJWNIYVPNCL-RQRWGXNHSA-N	587.894	8.268	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(I)cc2)=C(C#N)[C@@H]1c1ccco1	97999878	ODZXDBLFZZHTQL-RUZDIDTESA-N	626.476	5.599	50	40	KKGB	
CCOC(=O)c1nnn(-c2ccc(Cl)cc2)c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1	100138450	MTZIKKGQZLIYEY-UHFFFAOYSA-N	526.964	5.907	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cc(C)cc(C)c2)cc1OC	100304259	ZSLWQIGGNKGJKM-DPNNOFEESA-N	609.148	5.727	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)cc2)cc1	102995475	VGMHKDJTMVRDLH-UHFFFAOYSA-N	601.710	5.130	50	40	KKGB	
CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527897	QQYRTQIWNHAGLQ-RXMQYKEDSA-N	516.079	6.719	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C(\CCN1CCCC1)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	104296507	APBBCAWLTXBCGG-BYGSIJSYSA-N	523.633	5.221	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1cccc([N+](=O)[O-])c1)=N\NC(=O)c1cc(Cl)ccc1O	104316915	VQOSKOLJUKRWLW-ZBIDQWECSA-N	558.986	5.771	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C	104696704	NRFYGQCOVVFONY-SYECIKCMSA-N	536.701	6.249	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	105508873	LTCAHBBKMNIAQS-KKMKTNMSSA-N	567.223	6.406	50	40	KKGB	
Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)s2)c1	105622153	CEWLALMBLJGFFT-IPPBACCNSA-N	554.459	5.677	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118917008	QFTUAKDRYLKMFZ-HYVOMLIBSA-N	614.625	5.628	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	150385582	UIFZQJMBSVLHDK-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164734345	NPWTZWDPPYAECX-SXGWCWSVSA-N	628.091	7.485	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C/c1ccccc1O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253537661	BXTRCTCQZGWSNF-AAQCTWEQSA-N	510.719	5.249	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(C(=O)O)cc1	408543261	PYGHHQKPINACLX-NVMNQCDNSA-N	503.179	7.097	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408566571	HSHHECYCFQSUDU-CHHVJCJISA-N	517.185	7.414	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1	408568831	WXMWMBFXFFVBGQ-CCVNUDIWSA-N	515.835	6.000	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2I)c1	408570464	VKCHSAZRMXLTKZ-IPPBACCNSA-N	730.431	6.791	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccccc3)c(OC)c2)N2C(=N1)SC(C#N)=C2N	408608925	XPWPIHFODZLFTE-XMMPIXPASA-N	504.612	5.002	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)c(Cl)c1	408610298	NHXYXPIHAFWGFA-CCVNUDIWSA-N	500.382	5.368	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)NNc3cc(Br)ccc3OCc3ccccc3)CC2=O)cc1C	408611829	WUUVEOUGJOUXNQ-HXUWFJFHSA-N	508.416	5.141	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408660152	WIXSGKRZULJALQ-XMWSTLINSA-N	793.690	6.340	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Br)cc1	408711674	FFAAEKQYZLLEEF-UVHMKAGCSA-N	658.128	6.558	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408736974	KKFHUALTLHUMAQ-QNKHSMSSSA-N	677.437	7.214	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c(Cl)c1	408741973	TZAAKIUDRGZGTF-RQXXSLPSSA-N	569.108	8.636	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1C#N	408747294	LSDMBLGAWBNMHQ-JJFYIABZSA-N	502.368	5.132	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OCc1ccccc1	408748257	AXVYPLIAVUSVEK-VULFUBBASA-N	579.232	5.795	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1cccc2ccccc12	408758026	FUPCJJUBUGIHTM-HMAPJEAMSA-N	606.314	7.888	50	40	KKGB	
CC1=CC(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1	408758171	HCNJSKRSHGCDFY-NZRLAXAZSA-N	525.446	7.477	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Br)c1	408762366	OHXDHZBRNODPIB-NHDPSOOVSA-N	688.157	8.094	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408771325	HAUPNJDVSPNVMT-VFLNYLIXSA-N	544.382	5.666	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408778958	NOJHVIRWYPTXBZ-JMIUGGIZSA-N	574.302	7.896	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1cccc(F)c1	408788080	IDRQHYGAHGDPIF-YBFXNURJSA-N	572.374	5.962	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408795551	LZNBIHDWVIPHDK-CIAFOILYSA-N	535.394	5.979	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408796037	ODPSMFRQUHLRTE-GIDUJCDVSA-N	537.186	7.333	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(C)cc1	408807386	CGQKZDFFXMLUPP-NDENLUEZSA-N	509.375	6.420	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1	408827644	FNRAOXFZDHJJGD-ALQBTCKLSA-N	626.562	6.701	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	408830842	SZAJZYPGMNKLCQ-OKCVXOCRSA-N	620.953	5.638	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408835296	XCBSIHOCMQLEMA-DEDYPNTBSA-N	647.307	6.976	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408839166	ODERQJGYMKOGSM-ZISVIYDVSA-N	658.961	7.952	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc6c(c5)OCO6)c4C)cc3)cs2)cc1	408842832	LCHZSELSSNTKLW-KPGMTVGESA-N	549.656	6.762	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408843164	RQRNBQKHOANCFJ-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
C#CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408847778	UOQFUSQBVQDCSO-KBVAKVRCSA-N	589.515	6.799	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408849945	BJTIKKLDRIRBHG-RPUDKEGQSA-N	845.284	8.139	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408855185	ADSNXEVSDQHLSH-FDAWAROLSA-N	552.027	5.404	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1)c1ccccc1	408863164	PUNFXPBMFMGESS-ZCTHSVRISA-N	548.064	5.649	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	408869678	TUCNOSUPHHNXCB-FZKWRIDDSA-N	640.593	5.743	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)cc2)CC1	408872152	AAKQTGHOQDOQFT-FADJLKOXSA-N	549.719	5.806	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2cccc(Br)c2)cc1	408874205	AFRMTAJOYFHNJN-BIZUNTBRSA-N	635.540	5.121	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3Cl)cc2Br)c(OC)c1	408877502	VMEPFIMEHVAJSK-KEBDBYFISA-N	571.855	5.931	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	408881052	KBABPXRLBKHZIT-LDADJPATSA-N	532.465	5.026	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1Cc1cc(C)cc(C)c1	408884349	UDFMAGPOONGLLH-YDZHTSKRSA-N	550.440	6.752	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccccc1Cl	408886239	FVPLENHSKYIXED-VCHYOVAHSA-N	683.622	8.459	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408888620	XXXUJMIFQGREEO-LICLKQGHSA-N	611.235	7.582	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2Br)cc1	408888941	CYDXHNHHJMLGFG-GZTJUZNOSA-N	669.189	6.904	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(C)cc1	408904452	JRPRVPJUVAHXAE-MUXKCCDJSA-N	552.381	6.154	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1F	408924896	PJUCUMAMOADPDI-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Br	408940682	CTKGUIWVFVHERA-GDLZYMKVSA-N	736.472	6.229	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(C)c2)c(Br)c1	408940818	CZQQDGPFIDHULE-NDEPHWFRSA-N	686.028	5.875	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C#N)cc2)c(OCC)c1	408944592	JBSGBNKNQCHCLL-PMERELPUSA-N	753.619	5.026	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1cccc(F)c1	408951245	IDWJGMDPLWCABJ-WTIDAYISSA-N	674.726	5.261	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408952488	WDIMEVHFGMGNRR-HHHXNRCGSA-N	807.461	5.216	50	40	KKGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1cc2cc(Br)cc(Br)c2o1	408963920	PZUAXDNHRCWGJG-IFRROFPPSA-N	563.971	5.032	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1Cl	408968997	FMGPJOINKQSASR-RHGLVLOASA-N	553.273	5.945	50	40	KKGB	
CCCOc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1	408970803	KNOMAGKCMWUXSH-FXRRECNFSA-N	542.463	5.427	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1Cl	408981326	ATPFAKDQLNMUCO-YBFXNURJSA-N	529.809	6.515	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408983426	MAGFJKTUGCRUOF-VXLYETTFSA-N	526.376	6.733	50	40	KKGB	
COc1ccc(SCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408992648	ARUYEOMELPTZDA-PPDIBHTLSA-N	702.308	5.424	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408997334	NTHLSFJNYKHVJN-DPWJMMOYSA-N	668.169	7.183	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409006616	JRSSJYNVBRNJMR-MWLSYYOVSA-N	589.736	7.343	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409009100	BJBIMXOBHAYXIJ-ACXHZZMFSA-N	513.516	5.123	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	409028244	KHNGPJXHGPZNPE-KCSSXMTESA-N	617.555	5.167	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409043341	FBOKBSFOUYJOGW-OHUYPAJKSA-N	662.325	7.612	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCc1ccccc1Cl	409051753	GAXUNVZYSBDWAX-XODNFHPESA-N	583.253	6.648	50	40	KKGB	
Cc1ccc(COc2c(Br)cc([C@@H]3C(C#N)=C(N)Oc4cc5c(cc43)OCO5)cc2Br)cc1	409094413	CZRYQMJZJWXEEL-QHCPKHFHSA-N	570.237	6.046	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1cccs1	409164616	LAAMTNXQMOCOLC-WKULSOCRSA-N	524.429	6.650	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409191061	RYOZCEVSMCARTP-MFOYZWKCSA-N	538.269	6.699	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(Cl)cc1	409217663	DZRMRUDEFYRIRC-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccc(C)cc1	409218066	HACAIQQWAUUQIQ-UHFFFAOYSA-N	521.573	5.547	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2)c1	409218332	ICIUKYTXZFKDOM-FYAGTPRPSA-N	681.768	7.500	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1F	409222257	WKCCYUNMZCCNDO-SXGWCWSVSA-N	506.297	6.560	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OCC)c3)c2)cc1OCC	409225404	QHYJFIVZOQDXDI-UHFFFAOYSA-N	685.730	6.144	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)ccc1OC(=O)c1ccccc1	409226197	PQICAOJHVFAKSD-UHFFFAOYSA-N	537.572	5.329	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1O[C@H](C)CC	409233247	UJGAHRBQCQHHPD-SLVCOGOPSA-N	511.338	6.590	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409250804	NZVDTZOKOXAGHG-PKIWBCANSA-N	613.427	5.631	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)ccc1OCc1ccccc1	409253711	BVUCRYFUAJJZNM-UCMJSZAQSA-N	537.616	5.754	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1OC	409309597	JODPXOKWBUTFBW-NTFVMDSBSA-N	527.415	5.598	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OC	409311673	HBSJEGSWEHQKIM-APTWKGOFSA-N	591.502	7.141	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccccc1	409313839	JDIAOCOCSNNHDX-KYHGBAKBSA-N	535.427	6.924	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N	409333071	BQQHGORBYNRLPY-QQJPHHRISA-N	715.289	5.381	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1ccccc1F	409371703	KPZGJCUNNBUOTB-MTJSOVHGSA-N	537.226	8.147	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386656	QZZLXTMBQAWAEW-AMVVHIIESA-N	733.325	7.515	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)cc1OCC	409394862	GVHTYADQLKOXGS-UHFFFAOYSA-N	764.858	8.665	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccccc1Cl	409395307	MCYHKAZCBFOFFQ-UHFFFAOYSA-N	730.638	8.759	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(C)=O	409396026	VMEJOWOSBTUBRH-UHFFFAOYSA-N	765.411	7.294	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)cc1	409396064	VWZLJNUDCAWWEK-UHFFFAOYSA-N	711.794	8.014	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Br)cc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396239	HVRMUORHFFKVNA-UHFFFAOYSA-N	739.450	9.083	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398562	UNTFZJVMCJLNQM-UHFFFAOYSA-N	600.990	6.917	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409401024	FZVJMANVWGDSSV-CNCDYAKUSA-N	767.358	6.181	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Sc4ccccc4)cc3)o2)cc1	409409791	RDXLOQXBXSGZAD-RGXNXFOYSA-N	521.642	7.181	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	1529548212	AZELETRTWUQBIK-NAYCSMFGSA-N	751.443	6.128	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(I)cc1	1529548497	HPKSZCQWTUGDBA-YLDRGEGNSA-N	768.674	5.882	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1	1529548605	JWQBTCSWEFOTTK-STNFJLQYSA-N	631.936	5.248	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccc(Cl)cc1	1529549450	ZJZQBHZVTJFCHH-CKRMDNAKSA-N	702.027	5.575	50	40	KKGB	
CN([C@H](c1ccc2ccccc2c1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)[S@](=O)C(C)(C)C	1857795071	KFGARSGGJZRQOI-KCWZFZKISA-N	667.855	9.513	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1	1252157	TWEXLUXBBVONCL-RUZDIDTESA-N	584.916	6.748	50	40	KKGB	
CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4s3)c3ccccc32)C1	2238595	LUWXUXUTUWTXLM-HIEVEUOTSA-N	533.723	5.114	50	40	KKGB	
Cc1cc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)ccc1Cl	3038215	MWWONGWBCKCRDH-IPBVOBEMSA-N	598.650	6.061	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)N(c4ccc(C)c(C)c4)CN3C2)cc1C	12250566	FMRANBUMSGUEPH-NDEPHWFRSA-N	501.099	7.298	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccccc1OCc1cccc2ccccc12	13570115	IWSGBEBRNMIGFP-UXHLAJHPSA-N	521.602	5.215	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@H]1c1ccco1	20136752	DHRZJYPILKCDJA-QHCPKHFHSA-N	503.555	5.187	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	59117460	OMPBEMAYDOHQAY-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	96933936	UHTZTMIVKGRCEH-MHZLTWQESA-N	529.065	6.355	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(F)cc1	97960916	MNFWPEIRIBAUPI-VFLNYLIXSA-N	545.792	6.729	50	40	KKGB	
CCc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(OC)c(CSc4nc(C)cc(C(F)F)n4)c3)sc2c1	97965687	AXTWRUNMJALUPE-PNQUVVCRSA-N	561.079	7.218	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1OC	97968705	UDUFSQFQJRKKEV-TUJXDINHSA-N	548.064	5.142	50	40	KKGB	
Cc1c(/C(=C2\C=C(C(C)C)C(=O)[C@H](Br)[C@@H]2C)c2ccccc2S(=O)(=O)O)cc(C(C)C)c(O)c1Br	100072729	WRGLGAHSPIPXCI-LKUKGLSFSA-N	626.407	7.200	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1	100122674	CFKOISJTLMCREQ-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1Br	100128139	IKXLYYGGPRZMLZ-STBIYBPSSA-N	610.490	5.110	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OCc1ccccc1Cl	100135499	NDPNUMATGXJIFU-LICLKQGHSA-N	521.322	7.145	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)o2)cc1	100211263	GGYGTMQVAOQVCW-ZCTHSVRISA-N	559.644	5.086	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Br)cc1	100232678	ZQDDWHRTPTVESW-WOJGMQOQSA-N	590.699	7.388	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	100336649	KDWQYIYSLKGDLM-ZDLGFXPLSA-N	591.199	6.614	50	40	KKGB	
C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100797748	RDEJKVICRYZPGQ-MVJHLKBCSA-N	550.622	7.446	50	40	KKGB	
CCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1	100879179	JKVNLKREIUTQNT-KGENOOAVSA-N	528.505	7.936	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccc2c(c1)OCO2	100935154	AAVHDAGBXWGPFM-JDXFJAFMSA-N	576.008	5.035	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(F)c3)=C(C#N)[C@@H]2c2ccco2)c1	102808546	VZHKEIKGZZVGDV-AREMUKBSSA-N	548.596	5.142	50	40	KKGB	
N#C/C(C(=O)NC1CCCCC1)=C(/Nc1ccc(Cl)cc1)SCC(=O)Nc1c(Cl)cccc1Cl	102899430	UQKRMYMMCFTGPR-HKOYGPOVSA-N	537.900	6.615	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(Cl)cc1Cl	103861073	XPYFDIZNNMOUCM-DJKKODMXSA-N	560.275	7.506	50	40	KKGB	
O=C(CCl)Nc1ccc(C2(c3ccc(NC(=O)CCl)cc3)c3ccccc3C(=O)c3ccccc32)cc1	106187914	LSFNEJJNNKXWFP-UHFFFAOYSA-N	529.423	5.968	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342042	UWRIJLIFALSCAS-UWTATZPHSA-N	642.009	7.752	50	40	KKGB	
Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3n[nH]c(=O)[nH]3)c(SSc3cc(Cl)c(C(=O)Nc4ccc(C)cc4)cc3S(=O)(=O)Nc3n[nH]c(=O)[nH]3)cc2Cl)cc1	195486986	FRDWEFAPQBAWTA-UHFFFAOYSA-N	877.796	5.339	50	40	KKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cc(Br)cc(Br)c1O)[C@@H](C)CC(C)(C)N2C	208212425	SFHMXHNSKVRFCE-BTIIEKFUSA-N	523.269	5.712	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Br)cc1	408529409	JMOSDDFIDAQAJO-MFOYZWKCSA-N	582.517	8.271	50	40	KKGB	
COc1cc(COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2)ccc1OCc1ccccc1	408538380	LWTPSOZCALJDRD-MTDXEUNCSA-N	504.586	6.077	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408568510	JZXGUGWZQPOYBS-PNQUVVCRSA-N	785.294	7.789	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408643201	FUDDXYYVBMXBLF-SNUHMCFMSA-N	657.186	5.708	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408663307	YJCZULLNZDOHBI-AXAFYDDRSA-N	783.684	6.884	50	40	KKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCc1ccccc1Cl	408691661	KSFOHDMGNDWBBG-ODLFYWEKSA-N	522.830	7.037	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)ccc1I	408747884	VFMMGEIUGMUOCU-WCMJOSRZSA-N	613.883	6.704	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)C(=O)Nc1cccc(Cl)c1	408761003	BUFHHNXVCQWRFF-SFQUDFHCSA-N	557.775	5.508	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408776741	QWUCOUHFOLLGIT-OCKHKDLRSA-N	560.275	7.506	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408789362	PEJRFTCFKMCSAD-VCHYOVAHSA-N	709.234	5.715	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)Nc1cccc(Br)c1	408797271	RAMWIFVIUYVJHS-SFQUDFHCSA-N	510.775	5.666	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1cccc(C)c1	408811268	ARXGDRGUUSPSIE-QRVIBDJDSA-N	535.438	5.967	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408816966	KKCSAOYXSCTGLK-GRSHGNNSSA-N	695.251	5.615	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408821948	AQNOEMYUEFOYEH-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408825277	ICBJPPVCKTZUHB-JJIBRWJFSA-N	573.874	7.806	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408832696	IHURGAXKWBOEHR-SSDVNMTOSA-N	676.811	10.056	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccc(Cl)cc2)cc1	408842000	NEJCKTXTCJSGLA-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408844001	USUJACIXPANOFG-JWHWKPFMSA-N	575.690	6.425	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc(C)c1OCc1ccc(Cl)cc1	408848187	QHVSMNMEJZVIFX-LUOAPIJWSA-N	566.677	6.530	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408856327	FPQGECZUADNWRD-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408861822	DLNRVLSDTIGQLA-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OC(=O)c1ccccc1	408879188	CYWXUSDMVYEXKT-LDADJPATSA-N	570.237	6.375	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1cccc2ccccc12	408879380	FXIJKWBJBKUKJX-LPYMAVHISA-N	561.863	7.697	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408890021	MRDDYIAHUHYGNO-WOJGMQOQSA-N	566.364	5.529	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(OCC)c1	408945106	KDASUUITTUBXPG-XIFFEERXSA-N	778.669	6.307	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408948014	ONSKVPDGNGWBHR-JGCGQSQUSA-N	687.775	5.186	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(C(=O)OCC)cc1	408952668	WLPMEEKBGSYYGA-GDLZYMKVSA-N	788.515	5.852	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408954381	ZCTPLTUXTUACLE-HHHXNRCGSA-N	854.461	5.058	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408954909	NQVCAAFFNMQBEU-NDZAJKAJSA-N	530.602	5.114	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408958683	ZWIWXSOMGUVYBQ-IRWRTZFPSA-N	869.407	5.112	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408967315	UWRAPMPQQLOZAY-LUOAPIJWSA-N	563.191	6.753	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cccc(C)c1	408984085	PPXKITRPQRQAPD-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	408998486	UTBIANIFICUUKW-RSEYIHLLSA-N	619.794	8.795	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc(OC)c1OC	409002503	NXLPEXZQJZUSSU-FABQOPTDSA-N	646.494	6.019	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)c2)cc1C	409015685	PMGFIZWTFWSHCI-QDTIIGTASA-N	500.382	5.157	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1cccc2ccccc12	409018920	YPTCUWWHZZQNFN-ZMGVVAQMSA-N	577.862	7.744	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	409029453	AZNNURQSFQAHIE-OCSSWDANSA-N	622.488	6.333	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1	409070359	FOVDGXPVLUFTCJ-LFIBNONCSA-N	503.363	5.315	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409080500	DXCYUYUPYKKVPF-DEDYPNTBSA-N	514.494	5.887	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	409086478	VSDXHZFTSUCQDK-MHWRWJLKSA-N	523.299	5.912	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1cccc(Cl)c1	409111080	AYJBVXYPUHYHOI-VTNSRFBWSA-N	597.068	5.003	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1I	409140013	HINGNXZYUMIDMJ-LSHDLFTRSA-N	582.607	5.029	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(OCC)c2)cc1	409152077	DIDQTFPPBZKKQR-WCMJOSRZSA-N	585.444	5.063	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	409185170	STXRBBDRINFPLY-FABQOPTDSA-N	582.648	6.075	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1	409185515	ZRDMUOFBOWDVIT-ILFYHVLKSA-N	695.241	7.064	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409219991	WZTOSEFNWZDLSQ-UHFFFAOYSA-N	542.935	5.484	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccccc1Cl	409256015	NINYMYLAMZTOGM-KVAAJVFYSA-N	616.530	7.642	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1Cl	409269092	DZFLKFMBNOGNAK-BCHBDCPOSA-N	624.673	5.863	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1OCC	409317718	RXORWUDUSWEHKK-UHBFCERESA-N	575.887	6.642	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1OC	409323829	RAZXJPKSXNARHE-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2)ccc1OCc1ccccc1	409327327	SGMBPTPKOCDPHP-MNBJERMJSA-N	500.982	6.271	50	40	KKGB	
O=C(NNC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1ccc(NC(=O)c2ccccc2)cc1	409369941	HZCDGZFYWSMRRB-CLJLJLNGSA-N	731.558	5.273	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2cccc(C)c2)c(I)c1	409372752	IXTQOGWORGSZPP-FJEPWZHXSA-N	676.292	6.709	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCC(=O)Nc1ccccc1	409385373	JYIWZBMBDXQJDW-CCVNUDIWSA-N	644.447	5.594	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)cc1	409387262	PCWRJHRDLBVWIY-SFQUDFHCSA-N	540.801	5.674	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409395076	JMYPOQRWLCMZRN-UHFFFAOYSA-N	613.424	6.497	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)c1	409395543	OXGAXOGQMBRPDX-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409395823	SDMOHHZCYAAKHU-UHFFFAOYSA-N	676.321	7.560	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(I)cccc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396578	XOAZOLXIMZCCID-UHFFFAOYSA-N	752.005	8.272	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397049	FOKZQVRBLWEGBZ-UHFFFAOYSA-N	615.564	6.964	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409397314	IOIIFIZYONKHBR-UHFFFAOYSA-N	612.480	6.988	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409397725	NGHINIUJNLSOHE-UHFFFAOYSA-N	676.951	7.650	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398726	VLNWNQXXVOVDIS-UHFFFAOYSA-N	600.502	8.140	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409399283	YWNZVTYKAPFNOP-UHFFFAOYSA-N	685.789	8.939	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OC(C)(C)C)o2)cc1	409401088	GJJJHOKZWXIFEC-ACXHZZMFSA-N	565.026	6.769	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)o2)cc1	409408134	IUBPGTCXTNRACL-UPAWIBAXSA-N	649.616	6.465	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)o2)cc1	409410105	TYCKRIJDOVGJDW-ZMGVVAQMSA-N	557.990	6.642	50	40	KKGB	
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	604941312	UHCDRCBBCZLXBO-YLNPCYLLSA-N	641.186	12.671	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	1529544918	STQCMXOKAIOSTF-AMLSOKQWSA-N	587.485	5.138	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1	1529548742	MZXMWQUCFATKJT-IZQZZFRNSA-N	655.148	5.342	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cccc(Br)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1	2888288	WIKUGQIWBDTKHF-JSIHEXFSSA-N	522.424	5.093	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)COc2ccccc2C)c1	3113443	YQADOYYENKOEQU-UVHMKAGCSA-N	560.242	5.577	50	40	KKGB	
COc1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	4045294	LXVFCPQOZQMSBZ-PDDXABJKSA-N	511.987	6.550	50	40	KKGB	
COc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C(/C)c3ccc(C)cc3)n2-c2ccccc2)cc1	8398290	UTHMXDZPSZZEKO-UXHZFSCMSA-N	514.655	5.217	50	40	KKGB	
N#CC1=C2SCN(c3ccccc3F)CN2C(=O)C[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	12251111	YQIKWZGHMRFLDT-QFIPXVFZSA-N	506.002	6.278	50	40	KKGB	
C/C(CCC(C)C)=N\NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1	12651607	AQBZRRLECYEQAS-PCLIKHOPSA-N	510.270	6.641	50	40	KKGB	
CCOc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1	14186398	CSKBRYVKWPELOV-UHFFFAOYSA-N	520.095	5.643	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	59222088	WIYYQZGQPIYWIF-KEIPNQJHSA-N	594.774	6.545	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccc(C)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	59647064	CLIJEBWEOAONFS-JYNCRIJLSA-N	539.701	6.382	50	40	KKGB	
Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)/C(=C/c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)c2)cc1C	97964242	AFDRCSQQCSZDBC-RHHADUNXSA-N	560.658	6.412	50	40	KKGB	
O=C(COc1cccc(Br)c1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)c(OC(=O)c2ccc(Br)cc2)c1	98001650	ZIOZPVXJKZTVOT-MHDJOFBISA-N	731.191	6.942	50	40	KKGB	
CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc(Br)c1O	98048421	BDTPWMVAAZXOFP-INIZCTEOSA-N	565.287	5.535	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccc(OC)cc3)=C(C#N)[C@H]2c2ccccc2)cc1	98048566	SBBILYBSALDOCM-GDLZYMKVSA-N	567.667	5.823	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100141644	FZEGRWIXPGBGGR-FZPRHHONSA-N	613.523	5.052	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1	100178498	MJZOTXCYIINYGW-PSORJPDMSA-N	576.052	5.244	50	40	KKGB	
CC(C)C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	102021129	HZPHPXJDIYUAJY-NSHDSACASA-N	520.152	5.825	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)c1ccc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc1	102512660	QPLKZPTUMFSLFP-CYRJMILMSA-N	548.010	5.936	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528823	LNUWHMGDMVMTMA-REOHCLBHSA-N	541.995	6.481	50	40	KKGB	
CC(C)c1ccc(S(=O)(=O)Nc2cc(SSc3cc(NS(=O)(=O)c4ccc(C(C)C)cc4)c4ccccc4c3O)c(O)c3ccccc23)cc1	150399662	IWMZKBKCGGUFHO-UHFFFAOYSA-N	744.982	10.052	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	150434808	TZFUGBWNJSFOOR-ZHQYQSJASA-N	660.104	7.547	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(I)cc1	164748013	FAYPVHCRGSNMQG-STZFKDTASA-N	633.313	7.850	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCC	408567922	GWQKHLSQFKREDK-ZMOGYAJESA-N	572.490	5.096	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1F	408570039	RQAHPYLNUYOHKW-CCVNUDIWSA-N	561.498	6.175	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(C(=O)OC)cc1	408604488	JULALDABPBJAPL-HYARGMPZSA-N	524.577	5.447	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl	408608322	HDHRWXWIAFRFDY-VFLNYLIXSA-N	520.800	5.001	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408640767	IRQJOQCCFNCCBE-NVPYSNMXSA-N	737.228	6.375	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl	408719495	MRBCAURAJPLDBT-LPYMAVHISA-N	602.352	9.765	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccc([N+](=O)[O-])cc1	408723350	SDIPQJMALRSXEW-WVLDPRMZSA-N	576.996	5.215	50	40	KKGB	
O=C(N/N=C(\COc1ccccc1)c1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1	408734050	GLHDTWWMOVZAHR-URGPHPNLSA-N	515.407	5.285	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408747536	PIMSVAMVCABLIC-JAIQZWGSSA-N	522.355	5.168	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408753218	FKOYPWGIQYXTFV-CCVNUDIWSA-N	505.290	5.380	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1O	408755401	URRLVABUCLZMAS-WZUFQYTHSA-N	503.123	5.248	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccccc1[N+](=O)[O-]	408757703	BTHYOVNTGGHVFJ-JFLMPSFJSA-N	504.340	5.853	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Br)c1	408763030	GWRXFWGLNUDERC-JAIQZWGSSA-N	688.157	8.094	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12	408763918	QCFXGLJNPQZJTJ-XMHGGMMESA-N	578.400	5.824	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1	408784449	BZUCKZAJGIEMHD-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccc(O)cc1	408788683	LZZZTEUEXLWFPK-GIJQJNRQSA-N	600.210	5.756	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408790651	XNLOMFWCFFDBEI-FRKPEAEDSA-N	577.218	6.797	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408790716	XWWKEWHHWRNSGF-FYJGNVAPSA-N	539.857	7.188	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408794468	IMNQRCHFVYYMAN-OMCISZLKSA-N	723.563	8.289	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(I)cc1	408799037	XZQGDLCXLOHBAE-BUVRLJJBSA-N	650.900	7.657	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408799207	YKKYRCMPIBFPES-GIJQJNRQSA-N	545.806	6.868	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1cccc(C)c1	408812336	MSPJIBIXJKMMDZ-MYYYXRDXSA-N	531.450	6.297	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)c1ccccc1	408826137	SVQCJGBQIHLBPC-VYUMYAIBSA-N	560.075	6.108	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	408830446	PNPVBFIEVYSFED-FPWVPGCSSA-N	722.356	7.392	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)c(OC)cc1Cl	408832877	RZVVWSZMLSUDRB-XDHOZWIPSA-N	567.856	7.942	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccc(C)cc1	408834374	YFIJQKMZDABGAN-DPNNOFEESA-N	593.149	6.027	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408834430	ZXNOXMXKAIABBJ-ATZGPIRCSA-N	612.070	6.200	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c(OC)cc1Cl	408835120	MLYTYKRHQJXYOR-RQZCQDPDSA-N	501.341	6.274	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408837666	KYQDXUAUNCOQEV-VPUKRXIYSA-N	602.765	7.380	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408840496	GOVVQZBIMIXPCG-DPNNOFEESA-N	597.568	6.617	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccccc1C#N	408851606	LQOSNNWVRXPIRB-KYHGBAKBSA-N	558.432	6.537	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408853789	SDQGTMXPVBICPM-FXMZOFOKSA-N	732.992	7.668	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	408860324	YWDLDVYCKLHJNG-WEMUVCOSSA-N	556.644	5.038	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OCC)cc2)cc1OC	408861952	BYNAUNNEEKDRRR-UXHLAJHPSA-N	616.534	5.075	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408862037	WPSIHYIFIDOSSL-SUGRXFNRSA-N	796.549	5.558	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccc(C(C)C)cc2)cc1	408863971	RXILCQTUEVRXKI-FMFFXOCNSA-N	556.732	6.180	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1Cc1ccccc1Br	408877529	SBWVRDHCYDWYKS-VXLYETTFSA-N	588.727	7.709	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccccc1Br	408890335	RNYNFVQYWVSGJT-UDWIEESQSA-N	614.290	6.522	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408891956	WHOWPEBNFCHREU-RGVLZGJSSA-N	518.356	7.179	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1	408925292	QXCWXEOQHACCPH-XHLNEMQHSA-N	621.096	8.691	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc(F)cc2)cc1Br	408939746	BJGVYFXQKSKATD-LJAQVGFWSA-N	685.572	5.061	50	40	KKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)COc2ccccc2I)c1C	408960354	LDIVSMDVCCNAKQ-WGARJPEWSA-N	515.395	5.099	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408971193	DFRPRVYUUPILIN-BSKOERCASA-N	738.293	8.287	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409034948	RNAIQEKFBRWKCV-MWBNBJEGSA-N	549.461	7.976	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	409036783	BLZYOBDTEBIAHX-KUAZKQCOSA-N	560.053	5.544	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	409043667	SYGZQZHVLCLNIJ-CXUHLZMHSA-N	575.188	6.384	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)cc1Cl	409046562	RNVSDBDTMYXJQL-PEWBWCDISA-N	614.916	6.922	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	409054352	VCDOVDMDNAEGDO-IPBVOBEMSA-N	603.671	6.911	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1	409057700	LVGOJTVTDUVCFH-XODNFHPESA-N	570.882	5.005	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1	409084571	PRMFFLBPFAXTHB-OQLLNIDSSA-N	511.244	6.030	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409123335	GFMPMMPWBUVZAC-RUZDIDTESA-N	510.009	5.441	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccc(Br)cc1	409138044	ZBLJMYHGKMDOGE-QHCPKHFHSA-N	558.226	5.723	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C2=C1CCCC2=O	409138370	AQBSXYILIUUHLO-OAQYLSRUSA-N	682.256	5.113	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2I)c1	409213452	VKMRWEMWQLGUML-LGJNPRDNSA-N	550.849	6.074	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c2)cc1	409218536	FROPTEPKFSPLDU-UHFFFAOYSA-N	635.312	6.755	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409226844	XIJOHEDYPAVEEY-XSFVSMFZSA-N	533.968	5.088	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409226939	WQGPRICNKWBGMX-OVCLIPMQSA-N	657.668	7.447	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409261314	CUYDXPSQPKZLRH-QMRORBIVSA-N	719.459	8.169	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409264057	KLJKKNJTQYBTHR-WBIBEUCMSA-N	731.616	7.647	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409264749	RUCBKYKRLWRBNM-YBFXNURJSA-N	568.855	6.291	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409265692	NWGMIXAUQLXWCJ-SXGWCWSVSA-N	622.246	6.170	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(OCC)c1OCc1ccc(Br)cc1	409301032	CAUVMXGOGDGVMF-NLRVBDNBSA-N	524.458	8.373	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1OCC	409317281	PNPQOFJBKNQSGE-MNDYBZJGSA-N	519.400	6.663	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	409362617	IPSGMNNHUCSFRY-MUXKCCDJSA-N	703.156	6.493	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1cccc(F)c1	409384383	BYCCNMCSNYJWSC-XODNFHPESA-N	572.412	6.453	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395582	PJVAQIFLVSHJNP-UHFFFAOYSA-N	787.736	10.034	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)cc(OC)c1OC	409395635	QCKUNQPWBBBREG-UHFFFAOYSA-N	833.271	7.973	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395883	SUCAGRZGSUNYHW-UHFFFAOYSA-N	846.528	9.908	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395905	TVKMDEUJRVKUKR-UHFFFAOYSA-N	731.184	8.558	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)cc1	409395978	UTXVOIBLBLHPTB-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397115	GKAOTPFBSYESDE-UHFFFAOYSA-N	612.480	6.988	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397372	JERTTZSBPZYLJQ-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1cccc(C(=O)O)c1	409401035	GCDRGMQRHJAEDA-WBIBEUCMSA-N	652.660	6.614	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2)cc1	409407185	YYNPEXHGQLNBEE-OJYCWLPVSA-N	576.653	6.356	50	40	KKGB	
Cc1ccnc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)c1	409407334	FHRKDVYJKYGOJB-OHUYPAJKSA-N	521.621	6.141	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c3)o2)cc1	409407481	ZWFZTKCASCMVBL-KDMZMTIXSA-N	580.981	5.444	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)o2)cc1	409409392	OPYMTTQCILXSGD-LJUMEUDFSA-N	523.545	5.988	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	1529545002	UASCYDSJHMFARE-JYALLGCPSA-N	655.546	5.052	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1	1529549156	TVYOPOULGFVVIQ-AYSITGFNSA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)OCC)cc1	1529549234	WLPMEEKBGSYYGA-NZDCISMZSA-N	788.515	5.852	50	40	KKGB	
CC[C@H](C)[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2C2=N[C@@H]([C@@H](C)CC)CO2)=N1	1987974915	ACMOYIAYNMBCRK-WLGONLEPSA-N	512.634	5.828	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1	659854	BBKIRRUJTVGUKX-CCVNUDIWSA-N	509.937	5.089	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	706250	AMSLLWHBVZGQAZ-QHCPKHFHSA-N	516.667	5.530	50	40	KKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1cc2c(cc1Br)OCO2	718462	XPQOMELYOAUPAG-INIZCTEOSA-N	506.143	5.093	50	40	KKGB	
CC(C)Cc1ccc(-c2n[nH]c3c2[C@H](c2cc(Br)ccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1	985841	BLTWCOMAYMADJQ-HSZRJFAPSA-N	578.467	5.087	50	40	KKGB	
COc1ccc(Cl)cc1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	2278345	XCUNUAUAIJZJOU-RAXLEYEMSA-N	514.788	6.318	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1	2292767	VMFKSXTWIDMXEU-CCVNUDIWSA-N	540.432	5.369	50	40	KKGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1	2589607	JOHTXUHJYQZQSZ-PLHXNBSTSA-N	580.688	6.883	50	40	KKGB	
C[C@@]12CC[C@@H](OC(=O)Cc3ccc(N(CCCl)CCCl)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12	5389772	JMZJBCNHUJOLER-XTOSCTCUSA-N	563.610	6.336	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3cc(OC)ccc3OC)cc2)sc2c1CC[C@H](C)C2	6167539	ZBQDMLDTVZAFEQ-FZRIXYKNSA-N	593.702	5.237	50	40	KKGB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1cccc3ccccc13)N2	6475389	XQCNVVBTGRHNPQ-ZPHQVYNISA-N	532.021	7.695	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(Br)cc3)cc2)cc1	8399472	CCKDBDFUMZFWIX-FPDMBJSUSA-N	583.486	6.586	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	8927178	WTRIGIZDAKQYIP-VEILYXNESA-N	503.628	5.466	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1	9291977	YTDYGZJQQKCIIX-NBVRZTHBSA-N	500.942	5.311	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c(O)c1	17201308	WQEYJZHUUFWRJQ-MWLSYYOVSA-N	522.074	5.532	50	40	KKGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3cccc(Cl)c3)c2C)c1	20243663	PKXSKAGRSSHYLA-RPPGKUMJSA-N	504.881	6.202	50	40	KKGB	
CC(C)COC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1	40476992	PETORJVFJSDVGL-PDGQHHTCSA-N	516.535	5.614	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc2ccccc2c1	59334368	JAGNOJRLJKCJCA-JAIQZWGSSA-N	512.347	5.027	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1	59336438	MOPSUJULTITFOC-WQRHYEAKSA-N	501.797	7.170	50	40	KKGB	
O=C1OC(=O)c2cc(Oc3cccc(-n4c(=O)c5cc6c(=O)n(-c7cccc(Oc8ccc9c(c8)C(=O)OC9=O)c7)c(=O)c6c(C(=O)c6ccccc6)c5c4=O)c3)ccc21	98001508	RLULASUKQNNZTP-UHFFFAOYSA-N	796.656	5.328	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccccc1	100220942	SVDSFPOVGWYCID-RUMWWMSVSA-N	537.641	5.737	50	40	KKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1	100879069	ONEQXXDSNCFRFJ-LFVJCYFKSA-N	522.114	7.981	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNC(=O)c1ccc(OCc2ccccc2)cc1	101007335	BOAFGRALHTUMSB-XHPQRKPJSA-N	594.158	6.142	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(Cl)cc1	104401940	AFBJYRUGUMHLDE-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341931	JVRKZTWHEYJEDI-NRFANRHFSA-N	840.525	14.231	50	40	KKGB	
Fc1cc(N(CCCl)CCCl)ccc1C1N(Cc2ccc(N(CCCl)CCCl)cc2Cl)CCCN1Cc1ccc(N(CCCl)CCCl)cc1Cl	150374454	PYMOTVDQUHJKNO-UHFFFAOYSA-N	849.405	10.391	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1C#N	164474281	HQENSTJXJQOMJN-HASSKWOGSA-N	634.534	6.824	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164701685	OKALZLUAFGFNHF-STZFKDTASA-N	720.305	5.639	50	40	KKGB	
O=C1OC2(c3cc(NC(=S)Nc4ccc(B(O)O)cc4)ccc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br	216662437	CHDHUSSFDRPPOT-UHFFFAOYSA-N	841.919	6.205	50	40	KKGB	
CC(=O)[C@@H]1[C@H](SS[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2C(C)=O)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C	254645424	NHJXCPWVTGRSKZ-MVRXFHAQSA-N	695.088	9.383	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)cc1Cl	408581460	XAKJTFKSMMBBRM-OQLLNIDSSA-N	536.640	7.491	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1C	408637663	MOMPDEYAEWYSRE-QFQXNSOFSA-N	523.988	6.011	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408641367	KDUCREYYLFDKCF-HNNXBMFYSA-N	849.354	8.716	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408644843	TVMGZTLZBCWRKZ-WLVWHVFCSA-N	683.191	5.142	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1ccc(Br)cc1	408710731	XYDSPXSKGVZQBS-CCVNUDIWSA-N	592.284	5.970	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(Cl)cc1	408725299	KNLJGSDPONBXQZ-YVLHZVERSA-N	560.775	5.783	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408744851	NQDXJWLLJRBVSY-PGMHBOJBSA-N	573.472	7.462	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408761245	CTIUIKAXHAPTRX-BOPFTXTBSA-N	653.292	5.684	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408764723	VFHKKIPGUVNTJD-GRSHGNNSSA-N	600.263	6.433	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccccc1F	408765767	QAXPSNTXXXMXFF-MFOYZWKCSA-N	515.766	6.375	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408772865	IPKFJYFQDJNWEE-UQQQWYQISA-N	562.497	6.565	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	408774337	CCOOOZXKWYSSCG-TURZUDJPSA-N	542.499	5.482	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccc(C)cc1	408774526	MDBKLYDZHFGWOT-BKUYFWCQSA-N	567.427	5.799	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1	408780718	IZCYJUFMJBFDGI-IWBSIUBASA-N	560.119	6.782	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408791232	VDTGMGWKCIUYGM-VCHYOVAHSA-N	567.352	5.789	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408794467	SIEKRJLTLTZLFD-DEDYPNTBSA-N	662.265	6.585	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1	408826582	HJPLIAKRQMZXJS-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408826959	DVIXYOSRWKECJC-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)cc2)cc1	408831861	HOIDAQRDJKQOQI-MFKUBSTISA-N	543.450	8.006	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)Cc1ccccc1	408838678	HAGSMBMIVXOFDS-ZSNJKBEMSA-N	626.134	7.426	50	40	KKGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408845800	RSZIPKILEUGSHS-RPPGKUMJSA-N	513.362	6.133	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc(I)cc5)c(I)c4)cc3)cs2)cc1	408848309	VRUCPUIOHKPUTF-QNVXDBMFSA-N	849.330	9.177	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(F)c1	408850592	OUJLZWGJHQHBIC-FDVSRXAVSA-N	507.359	6.406	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408851420	YZVICYXTMXMFMJ-DBSPGSINSA-N	699.545	7.497	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408857343	NUWDLCITRIFRTR-JWGURIENSA-N	610.519	6.840	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)c3ccccc32)c1	408861827	DNPVHGOMANUSIP-VZAUYYLXSA-N	549.096	5.263	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1	408879668	DMDZCEVGLCQZKH-GIJQJNRQSA-N	603.800	6.295	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	408886987	NLHVXOKRCGGHHE-RQZCQDPDSA-N	550.667	7.842	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(I)cc1	408891987	WUTJQBUNHMBXSM-FOWTUZBSSA-N	609.239	5.367	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OCc1ccc(F)cc1	408921292	AGPRCVWNNAJDAW-RQZCQDPDSA-N	654.217	6.168	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2C#N)c(I)c1	408945866	LSXTXFZBSMBEBT-NDEPHWFRSA-N	788.462	5.389	50	40	KKGB	
COc1ccc(OC)c(COc2ccc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)cc2)c1	408979737	OHDBGGBLIMOXDL-LMLUNKDASA-N	537.616	5.294	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)c1ccccc1	408981961	WTQRQHKLODTMPG-KIZAIXKYSA-N	544.435	5.909	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C	408982131	GDJYFIKHWSXLEA-JLPGSUDCSA-N	574.906	7.943	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccccc1	409006096	LWLAXSWNWOHETC-SYIQSAOISA-N	516.553	5.688	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1cc2cc(Br)cc(I)c2o1	409011002	FFGCQBQWMFJSID-IPBVOBEMSA-N	735.541	7.401	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cc2cc(Cl)ccc2o1	409018353	UPPAKRWTXQNGSL-PPDIBHTLSA-N	609.645	6.796	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409076235	ABOAUGVYNGNPJK-VCHYOVAHSA-N	567.352	5.680	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(Br)c4)c3C)cc2)cc1	409120723	SERUQUYJXPTZON-UXHLAJHPSA-N	579.520	5.754	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc4ccccc34)c(Br)c2)C2=C1CCCC2=O	409130086	VXJRIKSKWWJRLM-SANMLTNESA-N	514.423	5.911	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1cccc2ccccc12	409130406	HSCFEBCGKQWTSK-AREMUKBSSA-N	529.390	6.114	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1	409137408	XCFPPACDINZTGS-NDZAJKAJSA-N	534.037	5.474	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)Nc1ccccc1	409187238	NVNFFKFXVKZSHN-PDGQHHTCSA-N	512.201	6.336	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	409221801	BBWVWMZYCBSMJO-JIBVGFDLSA-N	686.937	5.710	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	409230405	DCHZPGWNLIJOQI-WQRHYEAKSA-N	528.361	7.869	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1I	409238478	DNHXBBQPJUUZLJ-QPEQYQDCSA-N	622.122	5.472	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)cc1Cl	409254431	DGSCQALYGABXGW-LZYBPNLTSA-N	619.697	6.442	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409258427	UBTDPAFJLFWUOA-VXLYETTFSA-N	602.407	6.657	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409266720	RALHNCPVJNXGTR-WKIKZPBSSA-N	530.806	5.201	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccccc3)cc2Br)cc1C	409266939	SKFXWSVKNVEMLR-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409268531	VEONIQOCFQIEEK-CIAFOILYSA-N	548.437	5.946	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccccc1	409302386	IMOYNXCZJASGJP-YKQZZPSBSA-N	556.531	6.037	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC)ccc1OCc1ccccc1	409304078	PSDPACIFDQIJOH-MBTHVWNTSA-N	576.285	6.352	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OCC	409318640	ZDKBYAIYKWZXQW-UHBFCERESA-N	575.887	6.642	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(I)cc1	409368454	WPTOKOWYQYRLPT-WQRHYEAKSA-N	506.170	7.241	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(I)cc1	409370976	BBEVUNJEKGKUMF-ZMFRSBBQSA-N	579.778	5.133	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccccc5F)c(Br)c4)cc3)cs2)cc1	409383580	XFKMYBCIZUSKBD-QMRORBIVSA-N	658.553	7.545	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409384369	BRRQMWOYBQMZFR-IPPBACCNSA-N	611.474	6.061	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409386394	LDLHZMPKPKPWEA-LDADJPATSA-N	523.948	5.450	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409387861	SKPFCHBUARNTKZ-CCVNUDIWSA-N	561.274	5.752	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)cc1OCC	409394479	AXFSTQHODUMNCT-UHFFFAOYSA-N	752.403	7.983	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409395462	NWWDDTZYMRNNSF-UHFFFAOYSA-N	597.425	6.797	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccccc1	409395922	UAOYTWHKHGHHJY-UHFFFAOYSA-N	667.357	8.496	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(C)=O	409396087	WFSVAMLOWJNWRJ-UHFFFAOYSA-N	723.349	7.416	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409396540	YXUOPKWWLHKYEC-UHFFFAOYSA-N	676.181	9.194	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(N(C)C)cc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396635	ZXILBDSYCWJFQK-UHFFFAOYSA-N	669.178	7.734	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397512	KQHBKMNOPJYNDB-UHFFFAOYSA-N	551.530	5.694	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409398161	RHFOKFPRMYMGIQ-UHFFFAOYSA-N	622.892	7.795	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409398996	XGXFCOFEPAHXNZ-UHFFFAOYSA-N	548.986	6.352	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409399311	ZITSTJQNDPLZPX-UHFFFAOYSA-N	517.585	6.443	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(N)=O	409404630	QMCZVLDPCFZYFA-CNCDYAKUSA-N	609.477	5.055	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1P(c1ccccc1)c1ccccc1	1857795126	NTSLMRQKMJNSQM-GIEABIOQSA-N	607.600	7.624	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)OCO3	664337	BFEJBPUYVWOQNT-QHCPKHFHSA-N	581.220	5.609	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21	1882705	FHWHHSIDVBSCSN-GXVXDJONSA-N	561.667	5.447	50	40	KKGB	
Cc1ccc2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n13)C(=O)N2	2195658	GLPIOVIBKYAHAH-UHFFFAOYSA-N	524.584	5.399	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(Br)cc1	2675449	QSOAOTJGIINFAJ-KKMKTNMSSA-N	552.208	5.513	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OC(=O)c1ccc(F)cc1	16688802	PHDOHCMXAGQJJU-ZHZULCJRSA-N	514.538	5.612	50	40	KKGB	
O=C(c1coc2ccccc12)[C@@H](/N=N/c1ccc([N+](=O)[O-])cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	96022146	PHIWJQOQUDDZBS-DEMAKEHPSA-N	570.565	7.628	50	40	KKGB	
C/C(=N\NC(=O)c1cccc(Cl)c1Cl)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965771	IOWMQSNMXBHPNA-OOEWDAAOSA-N	518.216	5.919	50	40	KKGB	
CCN(CC)S(=O)(=O)c1cc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1C	97980127	VRHLXIFTMOYJJK-PXLXIMEGSA-N	569.525	5.741	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1	100036399	UWSKIYRGQVJROG-VKIUUVDWSA-N	560.566	5.291	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccc(Br)cc1	100063662	KURKEYQGWBIGFN-JFLMPSFJSA-N	569.308	5.876	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	100127468	UGEYFBFLIGAYIB-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3C)o2)S(=O)(=O)c2ccc(C)cc2)cc1	100141532	HDFNFIPALHAYKR-KYHGBAKBSA-N	593.105	5.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OCc1ccc(F)cc1	100228165	APUJWFGCJBGTOF-WOJGMQOQSA-N	540.345	6.020	50	40	KKGB	
CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccccc3Br)c3cc(Br)ccc32)C1	101090476	SROFVMPTASLMKF-BXIHNIFSSA-N	588.344	5.550	50	40	KKGB	
O=C(Nc1ccc(Cl)cc1)/C(NC(=O)c1ccccc1)=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1	102947467	LYMBZXUQALJYSQ-MVJHLKBCSA-N	577.020	7.091	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C\c3c4ccccc4cc4ccccc34)c2=O)=C(C#N)[C@@H]1c1c2ccccc2cc2ccccc12	103757668	FFYULGJOUHATEZ-MXJIGVOESA-N	582.688	6.474	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c(C(=O)OCC)c1C	106534624	FQMJHFXQGDBDAK-PXLXIMEGSA-N	589.113	7.094	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	107533043	LWPOUXMFWLUFSS-HQDYHJHZSA-N	612.111	6.997	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12	150420264	XTPBNHBSTVYWLF-PQRRUPBVSA-N	625.468	5.797	50	40	KKGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	150437346	VLTADIJPPOVFRW-BJUCDSOZSA-N	663.967	6.118	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	150464214	GHAHNWBMWHYQAG-XAZZYMPDSA-N	651.912	6.478	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(I)cc1	164741318	DXQWVSASKFKTHC-SXGWCWSVSA-N	658.117	7.494	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c(C#N)c1C	408545984	BGRWTJKORQZBOK-BUVRLJJBSA-N	543.648	6.980	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551651	DYYUMVXWSFQYCH-VXLYETTFSA-N	517.994	5.975	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408553796	POXGAEKOLHYGML-PPDIBHTLSA-N	535.225	5.846	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc3ccccc23)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554068	YTYSFANELQDPCY-AQLQTECXSA-N	648.284	6.541	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408598638	GUOYFDVDNBCKDX-UUYOSTAYSA-N	504.811	7.907	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(Br)cc1	408599231	QIUKVJJLDZZYOK-VCHYOVAHSA-N	618.294	7.174	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Br)c3)CC2=O)cc1	408603887	HIRGTVOMFIUEBW-KRWDZBQOSA-N	544.833	5.186	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408638376	CIYKQHZRMDRGMQ-FZDBZEDMSA-N	647.147	5.164	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408639561	FYJVLEJSESFHBC-MHORFTMASA-N	662.118	5.064	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408667631	BTLABFJEPATAGY-WOZUAGRISA-N	562.302	5.490	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	408723389	UVFGYXAMBAPUFA-SMUUJSCJSA-N	562.025	5.315	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(I)c2)cc1	408743155	DYRVRTASNYGJHV-UYRXBGFRSA-N	558.803	6.468	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(I)cc1	408746155	BUVBGRISVMCHOF-JAIQZWGSSA-N	558.803	5.756	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(Br)c1OCc1ccccc1	408752741	JUMQYPGXXDTEOG-UDWIEESQSA-N	507.384	5.981	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1	408754587	NYCQIFKRGGGDFY-LGJNPRDNSA-N	602.479	5.161	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408755859	PRNGWNVTAIFBRY-GRSHGNNSSA-N	621.156	8.372	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccccc1	408776828	RBXDHMGFLQEQGM-MTJSOVHGSA-N	538.385	6.041	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N	408782668	IJRHLCZGNCUXPD-JBGKAFKHSA-N	552.900	6.267	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408790582	QFOBHZIXFLYNKL-VCHYOVAHSA-N	563.222	7.031	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408791773	CFOCVOBTNWIOCZ-FRKPEAEDSA-N	669.188	6.068	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1C	408792690	BLMJHLXLHHKTLF-KEBDBYFISA-N	631.264	6.493	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccccc1C#N	408794956	KRCGXYJUECSYFQ-SSDVNMTOSA-N	516.395	6.071	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1cccc2ccccc12	408795718	VZHARXCSUAUEJA-MFKUBSTISA-N	511.021	7.633	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc2ccccc2c1	408796134	OEUZBVWJXPOTLH-ZVHZXABRSA-N	574.418	6.886	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc(I)c1OCc1ccc(Br)cc1	408806048	AIXHEZRMPDTOEE-BFERYNQYSA-N	583.264	5.853	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC	408818138	XZVQCGFOTJDTJA-DXJNIWACSA-N	593.465	6.619	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)c2C)c1	408839519	AFDHOXHYFLHTEV-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408847893	WOWRNFJGGNQKTK-QGMBQPNBSA-N	537.668	8.451	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408856018	AIVUWAODAPDTFK-IPPBACCNSA-N	539.963	5.021	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	408867953	LSYNWQFDPKPSMB-XODNFHPESA-N	563.901	6.082	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1Cc1ccccc1Cl	408869495	SBMVXBHHUQALIS-CIAFOILYSA-N	523.858	7.255	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1Cc1ccccc1Cl	408872701	OKCMOWHJTIXHOA-RQZCQDPDSA-N	596.774	7.108	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccc(C)cc1	408879205	BFLPOUXZUPQAEB-FSJBWODESA-N	521.013	5.867	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408880449	JDTDBCGVBHMOKS-ZMGVVAQMSA-N	613.523	5.683	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1ccccc1	408881042	LKMLAWJIYLNIQF-RUMWWMSVSA-N	573.671	5.019	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccc(F)cc1	408884342	YOPYTBQNESMHKD-WOJGMQOQSA-N	574.244	6.792	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OC(=O)c1cccc2ccccc12	408887290	PHROADFXVFOYKE-XMHGGMMESA-N	517.368	6.920	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OS(=O)(=O)c1ccccc1	408889611	HSQHDGQMYJUYLX-SFQUDFHCSA-N	700.292	5.608	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1cc(C)cc(C)c1	408889653	IMWYLHNBHCRYMG-FSJBWODESA-N	566.439	6.658	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccccc1	408889665	IRWBBAMMWIFXEV-XDHOZWIPSA-N	556.254	6.653	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2I)cc1	408890589	WBQWKKDMXVGUNK-LPYMAVHISA-N	670.288	7.482	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OCc1ccccc1Cl	408892814	JSVMWRGURVYDKJ-VCHYOVAHSA-N	730.622	8.301	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccccc1Cl	408897754	SXYZTBIBMFNBGT-OKCVXOCRSA-N	537.841	6.997	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1F	408922846	GUVMVVCHMXWGEB-KVSWJAHQSA-N	540.216	6.637	50	40	KKGB	
O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1	408960831	OMQRMMJQWDNAAP-KKMKTNMSSA-N	619.209	5.841	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1F)c1cc2cc([N+](=O)[O-])ccc2o1	408962135	QFDWIBHZROMJGU-RPPGKUMJSA-N	512.291	5.586	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	408972212	NQVBJLFQCXTDEC-IIIJJGCOSA-N	648.587	6.925	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	408989815	JAFPUIQASIJNLK-QGOAFFKASA-N	638.086	7.355	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409006624	QFTWCWIBNZWFTJ-IPPBACCNSA-N	552.911	6.111	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)Cc2ccc(Br)cc2)cc1	409013635	NCQMJTCIBMDQKN-IPPBACCNSA-N	568.415	5.118	50	40	KKGB	
COc1cccc(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(OC)c2)c1	409014886	QDZYHOKVCOWEDJ-IDWIKUEFSA-N	581.713	5.882	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020429	PEFYFAIVJBVJEP-FZKWRIDDSA-N	553.659	5.650	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)cc1	409028061	JDJGZMUVSZTHSJ-FGBYCOAUSA-N	600.697	5.110	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OC(C)=O	409044777	PAWZBUVTEVPQFN-MUFRIFMGSA-N	532.394	5.752	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)c1ccccc1	409056906	NLIYASAKUNKUNU-CAOOACKPSA-N	538.066	8.162	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)OCO3	409088988	MMDNKQRSDUKVLA-HSZRJFAPSA-N	593.204	6.124	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(Cl)cc1	409131919	ZDJKDQYQASZRIC-AREMUKBSSA-N	614.968	6.463	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(F)cc1	409157280	PQAPPUARILXFPY-OCSSWDANSA-N	556.432	5.825	50	40	KKGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409186480	COJURTZSSFYSJY-ROTLSHHCSA-N	563.202	5.228	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc(Cl)cc1Cl	409188036	WMWQKUVAFQFOEJ-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1	409254405	XBUFVBICHFUJRG-WCEBZYJUSA-N	617.281	6.426	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409267523	NDSLQQDQZLZRDE-XJECJHNESA-N	691.007	7.760	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1C	409267956	XFELBMYICRIURC-UNOMPAQXSA-N	538.829	6.283	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1OC	409319141	ATNYGXIEUFMJMG-MUXKCCDJSA-N	621.282	6.260	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OC	409319735	LBRKGCBHTDSWLF-FDVSRXAVSA-N	606.844	5.870	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OCC	409321229	SCHCPKFYOJTXOP-MWLSYYOVSA-N	623.909	5.606	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCc1ccccc1F	409392050	NKZKUVJOYBSLDE-ZDLGFXPLSA-N	569.374	6.357	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(I)cc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396457	RQVIYLMQHIWKLX-UHFFFAOYSA-N	752.005	8.272	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409396691	AEEWYFDEFCKBJF-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409397209	HKVSKWNAJINPDH-UHFFFAOYSA-N	537.959	6.200	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397502	KNOWNAKRXNACSZ-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)c(OCC)c3)c(-c3ccccc3)c2c1	409397659	MKNDGYHLGNRJIO-UHFFFAOYSA-N	561.638	6.924	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)c1	409399206	YJKTZLGSNUHATA-UHFFFAOYSA-N	575.974	7.799	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccccc3)o2)cc1	409401129	GMYNBRIQZQNFAS-FZKWRIDDSA-N	607.623	5.956	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4cccc(F)c4)c3)o2)cc1	409405261	SLCZNCAOCBVEBG-FZKWRIDDSA-N	537.591	6.748	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccc(Cl)cc1	409410241	UFNIMPUDSSAOTL-QJOVZPHJSA-N	612.082	7.301	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(Br)cc1	1531386382	KBZUBHYBVCEPPE-XZYGTATASA-N	628.523	7.380	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1	1083027	XLDHYEDCNJMDME-UXHLAJHPSA-N	535.069	5.478	50	40	KKGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1	35213817	XWZSVIPGBVFDRZ-RGVLZGJSSA-N	508.861	6.398	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	59255541	DRFTZMRZAHHZOH-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccccc2Cl)cc1	59856467	VSBHNOMAQKFUFM-NDZAJKAJSA-N	534.037	5.508	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC1CCCCC1	97947191	UNUFJJZMVMFXFV-NCELDCMTSA-N	537.063	7.128	50	40	KKGB	
Cc1ccc(C)c(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)c1	97957945	TUGYCXXSURZNIF-NVJOKUIPSA-N	578.232	5.716	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1	97960894	LFWOHIUFUQPRIV-CCVNUDIWSA-N	538.307	5.582	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3I)c2C)ccc1I	97960983	BJPOSBWNWMLFKI-BRJLIKDPSA-N	613.237	5.141	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C\c1ccc(Cl)cc1	97966335	PGVLYGRPDOFXMP-OQVGDTCNSA-N	645.975	7.237	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(C)cc(C)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100141573	XVTZVXKTUWAQGL-KYHGBAKBSA-N	593.105	5.338	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/C=C\c1ccccc1[N+](=O)[O-]	100858722	RETVSABRJDLXRM-BDLNAQAPSA-N	563.437	5.513	50	40	KKGB	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	102459194	WEZPTBQVLURKIX-GAGBFILQSA-N	570.542	7.769	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1	103742067	IOYGNDVTHUKANL-GFPZRUSRSA-N	552.881	5.845	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)c(Br)c1O	103889226	WQQKIJOYNQZFBQ-UITAMQMPSA-N	520.992	5.778	50	40	KKGB	
O=C(CCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)N/N=C\c1ccc(OCc2ccccc2)cc1	104081294	ZNVNXWDBHROORP-ZPKHGHSISA-N	548.643	5.615	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	104699873	ACUGPKLWSRRAIM-WRWJNRLJSA-N	570.712	7.365	50	40	KKGB	
CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	150415263	VNGLZAQKXPQCPS-KKESWQSKSA-N	663.579	8.683	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCC[C@@H](I)CC(F)(F)F	169795378	WMSZRDCVZZZJBO-BETUJISGSA-N	572.153	8.009	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408544931	YTLHDDZOQHCHDJ-IDUWFGFVSA-N	576.230	6.587	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)c(C#N)c1C	408546645	LBHDEESUNGFYGE-KEBDBYFISA-N	593.455	5.863	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408568247	SENHQDPEAUZFMM-SXGWCWSVSA-N	527.191	6.870	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(I)cc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1	408569007	LXOOWLMCVMTOIO-AMVVHIIESA-N	741.414	6.354	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1	408606819	QLCXLHFRXFDZEJ-QHCPKHFHSA-N	537.428	6.339	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O	408640380	HULUYXGNBWKYHB-OAQYLSRUSA-N	515.780	5.527	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408643210	FURCKQJINPXRTK-XKHOSYEFSA-N	739.200	5.824	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408643984	GQRSPRHRDOTENF-LVCYWYKZSA-N	539.818	5.545	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408659517	VWPGKEGJLQMGKZ-YRFTUQBSSA-N	726.076	6.662	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccc(Cl)cc1	408719984	UPMCIGAOIIEHNQ-SEPVPZSASA-N	531.999	5.307	50	40	KKGB	
O=C(CSn1nnnc1-c1ccccc1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408732415	REFSRGDAAWOPNN-KKMKTNMSSA-N	592.306	5.635	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744655	GIOXXBFWPTYVLB-SXGWCWSVSA-N	658.636	6.813	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC)c(I)c2)c1	408744739	GZEKLGAKYPIGMQ-ZSOIEALJSA-N	541.183	5.397	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OCC	408754592	RJBSFBFFVYXSOB-RIYZIHGNSA-N	588.183	5.239	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccc(Br)cc1	408758024	FTFFVEVCJIYFJM-BKUYFWCQSA-N	582.292	7.073	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1	408761317	DOCGRCRVLLNAIG-YVLHZVERSA-N	591.097	7.099	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)[nH]c2cc1C	408781289	BXBTYTANBUCYNR-XYGWBWBKSA-N	551.488	7.993	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)cc1	408786141	FKOBQPPNYPXKMX-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1C#N	408788492	DJBJDCXBFPWEGZ-UFFVCSGVSA-N	550.840	6.806	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(Cl)cc1Cl	408789942	SUBJVQKJXJERER-RQZCQDPDSA-N	580.693	7.933	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408791401	XDJUQTQJVHPSNU-WOJGMQOQSA-N	601.251	6.643	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(C)cc1	408791800	CQMGQICJEGOQLN-SRZZPIQSSA-N	539.857	7.243	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(F)cc1	408792121	IEBSSXYCGJYWOF-RQZCQDPDSA-N	562.766	6.217	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1	408794038	HFSCWEHXOXAFCZ-FYJGNVAPSA-N	630.866	6.645	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408828852	MKOOUMAWDXBPBP-WCMJOSRZSA-N	570.498	6.358	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(I)cc1	408841001	FBAMYDTVEUTYHD-IIHBXENTSA-N	745.359	7.553	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(C)cc1	408845396	MRMHQTCOUNNFPQ-UHBFCERESA-N	533.422	6.584	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408846229	XYBXRGOEOBSMFV-WHQPAHRZSA-N	831.223	8.693	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1	408846324	IQUNXICKWKSLMU-ZXSNDDASSA-N	500.646	7.241	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1ccc2ccccc2c1	408846721	YTTVOIIWTVHHGJ-KVAAJVFYSA-N	560.601	7.331	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408847052	SISPDYZXDKUQNB-ODQASSKESA-N	696.454	9.283	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	408860604	ZVCBTJBHJIGPTA-IPPBACCNSA-N	584.909	5.541	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Br)c(Br)c1	408873168	NYVGZMMLOCSZIO-VXLYETTFSA-N	544.674	7.310	50	40	KKGB	
COc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1	408878650	AFSCDLFJUUEFAV-BXAFPDBCSA-N	606.476	5.424	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408879075	FEQYNWMXBWJIEP-RIYZIHGNSA-N	684.808	5.083	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1Cc1ccccc1F	408882572	RCYQUQVRWMFITH-WOJGMQOQSA-N	513.794	6.777	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)c(OC)c1	408883435	PRTJYSYFSBSCGD-RGVLZGJSSA-N	525.374	5.408	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3C#N)cc2)c(Br)c1	408886937	KGIAYEAQDHKHNG-LICLKQGHSA-N	582.208	6.638	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408890618	WOLMOLKKEPPXGU-LDADJPATSA-N	559.413	5.609	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408893045	DVVYFHZAEKDRHO-UDWIEESQSA-N	537.830	7.933	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cc(C)cc(C)c1	408893056	DXORHQZYWGRITF-FSJBWODESA-N	519.439	6.816	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922074	CZULRTLSEPIINS-CXUHLZMHSA-N	672.863	6.402	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C	408922195	DXSWKAONDVOJPZ-CIAFOILYSA-N	505.958	6.388	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2ccc(Br)cc2)c([N+](=O)[O-])c1	408924295	MPUQFLCZCPSHIB-LDADJPATSA-N	538.354	5.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c(OC)c1	408951273	IHQKKVZZPDZHIL-OLDUKCEXSA-N	762.985	5.261	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21	408970437	HTUJXMXALUVQDF-TZJKWYEESA-N	589.520	5.268	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC(C)C	408973106	YTMOUIMARGNPLO-RBVLXVNSSA-N	651.385	6.197	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1C#N	408973628	ZSDITUGITLTQOF-PNEXRJAKSA-N	635.559	5.667	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4ccccc4)cc3[N+](=O)[O-])sc2c1	408988744	FUIKWNDWVZRSEM-SFQUDFHCSA-N	502.577	6.300	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408997058	QJONOTICNJRFSD-ZMGVVAQMSA-N	732.312	6.369	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	408997148	LDQBHOXKLVKXJN-KBVAKVRCSA-N	532.383	6.229	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1	409026401	ODLWJTYNOGNQSI-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
N#Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409032494	JDNXHNBNKUDTTM-ALQBTCKLSA-N	561.439	6.879	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409034136	NHUJIGUQGYWNEQ-DLCNMLRHSA-N	605.319	8.314	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccccc1F	409039073	WEDPCFLXVCMFSS-DPNNOFEESA-N	552.631	7.044	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409045053	XXSFZGCEZHCMAV-LPYMAVHISA-N	548.437	5.397	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409045360	PJILZNLWHWKKOI-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OCc1ccccc1Cl	409052432	SHWVAQIVFSSZLI-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)Cc2c(F)cccc2Cl)cc1	409056008	FYJOCLVEBQTKKJ-KVSWJAHQSA-N	542.847	5.436	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409066812	BMMQGCQCJKFUNS-ZVHZXABRSA-N	521.444	6.923	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409070093	XLEBZBGBBWKDNE-HMMYKYKNSA-N	557.455	6.434	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409073245	GJYWGIQZSWMPRP-LFIBNONCSA-N	551.835	6.359	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c2cccc(Cl)c2)cc1	409121082	XVEBNFGLHRQKRO-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C2=C1CC(C)(C)CC2=O	409141788	KBUBCHXSBOTPRS-AREMUKBSSA-N	638.506	5.133	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1ccccc1	409221511	RHPBIGZIHOVCLD-QCYAWUEASA-N	501.413	7.510	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1	409222276	WMWCENVYUHQJNL-LBRHQESJSA-N	511.021	7.255	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409225253	KEJACHXQKLZZSX-CVHFWEDTSA-N	548.437	5.568	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409227688	ZTJBYUNXGKPLLY-UHFFFAOYSA-N	645.724	7.645	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)NCCCc1ccccc1	409248782	QMYRVFCNVBZJGN-BKUYFWCQSA-N	774.178	6.735	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1	409263338	KLRLBQSWODMIHB-WQRHYEAKSA-N	554.386	5.352	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1OCC	409321753	HHKGOHYTTNCNHU-ACXHZZMFSA-N	645.348	6.265	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC	409323699	PEVZPAOGTOUAHS-ZMFRSBBQSA-N	544.904	5.129	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1	409364203	NNFAMDMETUPWEU-CCVNUDIWSA-N	563.823	5.485	50	40	KKGB	
CC(C)(C)c1ccc(/C=N\NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409372587	MZRIHIASFQJIDM-MWLSYYOVSA-N	576.944	5.741	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	409382297	REEYYQXDNDVZJZ-ODLFYWEKSA-N	537.366	5.376	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)cc1OCC	409395525	ORLHYKWLPKRGOA-UHFFFAOYSA-N	786.848	8.636	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396243	HWMNCVUNAVREED-UHFFFAOYSA-N	563.610	6.234	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396397	PEOGJQHUJCHYKO-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409398688	VEUINSGQGYYKHB-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409401543	HMFAJJARLFQQEM-XVIDZLOXSA-N	653.486	6.031	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409404185	PDWZIPLRTMIVDY-FRKGHFGRSA-N	758.440	8.919	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)Nc1cccc(F)c1	409404541	QEJHOCWVMCQBBS-GZOMZLSJSA-N	703.565	7.348	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	1529547653	NNNSOGIYMRYJES-MKEMXLLOSA-N	889.348	6.122	50	40	KKGB	
Cc1ccc(-c2n[nH]c3c2[C@H](c2cc(Br)c(O)c(Br)c2)C(C#N)=C(N)O3)c(C)c1	985889	RZMPJPCNKYZYGC-MRXNPFEDSA-N	516.193	5.142	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccccc3Cl)cc2)sc2c1CC[C@@H](C)C2	1785254	GMCMWSCPIOHNMM-RZQDWPBMSA-N	568.095	5.873	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Br)nc3sc4c(c3c2=O)CCCC4)cc1	1880324	WMNBSZSJKIXDTN-CCVNUDIWSA-N	567.534	5.639	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1	1888966	RXIZPUGXHCUJJP-OGCOBRASSA-N	540.447	5.918	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccco1	2202403	GLVGUFIBPFWURL-XMMPIXPASA-N	534.037	6.010	50	40	KKGB	
CC[C@H](C)c1ccc(OCCn2cc(/C=N/NC(=O)CSc3nnc(C)s3)c3ccccc32)cc1	4082518	HJBYJERZLJQOFQ-FLOSOGMCSA-N	507.685	5.636	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N)cc(Br)c1OCc1cccc2ccccc12	6136352	SOYCVZLULAQBDA-WKULSOCRSA-N	504.384	5.536	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@@H](c1ccccc1F)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	8426420	XQHJBDJTSLYBOM-FCKNKLHLSA-N	593.507	8.657	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1cccs1	9046887	OYPXMEHLJRTLND-IWIPYMOSSA-N	512.458	5.391	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc4ccccc34)nc3ccccc3c2=O)cc1	9075841	UQZIGPUBVSONNL-ZCTHSVRISA-N	508.603	5.180	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccco1	9375129	XQBGIRHHHCSWLE-RUZDIDTESA-N	520.010	5.892	50	40	KKGB	
Cn1nc(C(F)(F)F)c2cc(C(=O)N/N=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)sc21	12955798	OQWQOMMTVKSXSQ-NSKAYECMSA-N	539.948	6.130	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	33647388	KBKORSWSMUTEDY-OPEKNORGSA-N	519.903	6.271	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccc(C)o1	98048695	HOSLHVFPKXBHFY-MHZLTWQESA-N	528.634	5.612	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)c(C)c1	100100144	IFWFULPIEYEFBN-KPGMTVGESA-N	580.979	8.183	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1	100117817	LQDUULYRCNIEDU-OCSSWDANSA-N	545.437	5.524	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100129592	UWSDCEJWZXSZMV-YKQZZPSBSA-N	535.069	5.089	50	40	KKGB	
CCCCCCCCCCOc1ccc(C(=O)NN(C)C(=O)c2ccc(OCCCCCCCCCC)cc2)cc1	100921650	NGHFPAYWUHMTRM-UHFFFAOYSA-N	566.827	9.143	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1cc2cc(Br)ccc2o1	101748932	XYUZVIDVKFJGEU-MNDYBZJGSA-N	578.260	7.454	50	40	KKGB	
C[Si](C)(O[Si](C)(C)c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1)c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1	253566219	IRHHZMMQLVGFMN-UHFFFAOYSA-N	595.627	6.973	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408541015	XGZHMWTZUCCNLQ-JVWAILMASA-N	627.535	7.869	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c(C#N)c1C	408547179	TXISQVBKRHIBIN-UBKPWBPPSA-N	791.232	7.919	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550026	ARQWFYKFUPOONA-NUJZUDFISA-N	534.827	5.756	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccccc1F	408570617	XDWICFZLDFJRSV-IPPBACCNSA-N	591.524	6.184	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408570641	XILYXWYFXTUMHS-UUASQNMZSA-N	502.760	7.314	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1c(C)cc(I)cc1C	408603684	GSNCKBOWCLHFRH-CIAFOILYSA-N	606.464	6.491	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O	408638025	BMTBAAGHEYMZFR-NRFANRHFSA-N	550.225	6.181	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408663311	YJCZULLNZDOHBI-GKHGQUPGSA-N	783.684	6.884	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(I)cc1	408712085	YUSWNIBESPKCMM-YPXUMCKCSA-N	682.965	7.466	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccccc1	408740404	BRHQAOONKSBSHN-JCMHNJIXSA-N	530.365	6.569	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408746283	RLKZPTAWMMFTRH-NVMNQCDNSA-N	527.205	6.752	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)sc(C)c1C	408753311	GGUQNAUWZCDBOO-ODLFYWEKSA-N	526.456	6.257	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)c1	408754409	QOLCUNUKGGSSCS-GZTJUZNOSA-N	602.419	5.078	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408759535	GQGBOJVQUYEDIA-LQKURTRISA-N	600.434	5.293	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1	408759736	KNIXLDFQTLZLPL-UYRXBGFRSA-N	511.397	5.379	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408781657	DXLZCMCZPCJOND-JLPGSUDCSA-N	562.305	8.262	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408782365	GHFYKGIQBJDEET-VFLNYLIXSA-N	588.833	5.775	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408789339	OXVAKLCOCWUTRA-LZYBPNLTSA-N	613.666	7.385	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I	408792059	HEDKNUYZGHXWTR-LZYBPNLTSA-N	630.220	5.000	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(F)cc1	408797881	UEAJGNLQGOEHOP-GIJQJNRQSA-N	529.793	6.683	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408819933	ZKBMQFLEZCIRKA-MTDXEUNCSA-N	633.542	8.623	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408825708	FFMVAYFMXCPOMK-KEIPNQJHSA-N	585.726	5.935	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1)Nc1ccccc1Cl	408834383	YPFJSTWDMIFURE-GUBAARJWSA-N	595.143	6.576	50	40	KKGB	
C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408835338	WOBSSFDRSSIVLR-XSFVSMFZSA-N	521.798	6.239	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	408838721	ZTJNOAAAQNGKOD-XBQJKBNESA-N	605.716	6.434	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1O	408845500	HJHCIENUGLIHDY-RHANQZHGSA-N	518.411	6.083	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)c1cc2ccccc2o1	408850377	MMGMSIOKENFSFD-PPDIBHTLSA-N	501.739	6.331	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408854710	AIWIRUYIAPYAAT-LRIZEKIPSA-N	618.575	8.595	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408854871	KHEDPEGPQSWMKA-AEVGBRMKSA-N	806.269	9.312	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1	408857389	USNZORMPRCENAY-ZXSNDDASSA-N	503.577	6.935	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2	408859811	ZUZWYJNQZUCAQP-WBIBEUCMSA-N	594.067	7.186	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1OC	408867702	LLWLVPZKTOEDJH-RPPGKUMJSA-N	539.441	5.385	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Br)C(=O)Nc1ccc(Cl)c(Cl)c1	408869024	OVUHBFCMFWLCMG-LICLKQGHSA-N	565.092	7.655	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408871401	YRWXDEQFMZYBOI-JBCPZZPVSA-N	568.320	6.974	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1cc(C)cc(C)c1	408879436	DKXYMORKSAZZCV-FSJBWODESA-N	566.439	6.658	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1Cc1ccccc1Br	408884647	URXVWVTZMMRAIJ-UDWIEESQSA-N	554.282	7.055	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccccc1F	408884903	VYZJJFJZORCFBX-SRZZPIQSSA-N	524.976	5.697	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	408888487	VYCCYKIJVDWIAS-WOJGMQOQSA-N	506.312	5.431	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)c(Br)c1	408898957	YPPIVLORTPJGRX-OQLLNIDSSA-N	734.058	7.358	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2I)c1	408904783	ONQOCCJHDVYFKO-PPDIBHTLSA-N	634.224	6.359	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1cccc(C)c1	408914918	ZSUWHGZVFVAPDV-FMFFXOCNSA-N	529.036	6.012	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(I)c1OCc1ccc(Cl)cc1Cl	408926676	ZCHBVZIBIZWPMZ-CLAOXVRQSA-N	797.430	5.914	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OCc1ccccc1C	408926781	YLGOTUFDOZTTSA-ZSNJKBEMSA-N	670.632	7.961	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)c(OC)c1	408957375	UGBHUBCLUQABJX-CJPARAFHSA-N	713.557	5.295	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4cccc5ccccc45)C(=O)[C@H]23)cc1	408958424	YTEIRFIKOZQQGP-HMSXVXBKSA-N	561.641	6.115	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408968400	WHMVJSQHLLFMLU-VVEOGCPPSA-N	564.358	5.566	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2F)s1	408972763	WRJQJPGIFUQYFC-IPPBACCNSA-N	538.004	5.163	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408977017	CBXWPSIRAAVICZ-VIVICKJKSA-N	640.589	6.840	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1	408980654	RYEWPQBBZRSWPD-OIDVGNHBSA-N	552.587	5.194	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)c2C)sc2c1CCCC2	408981597	VXWDVNXIOCDLKU-UKKBHZCMSA-N	622.788	5.771	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1C	409001826	WVLLQILFSVYWAM-JMIUGGIZSA-N	678.264	6.336	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1	409005724	KHBPXQUXMCHTEC-ZVRULSTGSA-N	573.432	6.904	50	40	KKGB	
N#CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409038504	VSXFWJGJWQAERQ-WKULSOCRSA-N	564.237	6.093	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409041261	UIZJJLRNQLSWHK-QMRORBIVSA-N	635.345	8.323	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409043351	QDOINGUDJFAQJK-GIDUJCDVSA-N	649.088	8.662	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1	409054899	HDGLXCJYTBFNFP-FYJGNVAPSA-N	503.986	5.919	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1	409110904	ZLQXDDJVSIDBSX-OGLMXYFKSA-N	514.047	5.208	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(F)c1	409114914	DVUCJRCNBGMMQB-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)Cc2cccc(Cl)c2)cc1	409115554	JMIGXGQKVINOKM-ZCTHSVRISA-N	548.064	5.782	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	409145083	MGDYWWNQJXDSCC-BRJLIKDPSA-N	563.202	5.471	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409146491	UKLQCURECAMIJL-FQEVSTJZSA-N	597.240	5.825	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O	409148000	XPOGIWDPAMBEAN-RUZDIDTESA-N	581.467	5.319	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)c2C)c1	409148492	QAIGUUWNVWHRRK-FDAWAROLSA-N	640.547	5.661	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1F)Nc1cc(Cl)cc(Cl)c1	409162056	CHVXOFOZEWBVAV-IPBVOBEMSA-N	582.213	5.001	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2Cl)cc1	409174785	OVRIXFLPOZGXIG-OKCVXOCRSA-N	557.434	5.279	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	409221677	ACEVBMAMNZAHQF-UHFFFAOYSA-N	601.413	5.901	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	409222783	CUKKHEPBHIMGKH-UHFFFAOYSA-N	590.861	6.646	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c2)cc1OCC	409227447	YOHFBVREKZXVSD-UHFFFAOYSA-N	630.495	6.482	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)C(=O)NCCCc1ccccc1	409234740	XXFGEJVQSWXPKO-JCMHNJIXSA-N	540.376	5.665	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409247920	DYNVGJZXQSBDNZ-YDZHTSKRSA-N	532.040	6.536	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)NC(=O)C[C@H]1c1ccc(Cl)cc1	409314580	LKPXGJHUGXDJSD-AWEZNQCLSA-N	544.780	5.832	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409316738	MDQJFIIDPOXUAL-VHFSBPNMSA-N	727.983	7.021	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)ccc1OCc1ccccc1	409326472	KMXMIZHEFKTSDP-HQDYHJHZSA-N	715.382	7.383	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(F)cc5)cc4)cc3)cs2)cc1	409366069	XVBRLKRSQVFECO-HQDYHJHZSA-N	579.657	6.783	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409366176	YPAGGDKYNXNLOY-RODHXAHZSA-N	688.579	7.554	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCc1ccc(Br)cc1	409366724	XTCGAOKLJRSKNI-FDVSRXAVSA-N	621.313	6.341	50	40	KKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)ccc1Cl	409383958	REQPRRAKOGUBMO-UXHLAJHPSA-N	502.954	5.163	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409385604	LXPNGYOLEDYBKK-LUOAPIJWSA-N	579.259	7.222	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(c1ccccc1)c1ccccc1	409392469	PPIGUCJFVCJYNR-MNBJERMJSA-N	578.304	7.073	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4Cl)c(I)c3)[nH]c2c1	409393559	YMRQOYGMFBRMRB-YVLHZVERSA-N	541.776	6.473	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1OCC	409395587	PLLWLOFRLRQIAQ-UHFFFAOYSA-N	773.400	9.159	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409396165	WUVWPISHSRYUCM-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398155	RGGVWRMLDMBIKN-UHFFFAOYSA-N	641.338	8.830	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3Oc3ccc([N+](=O)[O-])cn3)o2)cc1	409400009	AWEUIYHNSCXZKR-BJUCDSOZSA-N	586.004	6.779	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccccc1	409401481	HEKFMPXLZFUOAU-IDWIKUEFSA-N	606.679	6.446	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccccc4F)c3C)o2)cc1	409409416	OTRXSMZVAZDUAL-OHUYPAJKSA-N	524.596	6.577	50	40	KKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)c1	409410317	VEIUZRNFMZPJAF-FZKWRIDDSA-N	564.642	6.224	50	40	KKGB	
C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	604941284	UHCDRCBBCZLXBO-NNKYVXSDSA-N	641.186	12.671	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(I)c1	1529547731	OOQYENNVHJBPQH-DMFIQNIRSA-N	777.479	5.826	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1	1529549438	YZMBFJOXUJVBGN-JYALLGCPSA-N	655.546	5.052	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)nnc2-c2cccnc2)cc1	2710187	IIKNMBJDEOZHIC-BIZUNTBRSA-N	550.644	5.763	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	8812696	ULIGZLAXWJFVBU-OKCVXOCRSA-N	512.407	6.378	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1)c1nc2ccccc2[nH]1	9187320	SLNJANPDVIELKC-LFIBNONCSA-N	507.775	6.060	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1)c1cccc(Cl)c1Cl	19926534	XVSGKXZZUUIIGW-LGJNPRDNSA-N	510.830	5.377	50	40	KKGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1	28632454	AMPJRDZJNIVXOZ-DLPRSZHDSA-N	505.456	6.579	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(F)cc1	59333029	VKKUJHADYJSGJQ-JCMHNJIXSA-N	505.977	5.322	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CC(C)(C)C3)cc1	98006067	SKOKEWPMVFNRBR-XMMPIXPASA-N	611.715	7.189	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)c(C)c1	100097900	ZYFRSZLAGFFNDW-DPZBCOQUSA-N	606.091	6.562	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)C(O)(c4ccccc4)c4ccccc4)c3C)sc3c2CCCC3)cc1	100221935	HDCJCYDKJNMPJR-FNTLCPBMSA-N	616.787	6.981	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	100232866	PFRQHWBITTWOGU-NDENLUEZSA-N	525.830	6.934	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1	100989477	KZLFMZZYLMZXGN-CKVBZJJFSA-N	573.299	6.821	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl	101304915	QYIHSUXTNXOXHJ-RUZDIDTESA-N	564.494	6.762	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	102807342	ONDMXXKHSVJCHW-XMMPIXPASA-N	602.432	7.012	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1cc2ccccc2o1	102978960	WFGRXUIDWKITOE-LQKURTRISA-N	556.254	6.999	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)cc1	103789647	RBBGXOFMXFMPEG-PXLXIMEGSA-N	613.883	5.788	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	103846485	MAVVGGOZHAKYRF-JMIUGGIZSA-N	597.282	6.677	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1Cl	103891077	HFYGLTXMQDYZPC-YVLHZVERSA-N	546.204	6.579	50	40	KKGB	
C[C@]12C=CC(=O)NC[C@@H]1CC[C@@H]1[C@@H]3CC[C@H](OC(=O)COc4ccc(N(CCCl)CCCl)cc4)[C@]3(C)CC[C@H]12	104118622	XACVDPCGRAMKST-BAYHOZFJSA-N	577.593	5.806	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](C)Sc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699487	IBTKBOPDEZFUMB-FKAMJAOUSA-N	560.119	6.974	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc(Br)ccc2OC(C)C)c(C(=O)OCC)c1C	109355477	AEPBMGLBWIYZTD-YVLHZVERSA-N	548.455	5.678	50	40	KKGB	
CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341247	YCZIXOOWKGBFRK-ZCFIWIBFSA-N	680.127	9.015	50	40	KKGB	
FC(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341987	WBZQMMVJNIXNEJ-REOHCLBHSA-N	742.023	9.022	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	150364244	IXKVOFUFAXLHQU-LGUSAWBASA-N	624.089	7.256	50	40	KKGB	
Cc1cc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N\c4ccc(S(=O)(=O)Nc5cc(C)nc(C)n5)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3OC(=O)C(Cl)Cl)cc2)nc(C)n1	150396479	XUALNUBWOUYEJQ-KUYREWKISA-N	959.682	9.537	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	150422639	KGCXQMWKEQEZAO-JEPNHJGPSA-N	652.169	5.989	50	40	KKGB	
CC(=O)[C@@H]1[C@H](SS[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2C(C)=O)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	254645415	NHJXCPWVTGRSKZ-CWISNACASA-N	695.088	9.383	50	40	KKGB	
CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	301054973	RJCWBNBKOKFWNY-JYRHJXETSA-N	554.722	6.730	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1Br	408538403	MIHCGXZXELBJGI-HMMYKYKNSA-N	578.345	7.895	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408539319	VJZUQIHZMFHJNR-IPHFVPNQSA-N	649.655	9.136	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c(C#N)c1C	408547604	ZZLFQSGHCJBSTE-QGMBQPNBSA-N	756.787	7.265	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550080	DKKFLBKKYWKQDW-RQZCQDPDSA-N	587.326	7.693	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408570249	TUWJXAPASSJFDP-PNQUVVCRSA-N	691.294	8.105	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)[C@@H](Br)c3cccc([N+](=O)[O-])c3)cc2)cc1	408674218	YHZSHHHUQGEBQI-XCZPVHLTSA-N	587.426	6.700	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(N2CCCC2)cc1	408678368	XQMBPDKANBMFKN-AMVVHIIESA-N	720.176	7.146	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408724439	ABVGNESUJNMGDS-NVMNQCDNSA-N	593.248	7.040	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408726079	OURJCJADNDTIHB-GRSHGNNSSA-N	560.275	7.588	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12	408734264	VWRWDEKIARUKEO-OKCVXOCRSA-N	514.990	6.700	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)c1	408746678	VJMJYZNGBCICPV-JAIQZWGSSA-N	570.281	7.043	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)ccc1I	408747956	WCXIYNHITLGWEK-LUOAPIJWSA-N	617.640	6.198	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	408787634	CYFSSUGMEDEYFQ-WOJGMQOQSA-N	511.759	5.925	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408790986	ZWHAIEYUIPCUGP-OGLMXYFKSA-N	668.385	9.068	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408791556	YQOUJZHZUIZBMR-YDZHTSKRSA-N	517.412	7.670	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408791785	CKFUZIKWCYVGQT-CXUHLZMHSA-N	562.645	6.695	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408793156	NPCSLXXJANFYCH-SRZZPIQSSA-N	505.958	6.388	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccc2ccccc2c1	408793564	PLYFCBMWXIGEOJ-WGOQTCKBSA-N	506.558	6.150	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(F)cc1	408793745	GDGMAQNDYHCQKT-LICLKQGHSA-N	515.766	6.375	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408794845	JIMDIBOJQLOKEN-FRKPEAEDSA-N	502.741	6.680	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408797526	SIZSTTVZFKKMNZ-VCHYOVAHSA-N	556.800	6.534	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1c(C)ccc2ccccc12	408797669	CNJAWOWILNEBCE-ZTKZIYFRSA-N	554.646	7.861	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408798671	WLXDVTMFXWXSCQ-DEDYPNTBSA-N	597.365	5.501	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc2ccccc2c1	408819725	SPXBTNJCMQJZPR-FZSDHLTPSA-N	705.596	8.952	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1	408825795	AFZVWSBMCWXAMR-XHLNEMQHSA-N	512.075	5.704	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc2)cc1	408827409	HCNXPLATQILXIU-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)cc1	408831808	WUIWLOZDEAODLQ-MUFRIFMGSA-N	542.444	5.907	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2	408855026	BVLINNVUDJEDOP-WBIBEUCMSA-N	638.518	7.295	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(C)cc1	408870424	VTUNBUUFORXQTM-RDRPBHBLSA-N	546.605	5.071	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1Cc1cccc(F)c1	408877670	XOZFVSXFWSRYPG-MFKUBSTISA-N	632.473	7.544	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1ccc(C)cc1	408879267	CONKUOQHXUQUEW-OEAKJJBVSA-N	519.439	6.843	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408886122	IDWPDPDOKAOVGM-KPKJPENVSA-N	529.026	5.918	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccccc1Br	408886643	KYGLSDBFYCJWRK-FYJGNVAPSA-N	539.857	7.188	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccc(Cl)cc1	408890568	VUHHQIVDIVPYJM-ALQBTCKLSA-N	551.127	7.311	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OCc1ccccc1C	408922769	GZVVLIZGZVXANH-STBIYBPSSA-N	565.411	5.742	50	40	KKGB	
COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCc1ccccc1	408933988	CCPABFGBZIRDBR-VQNDASPWSA-N	515.613	6.804	50	40	KKGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	408942805	RPBIIAQSEJAPQX-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1	408950711	SHGZZTPTJBGRGV-MHZLTWQESA-N	706.446	6.220	50	40	KKGB	
COc1ccc(COc2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1	408964765	ZUCOYBUBCKJXSO-VJYDEHFQSA-N	586.516	6.030	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408969947	XNEQTWHQZQYDRZ-BSKOERCASA-N	738.293	8.287	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCCOc1cccc(OC)c1	408970980	BVYNAMYLFYQRAV-MOSHPQCFSA-N	539.382	6.287	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12	408971264	IABSHLATCFRWRO-IJBWTBNXSA-N	544.479	5.994	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12	408974131	XMYHLEKSCAXACW-FFWKWCQCSA-N	524.665	5.366	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1	408977319	VIZZOUYCSONBIY-GUBAARJWSA-N	574.080	7.454	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408994193	HCFXGDMWVDQCGA-BOPFTXTBSA-N	549.195	6.723	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cc2cc(Br)cc(I)c2o1	409016820	VXIQIRUWJQMSQD-WBIBEUCMSA-N	765.243	9.451	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1ccc(Cl)cc1Cl	409029448	AYVXXWYPLDQEOX-UGOYGOHDSA-N	611.441	5.868	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1cccc2ccccc12	409037535	SRTWLHVTOJWZQP-DBSPGSINSA-N	616.515	8.169	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)c(C)c1	409072695	KMRHOVKBZRCQBK-WOJGMQOQSA-N	590.293	6.142	50	40	KKGB	
Cc1ccc(COc2c(Br)cc([C@H]3C(C#N)=C(N)Oc4cc5c(cc43)OCO5)cc2Br)cc1	409094409	CZRYQMJZJWXEEL-HSZRJFAPSA-N	570.237	6.046	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O	409123266	BJIIVHVLECEBCV-RUZDIDTESA-N	605.360	6.718	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1Cl	409126730	BINIBGUATSLPJJ-QFIPXVFZSA-N	528.834	5.420	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(OCc2ccccc2Cl)c1	409153539	LQFIMWVLIVNGOZ-WKULSOCRSA-N	518.828	6.485	50	40	KKGB	
CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC(=O)CCCOc3ccc(Cl)cc3Cl)o2)c1	409156869	HDVMMZAUVFTSSY-IBBHUPRXSA-N	560.434	5.244	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)n1	409236353	FHWLJBISXMWMSD-OXUBWTJQSA-N	727.193	6.431	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(F)cc1	409243513	RUZVHZBBBJPFBE-HAHDFKILSA-N	584.429	6.064	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409248958	GDZNLGBRMMBNFN-UUYOSTAYSA-N	562.464	6.255	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1	409265909	WUKBOVTXHXCIQT-FABQOPTDSA-N	596.112	7.297	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409266022	JDPJNCXTYJOEAE-JAIQZWGSSA-N	582.882	6.681	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1OC	409313752	DCGYWQZKHIBXMX-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)ccc1OCc1ccccc1	409333933	KLUOMKGFXXDXMR-OHUYPAJKSA-N	593.905	7.423	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc(Br)c1OCc1ccccc1Cl	409336782	VVQYGNJDSZSNGH-GESPGMLMSA-N	560.861	5.349	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1	409343109	DKGKZRRLFZBKSB-UHFFFAOYSA-N	582.726	5.473	50	40	KKGB	
Cc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409367961	KDTNRKPTBKZGLJ-NUJZUDFISA-N	532.493	5.568	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409371732	LMVKBWRILPQDAG-LSCVHKIXSA-N	548.220	7.706	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	409375266	IAVHNIWMCYPTLN-LDADJPATSA-N	525.483	5.286	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	409391820	LPPHSJKLZYFKTH-APTWKGOFSA-N	533.455	7.253	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1	409394956	IAEMYWGYULSHLT-UHFFFAOYSA-N	699.758	8.144	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409395584	PKJBZNKWISWZLT-UHFFFAOYSA-N	777.638	8.601	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc4c(c3)OCO4)o2)cc1	409407258	DYLTVGQOSNJYHZ-FABQOPTDSA-N	577.593	5.978	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409407286	ZHAJWGQFVSIITA-MFNYRUALSA-N	529.593	5.360	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	1529548328	CRVLXHYSLXTDTJ-DBXYLJAYSA-N	797.499	6.461	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1C	1529548821	HGQYCCURQQCIQF-OPQHIAOESA-N	686.234	6.212	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C	1529548852	SKPSQDQABQOTJQ-FPXTWSFBSA-N	720.679	6.865	50	40	KKGB	
Cc1ccc(C(=O)NN(C(=O)Nc2ccccc2)c2nc(-c3ccc(Br)cc3)cs2)cc1	3768089	VONCXKOTUONHLM-UHFFFAOYSA-N	507.413	6.265	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)NC2CCCCC2)N1	12250877	OFXWAAUBCJKCAW-MHZLTWQESA-N	518.658	5.651	50	40	KKGB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)c(C)c1	16804881	QPSWQHDUJFVJRA-GFMRDNFCSA-N	520.633	6.971	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	59417171	NAWWYOJTSDUICS-QDTIIGTASA-N	507.852	6.222	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(CSc2ccccc2)cc1	59473671	DHYUIZXONYSWPO-QNKGDIEWSA-N	502.639	7.475	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	59856280	ZBPOXJCBIXCACP-BIZUNTBRSA-N	578.090	5.825	50	40	KKGB	
N#CCSc1nc(-c2ccccc2)nc(O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	96022913	IILROJRPGMCYEF-UHFFFAOYSA-O	504.575	5.084	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N\NC(=O)COc2cccc(Cl)c2)c1	98001554	DBSRGTMTELQFQH-PPDIBHTLSA-N	580.660	5.922	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(C)=O)=C(C)N2)sc2c1CCCC2	98048884	OMVUYXUQCHVOEN-XMMPIXPASA-N	570.136	6.114	50	40	KKGB	
CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)CCCCCCC/C=C/CCCCCCCC	100013088	OCNZHGHKKQOQCZ-XPWSMXQVSA-N	546.921	12.131	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	100061180	SKIFCKNLXRIAHA-DFKUXCBWSA-N	576.516	6.307	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c1	100125350	QHQVRVNXPXZCIQ-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	100198036	BYDPCTKNDPENMH-CCVNUDIWSA-N	545.349	5.236	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	102807703	CSVLFMCVOXRALQ-SSEXGKCCSA-N	546.652	6.712	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3cc(OC)c(OC)c(OC)c3)C3=C(CC(C)(C)CC3=O)N2)cc1	102808189	NRTAASULFWLHJG-AREMUKBSSA-N	548.661	5.402	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C3=C(O)CCCC3=N2)sc2c1CCCC2	102891043	RPSCLYLEFQIPLP-HSZRJFAPSA-N	551.690	6.346	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882953	AABBDCXYYCVDNV-STZFKDTASA-N	554.847	6.076	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(OCc2ccc(Br)cc2)cc1	105475547	MUQRHRUXBOXSAB-KBVAKVRCSA-N	549.852	7.024	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1ccc(Cl)cc1	105475600	CXZMKSRNDFIKQG-KBKYJPHKSA-N	568.649	5.922	50	40	KKGB	
CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341235	JPVCPJBKDZXGIT-RXMQYKEDSA-N	966.142	12.437	50	40	KKGB	
CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341304	LRIOCQWEYGLEFJ-SSDOTTSWSA-N	894.182	11.946	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	150628543	BJNNWJAGPSAFPZ-MSXFZWOLSA-N	627.176	5.147	50	40	KKGB	
O=S(=O)(c1ccc2ccccc2c1)c1nc(-c2ccccc2)[nH]c1SSc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccc2ccccc2c1	160548404	FYNNSAWKBWMRER-UHFFFAOYSA-N	730.918	9.238	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539760	YPXJCSYJAHUMSW-QQXSKIMKSA-N	599.083	7.460	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC	408540772	VTDHFFDGENKBIM-VYYCAZPPSA-N	501.343	6.200	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OCC)c2)c(C#N)c1C	408547042	QWHDMHMDQIRFKW-MFKUBSTISA-N	564.663	6.955	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccccc1C#N	408550116	DSHJMIHJWLHIES-WGARJPEWSA-N	509.403	7.516	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1Cl	408567493	FHEUIWSSUVAIPG-APSNUPSMSA-N	608.238	7.655	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408568268	ISLNRKPEBUJABH-WKULSOCRSA-N	632.558	6.343	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1	408568986	LSLOIESEAICCFX-VFLNYLIXSA-N	734.394	6.622	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408650247	LZVVTXUSGXRVRJ-FDDZBZQUSA-N	657.186	5.708	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1ccc(N2CCCC2)cc1	408676077	DRXUIMUHPFPJFJ-WKULSOCRSA-N	669.276	5.978	50	40	KKGB	
CC(C)C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	408718177	OHTQSKWJUPZKII-JFLMPSFJSA-N	508.372	5.027	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408744957	ITDBRPCVUYUCBU-BOPFTXTBSA-N	512.747	6.135	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccccc1I	408753507	JHMWXZDLEPACOO-GDNBJRDFSA-N	654.236	5.275	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	408757526	ZFGFHSSKHUETPZ-GZTJUZNOSA-N	572.393	5.069	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408757606	AVRVJCAIEDQVAL-DHRITJCHSA-N	627.267	5.050	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1)Nc1cc(Cl)ccc1Cl	408762067	CJTFYANGGGPMDO-RPPGKUMJSA-N	521.198	5.537	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1cccc(Br)c1	408766507	VAQHJMRHJJNCKA-PDGQHHTCSA-N	559.201	6.178	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)NC(C)C)c2-c2ccccc2)cc1	408778004	NYNNVESZACABNO-ZXVVBBHZSA-N	503.602	6.420	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)c2C)ccc1I	408778153	CAOTUAWMODFXKD-KIBLKLHPSA-N	631.106	6.002	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(I)cc1	408789381	PKYSBYOTGYVQRY-LICLKQGHSA-N	652.226	5.735	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC	408797798	TZNKCLNGCPRQNF-LZYBPNLTSA-N	521.795	5.297	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Br)o2)Cc2ccc(Cl)cc2Cl)cc1	408823526	DUPOPFVBJLFBII-CNCDYAKUSA-N	678.392	6.137	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408838616	YHMJLCQMRAPWDO-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCc1ccccc1	408851081	HLXJGHDGOMVQED-JCMHNJIXSA-N	614.938	6.854	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(Br)c2)cc1	408856275	JSAHPJWSTMUCFJ-MNDYBZJGSA-N	566.839	6.096	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)ccc1OCc1ccccc1	408862680	HKCQVLGDNFAYOH-FMFFXOCNSA-N	505.618	5.596	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408864104	SVQWYCXNARDUPR-LUOAPIJWSA-N	567.223	6.324	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)c1ccc(Cl)cc1Cl	408879442	DLQPBTDEENVKRF-OPEKNORGSA-N	607.107	6.050	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408887409	OAHRACHLMKFJHJ-LICLKQGHSA-N	546.646	6.990	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1	408889239	BRPPLGAXJYRXRQ-XSFVSMFZSA-N	525.424	5.633	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408943675	ULXSGLDXHVOAPA-BIZUNTBRSA-N	578.090	5.269	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Br)cc1	408949470	QZGDAXHUGPIGLE-WJOKGBTCSA-N	677.621	5.642	50	40	KKGB	
O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1	408960020	IBBNRQHCOAIVDK-SBWWSWLISA-N	591.667	7.852	50	40	KKGB	
O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408960135	CEYONRYTSNJGQG-SBWWSWLISA-N	607.714	6.389	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969430	NKKIAKLTKFNFCY-NXANOMBNSA-N	660.336	5.067	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	408971996	NFUXTZGSVPVNOP-UVLVBYFMSA-N	634.560	6.535	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1nn(-c2ccccc2)c(/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1C#N	408976249	QAJPMTZCUMFDRT-LTMWHAGOSA-N	927.289	11.767	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(F)cc1	408982917	ZSCDQLHLDIHMQM-OGJVGATRSA-N	589.689	5.672	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1ccc(Sc2ccccc2)o1	408995826	NQEGXZRLLKYDRS-ZRGSRPPYSA-N	561.255	6.033	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	408999960	UVLSVQYJDYKAEE-PBGWEGILSA-N	731.443	6.641	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1	409003572	SUQHRNMZHIPGLJ-SEOSEFJPSA-N	568.427	6.084	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C)cc1	409132001	OBRYEPNPRRXPKS-XMMPIXPASA-N	522.443	5.465	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c2ccccc2)cc1OC	409149020	VYSMVKDVGXMGOV-FABQOPTDSA-N	703.011	6.053	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4C#N)c(Br)c3)cc2c1	409188468	ZMAAZLFNNQKRHE-CPDSRJINSA-N	552.812	6.462	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)NC1CCCC1	409191793	NKWNXWAAEPNKQB-PXNMLYILSA-N	616.212	5.580	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(I)cc1	409215446	YWCWRKQFRIATGF-XODNFHPESA-N	659.771	6.927	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)c(C)c1	409218472	FJEDQSQNUSPQKG-XDHOZWIPSA-N	538.829	6.283	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409235927	QNVCPZVCQFSTGQ-HAHDFKILSA-N	645.335	6.687	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409251065	ZUCYNFHAJGIDBQ-QCYAWUEASA-N	521.444	7.094	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)c1C	409255585	HVRLSROGOUXILH-XDHOZWIPSA-N	520.383	5.335	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)cc1C	409257110	QMOVPBSQIKWSHJ-BKUYFWCQSA-N	514.538	5.174	50	40	KKGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)=C2C#N)cc1	409309941	OGMSPDOXBODSHE-OAHLLOKOSA-N	556.429	5.900	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1OC	409317566	VMEMBXFXEQVKGC-MWLSYYOVSA-N	552.425	5.112	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409366128	YEXZLKSKGYMTMP-GZTJUZNOSA-N	509.921	5.147	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c(C)c1	409368931	SSUQGEYWOKTIPM-MWLSYYOVSA-N	532.493	5.302	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409381808	JVXFMSCEWXGSLA-OKCVXOCRSA-N	518.411	5.752	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(Br)cc1	409384967	HNIXPKPLEFCKNO-XODNFHPESA-N	633.318	7.076	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3cc(Cl)ccc3OC)[nH]c12	409397039	FKZNFXHHKFKFEY-UHFFFAOYSA-N	586.475	7.696	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398640	UYINRNLWJRWJLW-UHFFFAOYSA-N	692.950	7.268	50	40	KKGB	
C#CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409400126	BNWWKUCAIDBXKY-IPHFVPNQSA-N	560.654	6.450	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc(F)c1	409401504	HHJAXURVLOZEFC-UHFFFAOYSA-N	567.617	6.757	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409406771	CNIOHUZLKRGAQH-KMUKQRDJSA-N	598.055	6.911	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccc(Cl)cc1	409406881	DNLOHJFQYCIILG-KMUKQRDJSA-N	598.055	6.911	50	40	KKGB	
O=C(OC(=O)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl	885164210	STQZVNNBVMTPTQ-KVFPUHGPSA-N	708.815	7.879	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)c1	2312416	SURMKUIHFHMFEH-PMERELPUSA-N	535.669	6.375	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	2670803	JELOHZPQWJSHPD-RIYZIHGNSA-N	549.266	8.153	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1	2672749	GFXPVGOKYMZPFW-KXKJEIKKSA-N	559.069	7.556	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc3sc4c(c3c2=O)CCCC4)cc1	2696342	UFPAIDVZWQFDDB-XODNFHPESA-N	568.080	5.438	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccc(Br)cc1	3116272	SJFWBHZUJIOYAD-UXHLAJHPSA-N	531.406	5.913	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cc1	3332555	LFANMOUCUOGINP-LTGZKZEYSA-N	513.550	6.407	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	14408761	BRYZOSIQNLGXGU-XODNFHPESA-N	507.801	5.936	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccccc4)c3C)sc3c2CCCC3)cc1	59301924	PMPWLCNDGZANAX-FDAWAROLSA-N	510.663	6.359	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2cccc(Br)c2)cc1	59856504	NKLSCLQXZQUAKW-NJZRLIGZSA-N	592.515	6.007	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1	59856526	ROHNNUIVTJLTDS-FDAWAROLSA-N	568.482	6.161	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccccc1Cl	97939503	VSQIYUUORCYLDJ-RWPZCVJISA-N	530.868	6.527	50	40	KKGB	
O=C(N/N=C/c1ccc(O[C@H](NC(=O)c2cccc3ccccc23)C(Cl)(Cl)Cl)cc1)c1ccncc1	97947055	UBXDGNWIRZTCDO-DTWZTBRYSA-N	541.822	5.504	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)c2C)cc1	100122777	DGHOUEUPRRGQCT-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	100227457	HEBKVLVCEKHMNX-CIAFOILYSA-N	617.281	6.255	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(C)cc1	100227541	SXVAFFUSKDPLQD-XKZIYDEJSA-N	552.412	6.431	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	100253781	NGJQKYRUIWDHAR-XODNFHPESA-N	541.333	5.110	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)c1	100371341	IRAYOGGEPYSFIB-ZCTHSVRISA-N	548.064	5.816	50	40	KKGB	
N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1nc2cc(Cl)ccc2o1	100929715	SYRVSQJNKZASTG-YPKPFQOOSA-N	529.803	6.021	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1OC	102666651	ORVDYRLORALHRF-ONDMRUQVSA-N	592.515	5.251	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	102808949	FNEOFMWQZNIRSV-HHHXNRCGSA-N	529.065	5.724	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103890793	OMCMFDKZSTXPIG-ZDLGFXPLSA-N	611.150	8.916	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl	103891033	SDCUICIJMGREIE-YBEGLDIGSA-N	536.640	7.534	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C(=O)O)c3)c(OC)c2)c(C(=O)OCC)c1C	105285441	NPOKCNXYXGHJJR-SRZZPIQSSA-N	626.083	6.068	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(OCC)c2)c(C(=O)OCC)c1C	110322155	PTHTUWDTSDPGSN-CXUHLZMHSA-N	564.454	5.299	50	40	KKGB	
CCOC(=O)[C@H](CC(C)C)NC(=O)c1cc(SC#N)c(C)c2c1Nc1c(c(C)c3oc(=O)c(C)nc3c1C(=O)N[C@@H](CC(C)C)C(=O)OCC)O2	150383046	XANXZFNCXKCALC-GOTSBHOMSA-N	721.833	5.951	50	40	KKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc21	208438439	WQBISWZYPKJNDE-BHGWPJFGSA-N	507.226	5.313	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408539726	YIKKIGROOMPNST-PKAZHMFMSA-N	593.636	7.096	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)c(C#N)c1C	408546972	PUEYXEONUWTJNC-RGVLZGJSSA-N	549.446	6.165	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408566499	AFRQFVSGEWCQTF-MTJSOVHGSA-N	531.418	8.060	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)c1ccc(Cl)cc1	408581203	UZPBMJVNPKHWDZ-RQZCQDPDSA-N	582.517	8.271	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408647846	VTVBJKPTJRRMMS-CDVCQTBKSA-N	661.174	5.553	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408663042	YCHXPHJCPHJKQY-GKHGQUPGSA-N	828.135	6.993	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408671409	KYEPZKRZKIWPGU-JVSBHGNQSA-N	562.302	5.490	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1	408718458	PHLSYJZAIFLWIW-ASNUIXDXSA-N	548.437	5.816	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408742096	PGHKXZSKJWCHLB-DZTJYMNTSA-N	547.658	8.154	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)c1	408742406	AGZYNJRAMYIFJS-ZDLGFXPLSA-N	563.222	7.031	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408744019	DFQRSSVGHIZJTK-KQWNVCNZSA-N	502.998	6.600	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408752829	COZINCXWIQGFMZ-APSNUPSMSA-N	658.117	7.494	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1Br	408753504	JGSQHHDWONWAMV-LFIBNONCSA-N	545.220	6.319	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1cccc(Cl)c1Cl	408755050	PNXXJLSMFJFDSF-DEDYPNTBSA-N	523.397	6.460	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408755437	NRHQPVCASSXLLX-PXNMLYILSA-N	581.091	7.643	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408778412	FSWWRPVRVUDAEI-JLPGSUDCSA-N	611.367	7.319	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)cc1	408790153	UJMAJZXIPSYVHU-CIAFOILYSA-N	567.411	6.288	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1cccc2ccccc12	408795311	KUNFBDQLOBBLOB-YDZHTSKRSA-N	575.890	8.088	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1c(C)ccc2ccccc12	408800561	PPQJJQKWIBTASZ-OEAKJJBVSA-N	588.445	7.195	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408812230	NZBPPVLBNFUXOZ-QNGOZBTKSA-N	589.548	8.139	50	40	KKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408822578	CHEUTFPORXIJBO-XSFVSMFZSA-N	523.814	6.792	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(C)c(C)c1	408828318	DMRTXFFZHDDZGY-WPWMEQJKSA-N	553.058	7.669	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC	408828512	MROAZPYRHWBCSM-UDWIEESQSA-N	647.296	7.133	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(C)(=O)=O	408832354	SUBJUCAKUIGMIL-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)c2C)c(C)c1	408832620	VEFACBMSEDCXAQ-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4ccccc4)cc3)cs2)cc1	408838895	JVAZBLIKQCDHCZ-BIZUNTBRSA-N	518.642	7.205	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408838956	KSJMGIGZUAIGHG-YSYOEVFLSA-N	680.997	8.804	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1ccc(OC)cc1	408839839	WSOLZELQSMGRBU-FMFFXOCNSA-N	551.599	5.638	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(Sc6ccc([N+](=O)[O-])cc6)cc5)c4C)cc3)cs2)cc1	408842774	KTUDGWXZWGLTDN-FDALDRLYSA-N	658.809	9.093	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408846994	SDUDHGZELNZMOH-WKULSOCRSA-N	543.992	7.139	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	408847533	SRYRMWVSUJDCLK-STBIYBPSSA-N	504.059	6.817	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408863156	PSZKZUNSHBRGKG-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408876402	OIQRGAZPOVOVGP-QXUDOOCXSA-N	638.142	5.681	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1Cc1cc(C)cc(C)c1	408881595	NQZACMGZJHIURN-CIAFOILYSA-N	505.412	6.307	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2OC)cc1	408887439	OLBJPONMUPXGQP-CXUHLZMHSA-N	623.230	6.380	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cc(C)cc(C)c1	408894483	IHRPWSBBTFJCHD-SRZZPIQSSA-N	573.409	7.608	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408911852	OQXATRXYCMFPEU-HNSNBQBZSA-N	602.485	5.170	50	40	KKGB	
O=C(N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cc2cc(Br)ccc2o1	408936055	FDVOFQCOMOUPPY-MNDYBZJGSA-N	533.809	7.345	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)c(OC)c1	408958241	XZGMFHAFXVCVOL-FWSRZAFXSA-N	740.564	5.064	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1cccc(C(F)(F)F)c1	408963333	NDYSEQICVZDVNP-IBBHUPRXSA-N	527.340	6.964	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1	408971323	FXYIGBHUMOUEJM-ZPKHEBNTSA-N	833.292	7.102	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	408974332	XYPQXDAWWVGXJD-HDYZGOJMSA-N	727.483	7.687	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc2c(c1)OCO2	408983572	MKPBNLOVEYCKKS-UWVJOHFNSA-N	525.388	6.554	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1	408991251	ZLNONLQDKBWYAQ-NDENLUEZSA-N	525.830	6.934	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccco2)cc1	409016878	UBNIPJVTEIZKDS-LFJQHFKPSA-N	668.489	7.441	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409040960	IUKYYOSGNHGNNJ-SAEPALGJSA-N	607.110	8.842	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)c1cc([N+](=O)[O-])ccc1O	409054858	GXIZMKXPSCZUFT-UJBVIYEYSA-N	627.440	5.574	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12	409062208	PUSKEGJLAUDKHZ-WKULSOCRSA-N	586.895	5.303	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)OCO3	409083499	BDEKMQIFPCLDOV-QHCPKHFHSA-N	501.753	6.173	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409083536	SSTJMBHRIPBXCT-LFIBNONCSA-N	508.874	5.893	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(Br)cc1	409151434	BISPASKEELOYQZ-VFLNYLIXSA-N	699.727	5.212	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1cccc(C(=O)O)c1	409190809	QXOWIPFRXUSICW-UVHMKAGCSA-N	578.790	5.384	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409218278	ZWKURNNBFAOESP-ORBVJSQLSA-N	637.608	7.993	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(C)=O	409225653	QPPNOXWUGIUXDM-UHFFFAOYSA-N	799.425	6.407	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(I)cc1)c1ccccc1	409228886	GQNKGXSAINLBGS-CEZZIEKDSA-N	508.359	5.655	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccccc1C#N	409236881	HRUMHNFOCXIQQV-MYYYXRDXSA-N	591.449	5.797	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)c(C)c1	409251525	QYGNDOLCQOPVLY-NVJOKUIPSA-N	593.703	6.263	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccccc1Cl	409252038	RKHNTUDTEGTVCU-QKEDOHSHSA-N	520.029	5.438	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	409260742	VQGBFFKNEZGIGD-LICLKQGHSA-N	603.698	6.737	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1	409266849	LKEFBXHUYVRFBI-IVMLMAQVSA-N	510.421	5.638	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OCC	409317918	SBZLVBXHRCAVPF-LJUMEUDFSA-N	545.463	6.923	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)ccc1OCc1ccccc1	409322766	KYAMEIUNCBHKAK-DLCNMLRHSA-N	656.346	7.671	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409361277	CAFFXTWCLZEHIG-QDTIIGTASA-N	593.247	5.531	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409364453	XIMOYFKQIBKHJD-VYYCAZPPSA-N	501.808	5.691	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1cccc2ccccc12	409368156	NPYQJEZJOLCTPB-OKCVXOCRSA-N	629.292	6.949	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	409372027	DODGBQRIBVAIIK-FJEPWZHXSA-N	509.389	6.507	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2I)cc1	409372494	YUHXEUAGRNHBEH-OCKHKDLRSA-N	622.200	6.756	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409384355	BNNOIKOCFFXTLP-XODNFHPESA-N	644.447	5.513	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386432	QASDSXHZTMFDTC-LUOAPIJWSA-N	518.353	6.598	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)[nH]c2c1	409389906	AXKNCLVEUOGYCQ-LSCVHKIXSA-N	564.237	6.611	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl	409394411	ACYSOOSUIIWXOO-UHFFFAOYSA-N	750.658	9.312	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)cc1OCC	409396057	VUZCHFKZBSPPET-UHFFFAOYSA-N	774.293	9.447	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)[nH]c12	409396159	WUMMONJPHVIGSL-UHFFFAOYSA-N	693.823	8.867	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409396219	XDRGPZWGCGTTQY-UHFFFAOYSA-N	730.196	8.379	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396789	BEIHZKYAWGPESC-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409397076	FYBVRQGHPFZAQP-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397204	HJEFUYJHFQRNDP-UHFFFAOYSA-N	674.106	6.523	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397334	IURKDPVBZMXHAU-UHFFFAOYSA-N	696.341	8.194	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398956	XAGLPWZMIDSUSE-UHFFFAOYSA-N	603.418	7.042	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCC(=O)Nc3ccc(F)cc3)o2)cc1	409401047	GDFFURNWXHYBOD-AEUUOICLSA-N	625.613	6.095	50	40	KKGB	
COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409403089	LVDFLPLOGMNYJM-NUJZUDFISA-N	512.393	6.345	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3ccccc3)cc2)c1C	1529548872	XLKDINVMGWWASS-PXGAREHLSA-N	651.789	5.558	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(Cl)cc1	1531386389	VILOLLDVRXJIOU-KMUKQRDJSA-N	584.072	7.271	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1cccc(Br)c1	1813989	UXRBYYRRYAJNKU-VULFUBBASA-N	532.895	6.109	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c(OC)c1	1835276	NLJZDRVESHKCOZ-DHRITJCHSA-N	510.666	5.243	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	2177577	FBDSFMKNHPKIJD-RWPZCVJISA-N	518.466	5.458	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1c(O)ccc2ccccc12	2177594	DULJQPOWNFVQIZ-WKULSOCRSA-N	542.444	5.193	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1Cl	2705888	UPXLJUQPIMDUMV-KKMKTNMSSA-N	562.276	5.697	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1	4018598	NWTGTNFKVZWQLS-FVPSJGGKSA-N	553.446	5.490	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cc(Br)cc(Br)c1O	8396923	AVYULMIBNBYOQC-VHAYKOJPSA-N	628.778	5.591	50	40	KKGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1	8427619	IZQZPZBQYUJGFL-KCSSXMTESA-N	603.425	5.425	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1cccc(Br)c1	9693446	JKOYOTKWJXAANZ-QGZVFWFLSA-N	505.235	5.431	50	40	KKGB	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)n1-c1ccccc1F	12558799	YKBYAMCSOUYKOJ-PXLXIMEGSA-N	509.493	6.151	50	40	KKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)NN=C3CCN(CCc4ccccc4)CC3)c3ccccc3n2)cc1	20573329	AVKYXAKOKFXOTA-XMMPIXPASA-N	504.678	6.840	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccccc2)cc(Br)c1OCc1ccc(C)cc1	28217891	JAXGXYSLDSFXBA-JVWAILMASA-N	513.457	5.978	50	40	KKGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)cc1OC	58917516	JRCQVNNSBHGHOQ-LMKWUWKYSA-N	502.014	6.338	50	40	KKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](Cl)[C@H](Cl)c2ccccc2)cc1[C@H](Cl)[C@H](Cl)c1ccccc1	68563592	BCPUHZDSXYHLJT-YSFYHYPLSA-N	514.192	8.023	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)cc1	97960713	VXDLUTKKHGYQDQ-MOSHPQCFSA-N	602.856	6.867	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1	97960770	YJNUIXANNAPMGY-MOSHPQCFSA-N	587.255	6.741	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1ccccc1CN1CCOCCOCCN(Cc2ccccc2P(=O)(c2ccccc2)c2ccccc2)CCOCCOCC1	97999645	PFJNJKYDNKYCLU-UHFFFAOYSA-N	842.954	6.350	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)N2)cc1	98048673	YMDYECXNWGLZTO-RUZDIDTESA-N	603.022	6.667	50	40	KKGB	
N#CC1=C(N)OC2=C([C@@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12	100032496	IKOMRXHEXITANB-JOCHJYFZSA-N	527.499	5.371	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1OCc1ccc(Br)cc1	100371058	BCTJLFRSKQOAMN-ZCTHSVRISA-N	545.433	5.423	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	101075860	XHRWXUFOFIPPIU-DEOSSOPVSA-N	525.070	6.364	50	40	KKGB	
COc1cccc(N/C(SCC(=O)N2c3ccccc3Sc3ccccc32)=C(/C#N)c2nc3ccccc3s2)c1	102929833	LTMXGDMIJYWDRA-JBASAIQMSA-N	578.744	8.172	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1	102932937	HCGCJZPXVFUZEB-WOJGMQOQSA-N	556.800	6.534	50	40	KKGB	
O=C(O)c1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21	102975622	WHONIVQSYJOJLV-WWFBMYBLSA-N	559.869	7.094	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2cc(C)cc(C)c2)cc1	103901314	DUYXVBDRDAUJAM-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
CCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCC	150382838	LZSNHQOLTDNQCS-ZHUQPBLSSA-N	680.691	9.706	50	40	KKGB	
S=C=NP1(N=C=S)=NP(N=C=S)(N=C=S)=NP(N=C=S)(N=C=S)=NP(N=C=S)(N=C=S)=N1	150472801	UDRFJPDGOWSGQB-UHFFFAOYSA-N	644.604	8.607	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	162477323	ATMKAPOOUPCAIN-IZYHBKOJSA-N	735.484	7.396	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(I)cc1	164706188	WTNXTCGTUGYQGD-KQWNVCNZSA-N	719.361	6.129	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1	408553296	NOJNMJMIPIAABL-RAWMCFOBSA-N	521.744	5.336	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	408567421	DQPAWTUWROBLSU-CCVNUDIWSA-N	587.517	5.734	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Cl	408580408	PIOCGTLKSNSAKR-LZYBPNLTSA-N	506.216	7.690	50	40	KKGB	
O=C(NNc1cc(Br)ccc1OCc1ccccc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1	408603795	HCCLCIQWAGHURB-KRWDZBQOSA-N	514.807	5.178	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1C	408637321	IJYNPFAECXPRKE-HFZDXXHNSA-N	540.443	6.526	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408712062	XVPXMACXJLRVAW-VULFUBBASA-N	538.345	5.275	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1	408745814	PHTHRRUIGYXNQC-WQRHYEAKSA-N	538.354	5.499	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1	408756092	TWXYOWYNPNHUQE-CPNJWEJPSA-N	538.387	5.733	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408757023	VVSYOWFDQXGCBX-JJIBRWJFSA-N	596.565	8.512	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1Br	408762578	FAPPXPYVGQXHSV-SDQBBNPISA-N	590.009	5.287	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408775187	ORJGBBCFCWECAD-IPPBACCNSA-N	539.963	5.021	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408789826	RVHBHVYXSMQILF-ZVHZXABRSA-N	571.427	6.522	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)c1C	408790735	YAMKTLDSKQWXMQ-VXLYETTFSA-N	652.245	6.776	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1Cl	408793969	GVGQZWXYSQVCFU-OMCISZLKSA-N	723.563	8.289	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1cccc2ccccc12	408794880	TYXYNUYDZOEJOK-ZVHZXABRSA-N	588.445	7.195	50	40	KKGB	
N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795930	NQPSMRFNAYQEDP-XIEYBQDHSA-N	501.561	6.953	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408799167	YFYPCOWTZQLVOO-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(Cl)cc1Cl	408816045	KGWVXFYEAPLLMM-MFOYZWKCSA-N	564.238	7.418	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1	408820485	XZHVUIKXHVOVLJ-FXMZOFOKSA-N	641.541	7.717	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408824278	GOBMKRRMRZDVCS-HZHRSRAPSA-N	547.413	7.836	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408827876	MXAXUFNKVWPFHH-HZHRSRAPSA-N	652.770	8.569	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccccc1	408829335	NPQIVCKUVDWTKP-XLNRJJMWSA-N	532.021	5.870	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408830232	OXFPDMLIQWGGAT-HZHRSRAPSA-N	574.420	7.605	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)c3ccccc3C)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408831264	PABFXUSDCIXUCM-UXHLAJHPSA-N	515.635	5.360	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)cc1	408832030	QXCOWOGPEFDZMZ-MOSHPQCFSA-N	546.476	5.718	50	40	KKGB	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408838585	GKPUULGEJJQEDH-UHFFFAOYSA-N	528.815	5.644	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408840851	CHONCZPGMGXDIH-OEPDXVHDSA-N	653.591	9.365	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408841634	FZFGLQKPANPQNB-NSMFXTPDSA-N	523.976	5.975	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408842252	JPTMJJHJDOYPJE-XZYGTATASA-N	657.104	7.026	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2I)cc1	408849034	XSTHQRLMTDSXLC-PTEHHBOZSA-N	787.861	8.615	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cn(Cc5ccccc5F)c5ccccc45)cc3)cs2)cc1	408849631	ZPOJPLZQQWPKNQ-MWBNBJEGSA-N	559.670	7.768	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1	408855746	CXJIUYWJARBKAC-FNTLCPBMSA-N	683.186	6.526	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1	408856142	ILYZGBWDNHBDBQ-VULFUBBASA-N	502.796	6.236	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc(C)c1	408858202	XPXXPYQTAJVTFB-NUJZUDFISA-N	541.829	6.899	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccccc1Cl	408863006	OGSUZKDUKWVHLB-KBKYJPHKSA-N	549.878	5.339	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN2CCCCC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408868552	AHXHNKMFXRDENP-RPPGKUMJSA-N	529.262	5.280	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408869453	SEKYSNBHILSDFM-FRKPEAEDSA-N	647.218	7.750	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(=O)c3ccccc3)c(OCC)c2)cc1	408880580	IJMXJOVYDLJGMK-KGENOOAVSA-N	563.404	5.789	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccccc1Cl	408883241	UJHPRXHESNIZLB-WOJGMQOQSA-N	555.812	6.324	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408886178	IREROITXPLMQBA-GZTJUZNOSA-N	517.390	5.705	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OCc1ccc(Cl)cc1Cl	408887467	OPORGGUMPRBHMO-RQZCQDPDSA-N	625.144	7.960	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408889783	HBWGDELQXWWEBC-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408889810	JHOAWQIXKDSOLV-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1cccc2ccccc12	408890733	YICBFFMLUNCKIJ-FYJGNVAPSA-N	596.308	8.432	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2OC)cc1	408891076	KYWALTCQRXXTPH-LICLKQGHSA-N	537.912	5.039	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1	408899966	RYADWPIHNGVVKI-VCHYOVAHSA-N	603.800	6.376	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1	408938692	REMSANGKPYNLPS-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12	408953832	YIGKUXJAQHMQQX-JGCGQSQUSA-N	677.610	6.611	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1cccc(C(F)(F)F)c1	408961367	BPPVLTUQLGUPSX-KVSWJAHQSA-N	558.725	6.306	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1	408972209	NMAZMAGYYMSGTL-NDZAJKAJSA-N	539.470	6.367	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	409002764	PXCIQEQJAUATGG-WGNYSBQHSA-N	731.443	6.641	50	40	KKGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409006654	QOETXHBVOIDEFJ-NDZAJKAJSA-N	540.085	5.393	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1cccc2ccccc12	409012682	LCDFQUWXRPUURP-VDABMYDYSA-N	566.613	6.841	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409037755	YZLFUYLFBMZFIZ-FZPRHHONSA-N	571.420	7.460	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	409077999	GHOYPXBNROIMPM-CXUHLZMHSA-N	575.883	6.400	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409109870	NAHSDYDTQZLRMY-KCSSXMTESA-N	637.070	5.130	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1	409152400	FEJMWRHJMMUYRO-VVEOGCPPSA-N	693.336	5.094	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)cc2c1	409183399	BWZRPMLXBDPKTE-DBFSUHOCSA-N	517.796	7.135	50	40	KKGB	
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409184397	WRZLDUIMZQQDSV-NDBXHCKUSA-N	658.299	6.171	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1cccc(C)c1	409220498	ARZJTPJZFNJXMY-VFOSSOBBSA-N	505.412	6.130	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(OC)cc3)c2)cc1	409225014	LOHUJUCOBGFHSP-UHFFFAOYSA-N	681.337	6.464	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)/C=C/c1ccccc1	409225167	PEQJTRBUMSMMHN-NOZULVOLSA-N	584.028	5.992	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12)c1ccc(Cl)cc1	409227262	UUQCVANTIVPZBM-CWUYGARXSA-N	546.026	5.302	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)NCCCc1ccccc1	409236394	FSEKRJDINRVRMB-BKUYFWCQSA-N	510.377	6.137	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccccc1Cl	409256399	OIEJZMMSLDDVCI-ZRGSRPPYSA-N	565.649	5.646	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1OC	409311749	HMIHYBRYIIIVTB-MNDYBZJGSA-N	509.389	6.507	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)ccc1OCc1ccccc1	409319702	KMLYDJCCLAFACR-MNBJERMJSA-N	500.982	6.271	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1Br	409356345	MMEINSPEQWYIJT-XODNFHPESA-N	542.231	5.224	50	40	KKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(OC)c3o2)cc1OC	409369872	GUCZLQPIMIFINM-JBBSTVMTSA-N	509.784	5.807	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	409373884	WQSCJHWYDSPVHQ-LQNQUEJISA-N	516.985	5.928	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc(OC)c1OC	409395113	KAQASKJFNGKNIG-UHFFFAOYSA-N	628.479	6.606	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409395114	KAXVUDBYMIVTLJ-UHFFFAOYSA-N	567.001	6.942	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409396119	WNACWOKEMHWNNS-UHFFFAOYSA-N	665.853	8.124	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397239	HTLGAVBSKKPSNB-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c([N+](=O)[O-])c3)o2)cc1	409404914	RJFFIGYHWCYPBZ-AEUUOICLSA-N	642.068	6.609	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccccc4)c3C)o2)cc1	409410489	XNVVRYQDVDXOKC-MZFJOGFUSA-N	506.606	6.438	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/C(Cl)=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1800453	NFVRYZAUBLQTEO-MKXSWHDLSA-N	544.124	7.014	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)nnc2-c2ccc(Cl)cc2)cc1	1906191	LONAGRJULVOIIN-FDAWAROLSA-N	548.112	6.526	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)cc1	2726838	VCIIBHMCLVVJIY-GZTJUZNOSA-N	520.916	5.981	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)cc(Br)c1O	4062717	BVHPUXBUGSRKSD-MZJWZYIUSA-N	537.439	6.184	50	40	KKGB	
COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCc1ccccc1	4352790	KGLQTILGAMAHNO-FTDKWWBHSA-N	564.594	5.718	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	58852863	QXIFVYOCUGBGFA-RDRPBHBLSA-N	521.042	5.093	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1Cl	59336280	NHFRALHIWDNGCF-PDGQHHTCSA-N	501.797	7.170	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	59417172	GUDBTDNVMCOJGJ-QDTIIGTASA-N	507.852	6.222	50	40	KKGB	
O=C(OC(=O)c1cccc2cccc(I)c12)c1cccc2cccc(I)c12	95676760	ZGPKJQSZWQSYCS-UHFFFAOYSA-N	578.143	6.199	50	40	KKGB	
N#CC1=CN2[C@@H](C=C1)[C@H](C(=C(C#N)C#N)c1ccccc1)[C@@H](c1ccc(Br)cc1)[C@H]2C(=O)C1CC1	97949523	ZMPYJEBDZFLRSN-VWEWBFCZSA-N	521.418	5.659	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	97962906	FVNFFDKGJXMAHA-VULFUBBASA-N	551.846	5.341	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1	100174656	OQGUEKPOQLAJOJ-UZWMFBFFSA-N	589.718	5.772	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292987	ZZXKCYNWYGSMPV-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343756	ONFLPUARTGCTGN-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c(OC)cc(OC)cc3OC)nnc2-c2ccc(Cl)cc2)cc1	100852031	URVMOCXCIQFVEJ-OKCVXOCRSA-N	582.082	5.255	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-]	102933490	JWGBRDKLNGPKEZ-XMHGGMMESA-N	542.345	6.275	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Br)cc1	103883991	PODMWXRMIOTGFD-KQWNVCNZSA-N	580.910	6.336	50	40	KKGB	
C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341164	GYYMXRPZVTUFET-GSVOUGTGSA-N	938.088	11.657	50	40	KKGB	
CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341226	HSSFRBOPTUWKGT-YFKPBYRVSA-N	866.128	11.166	50	40	KKGB	
CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341628	WGZFOMQELALGHS-ZDUSSCGKSA-N	978.344	14.287	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Br)o1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Br)o1	150353624	XWJBDZQDZCRFRF-BWGHBQEHSA-N	646.208	6.215	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1	150568063	OZCOMLIMBHRGES-KPGMTVGESA-N	640.943	6.299	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(I)cc3)c3ccccc23)c(C)c1	216049597	XFZAJAJXDDBGCM-MUFRIFMGSA-N	535.429	5.912	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](SC)O[C@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@@H](O)[C@@H]1O	252438264	OYSKUZDIHNKWLV-DCVCWJGXSA-N	663.406	6.422	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408539339	VQSIGLZNMKQHPA-FSGOGVSDSA-N	576.693	7.805	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408539545	XFAFWUOVBMYEAD-FADJLKOXSA-N	605.204	9.109	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2OCC)ccc1OCc1ccccc1	408540839	WIVCVJZFKHHJHR-KMUKQRDJSA-N	637.958	7.822	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550122	BSKHFZQOXAPDJK-NVJOKUIPSA-N	520.800	5.745	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552457	PTSCJXULLHAIHD-CXUHLZMHSA-N	633.273	6.955	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	408568522	KFKJXVZMTCTCFS-KPGMTVGESA-N	766.464	7.636	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	408718038	DKGMEGAULXIKDE-ZCTHSVRISA-N	556.416	5.613	50	40	KKGB	
N#CC(C#N)=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1	408725745	JLTXXGBACXQVFX-UHFFFAOYSA-N	546.533	5.559	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2I)c1	408744133	JHERIRGLRYGMOZ-JAIQZWGSSA-N	587.255	6.795	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408745018	JCIIDVLFGLFFIX-ODLFYWEKSA-N	584.366	5.131	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)ccc1I	408745956	BKYXUDPWJVJRGY-LGJNPRDNSA-N	550.780	5.305	50	40	KKGB	
N#C/C(=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(I)cc1	408754456	QTADGEHTRICOAB-QNGOZBTKSA-N	580.403	5.758	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1	408754638	KZKXMQYXDVNZPC-FMFFXOCNSA-N	530.665	6.298	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408765431	POGHCYIWHHHCCS-QRVIBDJDSA-N	561.863	7.779	50	40	KKGB	
N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N	408777360	YAAMBTUSKXVYLJ-QWTLNYTMSA-N	523.065	6.295	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(Br)cc1	408787475	APXZULYMENWAEU-WOJGMQOQSA-N	682.150	7.340	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1cccc(C)c1	408787842	GXENXYOCDGSUGE-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1C	408792818	CJHXMGDROHLFHY-QGMBQPNBSA-N	609.145	8.260	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408800349	OGOZJHUUVQOBPR-XDHOZWIPSA-N	508.836	7.812	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccccc1C#N	408808388	GBJPHABGVOPJAK-FMCGGJTJSA-N	546.421	5.530	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1	408809319	NVJMZEAXDOXRKC-WSDLNYQXSA-N	596.421	5.828	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	408816537	YXJVCABNUVFLIK-XDHOZWIPSA-N	518.356	7.179	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc(C)c(C)c1	408826295	BVTTYXFDEMWWQF-DHRITJCHSA-N	713.399	8.927	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12	408832027	QXAOJRVVZPBKDX-MTDXEUNCSA-N	623.536	9.249	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408832277	QKESLXWOBCWEIA-OEAKJJBVSA-N	621.890	7.954	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408837982	QBLRTJPHRBELMA-UZWMFBFFSA-N	606.060	5.236	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1ccccc1F	408842299	KCVZQKAGRAXIJP-JJKQSNDFSA-N	607.427	7.079	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccccc1Cl	408844085	OLNPENLPXVZANH-HBHSWBPBSA-N	667.935	7.992	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	408844743	WEHRBNQFWOUFJF-RUMWWMSVSA-N	541.673	5.482	50	40	KKGB	
COc1c(Br)cc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)cc1Br	408845028	JQTFPXPVJUXIAM-KVSWJAHQSA-N	580.704	6.833	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc2ccccc2o1	408856735	KWMPACGCAPAOFF-BCHBDCPOSA-N	619.209	5.872	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408858005	QZZXPTVVWHMQCU-ZMFRSBBQSA-N	528.200	6.301	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4cccc(Cl)c4)c3C)sc3c2CCCC3)cc1	408859977	WLOWAQJVIHVFQE-KQWNVCNZSA-N	569.130	7.794	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)cc1	408863760	PUXYPXSYKPUXKC-QXUDOOCXSA-N	615.111	6.065	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)cc2)CC1	408883562	QFOOGFZIFJYJBP-PPFNPFNJSA-N	534.660	5.360	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Cl)cc1	408884882	VWFFNZSBGITEPK-DEDYPNTBSA-N	509.787	6.026	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1OCc1ccc(Cl)c(Cl)c1	408885824	BJVRJUJSQWDPHE-LFIBNONCSA-N	522.215	7.433	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OC(=O)c1ccc(C)cc1	408887103	NXIPANVIWAKCJW-XDHOZWIPSA-N	538.341	5.373	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2OC)cc1	408924231	MDBGWABNIDGKSO-LFIBNONCSA-N	533.389	5.324	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	408955720	OZVXDLIWCSRSKL-GBQBHJDMSA-N	606.476	5.424	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1O	408968695	BHBOISLIKVRCCU-UVQKAKQTSA-N	670.331	5.347	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccc(Br)cc1	408971989	NCNQMYIRDDOISO-VURDCNJBSA-N	596.522	5.405	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(C)cc1	408981499	BKOMHXQDBXJNRS-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
Cc1cccc2c(/C=N/NC(=O)CSc3cccc4ccccc34)c(C)n(Cc3ccc(Cl)cc3)c12	409032142	IKLHKJGKRXHXOU-VTNSRFBWSA-N	512.078	7.355	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)cc1	409056921	NNXPAGXEACYCQT-YBFXNURJSA-N	556.254	6.653	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409066766	BIVMLKYLMOEKBL-SFQUDFHCSA-N	531.815	5.724	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1F	409070566	CGXHDNNLRYNJJD-JJIBRWJFSA-N	500.570	6.476	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1	409075254	QFAUVFFPATVDHV-GHRIWEEISA-N	561.841	5.815	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409115646	NEXXRYVGSOHREY-AABVJFSESA-N	691.977	6.797	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	409138209	YUSUPFOXRFNSDD-WCMJOSRZSA-N	681.383	6.351	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)c(Cl)c1	409148815	SCFUFBIZJQMMLV-XJECJHNESA-N	674.534	5.837	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1	409149760	PXKGHWMRVYNCOO-BRJLIKDPSA-N	563.202	5.471	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409154195	GAGCHHDQEAQFDH-ROPCREHHSA-N	629.939	5.327	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1	409186175	YCFGZTBTRALMSO-JJKYIXSRSA-N	521.683	5.449	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409218191	DHSUYLYZVHHYJN-UHFFFAOYSA-N	601.999	5.321	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409226117	SFAXYPSFXZSBHF-UHFFFAOYSA-N	656.276	6.900	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)NCCCc1ccccc1	409239435	MSZXJXSISDEZNY-ITYLOYPMSA-N	572.446	6.679	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccccc1	409244400	BZGZGBJEFGTUIJ-RIWZNOJBSA-N	505.368	5.511	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1	409250861	YNXMYFROEAPETJ-ZMFRSBBQSA-N	614.196	5.307	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409268207	ZSJRYGKQTLCZLC-VXLYETTFSA-N	615.855	6.133	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)cc1	409268638	WXWJKOKRVSMONA-JAIQZWGSSA-N	641.316	6.178	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3Br)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409322736	MYSQYAJKBPFVRG-NHCUHLMSSA-N	627.344	5.573	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3F)NC(=O)[C@H]2C(=O)OC)cc1Cl	409326183	HWQQBIITOXHFOW-UXHICEINSA-N	631.307	5.403	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C(C)C)cc2)Cc2ccc(Cl)cc2)c(C)c1	409369380	LMJRTDIOJIAINB-UHBFCERESA-N	526.102	5.730	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1C#N	409371798	OQMYHHNETRZQCI-FBHDLOMBSA-N	504.340	6.271	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1ccc(Cl)cc1	409372037	DQWONNLQKXJKPV-HNSNBQBZSA-N	529.036	6.972	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccccc1C#N	409384948	GZNKSOXTHWKTSW-IPPBACCNSA-N	626.432	6.027	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409394769	FREATSDUUKPPED-UHFFFAOYSA-N	737.729	9.154	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396156	DBWIUABYDYORFA-UHFFFAOYSA-N	636.026	7.898	50	40	KKGB	
COc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1[N+](=O)[O-]	409404714	QSSFHLDOLJGRLY-MUXKCCDJSA-N	567.396	5.709	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cccc2[N+](=O)[O-])cc1	409409880	RPQZSBHIKDWPOJ-SKVVTGSVSA-N	634.645	6.566	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cccc2[N+](=O)[O-])cc1	409409993	SJEXYRRSSQPRJM-FZKWRIDDSA-N	592.608	6.466	50	40	KKGB	
COc1cc(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1Cl	1531386413	KIOUBSYRTGZJBH-VHFSBPNMSA-N	662.968	8.034	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1OCc1ccc(Cl)cc1	835835	SNZAKXBCNXNOAT-BHGWPJFGSA-N	524.742	5.198	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	1884737	OZKVWOKFZZDUSL-LDADJPATSA-N	551.451	8.013	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1cccs1	2056363	YKFUWCKYJPYHTR-JOCHJYFZSA-N	500.605	5.099	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	2395790	ZVBOBPMDGLSPLR-LRXXLLMYSA-N	521.708	7.184	50	40	KKGB	
O=C(O)c1cccc2c1N[C@@H](c1ccccc1Br)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21	6445677	WHONIVQSYJOJLV-VLDBVROHSA-N	559.869	7.094	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc2ccccc2c1	9019528	MAFLYVYHKHHGKG-VAMRJTSQSA-N	505.647	6.337	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(C)cc2)cc1	19956850	ISGFFDGZAKTEIT-UHFFFAOYSA-N	529.772	6.689	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	20060098	SNFCRBGMKMHCFV-JFLMPSFJSA-N	520.438	5.046	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1	59401550	SXIPNNBONMOPIL-LQKURTRISA-N	503.451	6.604	50	40	KKGB	
COC(=O)c1c(NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)sc(C)c1-c1ccccc1	97948425	YFFFXYRQPBRYHS-UHFFFAOYSA-N	568.902	5.323	50	40	KKGB	
N#CC1=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccc(F)cc12	98007208	LJAIRVWDKFMYDH-SANMLTNESA-N	598.607	5.399	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1cccc2ccccc12	100062895	RZWLEKRJBSCYSM-LJUMEUDFSA-N	596.319	7.035	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	100125733	DMIYLGUEKXOSON-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
CCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1	100873214	DWLODBBJRZSJBM-KGENOOAVSA-N	528.505	7.936	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	100956934	WOLIQLXJNIYZNJ-VHENUOIUSA-N	611.537	5.721	50	40	KKGB	
Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(c2ccc(Br)cc2)C1=O	100990675	VJJPRZQTKMXKRB-CKVBZJJFSA-N	522.424	5.093	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1	100990699	OAPAVDSQDUMUEQ-OGCOBRASSA-N	556.009	6.144	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@H]1c1ccccc1Cl	101305130	GRQPOFKXWWMXAB-RUZDIDTESA-N	598.046	7.127	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1OCc1ccc([N+](=O)[O-])cc1	101655818	WQFCAAIJZXEGPZ-KBVAKVRCSA-N	558.978	5.852	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1	102934498	GZVDATFRIVMKTG-YBFXNURJSA-N	569.355	5.641	50	40	KKGB	
COc1cc(/C=N\NC(=O)CCCCCCCCCCC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	104224882	STNASBDZXLIGOD-YWQXDYITSA-N	614.740	5.240	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CSc5ccccc5)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709486	UMOKOSBUKCXMKA-ZBWQNHCRSA-N	589.761	7.977	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1C(F)(F)F	150385821	UFTZKOSVVPCRPH-DLCNMLRHSA-N	647.517	6.217	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(N4C(=O)[C@H]5C[C@@H](Br)[C@@H](Br)C[C@H]5C4=O)cc3)cc2)cc1	150519450	JHKJDVOEKAVXOC-FATVKVNYSA-N	683.349	5.680	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	150637520	UBWYPFJSVDTDKL-BRJLIKDPSA-N	657.202	5.156	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408541179	FEKNBDJLZLSGPC-GRSHGNNSSA-N	566.364	5.579	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C	408547158	SJNYCCZXABUTQK-PDGQHHTCSA-N	599.086	6.842	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408567526	OIZSCUXCAUCVGY-MUFRIFMGSA-N	513.863	6.672	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1OC	408581520	XOZJHWAPRXCFKV-VXLYETTFSA-N	529.228	6.872	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408581770	ZGJFZRYPIULCSZ-AWNIVKPZSA-N	543.712	8.439	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N2C(=N1)SC(C#N)=C2N	408606108	OBMMIULKYIHCLG-JOCHJYFZSA-N	532.969	5.532	50	40	KKGB	
CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	408636600	AXJSGITYBAHKLU-NZQKXSOJSA-N	534.436	5.464	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408641698	LCCWWUGXQBCBHZ-WVXKDWSHSA-N	645.175	5.934	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408718970	ZATVHXQDIMEHTP-KKMKTNMSSA-N	523.214	5.893	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408726742	VAZKGZVRATXANM-ZDLGFXPLSA-N	576.274	7.288	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(OC)c1OCc1ccc(Cl)cc1	408743924	IIDJBZNCVDDBEO-STZFKDTASA-N	537.841	6.964	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2I)cc1)C(=O)Nc1ccccc1I	408752621	FKTMGUIXGILYOS-LGMDPLHJSA-N	649.226	5.459	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccccc1-n1cccc1	408764837	SYEOXGMBHFOXTE-ZCTHSVRISA-N	524.418	6.736	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1	408781662	DZDQMTXXRXHDDT-KQWNVCNZSA-N	532.438	5.292	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408787578	CATBTHFWFJMGCH-XIEYBQDHSA-N	539.429	7.153	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408791558	YRTDSNMBWLKJBZ-DEDYPNTBSA-N	550.365	5.659	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408796664	YTRYBAHLEBSJAY-VCHYOVAHSA-N	576.274	7.288	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1	408808034	CUWVRUBSIDGDTP-WBIBEUCMSA-N	863.275	8.609	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc2ccccc2c1	408811299	BAXZLFDIGOMVJN-UCQKPKSFSA-N	592.408	7.107	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1	408820819	ZDHLYPNMUXNLAO-GRSHGNNSSA-N	546.248	6.567	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	408829477	PKSDWTTWAUXEHE-XBQJKBNESA-N	605.716	6.434	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl	408829910	XRQQDUPDYFSXOU-XAZZYMPDSA-N	611.334	7.048	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408838205	CUATURUUYJYFIH-UHFFFAOYSA-N	553.254	6.842	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(OC)c1OCc1ccccc1C#N	408840960	GUGPCPCTVKYHNE-KULFSUQXSA-N	605.642	6.786	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408842431	KCYYUGWKWBUSSN-UHFFFAOYSA-N	653.794	8.166	50	40	KKGB	
CC/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(OC)c(OC)c1	408842567	QLQNMYQIAIQBAC-VINSFMKSSA-N	503.624	5.022	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(Cl)cc1	408845621	QSRNIERKWAXQIZ-HBHSWBPBSA-N	714.935	7.834	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408846244	PUWCOMBIPCESAU-MBTHVWNTSA-N	534.366	6.175	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Br)cc1	408850613	PLVQEIAKVMPNDX-YBFXNURJSA-N	547.674	7.907	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1cccc(Cl)c1	408853479	UIAGKJAQBPWETK-VCHYOVAHSA-N	576.793	6.607	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408860643	AWMNHSKALNARDD-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408863556	SRIDYXKVDGAYSG-HNSNBQBZSA-N	608.116	5.590	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1Cc1ccccc1Br	408876827	QZVUSSMSIBWNFY-FYJGNVAPSA-N	509.831	6.946	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(OCC)c2)cc1	408879493	GMLNOMWMEHPSLF-PXLXIMEGSA-N	549.421	6.149	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OCc1ccccc1Cl	408894619	JVWWREITXNQRRP-VXLYETTFSA-N	526.376	6.733	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	408896968	VBWMSGBFUWTAGB-STBIYBPSSA-N	550.396	6.186	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(F)c1	408899245	OLKLAFNVXRIXCF-GIJQJNRQSA-N	610.345	6.972	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OCC)c1	408911388	NHYIVJPBTINMKP-BKZXGXTDSA-N	531.653	5.397	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924306	MREWPHLNMAYSSO-FRKPEAEDSA-N	594.860	5.927	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccccc1C	408926721	XRSRIMUMKYJVQZ-QGMBQPNBSA-N	652.272	7.338	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(F)c2)c(I)c1	408943228	HGZXMOMCHOAKFP-MHZLTWQESA-N	828.442	5.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)c(OC)c1	408950968	HXAODCDIMOQYIN-CJPARAFHSA-N	669.106	5.186	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1	408965775	IMUVSTCOEFTSRB-KIBLKLHPSA-N	503.727	6.629	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O	408972939	XDHFXSQJIXODNU-RHGLVLOASA-N	609.304	5.115	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)c2ccccc2)cc1	408976502	BAGVUIIFVPUMRE-VQRDECFVSA-N	596.797	7.010	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)c(Cl)c1	408977074	CTMQSZTWEYRDGC-MLCSCPQYSA-N	616.542	6.531	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)NC[C@H]4CCCO4)cc3[N+](=O)[O-])sc2c1	408987474	BEFQWQDACMBKEI-WVWKGNOCSA-N	599.694	6.119	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408998380	IXBJGMYTTWIJMR-APSNUPSMSA-N	719.100	7.025	50	40	KKGB	
CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409012970	JMAIDYXOFCPDRV-VVGVENEYSA-N	536.843	5.967	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2cccc(C)c2C)cc1	409025810	XKWNXOMTAZXRTN-FMFFXOCNSA-N	535.669	6.264	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409062954	DLVXGEOKVDEHKD-VFLNYLIXSA-N	619.310	5.714	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409072124	IHPSMROVZUFGTD-HAVVHWLPSA-N	532.618	5.444	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409085881	TTWQTUOFJVMMPN-RIYZIHGNSA-N	535.837	6.753	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccccc1F	409100488	OBBTUUNZLCDTDM-DEOSSOPVSA-N	539.357	5.513	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409139554	BARACVJDKAWPJW-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	409184410	WRZLDUIMZQQDSV-VPBXCIAMSA-N	658.299	6.171	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409218857	LMFVBPGSTOAGJC-UHFFFAOYSA-N	630.407	5.142	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	409219535	NPHHYICRSBYSJA-BJUCDSOZSA-N	580.855	7.191	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409225325	MVFJWWBPUIPANF-FZPRHHONSA-N	580.855	6.811	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1ccc(I)cc1	409235744	QDPSLDRZVSFRND-ZMFRSBBQSA-N	567.196	5.465	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1cccc(C(=O)O)c1	409240680	LTKWESFQCQYSKE-UCQKPKSFSA-N	549.421	5.391	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc2ccccc2c1	409242786	TXLTYDRVQXFVQZ-UUYOSTAYSA-N	581.388	7.754	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Br	409254368	XCDXEIYAYWPCQH-RGVLZGJSSA-N	583.280	5.761	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccc(Cl)cc1	409259003	WKTUKMKEJVGJTK-QNVXDBMFSA-N	650.975	8.295	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)c(C)c1	409263608	IIEFKTCXZRXZHO-SRZZPIQSSA-N	522.432	6.790	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409270385	FFBKLLPZXSWDJD-WBIBEUCMSA-N	640.165	7.696	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC	409310184	RUITZVHNZVAEII-FDVSRXAVSA-N	569.408	5.072	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OC	409315781	KPBXHEULSRNJBU-NUJZUDFISA-N	530.408	5.491	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)ccc1OCc1ccccc1	409322053	IKOFCFFZGVOJHW-KYHGBAKBSA-N	579.878	7.033	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1OCC	409323569	OLVPIJJZZDCNKV-MWLSYYOVSA-N	529.406	6.119	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	409324151	SJVNXAIFELGQQZ-NUJZUDFISA-N	574.859	5.600	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1OC	409325713	ZXUXYKHYOIQIHY-FDVSRXAVSA-N	574.859	5.681	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	409364959	RQWCQNUBDFEWPQ-YBEGLDIGSA-N	528.765	5.805	50	40	KKGB	
CC(C)(C)c1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409373128	QIKCNCVJKSLUSN-MNDYBZJGSA-N	611.389	6.395	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1Cl	409383817	IZXBBODTEZGWLT-YBFXNURJSA-N	513.471	8.238	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1cccc2ccccc12	409386650	QXZWQCRQQWOTMV-WCMJOSRZSA-N	604.482	7.467	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1	409387252	VKKOCGHOTWNFTB-LUOAPIJWSA-N	579.259	7.222	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)cc1	409394759	FNJOKRBUMTVDJO-UHFFFAOYSA-N	728.768	7.847	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395558	PAJFWLZCNVRYGK-UHFFFAOYSA-N	696.739	7.905	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397265	IBWDJOWHGOQVKF-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409397464	KDLZZYQXYBIMIV-UHFFFAOYSA-N	597.285	8.432	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)c1	409399295	ZCIHSIGYRWCJOV-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccccc1F	409401054	GEFDKRZNZBTZRT-ADJDCTSUSA-N	680.958	8.173	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	1529547079	IODWADDVBJXYAK-IMBFNDCQSA-N	740.891	6.873	50	40	KKGB	
CC(C)c1cc(C(C)C)c(-c2ccccc2[C@@H](CP(c2ccccc2)c2ccccc2)N[S@](=O)C(C)(C)C)c(C(C)C)c1	1857794995	DLRLCFOJDAMIJT-GJSZZFLHSA-N	611.876	9.950	50	40	KKGB	
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2cc(OC)c(OC)cc2Br)cc1	1082046	HVOWACBDIFODHS-IVCQMTBJSA-N	509.400	5.360	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(C)o1	1240414	DSKHBSFRKUDDGU-AREMUKBSSA-N	583.497	6.610	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1OCc1ccc(Br)cc1	1783735	HLFBQIGBXBKVPI-SNTQIRKXSA-N	595.519	5.398	50	40	KKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1OC	1906210	GZLPBXHREHHBCL-WOJGMQOQSA-N	516.450	6.774	50	40	KKGB	
O=C(NNc1ccccc1Br)C(O)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	2271213	CTNSEDNBMDZZNT-UHFFFAOYSA-N	533.266	5.866	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1	3085959	MPVNVGAQKRXFKI-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1I	3254434	VDNIAFRUXHMNPT-LDADJPATSA-N	514.750	6.069	50	40	KKGB	
N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1	3663277	CBKRBVBWMGHETI-FQEVSTJZSA-N	522.752	6.426	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(Cl)c(Cl)c1	6177772	UTNPIHSPEDSJRL-IBBHUPRXSA-N	517.416	6.019	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCCC1	6445744	JKDIDVNIQNANCB-TVMVJRKWSA-N	612.977	7.632	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1Br	8439793	VPJDTJOUBZZQOV-AMVVHIIESA-N	617.875	5.533	50	40	KKGB	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2OC)cc1	15911347	BLFLWYZXFQZYOF-UDWIEESQSA-N	510.468	5.625	50	40	KKGB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)c(C)c1	16701067	MMKKEETWXRKJGE-FCDQGJHFSA-N	506.606	6.581	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1cc(Cl)ccc1O)/N=N/c1ccccc1	16958891	WIZKOACVGYZSPQ-FKMMPOEYSA-N	513.989	5.863	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc2)S(C)(=O)=O)cc1C	20232650	NEMIYWJSOCBPMU-MZJWZYIUSA-N	504.439	5.340	50	40	KKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C(/C)c2ccc(-n3ccnc3)cc2)c(C(C)(C)CC)c1	33482691	BJLKLFDFCUPHIN-SNCSUOKWSA-N	502.703	6.947	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]12	34651263	QQPIYUDJYPYGNB-WZJLIZBTSA-N	503.605	7.180	50	40	KKGB	
O=c1c2c3c(sc2[n+]2c(n1-c1ccccc1)SC[C@H](Br)[C@@H]2c1ccccc1)CCCC3	54362773	JPUSDFVRBWLVJH-UGKGYDQZSA-N	510.502	5.677	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1Br	100852407	UQXAEKLNMWPJSG-UVHMKAGCSA-N	602.308	5.162	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	102808667	CGOORTMTNCGYFM-PMERELPUSA-N	564.642	6.851	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	102808997	RZLTVHHXODIKSP-RUZDIDTESA-N	550.080	5.954	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)N1CCN(c2ccccc2)CC1	103884794	IUNFPLVAKVJCON-JWGURIENSA-N	536.857	5.937	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)cc1	103889014	CNZMCBBWCYUPQC-CXUHLZMHSA-N	613.666	7.385	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889493	OVRHWCHQASEWIA-NVNXTCNLSA-N	581.637	7.442	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(F)cc1	103890622	BAVSESLPNHRUQG-YVLHZVERSA-N	564.238	7.418	50	40	KKGB	
FC(F)(F)C(F)(F)/C(=N\Nc1ccccc1)SS/C(=N/Nc1ccccc1)C(F)(F)C(F)(F)F	104046007	YFKHUYJUZBVUFB-GCFMLEDASA-N	538.436	7.614	50	40	KKGB	
CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341770	PHABHILYSJJUIC-QGZVFWFLSA-N	734.410	12.036	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1	150367584	DIDVIHDWVSDJNH-IPHFVPNQSA-N	643.121	6.205	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1)S(=O)(=O)c1ccccc1	150385325	YIQHNQMDZMAPRT-CHSHITCJSA-N	680.057	8.522	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(Br)cc1	150615315	RZCCXVJPORJBMH-ROTLSHHCSA-N	661.075	6.001	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795459	VBFNNEMNXIYYSJ-HDICACEKSA-N	842.316	12.501	50	40	KKGB	
COc1c(C)c(C/C=C(/C)CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(OC)c(OC)c1OC	195772381	YHKKAQITXCIVCO-RWEWTDSWSA-N	576.850	7.265	50	40	KKGB	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O[Si](O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)(c1ccccc1)c1ccccc1	263593269	BBEQKIUJQPOHPG-JUCXYSHESA-N	757.144	10.077	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552085	NZIUABNFGMSUDR-ULTCEKQJSA-N	680.248	6.797	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	408554247	QZHLZSWYKBQOLH-CXUHLZMHSA-N	502.741	6.637	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408579644	IYZNPBBETULJFZ-XDHOZWIPSA-N	577.294	6.751	50	40	KKGB	
O=C(NNc1cccc(OCc2ccc(Cl)cc2)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408611836	WXWSDDQJKACMBR-KRWDZBQOSA-N	514.807	5.178	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408640632	BBXQLNWBIFAXMM-UDZALUMHSA-N	714.794	5.577	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)NNC(=O)c1ccc(Br)cc1	408671005	RNJQHLHRLTYQIY-UHFFFAOYSA-N	623.287	5.661	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	408676499	JKEYOGPRIIIWGT-OKCVXOCRSA-N	582.296	6.026	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408735712	WPWWIRBBXUVEMO-HYARGMPZSA-N	531.837	7.689	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1C#N	408743111	DQRCPLINHSFTHN-BKUYFWCQSA-N	502.368	5.844	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)NCc1ccccc1	408747441	NYKMZBVBZOUGNR-NDENLUEZSA-N	512.322	5.233	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1cccc(Br)c1	408757009	VPGHZZCJCRKNKS-SOFYXZRVSA-N	729.106	6.512	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408760192	UEPJPHOLMRCTFD-DKOFFMRCSA-N	701.481	7.096	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408767119	VXJOGGCRJNDJHP-PDGQHHTCSA-N	586.420	5.378	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OC)c1OCc1ccc(Cl)cc1	408789226	OOMYFWFZJQTKMQ-TURZUDJPSA-N	565.069	7.781	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408833495	SOYLYUWREYMPTL-NHFJDJAPSA-N	589.489	8.306	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc(C)cc1	408836678	UFSJUOOJPYGYOW-MFKUBSTISA-N	617.927	8.123	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc(I)cc5)c(Br)c4)cc3)cs2)cc1	408838960	KVJAUUSHEWURGB-QNVXDBMFSA-N	802.330	9.335	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408841692	GSZYKXALTKIOBE-CCVNUDIWSA-N	602.885	6.974	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845684	QXXQNPDQNLSPJL-PUHLOBNQSA-N	835.849	8.667	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	408856278	JQIHVTMMUZHORD-MNBJERMJSA-N	524.964	7.038	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	408864384	ZNVOBVIOZICRIK-OCSSWDANSA-N	539.032	5.232	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(C)c(C)c1	408866780	GPVLZVWMANLNRY-SRZZPIQSSA-N	620.409	7.450	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408876448	LFOBRZXCERCDBL-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccnc1	408876487	PHIHKMAERDCHDX-MRUKODCESA-N	523.612	5.603	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408885369	YVHQOGFXVWNQLH-XKJRVUDJSA-N	622.328	6.539	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1c(Cl)cccc1Cl	408888384	VABDJZFPXPJOBA-SFQUDFHCSA-N	593.248	7.121	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OC(=O)c1ccccc1	408889649	IKUYOIDRGHMXQA-LICLKQGHSA-N	649.133	7.056	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccccc3)c2)cc(C(C)(C)C)c1O	408890826	ZUGIYYNWLUQZNY-AJBULDERSA-N	536.694	5.838	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(I)cc1	408894367	HRTPUNQCBIWHHC-GZTJUZNOSA-N	549.195	6.723	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2OC)cc1	408899868	RGJZDXPXSKCCHN-XZYGTATASA-N	639.587	7.069	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408923358	WLTWTEVRUWJDMP-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(OC)c1	408925513	UJJCOLHHQUSEMM-RZNGARSMSA-N	641.508	5.301	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408946367	MKWJDMUGIQAADR-MUUNZHRXSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(OC)c1	408949454	FLTXYRWBJJOJCM-FEFDWTNPSA-N	641.508	5.301	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c(OC)c1	408956645	RKXAEWHIFVJZLD-VOSMKULASA-N	675.953	5.955	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc(Cl)cc1Cl	408973916	CPRUVGBRPUNCCO-FWKYKAJFSA-N	587.285	6.462	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc2ccccc2c1	408978291	HVFWQPDSKKYHGA-RTQNPRDOSA-N	514.629	6.259	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)c3ccccc32)c1	408982370	XTTNWYDICLKNDR-KZYYCBDDSA-N	514.629	6.010	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1C#N	408984949	UPWVXXLEASWUNR-FBHDLOMBSA-N	597.840	6.648	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1	409012797	KULVWGBZNYAYJY-AQLQTECXSA-N	642.304	5.315	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409014336	OWKYCFQKOIAVOP-FOKLQQMPSA-N	555.166	5.137	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1	409020575	QQUQKQZVXUUOSQ-LSHDLFTRSA-N	511.157	5.687	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409036089	KKEMBXYWGIQAEB-DLCNMLRHSA-N	649.770	8.423	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)O)cc1	409065813	NNISDDRZZPRVQA-UDWIEESQSA-N	510.468	5.927	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(I)cc3)cc2)C2=C1CC(C)(C)CC2=O	409122981	CYHQHLSTCUEZHD-RUZDIDTESA-N	583.470	5.253	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409134492	UDYYWSSDEZOEPC-XMMPIXPASA-N	544.454	6.094	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409143910	OKSUFNQHYWOURG-OAQYLSRUSA-N	562.645	6.368	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1cccc2ccccc12	409186606	FLOMVKODCLLEEW-IPHFVPNQSA-N	548.639	7.455	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)COc2ccccc2)nnc1-c1cccc(Cl)c1	409191697	KZORBLPHEUDYQM-JFLMPSFJSA-N	537.001	5.207	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409219931	WRUPYEGTBQQWHD-RKGALKQQSA-N	726.765	7.408	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1	409219986	SKOMKCHXYBQQQW-ACXHZZMFSA-N	577.380	6.137	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1	409225506	OZXLONYNBIUKBR-CPNJWEJPSA-N	520.383	5.329	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409255975	MXJYZEZEDJANIH-YDZHTSKRSA-N	623.491	6.487	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)c1	409255998	NDVJUBMXOCGYFB-NVMNQCDNSA-N	617.725	7.045	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1C	409259985	IRFUQMFEGSZTBF-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409266021	JCTHOEUSZBBAOH-NUJZUDFISA-N	603.311	6.009	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)ccc1OCc1ccccc1	409309555	IZDHLNKSVFMSAE-DLCNMLRHSA-N	628.350	8.077	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@H]1c1cccc(Br)c1	409316520	YSFWOPHGMKWEIC-FGZHOGPDSA-N	507.409	5.273	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)ccc1OCc1cccc2ccccc12	409331021	BRXCGMHHDMEXLD-HIWRWHBISA-N	511.607	5.477	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)ccc2O)Cc2c(Cl)cccc2Cl)cc1	409369394	MFPJRZIHJKEQND-KKMKTNMSSA-N	585.307	5.111	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)c1	409394735	FGFHLVARSIUOSG-UHFFFAOYSA-N	677.349	7.360	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)cc(OC)c1OC	409396017	VIBCEBVLFVLDJE-UHFFFAOYSA-N	563.610	6.152	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)cc(OC)c1OC	409396018	VIEQIOHEMJUPKI-UHFFFAOYSA-N	731.814	8.567	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1cccc(F)c1	409398591	DXBNVTBDRNUCLI-WBIBEUCMSA-N	610.642	6.195	50	40	KKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409402242	JIQYAQLAGBRRTM-IZKGUHRSSA-N	609.477	6.878	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1cccc2ccccc12	409407492	ZWPRCOOPSDXNEL-XFDYYPNTSA-N	678.583	8.533	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Cl)cc1	1529549086	SNOSONOKHRHZOP-GHUOZWDFSA-N	633.170	5.533	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Br)c2)=C(C#N)[C@H]1c1ccco1	1243885	SXQFJOSLXQCDNR-VWLOTQADSA-N	579.476	5.757	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)nnc2-c2ccc(C)cc2)cc1	1754473	LELBNONGYOIMQP-CCVNUDIWSA-N	526.449	5.801	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1	1888807	ZNOWBQSAGQMQFQ-BDPHVXEFSA-N	526.420	5.875	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	2330346	COTRUPHQSLNWDY-NSKAYECMSA-N	501.686	5.910	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1c(O)ccc2ccccc12	2350053	FIAXUYTXEAHHJB-BHGWPJFGSA-N	501.058	5.585	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(Br)c(O)c(Br)c1	3087409	KUYPJGOTSSSRPA-AUEPDCJTSA-N	541.037	5.526	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(Br)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	3664915	KGTPLYHSGOJNDH-QHCPKHFHSA-N	580.548	6.507	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(CC(C)(C)CC3=O)N2)cc1	35682048	FESVDUVCZYXFJG-DEOSSOPVSA-N	503.580	5.285	50	40	KKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)cc1	59222202	BONJVXJZCOOCBS-NUGSKGIGSA-N	563.084	5.506	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccc(C)cc3)o2)cc1	59647403	PUXDOITVZPWTKZ-BIZUNTBRSA-N	573.671	5.394	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1	97965858	QOXIEPFBFLJLPT-HAPYPFFUSA-N	653.610	9.284	50	40	KKGB	
O=C(N/N=C1\C(O)=Nc2ccc(Br)cc21)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C3/C(O)=Nc4ccc(Br)cc43)cc2)cc1	97983264	ZPNFJWNGCWRDCG-HEVIKAOCSA-N	804.408	5.840	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1	98001561	CBSPXPCRCWHQPZ-MWBNBJEGSA-N	663.366	6.138	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2ccc(C)cc2)cc1Br	100285971	KPTKYEPMRWRCBE-FDAWAROLSA-N	609.546	5.519	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	100478347	MWFQWDYNYUKFNG-CVKSISIWSA-N	554.378	5.042	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccccc1Br	102776849	FJOPURJVWUWDKI-PPDIBHTLSA-N	596.659	5.622	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC(=O)Nc1ccc(Br)cc1	102990207	AJBUBLRJOAFHLA-MHWRWJLKSA-N	608.798	6.693	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1cc(Br)ccc1O)/N=N/c1ccc(C(=O)O)cc1	104316887	VPWRLQMFARGJGI-WDDBZUGQSA-N	618.448	5.371	50	40	KKGB	
COC(=O)/C(NC(=O)c1ccccc1)=C(/SCc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	104407057	PDIKQVJQOLQDNM-NECWGFRUSA-O	588.689	6.686	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(C#N)c1C	107949458	NHKKGJYGGFPQQM-QGMBQPNBSA-N	618.336	7.472	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118916516	IDKDEJKAOLGAAX-BESXEZIHSA-N	604.619	6.173	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C	118931372	SPJCRMJCFSJKDE-HOQMLYJBSA-N	644.812	10.466	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](Br)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C	123219273	KFRQNXHOVDCRIV-KGCFQABDSA-N	530.473	9.245	50	40	KKGB	
FC(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341855	MSKVGSTXNAYQEI-REOHCLBHSA-N	942.051	11.564	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccccc1Br	150368484	CPMPCEBBLRIDDZ-UHBFCERESA-N	629.920	5.175	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	162483238	QSBQSWVXOVSBAK-XJECJHNESA-N	737.525	7.719	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@H]3ON=C(c4ccc(F)cc4)[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	250536951	MWNYMQJXYBAJDE-LQRJQBNNSA-N	631.624	6.960	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408542360	LEKLQVUFTIBKPJ-NHDPSOOVSA-N	561.819	7.079	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551971	QGCSYYIEYFTJTE-FRKPEAEDSA-N	577.320	8.237	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408554599	RZZXLXHXRWZMEU-QGOAFFKASA-N	500.555	5.201	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408568159	IELFZJSBOSTOHA-IPPBACCNSA-N	563.528	6.589	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1Cl	408609530	KCYQCEKNILJACA-PNQUVVCRSA-N	540.325	5.689	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(CC)cccc2CC)ccc1OCc1ccc(Cl)cc1	408611211	QGDYBEQNGPIBRF-OCSSWDANSA-N	508.018	5.531	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408674537	ZZUSALBRUDCYDU-FZOVPPBFSA-N	685.196	5.543	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408677655	UEEDZWORYAEPAC-FJEPWZHXSA-N	577.306	6.708	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(I)cc1	408711818	MCPNDCCFURLQEJ-RWPZCVJISA-N	585.239	6.550	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1cccc2ccccc12	408735841	XHRVTRBHVLNERQ-ODNPBWNPSA-N	667.503	6.650	50	40	KKGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(I)c1OCc1ccccc1	408740107	DPAHWDXOHGYYMW-OCKHKDLRSA-N	560.395	5.887	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	408745498	MWXXQTZCXZZHHL-LHLOQNFPSA-N	540.579	7.274	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747338	MMXQCGWVHVXJOF-SXGWCWSVSA-N	716.993	7.703	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccccc1	408749276	MZHPAWBXVJUPJB-VULFUBBASA-N	579.232	5.795	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc(I)c1	408758875	SZCGKSRILOPQJM-WOJGMQOQSA-N	559.201	6.178	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)Nc1ccc(Cl)c(Cl)c1	408765233	OOCBJQNHXAHWEZ-MUFRIFMGSA-N	507.377	5.566	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc2ccccc2c1	408795541	VQMDVABKVIBGNG-OEAKJJBVSA-N	561.863	7.779	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408797462	RQAMFNBABVQJMX-GIJQJNRQSA-N	703.145	7.890	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12	408800888	QBSQMVJXQZDAFV-DEDYPNTBSA-N	521.831	8.233	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC	408804193	CZKDOQZFNQDCQJ-XNTDXEJSSA-N	510.759	5.678	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3c(C)ccc4ccccc34)c(OCC)c2)cc1	408804936	HLNPCVSVVILHKS-PCLIKHOPSA-N	569.057	7.502	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2ccccc2c1	408831381	ZNGGVBFAGIOANH-JDQUBRHVSA-N	575.712	8.677	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccccc1	408833112	RMXHJIHVTVUMSK-BUVRLJJBSA-N	650.900	7.657	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408835814	ZJGXVWUJOINGDN-WSDLNYQXSA-N	628.339	9.012	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccc(Cl)c(Cl)c1	408840221	CMIKTACAAQOICB-KLPHOBTLSA-N	566.436	7.313	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)Cc1ccccc1	408840883	CTNIRODDWFZKNR-QNKGDIEWSA-N	551.599	5.258	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408845741	ZFEPFZFEVGOKIZ-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OC	408864093	SRUDSJDGSDNIBM-VVEOGCPPSA-N	634.858	5.484	50	40	KKGB	
COc1cccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)c1	408864890	AVTXWZWABDATOQ-ZAROQNEASA-N	606.476	5.424	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408867565	IXWOLYABPGBULV-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2cccc3ccccc23)c([N+](=O)[O-])c1	408882705	QHSLLCGFRDTFNJ-PXLXIMEGSA-N	509.518	5.890	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N\NC(=O)c5cc(Br)ccc5O)(c5ccccc54)[C@@H]3C2=O)cc1	408883415	RCDJPOWYVAREQS-XJMVVKOSSA-N	606.476	5.430	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1I	408887397	NUZYWOSLOSNZRG-KPKJPENVSA-N	670.026	5.445	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(=O)c3ccccc3)c(OC)c2)c([N+](=O)[O-])c1	408888092	WSXNKZWAJQTAGX-LICLKQGHSA-N	552.337	5.139	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1Cl	408938938	AQKBMCVPBQFASA-MHZLTWQESA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCc1cccc(Cl)c1	408947833	OHHWIRHKWUWVSF-NDEPHWFRSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)c(OC)c1	408948312	CQGLMWUHENCSKL-WHNQQBDFSA-N	780.470	6.673	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OCC)c2)c(OC)c1	408953077	LNLZQPDEFHGFHW-VIIJZLMMSA-N	701.176	6.200	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cccc(C(F)(F)F)c1	408966003	YODXCVFBSWOXRL-IPBVOBEMSA-N	695.173	6.166	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408968917	CUMAEQUTJJDOSR-OWEDTLPBSA-N	635.386	6.436	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1	408985160	VXKWCLOFRLHKNK-IUXPMGMMSA-N	534.212	7.328	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)c1	408999226	UAUXZJICFCFZFZ-VTNSRFBWSA-N	635.312	6.755	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409007587	PMRHWARCOORLEL-NUJZUDFISA-N	603.311	6.009	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2N)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409007913	RSFAQOPHVWECNL-YNFMAFFXSA-N	618.326	5.591	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1cc2cc(Br)cc(I)c2o1	409014312	XCAGHMDRUCJKEA-XAZZYMPDSA-N	751.156	7.901	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)ccc1OCC(=O)Nc1ccccc1C	409014922	QGUVUOLJBNYLHH-UHFFFAOYSA-N	559.066	6.236	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409052239	QTRGAYJTTCHOHE-XKJRVUDJSA-N	570.698	7.459	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)cc1Cl	409053127	XPYMNZLULLBTEY-RPPGKUMJSA-N	539.200	6.249	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078781	IEAVKXUKTJOOFS-CXUHLZMHSA-N	576.325	7.031	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1	409090692	NKQVXLABUYYWAV-AWNIVKPZSA-N	656.165	7.385	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)C2=C1CC(C)(C)CC2=O	409122791	BPDLHTHXXVWQNU-MHZLTWQESA-N	580.523	5.728	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1cccc2ccccc12	409130408	HSCFEBCGKQWTSK-SANMLTNESA-N	529.390	6.114	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl	409144206	ITMYQPWFRMPADL-XODNFHPESA-N	501.366	5.393	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Br)cc1	409144380	NYCQDVUAJQGTKE-QHCPKHFHSA-N	587.312	5.919	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3C(F)(F)F)c(OCC)c2)cc1	409155133	CALFYQUJIXVMNM-XJECJHNESA-N	726.490	5.994	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409180246	QJSBHRDJDXXZPE-XRKIENNPSA-N	659.758	6.547	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4cccc(C)c4)c(OCC)c3)cc2c1	409187838	UXCUQTJXFWWJIM-UHBFCERESA-N	598.437	6.486	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2N)nnc1-c1cccc(Cl)c1	409192893	FQSYDLOGUGFFPE-MZJWZYIUSA-N	521.990	5.024	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c2)cc1OCC	409220112	YGSVUFLVBHGDEZ-UHFFFAOYSA-N	551.599	5.719	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(I)cc1	409228209	VYBKTQFKPVCCRB-ZDLGFXPLSA-N	671.251	7.596	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409249578	JVHNJICZZJVBLV-UDWIEESQSA-N	611.436	5.576	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409254418	IMEZRWLVBILKKX-VHFSBPNMSA-N	640.165	7.614	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)ccc4OCC(=O)Nc4ccccc4C)cc3)cs2)cc1	409271340	UZYGWRGRTAMYTF-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C)cc2)ccc1OCc1ccccc1	409303120	LNYUAOQDBBCJSH-CAQPMQTCSA-N	559.460	6.688	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1OCC	409311044	DEUJSJTZDSTAAN-MBTHVWNTSA-N	515.379	5.729	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OCC	409335333	VMVDXWPEPZJAPU-ZMGVVAQMSA-N	679.939	6.231	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OCc1ccccc1	409364339	WJGFRYUOCUDIOV-YUMHPJSZSA-N	528.390	5.270	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(C)cc2)c(OC)c1	409372235	GACVTNGHNBFJNO-OKCVXOCRSA-N	580.422	6.113	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccc(I)cc1	409372985	UUUAUIKCXDVQIU-JAIQZWGSSA-N	541.186	6.569	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(Br)cc1	409394334	ZABZHIJUTQRIPR-GRSHGNNSSA-N	531.219	7.393	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396748	ARDKMMNPRHESEO-UHFFFAOYSA-N	571.555	7.154	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)c1	409397023	FCHSWHLSOJFQLY-UHFFFAOYSA-N	633.873	7.384	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)[nH]c12	409397064	FTWZJZWKYHRHON-UHFFFAOYSA-N	596.481	7.152	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397519	KSEWXYVRUJAFPH-UHFFFAOYSA-N	517.585	6.525	50	40	KKGB	
O=C(N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	1857795267	ZFZHBYWMGGPRFC-AREMUKBSSA-N	545.463	7.328	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccc(Br)cc1	1474608	NRRSKTRVRJLLIZ-WPWMEQJKSA-N	521.444	5.033	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	1888154	FTQZQSYQRDEREN-YMGIJWJESA-N	508.430	6.367	50	40	KKGB	
COc1ccc2nc(Cl)c(/C=N/NC(=O)COc3c(Cl)cc(Cl)cc3-c3cnn(-c4ccccc4)c3)cc2c1	2150499	YGDWQUAJPZHSAO-JJKQSNDFSA-N	580.859	6.585	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1	2328167	LDNOHWSBKXXGDY-STBIYBPSSA-N	520.058	5.927	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cn(-c2ccccc2)nc1-c1ccccc1	3251450	QRKCRRUDQIMXMZ-LGJNPRDNSA-N	540.215	5.534	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1cccc(Cl)c1Cl	8452615	ABXDBXLVZDWDFB-PNQUVVCRSA-N	669.303	5.330	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCCOc2ccc(C3CCCCC3)cc2)c(OC)c1	9272020	MFTBUCDRRHXCFT-PXLXIMEGSA-N	528.443	6.433	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1Br	20760342	NOHICSIWYQPOOF-KKMKTNMSSA-N	501.211	6.523	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1cccc(C)c1	59336526	VGAMFCULXKPAOK-HMAPJEAMSA-N	507.417	7.164	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1cccc(I)c1	59856223	RUODFZUJSMEISI-MWAVMZGNSA-N	609.489	5.841	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	97960719	AXEOXKHIFDDYSY-JAIQZWGSSA-N	678.264	6.281	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(F)cc1	97964231	SQSUDBMJRBGKJY-FLLGMRGPSA-N	594.643	5.431	50	40	KKGB	
O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl	98045814	YIZHAWKUTOKVQY-IPBVOBEMSA-N	671.202	6.316	50	40	KKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@H](c3ccc(OCc4ccc(Cl)cc4)cc3)CC(=O)N2C1	98048464	FAOJWJISMXAKGK-QHCPKHFHSA-N	536.484	7.100	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1	100038393	QJARPHLCBBIRFE-FDAWAROLSA-N	608.286	5.817	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccccc2F)cc1	100124024	HYBBRIYFNXYOAY-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
CCOc1cc([N+](=O)[O-])ccc1N=P(Nc1ccc(C)cc1C)(c1cccc2ccccc12)c1cccc2ccccc12	102935414	SAWLSTLGOGKAJQ-UHFFFAOYSA-N	585.644	9.428	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1	104174291	LLXUQYRQONCOHA-XLNRJJMWSA-N	524.602	6.708	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N/NC(=O)c5ccncc5)CC[C@@]43C)[C@@H]1CC/C2=N/NC(=O)c1ccncc1	118918537	LTANJFVUAIWDNA-MHHRVLFWSA-N	526.685	5.391	50	40	KKGB	
O=[P@]1(NC23CC4CC(CC(C4)C2)C3)OC(CCl)=N[C@@H]1c1ccc([C@@H]2N=C(CCl)O[P@@]2(=O)NC23CC4CC(CC(C4)C2)C3)cc1	150408918	KOGPCLWTOFOKSA-KLBKAEBKSA-N	679.566	8.522	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	150481157	CSFNSVBPADRTBE-RQXXSLPSSA-N	719.285	6.016	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1	408536707	ALTYITVDRHYRKP-KOEQRZSOSA-N	569.455	7.161	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1	408539976	LGNKVUIUFWVUTD-APTWKGOFSA-N	545.035	6.669	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)ccc1OCc1ccccc1	408540329	QDDICXRIMHFYOS-DLCNMLRHSA-N	717.252	8.295	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(F)cc1	408543140	PKPVIGHTKBOFBV-NVMNQCDNSA-N	572.330	5.262	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551669	FFYUNJITAPHONZ-BVMLUPFRSA-N	540.834	6.510	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc(Cl)cc2)cc1	408581065	UAFNNCSCOAWWGX-VXLYETTFSA-N	517.648	7.817	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408644118	GVTFMRUBAPNNMA-TURWBDFOSA-N	720.823	5.639	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccccc1Cl	408677808	VBBDEOZGTUNBCQ-MUFRIFMGSA-N	542.861	6.054	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408712049	XHOQIZMYQZCSPO-LJUMEUDFSA-N	596.319	7.035	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12	408719789	SDWVBWMODDLICW-MLHLUQNXSA-N	546.026	5.236	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2-c2ccccc2)cc1	408744230	XKWKFNICBYNBMP-PPOKSSTKSA-N	564.483	7.736	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(I)cc1	408744464	LHRKBWHZHRHCGY-ODLFYWEKSA-N	650.254	6.338	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)ccc1I	408747777	SURLFUMXJPPUQQ-LUOAPIJWSA-N	725.546	6.663	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408779719	IXDKZTLYIQAVIX-NDENLUEZSA-N	650.344	7.577	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccc2ccccc2c1	408788963	NKIQPXOETMIMCL-MFKUBSTISA-N	632.454	6.754	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408792343	AQKJECVTWPSJKT-UDWIEESQSA-N	525.388	6.303	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccc(I)cc1	408794835	TVVJWCJXSKYLHQ-UDWIEESQSA-N	661.290	6.364	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1cccc(F)c1	408796899	PRCFHYNAQDMZLI-UDWIEESQSA-N	509.375	6.420	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408804726	GYPKDZZQUCGOPF-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408810040	IBMBRHYPNRIVBH-UDWIEESQSA-N	507.804	7.925	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408814147	RSHGLTONQWVMCY-KYMQWJLESA-N	627.116	7.616	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408819965	SCZYQOJAONVLLF-MTJSOVHGSA-N	555.856	6.312	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)c1Cl	408820628	YYIUAVBPEFCPDO-NTCAYCPXSA-N	514.365	6.451	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2ccc(Cl)cc2C)cc1	408825589	BBKJVYJWWJMISL-NLCQWKJPSA-N	633.170	5.559	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cc(C)cc(C)c2)cc1	408828057	KUBNMMRLIMTDHK-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1cccc(C)c1	408828545	MYBLUBZRSCRKHW-MFKUBSTISA-N	709.378	8.074	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408834249	UCLVTARMUHXIIN-LPYMAVHISA-N	608.865	8.259	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1ccccc1	408840834	CCUXWHHHYRYXEJ-UZWMFBFFSA-N	521.573	5.629	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408858497	PLXPALKUJJPEBB-WKIKZPBSSA-N	523.339	5.245	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408861100	NCUALRUSFXJGDB-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c1	408861665	FGRXPARUCFCLGC-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2C)cc(Br)c1OCc1ccccc1Cl	408864504	WLJNDNQYKZZSDQ-XODNFHPESA-N	547.902	6.382	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408866313	DYVSVPVYZHCTDP-LICLKQGHSA-N	535.747	7.246	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)c1	408867334	IIJGHDJUDGFLCH-UFWORHAWSA-N	606.300	6.584	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Br	408868206	OETUEFHTSCSPSC-KGENOOAVSA-N	515.382	7.175	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c(OC)c1	408871245	WMZKPCFNUQVTIV-UFWORHAWSA-N	515.368	5.952	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cccc(C(F)(F)F)c2)cc1	408874086	YHJJMWYRGWNMJQ-QNVXDBMFSA-N	637.511	7.074	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(=O)(=O)c2ccccc2)cc1	408875263	IGQUSIFMKFQBMS-GZZLJNBRSA-N	570.671	5.073	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408876248	KJLXDNREIJJKLG-IZYHBKOJSA-N	719.485	7.560	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc(I)c1OCc1ccc(Br)cc1	408879424	GCKKAZSSOLCGIM-QFDQHJFZSA-N	778.250	7.153	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OCc1ccc(C)cc1	408881445	LDLODUYVUDKTMW-VXLYETTFSA-N	604.726	7.615	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OCc1ccc(C)cc1	408881882	OWRYIMZWPCOPIZ-GIJQJNRQSA-N	512.349	6.343	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1Br	408892302	AKYCLLFYZUXPOT-KPKJPENVSA-N	531.031	6.629	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1I	408905743	DFUVFCJQZVKGHB-AQHIEDMUSA-N	686.082	5.064	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccccc1F	408925206	QMESEMDKTUXCKK-VXLYETTFSA-N	539.357	5.810	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)c(OC)c1	408957273	TVPLMOZYDSLHNY-AEDYYIHTSA-N	780.470	6.673	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)c(F)c1	408964591	CVMTWDGUBJAPIC-FJEPWZHXSA-N	502.343	5.956	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408974103	XEUYWWIOEKKWFB-UVQKAKQTSA-N	623.331	5.418	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408978638	JOALBCODHRWABQ-CHWQPNJWSA-N	626.562	6.449	50	40	KKGB	
Cc1ccc(C)n1-c1sc2c(c1C(=O)N/N=C/c1cc(Br)c(Sc3ccccc3)o1)CCCC2	408998714	RZBFEDOJKBLTSG-RWPZCVJISA-N	554.535	7.305	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	409012467	IEDZOCYLHPFVIE-OWHNODLPSA-N	592.523	6.581	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409017808	QCKLWIQDDLERCT-NVJOKUIPSA-N	513.333	5.789	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(C)o5)(c5ccccc54)[C@@H]3C2=O)cc1	409031222	JIUWSFCVKDKVBF-OHXIEAONSA-N	559.622	5.343	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409047330	UBJMFBBWORRSAT-DLCNMLRHSA-N	605.319	8.314	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)Cc2ccccc2)c(C)c1	409145532	OKJQZRLEMYOPCJ-CCVNUDIWSA-N	518.466	5.260	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409153984	JKPOSQBRJJOTJQ-KLPHOBTLSA-N	583.350	5.127	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1	409191387	WXOUYNUYEXFTTL-KBKYJPHKSA-N	528.381	5.184	50	40	KKGB	
O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccc(Br)cc1	409227239	UPTWCLHYWFVMQL-MBTHVWNTSA-N	507.771	6.239	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409253744	YEGPIWJBAYVOEE-BKUYFWCQSA-N	547.995	5.397	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1OC	409309530	ITMFEVWLAQQHGE-MBTHVWNTSA-N	574.269	6.128	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OC	409312106	JZBBTMCZWWIKJT-LQNQUEJISA-N	553.453	6.073	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1OCC	409312156	JQZNVMMUFPMDQM-FDVSRXAVSA-N	590.312	6.660	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OC	409312553	MEQDAGWXCMZNJK-UHBFCERESA-N	538.000	5.012	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OCC	409323026	MDANFQVSYBQTHB-BVMLUPFRSA-N	610.332	7.295	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1OCC	409330444	AMJXIBFRCWWYPC-MWLSYYOVSA-N	529.406	6.119	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OC	409334706	MQGUVEHWGXHAOJ-UHBFCERESA-N	538.984	5.353	50	40	KKGB	
N#C/C(=C/c1cc(I)c(O)c(I)c1)c1ccc(Cl)cc1	409355548	CTGJVMOXMRYHID-WZUFQYTHSA-N	507.496	5.319	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)n1	409382500	NTYTVXXJUVUFGY-GIJQJNRQSA-N	515.205	5.851	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1ccc2ccccc2c1	409386812	SCSLGJBSBCFHHM-WCMJOSRZSA-N	651.482	7.309	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OCc1ccc(Br)cc1	409392908	UAWNKSLZWXNDJQ-OKCVXOCRSA-N	518.411	5.752	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409394453	APDSWQYNCHZQND-UHFFFAOYSA-N	538.003	6.870	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409394995	IODXFIJBVLRSTR-UHFFFAOYSA-N	754.184	9.669	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396404	PHXPCFGQURCJPJ-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396521	VFDYBLBFEDYKJL-UHFFFAOYSA-N	571.555	7.236	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409396736	AOEVZCKZADRYIW-UHFFFAOYSA-N	614.054	6.506	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)c1	409397330	ITQZORGJRZLXTO-UHFFFAOYSA-N	615.427	6.431	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397514	KRESGJPQUAEQQG-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409404207	PIWSJIVQMBWZKD-HHGZQQQNSA-N	642.934	6.776	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)N1CCOCC1	409404793	RATAOFGSEBYCIY-QMRORBIVSA-N	744.437	5.801	50	40	KKGB	
Cc1ccc(NC(=O)NNC(=O)C2=CSC3=NN=C(c4ccc5ccccc5c4)C=C(C(F)(F)F)N23)cc1	704262	TVMKQXVJQXHPFG-UHFFFAOYSA-N	536.539	5.411	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	1277385	CHTDZQSJRFCASQ-LJAQVGFWSA-N	550.709	6.916	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1	1874437	ACUHYTAHWAMNEE-MZJWZYIUSA-N	556.873	5.601	50	40	KKGB	
COc1ccc(-c2nc(Nc3ccccc3)sc2CCC(=O)N/N=C/c2ccc(Br)cc2)cc1	2141067	MBOLNXNVHDLBHZ-OGLMXYFKSA-N	535.467	6.408	50	40	KKGB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	3224905	SMCHAQVBLXQDHS-ODQASSKESA-N	587.989	6.930	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	3231365	SHSXQHXRNQZBJT-UDWIEESQSA-N	571.383	6.074	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667570	NDXGSENJDQJTRX-XMMPIXPASA-N	533.669	6.274	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)cc1	6445756	YKFAOLVKJRXJML-JCTDHXFVSA-N	560.857	7.304	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1	59333377	BYSKBZWULNWAQK-QJOMJCCJSA-N	502.412	5.284	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1	97959582	ASSCCUDTPOQNDJ-APTWKGOFSA-N	537.019	6.652	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I	97960885	KKSSSGSIUKOIHM-BIZUNTBRSA-N	587.417	5.128	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	97964246	CZWRXFNKOVIGNH-GBQYTKFXSA-N	601.490	6.200	50	40	KKGB	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1	97982487	KOHDIFMKHXSXMA-IUZFBFHQSA-N	536.338	5.196	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125429	DHSFAXWOJOCATH-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(OCc2ccc(Cl)cc2)c1	100534879	YMCPYSINARQQMX-JEPNHJGPSA-N	567.089	6.384	50	40	KKGB	
Cc1cc(O[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)nc(S[C@H](NC(=O)C(C)(C)C)C(Cl)Cl)n1	101164236	BWSZVTLKOKGQJQ-WFASDCNBSA-N	568.782	5.407	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1Cl	102528358	KTZVUKSACJJBFB-DEOSSOPVSA-N	526.489	7.579	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)N2)cc1	102807523	GQRNOHBLIPVESJ-RUZDIDTESA-N	553.562	6.258	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccc(C)cc1	102932791	AXQRZWZDMYHOSF-GIJQJNRQSA-N	585.354	5.347	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccc(F)cc1	103754361	SDOMVKWBYMOBFS-FMFFXOCNSA-N	547.615	6.659	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Br)cc1	103882663	ZCYPFNQMYHMEFI-MOHJPFBDSA-N	546.465	5.683	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(I)cc2)c1)c1ccccc1Br	104402125	POPOMVHACIHDJE-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c(C(=O)OCC)c1C	108161332	GGUFLWFABINHMK-HYARGMPZSA-N	561.612	5.406	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(=O)c5ccccc5)CC[C@H]4[C@@H]3C[C@@H](Br)[C@]2(O)C1	118912425	TZBBEXALLZOART-IGDIPIFLSA-N	533.503	5.675	50	40	KKGB	
CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341347	VGGWEDNADXOLKW-MRVPVSSYSA-N	958.216	12.972	50	40	KKGB	
O=[P@@](OCc1ccccc1)(N(CCCl)CCCl)N1CCN([P@@](=O)(OCc2ccccc2)N(CCCl)CCCl)CC1	150366935	RYXBFYDAKXJMSU-LQDDJWCHSA-N	674.374	6.813	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	150464221	PNPCHSAREDDSLK-WKULSOCRSA-N	628.019	5.079	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2ccc(I)cc2)cc1	198305406	QKCZOEJZDMAAIQ-NJZRLIGZSA-N	639.515	5.849	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	408540314	PWSXEQVSMKRSST-WKIKZPBSSA-N	550.213	6.953	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408540591	AFIAUBJYYFGFOZ-WCMJOSRZSA-N	645.348	5.895	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(C(=O)O)cc1	408541682	HEDRLRFOMKVXBU-IDUWFGFVSA-N	582.075	7.860	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408551048	JEBDUZMTCHIDBO-LDADJPATSA-N	540.403	5.964	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551567	NRARUNFMOMLDAZ-WSDLNYQXSA-N	558.490	8.083	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	408569663	PGERCRFWQBNHKL-VFLNYLIXSA-N	551.492	6.719	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1Cl	408587740	UFBWCPIMXBGANT-NVMNQCDNSA-N	584.668	8.293	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408658093	UVFDDKFUCWRLLR-UEXGIBASSA-N	554.257	5.836	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408711856	NSSYFVUFIFWVQL-DBFSUHOCSA-N	615.149	7.189	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)COc3ccc(Br)cc3)c2-c2ccccc2)cc1	408742392	ORLXHVUZTZBJGB-FADJLKOXSA-N	594.509	7.502	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408743934	IKSDAPVABLHGOS-MFOYZWKCSA-N	625.144	8.042	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408753050	LAMMVBXGZCCNTR-MFOYZWKCSA-N	502.195	6.881	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408758007	FOQDFJLTOPBRLO-OEAKJJBVSA-N	634.324	7.666	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)cc1	408762531	OUSLDUQORJPXRI-QXPVHXGPSA-N	607.732	6.364	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2cccc(Cl)c2C)cc1	408784087	RFBKTYMTQFNMRH-BIZUNTBRSA-N	576.074	5.522	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1	408789372	PIRFHKFGKPGKQG-VCHYOVAHSA-N	515.780	6.558	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408790747	YETWVNIBRKUZQE-VZUCSPMQSA-N	566.020	6.305	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl	408791015	SLDSPRNUSUGWPV-GZTJUZNOSA-N	512.747	6.135	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1cccc(C)c1	408791543	YKTMDTZYSWJYKV-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408794032	REQNVDZAROFRHI-LICLKQGHSA-N	523.299	5.390	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408797878	UDIMDRVLYVOFFA-GIDUJCDVSA-N	510.179	7.564	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccccc1F	408813168	PTVRHPYHNJSMPD-SXGWCWSVSA-N	642.181	6.299	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408831340	PFTINTKPHZEVFS-ZVHZXABRSA-N	662.924	8.113	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)NCc3cccnc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408833936	XJBFPXNGDSSQAM-IWIPYMOSSA-N	561.063	5.251	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408838241	TXOQCZMZCDJHHJ-MWBNBJEGSA-N	721.457	7.088	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc(F)c5)c(Cl)c4)cc3)cs2)cc1	408840707	DECABUVIAKKODW-KVAAJVFYSA-N	571.077	7.998	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccc(Br)cc3/C=N/NC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)sc2c1	408843079	LMXWODDAYIGDLV-AABVJFSESA-N	691.947	7.769	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	408845043	XSFABCKEUMOKID-LZOGPRKMSA-N	639.561	5.595	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408845132	OTXGDWMKKTXYBI-PTEHHBOZSA-N	657.362	8.750	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408860124	VYTQULBSQDKJIW-MQCSSTEZSA-N	603.959	6.262	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408863077	OXSGLWCIJAXJND-KULFSUQXSA-N	751.483	7.015	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2)cc1	408863404	MMGXTCPUQGBHCC-QXUDOOCXSA-N	602.688	5.312	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	408864627	YPRPVNQDQRZRRS-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1Cc1ccccc1Cl	408870659	WHKLWWDKCHGUQR-LICLKQGHSA-N	607.673	6.852	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1Br	408879908	HRHYMSVJWHKBBT-HNSNBQBZSA-N	636.568	5.999	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1	408884086	SNBRJXAWNOKFOH-DPNNOFEESA-N	609.079	5.151	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1	408886581	KOWRGIIKQQVJHK-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408888932	CWUARGBSRJEVFP-GIDUJCDVSA-N	524.276	6.019	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	408889504	DGLVAZKXRJYBOP-LZYBPNLTSA-N	522.215	7.433	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OCc1ccccc1Cl	408889801	HFGSUXXIROBVGC-RPPGKUMJSA-N	646.650	5.901	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408893094	FFHJHFMSQPVDIK-QXUDOOCXSA-N	575.706	6.956	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OCc1ccccc1C	408921790	BZDWMCCFXWZGRI-YBFXNURJSA-N	515.824	7.479	50	40	KKGB	
O=C(N/N=C/c1cccc(OC(=O)c2ccccc2F)c1)c1ccc(OCc2ccccc2Cl)cc1	408947785	BIICIRPXLYAXBB-KBVAKVRCSA-N	502.929	6.041	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C#N)cc3)c(I)c2)c(OC)c1	408956508	QPFZUWNKJQPFMX-DBXYLJAYSA-N	802.420	5.233	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c[nH]c2ccccc12	408970640	JNTJHCVQIXKUFM-JQCATCEESA-N	523.420	5.120	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408971087	LVCYGCHSWFUAMR-QWVXJYIGSA-N	624.952	6.871	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408972290	QTZOEWBEXWXMRQ-TVFAWNEUSA-N	782.346	8.686	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12	409024258	IRDDBFSWNBDIOR-LQKURTRISA-N	512.418	5.492	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	409060213	YLEUYVBGFJZGSQ-GIJQJNRQSA-N	560.673	7.298	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)Cc2c(Cl)cccc2Cl)cc1	409062083	NCXAEISDBBKSTP-OKCVXOCRSA-N	540.472	5.796	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409064734	FPZPUXYZCJKZNY-GZTJUZNOSA-N	504.789	5.943	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409084960	NMGDRANQKNSMCT-OVCLIPMQSA-N	668.322	6.863	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1cccc2ccccc12	409126719	FPBADSNYEDVDQA-MHZLTWQESA-N	590.417	6.346	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c2cccc(Cl)c2)cc1	409147876	WSNHRVDKYHHYOJ-DPNNOFEESA-N	628.534	5.935	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409184134	FJHFDZZCFKVVCK-FMFFXOCNSA-N	571.699	5.545	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	409185603	NFEPNJKIWMAOEP-WKULSOCRSA-N	564.491	5.196	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccc(Cl)cc4)cc3Br)cc2c1	409186377	BDHYMZLZIHSQOR-NUJZUDFISA-N	557.828	6.599	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)cc2c1	409190262	QYMNWWNSJAQUKB-YNFMAFFXSA-N	639.273	7.094	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Sc3n[nH]c(-c4ccc(Cl)cc4Cl)n3)c([N+](=O)[O-])c2)c1	409192495	XYVHZNLMGOMCCQ-LICLKQGHSA-N	565.442	7.000	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Br)cc1	409194230	PKVIAAVHJCJIIS-KBKYJPHKSA-N	566.633	5.906	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc2ccccc2c1	409208216	ARECOJKDBYRMKP-WCMJOSRZSA-N	630.935	7.318	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409219474	NAYVXHKOTZCRMA-WOJGMQOQSA-N	601.828	5.825	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1cccc(C(F)(F)F)c1	409221575	SEFYLKQQSAHBRA-XYOKQWHBSA-N	506.234	6.182	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1	409224256	JMTBVIJLCCQIHF-QGOAFFKASA-N	510.377	5.955	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccccc2)cc1	409225496	QGKRCLABQMMYIE-DLCNMLRHSA-N	565.935	6.594	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1ccccc1	409250250	WQVRUHBDHBTLPI-IWEBCOIVSA-N	577.249	6.961	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	409258550	UPDWCYXGSUJENS-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1OC	409327844	XBOGQGUZJUKWSF-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc(F)c2)c(I)c1	409373087	LDTMUZUEYITIFB-WKULSOCRSA-N	554.359	5.935	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2C(F)(F)F)C2CCCCC2)c(C)c1	409373701	YBIOHFCPIOBWSA-FDVSRXAVSA-N	509.594	5.104	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409375499	LQJJREUGSGFYAG-NVMNQCDNSA-N	657.677	6.224	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccccc1F	409380668	AQQRPZCADOFYMK-WOJGMQOQSA-N	538.373	5.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1F	409380762	AHKGMYYCYBWKMF-UDWIEESQSA-N	521.976	6.058	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409387200	UQVHSSMNFAROHR-XODNFHPESA-N	597.447	5.670	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1	409395589	PLNXMFVJJWCREU-UHFFFAOYSA-N	502.574	5.884	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409400272	NMYGEIKXPKIQMW-AEVGBRMKSA-N	645.087	6.849	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Cl)c(Cl)c1	409400665	DYACIUYJBBUCCZ-UHFFFAOYSA-N	697.413	8.687	50	40	KKGB	
CCNC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)CC2	504419190	RZRQJICXYQPEQJ-CYKDSWDBSA-N	518.742	6.342	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1	1529547146	JDXCOKLAQWBSAL-XINRNAFCSA-N	781.442	5.657	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1	1529548015	VLLXDJLKGPPFGX-MKEMXLLOSA-N	689.991	5.706	50	40	KKGB	
Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(Cl)cc2)C1=O	1790495	RNZWEIKYBFWLKG-UZEPBSNMSA-N	502.039	5.434	50	40	KKGB	
Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)c1	1790507	HUZSWTMLNSBSTB-IEQIIXMPSA-N	502.039	5.434	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Br)s3)nnc2-c2ccc(Cl)cc2)cc1	1875302	JXLMPEFRSRMQDQ-LGJNPRDNSA-N	576.929	6.053	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccco1	2201122	ZDKSKEWWRQYASY-XMMPIXPASA-N	534.037	6.010	50	40	KKGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1	3087347	UACVTEXOYDZJKM-FCFFNXBQSA-N	505.530	5.270	50	40	KKGB	
C=CCNc1sc(C(=O)/C(C#N)=C2/Nc3ccccc3S2)c(N)c1C(=O)Nc1ccc(Cl)cc1	6054234	ILFHJTOIOKHEGR-HAHDFKILSA-N	508.028	5.970	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Br)cc1)N2	6074176	ZOQLLVCOPXRYKP-GGJIVPGBSA-N	557.897	7.599	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1	8812125	GGMMCBYYZUAJGU-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(Br)cc(Br)c1O	9905862	FDTFHDPKYGIFBC-MSXFZWOLSA-N	504.178	5.113	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	13175314	QTWGEWCVFUBOFU-VWLOTQADSA-N	522.070	6.176	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	13941000	AGAOWVVXHIKASH-PKAZHMFMSA-N	521.002	5.437	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1	20197389	KDOAMECMQRSJCI-OGLMXYFKSA-N	511.416	5.980	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	97946425	SMFJWVIQGMXRDS-LHLOQNFPSA-N	575.068	7.716	50	40	KKGB	
Cc1cc(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccs2)c(C)n1-c1ccc(OC(F)F)cc1	97980683	ZZUQXEWAVOKBBZ-LTGZKZEYSA-N	540.595	7.400	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1	100065282	CSJABEBRAWFZKJ-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
Cc1ccc(C2=NN(c3ccc(/C=N\NC(=O)c4ccccc4[N+](=O)[O-])cc3)[C@H](c3ccc(Cl)cc3)C2)cc1	100136050	XSQSMPFLAWOBLI-LLQGPRFRSA-N	538.007	6.676	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100989371	KEBDJMOKMMCQAI-YDYXIROLSA-N	536.426	5.962	50	40	KKGB	
CCc1c/c(=N\NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3	101344928	CDMIRRJXRZLJEW-GDASAHDDSA-N	545.680	6.221	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	102578388	SOGKXUQGWAKFCZ-BPZKWCIASA-N	546.580	6.245	50	40	KKGB	
COc1ccc(-n2c(C)cc(C3=CS/C(=C(/C#N)c4nc5ccccc5s4)N3c3cccc(OC)c3)c2C)cc1	102924507	AOISTZFZTOYJNB-MXNGAVTRSA-N	562.720	8.165	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Br)cc1	104951968	XPTBSLUHGKEOMF-XDHOZWIPSA-N	548.462	6.394	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795328	HSLOFXFGTDTISS-RKDXNWHRSA-N	816.087	10.261	50	40	KKGB	
FC(F)(F)C[C@H](I)CCCCCC[C@@H](I)CC(F)(F)F	169795334	SBBQQLOPFDGEIK-NXEZZACHSA-N	530.072	6.839	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408542062	JUQDSQHMNMBGOP-LSCVHKIXSA-N	590.257	6.977	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c(C#N)c1C	408546342	HJKZECBTKFBIBE-GIJQJNRQSA-N	573.885	7.363	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(F)cc1	408570168	SIJSVQATKDKGFU-RWPZCVJISA-N	512.628	5.421	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	408579867	KUWQFMLRCNBECU-SFQUDFHCSA-N	504.789	5.943	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	408611695	RRITWSXESIYEGH-ORBVJSQLSA-N	545.637	6.621	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408640151	HMJZKKNRWBZRAU-ZRNYENFQSA-N	727.189	5.968	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408647220	UUMSXRPAZNLMGO-HNNXBMFYSA-N	865.809	9.231	50	40	KKGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC	408727216	XUBKPXXPDZHBPY-WJDWOHSUSA-N	506.340	5.033	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1Cl	408734528	HKUHHEULRIKOTA-KEBDBYFISA-N	506.787	6.407	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(Br)c3)c2-c2ccccc2)cc1	408742966	QVKABRIITRMBFU-PPOKSSTKSA-N	564.483	7.736	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c1	408745739	ORIBYEHTBBVACI-IUXPMGMMSA-N	580.693	7.933	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Br)cc1	408747168	JWSOHUYEHSUFBV-YVLHZVERSA-N	621.123	7.107	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CSc5ccccc5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751508	QYMSMUWXOQSYHJ-KKCABIDVSA-N	559.735	7.968	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408759022	WPKFEBRQDMDAKL-MOSHPQCFSA-N	558.392	6.498	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1	408778628	JBZRTMHGDXNEQM-APSNUPSMSA-N	537.885	7.068	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408788312	JNKYOYROVWWNSZ-CAOOACKPSA-N	516.768	6.988	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408789232	HRUSVCYOOSBCDA-FYJGNVAPSA-N	550.409	6.443	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Cl	408796714	OVVSEAXWMKKXBE-VCHYOVAHSA-N	501.797	7.170	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2ccc(Cl)cc2Cl)c1	408812668	PFLDNJGPVSLGOW-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408819597	XYGJSJJWKAXNPI-HYARGMPZSA-N	631.308	6.297	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408822071	AHLMHMMWCQRZPI-HYARGMPZSA-N	687.215	9.222	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccccc3/C=N/NC(=O)c3ccc(NC(=O)Cc4ccccc4)cc3)sc2c1	408840065	ASVKQHCSRGAHOH-ALQBTCKLSA-N	582.081	7.027	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC	408853872	YWNATZSXVNTACF-MSXFZWOLSA-N	569.193	5.527	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccc(C)c(C)c2)cc1	408859304	SGZVLAPWPLFTMZ-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1cccc(C(=O)O)c1	408859541	XYDAKRWEAOCBLW-UUYOSTAYSA-N	574.431	5.482	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)cc1C	408863751	PQCOZIRLBXJHJZ-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1Cc1cccc(F)c1	408864916	AZUDRHYOOCWNBL-GIJQJNRQSA-N	513.794	6.695	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1Cc1ccccc1F	408864968	BIJBLDNUATUZSN-XDHOZWIPSA-N	509.375	6.132	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cc1ccccc1Br	408868030	NENPJWIHTWPQMX-YBFXNURJSA-N	515.329	6.613	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1Cc1ccccc1Cl	408877588	VXRYJNDJSARFTJ-BUVRLJJBSA-N	634.901	7.669	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1c(Cl)cccc1Cl	408894079	ITBNZFLGKKTDDE-MWBNBJEGSA-N	585.572	7.965	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)ccc1Br	408904083	DLSYIJYFHYLSKR-LGUSAWBASA-N	576.105	8.106	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)cc1	408942901	LLTWFUJBHJAXAR-IDWIKUEFSA-N	552.634	6.918	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)c(OC)c1	408948228	CJQSNZBNEZYXJE-VOSMKULASA-N	720.404	6.064	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(I)cc1	408948344	FNYWDQOYJKMWEX-MTJSOVHGSA-N	611.867	6.279	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408949247	FEFOHTSYKWBVFI-CWUDWNJOSA-N	693.161	6.514	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)c(OC)c1	408955023	OCCWGIMWDSQCFE-ZHOFXBFXSA-N	683.737	5.541	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)cc1	408963760	PAOQHYQCIATVTH-VVEOGCPPSA-N	555.778	6.863	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccc(Br)cc1	408964215	CAUVFTWCDGQXOL-VFLNYLIXSA-N	575.232	5.964	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)C(N)=O	408993505	VVOHXRMSTXIADZ-NTEUORMPSA-N	535.994	5.654	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1	409005725	KHFLPCDAHFWVRE-VMWSCHNCSA-N	524.960	5.942	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccccc2)cc1	409006873	RNQNNKKFSGCAFK-YRHXZRGFSA-N	520.541	5.297	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1ccc(Cl)cc1Cl	409032721	MVQQRSCHYFNABM-HXCXGEGBSA-N	611.441	5.868	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409042198	BVGDEOORNDMGSP-CAOOACKPSA-N	548.618	7.416	50	40	KKGB	
CC(C)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409045241	IDZPOEGQRJMMTB-MKMNVTDBSA-N	546.181	6.811	50	40	KKGB	
O=C(N/N=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc12	409050727	ZAJMKJJJRGWSBR-YKQZZPSBSA-N	533.500	6.274	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	409065942	GKSCDJDMUAZNED-KCSSXMTESA-N	626.960	6.023	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1	409083456	VKMYLCOFAWZPEN-UVHMKAGCSA-N	549.796	5.094	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cccc(Cl)c2)cc1	409114018	PHUPTAYYXMMJAD-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2cccc(Cl)c2)cc1	409137364	WPJKURKMCLKNFT-XICOUIIWSA-N	614.123	6.426	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cccc(Cl)c2)cc1	409138686	GNNGDIITSAYRHS-KBVAKVRCSA-N	569.058	5.241	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccc(Cl)cc1	409139525	ATYFDRSNYZUIEK-HNSNBQBZSA-N	593.149	6.109	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F	409161971	XWWQQHRUYHIHQN-JJKQSNDFSA-N	641.828	5.626	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1	409164691	MEDFIVKEPMYCRM-KBVAKVRCSA-N	611.493	5.051	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1	409176032	XHEFUPGDSNOUQY-FDAWAROLSA-N	567.042	5.024	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl	409185940	SXXIXKMDTPFODV-XKJRVUDJSA-N	561.413	5.336	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)cc2c1	409186657	GCMOWYBYERCAQY-QDTIIGTASA-N	572.799	6.499	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409223130	HCPSNLDPYYOKJZ-MNBJERMJSA-N	556.962	5.413	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)c1	409253000	AHHZFGZAOLALRF-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409264996	NDUYJTIPFAMEDY-CDLBOOTPSA-N	688.637	8.657	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OC)c(OCC)c2)ccc1OCc1ccccc1	409302225	IDZRXTFWYLLSCG-NTFVMDSBSA-N	574.415	5.440	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1OC	409309542	IVCYYXYQNMOLFP-ZMFRSBBQSA-N	503.780	5.463	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OCC	409310891	XFFVPLIGDWPFHB-GXBUFBABSA-N	561.078	7.422	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OC	409311477	GGYYTLAGIXGSQL-MWLSYYOVSA-N	541.442	5.906	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)ccc1OCc1ccccc1	409319466	GULLMGVHFLKTNC-FZPRHHONSA-N	548.998	6.418	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OCC	409319949	ABIRPONXFXBOFY-MNBJERMJSA-N	616.496	6.529	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1OCc1ccccc1	409335884	PYYLORKBMFWFNR-FZPRHHONSA-N	565.453	6.933	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409361636	HRUFMDYWRVSNMQ-DBFSUHOCSA-N	537.827	5.944	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409371221	CYHQLTWBBOQVRA-GRSHGNNSSA-N	522.355	5.756	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=C(/C#N)c2ccc(I)cc2)cc1I	409372246	JXPUGBDMHRPNTM-AUWJEWJLSA-N	641.028	6.352	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	409372305	VHECNRWZRDDSFN-IUXPMGMMSA-N	642.618	7.101	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1F	409375110	FSYDTBYEDYCDAI-IZYHBKOJSA-N	644.128	7.526	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc2ccccc2c1	409385277	IWOFOSUJCHXUEQ-FJEPWZHXSA-N	546.004	6.968	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br	409385468	KQSAVOIPJBMVOM-UVHMKAGCSA-N	535.379	5.787	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409394879	GZDFYXKATFXSFG-UHFFFAOYSA-N	821.647	8.330	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)c1	409395831	SFBIOEVKWGITCX-UHFFFAOYSA-N	614.927	8.159	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)cc1	409396070	VYQUXFZWCBIGOD-UHFFFAOYSA-N	675.377	7.968	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397233	HQUCRGOZOSKTNJ-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397785	OAKFCKOEMFJXDV-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409399337	ZQQNKPJCHODPJL-UHFFFAOYSA-N	660.952	7.950	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3cccc(C(=O)O)c3)o2)cc1	409402229	JFVKCKMNCMYGBT-QMRORBIVSA-N	643.052	6.869	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1O[C@H](C)C(=O)OC	409402367	JXDORNIBNPNOQF-IUIVBBIGSA-N	585.657	5.707	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OC(C)(C)C	409403313	ZKDDIVSXBGDHGS-KYHGBAKBSA-N	550.055	6.869	50	40	KKGB	
Cc1cccc(COc2ccccc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	409404610	QKTMDIYZSOLMGA-GXBUFBABSA-N	533.628	6.917	50	40	KKGB	
CC[C@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409405701	USQCEGIAVPUGRS-KWMKVIAQSA-N	560.607	6.124	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409406642	XJSALPDRGFMCCW-HHGZQQQNSA-N	781.385	6.570	50	40	KKGB	
COc1cc(F)c(Oc2ccccc2)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409409057	MIYDKNCVBIAHKV-FZKWRIDDSA-N	553.590	6.970	50	40	KKGB	
CCNC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2	504419253	RZRQJICXYQPEQJ-LCROJOIOSA-N	518.742	6.342	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2ccc(C(=O)OCC)cc2)c2ccccc12	1529549373	XIWZFWBKDHTAET-MPZKYCQLSA-N	667.788	5.060	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)c(Cl)nc2c1	853140	KACUWYOZYFOQBA-OKCVXOCRSA-N	551.068	5.244	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1901144	AKGUBDZGYBJIFJ-OKCVXOCRSA-N	563.083	6.344	50	40	KKGB	
C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1c[nH]c2ccccc12	2096839	YGOOLWXWURIIAW-LAVOGLJOSA-N	545.672	6.145	50	40	KKGB	
CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CCCC2	2357868	GBLIMZNIDOFZOY-LFIBNONCSA-N	539.997	6.559	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3C)NC(C)=C2C(=O)Nc2ccccc2)cc1	2591612	KWKRCHBERKSLDZ-SSEXGKCCSA-N	552.700	6.409	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccccc3F)cc2)sc2c1CC[C@@H](C)C2	6167152	BVPUAGOTBAZPCA-IAQOLKQXSA-N	551.640	5.359	50	40	KKGB	
Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccccc3OCc3ccc(Br)cc3)cc2)n1	8781363	VJAFYMQPRIDOGE-MUFRIFMGSA-N	517.427	5.654	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1ccc(Br)cc1	9693417	GGOZJCJJCDYWKY-KRWDZBQOSA-N	505.235	5.431	50	40	KKGB	
CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nnc4n3CCCCC4)ccc21	12558534	BHHVRMXFSLDBBX-LYBHJNIJSA-N	523.644	7.049	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	13757598	KZLVVTOHMYILMN-UZLGTAQGSA-N	519.736	7.738	50	40	KKGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(-c3ccc(Br)cc3)o2)c(Br)c1	20103160	NVEMGFKTKJGSRB-MYKKPKGFSA-N	506.194	5.618	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)cc1C	20243764	JNINPLIJOMBTPT-WCNLIYRBSA-N	518.908	6.758	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccccc1Br	28350568	PXUULRBAZOSJJY-ZMFRSBBQSA-N	513.848	5.743	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)ccc1OCc1c(Cl)cccc1Cl	32703889	KGRSOMYWAXKENA-FHLULROKSA-N	521.828	6.460	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	34746229	AOAJCOWTUAOFQD-UYRXBGFRSA-N	518.495	6.121	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1cc(-c2ccccn2)nc2ccccc12	53388255	LCCLKLWZWALUKL-ZSNJKBEMSA-N	562.589	6.020	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	59117294	ZOGIZUJHIIMAIU-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
CCn1c2ccccc2c2cc(NP(=Nc3ccccc3)(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc21	96022201	KSQKTURYPKGLKU-UHFFFAOYSA-N	643.363	9.850	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc3sc4c(c3c2=O)CCCC4)cc1	97939508	UFPAIDVZWQFDDB-QDTIIGTASA-N	568.080	5.438	50	40	KKGB	
O=C(Nc1nnc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)s1)c1cccc(C(F)(F)F)c1	100406456	KZQUGOZMDNOEQK-KANFNMMFSA-N	569.472	5.938	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(OC)cc3)nnc2-c2ccc(Cl)cc2)cc1	100853375	NTSOZJZHOZAKKF-MIXAMLLLSA-N	536.057	5.628	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	100956113	WHFMGSAXIBIGSA-VTNSRFBWSA-N	583.085	5.549	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1	101712950	UUKLPOIKWDLYDA-SXGWCWSVSA-N	525.184	5.064	50	40	KKGB	
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC[C@@H]1O[C@H](C(F)(F)F)CO[C@@H]1C(F)(F)F	101748166	RZEXCUSSDZJJHD-ACZMJKKPSA-N	562.216	6.107	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1cccs1	102719460	DKXSDRLIJOTIFN-RUZDIDTESA-N	551.093	6.117	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1Cl	105069352	UILMEFJVSNEJPD-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	107747908	HCPFCNOHUWUJOI-MSXFZWOLSA-N	533.176	5.463	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\Nc2nnc(N/N=C\c3ccc(N(CCCl)CCCl)cc3)c3ccccc23)cc1	150375004	CAMLFZBPGVUOEP-XEMPJQOTSA-N	646.454	7.090	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	150405824	RBOJKIVZZAYPPP-KBKYJPHKSA-N	676.090	5.583	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)cc(I)c2O)c(C(=O)OCC)c1C	150619971	HSJYZVUVSOIJNE-AWNIVKPZSA-N	632.270	5.201	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	162430712	MWORBRBZSVJBAO-VBAOPZSKSA-N	639.561	5.595	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@@H]3ON=C(c4ccc(Cl)cc4)[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	169811323	TVEXPMZTLXPLLA-PJKYWEIRSA-N	648.079	7.474	50	40	KKGB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc(SC#N)c(Cl)c1Cl	408526346	BBABFJLIZQSNGH-JYRVWZFOSA-N	510.244	6.664	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccccc1Cl	408540616	AJXULAAQDPCNQV-GRSHGNNSSA-N	511.361	6.215	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc2ccccc2c1	408547950	BAMPWMKXHCWDDP-QRVIBDJDSA-N	532.337	6.996	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408549886	AXFKQFJGHGUERO-CFRMEGHHSA-N	529.390	7.552	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408552460	IQNGEALHIYRGIX-OEAKJJBVSA-N	568.655	6.659	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1nc2ccc(F)cc2[nH]1	408570975	ZYRCRAPTRXGTLT-RZNTYIFUSA-N	690.081	7.861	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1	408606955	BHRIKSGSXZUGJC-OKCVXOCRSA-N	544.435	5.849	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	408608547	HPIZBEFNSHGVTI-UXHLAJHPSA-N	524.017	5.585	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408728473	NCOOMBFGWUDGRM-UZWMFBFFSA-N	562.091	6.207	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(I)c(OCc2ccccc2)c(I)c1	408743783	VFHCUKDWJOXOSY-LSCVHKIXSA-N	656.265	6.483	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(C)c3)c(I)c2)cc1	408744259	JVPLAHVUDGKDME-NDENLUEZSA-N	664.281	6.728	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccc(I)cc1	408778324	DMSZWKWKFRIKNK-YVLHZVERSA-N	579.221	6.731	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(Br)c(Br)c1O	408783264	LWXKMFCLHQQXPI-QPEQYQDCSA-N	510.182	5.259	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(O)cc1	408788394	CRJYVBLHDHKIKE-LZYBPNLTSA-N	593.190	6.023	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789776	LGFBCIZPNUKLIL-LFVJCYFKSA-N	552.461	8.121	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408797071	QZZSLTWMVDKEDW-RQZCQDPDSA-N	591.245	7.187	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408803968	BIDPAPLHTSYNNK-KOEQRZSOSA-N	520.585	6.458	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(Cl)c1	408805860	LVWWFBPSOXCLIL-GIJQJNRQSA-N	556.800	6.534	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408806151	APMKJGBOFHZCRR-CIAFOILYSA-N	517.412	7.588	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1	408810337	KHXQKHQGOBKJPW-ONUIUJJFSA-N	570.487	6.668	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408819310	PWQDSQZXEUFCNW-OCKHKDLRSA-N	531.823	6.466	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4)cc3)cc2)cc1C	408823979	HEQUROQABHZQJC-OVVQPSECSA-N	523.032	7.661	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(C)cc2)cc1	408838160	SBKHFULCWQNZHX-HNSNBQBZSA-N	637.183	5.733	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408839483	SZQOQNWAXUZRNT-UHFFFAOYSA-N	573.812	5.553	50	40	KKGB	
Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408839621	BIFLBPJPMZYZDB-LPEPFOFCSA-N	630.941	6.351	50	40	KKGB	
CCOc1ccc(NC(=O)N/N=C/c2cc(OCC)c(OCc3ccc(F)cc3)cc2Br)cc1	408844413	IHVQUJDHAWQCCD-RWPZCVJISA-N	530.394	6.120	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1F	408849715	YMOADUWIOTVUSB-FDVSRXAVSA-N	507.359	6.406	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(F)cc1	408852171	CTBSWMFDDUHWEK-IPHFVPNQSA-N	533.603	6.943	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(C)c(C)c2)cc1	408861099	NAFXPFSFHMZDKU-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccccc2Cl)cc1	408869393	CTHLMZHLFHIWFI-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408869903	SRXVYTQSWRIQNT-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1Cc1ccccc1Br	408871095	YBTZYYQWOAFXJF-RQZCQDPDSA-N	526.774	6.156	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccc(Cl)cc2)cc1	408874742	GDNXLXKHJXNVOG-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408879641	DIPOBHYVZCBUJQ-HLKBTTBXSA-N	619.231	6.519	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1	408884359	WUNRDUTYBSBOLL-WOJGMQOQSA-N	501.391	5.924	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408896088	MSXXRMAPNGWHPL-HMMYKYKNSA-N	529.530	5.070	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC(=O)c1ccc(OC)cc1	408900519	VSVXSSGOLMIDFD-LICLKQGHSA-N	590.257	6.928	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904635	MMZMNOLGAYUWFB-BCHBDCPOSA-N	563.191	6.753	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	408925956	VGCVCYNIMWTPBN-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408949250	FEFOHTSYKWBVFI-QCHBRLADSA-N	693.161	6.514	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408952565	OIJGUQUUGIZVQG-BKUYFWCQSA-N	605.464	5.752	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)OCC)cc3)c(I)c2)c(OC)c1	408958378	YFCRUHPZZFSSNQ-LDKHFMKXSA-N	849.473	5.538	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)c(OC)c1	408958691	ZXLIHBHRSSTZCX-OLDUKCEXSA-N	760.436	5.528	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccccc1F	408960380	FKQGBEOHHQGIGX-KKMKTNMSSA-N	542.317	5.594	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408963775	PFUUCHAATGYWER-KNBZMSCYSA-N	623.196	6.968	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408969729	SNHHNLDPTOVQLS-IDLLOIOHSA-N	640.995	7.828	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408971347	IPOAHRNZQZUWBY-CPYHBHQHSA-N	573.315	5.603	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1Cl	408984550	RVGNSDCCIRNHQM-IUXPMGMMSA-N	550.667	7.842	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408986091	ZMWNPWURAIRCCY-APSNUPSMSA-N	723.563	8.289	50	40	KKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Cl	409019537	JQNPXPUTBIZHJV-LIMNOBDPSA-N	582.019	6.269	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccc(Br)cc1	409022364	LPSPGUVBEDELGQ-DBFSUHOCSA-N	606.698	7.353	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	409028637	OVDARENXPXLKMZ-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccc(F)cc1	409037998	OHQDCHRNZGTUBB-MWBNBJEGSA-N	692.554	8.039	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409041915	KWKCMZAKXSLWKC-LZYBPNLTSA-N	547.192	6.789	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409050072	ZXGMRQAJTFTYKH-LZYBPNLTSA-N	525.741	7.790	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409063862	DZSYQHPPHNDCPW-SFQUDFHCSA-N	608.841	5.657	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409067957	RQTLRJBWLMABMD-OQLLNIDSSA-N	582.259	6.078	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409083889	WOLXEHRJFNLZOG-XDHOZWIPSA-N	502.439	6.005	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C2=C1CC(C)(C)CC2=O	409136961	VSQCXMONGFRBMD-XMMPIXPASA-N	684.256	7.480	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)[C@H](O)c1ccccc1	409147492	WVQDEVFGMNXQCK-OXXNZWAESA-N	596.470	5.380	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1	409150973	FOUMAMMJWBEOJM-IPBVOBEMSA-N	598.668	5.516	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)c(Br)c1	409153061	GVEZDYRJIQDNNN-SKNMYQCBSA-N	553.240	5.358	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409153332	HSXZABXNEFDRFR-FJEPWZHXSA-N	557.434	5.061	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)cc1	409159992	OUOYYNXMRRGFQR-PUHLOBNQSA-N	574.987	5.266	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OC)c3)cc2c1	409184771	NHIJBXPBRDEAHW-FDVSRXAVSA-N	521.957	5.275	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1I	409186930	JTNALYRFSQRVFN-MSXFZWOLSA-N	569.193	5.527	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC	409210835	LDLUQUUKMDTOLP-HJQVIKLGSA-N	532.831	5.373	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c2)cc1OCC	409224507	MABGDVAEQLOWPN-UHFFFAOYSA-N	699.352	6.837	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccccc3)c2)c1	409226215	PVJXDIFZZQKEJE-IZQAFTORSA-N	519.557	5.330	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409258061	SXSMNWJMPJVJSF-UNOMPAQXSA-N	568.413	5.742	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409259435	ZNQLDIRBUHVEQE-MFOYZWKCSA-N	636.273	6.478	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)c1	409262295	GOWBKOYDNUWMKG-WKIKZPBSSA-N	530.806	5.201	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)cc1Cl	409268611	WOJXKXLUFUFPOJ-HTVDVWKISA-N	665.002	8.604	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OCC	409321502	GPACUBWMWOANNN-ZMGVVAQMSA-N	632.939	6.388	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409322017	KHQMQSOKWKANPZ-UHBFCERESA-N	531.436	6.532	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1OCC	409335488	OJYSIAZYXDKNKZ-MWLSYYOVSA-N	543.845	6.409	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCCOc3ccccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409335801	YJGXASJWAQZDHI-UXHICEINSA-N	555.867	5.595	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Br)c1OCc1cccc2ccccc12	409366493	VICVKXBEAPTOOJ-CAQPMQTCSA-N	575.459	6.044	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCc1ccccc1Cl	409370560	AOATUOPMGUYQAG-ZDLGFXPLSA-N	627.647	7.201	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(C)=O	409397266	IBZKUFMZWUZVFJ-UHFFFAOYSA-N	656.489	6.523	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397496	KLUYDWFIIVVWKE-UHFFFAOYSA-N	564.554	5.743	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409397775	NXXUHAPTALLYQI-UHFFFAOYSA-N	629.944	8.509	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccccc1F	409399166	IEOLXSORVKRXIO-VHFSBPNMSA-N	646.513	7.519	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC#N	409400261	CIOWZMYGFOHSQQ-CNCDYAKUSA-N	656.331	6.466	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccccc1F	409402221	JELFESLRAYZKCJ-UHFFFAOYSA-N	602.062	7.410	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc2c(c1)OCO2	409405084	SAYRFNCODMCYPW-OCUJFKKWSA-N	721.004	8.152	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)c(Br)c1	1529547938	RVTNPKFXLNCEQW-JRAYHQQOSA-N	651.583	5.222	50	40	KKGB	
Cc1ccccc1[C@@H](N[S@](=O)C(C)(C)C)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C	1857795165	QJYMSQMBMNSAOT-PVUKSDKOSA-N	617.795	8.326	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1	1790862	HNTBYKLZNBDZBY-ZCTHSVRISA-N	560.745	6.137	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2	1805833	GRHGCXCBFNFCDW-SDNWHVSQSA-N	525.970	6.171	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H](Br)[C@H](Br)P(=O)(c1ccccc1)c1ccccc1	3068967	GAJAHEWFSZKLSU-CLJLJLNGSA-N	588.216	6.457	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3OCC(=O)O)nnc2-c2ccc(C(C)(C)C)cc2)cc1	6156930	FKNVCUUBCUVVGF-LJUMEUDFSA-N	557.676	5.246	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OCc2ccc(C#N)cc2)ccc2ccccc12	8812939	JFEMQKGPVFEIJN-OKCVXOCRSA-N	514.379	5.825	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	9204806	JHRXEZNNAYSHID-LQKURTRISA-N	518.367	5.782	50	40	KKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	28214248	CHGYSIBURFZVKU-JZNDDVEWSA-N	502.423	5.642	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)ccc1OC(=O)/C=C\c1ccco1	97960698	RZEIXIXJMJBCTE-IKTZSPQWSA-N	538.181	5.497	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(Br)c(OCc4ccc(F)cc4)c(OCC)c3)cc2c1	97960975	QROSYCMYGGLXRU-FJEPWZHXSA-N	555.400	6.475	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(OC)cc3)=C(C#N)[C@H]2c2ccco2)cc1	98048657	JJEQJXAKPLXZJJ-MHZLTWQESA-N	528.634	5.557	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048754	NXYUZHNJICXNKP-MHZLTWQESA-N	544.608	5.246	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	100062218	RNJRNUDRWPXXEQ-WKULSOCRSA-N	552.266	7.016	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Br)cc1	100186443	SYEINAVTCWYEFS-LGJNPRDNSA-N	577.229	5.400	50	40	KKGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	100230532	QZVGKUKNARCBHD-FCUHMZLNSA-N	554.710	6.720	50	40	KKGB	
O=C(Nc1nccs1)/C(NC(=O)c1ccccc1)=C(\Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100472543	KUFQGCOJRBMAET-DQSJHHFOSA-O	569.046	5.914	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1	100957359	YLRDKPZIFGACPO-FCDQGJHFSA-N	566.625	7.490	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	102808503	JVGMUORGLJMCOO-SSEXGKCCSA-N	571.146	7.389	50	40	KKGB	
O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104092552	NFKXRYJYYCYMIR-UHFFFAOYSA-N	582.664	6.008	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccccc1Br	104401895	IKXQMGOHNKLEGW-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342316	NYJNXKGZEHMBBC-UWTATZPHSA-N	942.051	11.564	50	40	KKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1nnc(S[C@H](C)C(=O)N/N=C(\C)c2ccc3c(c2)O[C@H](C)C3)s1)c1ccc2c(c1)O[C@@H](C)C2	150362401	XOXIDXFOQLFJPV-HVESKCGFSA-N	638.841	5.227	50	40	KKGB	
CCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCC	150382830	WKUXMFOLNOEMHL-AUVRGKJGSA-N	736.799	11.267	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	162449766	YUHQEUNWMCUZRC-MHDJOFBISA-N	633.985	6.717	50	40	KKGB	
COc1cc(COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2)ccc1OCc1ccccc1	408538594	ADCDYQAGENRPII-MNBJERMJSA-N	545.433	6.380	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408540932	CXVDYPBAJCPCHC-JAIQZWGSSA-N	568.367	5.388	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)c(C(=O)OCC)c1C	408547186	UCMKERUMEFGKGY-AWNIVKPZSA-N	585.270	5.359	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cccc(C#N)c1	408568278	SLAIMVZTODIVKX-OCKHKDLRSA-N	667.082	7.173	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408579415	HCKBTRQPFQTXFE-GIJQJNRQSA-N	537.668	8.451	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1	408611459	QZTXKBVRVXGNFZ-RWPZCVJISA-N	500.382	5.450	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1Cl	408611631	RIBKNQXHJSALFR-RPPGKUMJSA-N	521.198	5.424	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O	408639627	GCWIYXDNROAIIR-CLZKWMEGSA-N	557.861	5.284	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408640238	HRDLQPBCFZXMNJ-ZYGGUILKSA-N	651.566	5.809	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408649102	XLBILLSECYNSDT-SEXKYXSUSA-N	661.572	5.265	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1cccc(Cl)c1	408710728	XLEOICYNEUUFSO-CCVNUDIWSA-N	547.833	5.861	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	408711721	HPGYFMHEMSPURS-YKQZZPSBSA-N	517.423	6.273	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408725294	KNAZLZSFFWIDEG-MFOYZWKCSA-N	562.247	6.985	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408746957	INIPLWZLUDCILE-SXGWCWSVSA-N	536.640	7.534	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(I)c1OCc1ccccc1	408755111	TZVWYYOUBZMYRA-NDENLUEZSA-N	552.368	5.627	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408760919	AYTYQNCWOFGMLH-UDWIEESQSA-N	584.264	6.513	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Br)c1	408762027	BZPMNFBXNNPZJJ-UUASQNMZSA-N	706.987	8.248	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408765513	LPIOQHSVAGPWEA-NVMNQCDNSA-N	586.236	6.043	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1	408767079	VMIGNZLXGLUNLY-FYJGNVAPSA-N	535.394	5.759	50	40	KKGB	
N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N	408777358	YAAMBTUSKXVYLJ-NPBOOXIJSA-N	523.065	6.295	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(I)c1OCc1ccc(Cl)cc1	408782366	HJKTVZDRPBAKBR-RGVLZGJSSA-N	602.856	6.865	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2cccc(Cl)c2)cc1	408784878	CXLSFBKBOPHVOS-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c1	408788208	JCSRTBPGKYLKSG-DJKKODMXSA-N	679.252	6.546	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccc(I)cc1	408792911	MIXNEABWVKYHDO-XDHOZWIPSA-N	680.280	6.428	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1	408799234	YLHSXDNSVBSWSS-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)cc1Br	408806434	AVBFQFJJMDIIFB-CXUHLZMHSA-N	506.194	5.008	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1c(C)ccc2ccccc12	408815615	XJSJSNLHMQVJAH-OEAKJJBVSA-N	545.466	8.287	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408824443	QFZWQUWOCUGYCL-YDZHTSKRSA-N	731.268	9.621	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408824629	GZKUVPIKYFDZLA-STBIYBPSSA-N	522.026	5.396	50	40	KKGB	
CC/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1	408828075	IRQDNYDRONQTCY-CDSHQWRTSA-N	606.144	6.605	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Br)c1	408828302	DKSHZZUPKVLLMC-LPEPFOFCSA-N	698.810	6.482	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	408829089	NYQGLIYNRXKACG-FADJLKOXSA-N	609.704	5.782	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408833750	XXUSQBQERMMGKO-FMFFXOCNSA-N	595.508	5.981	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408839371	RGLVNQWDBOESFK-AIMOZCANSA-N	812.507	9.728	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc(OC)c1OC	408841939	HIYOXPQBSDUTCI-KULFSUQXSA-N	723.001	7.578	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccccc1F	408842205	NTDNXDCPEGXSTM-HIWRWHBISA-N	558.557	6.325	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408844270	NDEFMOPFJIXYNN-ALQBTCKLSA-N	642.621	5.255	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408860194	WPXIWMOKDLKFMZ-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1OC	408862723	IRHGNRFDNODNJF-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408863258	QQQKHYQWNRJGIW-AABVJFSESA-N	711.849	7.343	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)c(OC)c1	408866858	IXELXSQIRMKMAE-AWQFTUOYSA-N	555.400	5.416	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2cccc(Br)c2)cc1	408868951	OLMGFKZJLQDRTF-ZCTHSVRISA-N	592.515	5.682	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(Br)c2)cc1Br	408879423	GDFAJHCHAZEJTA-UFFVCSGVSA-N	517.015	5.303	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408880044	GSCNSNCOUHNFGO-LUOAPIJWSA-N	625.795	7.296	50	40	KKGB	
N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408880975	JRICADPILOYCPH-LDADJPATSA-N	532.339	6.820	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408882637	RMFYZFSNJYYXQX-LDADJPATSA-N	585.432	5.168	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OC(=O)c1ccc(OC)cc1	408883880	XAHYBXJGGIDOPK-LICLKQGHSA-N	647.809	6.025	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc2ccccc12	408886353	KFXQSBACFWMEET-KGENOOAVSA-N	600.425	6.983	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(Br)cc1	408947035	NMVHGFIZUJGYPE-NDEPHWFRSA-N	746.478	5.684	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(OC)c1	408953587	MDWXQXXOEVWCIV-GGMOOUJYSA-N	720.404	6.064	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OCc1ccccc1Cl	408955000	OAWAYGIFBDHNQK-NSJAHCMFSA-N	677.154	5.385	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1	408956074	VVWBSESXJYWUNN-MTJSOVHGSA-N	520.416	6.328	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc(Br)cc1	408964902	ILJMTCSNPAMJLB-KKMKTNMSSA-N	603.223	6.218	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408971498	GLXBGONRXHHZHP-VEVKORFRSA-N	526.464	5.762	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br	408982955	JCRRNJJQWNEBBQ-ACAGNQJTSA-N	542.611	5.271	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408997055	QHUCLXIUYFENIM-PXNMLYILSA-N	602.537	8.824	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409002010	RVYNBVIDFDXJBD-DANHRZQXSA-N	696.017	7.398	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409009539	GBMYAMXFSNOPGB-UCMJSZAQSA-N	537.616	5.607	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409033468	FJCQNARWMKUMPD-QMRORBIVSA-N	590.894	8.214	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409049636	ZJNAEZWGYQFADN-KVAAJVFYSA-N	647.982	8.321	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1	409050007	ZJFKMHQPHICARK-YBFXNURJSA-N	515.418	6.232	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	409056934	NPCRECAPBDBMIT-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)Cc2cccc(Cl)c2)cc1	409058340	NVHJRDSGHXFJBR-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1	409062365	SNQCEYFTUAHBJG-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)cc(I)c1OCc1ccc2ccccc2c1	409086608	RFSVSVXKAQSNDA-LQNQUEJISA-N	580.422	6.195	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409088355	XEGPXADNFMGNIH-CPNJWEJPSA-N	548.939	6.622	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)OCO3	409097971	OZGMPSGPBDSNOI-QFIPXVFZSA-N	684.655	6.075	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409122955	CQQZUQHTERSWOS-FABQOPTDSA-N	623.106	5.459	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)cc1	409150207	AKTQQEMMJZEREG-VWJSQJICSA-N	666.356	6.050	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2ccccc2Cl)cc1	409185452	LOGVVXHUDGEKBS-XZKBKLFHSA-N	619.143	5.250	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1	409219445	QOPWZXRUXRMFGS-UHFFFAOYSA-N	704.202	8.062	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccc(OC)c5)(c5ccccc54)[C@H]3C2=O)cc1	409223837	IUHXTKCFHRYGMN-ZPYZOWKBSA-N	585.660	5.451	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc4c(c3)OCO4)cc2)c1	409224588	MOKFCRVJEVIHLL-ZMGVVAQMSA-N	555.974	5.613	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1ccccc1	409244189	ZDNKPVCOZROZAM-VBNMEBLOSA-N	652.245	6.398	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409249158	IPXNSVYYJFAUEG-NUJZUDFISA-N	650.311	5.851	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409265584	MWSMRWUSWHXNQB-RODHXAHZSA-N	705.034	8.068	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccccc1Cl	409267999	YOVAUWHWOBHSLN-SQBGJFPKSA-N	506.002	5.129	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc(-c4ccccc4)cc(C(F)(F)F)n3)o2)cc1	409276327	PSCADOZAQRGLHK-QGOAFFKASA-N	506.509	6.761	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1OCc1ccccc1	409318207	VCGNNSQTMWKVFU-HQDYHJHZSA-N	579.480	7.323	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OCC	409333401	OZGHXXCQOBGDSM-LJUMEUDFSA-N	553.011	5.743	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409370624	CDBUHSYDQSVTBW-QDTIIGTASA-N	563.463	5.168	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409371104	BAQMGNWLEGAQKH-IUXPMGMMSA-N	593.069	7.525	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372065	RLFTZWPWZVDAIQ-IUXPMGMMSA-N	595.618	7.258	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409372691	GSAKCNIOSLVJQW-OKCVXOCRSA-N	625.419	6.103	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OCc1ccccc1Cl	409373464	UCTWOMAXTTVNOJ-UNOMPAQXSA-N	501.751	6.596	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Br)c1	409382205	PYANIAHBUFMAAF-PDGQHHTCSA-N	508.347	5.460	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccccc1Cl	409387612	XGNFTTKZUMBXGD-KKMKTNMSSA-N	530.389	6.468	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c(O)c1	409393647	YQZHEKQKGAQWAB-WKULSOCRSA-N	582.394	5.510	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c(-c3ccccc3)c2c1	409395736	RDPBJYYQICCYPU-UHFFFAOYSA-N	558.388	6.182	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl	409395798	RWETZLILOUMADE-UHFFFAOYSA-N	766.273	9.812	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409397516	KRQCIEQDHSWXNI-UHFFFAOYSA-N	612.436	6.318	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(I)cc4c3-c3ccccc3)cc2OC)cc1	409397851	OQTOUQDFBIQSJY-UHFFFAOYSA-N	645.453	6.440	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)c1	409398686	VETJQCFZSHSVIQ-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409401063	GFJUVIVPRCHDEL-AEUUOICLSA-N	673.520	7.288	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC#N)c(Cl)c3)o2)cc1	409401525	HKSLXMLCNAGDEV-UHBFCERESA-N	502.958	5.586	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)o2)cc1	409404361	PYZQJHKKKOPIGZ-DLCNMLRHSA-N	688.491	7.188	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1cccc([N+](=O)[O-])c1	409406941	YEGGHEVVTZVPJM-RODHXAHZSA-N	752.416	8.051	50	40	KKGB	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)[C@H](CCl)C(O)(O)C(=O)CCCCCCCCCCCCCCC	888085230	RKODLAQXWBZYNH-DLUHYBPJSA-N	611.392	10.955	50	40	KKGB	
CC1(C)c2cccc([C@H](N[S@](=O)C(C)(C)C)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21	1857795207	VHKADKPVTWWGNZ-CFWCUSOFSA-N	603.768	8.018	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccco3)nnc2-c2ccc(Cl)cc2)cc1	1813741	VLNCCZLAQIVZIN-OSPQRHEESA-N	508.003	5.487	50	40	KKGB	
Cc1nc(SCC2=C(C(=O)OC(C)C)[C@@H](c3ccc(Br)cc3)C(C#N)=C(N)O2)c(C#N)c(C)c1C	1873557	JIPZSHPBUPWEOS-QFIPXVFZSA-N	553.482	5.447	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1OCc1ccccc1	1900511	ITKUHYDZIKVVEL-DPNNOFEESA-N	585.085	5.869	50	40	KKGB	
N#CC1=C(SCc2ccccc2)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	2064193	JDQCXFCAPNRVGF-ZFGGDYGUSA-N	535.012	6.507	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)cc1C	2310637	TYXLPHHWPZLVIL-HKBQPEDESA-N	549.696	6.683	50	40	KKGB	
O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	2358019	CHUYARZGBAUWKL-ODCIPOBUSA-N	514.441	5.288	50	40	KKGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1	2761541	CRUJHMJNBDTIRL-XDBZFTIUSA-N	557.006	5.964	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NC(C)(C)C)N1	12250159	LTFBYUAVJZUZDG-OAQYLSRUSA-N	519.454	5.569	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	15222596	TZDZQLQZSXWHQT-DHRITJCHSA-N	502.752	5.283	50	40	KKGB	
C=CCOc1ccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1	27061504	BPEAODZCQAQQCO-CYVLTUHYSA-N	504.036	7.406	50	40	KKGB	
CC/C(=C(/CC)c1ccc(O[P@](=O)(Cl)N(CCCl)CCCl)cc1)c1ccc(O[P@](=O)(Cl)N(CCCl)CCCl)cc1	49882025	ANUQECSMIFBKSJ-WQBPCZGRSA-N	713.234	10.428	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1	59335598	NHLRAJHIYBPKJW-NDENLUEZSA-N	509.375	6.420	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(Cl)cc2)cc1	59647458	CKZHLIPFOZSKCS-BIZUNTBRSA-N	558.059	6.001	50	40	KKGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)cc1	97961078	TXOSJKFQNZKNMJ-FVQMWKJKSA-N	573.123	6.231	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1	98048737	YGSGUDTXYOSJON-NDEPHWFRSA-N	529.061	6.704	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1cccc2ccccc12	100176705	OXPBYHMLTNIREG-JEPNHJGPSA-N	541.607	6.046	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100220787	KTQZDIGHJSDQAX-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	100336487	COIFUXQKDFPUON-YVLHZVERSA-N	579.221	6.731	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1	100837047	OFIALDMDUKNJGY-RAMZYJDASA-N	546.048	5.890	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2O)sc2c1CCCC2	100924375	PTARYPUQCCTWHY-KPKJPENVSA-N	554.260	5.580	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)c3ccccc3n2)OC(N)=C(C#N)[C@@H]1c1cccc(OC)c1OC	100986204	YYAWWFATLWDPSF-SANMLTNESA-N	580.666	5.731	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNC(=O)c1ccc(Cl)cc1	101007343	LTPXMZJIQMEVCT-RGEXLXHISA-N	522.479	5.216	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1	101534196	NHVJFBJLLBRXAC-XAZZYMPDSA-N	600.420	6.582	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	102808560	NUGCYCJTINLWSD-NDEPHWFRSA-N	543.092	6.663	50	40	KKGB	
ClCCN(CCCl)c1ccc(CNCCCNCc2ccc(N(CCCl)CCCl)cc2Cl)c(Cl)c1	104079049	DISHFFIYUCDKSR-UHFFFAOYSA-N	603.293	6.831	50	40	KKGB	
CCc1ccc(-n2c(SCC(=O)NNC(=O)c3ccc(OC)cc3)nnc2-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1	150387577	PUYFNHHNVPSUMD-UHFFFAOYSA-N	656.790	5.168	50	40	KKGB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	150412410	MWLSNAGOXUCKST-JUMDDWNOSA-N	652.128	8.914	50	40	KKGB	
Cc1c(C)c(C)c(CS/C(=N\[C@H]2C[C@@H]3C=C[C@@H]2C3)P(=O)(c2ccccc2)c2ccccc2)c(C)c1C	169809436	WIUABJLTNQUZQC-VQHSZJAVSA-N	513.687	7.797	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(I)cc1	216048613	PXQHROKISUWRFJ-WKULSOCRSA-N	576.862	6.232	50	40	KKGB	
CC(=O)[C@@H]1[C@H](SS[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2C(C)=O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	254645437	NHJXCPWVTGRSKZ-QVNMNJHZSA-N	695.088	9.383	50	40	KKGB	
C[C@]12[C@H](c3ccccc3)C[C@](C#N)(O[Si](C)(C)C)[C@]1(C)[C@@H](c1ccccc1)C[C@]2(C#N)O[Si](C)(C)C	257352503	LRHBAWMZMYGFDN-KLDGOVGUSA-N	516.834	7.602	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408543372	QQCNAZSNRIIQOO-NVMNQCDNSA-N	569.311	5.022	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550381	DEVHBFLCVVWXCB-LZYBPNLTSA-N	657.270	7.737	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccc(C)cc1	408568019	HQVAIHQCQDUJAK-WKULSOCRSA-N	587.561	6.353	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	408603960	HVANOFCJVQQTLL-QHCPKHFHSA-N	547.980	5.593	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408675835	BOSXBLKFNGVYMC-WCMJOSRZSA-N	546.882	6.989	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(I)c1OCc1ccc(Br)cc1	408710577	KUMBNNZWBFMYJR-CCVNUDIWSA-N	639.284	5.813	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408726666	USEPAEZAUFNKBP-ZDLGFXPLSA-N	567.352	5.789	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408747223	KRBQVHFDYKMWDK-XKJRVUDJSA-N	678.148	7.111	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408747773	SUBQWJNPLVEMLE-KYHGBAKBSA-N	767.199	6.624	50	40	KKGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1Br	408757071	WLJOSUFCOJZBNN-WMZJFQQLSA-N	504.993	6.073	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408759958	OWZYGWYCWKMDML-NVMNQCDNSA-N	648.251	6.485	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408762159	NISHZHRMJKVEBX-IUXPMGMMSA-N	542.773	6.144	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408762909	CLKTXRWIDOUUGA-PXNMLYILSA-N	536.640	7.534	50	40	KKGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl	408763479	FSNNVLWIWAWAQI-RVDMUPIBSA-N	518.334	5.215	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408787543	BQDRUWQJRQRSSC-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408788688	FZMDBQSVQAPCKT-JWGURIENSA-N	567.402	5.265	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1C#N	408792641	BPEKBRQMJTWEJV-FSJBWODESA-N	577.422	6.303	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc2ccccc12	408792813	CINOMURZJCMBQK-LPYMAVHISA-N	572.415	7.034	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408792886	MAIIDEWGCCZLHB-GIJQJNRQSA-N	556.800	6.452	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1C#N	408799243	YKRCVEQDUPROGA-WPWMEQJKSA-N	515.569	6.271	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408820369	XHLUJXVGNSITPU-OYKKKHCWSA-N	512.993	6.313	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	408825760	GABSYPDEGLEWJO-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1OC	408834161	VFSVHQHWFAEQNE-VQWGYEAZSA-N	799.755	6.644	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408839809	AOKDDUQWTSAEAN-RPUDKEGQSA-N	602.469	7.908	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(F)cc1	408848660	XOWJUHPBNODWQI-IZYHBKOJSA-N	659.581	8.505	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccccc1	408851956	OGEPXLSTQHJHGQ-PNEAAFPUSA-N	555.678	7.533	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)OC	408853348	RHLBESZEYUCHDG-CAQPMQTCSA-N	590.474	5.930	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408861022	KZOKMHQSYIDBHF-HNSNBQBZSA-N	656.986	6.426	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1	408861121	NMHKNMZJJDRMNE-BYNJWEBRSA-N	544.073	5.100	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Br)cc1Cl	408871551	HFFURMBLVGJDQW-YBFXNURJSA-N	544.674	7.310	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c(OC)c1	408872704	OMDFKRGRUVHNGB-FSJBWODESA-N	730.340	6.869	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1Cc1ccccc1Cl	408881626	JQYXNSANQLJUAZ-RGVLZGJSSA-N	556.831	6.707	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	408939020	HVGZLVXIPACCDE-IDWIKUEFSA-N	593.083	6.896	50	40	KKGB	
O=C(N/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cc2cc(Br)ccc2o1	408947684	QTRAHHJPRPKKBJ-MNDYBZJGSA-N	533.809	7.345	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	408957507	USYPLVJPPBTOTN-WLQDDEQESA-N	590.477	5.345	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)c(OC)c1	408958602	ZKMMQRCAQAWJNO-IUXXIWHHSA-N	710.969	5.282	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1cccc(C(F)(F)F)c1	408963363	NNLVWJZHCJHRRL-IBBHUPRXSA-N	574.340	6.806	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(F)cc1	408981277	ACQAPAPTJHHRBE-NVMNQCDNSA-N	529.793	6.683	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1	408982441	DNVBMTSGCYLIEP-NVMNQCDNSA-N	525.786	6.264	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccco2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408994628	IFCUCCHRTCJAJX-MWYAZZEHSA-N	577.056	6.463	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	408995906	FQDAKUAYXSIZQZ-WEIOAWTCSA-N	547.611	6.029	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408997677	NZBWHXHIMQLNSB-KCSSXMTESA-N	586.988	5.882	50	40	KKGB	
O=C(COc1cccc(Br)c1)N/N=C\c1ccc(OCc2ccc(I)cc2)cc1	408998444	JERHGXSJYXPPQS-MXAYSNPKSA-N	565.205	5.162	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)c2ccccc2)cc1	409001791	KLUGWEBQAZIXNX-KWAQJPELSA-N	562.091	5.787	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	409010230	BLEVSCLDAVPJKL-OWHNODLPSA-N	588.491	5.804	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1OC	409012056	IPVWQFBTYXZERE-RGEXLXHISA-N	505.958	5.310	50	40	KKGB	
CC(C)Oc1c(I)cc(I)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409036454	WFJZGMBEWFLTTP-WKULSOCRSA-N	661.281	6.662	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)C(=O)NCc1ccccc1	409042561	NIDDVJLDYDUHNB-VXLYETTFSA-N	560.673	6.667	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1Cl	409070151	DQILLORGLXRVAB-XNTDXEJSSA-N	507.782	5.960	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1	409086085	UREXOXKKUOURPL-ZRGSRPPYSA-N	614.196	5.686	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409119471	SLLDOWIGRPWHET-JFLMPSFJSA-N	548.890	5.006	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1)Nc1ccccc1C(F)(F)F	409162003	BSLPCVSFOYFZME-PNQUVVCRSA-N	553.324	5.119	50	40	KKGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409164613	KYTKVUPWHRVFPT-WKULSOCRSA-N	563.279	6.594	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409177559	HBPYLGHJFWTRDG-UZWMFBFFSA-N	502.574	6.515	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)cc2c1	409186791	HWTIWNWWSWEXIG-DBFSUHOCSA-N	700.698	7.037	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409200567	IFLUDWCXRVNRGS-ODLFYWEKSA-N	526.286	5.541	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409225376	PQPAHHZMMDRMMZ-UHFFFAOYSA-N	618.042	5.610	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409234462	WXBSDJIZVAGBEX-CTPANLQCSA-N	583.382	5.571	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409235449	QBQYTPHIOFPQOO-SPMKTWQFSA-N	562.464	5.958	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccccc1	409250118	PQQHIKWHBFQULC-VRKJEAOJSA-N	609.145	7.882	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	409252185	RCVLMMRJGZBAOY-KFTQWTFOSA-N	500.357	5.215	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409258981	WTPQIXUULXIGLJ-QRVIBDJDSA-N	623.491	6.487	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409304161	QGMBDEVMKMKEOP-YUMHPJSZSA-N	538.513	5.255	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OC	409309396	GOZYKIRGZBMAFY-FDVSRXAVSA-N	530.408	5.572	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)ccc1OCc1ccccc1	409316184	LPFBTNZYLWETDV-HQDYHJHZSA-N	680.495	6.319	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409331083	DPWKILAHTWTNJE-AQLQTECXSA-N	626.382	6.738	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc2c(c1)OCO2	409366796	YLJUTHIYPXDOHG-IDUWFGFVSA-N	547.630	7.237	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1	409386709	RMBCPMDWECLREA-WKULSOCRSA-N	515.978	6.959	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409387565	WZFGEBXTPJYBRT-IPBVOBEMSA-N	564.834	7.121	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)cc1	409395588	PLNQPOBZSZLQAH-UHFFFAOYSA-N	807.664	8.610	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)cc1	409396195	WZPRLDHCQUXGEM-UHFFFAOYSA-N	567.045	6.546	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409396751	ASBUQGBISRWLIJ-UHFFFAOYSA-N	582.012	6.599	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397826	OLKRWEMFHUQGBO-UHFFFAOYSA-N	563.013	6.742	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OC(C)=O	409399080	HRGYDVLSZHTMTH-MNDYBZJGSA-N	580.435	5.726	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)[nH]c12	409399342	ZSXOJDLJOTWQIY-UHFFFAOYSA-N	607.663	6.415	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4cccc(F)c4)cc3)o2)cc1	409400667	DYGMZYZLBLCNJR-KMUKQRDJSA-N	580.616	6.187	50	40	KKGB	
Cc1ccc(P(c2ccc(C)cc2)c2cccc3c2OC24Oc5c(cccc5P(c5ccc(C)cc5)c5ccc(C)cc5)C[C@@H]2CCC[C@H]4C3)cc1	575629786	QGOSBHUTQQGVPA-IMUOSOIKSA-N	716.842	9.119	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1	1529547944	SBVPMRMBPFTIPI-MMVATDKPSA-N	854.461	5.089	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(OCC)c1	1529548233	ZILDPQDJCQCMSA-RBQZPKEMSA-N	652.773	5.703	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc4c(c3)c3ccccc3n4CC)nnc2-c2ccccc2)cc1	1897214	UFANIFRMNVBAGV-KEIPNQJHSA-N	574.710	6.703	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1COc1cc(C)c(Cl)cc1C(C)C	2274936	YFRIFUCXVVYEOB-XAZZYMPDSA-N	541.500	7.991	50	40	KKGB	
Cc1ccc(NC(=O)c2cc(SSc3ccc([N+](=O)[O-])c(C(=O)Nc4ccc(C)cc4)c3)ccc2[N+](=O)[O-])cc1	3143058	CZOUAWOPEHPFAL-UHFFFAOYSA-N	574.640	7.424	50	40	KKGB	
Cc1ccc(C(=O)NN(C(=O)Nc2ccc(Cl)cc2)c2nc(-c3ccc(Br)cc3)cs2)cc1	3768091	FWJHVWBCXMARNQ-UHFFFAOYSA-N	541.858	6.918	50	40	KKGB	
CC(C)c1ccc(NC(=O)CCCC(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	9850855	RFKLLKMYRMSAFM-UHFFFAOYSA-N	503.443	5.418	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1cccnc1	12651440	ONHALLVLVMPTTN-CVKSISIWSA-N	517.221	5.648	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	13661841	VXDHHKZAQOKADE-PHRANEHHSA-N	508.430	5.736	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1cccc(Br)c1	19826138	BHZUDBPPYMHBME-OVVQPSECSA-N	520.456	5.638	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1	20198001	OLXXODNWVBQVQS-MUFRIFMGSA-N	501.410	6.524	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	32522851	KFSFYAAIUHLZSS-RPPGKUMJSA-N	502.448	6.425	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(CN(c4cccc5cccnc45)S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1	33354120	FVUMXCHPYXIDSI-UACWCTJZSA-N	654.792	7.590	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc2c(c1)Nc1ccccc1S2	33671752	BAEZFQSAHNALGD-HQDYHJHZSA-N	521.045	7.917	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(Oc2ccccc2)cc1	59472970	FMRVBZWESFJQCD-ZTKZIYFRSA-N	515.591	5.188	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	59853312	NCJWITMFFRKEJG-UZWMFBFFSA-N	561.635	5.149	50	40	KKGB	
C[C@@H](C(=O)OCC(CO)(CBr)COC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1)c1ccc(-c2ccccc2)c(F)c1	95101072	SOWSPOXXVYKTPD-DNQXCXABSA-N	651.544	7.666	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)c2C)c1	100100208	RAKVAFBYYINNAA-KBVAKVRCSA-N	546.534	7.530	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1cccc(Br)c1	100120233	XQBIDVXVLVXTEN-KCSSXMTESA-N	541.493	6.179	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100124579	MEHGICMXCRFOAM-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	100232835	MIJBQGHNHFJNJT-ZDLGFXPLSA-N	556.800	6.534	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)ccc1O	100298692	RLQPYAGJNGWWNQ-FDAWAROLSA-N	564.063	5.522	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccccc2)cc1	100350355	IRFQMQDOFJIAIF-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1	100853943	WMBZUSXOBWKSGV-UXHLAJHPSA-N	579.524	5.903	50	40	KKGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2	102010340	QCDAPCLAWUINIF-UPLVPYDLSA-N	527.513	6.250	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccco1	102760579	SFBIKXMBTZILNJ-SANMLTNESA-N	577.062	5.735	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	103898233	FCCSMQHWHNFPFF-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
CCOC(=O)[C@H](CC(C)C)NC(=O)c1cc(Br)c(C(Br)Br)c2c1Nc1c(c(C)c3oc(=O)c(C)nc3c1C(=O)N[C@H](CC(C)C)C(=O)OCC)O2	150383054	MYIYHVKPWUTACV-LEWJYISDSA-N	901.444	7.620	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	150440296	FKGCKLZBVFPXAK-IPBVOBEMSA-N	771.562	6.295	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1	408535233	YBUWALCFWIGXRW-XODNFHPESA-N	561.274	5.670	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408541411	ZKLCGTMPBIJNCZ-UCMJSZAQSA-N	569.614	6.314	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)c(C(=O)OCC)c1C	408546445	JMLWMVPJKMJNOJ-CIAFOILYSA-N	561.612	5.436	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Sc3ccc(C)cc3)o2)c(C(=O)OCC)c1C	408547137	RSDSSRHMBJNOGK-QGOAFFKASA-N	523.632	6.181	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1ccc2ccccc2c1	408549178	QJSXZNZLBDOOIJ-JJFYIABZSA-N	645.132	8.613	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccn1-c1ccc(Br)cc1	408569876	QRVZNTSABZRYSO-ZVHZXABRSA-N	502.459	5.248	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408579392	GSSYIKBJMFEAPT-GIDUJCDVSA-N	558.086	8.714	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408579741	JXPZVWSDHRUDNA-GIJQJNRQSA-N	593.248	6.997	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCC(=O)Nc1ccccc1	408584029	ZOBXHAWPIUEWRP-UDWIEESQSA-N	584.410	5.789	50	40	KKGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1	408607013	BJYJTLDQFVKFTA-VFLNYLIXSA-N	504.801	5.301	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1	408607697	UIYIWCYPVDQWPA-DEDYPNTBSA-N	550.537	6.559	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408643624	PWLJCNMJXAEJRX-NVPYSNMXSA-N	782.225	6.283	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408711761	JHHQVIJINXSMJX-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc(I)cc1	408712001	VDGOCWCGVCMLMR-KKMKTNMSSA-N	548.211	6.365	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1	408743265	FKXJNXSHCQATMN-IMRQLAEWSA-N	516.601	6.489	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)c1	408743480	ALUQARRTSSOIJO-ODLFYWEKSA-N	586.280	6.744	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(I)c2)ccc1I	408746267	DFXYSFNGFBHUED-RPPGKUMJSA-N	646.650	5.901	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408767676	ZUFQDXXLJYDETR-RPPGKUMJSA-N	617.261	5.594	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccccc1F	408787454	AIPWQXRMWJXROG-BUVRLJJBSA-N	587.445	7.300	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Br)cc1	408793009	CQJWPAJNOCDYMJ-UDWIEESQSA-N	570.281	7.043	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(F)cc1	408793447	OVJPDBILRKRLKG-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408811134	LXLNEAHBRBRJTA-XKJRVUDJSA-N	520.800	5.115	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)cc1	408815083	IENPZJOMWNVWEN-DBSPGSINSA-N	586.095	7.463	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408815536	HXVUDPUKMTUMJP-QRVIBDJDSA-N	561.863	7.067	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1	408820805	YVRCQKMUZWQXFQ-JAIQZWGSSA-N	572.374	5.250	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCc1cccc(Cl)c1	408825348	JPXIXHOJBOLJFY-QGMBQPNBSA-N	653.300	7.139	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408827197	GHNQKXRFWKHUBR-SJAPNOTRSA-N	699.454	7.882	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1Cl	408833846	ZNQKJXQYVKSPGA-DPNNOFEESA-N	672.985	6.044	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1cccc(C)c1	408838948	KQKDALHUGVEYTO-MWBNBJEGSA-N	641.591	8.285	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408840446	BHXHGNXXHVIJAV-BIZUNTBRSA-N	566.570	5.537	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1	408844402	OKDXXMSBICENEK-KCSSXMTESA-N	590.861	6.267	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408845747	ZGBNLIZYMAKBMX-KEIPNQJHSA-N	609.535	6.290	50	40	KKGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408846195	RCOZHIRUGDKGBB-MUFRIFMGSA-N	545.462	6.401	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408856549	QJAHYHAAOBINTK-DBSPGSINSA-N	642.981	8.610	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Cc1ccccc1Br	408867755	MYMLIWPTRIHMHK-WOJGMQOQSA-N	558.245	6.886	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	408878172	XJJUUSVUQBEVHE-MXAYSNPKSA-N	518.205	5.563	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1ccccc1Cl	408878691	BJDYVUPMZYRGFW-FYJGNVAPSA-N	539.857	7.188	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1Cc1ccccc1F	408880725	HBFRKQDPWCDIQS-WOJGMQOQSA-N	560.794	6.619	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408885658	DNQSVXCOSAQKRT-DHRITJCHSA-N	543.330	5.007	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1	408886960	NDESLUNABQUERK-LDADJPATSA-N	545.842	6.033	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OS(=O)(=O)c1ccccc1	408887585	SAGOXVPCNAFNPD-QGOAFFKASA-N	574.396	5.003	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408887814	RHJWIWMYKOGTSQ-OQLLNIDSSA-N	537.808	5.969	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2OC)cc1	408894278	HTMZWNCLFAIZHJ-UVHMKAGCSA-N	633.489	5.380	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2Cl)cc1	408897686	ZJNKRZFIVZVJGE-RQZCQDPDSA-N	546.388	5.832	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905341	XNORRJRKFZYYAN-ZRGSRPPYSA-N	667.197	5.893	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OCc1cccc(C)c1	408921347	AMWLGPWJASHIHI-RGVLZGJSSA-N	566.408	6.198	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OS(=O)(=O)c1ccc(OC)cc1	408926698	XKXKZRQVZFKXOM-SFQUDFHCSA-N	547.416	5.714	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408936050	FDEKDNOXSLLURT-FDVSRXAVSA-N	550.409	5.684	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1	408944156	INVRLOJQRYMWOF-GDLZYMKVSA-N	681.609	5.230	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)c(OC)c1	408948306	CPTCUUAYRRAJCS-XQTSXZJRSA-N	651.116	5.046	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc(C)c3)c(OCC)c2)c(OC)c1	408953031	LHUWVQDDUIRKTP-LBEBILTRSA-N	756.594	5.306	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408954229	YUNABGRWHUBUSD-HHHXNRCGSA-N	879.342	6.667	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O)c1ccc(Cl)cc1Cl	409000519	YMYGJKISDRTCKI-OPEKNORGSA-N	507.171	5.478	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)ccc1OCC(=O)Nc1ccc(C)cc1	409018701	XTLPNTKRFUGPSE-UHIZKJEFSA-N	670.358	6.014	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)cc2)S(C)(=O)=O)cc1	409023690	BYQJRFMDVADPFF-VTNSRFBWSA-N	583.541	6.439	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(Br)cc1	409042808	XWDBYOXGBXVOAA-HQDYHJHZSA-N	600.900	7.669	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409069957	YUNOLWBCFXTCSO-LDADJPATSA-N	575.868	6.123	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1	409109476	FSOSTXQDXCIFRP-MZJWZYIUSA-N	564.889	5.074	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409115275	IFXVNHLEIMVPEB-ZCTHSVRISA-N	548.064	5.782	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1cccc(Cl)c1	409134035	VJYFRHHJDJYTKD-QHCPKHFHSA-N	542.861	5.810	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C	409151535	HOFCYZDOOXUADU-AMVVHIIESA-N	601.885	5.224	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Br)c(C)c2)cc1	409158532	RIUIEPWXTRUHSE-FJEPWZHXSA-N	644.320	5.191	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)cc1	409163127	MDOKNOZAIWYCBW-VWJSQJICSA-N	713.356	5.892	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	409185194	UBWCCQJECODOJT-IITKLKRHSA-N	638.668	5.307	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c1	409188464	ZKHLETNBCJGJKH-WQRHYEAKSA-N	542.227	6.345	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccc(Br)cc1	409220451	ZVMNSXGQTPQYJD-UHFFFAOYSA-N	641.305	7.000	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1ccc(Cl)cc1	409223560	IJHDCPJRSSUHTO-QHXSYMKWSA-N	582.059	6.460	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)cc1C	409265988	XILHRQYLWVRSLB-ODLFYWEKSA-N	549.381	5.537	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409270221	DHVJXGSLYPRSFL-IUXPMGMMSA-N	636.273	6.478	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccccc1C	409270809	RIRMKTMAAJZHJK-XDHOZWIPSA-N	615.855	6.215	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OCC	409303411	MSHUCBNYTKHIHE-UHBFCERESA-N	585.451	5.686	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409315042	MMUQZAYATOQDFF-AQLQTECXSA-N	673.382	6.580	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409320454	BMHGKQBOUXSLPJ-KMUKQRDJSA-N	693.538	6.367	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Cl)c2)Cc2ccc(Cl)cc2)c(C)c1	409371110	GCCGJPAMOHWEIE-MUXKCCDJSA-N	518.466	5.260	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409377250	GZFFPCSDLJBZRW-VFLNYLIXSA-N	557.316	6.106	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387238	VEUOYWNVIWPGAX-AMVVHIIESA-N	733.325	7.515	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)[nH]c2c1	409391432	JHONZBNXILGVRC-UUASQNMZSA-N	519.215	7.828	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)cc1	409394819	GJNZUGDYJYKWRH-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409395515	OOTOKNKAGJBETF-UHFFFAOYSA-N	699.321	8.670	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc(OC)c1OC	409395794	RVOBRRAMJJPUJO-UHFFFAOYSA-N	707.375	7.369	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3ccccc3C#N)o2)cc1	409400684	FBDPEHCGKSQQLE-AEVGBRMKSA-N	657.952	7.897	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(F)cc3)o2)cc1	409402683	KNWGJCYNXKLVHD-AEUUOICLSA-N	616.487	7.511	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccc(Cl)cc3)o2)cc1	409410319	VFOFHALWNFEVPG-GTLFAMBKSA-N	639.064	7.210	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)OCCOC)c1C	2383602	LJLDZIMHNLOJAX-VBKFSLOCSA-N	515.588	5.276	50	40	KKGB	
N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12	2414406	YWARIZZMBKRRBH-XIFFEERXSA-N	521.580	5.458	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(I)cc1	3287654	AHIIRZUFVGTYQT-JFLMPSFJSA-N	529.422	5.525	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccc(Oc3ccc(O)cc3)cc2)cc1Br	3666328	FKDGLMKPSNQSTP-WYMPLXKRSA-N	520.177	5.482	50	40	KKGB	
O=C(CCCc1ccc(N(CCCl)CCCl)cc1)N[C@@H](Cc1ccc2c(c1)OCCO2)c1ccccc1	4822267	XJAWYDVJBYVRBQ-MHZLTWQESA-N	541.519	6.165	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(I)cccc3[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)cc1	6445751	WJCGBVFAUWQBNP-XZCYHHARSA-N	607.857	7.146	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br	8426017	AMJVGGHCPAIBJI-XDHOZWIPSA-N	531.410	6.033	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1	12273755	UDDHMWCONQOTFZ-FYAMCCBRSA-N	515.566	5.067	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1	13080670	YGAZADXETSUNOE-NDEPHWFRSA-N	524.646	5.710	50	40	KKGB	
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(N(CCCl)CCCl)cc2)cc1	19325346	ADFCGCFXXOOHID-UHFFFAOYSA-N	542.551	6.395	50	40	KKGB	
CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2C(F)(F)F)/C(=C/c2ccccc2C(F)(F)F)C1	19938720	JSCZXWWZAWREOE-GSTVHYHFSA-N	505.462	6.205	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)c1	19951510	OTBUKZWMILAWAB-UHFFFAOYSA-N	529.703	5.676	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)c1	58915013	OUNFQMOZUMTBMO-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	58915066	PQLFWADMKFRQIM-RDRPBHBLSA-N	521.042	5.093	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)c3ccccc32)c1	59117354	XPZSUIDGGNAFBB-UNOMPAQXSA-N	504.373	6.329	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC(=O)Nc1ccc(Br)cc1	97980642	AJBUBLRJOAFHLA-YBEGLDIGSA-N	608.798	6.693	50	40	KKGB	
C/C=C/c1ccc(OCC(=O)OCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)c(OC)c1	97981075	DVFVSHCCLPQMLO-QDBSCHEASA-N	526.511	5.736	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@H]3C(c4ccccc4)=NO[C@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	100011901	PCPWWUPRFBJKIV-LIKDAKGVSA-N	613.634	6.821	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)c2C)cc1	100124416	LTQAVOBWDNMLPI-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100125557	NBPSBTJNFJXFEH-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	100430779	LLGKZONRZKHBAP-MWLSYYOVSA-N	538.610	5.534	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1	100902858	JSDHYVNETDFYQO-AEPTXUNZSA-N	528.848	6.712	50	40	KKGB	
N#C/C(C(=O)Nc1cccc2ccccc12)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100988262	PDZPBACEAPVEKE-SCHJHDHGSA-N	554.469	6.667	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(OC)cc2OC)=C(C#N)[C@H]1c1ccco1	101305323	IKYKBRQTHFEEPB-VWLOTQADSA-N	545.617	5.065	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Cl)c3Cl)C3=C(O)CCCC3=N2)c(OC)cc1Cl	102886930	DUJFQDNYXWBWMI-HSZRJFAPSA-N	578.905	7.305	50	40	KKGB	
CC[C@H](C(=O)c1ccc(Br)cc1)[C@@H]1[C@@H](C(=O)NN=C2c3ccccc3-c3ccccc32)C(=O)OC1(C)C	103021707	QQYBXONNHLASCK-PNTFMKQHSA-N	559.460	5.775	50	40	KKGB	
FC(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528964	RYTBIZDZNWFDDX-UWTATZPHSA-N	592.002	7.117	50	40	KKGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)c2c(=O)c3ccccc3oc2c1	104246168	CDDJBHRMAWSFRC-OKCVXOCRSA-N	526.420	5.068	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1	104766578	APXPPWDSMKVLHB-LQKURTRISA-N	532.350	5.278	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	150385625	KXRPNYCTPLWJDN-AABVJFSESA-N	623.484	6.765	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(Br)c1	150385851	FOUYOACUXYHNPX-MZFJOGFUSA-N	672.443	6.003	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	150490478	FDKWVGQKAATEBF-FZPRHHONSA-N	645.565	5.772	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	253531098	JWEOPRVXJUYGSP-OHXOPSRXSA-N	549.678	9.359	50	40	KKGB	biogenic
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C	253531127	ZODHPXNJFNZLJV-QWBSIBICSA-N	597.722	9.946	50	40	KKGB	biogenic
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408527210	FKRQJRJYOCORJS-MPRHAZATSA-N	652.238	6.767	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)ccc1OCc1ccccc1	408538175	JZPNVCSWUXTYBN-DLUHTUDBSA-N	758.127	10.835	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2OC)ccc1OCc1ccccc1	408539925	ZZEYTJHZSHBLNT-LQKURTRISA-N	597.111	8.068	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551511	LIGIHYSFKGJUMB-UNOMPAQXSA-N	524.404	6.264	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1	408568718	WGZLVMVPGYJWEZ-WKULSOCRSA-N	529.862	6.390	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408582433	OCPNOWNMYVDHCO-YBFXNURJSA-N	529.228	6.872	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408598664	HUMIPSQOEKOSJR-IBBHUPRXSA-N	572.286	7.651	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1	408637233	HWWANPZUAWLXNK-NLGDKJDOSA-N	614.113	7.720	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408653025	PMKNVWDAGSWWTH-UEXGIBASSA-N	537.802	5.321	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408672897	PANZOLCSBXEYDC-QYRJXPSASA-N	574.313	5.346	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1	408727159	YMWJMZJIJNRWIG-ODLFYWEKSA-N	569.355	5.723	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(Br)c1OCc1ccccc1Cl	408742076	UTPWNWCCSZPYON-VWJSQJICSA-N	601.328	7.515	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1	408744253	JVBDJVGIVHKLAA-IUXPMGMMSA-N	506.216	7.733	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I	408744942	ILHGUPOSGBBKEZ-JYRVWZFOSA-N	588.570	5.107	50	40	KKGB	
N#C/C(=C\c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cccc2ccccc12	408757030	VYZXIFNCOQAYKX-YYADALCUSA-N	518.572	7.911	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	408762415	BBXBTIAKYRGOBR-ATVHPVEESA-N	576.266	5.833	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Br)cc1Br	408778489	GIVHVQMJIARRGQ-MFOYZWKCSA-N	576.672	6.998	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)c1	408783388	OMEYJVUEZVQZGQ-ULJHMMPZSA-N	516.439	5.592	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1cccc(C)c1	408787772	GBDGJIVGABKHIQ-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c(C)c1	408788601	LNATXMKXBQIVSV-RGVLZGJSSA-N	553.356	5.941	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1	408788632	LTBBWPODQHPXLE-RGVLZGJSSA-N	539.371	5.993	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408789518	JVDJYLLKJFAAKH-DEDYPNTBSA-N	506.356	6.044	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789918	SPBCPBLJWKKOOV-WPWMEQJKSA-N	762.385	8.753	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2I)c1	408790506	WQTXQHVWEULYIO-SRZZPIQSSA-N	601.282	7.104	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(I)c2)cc1	408793371	FDJRNJMQWSGSHW-DEDYPNTBSA-N	542.804	6.632	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Br)cc1	408795173	LLKNVQAFMMIRPZ-WOJGMQOQSA-N	635.150	7.497	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1cccc(Cl)c1	408801962	XIFCFJRGRKYZBV-KEBDBYFISA-N	572.830	6.695	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(C)c(C)c1	408805481	KNXVLOMUBCAFCF-KEBDBYFISA-N	621.302	7.738	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408817809	UOJZWBKXRQTIEV-RCCKNPSSSA-N	531.837	7.689	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(Cl)cc1Cl	408820247	UTULSMLUGQPBPS-MNDYBZJGSA-N	509.389	6.820	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1Cl	408820404	VWDYHGKRDXBDLG-GIJQJNRQSA-N	560.673	7.298	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1)S(=O)(=O)c1ccc(C)cc1	408830052	RMQCQKFVDVBIGE-JGRMKTMXSA-N	584.698	5.300	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408834157	TXRPESVMYAYTCA-HZHRSRAPSA-N	652.770	8.569	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC	408836467	RMJFJIFNPVFYHM-FYJGNVAPSA-N	521.411	6.290	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OCc3ccc(C)c(C)c3)cc2)cc1	408836935	XBOJQECSLUBYHC-OGLMXYFKSA-N	581.510	8.078	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408844933	PSZPFMUWZZOVDY-JAVXJAORSA-N	657.929	8.536	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408848272	VMBQLCCXDOACMY-ODQASSKESA-N	768.862	8.789	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408849976	CCFRSSVRNUCVOW-FDVSRXAVSA-N	564.392	6.184	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(Cl)cc1	408852101	IFNTXFSCKRWYJB-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408856562	KRBQBTSNBJAAPD-FXMZOFOKSA-N	779.992	7.510	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408864743	YXBZDJCFLMHFIW-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)c(OC)c1	408870017	ULVCDXRXUBOTON-SSDVNMTOSA-N	598.437	5.428	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccccc1Cl	408883826	WTPUSFIGTNVRMK-XDHOZWIPSA-N	604.726	7.697	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccc(Br)cc1	408887888	UQHMWZASLWKOJS-CPNJWEJPSA-N	521.367	5.671	50	40	KKGB	
O=C(Oc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1cccc2ccccc12	408890425	SXELSJQBEUHKIR-STKMKYKTSA-N	500.554	5.445	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)c1ccccc1	408923631	JVXNXSCWGWZUST-GOJREDGKSA-N	548.602	6.947	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c(OC)c1	408924088	NQHJVRAAGLTGMY-YGRCFMMQSA-N	764.457	6.462	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Cl)c(Cl)c1	408925884	RPMPGCXKXHNEDN-UVHMKAGCSA-N	540.856	5.142	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccccc1C#N	408943109	GYFUUGIILZYBHX-NDEPHWFRSA-N	697.011	5.438	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)c(OC)c1	408951220	IAUBDJTXKSMBKD-RFYYFMECSA-N	777.012	5.651	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408951616	MAZKCTLLQXPIQP-MTJSOVHGSA-N	518.386	5.914	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12	408954878	ZXRRURDELCIQFO-YTTGMZPUSA-N	626.710	5.443	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408957009	ZQMVOGAJYBJWSS-UUYOSTAYSA-N	544.405	5.473	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OCC)c2)c(OC)c1	408958697	ZXPICTVEYZERSZ-XZNIKZDNSA-N	745.627	6.309	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408972520	UUQXAGJWEMTKAA-HDNNTFNPSA-N	516.425	5.622	50	40	KKGB	
COc1cc(C)c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1C(C)C	408973579	ZABBSTBPCGMNSX-UCZCKNJVSA-N	570.517	6.079	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1	409003750	UQMNIOBJBUZXEU-KCSSXMTESA-N	570.443	6.301	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	409004151	WSMCWFGTOCBPOZ-UJEJHLKSSA-N	515.953	5.310	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1	409019320	WJAWQLQZCDIXDC-KOGILGOZSA-N	643.568	5.858	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl	409026276	KSVAMVBUBCHPOY-LUOAPIJWSA-N	562.306	5.624	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OCc1ccccc1F	409030007	BLUSDFPQZPAFSG-IDWIKUEFSA-N	545.614	7.121	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c(Cl)c1	409053269	NVHIINHDWGZOCX-BRJLIKDPSA-N	502.752	5.662	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409064762	FFPFVPURPUNVMJ-WOJGMQOQSA-N	575.868	6.041	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1cccc(F)c1	409070787	ZGPTYNPNBVXZMM-CIAFOILYSA-N	510.487	6.706	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1OC	409109820	MAWNGINUNOZKHY-VFLNYLIXSA-N	600.908	5.014	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409116581	VOLVWFNOCPYIKD-XZYGTATASA-N	728.618	5.417	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)cc1	409152551	FTXBPYYUQWJSJS-VWJSQJICSA-N	574.943	5.030	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1	409174134	LLEKMQPXYWJLLI-FJEPWZHXSA-N	601.885	5.170	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1Cl	409183584	DOVACRGQGFLRRD-KVAAJVFYSA-N	707.430	6.698	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	409184213	FRTVLDJEEPOXSD-KVSWJAHQSA-N	552.252	6.181	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409191698	LAIWGFABUWPMAX-FJEPWZHXSA-N	517.840	7.117	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1OCC	409217953	GDCGGKIFDLDZHN-UHFFFAOYSA-N	720.573	6.508	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)ccc1OC(=O)c1ccccc1	409223849	IXHXESHHHYRJHE-UHFFFAOYSA-N	595.608	5.255	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1	409248430	KGMWBZMNQAEFHF-VBNMEBLOSA-N	619.151	7.337	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1	409257195	OVBMDRYIOKGOMM-XJECJHNESA-N	675.008	8.059	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409259278	XZQPTTORHMUIMS-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409265579	VQZFZOBRKKZQMI-LICLKQGHSA-N	669.825	6.925	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)cc1C	409268335	ZAYCFVWVJUYACA-ODLFYWEKSA-N	504.930	5.428	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409268461	TZSMEMKLTROTQH-MUXKCCDJSA-N	500.382	5.482	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1OC	409322678	KLQKPGMBSWKWDX-WKIKZPBSSA-N	646.741	5.804	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409322929	LZVURARAONMYRB-VXKWHMMOSA-N	562.475	5.119	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OC	409324513	UPNVXIIRUARPSX-NUJZUDFISA-N	529.376	5.608	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)=C(C#N)[C@@H]1c1cccc(Br)c1	409331001	CBLNAPPKQVLJJY-OALUTQOASA-N	647.267	5.340	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(I)c1OCc1cccc2ccccc12	409363635	LOZCFAPNTXVSFK-MZFJOGFUSA-N	592.477	6.677	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409394933	HRORQUGVLYAMKW-UHFFFAOYSA-N	676.951	7.568	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395180	KRXZLFSVXOTALO-UHFFFAOYSA-N	634.845	7.102	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396184	FDECGFWQVCHLMN-UHFFFAOYSA-N	600.502	8.086	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397007	DXXXKWBLFUIROH-UHFFFAOYSA-N	606.893	8.177	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397649	MHDFHCWGGIERDI-UHFFFAOYSA-N	677.349	7.360	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(Br)cc1	409398323	CVDUIKDWNIZNSC-VHFSBPNMSA-N	662.968	8.034	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(C(=O)O)cc1	409405730	UZEHZEOVNYRYBT-ADJDCTSUSA-N	706.977	7.732	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccc(OC)cc1	409406853	DIAGRMUBMGWABN-IDWIKUEFSA-N	607.663	6.657	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccccc3)o2)cc1	409409070	MMYBWKPGVOCFMS-FZKWRIDDSA-N	568.029	6.903	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)c(I)c1	1529547841	PRSVZRUBSGODBE-DGJBIAEHSA-N	698.583	5.064	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	1529548036	WEWFLXHDRDZIHM-HNNDCAHOSA-N	657.627	5.291	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	1529549199	VCFHDGJDVFSPSN-ROKSKZBTSA-N	672.547	5.366	50	40	KKGB	
Cc1cc(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1CSc1ccc(Br)cc1	691802	CUGRJFOXSPRZLL-JYFHCDHNSA-N	529.507	6.952	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	1246809	KHTKMKADFCHRSE-NDEPHWFRSA-N	542.661	5.866	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/C(Cl)=C/c1ccccc1	1754616	KHAZEJDVGCIJDN-VAYXRYNXSA-N	511.097	6.458	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1	2210283	HTMBGNZPHIQWRS-STBIYBPSSA-N	520.058	5.128	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2ccc(Br)cc2)c1Br	3059784	MVOHZDOKUNZEAL-NUGSKGIGSA-N	547.085	5.935	50	40	KKGB	
CC1=C/C(=N\NC(N)=O)[C@@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H](C)[C@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	4266925	NJXPVAVICLRJJI-OWWLGICTSA-N	545.765	5.847	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9763751	WTRIGIZDAKQYIP-MTDXEUNCSA-N	503.628	5.466	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)NN(c3ccccc3)c3ccccc3)n2C[C@H]2CCCO2)cc1	12617213	OROQLTFMIKPUTP-RUZDIDTESA-N	515.639	5.094	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1cccc2ccccc12	13387965	BAYKQVWIJZXVST-FYJGNVAPSA-N	513.937	6.535	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2ccc(Cl)cc2)cc1	20059153	KFUCQBXXGOGXFN-OCSSWDANSA-N	518.038	5.246	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(/CC)c3ccc(OC(F)F)cc3)cc2)cc1	34780277	IDYYIEUBSLQZCZ-NFFVHWSESA-N	517.554	5.032	50	40	KKGB	
Cn1c(-c2ccc(/C=C/C=N/NC(=O)c3ccc(C(=O)N/N=C\C=C/c4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3)cc2)c[n+]2ccccc12	59364611	FDTRPVQXNHYJAQ-NTDMWKNFSA-P	684.804	6.033	50	40	KKGB	
COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OCc1ccc(Br)cc1	59445089	VKDIKHKTQJYQRA-LGJNPRDNSA-N	503.780	5.219	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	59886414	BDJLZFXZNDQWGI-KVSWJAHQSA-N	575.352	5.266	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl	97944546	DOMYLHNAUXKQCZ-ULPWCQAASA-N	543.204	6.717	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(Br)c1O	97965051	WUBCJSAFHUSELX-YIXHJXPBSA-N	560.223	6.220	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100119038	XKSJKKLVCPYXKA-JIDBWQTOSA-N	577.537	6.939	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1	100122704	YVSBPSCABNOLNB-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccccc1	100220997	NUPQTCXIEYOYDI-RUMWWMSVSA-N	573.671	5.019	50	40	KKGB	
CCOc1ccc(C2=C(/C=N/NC(=O)c3ccc([N+](=O)[O-])o3)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1	100239262	AWYOQFKCQRKCSA-NBCFERAOSA-N	527.508	6.077	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2cc(C)cc(C)c2)cc1OC	100303921	VSKJZHRZQXNOJH-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(Cl)c(Cl)c1	100477840	MYTSJPFCPMEXLH-HNSNBQBZSA-N	555.421	7.790	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1OCc1ccccc1	100744293	JTKGILYBIOKIIY-BUVRLJJBSA-N	542.616	7.721	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1	100858488	LNYUMEAWORPWLI-BIZUNTBRSA-N	557.720	6.093	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1F	103890545	PAIRJBXRINKLGZ-YVLHZVERSA-N	611.238	7.260	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1cc(Br)ccc1O	104316863	WVRDBMSLFMKSCT-HDDKTPPPSA-N	619.436	5.581	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342045	ATBGYGMCHOTLAS-UWTATZPHSA-N	692.016	8.387	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c(C)c1	216041325	PJBLJINNSNLNSE-QDTIIGTASA-N	703.156	6.547	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1	408537923	IBYACEIXKMXUGL-LFVJCYFKSA-N	559.449	7.706	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408540594	AFVRNYHLRSSZLA-UXHLAJHPSA-N	562.648	5.051	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408545254	WYZOINMIBNHATI-IMRQLAEWSA-N	509.606	5.124	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552093	OBCLJOKPYQVUOP-VWDPFFEDSA-N	574.770	6.456	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(Br)cc1	408552784	VGZJUKXHNUCISP-OYKKKHCWSA-N	563.289	8.407	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408565797	AOJRNYXCZOJFER-IDUWFGFVSA-N	552.201	6.742	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	408580369	OXZTWYWNHRATFW-WOJGMQOQSA-N	593.248	7.078	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408580623	QAKQUNNAASCCRY-RQZCQDPDSA-N	533.300	7.550	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cccc(Cl)c1	408598790	JSOMOIPKCVEXQZ-IUXPMGMMSA-N	676.517	7.955	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc(F)cc1	408710844	PCZNFKCUXRGRKX-KBKYJPHKSA-N	679.065	6.140	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccccc1Cl	408726036	OUPBGYHPYMHYFK-YVLHZVERSA-N	560.775	5.783	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)cc1	408753150	IDWWGIFCAUBSHN-GZTJUZNOSA-N	531.815	5.724	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cccc(I)c3)c2C)ccc1I	408781598	CPOWYFNPAPCRAJ-WYMPLXKRSA-N	583.211	5.376	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408787804	GNOSLFUKEXHPAJ-GIJQJNRQSA-N	662.234	5.873	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408788151	IQENORNWUREYAE-REZTVBANSA-N	605.670	7.206	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(F)cc1	408791119	UJKOAYDHBKSATK-WOJGMQOQSA-N	511.347	5.817	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12	408793814	GSDRJXQKLPEYAV-HYARGMPZSA-N	517.412	7.670	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)c1	408794025	HDEKEZFTWWAXAG-RGVLZGJSSA-N	587.255	6.795	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408794539	JLNAZADSMVCZOU-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1c(C)ccc2ccccc12	408814469	VPJOBUNZJJWTTD-ZVHZXABRSA-N	602.472	7.503	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1)OCc1ccccc1	408817384	NGDHQLHQXXXIEJ-HDQUPXCUSA-N	581.072	6.388	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(C)cc1	408818812	QRHGEMWZYGQIOS-NUJZUDFISA-N	586.280	7.008	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	408821004	BGQZMVYEJSLAPT-OCSSWDANSA-N	568.051	5.105	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408824906	BTKNLQAVHOHAMY-XPGZBYHPSA-N	568.721	6.501	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCc2ccc([N+](=O)[O-])cc2)c1	408836581	SRSFILCNYYNNJF-LFVJCYFKSA-N	570.001	6.960	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839161	NZCFBXHQGGTMQE-MHDJOFBISA-N	662.953	8.221	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1cccc(C)c1	408839710	VMACDUCFRWVAPU-ODNPBWNPSA-N	702.618	8.517	50	40	KKGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	408840541	ZEKQDXBPHDHRGA-CCVNUDIWSA-N	520.998	5.523	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4ccccc4F)cc3)cs2)cc1	408840583	ZJZYEQFOVIAJHI-DPNNOFEESA-N	536.632	7.344	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	408857658	LNTKGKPUVWPMLS-AFUMVMLFSA-N	508.452	5.061	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)n1-c1ccc(C(C)(C)C)cc1	408861667	UNYNIHHRBHPYNT-XAZZYMPDSA-N	586.545	6.903	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	408864320	YOJUWBNZETZRIC-LLKRNFLQSA-N	526.574	5.393	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)c(OC)c1	408869135	RRBVRFSMVGBROJ-ZVHZXABRSA-N	512.993	6.313	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(C)c(C)c2)cc1	408879008	ACZZOTMAVLGNRE-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408879547	GVTLQUFRZLBNDH-VIZOYTHASA-N	626.088	7.551	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408885139	XVZUZHOBQQAEEN-FMFFXOCNSA-N	559.018	5.353	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	408889068	DFJVSCRYYTXUIM-JJIBRWJFSA-N	559.043	6.541	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)c2)cc1	408900589	WKADALWWOVZTCO-CXUHLZMHSA-N	532.361	5.523	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408905612	ZVRAPYBAJKCRFP-WKIKZPBSSA-N	630.351	5.595	50	40	KKGB	
CC(C)COc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408971013	COHMHRIAYHBVBL-GPFBZUENSA-N	556.490	5.673	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	408972215	NQVBJLFQCXTDEC-WTFXCJRASA-N	648.587	6.925	50	40	KKGB	
COc1ccc(COc2ccc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)cc2)cc1	408982931	ZUQSIWWSWWJCBQ-PUFQGMHOSA-N	507.590	5.286	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc2c(c1)OCO2	408985753	YJLLGOKOILFRQD-VXLYETTFSA-N	569.839	6.663	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(SCC(=O)Nc3ccc4ccccc4c3)c([N+](=O)[O-])c2)n1	408987512	BFUFBPIMHNPHJS-WSDLNYQXSA-N	511.563	5.540	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1	409007424	WKCVSMBZIBZDRX-RRVKPBQCSA-N	559.405	6.595	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)ccc1OCc1ccc(I)cc1	409019772	XVXAIWPLHNBCRL-NUJZUDFISA-N	616.253	5.710	50	40	KKGB	
C#CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409030101	DPJSJWNJQKSAAP-MUFRIFMGSA-N	563.249	6.203	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409044127	NYZUQLVKBMYJCK-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)cc1	409062935	DBUGTCSUSDVRKR-BIZUNTBRSA-N	521.573	5.522	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccccc2)cc1OC	409112366	FYKUXFOSGCNNEA-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409136403	UIPVWEGWLNAELL-KVAAJVFYSA-N	684.102	5.067	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(C)cc2C)cc1	409185088	RWQDOLARUVGVDC-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12	409207906	CKQMCXKMDHIDRK-XODNFHPESA-N	511.434	5.829	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409217169	ABRYMAHVVCAQSE-MHWRWJLKSA-N	511.321	5.465	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409220166	YWWVQFMXZQCSLU-LJUMEUDFSA-N	532.383	6.229	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)c1	409223753	HDYMKXXLECMCFU-XHUYUCAKSA-N	548.555	5.538	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1cccc(C)c1	409229502	PZDYLVFJLTWGBX-DEYGKZMTSA-N	519.439	6.520	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(Cl)cc5)c(Cl)c4)cc3)cs2)cc1	409253449	GFWQVEOFTNYOFN-QMRORBIVSA-N	630.557	7.950	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)c1	409261872	FQXREUGHCPBQSO-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1	409262247	GAEVKXKGAUJOSB-MFOYZWKCSA-N	544.822	6.527	50	40	KKGB	
NC(=O)COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409272617	RAKYMUGFBCSZKB-KNBZMSCYSA-N	663.779	6.360	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1OCC	409317441	PZQRXVCVCBNQID-BVMLUPFRSA-N	565.932	7.011	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Br)c1)C(=O)Nc1ccccc1Cl	409378454	PJTNODJKULHVHN-LFIBNONCSA-N	528.765	5.805	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	409381944	ILNMTUWJICLUDX-AEUUOICLSA-N	670.589	7.415	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	409390031	BQPHNQYZKBHLPO-FJEPWZHXSA-N	522.830	6.397	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccco1	409394661	DHQLPVOGKMMUGH-UHFFFAOYSA-N	625.248	7.075	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409395999	VAJDSGDENPEYML-UHFFFAOYSA-N	708.306	6.914	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)cc1	409396065	VXBSPTZKQLQYTN-UHFFFAOYSA-N	514.541	5.698	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409396068	VXPZUVUGQVLSLP-UHFFFAOYSA-N	709.733	9.560	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396841	BUXJVIZQELZKAL-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
CC[C@@H](C)n1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409402255	JLKQAFZXHBGIPS-DFDIYMMZSA-N	508.622	6.956	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1O[C@@H](C)C(=O)O	409402625	KHWHIMCDNFWBFE-VOEGGJIGSA-N	658.933	6.697	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OC(C)(C)C)c([N+](=O)[O-])c3)o2)cc1	409404245	PNJXCCZTJOYGBB-ACXHZZMFSA-N	565.026	6.769	50	40	KKGB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)o1	409409350	NXLHYQHWZSHPME-KYHGBAKBSA-N	537.572	6.297	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccn3-c3ccc(Br)cc3)o2)cc1	409410456	XHCXQRKWADNNFD-MNBJERMJSA-N	557.448	6.583	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1	1776920	QKAJNHDOBMTLQN-LGJNPRDNSA-N	542.480	5.889	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)n2-c2ccc(C)cc2)cc1	1828688	MYIJWJUQBLLHKV-FDAWAROLSA-N	535.677	5.596	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl	8427208	JANANCSLNHAGFW-YZOKFQGHSA-N	518.404	5.409	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc[nH]2)C(C#N)=C(SCC(=O)Nc2ccccc2)S1	8781300	KXHKOFWBJZPFAY-XMMPIXPASA-N	504.612	6.004	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	8812556	KGPYUNBGWWOEHY-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc3ccccc3c2)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1	13174266	AKOGSNLCLYIQQS-SANMLTNESA-N	500.023	6.294	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	33721083	CDANEOGLMVBUEE-PDGQHHTCSA-N	501.505	5.087	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)cc1Cl	59401567	YTSUDJKYRRZFDS-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1cccc(NC(=O)c2ccccc2)c1	59473504	KKIKFBULJHUERG-UZWMFBFFSA-N	514.050	7.039	50	40	KKGB	
O=C(c1coc2ccccc12)[C@H](/N=N/c1ccc([N+](=O)[O-])cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	96022147	PHIWJQOQUDDZBS-KDZHFJGBSA-N	570.565	7.628	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	97960845	SPYGAEBULFFYEW-MHDJOFBISA-N	530.411	6.803	50	40	KKGB	
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2nnc(SCc3ccccc3)s2)C2=C1C(=O)CC(C)(C)C2	98007276	MNZAFPPKCGCBSE-LJAQVGFWSA-N	554.701	5.186	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccccc2)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccccc1F)c1ccccc12	98008276	NSSJPZANIYKKPC-UUWRZZSWSA-N	540.598	6.331	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccc(C)s1	100110873	QQMPZUYEUGQHCX-AREMUKBSSA-N	530.675	5.772	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	100125102	LVBMESSXPXBPIA-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Oc1ccc([N+](=O)[O-])cc1)[C@@H]2c1cccs1	100141869	YKPYVLXFNGAFTL-AREMUKBSSA-N	503.580	5.878	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	100336738	NGTYDGCAHINLFL-ZDLGFXPLSA-N	546.748	6.505	50	40	KKGB	
N#C/C(=C\Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1	100747532	VRZHDYWTAIBHSD-NBVRZTHBSA-N	520.839	7.434	50	40	KKGB	
Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)nc2ccccc21	101120845	IFGIZIDZZLCRNT-XIEYBQDHSA-N	525.587	7.208	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1Cl	101273325	NIMSGURHUPNCBX-HSZRJFAPSA-N	558.885	5.900	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1	103884859	STJQCZZTPYOSGF-XHPQRKPJSA-N	552.472	6.437	50	40	KKGB	
CCCCCCC(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C\C(=C/c1ccccc1)CCCCCC)=C/c1ccccc1	104166756	FOVDUZMLIRPKAK-GKNAMAJYSA-N	626.930	10.419	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	107366847	ZAYUAVQPBABDMU-WQRHYEAKSA-N	540.345	6.020	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCC[C@@H](I)CC(F)(F)C(F)(F)F	169795286	UTMQRYBQCYDSAK-RNFRBKRXSA-N	588.005	6.939	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl	207052736	GPHAOXHAIWOBMM-ZDLGFXPLSA-N	512.349	6.425	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408540172	OCCBXBDCIKGCEN-OHUYPAJKSA-N	549.454	7.314	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1	408611472	RBEQZYAMDIAWPV-CCVNUDIWSA-N	500.382	5.232	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1	408637696	NBUPFXFZIAHOOC-DWACAAAGSA-N	545.994	6.548	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1	408660728	WTMBMZRXLQANAA-KPIIRZJKSA-N	629.132	5.011	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)c1	408743532	AUSPMXRIAJYEOB-GRSHGNNSSA-N	555.812	6.324	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1	408746517	ZRFBHDBFZHEVRN-UYRXBGFRSA-N	603.254	6.577	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1	408756771	XEANRZXXNHRDOT-VTNSRFBWSA-N	583.442	5.085	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408786503	RLCYUQMXZPAKFK-CHHVJCJISA-N	515.178	5.609	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(C)cc1	408787567	BWVRELHMVAOJOH-OVVQPSECSA-N	504.586	6.707	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1cccc2ccccc12	408790503	PSVPXJCFIGOFPH-MWAVMZGNSA-N	554.646	7.942	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408792972	MWALSGLGDOAAEJ-RQZCQDPDSA-N	651.198	5.929	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Br)c1	408795971	NUQMHQXNSXNJDF-DJKKODMXSA-N	574.700	7.607	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1cccc(C)c1	408796325	ORLADRQLNSBSHU-FYJGNVAPSA-N	538.385	6.123	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Br)c1OCc1ccc(Br)cc1	408802218	YMVQJQWPSBJVTB-PYEYENBVSA-N	576.329	6.791	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1	408812959	PZSFFEQDBVKFRF-DEDYPNTBSA-N	539.813	6.404	50	40	KKGB	
Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(CN(Cc4ccccc4)S(=O)(=O)c4ccc(Cl)cc4)o3)n2c1	408826898	UDPQQDRGMICXIV-ACXHZZMFSA-N	576.078	5.353	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408827126	KHVWYSPLPALWKU-LGUFXXKBSA-N	579.483	8.850	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(C)c(C)c2)cc1	408832729	ZWFLNBYQDKRTAR-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408835680	XXUQHZUJGNPQGF-HYARGMPZSA-N	642.764	9.113	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408840190	YIXZUAPIMXUQML-WKULSOCRSA-N	611.246	6.040	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1cccc2ccccc12	408842314	KEWCSBZZNBDWGT-CHSHITCJSA-N	677.624	9.129	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccc(Br)cc3/C=N/NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)sc2c1	408845974	QDGAZILHKDTRBZ-IRWBXMRWSA-N	715.840	9.168	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1	408846448	SLILMULYLSXKBC-QNVXDBMFSA-N	686.497	7.935	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1O	408849342	XXTHQUAPRNCSPQ-CCVNUDIWSA-N	551.466	6.493	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccccc3/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)sc2c1	408849419	YJQXVPDMVFRINQ-DPNNOFEESA-N	568.054	7.099	50	40	KKGB	
C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408861761	AIGKYDCXHPBMSG-GUBAARJWSA-N	671.179	5.126	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc2ccccc12	408865273	COKDAFHHQHKGCI-LPYMAVHISA-N	550.964	8.035	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2cccc(C)c2)cc1	408874789	AUNKDIDLNIQWQU-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(C)cc2C)cc1	408876294	OKSLQTWJYNLEHY-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1	408877132	QDLCEIMTPCWSRD-WVKHYPTHSA-N	701.632	7.479	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1	408898909	YIPRFPAUJQFESW-GZTJUZNOSA-N	507.886	5.030	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408899853	RCSUHLJLPKWSJW-LUOAPIJWSA-N	631.546	6.979	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408905115	TXCIIEGYRQDNAE-ZRGSRPPYSA-N	592.244	6.171	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Br)cc1	408912194	PYHIGLSJHGKASR-BIZUNTBRSA-N	572.459	5.161	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1I	408964312	QSCKDAIGOHENCD-VFLNYLIXSA-N	549.290	5.525	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)ccc1OC(C)C	408969419	NIZFEKRWFXHYLN-QBQMGADZSA-N	587.342	5.992	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC	408970514	ARMZRNMCMVZNEC-SYGNGKJYSA-N	623.331	5.418	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408985734	YFQNKELPADRVHP-IUXPMGMMSA-N	580.693	7.851	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)Oc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	409007662	YTNWQSKXWRVEKQ-LZXVHXDBSA-N	569.957	5.850	50	40	KKGB	
CN(C)c1ccc(/C=C/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1	409010298	BVRUBNGJUACMCJ-SHVGQUPYSA-N	538.183	5.295	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1	409010597	CPJMCZKYEPSOHD-UGFRYCICSA-N	625.572	7.284	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1C	409026528	RMCJWFOGIPKQFV-DPGRRRKKSA-N	558.704	5.808	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cccc(C)c2C)cc1	409029320	ZAVMZYBWPLLSGV-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)cc2c1	409185101	SKIPLDSRTZGKMQ-HPNXWYHWSA-N	604.504	8.483	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2cccc(Br)c2)cc1	409185619	NLXBAUXTTGENJK-LBTISBENSA-N	663.594	5.359	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409186086	WKVIXFZRNXMVQH-XKJRVUDJSA-N	561.413	5.336	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(Cl)cc1	409188556	DCQRIHDJGOGVCW-OPEKNORGSA-N	567.621	6.116	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3ccccc3)cc2)cc1	409219767	QBDJTIOQNJAARP-ZUXCKLAVSA-N	538.003	6.283	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409225703	NXFIZZPDYPIWND-FYJGNVAPSA-N	639.446	5.348	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1	409241447	XOMRTNVAZNOGAU-VBNMEBLOSA-N	530.249	7.119	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)c1C	409260092	KNRKAXSQBGJNKQ-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409264930	HCRRPFRAIUIHPL-QDTIIGTASA-N	636.284	5.461	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1cccc(C)c1	409268469	UDEOIXSUVPPGLN-MWBNBJEGSA-N	626.138	7.306	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc(Cl)cc1	409310341	AKALFFVRYLRTBF-APTWKGOFSA-N	545.035	6.669	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1OCC	409323124	NLMUEIKFLHAYQO-APTWKGOFSA-N	545.035	6.808	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OCC	409323992	QPSFJYRHABXTMA-LJUMEUDFSA-N	596.478	5.511	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(Cl)cc1	409343143	HPKCEAQNIGBJOR-MFOYZWKCSA-N	582.517	8.271	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)ccc2O)Cc2ccc(Cl)cc2Cl)cc1	409369403	MNRVFDMZHXEPSA-KKMKTNMSSA-N	585.307	5.111	50	40	KKGB	
COc1cc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	409370732	AUJCVEIVUVYMLM-DLCNMLRHSA-N	691.431	6.685	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccccc1F	409384391	CAPAXPQMJKLSQR-KKMKTNMSSA-N	513.934	5.954	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)cc1OCC	409395820	SCPFXOKEKFBEIO-UHFFFAOYSA-N	733.457	8.757	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396294	KFUBHDKKMSCNDN-UHFFFAOYSA-N	671.364	8.839	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397631	MDFPJFBOGFAIQH-UHFFFAOYSA-N	563.997	7.226	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397856	OSKVDQGTHKTONU-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409398785	VSQAEPNZBBNJBG-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)O	409407504	ZYKZIVCFRRAZRL-BVMLUPFRSA-N	657.461	5.497	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	1529547751	OTNQMQFZIUOOLM-MKEMXLLOSA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2ccccc2F)c2ccccc12	1529548288	BZAFFOQGMKSBHD-KCSCOJLBSA-N	613.715	5.022	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc2ccccc2c1	2097302	USBHZXBMRDYYOM-ABMUTNKWSA-N	506.635	5.664	50	40	KKGB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccc(Cl)cc1Cl	2440214	PDTHUFLUDMJBIS-YVLHZVERSA-N	528.870	5.089	50	40	KKGB	
COc1ccc(/C=C(C#N)\C(O)=N\c2cc(C(F)(F)F)cc(NC(=O)/C(C#N)=C/c3ccc(OC)cc3)c2Cl)cc1	3204008	GGKBIPKEQWSXPO-UHWBUFEVSA-N	580.950	7.117	50	40	KKGB	
CCOc1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc(OCC)c1OCC	3224084	BXJMMYNZIMPJCF-BIZUNTBRSA-N	538.604	6.246	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc([N+](=O)[O-])c1OCc1ccccc1	6134804	OLAGSOWETVSPCF-SPFJJUEISA-N	587.633	5.107	50	40	KKGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)C1	8400096	NKOHUIVKVFKBDS-OEBSBLQASA-N	506.238	6.148	50	40	KKGB	
N#CC(=C\c1ccccc1OCc1cccc2ccccc12)/C(O)=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F	33517240	UKTXMEIUOFNJBK-KGENOOAVSA-N	517.463	7.541	50	40	KKGB	
Cc1c(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	33715703	IYLKIDCJWXOQAY-PNQUVVCRSA-N	509.393	5.596	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	59647335	PIIJOOKSJOQDFC-AYTBHPOOSA-N	612.752	5.159	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	97939460	MKQGVDFIWAQZCU-DICXZTSXSA-N	541.420	5.782	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1	97964233	WVMHRRKAMWETCZ-DMWWXTJWSA-N	582.682	5.353	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc2F)cc1	100124068	VJNDBZJCVFSRBF-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)c2C)c1	100124401	AMGWGFSGBPSVGP-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343768	WHTTVDNIRZIWAB-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccccc1Cl	100853141	UTWZMWLHWOKWGE-AJBULDERSA-N	532.113	6.826	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100991294	MNYNVDGISUUWMN-YMGIJWJESA-N	552.881	6.476	50	40	KKGB	
Cc1cccc(C2=Nc3ccc(Br)cc3/C2=N/NC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)c1	101090427	IYYIIJJZQZRPNS-BNIPGBBVSA-N	552.472	6.265	50	40	KKGB	
CC1(C)[C@@H]2CC[C@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2	102010327	QCDAPCLAWUINIF-DFJNRHBBSA-N	527.513	6.250	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccco1	102760953	VUUMJBRQLLQFBQ-MHZLTWQESA-N	570.671	5.698	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3[N+](=O)[O-])cc2Br)c1	102933424	BABUDMDFRAFLHH-VCHYOVAHSA-N	571.225	6.553	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(F)c1	103890469	DASLHOVGFVQJNG-MFOYZWKCSA-N	564.238	7.418	50	40	KKGB	
C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)COc3ccc(N(CCCl)CCCl)cc3)CC[C@H]12	104118645	MMEUDKGOHJDRKZ-CAMWFRIWSA-N	565.582	5.782	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc([N+](=O)[O-])cc4)(c4ccccc43)[C@H]2C1=O	112255011	HLVXIFWXKAFHRS-SYKHQLQBSA-N	605.050	5.452	50	40	KKGB	
CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341751	RHVLWEBCYIGSTH-MRXNPFEDSA-N	870.404	13.551	50	40	KKGB	
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@H]1CC[C@H]2OP(=O)(O)O	255961755	ADFOJJHRTBFFOF-RRPPUSTOSA-N	520.390	5.299	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	408539442	HRNWWTBEWIATIZ-YZSQISJMSA-N	539.031	7.361	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(I)cc1	408545330	XXKAZXIWKDNMDZ-ODLFYWEKSA-N	554.340	5.123	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc2ccccc2c1	408550036	CTRCTFPAZFIDJR-ZVHZXABRSA-N	519.626	6.785	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550268	CFWKOTLXULTTMG-ODLFYWEKSA-N	524.404	6.182	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408553619	OQWHHBIIAGZFSM-YBEGLDIGSA-N	530.795	6.219	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCc1cccc2ccccc12	408566248	FJRFPBKFKDGWAG-QFEZKATASA-N	509.403	7.516	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408581094	UKBQHUOLJJIMIR-RGVLZGJSSA-N	512.787	6.843	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCc3c(Cl)cccc3Cl)CC2=O)cc1	408602540	DQDNLYNFYVJWBO-KRWDZBQOSA-N	544.435	5.476	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl	408607577	DQTRIUISMSHPPE-AMVVHIIESA-N	534.827	5.391	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1	408726106	PFDHGUYRAMGJER-GRSHGNNSSA-N	522.355	5.799	50	40	KKGB	
CCOc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OCc1ccccc1	408740229	APOLZTVGOXJFGW-JMIUGGIZSA-N	527.422	6.435	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)c2-c2ccccc2)cc1	408743700	ULNYALIEASHKPI-JEPNHJGPSA-N	659.378	8.205	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1I	408746252	CZFFZGGFUZKRLH-BRJLIKDPSA-N	521.786	5.433	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(I)c1	408753280	GBQUAUAGVXMLLK-MDWZMJQESA-N	509.130	6.404	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OCc1cccc2ccccc12	408763776	KBIXAXRQWZAPLP-RIFWXKNHSA-N	638.584	5.952	50	40	KKGB	
C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1cccc(Br)c1	408766365	CNLWIINOLKRUKM-YYYGAUAXSA-N	508.441	5.377	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408787584	CCUWNACLPAPKFD-YBFXNURJSA-N	629.261	6.421	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(I)cc1	408791854	DLIWIUQFTCQNOW-WOJGMQOQSA-N	637.699	7.230	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(OCC)c2)cc1	408792477	KDPJHVIUXHFSTE-LPYMAVHISA-N	593.421	6.085	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)c(C)c1	408796817	QBLKDJKBCMCZNY-UFFVCSGVSA-N	659.265	6.509	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)c1	408798280	VMILPZFFOBWOEY-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	408800765	QTXZCHUWEZRPJX-XHLNEMQHSA-N	524.620	7.852	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccccc1C#N	408817238	LAQIDUISUWHBNZ-GRSHGNNSSA-N	553.331	5.435	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(F)cc1	408819667	QYJJNAGMFGCTOJ-ICUTVXMZSA-N	547.630	7.333	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc34)cc2)cc1	408827238	KNHSJJJRUTVACK-OVVQPSECSA-N	593.510	9.159	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408829145	OLALTOKWSXUHIO-AATKOCIRSA-N	793.873	8.670	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408829634	KHGLHFUHZNBMPZ-ATZGPIRCSA-N	645.952	6.010	50	40	KKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl	408830001	XVPCODANXLJPOR-DEDYPNTBSA-N	525.830	7.014	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408830186	OJTQPWJCKUYEMJ-STBIYBPSSA-N	522.026	5.396	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408833810	ZARYKBAHFQTERA-XODNFHPESA-N	547.902	6.382	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408838878	JPCWJVDGCOWDAH-KULFSUQXSA-N	666.970	8.496	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841622	FTHPNCJZOKRHTO-KKMKTNMSSA-N	501.826	7.278	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	408845787	RQFQOEFYTXBGNT-IRWBXMRWSA-N	812.393	8.540	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)COc4ccccc4I)c3C)sc3c2CCCC3)cc1	408846495	NRBSOMQMNYDDHT-FZPRHHONSA-N	666.585	6.729	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)OC	408848183	QQLBHLHHYPPXCF-DXJNIWACSA-N	511.578	5.167	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C	408856843	RIPNFMFQLLWFCV-UCMJSZAQSA-N	547.615	6.541	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(F)cc1	408858601	QRGBJWJJEKWRSM-DBFSUHOCSA-N	590.243	6.839	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(F)cc2)cc1	408868663	NIRCKPCMSZWOSI-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408869966	UQUOYSIEFZYMJX-QXUDOOCXSA-N	650.595	6.506	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1Cc1ccccc1Cl	408875120	DGBLGAPNSOYLBB-RGVLZGJSSA-N	509.831	6.864	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccccc1	408877709	TYBKFFPUEQZRDW-WSDLNYQXSA-N	506.986	5.558	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2F)c(OC)c1	408880853	LAMRHXSEFFKFHJ-UDWIEESQSA-N	509.375	6.284	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1Br	408881339	KTAZBOUUETXTGH-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408887431	OKHJUHKNVDWKFH-HMMYKYKNSA-N	529.530	5.070	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1	408892113	GFFXQDTXGURPBM-QNKGDIEWSA-N	584.101	5.994	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408906216	BAVZNPFLZOVNLR-BKZXGXTDSA-N	574.475	5.989	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OC)cc(Br)c1OCc1ccccc1F	408924669	NNNFQJWRDNDFPV-XDHOZWIPSA-N	553.384	5.898	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408944866	JTVGAWYKZMSSSF-HHHXNRCGSA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(C)c2)c(OCC)c1	408951476	UFXOEFCKGSHUNW-PMERELPUSA-N	695.636	5.620	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408956674	XXCNVASDGITZJA-XKZIYDEJSA-N	587.474	5.531	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)n1	408990370	KWLAMIIFYJUIBQ-XUSFVVOESA-N	612.693	6.096	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	409012909	JELKYNHESKSNPK-GPBCMOQFSA-N	647.353	5.422	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccc(Cl)c(Cl)c1	409014378	PEOWAFOQIXBGTJ-CCVNUDIWSA-N	559.302	5.684	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OCC	409020137	MCNVEFYCVOJTAC-OPEKNORGSA-N	693.073	5.579	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409036239	BCEFBUCJRWLJNQ-MNDYBZJGSA-N	566.839	6.024	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409043561	MZBAOZLPIPVIHA-KDHRXPGNSA-N	623.782	8.266	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(F)cc1	409126673	MLTPCCDFFRETQR-HSZRJFAPSA-N	511.347	5.490	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	409135571	ZFOKUCCPZJEWSC-WCMJOSRZSA-N	681.383	6.351	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cccc(C)c1	409155409	QYISQDGFNGVZPE-XKJRVUDJSA-N	655.276	5.021	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)CCCOc3ccc(Cl)cc3Cl)o2)c(Br)c1	409157446	MSQQTLCSZJVTCV-FQIDLJTGSA-N	623.375	7.165	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409162394	DNMHBQZZSLOBJG-KVAAJVFYSA-N	623.548	5.372	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409171629	BINQUPFLIONAAZ-XODNFHPESA-N	599.252	6.348	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)c1cccc2ccccc12	409182478	LNIDXCAZPQKLDT-KQCMOEFESA-N	616.504	7.113	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409185117	JJSAVCFXARXYRD-STKMKYKTSA-N	619.541	5.746	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)c2)cc1	409220040	SXUQYJQDRQMJHH-UHFFFAOYSA-N	507.546	5.239	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2I)c1	409239550	HGGPHHHRLRYVEO-JLPGSUDCSA-N	536.413	5.835	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)c1	409257468	PEKBNZXMGJYRLH-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1OC	409312901	NAYQOBDDHSIRPJ-YNFMAFFXSA-N	556.273	7.441	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1OC	409317215	SRAKLKAVMRGCFI-ZMFRSBBQSA-N	612.296	5.069	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	409371551	XCLJTZJGHGWFPS-XJECJHNESA-N	691.007	7.760	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409376971	DAODINPJBOCCPB-FJEPWZHXSA-N	667.329	6.000	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCc1cccc2ccccc12	409383840	KGQNESHJHXIDRO-HYARGMPZSA-N	573.537	8.846	50	40	KKGB	
O=C(NNC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409384136	BIEPNGAIGFLNTF-IZZNHLLZSA-N	766.003	5.927	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409395250	LNMUXMWTZSKEII-UHFFFAOYSA-N	765.083	9.412	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(C)=O	409395834	SFOOYOJNRFOARD-UHFFFAOYSA-N	752.359	7.119	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)[nH]c12	409395962	UNYHGZYCKCPARK-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409396888	CMCXHWPAHKNOSB-UHFFFAOYSA-N	626.418	8.152	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397523	KUTNKTDZGSQHQB-UHFFFAOYSA-N	690.934	7.370	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccccc1Cl	409397965	AMUUVNLCSIOVHU-VHFSBPNMSA-N	662.968	8.034	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409397973	PVJPEDFHYZXCMT-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409398157	RGQTWBKYTGHXRG-UHFFFAOYSA-N	611.098	6.945	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(O[C@H](C)C(=O)O)c(I)c3)o2)cc1	409400150	BRBCOLZLYADPCR-TXLLAZTHSA-N	753.331	6.091	50	40	KKGB	
C#CCOc1cc(Br)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409401472	HDNHHVFGLVVBTF-LJUMEUDFSA-N	576.447	5.813	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3)o2)cc1	409405025	RTISDLIXOMPRDR-AEUUOICLSA-N	686.519	6.718	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(OCC)c1	1529549002	RSSYJNLFGYHBHS-IZQZZFRNSA-N	699.599	5.451	50	40	KKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1OC	1244884	JJJVYWCGNNCFQJ-SDNWHVSQSA-N	510.369	5.673	50	40	KKGB	
COc1cc(/C=N/c2cc(Br)cc(Br)c2)ccc1N(CCCl)CCCl	1703949	QIBZOXRCFJMDBN-FSJBWODESA-N	509.069	6.255	50	40	KKGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	3230009	OPNPICLNKYEMQB-LJAQVGFWSA-N	516.622	7.277	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136367	WSVGRSLQYIDBPC-LGHMVOHGSA-N	580.877	7.857	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)N=C3CC(C)(C)CC(O)=C32)cc1	8387672	ONIHSLKWGBOOAI-DEOSSOPVSA-N	508.043	6.626	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	8411367	CYZAHBPAWCGUHG-VWLOTQADSA-N	549.578	5.807	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@H]4[C@@H](C3=O)[C@@H]3C[C@H]4[C@@H](Br)[C@H]3Br)cc2)c1	8450137	BDXBQJJDNYPETK-NAZAJNFNSA-N	547.287	6.193	50	40	KKGB	
CCCCOc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)c1	13174191	PYVVHKUDXRDDRE-VWLOTQADSA-N	521.708	6.364	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1C	16735511	NHFCYCIDLWXORC-NBVRZTHBSA-N	515.367	5.412	50	40	KKGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	19951041	YORCLBUFYJJHJP-UHFFFAOYSA-N	514.648	5.567	50	40	KKGB	
CCCCCC(/C=N\NC(=O)CCCC(=O)N/N=C\C(=C\c1ccccc1)CCCCC)=C/c1ccccc1	31670054	YQOPSLWEKCUJDY-ZRNQFVLVSA-N	528.741	7.689	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2C)c2ccccc2)cc(Br)c1OCc1ccccc1	97962948	SOULRPZDIRXSCW-MCJRRVPSSA-N	571.515	7.212	50	40	KKGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)CSCc2cccc(Br)c2)c1C	100100636	HSYSCVXYMNWQMJ-RPPGKUMJSA-N	549.332	6.311	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	100128478	DJGDSSMKWPHZET-RDRPBHBLSA-N	565.493	5.202	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1Cl	100232817	GNILGSBGNHRGAB-WQRHYEAKSA-N	546.248	7.279	50	40	KKGB	
Cc1cc(C)c(CN(Cc2ccccc2)N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1	100279441	NARNPQIIUJDIRN-UHFFFAOYSA-N	515.661	7.028	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	100973835	LWVULMHVBMIJPB-MUFRIFMGSA-N	532.691	5.276	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1	101656060	JOGBBMLNIDLTIO-LGJNPRDNSA-N	587.297	5.407	50	40	KKGB	
O=CNC(=C(SCc1ccccc1)SCc1ccccc1)P(=O)(c1ccccc1)c1ccccc1	102431468	CDQZQGIAYJGRAX-UHFFFAOYSA-N	515.640	6.740	50	40	KKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c1C	103843008	SGZVVCJDUPYRQJ-RPPGKUMJSA-N	533.264	5.959	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)c2C)c1	103895473	WOOJXUICFXFRTC-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/CCCC/N=C/c1ccc(N(CCCl)CCCl)cc1C	104078466	XUGNPAKVJGUPLR-WXGDAXOSSA-N	572.452	7.190	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl	104953925	FTQUCDSEUCCRMA-MHWRWJLKSA-N	536.242	7.824	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1OCc1ccccc1Cl	408541219	CAXIGRILNJTUHE-UCQKPKSFSA-N	516.981	6.290	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1cccc2ccccc12	408542593	MLECSLPTAVSVHG-QRVIBDJDSA-N	571.427	6.824	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550885	HXGKBWHIIXTZKI-YVLHZVERSA-N	666.299	6.568	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408566622	ARSPFNXWKJIQGE-LQKURTRISA-N	553.662	5.580	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408602388	DHKPLMHDAVLQAY-GOSISDBHSA-N	514.409	5.467	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)c1	408642558	FAVYOGAXQFVUNF-IKIOOZCCSA-N	779.265	6.239	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408646744	UIBLXMDVSOCWDE-WWGKXEARSA-N	519.400	5.138	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Br)cc1	408661449	XCAFHIJXTPXTPW-YBZCJVABSA-N	673.583	5.121	50	40	KKGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408719913	POJWLBWXQAOIKS-MUFRIFMGSA-N	519.464	6.565	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408742572	AXSAXDZKRNLOGO-YHYXMXQVSA-N	500.972	5.225	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C	408743932	IJYDZVZZPPLTMW-IWIPYMOSSA-N	530.455	7.834	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408745372	RCLKMVSLJWSOBC-ODLFYWEKSA-N	647.263	6.275	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc2c(c1)OCO2	408747161	JTBCVIWSHCLZPS-IUXPMGMMSA-N	633.236	5.916	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408749333	FXDVGLKCVKPNMW-KCSSXMTESA-N	535.427	5.967	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccccc1Cl	408754209	JBCNXRGCPRHQAU-ZDLGFXPLSA-N	590.699	7.388	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OCC	408758738	QCMYEXSLBDCADK-ZROIWOOFSA-N	588.183	5.239	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1	408759285	BHMGCUNHDCUDJE-RPPGKUMJSA-N	661.166	5.823	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2cccc(C)c2)cc1	408769114	ODHQOLJHRNKZQX-UZWMFBFFSA-N	521.642	5.955	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc2ccccc2c1	408784307	AVVNEJJBSDAGQS-VAMRJTSQSA-N	543.667	6.412	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(I)cc1	408791257	VHLUKHYVEBZKEP-CIAFOILYSA-N	586.857	7.085	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1	408798682	WPULKCVYGYRUDO-VCHYOVAHSA-N	560.231	6.667	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1	408800274	LLLXYRQHRDOFRV-RSZPVBOMSA-N	540.255	6.575	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)cc1	408809730	HRXKJQRBAOHISC-FBHDLOMBSA-N	536.813	5.785	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(c1ccccc1)c1ccccc1	408809870	IBDQOHCHVCTKQE-KEIPNQJHSA-N	505.017	7.354	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Br)cc2)cc1	408810668	MNNXIQZKHJIMNT-DEDYPNTBSA-N	521.367	5.369	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)c1	408813250	QKNQWUZJKBMUFE-WKIKZPBSSA-N	542.227	6.609	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408821156	DAASCDSTTMKWMO-VFCFBJKWSA-N	603.516	8.614	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OCC	408829413	JMHSJSBSKJWAMG-IOUPCVQUSA-N	515.635	5.188	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408831610	ZWLOGSTXCZFTLA-MFKUBSTISA-N	628.479	7.378	50	40	KKGB	
COc1ccc(CCNC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408835550	NTRAKZBSKJZFOP-VHFSBPNMSA-N	687.602	5.112	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Br)c1	408837734	MKXROZBRLPTTRB-QNGOZBTKSA-N	610.917	6.632	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842928	KMTTULYJWZUNMI-AABVJFSESA-N	607.950	8.857	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	408856936	IHEWEKWCDYONII-DPNNOFEESA-N	672.985	6.044	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408866608	HELJZENSTBAUSY-KZBGWTBPSA-N	520.265	6.067	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Br)C(=O)Nc1cccc(Cl)c1	408867583	JBCXMASWVILNJZ-WOJGMQOQSA-N	530.647	7.001	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)c(OC)c1	408873734	WPJOHTKMTSXLQE-LSHDLFTRSA-N	562.420	5.149	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	408883568	QFRJOHKDGYTUNN-XICOUIIWSA-N	581.669	6.212	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408891660	AREOYNASGAVNKK-LDADJPATSA-N	511.361	6.166	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)ccc1Br	408904944	QURUNZXGTFNFMV-QDTIIGTASA-N	522.378	5.646	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924588	NBEPXULSPQSZRH-LICLKQGHSA-N	560.415	5.274	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1	408938763	ACPLSVPJWFPGAG-NDEPHWFRSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1	408944578	JAVKGNRNLZDGLG-NDEPHWFRSA-N	672.001	5.567	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1	408948795	GWWVMEDPCUKFEI-XKZIYDEJSA-N	530.422	5.784	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N\NC(=O)c5ccccc5OC)(c5ccccc54)[C@@H]3C2=O)cc1	408956710	RNXHTZWTPYKMNA-KQELKWKBSA-N	585.660	5.451	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408971298	FPELLBJHBGBYQU-UBBMEKCPSA-N	695.394	5.352	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC	408971941	MLMVPDQICCRTJX-GPBCMOQFSA-N	651.385	6.198	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409004659	XXZDWPPSPDWXLG-WCMJOSRZSA-N	566.397	6.221	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1	409014072	LXJGUALFJXQGJF-ZLLQZOQYSA-N	645.562	7.089	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1OCC(=O)Nc1ccccc1	409014855	LMDYAWIUYQCOLX-XODNFHPESA-N	648.251	5.590	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)c1	409019618	ZYXGYAVTBHDLTK-KKMKTNMSSA-N	590.259	6.588	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)NNC(=O)c1cccc2ccccc12	409032018	BXUVYOLZQKKOLY-SAPNQHFASA-N	515.363	5.296	50	40	KKGB	
N#CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409034115	HGFMOWPYJQCCIF-NTFVMDSBSA-N	532.341	5.173	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OC	409035714	KAIHIZDCQDJTSB-RWPZCVJISA-N	507.015	6.378	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)cc1	409045148	FQRMFBSMYJKBRQ-MHWRWJLKSA-N	610.711	6.487	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccccc1	409046055	IJWVEFPZKFGUKW-LDADJPATSA-N	601.828	5.906	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1cccc(C)c1	409050079	ZXWLJYKPHNOQKG-LPYMAVHISA-N	609.464	6.178	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OCC(=O)Nc1ccccc1	409055060	HYHIJMMHBXFUPL-LDADJPATSA-N	518.367	6.071	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	409058080	RCBKNAHIVWTBAS-VCHYOVAHSA-N	544.218	6.784	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	409075244	QCKJQLSUVPPZSL-KGENOOAVSA-N	556.562	6.064	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409193995	JZSPWHWBICYILH-RPPGKUMJSA-N	517.763	5.152	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1cccc2ccccc12	409201198	MJCKYJGFPWVXRQ-FJEPWZHXSA-N	616.908	6.928	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12	409219393	PWXABOKNNDHNTA-TULUNMAASA-N	614.916	6.542	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)cc1	409224819	MFMGGFYUYPXBEW-RGVLZGJSSA-N	508.405	6.482	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccccc3)cc2)c1	409224977	MXHAGSGMIZJFEB-CKGKGIOMSA-N	548.555	5.538	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1	409232453	HWZVUPXVVGOTCP-HAHDFKILSA-N	553.884	6.736	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1	409235624	CMZFDAVPLCEHGU-MUXKCCDJSA-N	503.343	5.398	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409248143	GHMWABYGVZVXAH-WCEBZYJUSA-N	536.382	5.729	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Cl	409256752	PPKPZTKPXOSQBK-JAIQZWGSSA-N	508.405	6.482	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409259171	XUYWWMMYDAFWPB-MTJSOVHGSA-N	503.986	5.837	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)ccc1OCc1ccccc1	409314033	DVAKLIMZDUTMOD-FZPRHHONSA-N	666.468	5.929	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1OC	409314480	RLLHODTUNROIPY-NUJZUDFISA-N	594.275	6.491	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1OCC	409322604	MCLPFDJDSDSPIF-APTWKGOFSA-N	589.486	6.917	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OCC	409323041	MHZONJVAXYOUBJ-ZMGVVAQMSA-N	669.343	7.303	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1Oc1c(F)c(F)c(F)c(F)c1F	409331033	CBHRJPCGDSRYHC-NTEUORMPSA-N	523.421	5.887	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccc(Br)cc1	409371576	XFHPGKFFWIWWIK-NHDPSOOVSA-N	538.239	7.125	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409374878	AWEGAGSQWXUFJL-IDUWFGFVSA-N	598.122	7.193	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	409383455	YBWUTCBOAJPJQB-VHFSBPNMSA-N	700.615	7.423	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394803	GBVREJLTNJDXGS-UHFFFAOYSA-N	755.077	9.957	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Br)cc4c3-c3ccccc3)cc2OCC)cc1OCC	409396144	CXDJNLOLOABWFE-UHFFFAOYSA-N	705.005	8.430	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396512	UYGJDLQEKHAAFM-UHFFFAOYSA-N	666.052	7.906	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409396700	AGEQLKRWUNVSDV-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409397324	IRDHRXMARDJXJT-UHFFFAOYSA-N	568.029	6.797	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)c(-c3ccccc3)c2c1	409397504	KNRYZVYAQBCAMQ-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397716	NDCBHHBMQGDVIU-UHFFFAOYSA-N	545.639	7.088	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398145	RDPFKUHQFZVJLF-UHFFFAOYSA-N	642.108	7.204	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(OC(C)=O)c(OC)c3)c(-c3ccccc3)c2c1	409398614	UVEIYPQSGHKONQ-UHFFFAOYSA-N	591.620	6.151	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc2c(c1)OCO2	409399162	IENAJMJUGPDIJH-RODHXAHZSA-N	628.081	7.000	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OC(C)C	409400003	MXUANVYEBHFWTM-ACXHZZMFSA-N	536.028	6.479	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2[N+](=O)[O-])cc1	409400392	CSBTXGVQGISIIR-AEUUOICLSA-N	657.521	7.588	50	40	KKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409402975	XZEARMJXQNGHNF-MFNYRUALSA-N	515.610	6.216	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3ccccc3F)o2)cc1	409404367	PZTBYWALHFDZSG-QJOVZPHJSA-N	580.660	6.814	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1	409410075	SXQZKUCOCGQUGE-HNSNBQBZSA-N	578.581	6.157	50	40	KKGB	
CC(C)c1cccc(C(C)C)c1-c1ccccc1[C@@H](CP(c1ccccc1)c1ccccc1)N[S@](=O)C(C)(C)C	1857795185	RUXRACBSTFDZFD-QLKHQFKLSA-N	569.795	8.826	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccc(C)o1	1293755	VWPWNJFIFCYGTK-SANMLTNESA-N	593.503	6.066	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1	1804749	APBTZYDGQUZZPN-BRJLIKDPSA-N	515.085	5.888	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)N(c3ccccc3)c3ccccc3)NC3=C2C(=O)CCC3)ccc1O	2204170	QFLKCHDAKFKINX-LJAQVGFWSA-N	537.641	5.928	50	40	KKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	2238188	PCGMZCLUVBLMAA-OKRIBVEGSA-N	522.457	6.675	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2311577	UOXGNSGJIYLDOP-STBIYBPSSA-N	515.639	5.188	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	3213333	VKDNEMKULKWGBK-RDRPBHBLSA-N	520.010	5.484	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1Br	4017828	RJTFFXMEDSLDBW-HCBMXOAHSA-N	641.980	6.403	50	40	KKGB	
O=C(c1ccc(Cl)cc1Cl)N(/N=C\C=C\c1ccccc1)c1nnc(-c2ccccc2)c(-c2ccccc2)n1	8653448	BKCRTUKFUYESPB-KMGUINSUSA-N	550.449	7.858	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1	8717766	HAJFEVCWCQYDMK-CKVBZJJFSA-N	504.409	5.514	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C	17150222	XIEVIBMQECCSRB-ROTLSHHCSA-N	511.332	5.284	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc(C#N)cc1	20195284	IFKRGJCLFBFKNX-OKCVXOCRSA-N	520.427	5.608	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3cccc(C)c32)ccc1O	36629360	DVQDGUZAZFIVAF-VQNDASPWSA-N	517.629	6.928	50	40	KKGB	
O=C(CCCCCCCC(=O)N/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21	97959598	YUJCESYAMMIJQA-UHFFFAOYSA-N	612.301	5.276	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(C(=O)O)cc1	97960744	PZPJREPSSUYHPW-QRVIBDJDSA-N	544.007	5.763	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	100128535	WOVXPWDXZVOOII-RDRPBHBLSA-N	565.493	5.202	50	40	KKGB	
CC[C@@H](Nc1cccc(Br)c1)C(=O)N/N=C\c1ccccc1OCc1ccc(Br)cc1	100157793	KYNDUKCXDXQFSU-RJNBOEKGSA-N	545.275	6.131	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240772	LVXDBFYGXXNGMO-UZWMFBFFSA-N	592.073	5.304	50	40	KKGB	
C[C@@H](O/N=C\c1ccc(Br)cc1)C(=O)N/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3	100924738	CUMJYOZMQUFLHK-ARSUJKOVSA-N	563.246	5.432	50	40	KKGB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccc(OCc2ccccc2)cc1	101007723	YPEGKCQVMYJZOF-JQEHKKLVSA-N	557.697	5.264	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C(F)(F)F)C3=C(O)CCCC3=N2)cc1C	104101206	KAWHKGLFVPLQHT-XMMPIXPASA-N	511.569	6.964	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccccc1	105720584	LANILOASPDCSGX-YBFXNURJSA-N	595.462	6.236	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	112255780	FKUYTPXTICOINA-KKMKTNMSSA-N	567.223	5.945	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164734850	VQEQNNKWEXPQLU-NSIKDUERSA-N	696.981	8.792	50	40	KKGB	
O=P(Cl)(C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	250644804	JIHPPJSLRGZYDH-CQQAPZHSSA-N	510.678	7.476	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cc(Br)ccc3OC)c3ccccc32)c1	408542016	JAXWACGZYWYESQ-CCVNUDIWSA-N	520.383	5.011	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Br)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408544932	WDSISXBQINMFQR-XYGWBWBKSA-N	531.450	6.727	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408551401	COFDCJAPRXGEIT-NKHVPTTDSA-N	650.975	8.295	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccccc1C#N	408568256	IQEQVSUTHCMHOT-OCKHKDLRSA-N	517.358	6.378	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1cccc(F)c1	408570847	ZHJFUARWXYPTCC-IPPBACCNSA-N	591.524	6.184	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408644838	TVMGZTLZBCWRKZ-LCBMMCDXSA-N	683.191	5.142	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	408682287	KSYBQTWNKPQIIN-XVMGYKCHSA-N	566.677	5.183	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OCc1ccc(Cl)cc1Cl	408725736	JFDQJPQPPQEGCU-VYVUJPJFSA-N	628.250	5.477	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2I)c1	408744927	IHQFPPJZKLFLPO-ZDLGFXPLSA-N	654.673	6.982	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)ccc1I	408747419	NQAIRZVBZLNJNG-ROTLSHHCSA-N	613.237	5.384	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)ccc1I	408748184	ZQASVSWCTJSXMP-AUEPDCJTSA-N	559.585	5.740	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408754540	NWJHOBCKGLWDIL-GRSHGNNSSA-N	555.812	6.324	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccccc1	408754869	OUZYRWBKYRLBOF-KEIPNQJHSA-N	530.709	7.048	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408759297	BRHJXQXBMOWWHZ-WKULSOCRSA-N	562.514	7.033	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC	408760152	SKJFWHZRWJDNQV-DHDCSXOGSA-N	551.178	5.010	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3cccc(OC(C)C)c3)c2-c2ccccc2)cc1	408778979	OAXFNBCGMBLGAM-DFKUXCBWSA-N	595.699	8.321	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1	408783773	MRBBMPCCRUHYPO-MOHJPFBDSA-N	502.014	5.573	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(C)c2)cc1	408792060	HEFJWVCNYOZMIM-FYJGNVAPSA-N	505.368	5.669	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F	408792855	LTFCHXYSDVGVOQ-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1C	408801282	UREHDKFSBDBDNJ-XQNSMLJCSA-N	511.419	7.344	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	408805349	AIUUIDMYFQVRTI-CPNJWEJPSA-N	518.356	7.179	50	40	KKGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408819982	SHKNRWDWWGHDNK-AFPJDJCSSA-N	592.025	5.725	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1)S(=O)(=O)c1ccccc1	408826902	DMAGWXLCBKOBOM-WVKHYPTHSA-N	685.177	6.964	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1	408833534	RTMMSWDTUZUSAF-NLRVBDNBSA-N	519.557	6.607	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1	408838369	DUSSFOZFBHMGJR-HNSNBQBZSA-N	568.054	6.719	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	408849548	ZFAVLZHIKXRHCO-KLRVQTHGSA-N	637.317	7.391	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(F)cc1	408853109	LPERVEGFVBUJQI-SGFZWYBVSA-N	587.695	8.062	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2ccc(C)cc2C)cc1	408861602	TUZNUKPMFFYKNT-UBJCUSJWSA-N	612.752	5.214	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408864767	ZSIAFYYQMHMINL-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1Cc1ccccc1Br	408871866	YLWYRPKXZVZMBZ-YBFXNURJSA-N	588.727	7.709	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cc(Cl)cc(Cl)c1	408876410	OMFJHZXWEXROHU-UVHMKAGCSA-N	540.856	5.142	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408880537	IEACZPWJRDWNCW-RIYZIHGNSA-N	539.844	5.411	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1Cl	408888692	ZCHGLMVHUNVITO-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1ccc(OC)cc1	408891050	KLXCOAGVSGMDHI-XDHOZWIPSA-N	580.391	5.838	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408897571	YHQZMXWVANZTCT-CXUHLZMHSA-N	547.192	6.789	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)c(OC)c1	408921624	BBUMFVDWGIACRT-XZNIKZDNSA-N	745.627	6.309	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(OC)cc1	408921855	CNRKDXPQMYOYSD-RCCKNPSSSA-N	506.580	5.024	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c(OC)c1	408922611	GCWKLQGYVFJZSY-QUAGKQNASA-N	762.661	7.303	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1ccccc1C	408922678	GLGNESMOGKHBKH-CCVNUDIWSA-N	531.834	6.161	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(C(=O)OCC)cc1	408945818	LQSLVNUGMCSXDL-PMERELPUSA-N	709.619	5.090	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N\NC(=O)c2ccc(Cl)cc2)c2ccccc21	408947876	BNMAXIBNYFECHJ-VPTZOQJTSA-N	607.022	5.223	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O	408969139	IAJOZXLYAXDESV-SYGNGKJYSA-N	623.331	5.505	50	40	KKGB	
CCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408969649	RMMBIWZVHHNVAG-CSYMUEKVSA-N	528.436	5.037	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408972324	RLSGQQULXBDHSX-SMHPFWDTSA-N	544.479	5.994	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1cccc(C)c1	408977730	FJRKQINKQDDVRL-ODZASTSJSA-N	547.652	5.143	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc2ccccc2c1	408987558	FSHSFTBCCWHXIN-YSMPRRRNSA-N	571.902	8.417	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc(Cl)cc1	408993217	VEAXXMWAZALFJB-NVMNQCDNSA-N	641.630	6.891	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(C)cc2)cc1	409006109	MBWHADHTLVXVKD-ZIGIQDIVSA-N	575.621	5.945	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409009235	CGTQOHUGLBAPLT-AEVGBRMKSA-N	725.478	7.235	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1	409015905	PJLYUHCRTXHGMR-BIDUXAHPSA-N	575.449	5.919	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409037113	SMBFDJBTVPHSHY-QLQYKETESA-N	568.702	8.358	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409073249	GLDLPVAAOMFGAL-GHRIWEEISA-N	517.390	5.705	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409121423	WVXRCVDRIWRFQI-ATZGPIRCSA-N	657.532	6.143	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(OC)c(OCc3ccccc3Cl)cc2Br)C2=C1CC(C)(C)CC2=O	409147062	UYZHVKABZTWQPL-SANMLTNESA-N	600.941	6.073	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1Cl	409214581	YIMILZPHASQGAV-KKMKTNMSSA-N	554.293	6.586	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409218816	LCRTXLUTVHMGAD-KYHGBAKBSA-N	591.407	6.066	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409224797	LZVVNRBYTMPEBZ-YBFXNURJSA-N	524.404	6.182	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1	409225482	QCUZAWPOZXWKPL-LICLKQGHSA-N	514.796	6.518	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	409231534	JRBLENCFYMMOQI-HAHDFKILSA-N	509.433	6.627	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409247125	BHADFNQTMCYQJX-PNQUVVCRSA-N	677.164	6.900	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1OCC	409311613	BKTYIHBUWNLGEJ-DICXZTSXSA-N	587.383	6.009	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1F	409368787	MVUQARZHOFGLFA-PPDIBHTLSA-N	573.271	5.236	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409371826	PQILWYJZWPFFEG-NVMNQCDNSA-N	510.300	5.917	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	409372767	JRVFQTATXQTMKT-WCMJOSRZSA-N	531.996	5.600	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409386538	MJFQTGNJCQENFT-BKUYFWCQSA-N	523.416	6.951	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)[nH]c2c1	409392798	SAAXLEJDAXBPIN-PXNMLYILSA-N	667.672	7.077	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396116	BPPOXMXABKPZFL-UHFFFAOYSA-N	596.083	7.496	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OCC)c(OCC)c4)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409396604	YTCRFHSBPYWTKZ-UHFFFAOYSA-N	670.162	8.066	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1[N+](=O)[O-]	409400216	CBQNYYNMHGALMF-ZDSCIVGOSA-N	574.590	5.269	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1cccc2ccccc12	409400740	FHDTTWXXLJYCCI-BOABNOFISA-N	692.610	8.923	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4ccccc4F)c3)o2)cc1	409405123	SEIXQEUJSPBRPV-FZKWRIDDSA-N	537.591	6.748	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)o2)cc1	409409744	QSJSMYBHMPNVSU-FZPRHHONSA-N	550.615	6.166	50	40	KKGB	
CCOC(=O)N=c1ccc2c3ccc(NC(=O)OCC)cc3c(-c3ccccc3)n(CCCBr)c-2c1	409419467	HTAUGXOVLBRBAT-UHFFFAOYSA-N	550.453	6.824	50	40	KKGB	in-vitro
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1	1529548416	FWZIREQQTZNENA-AYSITGFNSA-N	734.442	5.815	50	40	KKGB	
BrCc1ccc(C(=C(c2ccc(CBr)cc2)c2ccc(CBr)cc2)c2ccc(CBr)cc2)cc1	2049305442	KCIORTLGKIWOOO-UHFFFAOYSA-N	704.138	10.274	50	40	KKGB	
CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1	2056817	IMGLJLUGYOFZTN-WKULSOCRSA-N	588.296	6.257	50	40	KKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)c1	3140447	CRCSMMZOYUNAEJ-LIMNOBDPSA-N	563.084	5.641	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	4081813	KHRVNOADCOPUQD-FYJGNVAPSA-N	510.396	5.967	50	40	KKGB	
C=C(C)[C@@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@@H]1SSC(C)(C)C	5553657	JWNOBNLNGXPONA-XHWIWGEHSA-N	604.794	6.176	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(SCC(=O)N/N=C/c2ccc(N(C)C)cc2)n1-c1ccccc1	8396253	PIRVYMAFUWAZAD-OKCVXOCRSA-N	625.540	5.101	50	40	KKGB	
Cc1noc(C)c1CSCC(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	13098565	QNFXLTYIBOJXGI-KVSWJAHQSA-N	505.518	5.154	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1	19939900	TUGFKSHXSZBIKD-LJAQVGFWSA-N	522.674	6.264	50	40	KKGB	
C/C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)=N/NC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C	22860147	YBLFDPKPNCWRAT-PMTRXZNDSA-N	524.507	5.953	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(Cl)c(Cl)c1	26123530	WVRHNLNCGOUTRD-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
N#CN1C[C@@H](CI)[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1	95707815	WQEMREJSEOLXRY-NKWVEPMBSA-N	568.115	5.579	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1	97939485	VGGSBNWSXIYJKE-QRQIAZFYSA-N	551.028	5.527	50	40	KKGB	
COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2nnc(SCc3ccccc3Cl)s2)C2=C1C(=O)CC(C)(C)C2	98006061	PIPNFIONMRVVKC-HSZRJFAPSA-N	564.136	6.433	50	40	KKGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)c1	100100281	USYNKNAFZCGEPR-KBVAKVRCSA-N	546.534	7.362	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100124853	YHNVGSCPWHMPAR-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)Cc2ccccc2)cc1OC	100304281	BIBUZEHAQPZJEU-CAQPMQTCSA-N	595.121	5.106	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332007	QOOXGAZKDXQIMR-FDAWAROLSA-N	625.545	5.219	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1Cl	100912490	GTYAAEAQPKOHTI-RKZIHRPTSA-N	542.875	7.020	50	40	KKGB	
C[C@H](O/N=C\c1ccc(Br)cc1)C(=O)N/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3	100924737	CUMJYOZMQUFLHK-CNNODPEUSA-N	563.246	5.432	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccccc1O	100935148	MHSWQXSMGWFFIT-WTYJXDNXSA-N	547.998	5.012	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccc(Br)cc2)cc1	100989319	CMSCCVIJNXGPJY-FYAMCCBRSA-N	532.463	6.131	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl	101305221	NRQAAYAVYJNHEA-VWLOTQADSA-N	530.049	6.108	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	102808820	RKJPXRRGTCMQTG-NDEPHWFRSA-N	554.716	6.837	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(Cl)cc3)=C(C#N)[C@H]2c2ccco2)cc1	102808859	ZUDQJPMQHJOUKC-SANMLTNESA-N	549.052	6.038	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12	102933391	QHTVPTRMXWNGDN-HYARGMPZSA-N	619.415	6.876	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc(C)c1	103890056	CCWAJOPEOZQXPN-ZDLGFXPLSA-N	546.248	7.198	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1	103899377	FOEYNKLLSMTWNT-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
COc1ccc(NC(=O)CC(=O)N/N=C(/C)c2cc3cc(/N=N/c4ccccc4Cl)ccc3oc2=O)cc1	104290464	JOMLHMWSUULDLS-DOYRLPBLSA-N	531.956	5.739	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1	105586898	IKJAZMIIALBNJQ-BIZUNTBRSA-N	531.077	7.374	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CI)CC[C@]4(C)[C@H]3CC[C@@]21C	118931431	YYROTNSLTVSUFV-MSPKVBQNSA-N	554.597	8.375	50	40	KKGB	
c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCO3)cc1	140992438	SILYLKHINIIMMN-UHFFFAOYSA-N	608.658	7.421	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341818	OIIYUOGYWNENLG-IBGZPJMESA-N	712.457	12.180	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341831	ARFZJASQOZWUOK-LJQANCHMSA-N	812.471	13.451	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2c(C)c(Br)c(O)c(Br)c2O)cc1	150348372	UWRPIAUKOJGUGX-OOVISYKSSA-N	644.364	5.699	50	40	KKGB	
O=C(OC[C@H]1O[C@@H](Br)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	150351637	WISFGQOOKBVKPD-IXYVTWBDSA-N	659.485	5.640	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)S(=O)(=O)c1ccccc1	150383964	HSFDJQNFEWKATK-KEIPNQJHSA-N	648.141	5.553	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc(Br)cc1	211040240	WYBAAOLFFNFREA-WGOQTCKBSA-N	534.863	5.223	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	224678635	IHFQDNXQXWDGJI-FAOGAKCWSA-N	539.013	6.500	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](c2cccnc2)[P@@](=O)(O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)O[C@@H]2C[C@@H](C(C)C)CC[C@H]2C)cc1	251735002	JBWIQTGKLBLKDA-YEAQFJBASA-N	650.797	9.387	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc2ccccc12	408533978	UJDRSRHJPQBRHN-QNVXDBMFSA-N	647.435	7.003	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408537487	FQBCKQOUWIVRSK-SNDAAJCPSA-N	719.263	9.536	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408540008	LRQXZZDFJVRDIB-RHKOWXKBSA-N	574.677	7.098	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408540266	PJSBAMYHISMSBS-APTWKGOFSA-N	545.035	6.669	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1Br	408540504	SPGGUAJUYTUXEM-CPNJWEJPSA-N	570.163	8.778	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c(C#N)c1C	408546333	HBDSKMJVLUUOSA-KEBDBYFISA-N	545.573	5.319	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(C(=O)OCC)c1C	408546433	JHTISZHCRUEHDB-XNTDXEJSSA-N	556.980	5.950	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1ccc2ccccc2c1	408549484	UJXXMOZDKRDQNG-JJFYIABZSA-N	631.226	7.831	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1cccc2ccccc12	408549954	CBTQUZKIYNWXPF-LPYMAVHISA-N	554.071	7.438	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1F	408550243	FEHISZUKJOQAKP-CFRMEGHHSA-N	502.383	7.783	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(C(=O)O)cc1	408551815	GGVVWKIDKKMVMG-RGVLZGJSSA-N	606.498	6.483	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(F)cc1	408552857	LBILTANWMJHFJM-YBFXNURJSA-N	536.028	6.814	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(I)cc1	408554221	QUKBRCRWVLMXFZ-YBFXNURJSA-N	688.385	7.389	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccc(Cl)c(Cl)c1	408588442	WGEAPUVZTAJTDR-WOJGMQOQSA-N	529.208	7.665	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl	408611935	SMSFXJRARGUUFR-HRXXRIAWSA-N	514.409	5.299	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1	408669492	HEZNEUBERJWSAR-SRABZTEZSA-N	574.191	5.384	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408678423	YXYBCZMDOVPDOB-WKULSOCRSA-N	530.825	6.185	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccccc1	408711866	OIJILJBHUNEAED-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1	408711994	UMGUJKHNDUMVPQ-MUFRIFMGSA-N	529.406	5.657	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408726442	SUSRCCQYGLNSTD-KZBGWTBPSA-N	614.265	5.751	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc4ccccc4c3)c2-c2ccccc2)cc1	408741367	IKSBBDBLNXCBEM-AUGOTPMTSA-N	535.647	8.127	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)cc1	408743458	FXXIBTXJYMZALU-NDENLUEZSA-N	617.281	6.886	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408767229	KHRZSSVTOKURSC-ZSOIEALJSA-N	604.288	5.593	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(Br)cc3Br)c2C)cc1	408767945	RILMXICOZZLCPT-WKIKZPBSSA-N	577.273	5.325	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(F)cc1	408792898	BXGGDODVVPCZMN-VXLYETTFSA-N	590.820	6.916	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408794336	RYEJMRYOMUOKKB-LICLKQGHSA-N	523.299	5.390	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(I)cc1	408818303	PKJFBGSQNFXXGR-XYGWBWBKSA-N	608.476	6.229	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc(C)cc1	408822732	BUZAFHZIGYBOEL-OVVQPSECSA-N	553.058	7.751	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3)cc2)cc1	408824469	QKXOJFOHXCJCBS-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408825520	KEBBYAAVHMMAQK-BUVRLJJBSA-N	743.823	8.809	50	40	KKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC	408827735	LZUGAKZFGMIWOR-KGENOOAVSA-N	525.432	7.306	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408828093	LLXJDTRLNWRKQU-XQNSMLJCSA-N	563.868	8.350	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408834418	ZNROPTMWGPTHSG-XODNFHPESA-N	615.333	5.260	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408838277	UGAKSWNKBBFDNT-FMFFXOCNSA-N	575.662	5.457	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccco2)cc1	408840052	AQBQZFDMCNNHHW-XAZZYMPDSA-N	667.881	7.054	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)c(C)c1	408842854	LHMNKEYXBOBCBE-XAZZYMPDSA-N	525.600	6.623	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1Cl	408845913	NORBMQMIMAKVMA-CPDSRJINSA-N	558.259	7.574	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1	408849218	ZDVHQOKIHXVUEK-RVDKCFQWSA-N	686.323	7.841	50	40	KKGB	
N#C/C(=C\c1c(Cc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	408866742	ILVSRFCPMRVRCB-LTGZKZEYSA-N	501.811	7.392	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1ccccc1C#N	408872346	DKPZQBYSYFGYRN-FOKLQQMPSA-N	576.447	5.539	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(Br)c1OCc1cccc2ccccc12	408874354	AMPKZBUASGTYRA-MWLSYYOVSA-N	503.396	6.262	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	408887970	VQDFKXLXMTXUFP-CPNJWEJPSA-N	610.291	8.073	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1cc(C)cc(C)c1	408896847	UFSVIOBNIIZAGC-KEBDBYFISA-N	621.302	7.738	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OS(=O)(=O)c1ccc(OC)cc1	408921861	CPPVNFLVONJVAD-PXLXIMEGSA-N	520.607	5.333	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(I)cc1	408924272	MKYYOFJHPFHXLR-LTGZKZEYSA-N	530.365	6.569	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OCc1ccccc1C	408927059	ZJNLPRDWNDKAMI-UVHMKAGCSA-N	603.507	6.039	50	40	KKGB	
Cc1cccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1	408949216	FBDJGFHBZOMPSZ-MXAYSNPKSA-N	502.206	5.863	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	408951989	UUADTUWPRYNZMG-NDEPHWFRSA-N	746.478	5.684	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2I)c1	408961230	BOKOEUMNWVZRGR-KKMKTNMSSA-N	681.224	6.202	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12	408971266	IABSHLATCFRWRO-KKHMAWIASA-N	544.479	5.994	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408985488	XCJZVUAAJOLSDH-GRSHGNNSSA-N	617.827	6.685	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C	408985756	YLNLILGSGHLIMF-STZFKDTASA-N	571.977	7.210	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1cccc(Br)c1	409011740	IGDOQAOSBLCHAR-KBKYJPHKSA-N	641.101	6.734	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409037014	MPUKFGPLTZDZJQ-DLCNMLRHSA-N	788.221	8.216	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccccc1	409052995	VQGOEMAXPDTCMI-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081496	PQNOSVVMDCCCPZ-OQLLNIDSSA-N	551.399	6.979	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2cccc(Cl)c2)cc1	409139800	CBPVYYCOQMVZAS-UHFFFAOYSA-N	534.122	6.321	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccccc2)cc1	409225913	SRFADLQDMUMARL-DXJNIWACSA-N	511.965	5.504	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)cc1	409225957	UFZQXZVBKASFQS-RQZCQDPDSA-N	525.348	5.773	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409228004	ZBAYKGXRIJGZSK-UHFFFAOYSA-N	666.282	6.355	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccccc1	409230494	DUIJYUWZFHKBLX-OBLBUWMUSA-N	585.252	6.483	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409251763	WAPKFAFOQWNNFA-FPJJECCMSA-N	505.958	6.010	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)ccc1OCc1ccccc1	409257072	NVMKIIRSEHSIGO-QJOVZPHJSA-N	616.114	6.806	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)ccc1OCc1ccccc1	409257139	QYPDTHOBXWQLCA-GXBUFBABSA-N	567.642	5.763	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409258214	UGMVSVYMRSIEKG-UUYOSTAYSA-N	518.013	6.145	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409310459	VAQXNHMMYQQUBM-LQNQUEJISA-N	686.952	6.062	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1OC	409311850	BUTKZWWINSQXIX-DBFSUHOCSA-N	629.278	6.357	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1OC	409321008	GGEAJUMORZPEEV-FDVSRXAVSA-N	545.405	5.737	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	409373882	VXUTXGAWGCJSGC-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409394996	IOIZSQQVRNHSKE-UHFFFAOYSA-N	647.869	7.151	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395762	RMAQPLQCKVHAKS-UHFFFAOYSA-N	764.736	8.923	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)cc1	409396097	WKLDNIPSVYOYHE-UHFFFAOYSA-N	645.941	7.309	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409396938	DDXBMGVJIVRCBZ-UHFFFAOYSA-N	659.436	6.160	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl	409397116	GKKYDQAOHXSXKR-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(OC)ccc(OC)c2c1-c1ccccc1	409397606	LUEKIQMFUUBOEM-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccccc4)cc3)o2)cc1	409400257	CIAUESMIJNVFTA-GXBUFBABSA-N	562.626	6.048	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(OCC)c1	1529548580	JJVJCLAPKYFWGK-IZQZZFRNSA-N	725.618	5.010	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Br)cc1	1531386392	AFTRVMHHFOWUKS-XZYGTATASA-N	628.523	7.380	50	40	KKGB	
COC(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)SSC(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)OC)C(F)(F)F)C(F)(F)F)C(F)(F)F	1565683395	PTMKQOJPJXPNJN-SOSBWXJGSA-N	946.316	9.249	50	40	KKGB	
Cc1ccc(SCc2n[nH]c3c2[C@@]2(C(=O)N(Cc4ccc(Cl)cc4)c4ccccc42)C(C#N)=C(N)O3)cc1	1273521	ATXBXLLXUCZMPW-LJAQVGFWSA-N	540.048	5.583	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	1888190	PQLKRBAXSRCYCE-YMGIJWJESA-N	518.982	5.622	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2cc(Br)ccc2o1	2156611	HMTWKDWDSQBHTN-FJEPWZHXSA-N	578.260	7.454	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(OCc3cccc4ccccc34)cc2)cc1CSC1=NCCS1	2410730	WDSUGPAMEQGYOF-KCSSXMTESA-N	541.698	6.527	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O	3088010	LTSPPKHNEIVQAI-OCSSWDANSA-N	505.486	5.590	50	40	KKGB	
Cc1cc(Br)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)c(Br)c1	4017886	CXCWBJFTVYASII-ATZGPIRCSA-N	666.322	6.488	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1F	5918293	NJNHPTHYMQKNJO-SANMLTNESA-N	520.029	6.756	50	40	KKGB	
O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	8431935	DCBFEYWOIPTXKW-WWIWEHRJSA-N	525.612	5.675	50	40	KKGB	
CC1(C)O[C@]2(CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)CN1C(=O)CI	8740189	RWFLLQUFBKGYBI-QSFZWOONSA-N	513.504	6.188	50	40	KKGB	biogenic
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccccc1	10476125	QYSYAESOILVCCE-MFKUBSTISA-N	500.336	5.033	50	40	KKGB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NNC(=O)C(c2ccccc2)c2ccccc2)cc1	20288740	AKCJDWNAWRNOMA-SLMZUGIISA-N	516.601	5.173	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2ccc(OCCCCC)cc2)cc1	28632262	CEIHRZBJMVRYAS-QBRCKEFASA-N	522.690	5.985	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](OC)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	36080562	KWWZFFIGJSWIPA-ZEIHTOAVSA-N	511.622	5.758	50	40	KKGB	
COc1ccc(Oc2ccc(/C=N/NC(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)cc2[N+](=O)[O-])cc1	50538992	ZOMIUOJEHVFYMO-OCSSWDANSA-N	553.600	6.328	50	40	KKGB	
CC(C)(C)/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)[C@H](SSc1ccccc1)Sc1ccccc1	68563056	KOQKBVRKOGYFRV-GOBFDFINSA-N	542.022	10.020	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)cc(Br)c3O)n2C2CCCCC2)cc1	97939500	HMOKEHJSODVVSP-UVHMKAGCSA-N	607.372	6.232	50	40	KKGB	
Cc1cccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OC(=O)c2cccc(C)c2)c1	98001556	WSORCENMMULBLS-WKIKZPBSSA-N	560.242	5.577	50	40	KKGB	
N#C/C(=C\Nc1ccc2oc(=O)ccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	100752132	WXWNHRFTCKUDQG-RVDMUPIBSA-N	518.348	5.762	50	40	KKGB	
CC(=O)c1ccc(NC(=O)[C@@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1	100848681	OSFBWDWTEGNTAL-MORSLUCNSA-N	522.075	5.514	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc(Cl)cc1	100853156	VEGXZIVPEQCYDN-GTWSWNCMSA-N	532.113	6.826	50	40	KKGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1	100931448	ZXRSJYKPJKMIAG-HZUVFDMRSA-N	559.544	5.760	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c(Br)c1	103878849	FWCMTONPFPSIAT-BIZUNTBRSA-N	538.445	7.548	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)o2)c(Br)cc1OCc1ccccc1Cl	104228732	LEDMGQKRNLQJSX-FJEPWZHXSA-N	585.907	7.339	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl	104953397	UMXMPKBROGVYJU-MHWRWJLKSA-N	536.640	7.534	50	40	KKGB	
Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N\c3ccccc3SSc3ccccc3N)c2c1O	150366463	UUSQTFOMYFJGOQ-CATFIOGKSA-N	748.923	10.702	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(I)cc1	150374950	LOHQEOHBCNPKJI-WKULSOCRSA-N	635.833	5.699	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CC(=O)N/N=C(/c1ccccc1)c1ccncc1	150490411	CYDNFYGLYFKJKC-ZQHQKPHKSA-N	646.535	6.227	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2OC)ccc1OCc1ccccc1	408539176	UOCHZFDZUMWSFS-QFEZKATASA-N	614.054	7.359	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c(C(=O)OCC)c1C	408547586	ZDZOQCROJRCIKY-MHWRWJLKSA-N	555.992	5.740	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCc1ccc(I)cc1	408552115	HJZSHXGACJJVCP-HZHRSRAPSA-N	649.554	7.355	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1nc2ccccc2s1	408554192	QQCFOKLTVNHNEY-OQLLNIDSSA-N	514.821	7.338	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408555549	XXADGDYYCNDYSF-LICLKQGHSA-N	565.026	5.863	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1nc2ccc(F)cc2[nH]1	408567480	FFZVJZOTJWWXPU-SXGWCWSVSA-N	529.740	6.603	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1OC	408580097	ADNDJUUEWKWHAT-QGMBQPNBSA-N	547.218	7.011	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC	408581175	HCTMLHINOLXQBR-VXLYETTFSA-N	525.355	6.026	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(Br)cc1	408581221	VEJXEPZLVHUCJM-LZYBPNLTSA-N	523.641	8.061	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccccc2)cc1	408642826	FHQSLTTUXGBSRP-GKHGQUPGSA-N	749.239	6.231	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(F)cc1	408652116	OKUULUATXWOXSX-BBCKRIEKSA-N	647.122	5.151	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408672227	MMPGTMJBZLIAII-ILHTXMRTSA-N	574.313	5.346	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccc(Br)cc1	408711960	SLJPJKKXHYBGCG-VULFUBBASA-N	579.232	5.795	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408740931	FDTITLCKMZOCTK-QCFMCPCVSA-N	552.590	7.743	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(I)cc3)cc2Br)cc1	408744407	FKTRBKXUVHIQNP-WQRHYEAKSA-N	619.253	6.196	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)NCc1ccccc1	408747410	NMSTVTXIRGJJJM-UWVJOHFNSA-N	525.786	5.634	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)NCc1ccccc1	408747435	NWNQLNOSHSVBHS-GRSHGNNSSA-N	563.222	6.400	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@H]3C#N)c2C)ccc1I	408773976	NKOURRQJSGEVGI-YPDQGKLASA-N	546.416	5.215	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408787443	AEMUOVDGEVPZHN-YDZHTSKRSA-N	620.297	7.276	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408788870	MQZXUECSFGPNOS-KEBDBYFISA-N	529.851	7.787	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Br	408789354	PDBKYPBXMXGPDC-CXUHLZMHSA-N	536.220	5.262	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408792836	CNWNRBYUTYFXIX-YBFXNURJSA-N	676.261	6.263	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1C	408794214	IJZXWEZEQIVQTQ-AFUMVMLFSA-N	511.419	7.344	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I	408795371	VFEJVXKDHAOGQH-VGOFMYFVSA-N	511.157	5.225	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC#N	408813101	FDPOSNYGIOEPLA-MYKKPKGFSA-N	521.165	5.023	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408835672	XWFYHCRZBWJCFX-LPYMAVHISA-N	642.764	9.113	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408839015	LQEMUFDJTOMOCO-OKCVXOCRSA-N	575.488	6.409	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccccc1C#N	408839896	WYKKJBRRNGTYNH-RQRWGXNHSA-N	734.019	8.425	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1	408844617	CQKMWTHBRJBGCN-MUXKCCDJSA-N	619.253	6.542	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4cccc(Br)c4)c3C)sc3c2CCCC3)cc1	408847475	NBZWMCQMTUNAKB-KQWNVCNZSA-N	613.581	7.903	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408848141	POPWKAWPAFPPBZ-LUOAPIJWSA-N	569.226	6.263	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408849682	XUSRBEBQYVYSJX-IDWIKUEFSA-N	653.533	7.865	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1	408866216	GNPKUGPBLBMWHZ-LICLKQGHSA-N	546.299	6.501	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Br)c2)cc1	408884118	VZQCQJASUOEZDO-CPNJWEJPSA-N	556.254	6.735	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	408885186	XQNXGQYOXINPPP-RDRPBHBLSA-N	528.074	5.481	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1ccc(Cl)cc1	408896191	QARBISCVQSCGDM-MZJWZYIUSA-N	509.971	5.342	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1	408898187	VMEXWTACNWJLDS-VCHYOVAHSA-N	512.349	6.425	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCc1ccccc1C	408921629	BFOJYTSNLCBYDH-LGJNPRDNSA-N	534.781	5.605	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3cccc4ccccc34)ccc3ccccc23)c(OC)c1	408947742	BGLVKCMEGZZKMQ-VZBBQDAHSA-N	672.738	6.301	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc(C#N)cc2)c(OC)c1	408950329	GVZXBKHYTKYSDG-DBXYLJAYSA-N	849.420	5.075	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(OCC)c1	408954211	YTVBLGHJWKJLFF-LJAQVGFWSA-N	763.054	5.807	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)c(OC)c1	408958653	ZTODVNAFNVYAGX-GPQOJQFPSA-N	802.420	5.233	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCC(=O)Nc1ccccc1	408964350	GHZJNLSAQBUGHF-CCVNUDIWSA-N	628.379	5.126	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(I)cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1	408964728	DKDDOFBSFVNOPM-PNQUVVCRSA-N	675.186	6.129	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408985718	YBZUQIJBEWLCIU-LSCVHKIXSA-N	550.269	8.132	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)c1	409024417	LAUKHWKMXSKPLS-LRGHTXIMSA-N	544.677	5.500	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(F)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409032958	CXTUVLZGBAOWHM-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCc1ccc(Cl)cc1	409034880	RGYOPPAJDFLAAV-GKVNEZTPSA-N	576.096	8.025	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2cccc(Cl)c2)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409043218	YHDZWVSRQGWREU-KCSSXMTESA-N	539.060	7.550	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409049347	QMBWJWNYNMMURA-LZYBPNLTSA-N	598.188	7.494	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCc1ccc(C)cc1	409064640	DTTTTZRUBFVWGL-YZSQISJMSA-N	510.590	6.034	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1	409070277	NTHUWMGFZDFJFI-MHWRWJLKSA-N	610.711	6.487	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc(Br)c1OCc1ccccc1	409111071	AVTDAQFFFKBNPT-JVWAILMASA-N	513.457	5.978	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	409117520	PBGOXZVQFLJWIZ-JEPNHJGPSA-N	656.588	6.715	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	409120987	XFEGINGLXGULAD-IPPBACCNSA-N	584.909	5.395	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)o2)cc1	409131790	JKLYFJURSLDESZ-ZCTHSVRISA-N	559.644	5.162	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1	409137376	WDCVMGYUIOYPRO-XMMPIXPASA-N	508.416	5.157	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1Cl	409190451	NRZAVJYJYOAFQO-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccccc3)cc2)c1	409217280	AXYRLOJCCBYSLP-YKQZZPSBSA-N	522.517	5.139	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)c2)cc1	409218667	JMXQCUGXZUOZND-UHFFFAOYSA-N	602.441	5.702	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	409222303	BRAJWVFOBGPEHR-UHFFFAOYSA-N	617.412	5.601	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccccc1C	409253755	VDIPSEYKLHYFQR-NDENLUEZSA-N	534.410	5.638	50	40	KKGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	409312519	LMZOTOAZOODKBB-NTFVMDSBSA-N	574.415	5.440	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OCC	409317201	SMHBQZXKILNWCS-RHANQZHGSA-N	561.056	5.376	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409318525	WERKBONBJQFHME-OHUYPAJKSA-N	702.421	7.029	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1OCC	409320351	ALDOUHGAEOXNNQ-RHANQZHGSA-N	509.990	5.309	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc2c(c1)OCO2	409344693	IASQZANYPYAJMR-VFLNYLIXSA-N	582.248	6.436	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2cccc(Br)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409368980	VXDYDOHPADEZHN-MBTHVWNTSA-N	542.499	5.024	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(Cl)c(Cl)c1	409373238	PCSCJFYJCIHBRT-WCMJOSRZSA-N	523.416	6.897	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1cccc2ccccc12	409373555	QLBOEZQQNSCWFN-DPNNOFEESA-N	569.455	7.116	50	40	KKGB	
O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	409380229	KXRRRHJYXLWTPK-WOJBJXKFSA-N	681.325	5.328	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409380773	AJOMLOQARBELLK-XDHOZWIPSA-N	552.381	5.846	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(C)=O	409394685	DQIWTAPZOZUKIC-UHFFFAOYSA-N	831.255	7.882	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl	409395791	RUTHDIQJRGTWLU-UHFFFAOYSA-N	750.658	9.312	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397467	KDXUZULTYHUADX-UHFFFAOYSA-N	543.579	6.963	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)cc1	409397783	OAEDTZCKRAMUHZ-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc5c(c4)OCO5)c([N+](=O)[O-])c3)o2)cc1	409400620	DUOSOEPWWUEPEU-NKHVPTTDSA-N	687.503	7.008	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccccc1	409400637	DVAULBXLBKMWQX-GKVNEZTPSA-N	589.692	7.346	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccc(F)cc1	409403329	ZPWNZRFZYXEHLA-WBIBEUCMSA-N	610.642	6.195	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409407446	ZUGYNYNADPOPSK-ACXHZZMFSA-N	625.317	6.567	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1	1888792	WGKUJAHUEAMQQL-GFPZRUSRSA-N	526.420	5.875	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1	2199508	KBJZDBJWDIFTTF-YDYXIROLSA-N	518.436	5.823	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccccc1Br	2706480	KMHBAQBWMMXTJE-VULFUBBASA-N	571.298	5.702	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	8384600	IQFQYMOUTRKSCX-IZYHBKOJSA-N	675.085	5.731	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1	8400385	MJDGFMPNOVJHBP-RUMWWMSVSA-N	566.510	6.851	50	40	KKGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	9059347	TXWSATBBJRPVTL-UVHMKAGCSA-N	506.971	5.434	50	40	KKGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1	9427835	MTRQIKQFHYCBNS-LQKURTRISA-N	523.659	5.027	50	40	KKGB	
CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(OCc4ccc(Cl)cc4)cc3)CC(=O)N2C1	12251090	PUJIRSNRMPGFIS-RUZDIDTESA-N	516.066	6.701	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(N/N=C/c2ccc(Br)cc2)cc1	12563881	YYHAKWCYLOPUHW-GUJRAXHGSA-N	500.194	5.422	50	40	KKGB	
CCn1c(SCC(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)nnc1-c1ccc(C)cc1	30750434	LIKGUHIFAHPPFW-RHANQZHGSA-N	515.639	5.103	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OC	38688617	RXVXQEYSTJBVFG-HHHXNRCGSA-N	510.546	5.813	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	59335702	GSCHKTZAHVMRGU-XKZIYDEJSA-N	507.417	7.164	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	59500509	SNICLTXMMSPQQS-MUXKCCDJSA-N	514.365	5.334	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C(C(=O)Nc3ccccc3OC)=C(C)N2)c1	97951842	BNYSKLPQOXDONW-HHHXNRCGSA-N	544.633	5.312	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	97951889	SPFHFJNCCHLDKJ-MHZLTWQESA-N	548.039	6.290	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCC(=O)N/N=C/c1ccc(F)cc1	97966480	BZHRSTLRIICMJS-NIVXUIPCSA-N	615.493	6.333	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	98048653	MXIMEAGXYQQGCO-VWLOTQADSA-N	621.468	7.620	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)cc1C	100100756	MKSCANYGXWSVLG-RPPGKUMJSA-N	529.460	5.765	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(F)cc1	100224094	JXPXOIIOKOSCDD-NVJOKUIPSA-N	531.765	6.339	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1Cl	100232807	ZDXUVHLPHYNSRK-NDENLUEZSA-N	525.830	6.934	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(C(C)C)cc2)cc1	103896081	YHWXDFFCPLZSLI-FMFFXOCNSA-N	600.697	5.951	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1Br	104401906	DZZVZFMVJFBAJV-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	112264056	BDPAQYJBEWGOHV-LUOAPIJWSA-N	536.209	5.756	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1)S(=O)(=O)c1ccccc1	150385313	KTIGMNIHJCMRNQ-FDALDRLYSA-N	690.063	7.978	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1cc(Cl)ccc1C(=O)c1ccccc1)/N=N/c1ccc([N+](=O)[O-])cc1	150449757	SCQMCFDGEKDVMK-YJRCRUNKSA-N	647.095	7.297	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)N1CCN(c2ccccc2)CC1	164708679	OZRLIEKJXGFFIF-JWGURIENSA-N	628.308	5.888	50	40	KKGB	
O=C(O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	245232060	OTHQNINSJWIIPA-HWLDZIHSSA-N	525.970	6.240	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2OCC)ccc1OCc1ccccc1	408538444	MYSKRZWNRTXBBC-TYCBJDMUSA-N	812.186	10.689	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1ccc(C(=O)O)cc1	408542529	MAWOQNDAMAOGSH-CFRMEGHHSA-N	531.349	6.786	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408542831	OEOREUNCKWMOFO-IUXPMGMMSA-N	593.204	6.421	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C(=O)O)c3)c(OC)c2)c(C#N)c1C	408547159	SKBWKOTZFGCUPE-AWQFTUOYSA-N	579.030	5.763	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1ccc2ccccc2c1	408549472	UDJMWMABHQKXRS-JJFYIABZSA-N	631.226	7.831	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550335	CWNUGOXTHRWGPI-LICLKQGHSA-N	532.221	6.846	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OC)c1OCc1ccc(Cl)cc1Cl	408570451	VGSCHQKTTGIDNH-GRSHGNNSSA-N	508.380	7.389	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746860	WWKXQVIFUQWSTK-BOPFTXTBSA-N	532.740	6.208	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408752003	FIMFNPQAJHNGAP-SFQUDFHCSA-N	572.393	5.069	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1	408756643	RTYNDXMWELWRCI-OSLARZAXSA-N	576.502	5.364	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(Cl)c(Cl)c1	408766183	SIMGEALMIAIYBI-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1	408776075	TYESEGYVULBIOY-WQRHYEAKSA-N	513.338	6.251	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408785026	FJYPDGDCBVXKLK-JWGURIENSA-N	536.857	5.937	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	408790315	OVGJZCILOHCZGD-XDHOZWIPSA-N	556.254	6.735	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1cccc(C)c1	408792254	ABKIBLJUZDJVEB-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(I)cc1	408793285	DSHILJIJBYWKGW-GIJQJNRQSA-N	637.699	7.149	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408798876	XLEQYKGJTBFHDP-VCHYOVAHSA-N	526.774	6.444	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408801965	XILDJTWBXBUNSP-RQZCQDPDSA-N	506.216	7.733	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1cccc(Cl)c1	408802499	FPHVHOIRKCGPTR-PCLIKHOPSA-N	525.004	7.052	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc2c(c1)OCO2	408815444	RHPFQMRRAZIQIM-XKZIYDEJSA-N	500.526	5.806	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408816053	KHLHYUSHMOGYTF-NDENLUEZSA-N	511.803	5.913	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)c(OC)cc1Cl	408834264	UTBGUESEMALQPX-DJKKODMXSA-N	618.855	6.404	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(C)cc1	408842642	BMEAHOXWTGKWTC-GKVNEZTPSA-N	669.563	8.107	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)O	408843492	NHJRPJQKIUHSER-IPPBACCNSA-N	551.024	5.833	50	40	KKGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408843901	HMRMCKHVIOHXES-FSGOGVSDSA-N	514.423	6.544	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1Cc1ccccc1Br	408865221	CEDKZVNQPIJKTA-RGVLZGJSSA-N	509.831	6.864	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(Cl)cc1Cl	408868254	OYPMUHCWFODYOT-NCAUGAEKSA-N	591.514	7.515	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OS(=O)(=O)c1ccc(C)cc1	408879998	GMRBQNNJNGPKHU-SFQUDFHCSA-N	517.390	5.624	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1I	408888292	YRKDIMRQLWMQAQ-VZUCSPMQSA-N	613.020	6.147	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2OC)cc1	408891799	VOKUKCLPISDKEA-CXUHLZMHSA-N	633.782	5.635	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccc(Cl)cc1Cl	408896333	XZCSINMCTTVJOV-WOJGMQOQSA-N	511.361	6.215	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccc(Br)cc1	408897550	XXNBCCSOCGDFMK-VULFUBBASA-N	579.232	5.795	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc(C)c2)c(Br)c1	408942667	GNEYHVGMPYGTIR-GDLZYMKVSA-N	651.583	5.222	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)c(OC)c1	408953542	LYQJZDMMXOSOLJ-PDQWDMBESA-N	795.400	5.501	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCCOc1ccc([C@@H](C)CC)cc1	408969983	YFJWMOVUXSCRME-KDPMPHTCSA-N	533.068	6.933	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	408970044	ZEGFLFFLKGKXFD-SRSFWFHRSA-N	620.533	6.226	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1I	408984253	IKERFHLMIQWZTK-ZSOIEALJSA-N	604.613	5.968	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1C	409011550	GFUTYZXNQHWILX-VXEUHFJNSA-N	551.474	5.439	50	40	KKGB	
CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	409012485	IJULZWSTGQNKIB-JNKLXYNLSA-N	502.014	5.706	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1O	409017247	YBRHGBVDHQIWAP-GZIVZEMBSA-N	563.573	5.322	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409040066	FLMDICGPCXGSAS-LPYMAVHISA-N	518.013	6.227	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409074723	VBMCTJLVGDJTIL-RIYZIHGNSA-N	552.779	5.868	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4F)c3C)cc2)cc1	409117760	OZLAGDFELOPXHT-UXHLAJHPSA-N	518.614	5.131	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409127865	KDXUVVNSYAACBD-SANMLTNESA-N	580.523	5.728	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	409131686	JOUFKQDXOPGSNP-QFIPXVFZSA-N	518.194	6.259	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl	409156852	UUTYXXTVYYDGSN-FJEPWZHXSA-N	557.434	5.061	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	409183782	GFNXJZYVWZKGDP-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
Cc1cccc(NC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c1	409188362	YOTJVUOFTQBCPX-MXAYSNPKSA-N	517.221	6.255	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1ccc(Cl)cc1	409192454	CUQZOHCNIIYOIU-KBKYJPHKSA-N	634.614	6.031	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1	409220229	ZPULQRLGCHWOPK-IUMDAQJOSA-N	578.581	5.547	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12	409220240	ZVBJFEHIWGQJND-ZBAUQBKVSA-N	596.086	6.389	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409222842	FAZGPJBDJYJIHN-QFBDOJDMSA-N	568.029	6.374	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccccc2)c1	409225917	STFKABLHCISVJC-UHFFFAOYSA-N	700.181	7.210	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1C	409251565	AHDNLIZHICQJGJ-PPDIBHTLSA-N	515.353	5.300	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)c(I)c1)c1ccccc1	409253518	VMVRYEPFAPQIJI-WBRURWICSA-N	526.349	5.794	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409258267	SKOLHELSNDHUHU-WBIBEUCMSA-N	640.165	7.696	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409263093	GWUABGQOKZXUEY-XKZIYDEJSA-N	606.473	5.814	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C	409264665	OZPHYRNUFMOLJM-YBFXNURJSA-N	572.381	6.648	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(O)cc1	409268486	UKKFFFSMUKDQOG-MHWRWJLKSA-N	571.225	5.480	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1Br	409327303	RZBBIONVOPARIP-QFEZKATASA-N	538.236	5.175	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OCC)c2)cc1	409363097	JLJMGUIOZKIUTA-HMMYKYKNSA-N	503.530	5.186	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1cccc(C)c1	409373000	OXMNSOGXMVAUNZ-DICXZTSXSA-N	526.387	5.336	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409373294	PUWQZVLUWYWGAC-WCMJOSRZSA-N	576.447	5.709	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409383764	FTDHFCIQCGQLPL-APTWKGOFSA-N	685.356	6.418	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409385068	HBTVUVHCPMXFTL-FYJGNVAPSA-N	534.012	5.927	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)c1	409395830	SEXOBZGPOXLLEV-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)cc1	409396066	VXFZPQGFOWJVAP-UHFFFAOYSA-N	715.829	9.458	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409396741	APMCVGPCTKSRTF-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397228	HQBHLRVJDBWKIN-UHFFFAOYSA-N	606.893	8.095	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccccc1C#N	409399112	HXBXMHGOTPXALD-KOKCXWAISA-N	653.533	7.252	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccccc4F)c(Br)c3)o2)cc1	409404618	QLDGZSUCJXTXOY-ADJDCTSUSA-N	738.408	7.712	50	40	KKGB	
CC1(C)CC[C@]2(C(=O)n3cnc(-c4cccnc4)c3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1	1857523218	GXKRPLQWYWDFQN-CXUPGZSSSA-N	618.822	7.805	50	40	KKGB	
COc1cc([C@H](c2ccccc2)N(C)[S@](=O)C(C)(C)C)c(P(c2ccccc2)c2ccccc2)cc1OC	1857795063	JRKPWFKMKYGFTG-VHRGECNRSA-N	545.685	5.945	50	40	KKGB	
CCOC(=O)c1c(CBr)n(-c2ccc(OC)cc2)c2cc(Br)c(OC(C)=O)cc12	977837	LHTJHRPJNXCYOC-UHFFFAOYSA-N	525.193	5.399	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	1067751	LKXBNWKYWINQNN-GDLZYMKVSA-N	534.641	6.448	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc(C(=O)OCCOC)c1C	2396226	WETWZLCQGIUJQR-VBKFSLOCSA-N	532.043	5.790	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(Cl)cc1	3186213	DQSYJZRPXZAVLU-IFRROFPPSA-N	525.422	5.157	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c3ccccc3n2)cc1	3305801	SWKFCAUBLRLCSR-KBVAKVRCSA-N	520.574	5.824	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	4108638	HIHJTYOJINTINC-KBKYJPHKSA-N	537.639	5.790	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)cc2)sc2c1CC[C@@H](C)C2	6167144	RPYYLORNWIGCKF-NHTOUQLOSA-N	589.758	6.517	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)c1nc2ccccc2[nH]1	9425072	UQTUCDHEABZYJV-ULJHMMPZSA-N	511.560	7.198	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(I)cc1	10118595	KRVWLTBKLXPXDI-BRJLIKDPSA-N	508.718	5.427	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2CI	13423843	VJCWEUYDXCVIJK-VDYVOLKCSA-N	500.505	6.992	50	40	KKGB	biogenic,in-vitro
CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1)S(=O)(=O)c1ccccc1	33353492	UCZYITJVTRHAMX-STKMKYKTSA-N	549.652	6.008	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(Cl)cc1	59427541	GNURJEHIWNWROK-FMFFXOCNSA-N	510.424	7.882	50	40	KKGB	
CC1(C)OC(C)(C)c2cccc(P(c3ccccc3)c3ccccc3)c2-c2c(P(c3ccccc3)c3ccccc3)cccc21	96171879	YRYPZWGNSPJKMN-UHFFFAOYSA-N	620.713	8.370	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	97964247	GINKZXKCMYYSSZ-YZNMXCRDSA-N	631.516	6.208	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1ccc(NC(=O)c2ccc(Br)o2)cc1	97965782	ZTYKPQXLNSUKPU-MJXLXAJKSA-N	648.311	7.132	50	40	KKGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	97980410	RVTWBPRTIVPKPB-FOCLMDBBSA-N	525.971	5.663	50	40	KKGB	
Cc1ccc([C@@]2(C(F)(F)F)N/C(=C(/C#N)c3ccccn3)O[C@@H]2C(=O)c2ccc(Br)cc2)cc1	97981171	AEPPTCQQDBSTRG-FCLFOFRFSA-N	528.328	5.674	50	40	KKGB	
CCOC(=O)c1ccc(/N=C/c2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1	97981247	RNHDJVMJXFWPQK-MDAYZVFASA-N	528.592	7.423	50	40	KKGB	
COc1ccc(N2C(N)=C(C#N)[C@H](c3cc(Cn4cnc5ccccc54)cs3)C3=C2CC(C)(C)CC3=O)cc1	98008004	PMRWMYPUFLZFKA-MUUNZHRXSA-N	535.673	6.096	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048779	KCYFCADKRAGVKQ-AREMUKBSSA-N	595.508	6.414	50	40	KKGB	
CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1	100040729	RHFMMBDJMWHAIR-URNHUXSQSA-N	601.295	5.627	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1nc2ccccc2n1Cc1ccc(Cl)cc1	100088110	KPHORVVJVUARSO-XQNSMLJCSA-N	567.907	9.112	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1	100120716	KMXKDNIDICTGSY-OCSSWDANSA-N	532.507	7.054	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1cc(Cl)cc(Cl)c1	100130761	PPAHGJOYVKAVGA-KBKYJPHKSA-N	525.299	6.547	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)o2)cc1	100211167	NTFDSMKJWVTTGD-KBVAKVRCSA-N	600.480	5.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	100226352	NMJXWJOZAZROJV-KEBDBYFISA-N	607.275	6.799	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1	100336252	WGHVHFSQOBWHKI-YVLHZVERSA-N	579.221	6.731	50	40	KKGB	
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	100451471	OQWCCGPQWZVGOJ-YUFMIYQMSA-N	578.510	7.538	50	40	KKGB	
CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)C[C@@H](c2ccc(OCCCC)cc2)[C@H]2C(=O)OC(=O)[C@H]32)cc1	100741260	JYGVBDUPDUESNF-CVVFTUALSA-N	516.634	6.291	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OCc4ccccc4)c3)nnc2-c2ccccc2)cc1	100858987	BGFOPRQZZOLWBU-UZWMFBFFSA-N	549.656	5.764	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccccc3Cl)Nc3c(Cl)cc(Cl)cc3[C@@H]2[C@@H]1Cl	101076831	MFHGWWLWCZKEAZ-IWDKSJMNSA-N	540.299	8.594	50	40	KKGB	
O=C(CCCCCCC(=O)N/N=C/c1cc(Br)cs1)N/N=C/c1cc(Br)cs1	101656612	NUWWDTVIONCWJJ-VGENTYGXSA-N	548.326	5.276	50	40	KKGB	
C/C(=N/NC(=O)[C@H](C)Sc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1)c1ccc2ccccc2c1	102436897	YKBDCHMVQWCOGL-UKHJRZFISA-N	569.134	7.015	50	40	KKGB	
Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C	102851696	LTTQHBIDSYBMDL-UHFFFAOYSA-N	600.621	5.180	50	40	KKGB	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(C)n1-c1ccc(OC(F)F)cc1	102988509	HHESJOIZKJPAMG-CPNJWEJPSA-N	547.543	6.335	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccccc1I	104402056	KHPQMNPEWQYYML-FSJBWODESA-N	522.184	5.225	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Br)cc1	104953597	QDKKVLGANRHQOE-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
COc1c2cc(CCl)cc1Cc1cc(CCl)cc(c1OC)Cc1cc(CCl)cc(c1OC)Cc1cc(CCl)cc(c1OC)C2	150339807	ODDKRIMIXMVMJQ-UHFFFAOYSA-N	674.492	9.353	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	150385638	GHLHXLUYFDJONP-ATZGPIRCSA-N	633.490	6.221	50	40	KKGB	
CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(/C=C/[C@@]13CC[C@@](Br)(C(=O)C1(C)C)[C@@H]3Br)[C@H]2Br	245204268	KCHBNJFXKOPVID-HUORVGNVSA-N	616.026	6.115	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(Br)cc1	408526932	DMXDSPVCQHJBTF-APSNUPSMSA-N	616.962	8.924	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408537445	FFOZFNCJEUZTTL-OGLMXYFKSA-N	534.612	6.085	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408540975	AICHQYPVMFTDLM-JAIQZWGSSA-N	625.419	5.260	50	40	KKGB	
CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1	408541374	ZHXFLZOROOBCGO-XYGWBWBKSA-N	510.270	6.715	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553097	XDPXLBOICBHDKV-WOJGMQOQSA-N	563.433	6.294	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(I)cc3)c2C)cc1Cl	408589548	LUDHJIUJNPYGHE-RPPGKUMJSA-N	520.802	5.223	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408598898	KTONOZWGPSBJMB-IPPBACCNSA-N	534.281	7.396	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408649199	KUYAASFHSKPNCM-YRFTUQBSSA-N	709.621	6.148	50	40	KKGB	
CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)c(C)c2)CC1=O	408668926	RKPPVHXIUSEJML-JCLQJWMPSA-N	672.414	5.361	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1ccc(I)cc1	408710707	GRJWTMIDOAIZQB-XODNFHPESA-N	688.154	6.566	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccccc1Br	408742268	VSPYKQORTMNJPJ-RUMWWMSVSA-N	520.430	7.338	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c1	408746650	UWMQLWWBGPOJMZ-NHFJDJAPSA-N	558.479	8.428	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408769135	ORYBKFLNCPPWAA-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408771682	APXCBJWXHZVWKU-DHDCSXOGSA-N	618.315	5.983	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408774421	WOUFUMJMIDRODV-VWJSQJICSA-N	575.996	5.872	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cn(CCSc2ccc(Cl)cc2)c2ccccc12	408782322	HKWXCBCXOVBNKI-QRVIBDJDSA-N	508.050	7.096	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1C	408790728	XYZYAUKRLBBOMB-RGVLZGJSSA-N	553.356	5.941	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I	408791807	CUOQUKCIIGASEK-AWNIVKPZSA-N	589.611	5.195	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(I)cc1	408794591	SPOIFOMVFQJKQY-KGENOOAVSA-N	538.385	6.123	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cccc(C)c1	408794982	UHPYDUYHKITCAZ-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1	408796326	XVTWNAGOTHLHIH-RQZCQDPDSA-N	526.318	5.630	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408798229	VETVRDDTJJABOI-CAOOACKPSA-N	595.118	7.952	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	408798261	VKFHEHNODJYJJU-YBFXNURJSA-N	618.709	7.166	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccccc1F	408808326	FSTPUTBCSHDMDZ-BOPFTXTBSA-N	577.191	6.317	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1cc2ccccc2o1	408816749	WONFEUOANKGGKA-PPDIBHTLSA-N	546.190	6.440	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCc1cccc(C)c1	408821683	ADEZCJPXOLLDDJ-KEBDBYFISA-N	632.882	6.794	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1	408824642	ISFBROFGXXBZKM-JRZNSJKLSA-N	741.892	5.587	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCc1ccc(F)cc1	408832171	QEFUWRVKDFPAIX-YBFXNURJSA-N	510.949	6.020	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)cc2)c(OC)cc1Cl	408834442	UYEUMCGVQZVOOB-HYARGMPZSA-N	512.993	6.944	50	40	KKGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408835732	XVPOHUYPSODREK-BJUCDSOZSA-N	633.941	5.397	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Br)cc5)c(Br)c4)cc3)cs2)cc1	408838669	GZDRSIBPVOBFIJ-KVAAJVFYSA-N	676.434	8.730	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408840018	WYOHNBFADBCPIN-FABQOPTDSA-N	590.463	6.936	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408846878	LINMOMFDWKTPOC-FZKWRIDDSA-N	670.476	7.596	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408866612	HELJZENSTBAUSY-ZMSHONLYSA-N	520.265	6.067	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1Cc1ccccc1Cl	408874133	YZUKQEYRXHOUTE-UDWIEESQSA-N	553.840	6.424	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	408875585	KIDUQUDGVGQZDL-OXUBWTJQSA-N	581.821	5.809	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1	408880625	GHTRLNVKFFREPM-RGVLZGJSSA-N	509.831	6.864	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408885988	CHZNLCFVGVHYDA-KGENOOAVSA-N	525.026	5.923	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC(=O)c1cccc2ccccc12	408888249	XWMWXEKWRUWTBF-SEBMTOOBSA-N	580.725	7.451	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OC(=O)c1ccc(OC)cc1	408889730	GKAOVPGOHQQYMO-UXHLAJHPSA-N	609.420	5.472	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl	408892088	AXRLNICKSSNALL-YBFXNURJSA-N	570.827	6.843	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccccc1C	408894092	IWLHNLXYLPEDFX-RGVLZGJSSA-N	663.204	8.114	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408903885	AVLYREOSBPVAJW-MWLSYYOVSA-N	544.520	5.719	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2Br)cc1	408922699	GCAZUXFHFGTJOE-OVCLIPMQSA-N	654.282	5.936	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccccc1	408947852	BLFFLTVZDYITEW-DUWNNDMISA-N	656.736	5.122	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(OC)c1	408949024	DQKFIKKYBVXRBI-FKZKYSLJSA-N	686.505	5.209	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408952111	VJZQACLUZYBMSY-NDEPHWFRSA-N	783.472	6.071	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408966201	NOGUERXPQGEHNG-VWJSQJICSA-N	577.424	7.398	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408968911	CUCKZEAIKRWRDW-VPMLLTSISA-N	556.490	5.817	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1C	408970449	HZYYHXUGQLMUIO-PNNBMQKVSA-N	517.457	5.242	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c2ccccc2)cc1	408980644	RXIFWCBCPGCCSC-YLSWKDTQSA-N	629.580	6.321	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2I)cc1	408985959	YWXHQQXQDRULJE-OCKHKDLRSA-N	668.700	7.291	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccc2ccccc2c1	408993973	XTACYOXITJWYDC-WPWMEQJKSA-N	523.032	7.663	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	408996360	HTLQZDYBHAYHQA-FZKWRIDDSA-N	640.593	5.743	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	409004350	BZLVNUNINWTZJJ-XPINVIRLSA-N	639.664	6.549	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)cc1	409045506	YUURNSHWXRSOKB-MHWRWJLKSA-N	505.354	5.754	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1	409067008	NGZIBLRSXOPOPT-QGOAFFKASA-N	561.443	6.104	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409070123	ZQBDCJAFDOETFF-NTEUORMPSA-N	631.129	6.832	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCc1cccc2ccccc12	409074484	LZGILYIOKCPONX-NLRVBDNBSA-N	523.032	7.745	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2ccccc2)c1	409117371	OIAMKEBJJQDWOJ-GZZLJNBRSA-N	554.672	5.368	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccc(Cl)cc1	409120157	SAKXOIGAKOTRKL-KCSSXMTESA-N	643.991	6.254	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4ccccc4)cc3Br)cc2c1	409186646	FZKOWGRCGQETQP-MWLSYYOVSA-N	537.410	6.336	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccccc2)cc(I)c1OCc1ccc(C)cc1	409206477	JZDHJLYCIAGWNW-QFEZKATASA-N	515.351	5.343	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccccc3)c2)ccc1OC(C)=O	409217968	GJYMYJQUCSSKKB-JYCBPPJFSA-N	656.489	6.018	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)n1	409239227	OWAZNXBTIGQQPS-NSKAYECMSA-N	554.297	5.984	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1	409253907	YLSDOVWKWRIBFP-UDWIEESQSA-N	568.457	6.662	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409263833	CIQJMVMASIOXLS-MUXKCCDJSA-N	500.382	5.482	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1OCC	409309921	NZFBBMFZGKTWBW-RHANQZHGSA-N	605.507	5.485	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409314073	QHQUFTCDORIFJV-OHUYPAJKSA-N	574.033	5.718	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(I)c1OCc1ccccc1	409364980	RWODMMLZXZLOSF-QRQIAZFYSA-N	542.417	5.524	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccccc1F	409371778	OFJMOHAMZRYXFV-SXGWCWSVSA-N	524.160	7.380	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	409373776	VBRDQMQFMLPRHE-RWPZCVJISA-N	534.366	5.862	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409386607	QQPGJYZLWSJSPN-IPBVOBEMSA-N	666.335	6.610	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1	409394528	BQRLHFQHHMLNNF-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398600	UTXYGHLBKVKUBT-UHFFFAOYSA-N	685.789	8.939	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc2)sc(C)c1C	1785491	QXRGSHVMZREAAX-SHCJNDJLSA-N	562.475	6.018	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccccc3)C2=O)cc1Cl	2671105	PLEAXARKLZCZFL-RAMZYJDASA-N	502.039	5.434	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1cccs1	9008898	GXGOTCPHWJDYHK-QFEZKATASA-N	502.452	5.935	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1cccc(Cl)c1)=C(C#N)[C@H]2c1ccc(Cl)cc1	9075828	VHCWWFZAOKNEIF-HSZRJFAPSA-N	512.462	6.430	50	40	KKGB	
COc1ccccc1OCCn1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)c2ccccc21	9363526	WLJNWKPFWCLXHH-HEHNFIMWSA-N	521.602	5.897	50	40	KKGB	
Cc1ccccc1OCCn1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)c2ccccc21	13424474	ZXUMHVCHECIYEZ-OQKWZONESA-N	505.603	6.197	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)c1	13595720	CFEUXTUGQDRAEK-YMGIJWJESA-N	518.436	5.823	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c(C#N)c1C	33794190	FXQNAYFPCXPZQZ-RIYZIHGNSA-N	509.927	5.645	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(CSCc2ccccc2)cc1	59473107	ZMBMHIHJCJQVMJ-KEIPNQJHSA-N	516.666	7.616	50	40	KKGB	
CCc1c/c(=N\NC(=O)Nc2ccc(Cl)c(Cl)c2)oc2cc3c(cc12)CCC1(CCCCC1)O3	70655962	QREUBISURWQPFD-BGABXYSRSA-N	500.426	6.967	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	97958031	WKMVNCAWJSKIAI-WMGAYZPOSA-N	557.448	5.696	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1	97964206	CGGFKKVPZOFIJC-BZYAUTJXSA-N	583.622	5.016	50	40	KKGB	
CCCCOc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)c1	97985297	DXBWVAWVSRBUMW-GDLZYMKVSA-N	572.756	6.942	50	40	KKGB	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4s3)c2)C[C@@H](C)O1	102684884	GRCHLKQVNWMTCX-DOVZHTLQSA-N	581.723	6.011	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	103828367	DQZGMMLYFIILBT-RCCKNPSSSA-N	550.644	6.005	50	40	KKGB	
CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C[C@@H]1I	123224561	LEWFGYWUDKXYIJ-JOLYSRJRSA-N	556.613	8.453	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795367	NSCZBJZJRFUNMQ-VXGBXAGGSA-N	658.140	8.890	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	169795458	KELOXZVGGXGIJH-ROUUACIJSA-N	742.302	11.230	50	40	KKGB	
C[C@H](CCC(=O)N/N=C1/C(=O)Nc2ccc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	245241947	UKBJVLJEAXCAFE-YBTFLWTCSA-N	570.174	5.519	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1Br	408540207	OOZBEEZFNBTBNK-WKIKZPBSSA-N	550.213	6.953	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C#N)cc3)cc2)c(C(=O)OCC)c1C	408545950	AKDLRRIBKGNEHF-OEAKJJBVSA-N	542.613	5.579	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1cccc(C(=O)O)c1	408567024	CGVQKNGBJAWNBK-FJEPWZHXSA-N	678.570	5.975	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	408569318	NECCQFPOBSGCOE-KPGMTVGESA-N	603.593	7.317	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408612379	YHEILMJFLXHGAN-LJQANCHMSA-N	528.436	5.776	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1	408640137	AMFYXUKILRJZCP-ONBABHLOSA-N	728.821	5.886	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408676733	MWLBUAYPGQIUEU-WKULSOCRSA-N	575.276	6.294	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408677401	QGBSEBJAGONSGI-KBVAKVRCSA-N	583.458	5.369	50	40	KKGB	
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1	408681252	HMCCNPJHVRDFQE-VTAJJLHNSA-N	557.750	5.121	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3Cl)o2)c(Br)c1	408740160	IYTSMBTZNSUFDQ-CCVNUDIWSA-N	510.819	6.842	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)ccc1Br	408747861	UVMDWYSRUYBFTR-PDGQHHTCSA-N	513.233	6.473	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl	408750591	PDLRNEOZQYWIKN-OHUYPAJKSA-N	530.411	5.830	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(Br)c1OC	408759057	XCNDMYILHGXIBX-JYRVWZFOSA-N	527.156	5.007	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	408786477	QQQMEAZFRLTABC-MTJSOVHGSA-N	552.368	5.731	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408790709	XUZHYHLDVZMVFA-RQZCQDPDSA-N	627.693	7.775	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408793195	NTZAOXAIFGLMAY-GIDUJCDVSA-N	601.111	8.196	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Br)cc1	408795210	LGNOSYGDQJZYBO-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1	408798124	UONINNKAUUGAJX-CAOOACKPSA-N	733.569	7.745	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C	408813915	FWGSNYQWAXQHON-IFSBUVSJSA-N	548.481	5.437	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408822214	ARWHNWPSZQKKLH-JJIBRWJFSA-N	584.426	7.061	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc(F)cc1	408822456	BZTMKCYBVYOHKK-MFKUBSTISA-N	601.472	7.609	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1	408823486	DOZLEQZPLBOLNV-LALXJTNGSA-N	753.730	6.936	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1)Nc1ccc(F)cc1	408825943	BRGKKPIURQGKMV-GUBAARJWSA-N	578.688	6.062	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408825965	BSIDASXIUIEPDL-HNSNBQBZSA-N	608.116	5.590	50	40	KKGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)CC1	408832238	SHIQVPQWROEMDB-UHFFFAOYSA-N	520.493	5.353	50	40	KKGB	
Cc1oc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1Br	408832360	WMUPWXQVQVCKFR-BHGWPJFGSA-N	545.242	5.003	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408833887	ZXLPTLNXAMMHOG-MHDJOFBISA-N	722.401	6.597	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408846018	QHUHWPQQMRAEGB-OKCVXOCRSA-N	544.633	5.577	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1O)c1cc2cc(Br)ccc2o1	408848785	UFGSIFSPDTVEMZ-IFRROFPPSA-N	563.971	5.032	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408849333	XXIWZLZEUPMPDM-XAZZYMPDSA-N	766.399	6.777	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cccc(C)c2)cc1	408858143	MRYIDDDFTDNBMX-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408860208	TULBRWJSZMGQKN-VULFUBBASA-N	522.479	5.369	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Br)cc1	408869251	QCAQGFBWHUYRAI-NVJOKUIPSA-N	648.122	7.102	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2Cl)cc1	408881044	KAPRSUYAHLBDHD-OVCLIPMQSA-N	566.806	6.177	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1	408881748	KHXCXJYSMDFMBI-LDADJPATSA-N	530.647	7.001	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1Br	408883547	RHQBRDDNNITYMC-WOJGMQOQSA-N	542.227	6.345	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1ccccc1F	408883785	UWVOLXIEEUCEHM-FYJGNVAPSA-N	523.402	6.674	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OC(=O)c1ccc(C)cc1	408886725	LQOZGLAYOCRIMZ-XDHOZWIPSA-N	584.264	6.602	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cccc2ccccc12	408886807	MINFNZYINLTEFF-IPPBACCNSA-N	572.684	7.361	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(I)c1OCc1ccccc1Cl	408893199	GCEPEJOTXCLBAI-KKMKTNMSSA-N	607.857	5.916	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1cccc(I)c1	408904326	HYQRUVWENYNZKX-MSXFZWOLSA-N	528.306	5.117	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408904899	QDVVQGGBNJYECJ-ULPWCQAASA-N	630.164	7.960	50	40	KKGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)S(C)(=O)=O)cc1	408908737	YIDKQUZEOCGWCV-UZOOHMMHSA-N	574.099	5.021	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(OC)c1	408949604	FTCHGWKOBDXCDV-OYHJKUJTSA-N	678.573	6.034	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(C)cc1	408966290	ZHTUAWHHCIZRLM-AMVVHIIESA-N	582.360	6.360	50	40	KKGB	
CCCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	409014666	NQIFWDOYZXEJNR-LNRKUZHGSA-N	508.446	5.231	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccc(OCc5ccc(Cl)cc5)c4)cc3)cs2)cc1	409034211	PXUODMZAABZVTD-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	409074374	QJJLDGQPWBHETF-FYJGNVAPSA-N	510.999	5.038	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)c(C)c1	409087440	CNSUPGYBOIVPIR-LICLKQGHSA-N	560.326	7.331	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409088380	IZMDCOGNFUWUNF-LICLKQGHSA-N	522.901	6.202	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(F)cc1	409096633	GGCPYQABZBRQHC-XMMPIXPASA-N	539.357	5.513	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)COc2ccc(Cl)cc2)nnc1-c1ccccc1	409188820	AUKQYVNRZLBJJP-JFLMPSFJSA-N	537.001	5.207	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1NC(=O)c1ccccc1	409214379	XDQQLAXCFNKNKQ-RPPGKUMJSA-N	605.230	5.366	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)c2)cc1OCC	409219461	QWLTUNLRZLBODA-UHFFFAOYSA-N	595.608	5.448	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409219868	RCNKYJXPZGKBNC-UHFFFAOYSA-N	699.739	6.829	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409223682	GYHKFKLEJBNHAA-FYJGNVAPSA-N	503.986	5.919	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	409225437	PTAOVZXEBSIMQN-UHFFFAOYSA-N	696.308	6.364	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409257651	RPQMVOSNRJAPEK-XKZIYDEJSA-N	518.013	6.227	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409260586	SKZLBPUDMRGBOI-JAIQZWGSSA-N	593.434	5.936	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OCC	409317891	RYZUGFYLWLCABR-UHBFCERESA-N	618.322	6.527	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(I)c1OCc1ccc(Br)cc1	409366405	UWXSFMNCDPFRPO-FDVSRXAVSA-N	651.295	5.495	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(F)cc1	409374382	OBYWTOQQGQCWSI-ODLFYWEKSA-N	506.375	6.815	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409392552	QMWRTUPHPLPEEF-XAZZYMPDSA-N	646.177	7.269	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)c(-c3ccccc3)c2c1	409396082	WEMUVPVJZCLDQR-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409396776	BBNUXSBKSRRHMN-UHFFFAOYSA-N	533.584	6.225	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397576	LKQJYFZCRAXAPM-UHFFFAOYSA-N	627.451	6.887	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409399245	YRNYKPRLBYKUMG-UHFFFAOYSA-N	567.985	6.209	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3O[C@@H](C)C(=O)O)o2)cc1	409400648	DXBHAWUTDCBRIT-KDMZMTIXSA-N	625.432	5.553	50	40	KKGB	
O=C(CNC(=O)[C@@H](CSSC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1)Cc1ccccc1)OCc1ccccc1	504065293	SHIRAPUEIHEARH-KKLWWLSJSA-N	684.880	5.805	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	1529544891	SPXYBPZBVPHHAS-HVJLQFNCSA-N	783.472	6.071	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	1529548049	WIIUPQQFDSIMQE-MKEMXLLOSA-N	645.540	5.597	50	40	KKGB	
O=C(Nc1c(Br)cc2c(c1Br)Cc1cc(Br)ccc1-2)C(Cl)Cl	1699683	TVEGEZVAHKFXQG-UHFFFAOYSA-N	528.853	6.288	50	40	KKGB	
Cc1cc(N(CCCCl)CCCCl)ccc1/C=N/c1cc(Br)c(O)c(Br)c1	1872996	SYFLAFFYKSBGBB-DHRITJCHSA-N	537.123	7.040	50	40	KKGB	
CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CCCC2	2334604	LWYJBPMGHLUXSZ-GHRIWEEISA-N	528.552	7.017	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2696118	LXIXJKAZSPCEIB-OKCVXOCRSA-N	579.082	6.044	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1	2738717	DHMSOORZYPYZRN-JNIZBEHLSA-N	536.661	5.672	50	40	KKGB	
COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1	3222305	LFXKVWGIYACBAB-JEPNHJGPSA-N	545.595	5.943	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc(Br)c1OCc1ccccc1	6166641	ORWYWACYPOXHIU-HIWRWHBISA-N	603.498	5.625	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2)cc1)S(=O)(=O)c1ccccc1	19956883	XVVWKBYDGMDAOB-NDZAJKAJSA-N	518.038	5.808	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccccc12	33354862	DSQQYBGJACYFSH-PGUFJCEWSA-N	611.683	5.811	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)[C@H](NC(=O)Cc2cccs2)C(C)C)cc(OCC)c1OCc1ccccc1Cl	35999820	WIIJPZOOUQEEJQ-GHBXBCFBSA-N	568.139	5.941	50	40	KKGB	
CCC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1	49543176	HNLMHAUNUCSDSQ-QFERQNEASA-N	549.678	9.503	50	40	KKGB	biogenic
Cc1ccc(COc2ccc(/C=N\NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1	58993441	QBPOSRBQXCQYDD-MZFJOGFUSA-N	562.091	5.881	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(I)cc1	59426187	JLUPLJLTATYBQW-JVWAILMASA-N	507.375	5.545	50	40	KKGB	
O=P(COc1ccccc1P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	68592586	FZQQXQHCJLATGG-UHFFFAOYSA-N	508.494	5.676	50	40	KKGB	
CCOc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C/c3cc(Br)cc(OC)c3O)n2-c2ccccc2)cc1	97959390	PTLPLBZJRNLDTF-UAMLYTHZSA-N	625.549	5.386	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O	97960399	CHHXBTYHSPARPU-JJNGWGCYSA-N	514.839	9.699	50	40	KKGB	
CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C(/CNC(=O)c2ccc(Br)cc2)c2ccccc2)C1	97962777	LQXGVKLBVFWUQL-PWGGGZQFSA-N	583.571	5.689	50	40	KKGB	
CCCCCCCCCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1	97966007	MCXUGDXBFMASCS-HHHXNRCGSA-N	521.683	6.641	50	40	KKGB	
N#CCCN(CCCCCCN(CCC#N)C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1	97984704	LVAKJRDDJHCLQG-KKTFQPMKSA-N	664.660	6.449	50	40	KKGB	
Cc1c(OC(=O)CCl)ccc([C@@]23CCCC[C@H]2C2(CCCCC2)c2ccc(OC(=O)CCl)c(C)c2O3)c1O	100304854	BMWONWJISOEWFP-NGQVCNFZSA-N	561.502	6.977	50	40	KKGB	
COc1cc([C@@H]2[C@@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Br)c1OCc1ccccc1	102836027	FWRZQYFLQSUICM-VBANMALSSA-N	571.519	6.903	50	40	KKGB	
CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528562	BLVKGTRVFXGOND-KRWDZBQOSA-N	534.382	9.494	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCc1ccc(Cl)cc1Cl	103857736	YQIOTPRWVOUDED-YSURURNPSA-N	561.228	6.011	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)c(Cl)c1	103882657	KQLDNZUZROFYGX-KQWNVCNZSA-N	536.459	6.227	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc(Cl)cc1)=N\NC(=O)c1cc(Br)ccc1O	104316804	RVSWLNFGCUWUED-ADZZFNIUSA-N	608.884	6.326	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl	105134282	DLAXCMWLFRKGMB-RQZCQDPDSA-N	521.322	7.145	50	40	KKGB	
O=C(CCl)Nc1ccc(C2(c3ccc(NC(=O)CCl)cc3)c3ccccc3-c3ccccc32)cc1	107513070	OXBKJLVKWYZQIV-UHFFFAOYSA-N	501.413	6.404	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341942	ZJMFRLMMURWFQM-OAQYLSRUSA-N	1040.550	16.772	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)S(=O)(=O)c1ccccc1	150383984	PCIIJLNTIABQHH-QXUDOOCXSA-N	629.094	6.976	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5C[C@H]([C@@H]4C3=O)[C@@H](Br)[C@@H]5Br)cc2)cc1	169619030	JLYYHAXYIRGYLC-XLKYERIQSA-N	609.358	7.087	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	216066207	ONLKQOWAUYQLKT-FJEPWZHXSA-N	535.855	7.177	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2)ccc1OCc1ccccc1	408537718	HAEDEKCNWBIFRT-VUTHCHCSSA-N	518.613	6.467	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccccc1	408541859	FGCCEZPKGNZXJT-CIAFOILYSA-N	502.412	6.984	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OCc1ccc(Br)cc1	408565826	AWTAZWIHGJBVDJ-NHDPSOOVSA-N	585.239	6.967	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1	408570576	WYDHZKYASDINAU-KBVAKVRCSA-N	640.568	7.031	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408599051	NZFNHYAYIDUVNH-MUFRIFMGSA-N	595.393	6.094	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1	408607975	GEMXTGFCTVMZDS-CCVNUDIWSA-N	500.382	5.232	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408611016	PLPKWTZUBJUWQE-XODNFHPESA-N	504.801	5.877	50	40	KKGB	
O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1CC(=O)N(c1ccccc1)c1ccc2ccccc2c1	408669374	GRBUWNSELMFTJL-ODAXIHTASA-N	570.281	5.427	50	40	KKGB	
CCOc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccc(SC)cc2)cc1	408725343	FLDQIZHXQCWNAD-UHFFFAOYSA-N	503.690	5.219	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)c1	408744874	NURWFCJEYICDKT-QRVIBDJDSA-N	576.288	7.798	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br	408745371	RCAGGZWDMMOEKP-NVNXTCNLSA-N	522.193	5.008	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408746571	FIIMSPKEGZRSAS-SXGWCWSVSA-N	520.185	7.020	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)ccc1I	408747963	WGSXJBNXTHFJEP-LUOAPIJWSA-N	782.110	5.550	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1	408753022	GXMBHMUAKCTUDJ-HYARGMPZSA-N	549.421	6.149	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OCc1cccc2ccccc12	408758829	SBMOBJGZFXSRSM-JAIQZWGSSA-N	629.281	7.884	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)c2C)ccc1I	408776768	YUTAQNIJPZQMAI-UNOMPAQXSA-N	506.309	7.090	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I	408793985	GYEBAOREBWYULZ-CXUHLZMHSA-N	535.179	5.228	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(F)cc1	408797346	RGSUPPZPVPVJJR-VCHYOVAHSA-N	576.793	6.607	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408820181	VWUPGYBBBOUXPP-GRSHGNNSSA-N	648.251	5.773	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408824219	HJYOYACBMFNVHL-FNTLCPBMSA-N	739.703	6.361	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840823	BYBHTYBKDIYLQV-CDLBOOTPSA-N	746.912	10.228	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408842997	LAYBLKUHRSXESK-XJECJHNESA-N	617.558	8.520	50	40	KKGB	
O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cc2cc(Br)ccc2o1	408846155	PBHWZFFSDITCAQ-QDTIIGTASA-N	506.787	6.616	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408849216	ZCANVORXFKMBGY-IURWMYGYSA-N	634.434	6.848	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408862984	JWUQUISXBPLMNU-VTNSRFBWSA-N	643.947	5.431	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)[C@@H]5[C@@H]6CCCC[C@]65C)(c5ccccc54)[C@@H]3C2=O)cc1	408874955	GMHIAELTRWWPKF-ZGXDCLNQSA-N	543.667	5.474	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)c(OC)c1	408876610	QLDSMEXMQHKUIB-SSDVNMTOSA-N	506.986	5.477	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408898557	WWOCINAMMZBROV-LZYBPNLTSA-N	536.640	7.534	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1OCc1ccc(Br)cc1	408924270	MKOOMGRKACOESL-XDHOZWIPSA-N	522.355	5.799	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c(Br)c1	408925364	RMXJKXXMLNSYQN-JJIBRWJFSA-N	626.348	8.951	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OCc1ccccc1C	408926930	ZWTRFMHOUFSFPJ-LGJNPRDNSA-N	534.781	5.605	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccccc1F	408948194	OYZUTLDDJXVCDR-NDEPHWFRSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2cccc(Cl)c2)c(OC)c1	408948563	CVVQEJSIZRQWLL-VOSMKULASA-N	811.855	6.015	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c(OC)c1	408950824	HRGCYWCGFNDPLX-PDQWDMBESA-N	720.404	6.064	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC(C)C	408968627	AKDIOLXLFWMRSF-MXVTZXENSA-N	678.395	6.232	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5)cc4s3)c([N+](=O)[O-])c2)c1	408987212	AVIQYACYUBNMIB-PXLXIMEGSA-N	591.674	7.462	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OC(=O)c1cccc(C)c1	408998437	QKDCTRMQYPIDFQ-UXHLAJHPSA-N	511.534	5.222	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409005348	HWGFEZRSJIYDHU-PLECYWMYSA-N	630.484	6.944	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1	409011215	MVTUDBHJOVNTGX-CCVNUDIWSA-N	500.382	5.482	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OCC)c1OCc1ccc(I)cc1	409013421	UWSRFKGZSADMSH-VWJSQJICSA-N	785.214	7.875	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccccc1C#N	409037614	XZCCVXLQYKVOMO-KMUKQRDJSA-N	591.465	6.887	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1OCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409039719	XHTKYEZXUZOUNO-QNVXDBMFSA-N	778.215	8.761	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409050799	ZYKAAFHGOXYMHC-FYJGNVAPSA-N	503.986	5.919	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409068697	SNTWFJBUBJAGFT-XQNSMLJCSA-N	551.064	6.397	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c1	409117342	NCOWGOOHPBTDDY-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccccc1Cl	409128580	PTUFSBWPIZEYLD-FABQOPTDSA-N	640.089	5.184	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409170740	XNVJDQVXBXLPIE-VPUKRXIYSA-N	584.243	5.415	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(Sc3n[nH]c(-c4ccc(Cl)cc4Cl)n3)c([N+](=O)[O-])c2)cc1C	409189710	NHLOOEHUFNAEFV-XKJRVUDJSA-N	570.462	6.017	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1I	409191466	IFFOFOQJTIYXMB-KKMKTNMSSA-N	641.634	5.764	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)c1ccc(Cl)cc1	409219559	NVAZHVGQRGTFGU-UHFFFAOYSA-N	586.000	5.703	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cc(Cl)ccc2OC)cc1	409219573	ODMZVZSHSBUMTP-MUXKCCDJSA-N	514.365	5.334	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c2)cc1	409225435	PRXJVWDGZDFJLL-UHFFFAOYSA-N	527.964	5.584	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12)c1ccc(Cl)cc1	409227272	UUQCVANTIVPZBM-GOMVDEQNSA-N	546.026	5.302	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1ccccc1	409252788	TVBCGBXRUUJSJJ-VBNMEBLOSA-N	760.151	6.864	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1C	409257005	OQLDCOVXENQRIA-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1	409257167	RIMGCGVQHRFLLB-NVMNQCDNSA-N	628.277	6.300	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1	409258221	UHMXAPVEIMKPLY-GXBUFBABSA-N	551.643	6.063	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)c1	409262290	HKEJGXOEZUMMMM-PPDIBHTLSA-N	624.127	6.064	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1)C(=O)Nc1cccc(Cl)c1	409265056	MKSNAYFRDDOCEB-SXGWCWSVSA-N	589.671	6.428	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)ccc1OC	409321069	DYXWIGQIGGHDMH-VYYCAZPPSA-N	562.258	5.962	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1	409324122	SGXLZQKLYSUHPG-VQTJNVASSA-N	632.842	5.240	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1OC	409324930	WOMSJNWBDYTVAA-QDTIIGTASA-N	507.801	6.397	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2F)ccc1OCc1ccccc1	409331951	FHCGBXSYOKVJJA-DLCNMLRHSA-N	656.346	7.671	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1	409355846	FJPWYRHDJPZVMU-CCVNUDIWSA-N	500.368	5.128	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	409361783	HXZCKSNLWBPQEC-DICXZTSXSA-N	530.260	6.046	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1OC	409368741	KMJBMEADECUVPI-QDTIIGTASA-N	615.333	5.114	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	409373582	QWXOUTPIEVEQET-WCMJOSRZSA-N	623.447	5.551	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)[nH]c12	409395608	PRYRQDLHRBCWHX-UHFFFAOYSA-N	667.343	7.905	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)c1	409397183	HEXIQVCPKPKEMK-UHFFFAOYSA-N	633.873	7.384	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409400608	DTPGIOPBHWQRPF-TVHNJDKYSA-N	731.438	7.284	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(O)c(I)c3)o2)cc1	409401812	IDBYNTOPUOVUJA-VYYCAZPPSA-N	555.372	5.340	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)Nc1cccc(F)c1	409403370	ZXSVDLUYVSNHIC-AEVGBRMKSA-N	645.087	6.849	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(C)cc1	409405302	SRGZGGKVAAMJMF-GZOMZLSJSA-N	735.473	8.841	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Cl)cc1Cl	1529548895	PGEMMSLVKGBHHL-RQQSEGDXSA-N	697.641	6.195	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1	1529549165	UBHWPLCVZUTBPX-RNMNIPMUSA-N	671.603	5.856	50	40	KKGB	
CC(C)c1cc(C(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)OC4=O)c(C(C)C)c2)ccc1Oc1ccc2c(c1)C(=O)OC2=O	2362803046	BEEFJERAFGZQED-UHFFFAOYSA-N	604.655	8.465	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCc1ccccc1	1783941	BUSNKOGFWJDORM-KPGMTVGESA-N	538.629	5.171	50	40	KKGB	
Cc1cc(Br)c(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(Br)c1	2070038	CTHLRGQKIBWNIF-KIBLKLHPSA-N	540.639	6.271	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nnc(SCc4ccc(C)cc4)s3)ccc21	2330742	MWFKAJARMYPECK-RWPZCVJISA-N	531.732	6.509	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1c(Br)cc(Br)c(O)c1Br	4018551	DCFWDJZTAXYAPV-PGGKNCGUSA-N	556.052	5.395	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1	4196306	RDNFFNRCAWVLMK-KCSSXMTESA-N	624.329	6.185	50	40	KKGB	
C[C@]12CC[C@H]3c4ccc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)Cc1ccc(N(CCCl)CCCl)cc1	8101103	LRSFXIJGHRPOQQ-FIVOYDQLSA-N	788.684	9.413	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	8407144	OKQUGPMSVDSCAI-XMMPIXPASA-N	560.676	6.043	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@H]1[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1	8954628	KQIHYMLPAWUVKD-ZULDEQBTSA-N	503.605	7.054	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(F)cc3)=C(C)N2)c1	9075528	GLAJMMMLYKBRJT-VWLOTQADSA-N	518.570	5.134	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1	18173474	KXXFSJFFWMBRFJ-KCSSXMTESA-N	507.074	6.879	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc2ccccc12	20215052	GHLCTJFGTVZSLU-MZJWZYIUSA-N	516.406	5.323	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	20347591	JCCNWQUFUVQBTB-SANMLTNESA-N	512.635	5.911	50	40	KKGB	
CCCCc1ccc(NC(=O)C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1	33354719	QAFOUECPZNAUKP-RCUOHNOFSA-N	610.714	5.629	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cc(Br)cc(Br)c1O	98045858	WTUSRUATOZYFKW-NSKAYECMSA-N	614.751	5.203	50	40	KKGB	
Cc1ccc(CN2c3ccccc3C3=C([C@H](c4cccc(Br)c4)C(C#N)=C(N)O3)S2(=O)=O)cc1	100032510	CICZQSKMAPAMPT-HSZRJFAPSA-N	534.435	5.284	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1cccc2ccccc12	100063411	UXIHUNOMANGNOQ-KBVAKVRCSA-N	551.868	6.926	50	40	KKGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3cccc(Br)c3)c2C)c1	100100669	HRVZEWOYNXBCSU-RPPGKUMJSA-N	549.332	6.311	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1	100328669	SMVRVIFLWJGIGI-KKMKTNMSSA-N	521.770	5.358	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c(OS(=O)(=O)c2ccc(C)cc2)ccc2ccccc12	103571292	FNBBPZBFOBUPBF-HMMYKYKNSA-N	543.557	5.378	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl	164606154	NLLICHYXNYWVKA-ZSNJKBEMSA-N	628.954	8.220	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc2ccccc2c1	164703915	OFNCQHWPFFMXQC-IMRQLAEWSA-N	629.498	6.288	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)[C@@H](CCl)C(O)(O)C(=O)CCCCCCCCCCCCCCCCC	306146161	BVNVYIZWCUSXHC-PSXMRANNSA-N	643.478	12.184	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(OCc4ccccc4)c(OC)c3)cc2)cc1	408537751	HDOPGULKIJMZDH-ITYLOYPMSA-N	520.585	6.407	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1ccc2ccccc2c1	408548104	DLEKGPAFYSIDMZ-YVNNLAQVSA-N	631.226	7.831	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552098	HHMADACAAXPKMZ-FDUMAKPYSA-N	695.028	8.612	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1cccc(F)c1	408566886	BHGOYFSMPDGEMM-MFOYZWKCSA-N	510.338	6.645	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccccc1Cl	408568367	JDNGRZREOKHCAN-MUFRIFMGSA-N	543.110	6.325	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)CC2=O)cc1	408608137	OOMAJJOSZZMYCD-GOSISDBHSA-N	544.435	5.476	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408642007	LWVBNDPDEHCHBW-FZDBZEDMSA-N	617.121	5.156	50	40	KKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCc1ccccc1	408691636	JOTDYZXGAZPCAX-JAIQZWGSSA-N	521.358	5.836	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408712113	ZWBDHJLFYMNSMU-VYYCAZPPSA-N	685.256	5.475	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2c(O)ccc4ccccc24)c1)CCCC3	408731603	MDEYGLXFUGKQHF-UHBFCERESA-N	508.603	5.257	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(I)c2)c1	408746875	XBZBRPCNOBRXMS-UNOMPAQXSA-N	542.348	5.954	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)NCc1ccccc1	408747361	MVWCJTNXODHUPG-QRVIBDJDSA-N	670.288	6.851	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OCc1ccccc1	408762823	GKBFYUAYVQNWLZ-FMFFXOCNSA-N	516.682	6.658	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Br)c1	408766986	YBDCVBMDVWBQEQ-BKUYFWCQSA-N	562.261	7.489	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1)c1ccccc1	408768879	KUBMAKDMDJIQPZ-HUZSXYRPSA-N	540.483	5.089	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccccc1Cl	408771680	AMDMVRXJKCCMQJ-MFOYZWKCSA-N	524.786	5.354	50	40	KKGB	
C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(I)cc1	408782197	WTHGWBQODNSKTM-YYYGAUAXSA-N	555.441	5.219	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1cccc2ccccc12	408789069	NWGPYNFWOITVMN-MFKUBSTISA-N	602.472	7.585	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1	408792305	AOHPPZBKOFTLGT-YBFXNURJSA-N	530.249	7.443	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408795859	NIEBEWJWGZDAOZ-CIAFOILYSA-N	534.952	5.348	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408801140	UEOADJVZJIKZHC-NHFJDJAPSA-N	528.583	7.683	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1C#N	408818928	ZGTNATSMMURKDT-MUXKCCDJSA-N	504.340	5.418	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408825754	FNLCQLCVGLJYBK-XZYGTATASA-N	640.589	6.934	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1ccccc1	408826722	KOXZBADOQWIWKR-BUVRLJJBSA-N	695.351	7.766	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408827900	KYTPZVOZNMVQQG-FNTLCPBMSA-N	739.703	6.361	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)c2ccc(C)cc2)cc1	408828536	HNOAMTGVUOPDFO-GZZLJNBRSA-N	586.739	5.705	50	40	KKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1Br	408833068	STFJGWHMFMRREK-DEDYPNTBSA-N	525.830	7.014	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OC	408835159	MPQDJJHYBUNIGA-WOJGMQOQSA-N	619.253	6.196	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408839062	MHKSEXISNNHNCH-QNVXDBMFSA-N	682.427	8.975	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)o1	408841865	IFIOYKSBTKIJAV-FJEPWZHXSA-N	574.018	7.148	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408856847	DYQRQKOOTVBIJE-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OC(=O)c1ccccc1	408882282	QPOPSUQKCWGCRE-VULFUBBASA-N	593.215	5.436	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2OC)cc1	408886627	HRNPJBZCCDLIRY-KKMKTNMSSA-N	507.757	5.647	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1	408890541	VJZQMVCWWWFOOB-WOJGMQOQSA-N	536.338	5.439	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(I)c2)ccc1Br	408904087	DNFMCJFIHHOEFD-BCHBDCPOSA-N	661.107	6.998	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1	408972528	UVMGSUHQVBGQNM-MWVBGNBESA-N	610.549	5.795	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c2ccccc2)cc1	408980954	UOBKCAVQHUCQQZ-OJANRJRPSA-N	566.035	5.167	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1Cl	408983121	KSAAPMNYVCNOBM-LSCVHKIXSA-N	515.780	6.778	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1Cl	408983290	LFFRCCIAYWKIFG-GRSHGNNSSA-N	572.786	6.076	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1	408992021	PZSONORLAXUTQT-VWJSQJICSA-N	652.541	7.444	50	40	KKGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)cc2)cc1	409003006	YAHSIZHOPLPUOA-QFEZKATASA-N	532.403	5.121	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409009872	AGJBYJLIIDBUHI-QLQYKETESA-N	581.713	6.343	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1O	409016641	VDYCVEWHBWYQEZ-QPSGOUHRSA-N	593.997	5.041	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409019027	OIUQYZGCTJXSCP-QDTIIGTASA-N	528.348	6.389	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cccc(C)c2C)cc1	409027113	ZTCGQZQXLRDNPP-BIZUNTBRSA-N	586.670	5.445	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409029266	XYXDPQSSTPWXLW-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC	409032985	CZWNIPYTQOMOEV-SFQUDFHCSA-N	674.504	5.421	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409038285	VDLJUCWOXYZQLP-IDWIKUEFSA-N	633.489	8.003	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409045492	YTUOLWDARQZZJA-CPNJWEJPSA-N	505.958	5.310	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	409046597	RSKMEDFTVDYLOS-HPYSVAQWSA-N	580.471	5.889	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)c1ccccc1	409052814	ARFMPHXPMDTHEA-VCHYOVAHSA-N	503.621	7.508	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1	409138928	JZENDDQKEOCWOK-JOCHJYFZSA-N	529.818	5.895	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409139899	CIYHTBBVFODVND-DEOSSOPVSA-N	660.363	6.081	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409184605	HFGRVKBJYLVXJI-MYBYBSHWSA-N	685.633	8.104	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc(Br)c1OCc1ccccc1Cl	409185340	XOURGOIRDBYNMP-GRJIBALVSA-N	547.902	6.462	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc5ccccc5c4)c(OC)c3)cc2c1	409186316	AGLKCMQTZSRNJR-KYHGBAKBSA-N	573.443	7.099	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3Br)cc2)c1	409187449	QMJJIQNAIPXSEB-UHFFFAOYSA-N	615.753	7.615	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4cc(Cl)ccc4C)C(=O)[C@H]23)c1	409219381	MGXAQZATZCWPCD-JIXMVBFRSA-N	576.052	5.624	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409227979	YNRAMBFWEPSQHH-FYJGNVAPSA-N	503.986	5.919	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409255562	MARRTOXMGMCAFZ-JAIQZWGSSA-N	582.882	6.681	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409258654	YNRMHRBDXUMWGH-RGVLZGJSSA-N	571.983	6.938	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	409324334	SCULFIAXDUFAMY-LJUMEUDFSA-N	610.448	6.203	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1OC	409336436	SLPMVJBDMHFEGM-DICXZTSXSA-N	579.856	5.208	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccccc1	409362439	JNOXFMUTYHOQBX-ZDLGFXPLSA-N	608.173	6.447	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3OC)c(OCC)c2)cc1	409388751	VYSMMJCKNDVYBG-LTGZKZEYSA-N	515.566	5.056	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409392216	OCENADUXRDDTCI-FJEPWZHXSA-N	567.281	6.506	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(OC(C)=O)c(OC)c3)c(-c3ccccc3Cl)c2c1	409394614	CUJGVCGJJDECFC-UHFFFAOYSA-N	690.934	7.176	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397337	IVJMADHFWBMJHY-UHFFFAOYSA-N	641.338	8.830	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397638	MEWRWQGTRKGREM-UHFFFAOYSA-N	622.892	7.795	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccccc1F	409402963	LMRLNRQJABIKPJ-FRKGHFGRSA-N	739.436	8.672	50	40	KKGB	
Cc1ccc(COc2cccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2)cc1	409404514	QCIITJNWOXRPFK-GXBUFBABSA-N	533.628	6.917	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)o2)cc1	409405017	RSZPEPPMWCBUDK-WBIBEUCMSA-N	560.629	7.172	50	40	KKGB	
CCOc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1[N+](=O)[O-]	409406948	YFQQISCEGHHFSU-FDVSRXAVSA-N	536.972	5.990	50	40	KKGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OC	409407517	GNCHNDALOZNOAN-WBIBEUCMSA-N	668.659	6.183	50	40	KKGB	
CN([C@@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)C(C)(C)C)[S@](=O)C(C)(C)C	1857795142	OPZNKILVSCIGHA-KLWPGCLOSA-N	597.805	8.358	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1OCc1ccc(Br)cc1	1783733	HLFBQIGBXBKVPI-XJTZLMEGSA-N	595.519	5.398	50	40	KKGB	
COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC	1856852	UDYUXTXEYSROCE-NBVRZTHBSA-N	550.011	6.836	50	40	KKGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)c1C#N	2070694	KJTKTRBQFJATOQ-FDALDRLYSA-N	569.665	6.370	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)cn1	3113377	ZXYJQBFIXKOQDT-KBKYJPHKSA-N	535.167	5.037	50	40	KKGB	
CCN(CC)c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1	3275068	POTNYVJSZWQCBA-WGOQTCKBSA-N	514.411	5.309	50	40	KKGB	
C=C(C)[C@@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@H]1SSC(C)(C)C	5553644	JWNOBNLNGXPONA-CKIYMEHHSA-N	604.794	6.176	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(C)n1-c1ccc(Cl)cc1	6141600	LJXYIPQYTRZROK-CVKSISIWSA-N	513.044	5.374	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1	59304232	LZGWPMSNGXYJBU-ZCTHSVRISA-N	504.546	6.693	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	59886167	SWAYDDNOAFOXCQ-FJEPWZHXSA-N	537.991	5.828	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H]1COC[C@@H]1CI	95682071	QBAODHXWEYFWJU-RITPCOANSA-N	644.103	7.084	50	40	KKGB	in-vitro
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1	97951806	MLFQXKVRSLTDED-MHZLTWQESA-N	528.609	5.541	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OCC(=O)c1ccc(Cl)cc1	97968884	KMCCANDRNOAKCZ-KEBDBYFISA-N	633.907	7.667	50	40	KKGB	
O=C(N/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	97980734	DITRLUBKNBYJPL-LLDNVPTHSA-N	532.021	5.799	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccco1	98048544	HOSWYXDYBLWXPB-MHZLTWQESA-N	542.661	5.866	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c1ccccc1OCc1cccc(Br)c1	100057668	XUASWQCVGGQKGO-MZFJOGFUSA-N	598.526	6.518	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1	100062766	NWGIYNWMRDZSRM-MWLSYYOVSA-N	552.266	6.637	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	100062829	KXHMBTRXSQFCRI-NVJOKUIPSA-N	556.671	6.690	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1cccc2ccccc12	100335860	OABBTRAWCDFWIM-HYARGMPZSA-N	560.391	6.578	50	40	KKGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	100480345	KUDHJOMANPSYFU-FMFFXOCNSA-N	567.070	7.615	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	100612868	BQOUEIWRKXYPFO-CEUNXORHSA-N	528.638	5.773	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc4c(c3)c3ccccc3n4CC)nnc2-c2ccc(Cl)cc2)cc1	100852037	WUQVRMWHZMAIIH-JEPNHJGPSA-N	609.155	7.357	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Cl)c(Cl)c3)nc3sc4c(c3c2=O)CCCC4)cc1	100852499	RPPZCXRITXHRGG-DBFSUHOCSA-N	557.528	6.184	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1)c1ccc(Br)cc1	100913017	MUURPQVCYGGCQP-NTFVMDSBSA-N	523.818	6.226	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)c1ccc(Cl)cc1	100939588	VUOFHMMVCDBNBI-UDWIEESQSA-N	521.425	7.451	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(Br)cc2)cc1	100989335	XBVJJXRSUSFIEQ-YMGIJWJESA-N	552.881	6.476	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1cccc2ccccc12)c1cc2cc(Br)ccc2o1	101958516	DDNKNPSPVRGSMI-MNDYBZJGSA-N	578.260	7.454	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc1	102512688	WVFPBCISKAFBSS-CYRJMILMSA-N	564.465	6.451	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3cccc(C)c3)=C(C)N2)cc1	102808438	JGMSBVZCNADJFX-HHHXNRCGSA-N	528.634	5.693	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccc(Cl)c(Cl)c1	102933308	CTPRBBOAYJMDJQ-RQZCQDPDSA-N	528.348	6.131	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OCc1ccc(Br)cc1	102935131	AYLJWQUOUVZJER-XDHOZWIPSA-N	552.381	5.889	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	102988889	WSDRULFOPXMBPG-MOSHPQCFSA-N	547.533	6.701	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1	103886983	GVRJRFXGSNWASW-NHFJDJAPSA-N	558.479	8.428	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	112258747	XMKDEZPNOMCKIX-WOJGMQOQSA-N	552.881	7.039	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccccc1Br	164576720	DEHOAVVWQBLAAJ-KBKYJPHKSA-N	695.520	6.655	50	40	KKGB	
FC(F)(F)C[C@H](I)CCCC[C@@H](I)CC(F)(F)F	169795301	UEFLQIKAHGLYOH-HTQZYQBOSA-N	502.018	6.059	50	40	KKGB	
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(COC(=O)CBr)COC(=O)CBr	263583589	MAUXXKRCRPRQNW-UHFFFAOYSA-N	642.510	8.064	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccccc3C(F)(F)F)cc2OC)ccc1OCc1ccccc1	408540328	QCCVGBCZCCARRJ-AEVGBRMKSA-N	657.483	7.797	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	408553236	MZZUITWENBWEEP-XQNSMLJCSA-N	503.627	7.085	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408567383	DKGQLSYZJBOMLB-FJEPWZHXSA-N	631.570	6.133	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1	408579953	LXSUHEGYQUDECK-LICLKQGHSA-N	501.797	7.127	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1OCc1ccc(Cl)c(Cl)c1	408610312	NNBMQKBZGYWDOB-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408641323	JWYURGSZOBKFRN-YCAMKHIRSA-N	754.215	6.856	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Cl)cc1	408647054	JFHVUCPNUMIMBD-IOGQTDPRSA-N	663.577	5.665	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(C)cc1	408726003	OJSOFFLJOICZCK-ODLFYWEKSA-N	540.357	5.439	50	40	KKGB	
O=C(N/N=C/c1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12)c1ccccc1Cl	408733246	GZCZKAVKXBPTKD-FJEPWZHXSA-N	519.409	7.344	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc2ccccc2c1	408740703	DKFMRHAHYNXMBH-UCQKPKSFSA-N	513.391	6.736	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408772153	BPGDFQUQURJFIH-NHFJDJAPSA-N	528.472	5.110	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(I)cc1	408788528	KTEMRRHHCPXWKI-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408791384	WWVZDZLHKIAILI-HYARGMPZSA-N	579.447	5.914	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408791688	AXHJWMCORVNXFX-UDWIEESQSA-N	508.933	5.789	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccccc1Cl	408798628	WESBYPRSIBBACN-LPYMAVHISA-N	517.810	7.380	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	408799171	YHOSRXQTCCJYRP-YBFXNURJSA-N	555.812	6.022	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccccc1F	408812531	OZJIKFNYOVWDSC-MFOYZWKCSA-N	668.200	5.858	50	40	KKGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408825711	FGUHNYGWVMSHSX-QNKGDIEWSA-N	594.649	5.673	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4cccc5ccccc45)cc3)cc2)S(C)(=O)=O)cc1C	408828462	MVSHDBNXJFMMOF-HPNXWYHWSA-N	591.733	6.766	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408830343	OBSVQXHSOXGSIE-KBVAKVRCSA-N	582.078	5.414	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408832862	RYDGMGSRLDVQPY-JJIBRWJFSA-N	573.874	7.806	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccccc1F	408838606	GVCRDYFXBLDHJL-KULFSUQXSA-N	679.999	8.850	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408841680	GPUXCLFEZRKCMA-UHFFFAOYSA-N	607.711	6.407	50	40	KKGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)c2c1	408841942	HJCMGMDCRMRXJS-KBVAKVRCSA-N	522.630	6.796	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1cccc(C)c1	408847129	LRWWTBSVYIUMRB-CKJBABAKSA-N	569.705	7.841	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccco2)cc1	408848872	WREPBWQGOWAUTH-HIWRWHBISA-N	657.329	7.799	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)COc4ccc(Br)cc4Br)c3C)sc3c2CCCC3)cc1	408857112	NANYBXAHUFBGJC-MJXLXAJKSA-N	698.481	7.649	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1Cc1cccc(F)c1	408877866	XNLGZXCOBZHORT-ZVHZXABRSA-N	571.446	7.312	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1cccc2ccccc12	408882019	PONFIHZBNGKZQQ-IBBHUPRXSA-N	527.835	7.542	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1Cc1cccc(F)c1	408882525	QNQAFLSDGHSEIG-KEBDBYFISA-N	540.376	6.192	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1Cc1cc(C)cc(C)c1	408883296	PAQDBXQDQVJQLB-SRZZPIQSSA-N	557.410	7.620	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc2ccccc12	408888731	ZTQGMVRAFWJVBB-UDWIEESQSA-N	507.804	7.925	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2cc(C)ccc2C)cc1	408893197	LACQSZZCBBQYBW-OCSSWDANSA-N	550.084	5.105	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2ccc(C)c(Cl)c2)cc1	408895649	VBDXJKLRMBAESJ-OKCVXOCRSA-N	570.502	5.450	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OS(=O)(=O)c1ccccc1	408898459	LNHLRESQCAAKIV-VULFUBBASA-N	567.845	5.041	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc2ccccc2c1	408904472	KABQHWSJVHDORW-MNDYBZJGSA-N	529.936	6.499	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Br)cc1	408924181	LWCSPYRLFIUXNF-DEDYPNTBSA-N	568.449	5.338	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408968665	AUBGSYIQQNBCOH-YFIYQRCYSA-N	781.302	7.941	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1	408969460	NUGSBDMANSGFDN-WJGALAFNSA-N	627.572	6.950	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	409012528	IPWRSCSMTFCUSM-GHJQEPNISA-N	588.488	5.879	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)cc1Cl	409036373	VWDDCIFBLJQOTO-LJUMEUDFSA-N	509.949	6.366	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409042879	DICIQIINIDNBKM-KVAAJVFYSA-N	649.770	8.423	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409050106	YVUFKOVLGCPYCT-GIDUJCDVSA-N	560.186	8.444	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	409149446	GLEBYLBIOXGEQT-UVHMKAGCSA-N	705.128	5.939	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C	409168077	LGNMNLPLTYCLSH-KLPHOBTLSA-N	703.748	6.065	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1	409174267	USJSTGWTJURJTG-KVAAJVFYSA-N	670.548	5.214	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(Br)cc2)cc1	409186265	ZQRCUNFPBJWWGZ-KCSSXMTESA-N	626.960	6.336	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccccc1F	409196092	YXCZMLMXUNAUSW-WQRHYEAKSA-N	534.369	5.374	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1OCC	409218975	LZQHNJQCCCMLRG-MBTHVWNTSA-N	501.366	5.774	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(C)=O	409224870	NFYLCKHFBNULBN-DLCNMLRHSA-N	620.445	6.163	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)c1ccccc1O	409226867	WBBCHRDTXUJJJN-KVQWCIQESA-N	582.443	5.666	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409239157	CFHZWFRSOTXVLB-QREGZJMFSA-N	574.302	7.518	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)c1	409248734	IGWLMMYVFJBHDR-NVMNQCDNSA-N	505.323	7.445	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409264356	DXYGYFAPGMALOH-YSYOEVFLSA-N	719.061	8.376	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409267088	SHWUNHFMKBUVPK-FDVSRXAVSA-N	585.442	5.397	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409309143	CCMHILRRGUNQAF-MBTHVWNTSA-N	570.942	5.685	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1OCC	409309259	DPFRDVQNFGARGC-NTFVMDSBSA-N	591.480	5.095	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OC	409309939	OGKGWSDSBNTLJA-MWLSYYOVSA-N	539.972	5.563	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)c1	409394899	HENBWSIZUZGMGR-UHFFFAOYSA-N	654.870	8.561	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C#N)cccc2c1-c1ccccc1	409395626	PZEVJGWVPIVBNA-UHFFFAOYSA-N	706.778	7.877	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409395646	QFSJPFXCYXGKCA-UHFFFAOYSA-N	746.239	8.667	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)c1	409395676	QNORHSGCGXKPKM-UHFFFAOYSA-N	620.425	7.908	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cc(Cl)ccc3OC)c(-c3ccccc3Cl)c2c1	409397197	HIEWQUOHPMJUIO-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
CCNC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]1(C)CC2	504419195	RZRQJICXYQPEQJ-JJDACVRESA-N	518.742	6.342	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	1888144	NEADWSBCPRCFNL-YMGIJWJESA-N	508.430	6.367	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)c1cccc(I)c1	3162122	XWOJVRMBILJFKZ-RWPZCVJISA-N	585.239	6.550	50	40	KKGB	
Cc1ccccc1NC(=O)CC(=O)NN[C@H](Sc1ccccc1)c1cc(/N=N/c2ccc(Br)cc2)ccc1O	8665176	QZOIWWKNCPHBQV-DSDRSIRCSA-N	604.530	7.319	50	40	KKGB	
Cc1ccc(-c2csc(N3C[C@@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)n2)cc1	8715719	UBTNIHWAKJACKK-GHTZIAJQSA-N	517.434	5.548	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(C(C)C)cc2)N1	9057618	KAJQCVABNXCZDV-GDLZYMKVSA-N	522.674	6.517	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	9203336	HQTHOLCUXQZGFX-MUFRIFMGSA-N	507.815	6.528	50	40	KKGB	
Cc1cc(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)c(C)n1-c1cccc(C(F)(F)F)c1	12558686	YCFBOIKLOYGYSI-HYARGMPZSA-N	505.515	7.449	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	19939867	KSMDSCDCCUMXDN-XMMPIXPASA-N	510.059	6.058	50	40	KKGB	
O=C(CNC(=O)n1c(-c2ccccn2)nc2ccccc21)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	50704532	CCNUFFGKDZZOKF-QOSQFQCFSA-N	598.450	5.030	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)cc1	59333024	IFQHXKLDVSTTKG-JCMHNJIXSA-N	522.432	5.837	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	59856629	LEVMWIMSBVMBCQ-CVKSISIWSA-N	555.281	5.492	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2C)c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1	97962955	BNNBQYCZALMCAT-UTTKBSPJSA-N	556.684	5.946	50	40	KKGB	
CC/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccc(O)cc1	97965357	VMLLGYJYUWHJGS-XAYXJRQQSA-N	526.449	5.969	50	40	KKGB	
O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1I	98001447	UFJMDFSSPWIEKL-VPUKRXIYSA-N	764.006	5.678	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(Cl)cc1Cl	98087098	PLJTYZKNMKNSBO-IBBHUPRXSA-N	517.416	6.019	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1C	100125936	HWQMWLAUVUMULZ-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)cc1	100129861	SBDRBFXYEWVSCC-RGXNXFOYSA-N	607.574	5.549	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100175579	JENRYPCEVJJZTH-RPPGKUMJSA-N	546.245	5.337	50	40	KKGB	
CCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	100557678	ZOTGJEMFGUOKSC-SEXKYXSUSA-N	529.269	5.379	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)c1cccc2ccccc12	100858586	YDGAJWCQCYGRCL-FDAWAROLSA-N	557.473	5.934	50	40	KKGB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccccc1Sc1ccc2c3c(cccc13)C(=O)OC2=O	101140882	OKNMWXYWNJIYFB-PXLXIMEGSA-N	540.000	6.674	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(C)cc3C)N=C3CC(C)(C)CC(O)=C32)cc1	102587540	PWJBWAXBBDQYJM-AREMUKBSSA-N	515.679	6.898	50	40	KKGB	
CC1(C)CC[PH](CC[PH]2(c3ccccc3)CCC(C)(C)c3ccccc32)(c2ccccc2)c2ccccc21	103844456	WGLWIPJGZXNOTR-UHFFFAOYSA-N	538.696	7.151	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cccc(C(F)(F)F)c2)cc1	103896287	NCJXDBYJJZAKGY-MWBNBJEGSA-N	596.675	6.384	50	40	KKGB	
COC(=O)C1=C(C(=O)OC)P2(c3ccccc3)(c3ccccc3)N(C)C(=S)N2C1(c1ccccc1)c1ccccc1	104230398	YZNATRIOCJPECX-UHFFFAOYSA-N	580.646	5.111	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	105475506	GBBOPOJEZMYBDD-KCSSXMTESA-N	579.878	6.076	50	40	KKGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1C#N	105511389	FXFNBBXZPOKDLL-QFDQHJFZSA-N	622.303	5.594	50	40	KKGB	
O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	105964178	SLJKJVAMMAYLGE-KKMKTNMSSA-N	592.306	5.553	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc2ccccc12	109923982	WKRGHNDWOVYVMT-KCSSXMTESA-N	545.477	6.890	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1	112264853	ASSPKZILHRXHBS-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342171	JWZIENHPTPRSFD-UWTATZPHSA-N	692.016	8.387	50	40	KKGB	
ClC[C@@H]1COc2cc(Br)c(Br)cc2OC[C@@H](CCl)S[C@@H](CCl)COc2cc(Br)c(Br)cc2OC[C@H](CCl)S1	150355318	XBMCKLVQXOBVAV-RUPPMWDTSA-N	902.014	9.862	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	164312450	FSTURDWYYAOCAQ-JAIQZWGSSA-N	660.737	7.033	50	40	KKGB	
COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]1(C)CC2	254169256	WPTTVJLTNAWYAO-STTAHMFBSA-N	505.699	6.379	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408531453	OCXXPNHQECWGFX-HBHSWBPBSA-N	729.278	7.209	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408535752	ZZDMAOWRUASEET-KNBZMSCYSA-N	630.215	6.280	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552899	LMNRUORIDBFYGL-OVCLIPMQSA-N	548.785	6.358	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408570000	RJZPGWZRZMZXGY-CCVNUDIWSA-N	574.080	5.844	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cccc(Cl)c1	408599469	VJGNIKTXIUOJRX-IUXPMGMMSA-N	538.066	8.162	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OCC)c2)cc1	408610564	OEUFLTIIVLVICB-OKCVXOCRSA-N	542.419	5.625	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408641942	LMAIMJVDLDWOPP-VPMQLGLMSA-N	645.175	5.934	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1C	408648711	KDAUBTVVXIMDAL-QKIVABDASA-N	657.186	5.628	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408670645	ITMLDDKDSVUENP-FPCVCCKLSA-N	570.665	5.027	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1	408718490	RESUJSNFUANXAX-MUFRIFMGSA-N	536.426	5.725	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408725512	JLGKXKWEAMOVFP-ZDLGFXPLSA-N	603.800	6.376	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408745761	VHYBKCTVVRARFU-UNOMPAQXSA-N	588.829	6.477	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2	408746897	HKOOVMAQFWLJBH-IUXPMGMMSA-N	586.236	6.074	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Br)cc1	408748044	XMLMYFPZTQKBJT-KYHGBAKBSA-N	638.312	5.875	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1Br	408761385	JMYSBHIRELMIQZ-KPKJPENVSA-N	529.026	5.918	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408809753	IVSDUENRBZOIJF-JAIQZWGSSA-N	633.280	5.873	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc(F)cc1	408822108	BFVYXDANIWXOON-YZSQISJMSA-N	522.576	6.846	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1	408823611	FMFWOHGEZOAQSB-STBIYBPSSA-N	522.026	5.396	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408824509	QQHHTGUFQNZIPZ-WCMJOSRZSA-N	586.497	6.058	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)c3ccccc3)o2)cc1	408835312	YJUPPFUYNAGLNS-STBIYBPSSA-N	522.026	5.396	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408836987	XLQJJISPNPBMAK-XIEYBQDHSA-N	658.379	9.613	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4ccccc4c3Cl)cc2)c1	408837893	ANBVUNZCHMZQKX-KVAAJVFYSA-N	646.950	7.861	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	408838435	FHZHDWSSNIVOCJ-DPNNOFEESA-N	588.016	5.601	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cn(Cc5cccc(C)c5)c5ccccc45)cc3)cs2)cc1	408840619	CTYXPAMQTSJFNH-XZYGTATASA-N	555.707	7.937	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408843464	MVZLVMGTCRIFNU-JAVXJAORSA-N	702.380	8.645	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408845897	MGHHGSQNXPNETH-KGENOOAVSA-N	567.911	7.923	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(C)c1	408851280	XDXBOLLEHAMAOL-IDWIKUEFSA-N	608.536	7.875	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Br)cc1	408852753	NAFRRCQDXZJSCE-VXLYETTFSA-N	547.674	7.907	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(Br)cc1OCc1ccc(Cl)cc1	408857936	QKABMYCJOINLDU-KKMKTNMSSA-N	629.676	6.154	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc(Br)c1OCc1ccc(C)cc1	408860925	IPJOIPADLJTXAE-IPPBACCNSA-N	541.511	6.345	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408877561	SJYWLDZQQNRKRF-RGVLZGJSSA-N	529.851	7.733	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N\NC(=O)c5cc(Br)ccc5O)(c5ccccc54)[C@H]3C2=O)cc1	408883407	RCDJPOWYVAREQS-CYCBZHPESA-N	606.476	5.430	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1	408938859	AJNQVHKCXWWYHF-HHHXNRCGSA-N	671.559	5.156	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408939597	AZHSGFLPUODWJC-PMERELPUSA-N	671.603	5.856	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(OCC)c1	408944702	JKHYSAPTMLHZIQ-LJAQVGFWSA-N	760.505	6.074	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408969448	NPYFDFZPPVTUKV-FZQMISGMSA-N	698.239	6.728	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(C)C	408971525	HPIUOFLSLJCQDM-ZSTMDUACSA-N	586.516	5.682	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1	408983636	MZJKJIDPRXQKHM-QPEQYQDCSA-N	521.154	6.778	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)/C(C#N)=C\c1cc(Br)c(Sc2ccccc2)o1	408996636	JNOUZYMUFAADPP-UVTDQMKNSA-N	518.230	6.810	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1	409007408	WGNIJLJUUJINCS-WKULSOCRSA-N	566.894	5.553	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(F)c1)c1cc2cc(Br)cc(I)c2o1	409011509	NPMAKOIUWHABOM-KKMKTNMSSA-N	593.190	6.282	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1cccc(F)c1	409014257	HVYXWEQUGYFTPJ-VPUKRXIYSA-N	702.112	7.053	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2)cc1C	409016270	QQKDJDXLLHTTSV-MMFILIDRSA-N	618.737	8.210	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc([N+](=O)[O-])cc1	409018996	ZWLMSTVZNATDFZ-GATIEOLUSA-N	607.202	5.880	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409019975	YKDIXUXAZFQAFH-DROGLKGYSA-N	648.418	7.752	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc2OC)cc1	409026001	DCSGMRGUUQFDLC-OKCVXOCRSA-N	588.469	5.616	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc2c(c1)OCO2	409045889	JKYACZUMSHVRQZ-AEUUOICLSA-N	671.491	6.977	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	409075477	VZEFOKBPCGGBDF-GZTJUZNOSA-N	524.396	5.474	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409116948	VUBOQPARDOWOFO-VTNSRFBWSA-N	627.992	6.472	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(I)cc2)c(Cl)c1	409129844	VBNZVSKNEXAQHS-OAQYLSRUSA-N	532.765	5.338	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Cl)cc1Cl	409145921	RIHYNKSGRDFWKD-AREMUKBSSA-N	696.413	6.958	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCCC(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409148011	OEHHVFIJOHWMOP-OCSSWDANSA-N	603.097	5.336	50	40	KKGB	
N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)CSc1ccc(Cl)cc1	409208807	AGUIWQZIJKMPHR-UVHMKAGCSA-N	514.832	5.796	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)c1	409217962	GIMAPQOFKVDWJT-SMUUJSCJSA-N	562.025	5.315	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(NC(=O)c4ccccc4Cl)c3)cc2OC)cc1	409223779	HPJHPSVBKCTICL-UHFFFAOYSA-N	557.990	5.593	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)c1ccccc1	409239350	MDXWLVVYCXDEHS-VBNMEBLOSA-N	652.245	6.398	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409262149	FNNJZZXJTZMWJV-GRSHGNNSSA-N	534.956	5.437	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409263739	NZGGQRNTUNJTMP-RQRWGXNHSA-N	674.610	8.349	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C)ccc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409314828	HPGYHNPGESXDJM-VXKWHMMOSA-N	562.475	5.119	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)ccc1OCc1ccccc1	409335455	OASMIMOTBYRQMQ-FZPRHHONSA-N	593.449	6.527	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409364546	QDXNFCGBKNUMBS-YBFXNURJSA-N	599.400	5.619	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)c(OC)c1	409368091	NEZMYVOLZXFHSA-CPDSRJINSA-N	578.518	5.277	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(I)c1OCc1ccc(Br)cc1	409386101	KZTYDIMOXMSAKT-UVHMKAGCSA-N	600.295	5.014	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1cccc2ccccc12	409392109	LCOHVVHUVRWTNM-UUYOSTAYSA-N	535.356	7.235	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)cc1	409394493	BDBBQYOKPOQHHH-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409394646	DFHMHEDIZMDELR-UHFFFAOYSA-N	812.083	9.254	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409395955	UKSZVLNBLFBEBX-UHFFFAOYSA-N	598.999	6.397	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc2c(c1)OCO2	409396332	XTCRTNMKQBQWGP-UHFFFAOYSA-N	651.300	7.616	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397213	HLRFRQRJUFXFDB-UHFFFAOYSA-N	565.557	6.085	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)c1	409397540	LAOZNQCLJCRALO-UHFFFAOYSA-N	568.427	6.589	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1O	409402715	KQXFFAYIFNTRMQ-FDVSRXAVSA-N	552.425	5.897	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1O[C@@H](C)C(=O)O	409402922	LIJOXTNWJYFGFR-IBGZPJMESA-N	566.010	5.544	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409405354	SYKJSHJPYSTWNL-GHPUVNEGSA-N	717.411	6.894	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1	1529545132	YEVSSOSOUBQIJM-MMGYZVBGSA-N	671.603	5.856	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	1529548613	JZSRWFZXYOXQRX-IUXXIWHHSA-N	706.048	6.510	50	40	KKGB	
COc1ccc([C@H](c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)N(C)[S@](=O)C(C)(C)C)cc1	1857795007	GHNPMEYVIRKQLF-SDOGDWJASA-N	647.821	8.368	50	40	KKGB	
c1ccc(P(c2ccccc2C2=N[C@@H](C3CCCCC3)CO2)c2ccccc2C2=N[C@@H](C3CCCCC3)CO2)cc1	1903931239	UNNXTSKUSPPYLJ-ROJLCIKYSA-N	564.710	6.896	50	40	KKGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1	2761543	CRUJHMJNBDTIRL-KWMCUTETSA-N	557.006	5.964	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccccc2Br)ccc1OCc1ccccc1	3177025	KNJMEKWBABSKPR-JFLMPSFJSA-N	513.457	5.810	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	3255106	XMVVALXBMMYXOT-BKUYFWCQSA-N	556.478	7.439	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4n3C)c(Oc3ccc(Br)cc3)nc12	8606333	NFIYJIAKFPUOQD-SAPNQHFASA-N	512.367	5.509	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	33575610	SVLSOPSGVWZFIP-BRJLIKDPSA-N	500.418	5.259	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl)Nc1ccccc1F	33656768	GIJXYOOVYPHUNP-KVSWJAHQSA-N	500.313	5.660	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1cc(Cl)cc(Cl)c1	58913063	RWAZVHPDYCPHFV-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Cl)cc1	59332980	KHTFODVAOCBHKW-HAHDFKILSA-N	506.433	6.137	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1	59853287	JFZXCWKMDNRCFX-LGJNPRDNSA-N	571.280	5.110	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=C2CCCCCCCCCCC2)cc1	59856402	YQCJJTFPDTXOHW-UHFFFAOYSA-N	594.221	8.434	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	97950437	BSRYWGOBWCWCRU-MHZLTWQESA-N	529.065	6.355	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1Oc1cnn(-c2ccccc2)c(=O)c1Cl	98046126	ZPHFDTDIZWJUBX-HHHXNRCGSA-N	579.016	5.399	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1	100122683	ZWEHWBMBHSBKLM-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1	100220742	YKZCSGANTGZWKR-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1	100233221	MUBWMWSRBOOBNQ-OGLMXYFKSA-N	534.465	5.512	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1	100828185	PMZPNAMFKZDPFM-JSIHEXFSSA-N	522.399	5.653	50	40	KKGB	
CC(/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)=C\c1ccco1	100851148	LWNDMPBNARSOMB-NGQJDVRGSA-N	522.428	5.587	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	100858327	RLFCXEVGSXLMFK-LQNQUEJISA-N	553.519	6.330	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccc(Br)cc2)cc1	100989321	CMSCCVIJNXGPJY-NLTRVXJZSA-N	532.463	6.131	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl	101042384	SDERZFJZFFMTCX-HSZRJFAPSA-N	566.894	5.904	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)C(C(=O)OCc3ccccc3)=C(C)N2)c(OC)cc1Cl	102422471	MSXSANJJWCDZJG-JGCGQSQUSA-N	632.182	7.292	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	102515818	PURWEHRJOWNNHC-ZCTHSVRISA-N	539.544	5.409	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1	102808183	ZDVFTORLJVMTBM-RUZDIDTESA-N	537.563	6.558	50	40	KKGB	
CN1/C(=C/P(=Nc2cccc(C(F)(F)F)c2)(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21	102945679	GDIZPASHQWRDDR-QUPMIFSKSA-N	516.547	8.458	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OC(C)=O	103698664	XRKWUSIZZXLFIW-FRKPEAEDSA-N	523.364	5.677	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Br)cc1	103883449	LAEFHOLDEJBTBS-JCMHNJIXSA-N	611.334	6.055	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	105937860	DOBOYRPNPAUGIJ-MUFRIFMGSA-N	558.314	6.781	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1O	108167857	RHIQEQNAGAAVGI-GATIEOLUSA-N	538.623	5.914	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCc1ccc(Br)cc1	112256028	KPTNGJUEUVGUFQ-WYMPLXKRSA-N	522.193	5.546	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCc1ccc(Br)cc1	112256129	DZINPTRXHNERMT-BRJLIKDPSA-N	536.220	5.855	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	112265126	FAWWZLOUXFUIDX-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341301	DUPZSEZXRHMVFP-SSDOTTSWSA-N	844.175	11.311	50	40	KKGB	
CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341557	NDHVONYACAEWCQ-LBPRGKRZSA-N	1014.320	14.532	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccccc1Br	164576851	PVMYBWQWSXHLOU-KBKYJPHKSA-N	695.520	6.655	50	40	KKGB	
C(=Nc1ccc(N=Cc2ccccc2P(c2ccccc2)c2ccccc2)cc1)c1ccccc1P(c1ccccc1)c1ccccc1	263594798	CUUPLPXVHDVLBR-UHFFFAOYSA-N	652.718	8.704	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2OC)ccc1OCc1ccccc1	408538419	MPOJOUMSXAPOQB-YZSQISJMSA-N	569.057	7.451	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC	408539186	FJCJTGAHZLIRHF-ONUIUJJFSA-N	520.424	6.259	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc2ccccc2c1	408540629	AMDKCWXHUKNLLA-FMCGGJTJSA-N	604.400	6.276	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408545160	ZLKVORAEVCREHA-FDAWAROLSA-N	580.479	5.192	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408611288	VTKUACQJYLQOCX-GOSISDBHSA-N	514.409	5.386	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408659498	VWKKSTJWGXREBS-HLFFMGMJSA-N	627.499	6.609	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3cccc(C)c3)n2)cc1OC	408723984	BRYMOBMYYBYEEK-QNKGDIEWSA-N	516.601	6.296	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1cccc2ccccc12	408741424	PSGHMQOGVXUKHO-ZVHZXABRSA-N	574.418	6.255	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1	408743528	AUKLFVYPOUEVBG-WQRHYEAKSA-N	511.347	5.730	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408743837	BXBBGFSRZNUGGO-YVLHZVERSA-N	587.224	6.253	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408744369	KSRHPOBZOULLNJ-UNOMPAQXSA-N	569.355	5.723	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408746047	QKAWYDDMHFJZHA-YVLHZVERSA-N	670.672	6.682	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408746770	GVACDPPVQZJLHX-ZDLGFXPLSA-N	586.236	6.043	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)ccc1I	408748047	XPTNQFNZYXIDGB-MUFRIFMGSA-N	626.476	6.531	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(C)cc1	408748146	ZCYPRTCLVBLRQF-ODLFYWEKSA-N	603.254	6.495	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)c(O)c3)c2C)ccc1I	408774627	XIORYDSTXWHIAW-BHGWPJFGSA-N	599.210	5.081	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408787519	BEDQPCRYVVKOCM-LDADJPATSA-N	546.248	7.279	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789139	OEEOOYCCBCGEOC-OEAKJJBVSA-N	730.315	7.739	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Br)cc1	408798331	WDOYLMUJIYQTPR-GZTJUZNOSA-N	530.191	6.475	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C	408805629	BDAUEHQTRPWGHY-WPWMEQJKSA-N	567.483	7.770	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1c(C)ccc2ccccc12	408813784	VCJJRUIFMSODHW-YDZHTSKRSA-N	589.917	8.396	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC	408823401	DENZQQDKOJBUHJ-HYARGMPZSA-N	582.438	6.522	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl	408828076	KXDJKEYHAKMANY-KBWSQYJZSA-N	517.782	5.993	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(OC)cc1Cl	408828816	WCUKDYAEPCZLIX-FRKPEAEDSA-N	552.241	7.442	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1C	408828995	NJSAEHZEQVGQLB-KQWNVCNZSA-N	594.520	7.140	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408837759	NAPWAPSMOQUFNY-JFLMPSFJSA-N	520.438	5.046	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc(Br)cc5)c(I)c4)cc3)cs2)cc1	408838560	GDLKMBQVOXXMME-QNVXDBMFSA-N	802.330	9.335	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc(C)ccc4c3Cl)cc2)c1	408840699	ZVSSJEHAKRKKQB-XJECJHNESA-N	660.977	8.169	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841686	GSJVBQIRUVHXBS-AMVVHIIESA-N	622.888	7.902	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)OC	408842942	KOQUMRWOHWHGJR-OKCVXOCRSA-N	544.633	5.577	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(I)c2)cc1	408851399	YSABZAVSAGODJZ-MNDYBZJGSA-N	705.290	5.889	50	40	KKGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408861410	RTVHFCDMZRYDFR-PPOKSSTKSA-N	589.117	6.156	50	40	KKGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	408861570	SRUWYLYXJGKGBH-NDZAJKAJSA-N	534.037	5.265	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1	408864670	ZBOQHKSDJIVIRP-XBQJKBNESA-N	589.717	6.733	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(C)c1	408876371	OVRLUQOCOXRGKC-VXLYETTFSA-N	592.355	6.752	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OCc1ccc(C)cc1	408889924	LAMKXTIDCLYRMJ-VXLYETTFSA-N	558.803	6.386	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OCc1ccccc1Cl	408890547	VMUDQNKKOOJASQ-WOJGMQOQSA-N	602.812	6.166	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1cccc(Cl)c1	408898480	WEYAODZXKFNJEQ-XDHOZWIPSA-N	558.803	6.468	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(I)c1	408927276	ZZVLKJJDJRKJMG-LDADJPATSA-N	559.201	6.178	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	408945342	KMJPQXKQPVFHCX-MHZLTWQESA-N	751.443	6.128	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C	408949407	QWFNPFKGHSPQFI-UUWRZZSWSA-N	730.685	6.321	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(OCC)c1	408950693	SGWCYOUUVMMOSR-GDLZYMKVSA-N	746.599	5.293	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1	408954322	YZMBFJOXUJVBGN-NDEPHWFRSA-N	655.546	5.052	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C)cc2)c(Br)c1	408954401	ZETRXESXSJDRBF-MUUNZHRXSA-N	686.028	5.875	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2)c(OC)c1	408957771	VVEWBJFNDYYRJI-LNZKYNOCSA-N	641.508	5.301	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408965140	GKKCDVWXURUWQY-OKCVXOCRSA-N	513.554	5.928	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(F)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993104	CLCBCHCMFFZGIU-ORBVJSQLSA-N	605.085	7.009	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(I)c1OCc1ccc(Br)cc1	408999955	DHJPLUJBYDEDJJ-FVNKYMLISA-N	888.360	6.676	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	409000360	VVEBDKTVXDPYAJ-XIOXGIFKSA-N	633.511	5.638	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1cc(Br)cc(Br)c1O	409015713	RXAKGTMKKSDWHC-LSHDLFTRSA-N	542.025	5.234	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409018398	UVKPRAJDPXWEQC-LDQINPKVSA-N	648.418	7.752	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(F)cc1	409035582	JJTXGFPWCQKCDQ-KMUKQRDJSA-N	645.472	7.387	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccccc1F	409040370	YMKAYOXWRMSMPZ-APTWKGOFSA-N	505.549	6.392	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc([N+](=O)[O-])ccc1O	409046032	IBBIQSIGRUXOTB-KIBLKLHPSA-N	677.620	5.506	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl	409047515	OEAXGUMYYKEIQI-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409055546	CKTWSBGZBDGDLQ-FABQOPTDSA-N	626.562	6.231	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	409060158	YAEKHGFDHUQYGW-KKMKTNMSSA-N	566.677	6.525	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409070708	GLHSLSYGMBSSEG-HMMYKYKNSA-N	541.000	5.920	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(F)cccc1Cl	409074646	WGAZONRVSGEDPA-KKMKTNMSSA-N	573.271	5.236	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409085102	YTPBBVDPKQZYSA-AWNIVKPZSA-N	544.263	6.056	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Cl)cc1Cl	409139479	NVJVJFRNJHUEDO-QFIPXVFZSA-N	548.220	6.267	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C	409161761	ZFRQLBXQGKGFJG-XKJRVUDJSA-N	655.276	5.021	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)cc2)cc1	409168022	KPBAJIDTOLVFJG-KBVAKVRCSA-N	595.494	5.351	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1	409184816	NXDCPHPHIHMKCN-ZSNJKBEMSA-N	666.196	6.297	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409221816	ASVQAOYBCSSZQO-UHFFFAOYSA-N	666.514	6.653	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-]	409222274	CDUBWNWPAQZHPU-UJHWNQMCSA-N	579.525	5.138	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	409222777	CRCGIBITVLYXSA-GZTJUZNOSA-N	570.827	5.683	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1cccc(C)c1	409223205	DKCJUUPKNGLBIX-XYGWBWBKSA-N	533.466	6.391	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Cl	409248213	CLYLHNJTDMGUQW-OCKHKDLRSA-N	631.752	7.353	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccccc1C	409253781	YIORVMWWFGBZOK-ODLFYWEKSA-N	568.855	6.373	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)NCc1ccccc1	409260683	UPDVVZSENDHNOT-VCHYOVAHSA-N	514.796	5.888	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409260713	VFEPKVWAUDGKAY-WBIBEUCMSA-N	731.616	7.647	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccccc4OCC(=O)Nc4cc(C)ccc4C)cc3)cs2)cc1	409262045	CFZMCRAQNBXWHB-KMUKQRDJSA-N	589.721	7.260	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)ccc1OC	409312329	KNFYOKXYORYVLV-FDVSRXAVSA-N	545.405	5.737	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	409319336	DRNHUGFIWLAZIK-MZFJOGFUSA-N	595.073	5.858	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1OCc1ccccc1	409325983	FENQDDGHVMACKW-KYHGBAKBSA-N	620.456	6.296	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)Nc1ccc(F)cc1	409365165	SWMMVDVTVMZICG-KVAAJVFYSA-N	600.075	7.128	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2c(Cl)cccc2Cl)C2CCCCC2)c(C)c1	409368934	SWYPSSBXWYMCRX-VYYCAZPPSA-N	510.487	5.392	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1cccc(F)c1	409372559	FBPLBSXLMRJYTB-GRSHGNNSSA-N	506.375	6.815	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br)Nc1ccccc1F	409383458	YDXKVNDTTJOPPD-ZRGSRPPYSA-N	504.743	5.023	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1nc2ccccc2[nH]1	409383742	DKRKNOYAYYPHQG-NDENLUEZSA-N	653.261	7.568	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(OC)cc3)c2)ccc1OCc1ccccc1	409385258	GYFBEEZZPXNTPQ-UCMJSZAQSA-N	553.615	5.454	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(Br)cc1OCc1ccc(Br)cc1	409391512	JLOOWVFQPQRWAC-ZDLGFXPLSA-N	583.280	7.138	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409393548	YGYVWQVDPQYYJA-CAQPMQTCSA-N	655.330	6.924	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)c1	409395138	KHLZHKWCEFQMQZ-UHFFFAOYSA-N	645.941	7.309	50	40	KKGB	
CC(=O)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1[N+](=O)[O-]	409400066	BFEVNFKQYCGGAD-NUJZUDFISA-N	550.955	5.517	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Br)c1	409401633	HVNFOUGFKKMHLE-VHFSBPNMSA-N	691.420	8.442	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4ccc(Br)cc4)c3)o2)cc1	409402261	JLXPSKAEJUHMCZ-FZKWRIDDSA-N	598.497	7.372	50	40	KKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409404948	RMMMHVWGJAQXGW-ZDSCIVGOSA-N	564.480	6.970	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cccc2[N+](=O)[O-])cc1OCC	409406228	AWLPUGHMWXFQSX-DBSPGSINSA-N	666.687	6.955	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)Nc3ccc(Cl)cc3)o2)cc1	409407396	ZOVNAOOZEUFEKI-RODHXAHZSA-N	676.513	7.263	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4ccccc4Cl)c3)o2)cc1	409407458	ZVFDWBJMNPSZKS-FZKWRIDDSA-N	554.046	7.262	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1	1529548907	PQEVPGXTRKDJMI-TXWDNMQDSA-N	835.462	5.231	50	40	KKGB	
O=C1OC(=O)c2cc(Oc3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21	2362803075	CTCLKHBTTJFLFK-UHFFFAOYSA-N	644.635	8.275	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	1022988	MVYBBMPCHPAWFS-XMMPIXPASA-N	545.661	5.473	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1751332	ARKRGBXKCAHPGF-WCMJOSRZSA-N	568.530	6.790	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	1888135	BXLJUAWEPNDVRT-GFPZRUSRSA-N	508.430	6.367	50	40	KKGB	
Cc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	2196217	BMPGAVJJJFFABI-ACHIHNKUSA-N	507.634	5.435	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)ccc1OC(=O)c1ccccc1Cl	4017896	FOBILCPDCQWQQA-IURWMYGYSA-N	652.767	7.054	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1	8395850	VNMBCISSIMHKTF-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)cc1	9345076	PRZDADCHKXEAGV-HEHNFIMWSA-N	508.578	5.863	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc4ccccc4c3)nnc2-c2ccc(C)cc2)cc1	9763744	CVNIIFGNLIQILO-NJZRLIGZSA-N	521.646	6.037	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(/C(C)=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1	16121818	GPCCUPQBWJYBDY-WXGDAXOSSA-N	510.682	6.590	50	40	KKGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1	16322163	BUUYRXOUAGJXFD-VDHQCJLPSA-N	518.708	5.231	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)o2)cc1	23382827	UXAYTIVXMSLEJO-BIZUNTBRSA-N	507.590	5.446	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1cccc2ccccc12	59197963	WGXZKXNEVFLIMM-JFLMPSFJSA-N	509.425	6.405	50	40	KKGB	
O=C(/C=C\c1ccc(F)cc1)NC(=S)Nc1ccc(SSc2ccc(NC(=S)NC(=O)/C=C\c3ccc(F)cc3)cc2)cc1	97962651	SFCDHIXRKXHQFS-FDWQPRGYSA-N	662.834	7.817	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccccc2C)cc1	100123242	KYPILIKFHCQKBO-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1C	100125542	HXNAWWKBNVMQAA-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	100225376	JOTBLCCANFJBQP-CPDSRJINSA-N	563.485	5.594	50	40	KKGB	
CC[C@@](C#N)(P(=O)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102586276	ZQCQJTFMEGGNHH-UMSFTDKQSA-N	530.568	6.624	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccc(Cl)cc3)=C(C)N2)cc1	102718263	KVSISXRVNUCHTH-MHZLTWQESA-N	579.509	6.709	50	40	KKGB	
O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	102995171	CXOSLDVRHSWRMK-UHFFFAOYSA-N	530.049	5.490	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cc2ccccc2o1	103877419	KKWVUONGWXIQIM-QNKGDIEWSA-N	526.552	7.230	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1cccc2ccccc12	105410635	UJZMKWVGOSSGKV-FMTWEKJESA-N	568.455	6.308	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1	150427404	VSRMHKSAGOGXBY-PPDIBHTLSA-N	709.547	6.584	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	162473709	DTPYKGKPJQQOIU-HNSNBQBZSA-N	652.567	5.699	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795387	RUIFQUMIENOVBC-BETUJISGSA-N	872.195	11.821	50	40	KKGB	
CCN(CCO[Si](C)(C)C(C)(C)C)C[C@@H](COc1ccc2c(c1)cc(B(O)O)n2C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C	201301532	VMQUCOSTWPLQGA-SANMLTNESA-N	650.815	6.217	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl	226384905	FGLFDHZGWFMNKM-LHJCKOQZSA-N	581.132	5.270	50	40	KKGB	
COc1cc(-c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)c(OC)c2)ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	245285888	ZGTOLWFJKMXNQF-PLJGWILVSA-N	856.200	5.935	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccccc1	408565913	CHEQBDHNAVVBKE-MFOYZWKCSA-N	525.321	5.958	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408568220	IKBOMIHYZLYUKG-WYMPLXKRSA-N	503.989	5.516	50	40	KKGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1	408607959	GAVAVNFJMGUDGN-JBCPZZPVSA-N	504.801	5.553	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)CC2=O)cc1	408610443	UICMPWAIBMATOZ-SFHVURJKSA-N	528.436	5.640	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1)Nc1ccc(Oc2ccccc2)cc1	408687001	OFIWTZNUJMZTRW-VZJUQIMDSA-N	579.436	5.245	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408728624	QBUYGISIBWHYBZ-RWPZCVJISA-N	559.044	5.034	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(I)c2)c1	408744752	HCTWBEJPARXBKA-UNOMPAQXSA-N	542.348	5.954	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc(C(C)(C)C)c1O	408762894	CIAKIOYWBFPEFN-UVHMKAGCSA-N	554.323	6.301	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(I)cc1	408764055	RJXMXQLKXIHZMC-GDNBJRDFSA-N	654.236	5.275	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccc(Br)cc2)cc1	408766230	AKIPQXYPAMWAJX-OGLMXYFKSA-N	536.451	5.256	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccc(C)cc1	408768070	SSCFITZZDAORJK-BKUYFWCQSA-N	520.427	5.957	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1cccc2ccccc12	408769212	PKXQMBXVUKDOFN-MTJSOVHGSA-N	540.401	5.854	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408778186	QJMWADMWOMIXKC-LQKURTRISA-N	514.047	5.126	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408788686	FHNPQFXPRYWMAG-BUVRLJJBSA-N	557.444	7.134	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408798078	UFAOGFLZIITQFZ-CIAFOILYSA-N	550.409	6.498	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1	408798201	VEPRJCMPPKDEJH-CPNJWEJPSA-N	556.254	6.735	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408825652	FGDDTVWWJMPFIF-HNSNBQBZSA-N	656.986	6.426	50	40	KKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c1	408827640	LSAUFMCNUBPPFS-VFCFBJKWSA-N	603.516	8.614	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1	408832980	SNADTWVWRYEXHJ-CNCDYAKUSA-N	633.941	6.028	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1	408836335	QBWYZXBXCONOMB-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(C)cc2C)cc1	408838258	UAROGCPANJCACI-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1	408838817	IVKAPBLUGHLYCM-MTPJTBBXSA-N	582.454	6.013	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1O	408843625	MLUWKZJAJACAQU-UVHMKAGCSA-N	537.439	6.103	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408845176	PGIZPHDISPKTMV-ZCTHSVRISA-N	511.965	5.504	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845195	PKNCNOYVWOKHOF-XJECJHNESA-N	640.994	8.737	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(I)cc1	408855487	NNNDDJYHEUPNSS-BIKKEBSBSA-N	730.444	8.891	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	408859698	PKDMNCYQWMNMBC-FABQOPTDSA-N	639.105	5.159	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408870022	UMFSBGLXOONRDD-GOJREDGKSA-N	639.799	6.885	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408872180	APQYMKDEUDJMHK-AIMOZCANSA-N	759.428	8.016	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(Cl)cc1Cl	408877820	USBXLXSIADWJHD-BMWVXGTQSA-N	625.959	8.168	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OC(=O)c1ccc(Cl)cc1	408878658	BEXOKCTVJBAUTP-LDADJPATSA-N	618.709	7.337	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc(C(C)(C)C)c1O	408884655	XZGWQRATSBSPOO-HNSNBQBZSA-N	521.101	7.303	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1	408890462	UDIABRLSZYFJMO-CXUHLZMHSA-N	562.387	5.532	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OCc1ccccc1Cl	408890620	WOWROYYLKHDCFT-LICLKQGHSA-N	588.785	5.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1cc(C)cc(C)c1	408893134	FPPDWRLEQQBMFE-ZMOGYAJESA-N	580.466	7.048	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1OC(=O)c1ccc(C)cc1	408895736	LUDNFKLQDCNWCV-CPNJWEJPSA-N	538.341	5.373	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408899737	QQWMYBFFJWSTCQ-HPNXWYHWSA-N	623.503	6.606	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408900857	YCYAXLOXPVOUBQ-RPPGKUMJSA-N	638.225	5.992	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408925632	VEANMKBEHDCGGL-MMVATDKPSA-N	706.377	5.674	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1C	408943223	HGQYCCURQQCIQF-UUWRZZSWSA-N	686.234	6.212	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	408951428	TZSDTEQSWHODGJ-LJAQVGFWSA-N	797.499	6.461	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OC(C)C	408954472	XALUAOXCCVTZLB-MYKKPKGFSA-N	524.209	5.908	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)c(OC)c1	408956298	QMCKJZMRQPMICR-JRUUSQMTSA-N	665.143	5.355	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408957823	WJWHVAQHFDJXPQ-WGARJPEWSA-N	559.360	5.249	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408963461	DQOYTDPRCZOMPS-VOWJQMTESA-N	566.496	5.397	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1	408964477	RNJQZMCVGSZTIL-YPQIWLGZSA-N	609.466	6.115	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1	408979073	LCPSAZSOTLQGSP-LQYQJCSBSA-N	515.635	5.107	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cc(Cl)ccc1Cl	409029205	ZLYHNVOVRGEDRW-UVHMKAGCSA-N	540.856	5.142	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409038786	VUPJDQQNBXFZAP-WKULSOCRSA-N	661.281	6.662	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409043110	ZNCOUYWUZOCTOT-QMRORBIVSA-N	590.894	8.214	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409058044	SAGCKHWMUPYKIP-ATZGPIRCSA-N	600.499	6.053	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCc1ccc(Br)cc1	409066150	LWVWLBDGKNTLKE-KGENOOAVSA-N	501.380	6.971	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409068240	ICJXMFXEJLXAQB-CAOOACKPSA-N	512.305	5.724	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccccc1Cl	409074028	RMJMNXLKLIBOCJ-HYARGMPZSA-N	517.969	6.500	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C2=C1CC(C)(C)CC2=O	409126836	GCYYGWDCFFJSIP-XMMPIXPASA-N	754.363	5.766	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409141286	MUNVUUPOYIVWDR-SSNCBAMGSA-N	599.252	5.759	50	40	KKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c1	409188218	XNFNISZMMGWOHM-MUXKCCDJSA-N	560.286	6.191	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409217683	FEFGFTJIDKTYFJ-UHFFFAOYSA-N	621.433	6.536	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1	409227103	XKZTXHCPOHNKAW-SFQUDFHCSA-N	540.801	5.674	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)c1	409227732	VVOKQNASVUSFBW-UHFFFAOYSA-N	600.425	5.722	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409229157	KMTCPDQDTRXYOP-OBLBUWMUSA-N	560.275	7.128	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409256145	JWDAWXVEEZIDAL-AEUUOICLSA-N	670.589	7.415	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409262525	HQBOCFNJFOVMIV-YBFXNURJSA-N	524.404	6.264	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1	409263880	JHBJVNAFENQVTP-GXBUFBABSA-N	551.643	6.063	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl	409359225	AJVAOPNIYHEIDW-WSVATBPTSA-N	547.232	7.526	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409365212	QGZGSOAYGKGJTJ-DBFSUHOCSA-N	629.278	5.896	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)cc(I)c2OCc2ccccc2F)c1	409367854	IFYHAZRTQPXAOT-KKMKTNMSSA-N	660.221	5.395	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409381891	WZOYJNVXQFELOS-CCVNUDIWSA-N	516.823	5.642	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c(OC)c1	409383847	KVERUDXFHKSAFX-RPPGKUMJSA-N	687.228	5.164	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(OC)cc3)c(-c3ccccc3)c2c1	409394489	BARZWDADWZVODM-UHFFFAOYSA-N	691.376	7.750	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccccc1	409395078	JNMDPKQRMNGGNP-UHFFFAOYSA-N	669.732	8.136	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409395206	KYZONFOBDYWZKH-UHFFFAOYSA-N	743.193	7.948	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)cc1	409395568	PDIWXBFWOZTTJO-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409395654	QGZZNQGDEORVFO-UHFFFAOYSA-N	711.197	8.521	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(OC)cc3)c(-c3ccccc3Cl)c2c1	409395930	UBZCLYOABIBOQC-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2I)c1	409400020	AZTIPXIFNCZXSJ-KMUKQRDJSA-N	659.524	7.522	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1cccc(C)c1	409401432	HBZYWUIVEXSJKL-GZOMZLSJSA-N	691.022	8.732	50	40	KKGB	
C=CCOc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	1531386432	VCQFQPXTQFHFPJ-LJUMEUDFSA-N	578.463	6.366	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc([N+](=O)[O-])cn1	1876425	KKOCQIJINPJDEC-MWRNPHMMSA-N	558.603	6.055	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1OCc1ccc(Cl)cc1	2743678	VFBOSPYJNTYQJM-JOCHJYFZSA-N	513.819	6.132	50	40	KKGB	
Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Br)cc1	2777494	MEUYQXITJVELMR-DEOSSOPVSA-N	507.428	6.096	50	40	KKGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1	3087345	UACVTEXOYDZJKM-QRGYCXFASA-N	505.530	5.270	50	40	KKGB	
Cc1ccc(N/C(SCC(=O)Nc2ccc(OC(F)F)cc2)=C(/C#N)c2nc3ccccc3s2)cc1	3223111	DSWLZKHMHRXOGJ-HIXSDJFHSA-N	522.602	6.882	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	6177773	LIZZDALNEFQGAK-ATZGPIRCSA-N	531.487	6.723	50	40	KKGB	
COc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C(/C)c3ccc(C)cc3)n2-c2ccccc2)cc1	8398285	UTHMXDZPSZZEKO-BFDAQVDISA-N	514.655	5.217	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1	8454809	BEMFGFCJUYBODF-RSLIBCCBSA-N	500.280	5.499	50	40	KKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@]12C(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ccccc12	9282262	SZUMLKRGRMXDNU-MHZLTWQESA-N	514.372	5.303	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C)s3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9762408	TVMNHJQQCQJYCT-NTFVMDSBSA-N	503.697	6.153	50	40	KKGB	
COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1OC	16196071	UXYWJDIHIPYTIH-AJBULDERSA-N	515.610	5.059	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)C(C)(C)C	19956905	TZZSUYQWTRHOOP-ZTKZIYFRSA-N	512.075	6.196	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)c1	58914957	UWAFKJGUYDZVOY-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C(/CNC(=O)c2ccccc2Cl)c2ccccc2)C1	59211880	RMNVMDONURVCTJ-LMQTZDNFSA-N	539.120	5.580	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	59427804	LOQVBSMMTWUCPJ-QXUDOOCXSA-N	511.581	6.037	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCc1cccs1	59534315	PIURYHMVQXGOBZ-FYJGNVAPSA-N	503.421	6.466	50	40	KKGB	
CCN(CC)c1ccc2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)/c(=N/NC(=O)c3ccccc3)oc2c1	97958656	LBXASBUOWIDDGA-BFYITVNDSA-N	563.510	7.622	50	40	KKGB	
O=C(N/N=C/c1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1)c1sc2ccccc2c1Cl	97965610	WRZDOPKMGMCKJU-HZUVFDMRSA-N	551.480	6.951	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	97965766	HTPAPYLISMVOKY-RQRWGXNHSA-N	587.894	8.268	50	40	KKGB	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2ccc(NC(=O)/C(C#N)=C/c3ccc(F)c(F)c3)cc2)cc1	97984618	PCHIJMIJTVZSMF-NQGGHMMCSA-N	566.514	7.001	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	98000259	IWADHDBYFACFTP-PMERELPUSA-N	565.098	7.200	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C\c1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1	98001707	KCHALBSZMQUXQR-BCHBDCPOSA-N	645.529	6.376	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048761	GIAMWOFUWJFDPO-NDEPHWFRSA-N	540.645	5.416	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccccc1	100122655	NGUTUYOOLJAEIE-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cc(C)cc(C)c2)cc1OC	100304099	WOTALIFSDHYELL-ALQBTCKLSA-N	602.757	5.691	50	40	KKGB	
Cc1cc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c(C)cc1Br	100395019	NMRCQAZVYBNJKU-PZUNFIGCSA-N	619.192	5.343	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc(OC)c3)nnc2-c2ccc(Cl)cc2)cc1	100853368	YCAKVHJTUYAFDH-RDRPBHBLSA-N	536.057	5.628	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(F)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100903216	RRXVUQMGOVOFHH-DXJNIWACSA-N	531.657	6.012	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccccc1O	100935152	MHSWQXSMGWFFIT-VBQLZTBCSA-N	547.998	5.012	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C	100988911	FAWBCNBJJNIXBQ-DBTLDAOKSA-N	536.484	6.984	50	40	KKGB	
O=C1OC(=O)[C@@H]2[C@@H]1[C@H](c1ccc(Br)cc1)N(c1ccc(Cl)cc1Cl)C21C(=O)c2ccccc2C1=O	101071564	FMQCFIUDMIRRCJ-HKBOAZHASA-N	571.210	5.451	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccs3)cs2)sc(C(=O)OC(C)(C)C)c1C	101082779	YMSWKELURQGEHO-SDNWHVSQSA-N	501.655	6.350	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	102783933	XFBSSMBRWPJFJI-MHZLTWQESA-N	529.065	6.355	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)NC2CCCCC2)N1	102809817	XCYKSXDPZLSRAG-AREMUKBSSA-N	539.076	5.996	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341791	FABVOPLSFBHSQT-SFHVURJKSA-N	698.430	11.790	50	40	KKGB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S	150452332	NFXWLTVCXJHOOW-LDQGAXBRSA-N	648.857	5.219	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795330	CXHZHCYYBOMBEQ-DTORHVGOSA-N	916.101	11.531	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	216061240	RQCXSUMDTDSAIA-JFLMPSFJSA-N	546.259	6.343	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(-c3ccccc3)[nH]c3ccc(OC)cc23)c(C(=O)OCC)c1C	408547189	UGORXEDANCBPPT-XSFVSMFZSA-N	556.640	6.286	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408548572	IWXHOVATQSCFQB-CEUNXORHSA-N	533.469	8.653	50	40	KKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)cc1	408569708	PPRITNZSQHLONM-RDRPBHBLSA-N	522.740	5.948	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1OCc1cccc2ccccc12	408570415	UTRQJDBBZOHMSF-UXHLAJHPSA-N	514.672	6.427	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408608456	HLWYMAPZBCSROY-XODNFHPESA-N	520.800	5.713	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408657123	UCCPTXBCEMTETG-FFFWSKEGSA-N	675.176	5.495	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408676127	FTWASKBTHYHLQN-LQKURTRISA-N	553.413	5.309	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408677898	FHBYYVSYGFWRIN-YZEAIEHJSA-N	566.677	5.183	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408719507	MVYLXZFLMWLYDN-KBKYJPHKSA-N	553.196	6.016	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)ccc1I	408746204	CEWZTTYBVVBKJP-KVSWJAHQSA-N	578.237	6.374	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1cccc(C)c1	408746831	WIFFCOZSNXMMPF-ODLFYWEKSA-N	558.803	6.386	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	408777037	UTVILMHQCGNQIP-CHHVJCJISA-N	515.178	5.609	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408788495	DJVDNRIICDLCPB-UDWIEESQSA-N	614.290	6.522	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)c(C)c1	408789799	LQWXJUISWJWGAK-VXLYETTFSA-N	577.249	7.340	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1C	408793217	NXVAYNPYKHYVKA-QGMBQPNBSA-N	520.243	8.042	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OC	408794831	TVFGCSXVCSLINW-DEDYPNTBSA-N	554.384	5.823	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408795182	LLXGGBGAHYBHHC-HYARGMPZSA-N	579.447	5.914	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(I)cc(I)c1O	408799888	JAIDZMIPGKQBOK-VZUCSPMQSA-N	564.548	5.109	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1ccc2ccccc2c1	408813964	GGAOTZQTZQMXNG-MIXAMLLLSA-N	518.613	6.388	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408816388	LKSKHFGNJZWMEI-UUYOSTAYSA-N	565.420	5.357	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)cc1	408816972	UWJYHFYJNMACJW-DBSPGSINSA-N	569.640	6.949	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408822719	BTDGHIHQWNGKDJ-OCSSWDANSA-N	536.053	5.705	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c(OC)cc1Cl	408836013	PERLLKZBBMQUTJ-CAOOACKPSA-N	517.796	6.789	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)cc1C	408840077	AWHODKJVSSBDMU-XAZZYMPDSA-N	525.600	6.623	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccccc1C#N	408842499	OFAJRBMKBQWUDW-PTEHHBOZSA-N	705.500	7.052	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408857486	HCIKRQWXRGFLOC-KCSSXMTESA-N	623.573	5.828	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(Br)cc2)c(C)c1	408858325	YGESXWGEUGKHPH-CIAFOILYSA-N	509.831	7.152	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408858723	LIPZZWXQQWWSLF-KVAAJVFYSA-N	674.976	6.483	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1	408861298	BQTXEEZEDBHZMK-IPPBACCNSA-N	584.414	5.131	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2OC)cc1	408881068	LZRSGDPJLKSDST-STBIYBPSSA-N	548.393	5.240	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2F)cc1	408885044	WQQPOWHKGAFFDX-KGENOOAVSA-N	507.359	5.901	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccc(F)cc1	408889664	IQACGYDABCVITI-LICLKQGHSA-N	525.330	5.420	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2I)cc1	408891394	PZYYHKHGYJOZHO-OMCISZLKSA-N	734.115	7.544	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC(=O)c2cccc3ccccc23)c1	408893018	DXXJPMYUZRWTQG-XSFVSMFZSA-N	523.501	5.530	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OS(=O)(=O)c1ccc(C)cc1	408896838	UBQZWHBPWSQDAV-SFQUDFHCSA-N	517.390	5.624	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408904155	FOFXIMWJDPYFIH-ACXHZZMFSA-N	566.883	7.697	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(I)c1	408950837	SNETVDRAPPQTHO-HKBQPEDESA-N	813.512	6.671	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccccc1C#N	408963787	ATUYRRKMZYGYQC-AMVVHIIESA-N	521.346	5.073	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(I)cc(I)c1OCc1ccccc1C#N	408972652	UDMDJUSOLRTUBI-ZWBSKHKDSA-N	833.292	7.102	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2I)cc1	408995036	KXVKVJAXEXXHFG-YPXUMCKCSA-N	695.078	6.244	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1)c1ccc(Br)cc1	408998347	QBMUZFVNZSHBGV-UXHLAJHPSA-N	542.389	5.685	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408999376	CPLJIZSMKHDECD-XJESCPFFSA-N	642.348	6.079	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(I)c(OC)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409013847	NTTGUWUICCDIGN-CLHYIUPASA-N	707.609	6.948	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	409019903	XYKVHOJNFDKJMK-FKGAGEKFSA-N	579.528	6.445	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(Br)cc1	409039476	WRENSYNTEWMCPI-HNSNBQBZSA-N	566.455	7.016	50	40	KKGB	
C=CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc23)c2cc(C)ccc21	409041363	VCYOIYRTWJEOPG-OHUYPAJKSA-N	507.037	7.385	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1	409047591	OTYFQJBOVJQDCV-LZYBPNLTSA-N	581.091	7.643	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1	409049467	XAIGNBYTFKNDDW-GIDUJCDVSA-N	526.634	8.078	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCc1ccc(Br)cc1	409070105	XLTSMRQFUVOHCH-PXLXIMEGSA-N	551.868	7.354	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409071884	QJNLCFDXQBMDFZ-HMMYKYKNSA-N	539.009	5.399	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)C2=C1CCCC2=O	409122834	BVUOSFVEHVGAPG-QFIPXVFZSA-N	580.253	5.907	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cc(Cl)ccc2C)cc1	409150211	AMDMPQMWGPMQOQ-FJEPWZHXSA-N	601.885	5.306	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409151944	CTDJASYWUWHWPR-VPUKRXIYSA-N	628.694	5.524	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409219201	NZOGOOLQKUDJFW-NRPROXPXSA-N	643.052	6.291	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	409221824	BBWVWMZYCBSMJO-XWDKCVBESA-N	686.937	5.710	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)c1ccccc1	409238965	XRBCYQHKBDUDHP-OJSPLJLUSA-N	634.255	6.259	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409240336	SQTICAVPDVSRPH-MTJSOVHGSA-N	574.302	6.999	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCc1ccc(Br)cc1	409256324	NRFRITCAUGPBCT-OKCVXOCRSA-N	629.292	6.487	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409272401	PZJKLDIDXPPIER-MUXKCCDJSA-N	571.415	5.006	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1OC	409322880	LNDDNBIJSKSONL-FDVSRXAVSA-N	545.405	5.737	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	409364985	RYNUMCDHYCNICX-DICXZTSXSA-N	573.387	5.042	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1cccc2ccccc12	409373990	XKJGCRVLZSXPGH-MWLSYYOVSA-N	503.942	5.682	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc2ccccc2c1	409393825	SNPAUYDUZIXYMW-CFRMEGHHSA-N	549.383	7.625	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)c1	409394499	BECTUXGKMWJXFP-UHFFFAOYSA-N	690.392	7.418	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409394545	BYTDHYYVPKJNFC-UHFFFAOYSA-N	630.882	7.271	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409394639	DCNOGFWOAIBGIE-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409394751	FJXOOQNKDLHXKV-UHFFFAOYSA-N	619.846	7.076	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409396713	AJNSVKSMEGMDIF-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)c1	409397500	KMTJLPIILVGOCV-UHFFFAOYSA-N	615.427	6.431	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(N(C)C)cc4c3-c3ccccc3)cc2OC)c1	409397798	ODWFKCUNIBZLDP-UHFFFAOYSA-N	562.626	5.901	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409402921	LIELVTBSQUEVTH-ZQDAKBDFSA-N	608.091	6.413	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccccc3Cl)o2)cc1	409410502	XPVLGCGJLCROSX-AEUUOICLSA-N	602.474	7.556	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc[nH]n2)cc1COc1c(Br)cc(Br)cc1Br	1271018	QHLZAKZTDHCXSU-PGGKNCGUSA-N	587.066	5.049	50	40	KKGB	
O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	2096726	CSZAVTMVRCMFLD-NNLKUIAGSA-N	592.728	7.581	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/C=C/c1ccccc1	2224252	BTNLQRFTSSODLN-VVZUNISESA-N	500.649	5.234	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccnc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	2303929	UZXHXHOBDOWKLI-KBKYJPHKSA-N	509.187	5.502	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1Cl	2336463	FWYKNXAYAOOBSF-OWJYGESUSA-N	508.430	6.367	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2605357	JSQAKEDAEVPJCG-ATZGPIRCSA-N	567.637	6.502	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1cc(Br)ccc1O	2706448	VIDPBBRRWXDSAM-LGJNPRDNSA-N	587.297	5.407	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(Br)cc1OCc1ccc(Br)cc1	4047768	UKCLWYKGRWSZCE-MUFRIFMGSA-N	583.280	6.354	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	11852441	KTVVLIVRCXNIHT-PKAZHMFMSA-N	545.620	7.940	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	20197305	ZIIHZYJFMIINSU-CVKSISIWSA-N	512.360	5.489	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cccnc2)cc1)S(=O)(=O)c1ccccc1	20232344	DRFODEJJHSABIP-UXHLAJHPSA-N	519.026	5.203	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	28213987	DOHAPCZVQAOAGP-KKMKTNMSSA-N	506.773	5.193	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc(I)c1OCc1ccc(Cl)cc1Cl	35999815	LGCJHTDBYVZJRI-ZQHVWZEBSA-N	712.368	6.209	50	40	KKGB	
C/C(=N\NC(=O)CCSc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	58917722	ZNIIKBIUPLULPK-PBSQBQITSA-N	502.083	7.189	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc(Br)cc1	97961779	FUDMHSBVBGBVBJ-VULFUBBASA-N	546.215	5.593	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl	97964200	MIWVGRLXTBZQMU-OQTVDIKGSA-N	612.038	5.608	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	97986447	AMBFKSJPOMMKKE-MUUNZHRXSA-N	558.635	5.549	50	40	KKGB	
Cc1ccccc1CN1c2ccccc2C2=C([C@H](c3ccc(Br)cc3)C(C#N)=C(N)O2)S1(=O)=O	100032597	AZIWJSSWADCSTN-HSZRJFAPSA-N	534.435	5.284	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c1	100125603	XDWQLALVBFDNEO-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	100128081	PHMKVUSZDZGDLP-WKULSOCRSA-N	543.476	5.470	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)o2)cc1	100211296	OLIAHYYZDWAOGT-FDAWAROLSA-N	580.062	5.431	50	40	KKGB	
CC1(C)[C@]2(C(=O)N3CCCc4ccccc43)CC[C@]1(C(Br)Br)[C@H]2Br	100848581	DRBPTROIDJXVOM-NIKGAXFTSA-N	520.103	5.652	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1	100858118	QBCXJQDLZIVSRT-MZJWZYIUSA-N	562.921	6.117	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl	100985952	NOUDKQLKMCIOTR-KSEXSDGBSA-N	517.916	6.423	50	40	KKGB	
CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)cc1	102809082	CZAQZILFTQOQAV-WJOKGBTCSA-N	563.679	6.269	50	40	KKGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc3c(c2)Nc2ccccc2S3)c1	102966723	WEIXFFPHAUFAPW-UXHLAJHPSA-N	544.658	5.858	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2I)cn1	150352511	GBCLDMZFIPLPKV-KBKYJPHKSA-N	643.073	5.503	50	40	KKGB	
Cc1cc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N/c4ccc(S(=O)(=O)Nc5cc(C)nc(C)n5)cc4)c(OC(=O)C(Cl)Cl)c4cccc(NC(=O)C(Cl)Cl)c34)cc2)nc(C)n1	150396486	XUALNUBWOUYEJQ-JXGIUPSRSA-N	959.682	9.537	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	150423203	YSROGBMEEJTELX-JEPNHJGPSA-N	652.169	5.989	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795492	ZZRMWDWWVLJNFF-PMACEKPBSA-N	970.384	14.552	50	40	KKGB	
C[C@]12[C@H](c3ccccc3)C[C@](C#N)(O[Si](C)(C)C)[C@]1(C)[C@@H](c1ccccc1)C[C@@]2(C#N)O[Si](C)(C)C	257352502	LRHBAWMZMYGFDN-HYQNUUMSSA-N	516.834	7.602	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccccc1	408540262	PJJBMWKEQXBJON-VHFSBPNMSA-N	627.457	7.789	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1OC	408580353	OTTIDLDLABLNGT-GIJQJNRQSA-N	563.673	7.525	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1C	408606001	KRQCAQHPIZNRCH-NRFANRHFSA-N	535.044	5.087	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OCC)c2)cc1	408611763	SDAJTUFKMGGCBJ-OKCVXOCRSA-N	544.435	5.849	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408613487	ZWFPEGAQRYOYBF-IPBVOBEMSA-N	541.218	5.977	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccs1	408649419	YDFNBPXATSTUQO-LVEBTZEWSA-N	623.150	5.217	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408664128	YUOYMMNGELUKFY-PAADORIXSA-N	657.186	5.790	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408679326	DTSOTSRRNGLVCR-NCOADZHNSA-N	634.108	5.381	50	40	KKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408691906	XNMXDIBTZUYNSQ-JAIQZWGSSA-N	580.382	6.134	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408719054	IAFVETPUFXIPPO-WSDLNYQXSA-N	609.340	9.350	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Cl)cc1	408725526	LCSLJZTVFJPEES-LRSBSUGWSA-N	519.867	6.357	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cccc(Br)c2)o1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408732177	OXBQHIFGCURONA-BVMLUPFRSA-N	573.472	6.112	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408747426	NTFSJWCFMQRJCB-OCSSWDANSA-N	621.400	5.453	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc([N+](=O)[O-])cc1	408748250	AUCUQDJOXSQCNJ-JFLMPSFJSA-N	504.340	5.853	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408755135	MPPCDHXXKBKCLL-GRSHGNNSSA-N	600.263	6.433	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408759879	NIKYVVRIWRTUEE-QUCVJYLXSA-N	576.502	5.364	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1	408785096	YBEIZBDRFFTZSZ-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408788194	IXZLLAYKWCDOHI-SRZZPIQSSA-N	505.958	6.388	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1	408791125	ULDZCGWDLXJCIP-XSFVSMFZSA-N	514.379	5.784	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408793919	QWNOSYKPYYSZLY-FRKPEAEDSA-N	522.215	7.433	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(F)cc1	408807416	CUKSLCUPNQAFOP-YVLHZVERSA-N	546.311	5.703	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1	408807737	FBIGJETUMQBKLO-GRSHGNNSSA-N	574.244	6.162	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccc(Br)cc2)cc1	408824857	BICOATTUTBTUBE-DPNNOFEESA-N	653.530	5.260	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408831682	UYOGTVYXYHOQFA-ALQBTCKLSA-N	655.560	5.755	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	408835576	OCDHBZAJKNYVTH-DEDYPNTBSA-N	551.824	6.248	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Br)cc(Br)c1OCc1ccc(Cl)cc1	408837588	JMNCEDPGPWJBIU-KVSWJAHQSA-N	612.771	6.836	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408837797	NTMQYDCNDZAXCJ-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)c2C)cc1	408840901	DAPCYFZSRNFYIQ-KCSSXMTESA-N	535.673	7.042	50	40	KKGB	
CC(=O)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1	408844274	HPKZQDJOTKFVMF-ZXSNDDASSA-N	530.628	6.549	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408844724	WCCTZUARSCPOPR-XZYGTATASA-N	640.589	6.934	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408846373	SBYGMMGRTWCFCR-PTEHHBOZSA-N	714.842	9.214	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2I)c1	408851367	CATVAPKBXWBDEQ-WKIKZPBSSA-N	589.227	6.451	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl	408851918	BMMXBHLMSOZCBV-MNBJERMJSA-N	504.417	7.088	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2cc(C)cc(C)c2)cc1OC	408856061	APXQGNPZCKEADQ-ALQBTCKLSA-N	622.143	5.899	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccc(C)cc1	408861681	UTPPSYNCCRBQOQ-GOJREDGKSA-N	591.733	6.635	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408876209	NUSJCSFSFGHQSH-XICOUIIWSA-N	636.170	6.370	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1ccc(Cl)cc1Cl	408877336	UYVNSTNOJZIBDY-RGVLZGJSSA-N	574.302	7.842	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408877937	YLLZLNAGFGLTSM-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl	408883672	RUFWZPRPFRHOCS-RQZCQDPDSA-N	638.245	7.030	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Cl)cc1	408884478	XGCPJIWYPBTMTF-OQLLNIDSSA-N	556.254	6.922	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1Cl	408884601	YMYWFAYJAWSOSB-KYHGBAKBSA-N	609.104	5.038	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1ccccc1Cl	408884885	YXBKHFKDHWVZNX-XODNFHPESA-N	552.252	6.506	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC)cc1	408886173	DVZVWOGEOQQXGN-OQLLNIDSSA-N	522.193	5.333	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408892969	DNWDRJXQOCFODK-HBHSWBPBSA-N	677.499	7.037	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1	408954109	YMDVXFTZGTXGJH-LJAQVGFWSA-N	726.606	5.220	50	40	KKGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408973101	RZVZSJHXWRFXCH-RKRZQOSRSA-N	506.430	5.007	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	408973821	VJLSFFBETWQPQZ-LKUDQCMESA-N	533.068	7.611	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408982011	XFTZRDWGDYDCJU-IQZQLMGCSA-N	569.492	7.008	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408982439	XXFNTIPRXIOYBR-AXMMYCDFSA-N	556.460	6.040	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1C#N	408982605	IGMJQBARAWNIGK-UKWGHVSLSA-N	536.813	6.416	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(Br)cc1	408985425	WUZIJRHSNSOLJL-ZDLGFXPLSA-N	637.699	7.149	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1	408988870	GFRCJPKTYKMTBI-IQIUKSJCSA-N	761.282	7.822	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	408989961	JOWGHJVHZBLZTF-LFIBNONCSA-N	506.996	6.863	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1ccc(Br)cc1	409010606	CMSOKFUBKJMQEK-VPUKRXIYSA-N	763.018	7.676	50	40	KKGB	
COc1cc(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1C(C)C	409015334	OTFCNJODRPSCEZ-GCSIULRZSA-N	536.500	5.882	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	409024469	YSUKNNQZZWDHDY-YNFMAFFXSA-N	695.149	6.473	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409034075	HBAWRWCNUQVZIX-MNDYBZJGSA-N	705.290	5.817	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4c(OCc5ccc(Cl)cc5Cl)ccc5ccccc45)cc3)cs2)cc1	409039004	WKFRMQHPBNFYAM-OEPDXVHDSA-N	637.592	9.665	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1	409043481	RAFJDNKAUNLMLS-LPYMAVHISA-N	519.236	8.008	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409065096	GCAISUUCMBOHKM-LFIBNONCSA-N	624.840	5.362	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(C(=O)O)cc1	409066319	BRARFWZTYQIESX-LPYMAVHISA-N	536.506	6.265	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409066327	LDUOYJMRSQPCGH-CJLVFECKSA-N	520.582	5.575	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)cc1	409073066	OQUDGZYGLUXKCB-GZTJUZNOSA-N	620.275	5.312	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1	409130968	XLLJSWPWAQLPQM-FMFFXOCNSA-N	608.116	5.672	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1)Nc1cccc(C(F)(F)F)c1	409157741	QFTYOOJFJQSNAB-PNQUVVCRSA-N	553.324	5.119	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4cccc(F)c4)c(I)c3)cc2c1	409184293	KERRNRFXGIIVRZ-DBFSUHOCSA-N	684.243	6.523	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OCC)c3)cc2c1	409186899	JGKODKJWFWIZRB-MNDYBZJGSA-N	510.949	6.366	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc(Cl)cc1	409189573	QQRHHOIRVLSFHI-LICLKQGHSA-N	536.797	5.498	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	409219815	VGFHPCPMDYQKFW-AVQJHCKASA-N	560.053	5.231	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Cl)cc3)cc2)c1	409220232	ZRTINIADIGSEMP-LJUMEUDFSA-N	556.962	5.792	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)NCCCc1ccccc1	409241599	KFWHAOUHZXDLRS-BKUYFWCQSA-N	682.727	6.784	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409253296	WTEYZOKGIUMYGY-VYYCAZPPSA-N	577.806	5.125	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409269165	GHKAWGPDSWQMAM-LPYMAVHISA-N	562.464	6.336	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409273042	UYSUSHDNRLCWAB-ZZUCRVHTSA-N	530.383	5.223	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)ccc1OCc1ccccc1	409309547	IWUKZUIPCXQNJR-DLCNMLRHSA-N	592.479	6.671	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1OCC	409312307	KRVKHSGQFPGMRL-FDVSRXAVSA-N	501.410	6.442	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OC	409313352	POOUGIPQXJMKRZ-APTWKGOFSA-N	638.502	6.983	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1OCC	409325819	BMBBPDBSQSYTQX-CAQPMQTCSA-N	577.475	6.751	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409336298	RLBUCMNUOXVNOZ-OHUYPAJKSA-N	590.032	6.577	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccc(I)cc1	409371465	GCAFGEDCWGVRQC-LCYFTJDESA-N	521.108	6.286	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1cccc2ccccc12	409371845	IYFJUWCFLSIBGU-MWLSYYOVSA-N	548.393	5.791	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	409375185	GVVRZYPJSVYNHA-WOJGMQOQSA-N	538.354	5.456	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409397031	FGWOBZUOZSKVQO-UHFFFAOYSA-N	572.448	7.524	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409402358	JVYQQNFGKRFBJS-VOEGGJIGSA-N	703.384	6.504	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccccc3)o2)cc1	409405700	USDXHURWHSMXGF-HQDYHJHZSA-N	599.043	7.171	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccccc3)o2)cc1	409408211	JIWLUDAPEQWVTI-FMFFXOCNSA-N	533.584	6.249	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](OC(=O)c5ccccc5)CC[C@@H]4[C@H]3C[C@@H](Br)[C@@]2(O)C1	575624721	TZBBEXALLZOART-ROKOXJEPSA-N	533.503	5.675	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C	1529547826	PNNFKRNTHREQBX-YLLHDNBESA-N	595.725	5.132	50	40	KKGB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)c(OCc3ccccc3)c(Br)c1)C(C#N)=C(N)O2	2159879	WMUVSAHFKGHRHE-XMMPIXPASA-N	592.291	6.503	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3c(OC)ccc4ccccc34)nnc2-c2ccccc2)cc1	2230771	MKNPHEVHVOYLPD-UXHLAJHPSA-N	523.618	5.347	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	3116309	IIGHJKGQHSRDSG-KVSWJAHQSA-N	578.232	5.716	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc(Br)cc1	9086524	UONWVGUDQWROOS-IMRQLAEWSA-N	520.456	5.638	50	40	KKGB	
Cc1ccc(-c2csc(N3C[C@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)n2)cc1	9591771	OXDMWHOFRYGEAL-WIYYLYMNSA-N	500.979	5.034	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/C(Br)=C\c1ccccc1	13617683	XRXJDTNHFBYTLP-WQEBFIPHSA-N	505.488	5.461	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	20348613	LZLSALZVNMJOOW-MHZLTWQESA-N	512.610	5.841	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2ccc(Cl)cc2C)cc1	59647393	LIXQNFXZRHEPAP-IPPBACCNSA-N	523.964	5.321	50	40	KKGB	
CCOC(=O)[C@H](Cc1ccc(OCCc2ccc(CC)cn2)cc1)SS[C@H](Cc1ccc(OCCc2ccc(CC)cn2)cc1)C(=O)OCC	72132686	XXXWCSPZHMJCDV-MAZIBIHTSA-N	716.966	7.874	50	40	KKGB	in-vitro
C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(NC(=O)c2ccc(Br)o2)c1	97965691	YUZNUEOJOPALPG-OKCVXOCRSA-N	530.378	6.072	50	40	KKGB	
Cc1c2c(c(C)n1-c1ccccc1)[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(c1cc3ccccc3n1C)N(c1ccccc1)N=C2	97983514	JHHQXDZURUFJLB-SJARJILFSA-N	663.516	8.509	50	40	KKGB	
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2nnc(SCc3ccccc3Cl)s2)C2=C1C(=O)CCC2	98007117	PDXVWNHWTZLHOT-MHZLTWQESA-N	561.092	5.203	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100081481	GWVZGXGVDQEQME-DPNNOFEESA-N	597.568	6.870	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccccc2C)cc1	100123189	UCPDUVBQGYQIGW-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100129030	AISDZAZZUOTOAX-OKCVXOCRSA-N	556.475	5.142	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl	100336704	OUDMJFUVKRXJRW-ZDLGFXPLSA-N	546.748	6.505	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1	100340248	KLXBTFXSWWBVOP-PKAZHMFMSA-N	536.455	5.338	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1cccs1	100403876	UWDOEQIBCWJMOF-WKULSOCRSA-N	524.429	6.650	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc(Cl)cc1Cl	100852202	JQWCGKRQJJPYKO-BIZUNTBRSA-N	566.558	7.480	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cc(Cl)cc(Cl)c2)=C(C#N)[C@H]1c1ccco1	101305277	XRZFAOFSANRUIO-QHCPKHFHSA-N	554.455	6.355	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	101555449	VEFZDPXNWFCNSB-LJAQVGFWSA-N	572.130	7.077	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)N1	102807609	YNIMJJLZGGGTPW-DEOSSOPVSA-N	557.981	6.903	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(C)cc3C)N=C3CCCC(O)=C32)ccc1O	104118545	JSFYZOGVDRAUSG-RUZDIDTESA-N	503.624	5.967	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342028	DLHAAKKQAUKKKO-UWTATZPHSA-N	842.037	10.293	50	40	KKGB	
COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cc(I)c(OCc4cccc5ccccc45)c(OC)c3)s2)cc1	150434410	ARYPGLYGPORJHU-ATZGPIRCSA-N	707.550	5.837	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1Cl	150472429	JSWUHGLRAPFVNM-RQZCQDPDSA-N	619.799	6.082	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	162473881	INTVHRASJQSDAP-MWBNBJEGSA-N	721.457	7.088	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	162479219	OEFRIGRAYSPZEL-FABQOPTDSA-N	687.012	6.353	50	40	KKGB	
COc1cc([C@H](NCCCN2CCN(CCCN[C@@H](c3cc(OC)c(OC)c(OC)c3)P(=O)(c3ccccc3)c3ccccc3)CC2)P(=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC	169809259	CSTXFNQWMAWLCX-RDTHBMROSA-N	961.090	8.041	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408540607	UJMBNUJVRIDWED-KDHRXPGNSA-N	632.713	7.213	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1ccc(C(=O)O)cc1	408541240	FLPZGJSUAVZZED-NVMNQCDNSA-N	503.179	7.097	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408565783	AJMYPDKXIKOWQL-CHHVJCJISA-N	500.730	6.900	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408591202	RZJNYQWOWFQBPD-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1)Nc1ccc(Oc2ccccc2)cc1	408691273	ZDDMRXPWHPSQAH-ZTTYKKJNSA-N	579.436	5.245	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccccc1	408711731	HVYJWCLFRPDICZ-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3C#N)c(I)c2)c1	408743968	CVVHXOFFHWYAGU-JMIUGGIZSA-N	675.264	6.291	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408744622	MIABQHLTXOTRKB-UNOMPAQXSA-N	572.374	5.962	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747303	LVZQRHVLIFWMFB-MFOYZWKCSA-N	603.210	5.907	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1	408753517	AKJDHHISRLQLQM-VMMJCZBFSA-N	622.585	6.333	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408757573	ADBCHHBUWXUQNC-PXNMLYILSA-N	716.993	7.703	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(F)cc1	408789475	JMXDSKLTUTWKBN-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408792211	JORKQVCAPRTWLA-CIAFOILYSA-N	597.409	6.340	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1	408794491	JIYCHLZKFQJBOH-PCLIKHOPSA-N	571.471	7.524	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408794905	KJDGVUUIGIQCST-RQZCQDPDSA-N	593.646	6.832	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408796359	NURHKPRPBYPXOO-WOJGMQOQSA-N	556.800	6.534	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798246	VIBTWZUMMTZSRV-KOEQRZSOSA-N	586.429	6.995	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408799070	YAPUNGHLKNADEC-VXLYETTFSA-N	511.361	6.215	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br	408810289	PGCRCCSVOJCTOC-UDWIEESQSA-N	566.282	8.342	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	408814181	RUKGAWPLQGQUBZ-RQZCQDPDSA-N	630.351	5.140	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1	408833223	WVHYSEDSKMIYES-JEPNHJGPSA-N	639.561	5.077	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408838523	XLDOTPJAGJCCHY-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408853198	ZQLFYAPMKGJCKK-IDWIKUEFSA-N	609.082	7.756	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c2ccc(C)cc2)cc1Br	408857009	JCIDBVDVTDZKJB-HNSNBQBZSA-N	652.567	5.699	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408862379	FLOIOJSWNWJYCD-FABQOPTDSA-N	646.980	6.970	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(Br)c(OCc4ccc(C)cc4)c(OC)c3)cc2)CC1	408863347	NKYQOSKRVFKCJT-SEBMTOOBSA-N	657.609	6.440	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	408864172	UGRRWNYKCSHTOG-BIZUNTBRSA-N	591.089	5.088	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408868710	OCQWTIMWDXBXID-VCHYOVAHSA-N	530.647	7.001	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408874658	DRSXVNWMDDVRTG-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc(Cl)c1	408878119	WPPDDDSYSIVQTH-VCHYOVAHSA-N	529.793	6.765	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1Cc1ccccc1Cl	408884019	WLVDWVFMFAKBKU-CIAFOILYSA-N	523.858	7.255	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)c1ccc2ccccc2c1	408884183	XXWIBIQKMXWPLK-FDAWAROLSA-N	523.386	6.739	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1cccc2ccccc12	408885318	ZHURIMJLFNYQCO-FYJGNVAPSA-N	503.385	7.280	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OC(=O)c1cccc2ccccc12	408894968	JYBYMCOXHXPHLN-RCCKNPSSSA-N	634.324	7.837	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OCc1cccc2ccccc12	408899569	QMMINFVYLMLACN-KGENOOAVSA-N	503.385	7.280	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c(C)c1	408906112	AOTRNTQFJUVZAN-FDAWAROLSA-N	532.482	6.551	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408908051	AOEFQMYBEGLRIB-FABQOPTDSA-N	628.350	7.120	50	40	KKGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	408912253	POOKENACEYHJTC-FJEPWZHXSA-N	553.990	5.492	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)c1	408925508	UIMIFYQFIISGOG-LSYYGSJISA-N	750.430	6.072	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC(=O)Nc1ccccc1	408933288	AHVZONKVHQOJLI-GKVNEZTPSA-N	698.561	7.237	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1OCC(=O)Nc1ccc(C)cc1	408942792	LHBZMNIFBXWLKR-MUXKCCDJSA-N	536.382	5.294	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(C(=O)O)c1	408953638	WVLNXQWJEWHZKQ-IPHFVPNQSA-N	559.622	6.502	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408962360	HSOFQYOGLRGZIH-KLPHOBTLSA-N	637.223	7.358	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408962877	KWFFLNFFASJVAH-VFLNYLIXSA-N	613.330	5.960	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccc(C(=O)O)cc1	408965530	IICCIDVLRCBKAV-KVSWJAHQSA-N	649.235	5.850	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408968895	CLTSORUQQAOPLV-UVCDUWBISA-N	619.332	7.205	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2OC)cc1	408973136	ZENHUHJOKTZGFO-YYADALCUSA-N	528.649	6.966	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1Cl	408984548	RUSZNEHPGZZLHQ-GRSHGNNSSA-N	607.275	7.430	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1	409000812	YNKWJVQYDLKBEA-BKZXGXTDSA-N	530.024	6.400	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409007442	WMHRYADMKFESOQ-VUQNLQSRSA-N	585.443	6.995	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc(Cl)c5)cc4)cc3)cs2)cc1	409030993	GDCQJVQBILSYFU-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
N#Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccc(Cl)cc4Cl)(c4ccccc43)[C@@H]2C1=O	409042925	LOWYKEPGUCHABK-VFWVJVPZSA-N	591.454	5.832	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(OCc2cccc(F)c2)cc1	409042955	LWFHCGQUFXYAKU-NNLKUIAGSA-N	568.652	7.791	50	40	KKGB	
Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)cc4Cl)c4ccc(C)cc34)c2c1	409046473	KHMABYIITLRIKR-CVUIAOGPSA-N	625.987	9.554	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCc1ccccc1Cl	409070496	YNQLXPXWFZCZMP-XQNSMLJCSA-N	502.998	6.600	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc(Cl)c1	409078068	GRUKDOGFROPZIA-AWNIVKPZSA-N	622.613	7.019	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	409079566	KYKOPYBNZCXNOR-MHWRWJLKSA-N	501.848	6.913	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	409089985	NYDKJCJNOGGGEL-VGOFMYFVSA-N	501.238	6.574	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1)c1ccccc1O	409121495	XLAOTEPFQVNYPX-NUJZUDFISA-N	539.495	5.691	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	409141867	CBUHPCTVSPVDMK-FHMAFLEASA-N	624.922	5.998	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409153185	LBBKTPUCSBVZTA-IURWMYGYSA-N	683.330	5.720	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1	409154417	AKLBMZLMGIIJHF-XAZZYMPDSA-N	546.933	5.028	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)cc1	409157261	PLGCVAYPYGWOPR-KPGMTVGESA-N	672.520	5.120	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(Br)cc3)cc2)c1	409220454	ZWZTXCUEZRKIDK-LJUMEUDFSA-N	601.413	5.901	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1	409222683	DDWIQPQHCDHOBT-RQZCQDPDSA-N	637.250	7.102	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409223158	HJBJSKXBWXUDRF-YBFXNURJSA-N	568.855	6.291	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409254810	FUCXOZZHCXLRNB-MBTHVWNTSA-N	524.415	5.246	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)cc1	409263649	NKHVUIJRAUZXHP-HQDYHJHZSA-N	640.563	7.406	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)c1	409265377	UNNYZOVHGBXSQG-YBFXNURJSA-N	538.829	6.283	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)c1C	409267118	LYUPZUWDWPDYBY-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409309414	GTPUHZONUQRQEB-SFTDATJTSA-N	602.418	5.521	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1OC	409317097	ORQGUJQREZJZGJ-NUJZUDFISA-N	610.730	7.005	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OCC	409317561	VJJVNNJSIUWRSW-MNDYBZJGSA-N	545.419	6.222	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)cc1OC	409318261	VHMHLGGCVYEYFK-PPDIBHTLSA-N	582.676	6.225	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	409371930	BZGZEHFYZLOLFS-AMVVHIIESA-N	694.161	7.321	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc(C(=O)O)c2)c(OC)c1	409371951	CGIQDJMDVYJMKI-FJEPWZHXSA-N	563.404	5.661	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c(OC)c1	409383989	UBPNAZPUUKFJGJ-UVHMKAGCSA-N	533.806	5.471	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccccc1C#N	409384357	BOCHYTOEJBDLEC-XODNFHPESA-N	520.954	5.686	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396111	AWPWYNKGEOHEMZ-UHFFFAOYSA-N	593.039	6.750	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)cc1OCC	409396401	YCSZKFQVJMUFJR-UHFFFAOYSA-N	755.463	9.294	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409399097	XTBOPSBBKPVNFM-UHFFFAOYSA-N	650.451	7.998	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC(C)C	409405973	VNHBPCJBFCHOGC-UHFFFAOYSA-N	536.028	6.479	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1	1529547969	SXMWLFXDGOIIDK-JYALLGCPSA-N	655.546	5.052	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	1246810	KHTKMKADFCHRSE-MUUNZHRXSA-N	542.661	5.866	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1	2089737	JXLXVKCRGYRZMP-LJAQVGFWSA-N	558.053	7.008	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1cc(Br)ccc1F	2706598	PRXHQFROVKNYDX-UVHMKAGCSA-N	589.288	5.841	50	40	KKGB	
Cc1ccccc1NCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	3116461	YOZNMWOODDJLEP-KVSWJAHQSA-N	563.221	5.441	50	40	KKGB	
COc1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	4045295	LXVFCPQOZQMSBZ-QNBQWMASSA-N	511.987	6.550	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OC)cc3)cc2)sc2c1CC[C@@H](C)C2	6167177	CYPYSVIJHKYKHR-FMONZUKSSA-N	563.676	5.228	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)c1	8426164	QPWNCYHOIVAURW-XVAAYUMESA-N	516.406	7.195	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1	20233371	MAJYYIUYLLXBMH-LQKURTRISA-N	514.047	5.105	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	28217902	SQYZUVVVMBOUDE-NSKAYECMSA-N	509.187	5.502	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1ccc(Cl)cc1Cl	30843296	KOGQGJZNVLIZKM-QDTIIGTASA-N	501.366	5.367	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)OC(N)=C(C#N)[C@H]1c1ccccc1	53332619	VLYVIRGVZHSTSD-RUZDIDTESA-N	569.712	5.087	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc([N+](=O)[O-])c1	59336483	NUFKFZDCGIYICG-MOSHPQCFSA-N	508.361	6.755	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccc(O)c(OC)c1	97951577	XSQJPDOXYSTYNF-RUZDIDTESA-N	540.041	5.160	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	97962653	ZNKGOTHPKLZBGN-HDQUPXCUSA-N	771.437	6.898	50	40	KKGB	
COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OC)cc2OC)cc1	97965615	JRRUSAUSMKBPCH-KGENOOAVSA-N	528.996	5.823	50	40	KKGB	
Clc1cc(/C=N/c2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)ccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1	97983186	PMXQFZWTAAQZLO-ZFXDWIKQSA-N	766.265	11.709	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(=O)OCc3ccccc3)=C(C)N2)cc1	97999375	NVXFCDZSZYUWIQ-MUUNZHRXSA-N	560.075	6.160	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2cccc(F)c2)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12	98008238	VNLHJLZEZNXZAI-UUWRZZSWSA-N	558.588	6.471	50	40	KKGB	
COc1cc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc(Br)c1O	98048457	IFDBEFBLVAXBNV-CQSZACIVSA-N	520.836	5.345	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1	100875684	RKNXPYICICBYNB-YMGIJWJESA-N	534.435	5.523	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	101733220	JAYWBCJGFPFNBH-ZCDXZNDBSA-N	532.553	5.855	50	40	KKGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNc3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c34)cc12	102364466	HSJXNNWAPIZFDO-UHFFFAOYSA-N	581.727	5.656	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl	102718298	MGPFJTZGNSYUCU-MUUNZHRXSA-N	593.536	7.017	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	102810040	FJOSWURYOQQILX-XMMPIXPASA-N	538.551	6.005	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c32)ccc1OCc1ccccc1Cl	103561987	HAUQHDSNCAJCLS-JGCGQSQUSA-N	628.125	6.266	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc3ccccc3c2)N=C2CCCC(O)=C2[C@@H]1c1ccc(Cl)cc1	104103173	QLGJJPCHHXYWNC-AREMUKBSSA-N	500.023	7.134	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(Cl)c3)N=C3CCCC(O)=C32)ccc1O	104132248	DIYURRBICRPVLC-DEOSSOPVSA-N	510.015	6.004	50	40	KKGB	
FC(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342257	PPAHETMHFRSKRX-REOHCLBHSA-N	792.030	9.658	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)c1cc(Br)ccc1O	150420693	AGVGNLGJXRZPPC-IXKADDJXSA-N	661.339	6.428	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2	253388809	QSIKETLMFYAUIR-HEAPHQMMSA-N	639.709	6.296	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552384	SMTRHCHOJSIZOF-RQZCQDPDSA-N	634.326	7.535	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccccc1	408570141	RYGAKJUTALWXPP-MUFRIFMGSA-N	543.110	6.325	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1OC	408578911	BSTRATYASQXUIQ-GIJQJNRQSA-N	547.218	7.011	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OS(=O)(=O)c1ccccc1	408581480	XENHDJWXMPSNHP-XDHOZWIPSA-N	531.371	5.440	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(Cl)c(Cl)c1	408589024	XXGUAMUVDUVIGX-APSNUPSMSA-N	528.060	8.706	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1	408605573	MEJLCYYCLNXJMF-QGOAFFKASA-N	522.483	5.942	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1	408637235	HWWANPZUAWLXNK-ZOYWYXQUSA-N	614.113	7.720	50	40	KKGB	
O=C(CCc1ccccc1O)N/N=C1\C(=O)N(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc21	408718597	GVBNVNPFXNICBV-MDVFONAFSA-N	554.444	5.744	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1	408733466	XZDNGZYJOMHHEP-YDZHTSKRSA-N	619.346	8.806	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408747385	NDAZHMBDDVCTGD-XYGWBWBKSA-N	551.444	6.853	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408754101	PJRFWBAZBFYCBE-ZDLGFXPLSA-N	603.210	5.877	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2C)c1	408762880	MUBSZCQBXWNVAC-PXLXIMEGSA-N	560.532	7.668	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(I)c1OCc1ccccc1	408765506	LOHFWLBRWLSGMN-OKCVXOCRSA-N	581.410	5.346	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OC(C)=O	408765705	NIZSSTCUOFMXHQ-WOJGMQOQSA-N	526.330	5.314	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1	408776283	YFLOVKATOKXLNO-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)c1C	408790095	NNAXUIPVLOGPOM-VXLYETTFSA-N	666.151	7.558	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408790205	VBDRMGVTSSAHJD-RGVLZGJSSA-N	583.382	5.950	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1	408792252	ABEAVCLINXAECO-YBFXNURJSA-N	804.160	6.802	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408799056	XZVTXLXPBWTLPU-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1F	408812020	AYVQOZHVNHIDJF-CHHVJCJISA-N	599.081	7.782	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408812208	CRTIQEQNOKKSHR-PXNMLYILSA-N	505.760	6.919	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408827162	UTMZJOQMCXGOEJ-CAQPMQTCSA-N	609.104	5.120	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1ccc2ccccc2c1	408837976	BBGXDYACZOGDQR-XZYGTATASA-N	576.125	8.532	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(I)cc1	408839284	QARSNWNVZRJRES-XJECJHNESA-N	709.009	8.472	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)c1cccc(C)c1	408839534	UEXJJXSPPBAINO-UXHLAJHPSA-N	511.534	5.222	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840082	XLOUWZAVJZTOFQ-FJEPWZHXSA-N	516.985	7.370	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)c1ccc(OC)cc1	408840621	ZORBNBLCMGALNC-FMFFXOCNSA-N	567.598	5.338	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1cccc2ccccc12	408842329	KIQPGIKAXRHVCI-ODQASSKESA-N	669.523	8.102	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccc(Cl)cc2)cc1	408857521	KGQQRWTXPYYAEC-DPNNOFEESA-N	609.079	5.151	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408866907	JZADDLTWRGASLM-MUFRIFMGSA-N	544.073	5.037	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)c(OC)c1	408868997	QWJOOHSYHHARIS-ZMOGYAJESA-N	587.470	6.430	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408882189	QHMPTANZARTQCJ-YBFXNURJSA-N	535.940	5.729	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	408888050	SEPMUGNVNWSPLB-HMMYKYKNSA-N	513.531	5.370	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OCc1ccc(Cl)cc1Cl	408888413	VFTHWIKUCCLJSZ-RQZCQDPDSA-N	579.221	6.731	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408891814	VSSDPTHOGUHJRR-XCVCLJGOSA-N	564.017	6.371	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(I)c1	408896845	UFMCKKZHXQLNIY-NTEUORMPSA-N	509.141	5.164	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408899491	PTTYFKTUOKVVIF-OCSSWDANSA-N	508.405	6.526	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1cccc([N+](=O)[O-])c1	408904622	MHSBQHHFRMUNTO-MXAYSNPKSA-N	513.348	5.409	50	40	KKGB	
CC[C@H](C)Oc1c(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	408908720	CWDZWZDVCMTKSR-ADXYVXIDSA-N	511.416	5.021	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)c([N+](=O)[O-])c1	408921568	BDNLDMGQPUUKJU-GIJQJNRQSA-N	601.251	6.562	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccccc1	408949356	HTAIPZIMXUGQLW-UCQKPKSFSA-N	544.449	6.174	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408953043	LITAUOZDIRJNEC-ZNIUGAHFSA-N	577.419	5.454	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl	408963526	FHVPRUJHYRMPBT-JPXOHXSUSA-N	654.978	6.880	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408966533	PAAGASDOUBDIAA-XODNFHPESA-N	536.928	5.093	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(F)cccc1Cl	409028374	MMIXYSMAUNWISX-RPPGKUMJSA-N	514.793	5.132	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409030778	FFUOOIXWDTVXIJ-DLCNMLRHSA-N	588.864	7.800	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409033088	KYIJDTQYHHSOGD-XICOUIIWSA-N	554.675	8.050	50	40	KKGB	
Cc1c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1Cc1ccc(Br)cc1	409046841	RXLAUUXXINUYKR-OJYCWLPVSA-N	573.494	7.740	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409048085	RDANKJHNYXMZCI-XDHOZWIPSA-N	550.409	5.425	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2cccc(F)c2)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409048420	OLOWLTWPCAHXIJ-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OCc1ccccc1Cl	409048744	TUCLADHLSUXQLK-KVSWJAHQSA-N	628.692	5.857	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	409091184	QDDLHONIUAXMOD-OVCLIPMQSA-N	513.293	6.456	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(I)c(O)c1	409105281	MCLMWCUKFPKOAA-FSJBWODESA-N	508.768	5.565	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	409133180	ZZINEYLFVGSCJO-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	409148402	YMBQSEREZIGXMM-VFCFBJKWSA-N	514.047	5.059	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409151083	GLEXJOHGTATVEQ-AMVVHIIESA-N	557.434	5.115	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C(F)(F)F)c(OC)c2)cc1	409157340	MJYGEPFCOKEDEL-ROPCREHHSA-N	649.420	5.148	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C	409161005	SEFYFVJVJMZOSV-AABVJFSESA-N	690.966	5.559	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3C)c(OCC)c2)cc1	409163082	LQTVYTHHXGSTGY-KPGMTVGESA-N	643.922	5.481	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409200106	GRBTUIODYDZYPQ-MFOYZWKCSA-N	626.163	6.586	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	409211064	KLBQTCGQTHFDDV-AMVVHIIESA-N	529.876	7.621	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409217545	DCOPBKFDJOWYPP-MFOYZWKCSA-N	504.167	7.307	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	409223206	FYGGPWICXCOOCP-KWJVIYIFSA-N	640.537	6.498	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1	409254712	ILRPCQBVGHHGQV-BKUYFWCQSA-N	517.969	5.307	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)ccc4OCC(=O)Nc4ccc(C)c(C)c4)cc3)cs2)cc1	409256171	KFGZHCSCNQFAFA-VHFSBPNMSA-N	624.166	7.914	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	409256949	QTLZTZDCQFKTNY-QDYAICPJSA-N	500.357	5.215	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409257731	RZSRHRCZJBJDKL-VHFSBPNMSA-N	684.616	7.723	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409260031	JOFXHNGYAWQSTL-PPDIBHTLSA-N	506.773	5.437	50	40	KKGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1	409260065	KEZISTOXXWLVCU-DOHIBDINSA-N	510.421	5.638	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409262872	GAOVMYXGSAKUJF-YBFXNURJSA-N	505.958	5.234	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409268376	ZHLOTEVQQMXCAT-NVNXTCNLSA-N	545.766	6.118	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)ccc1OCc1ccccc1	409309208	CXTDAQIRENFMJE-OHUYPAJKSA-N	559.018	6.359	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)ccc1OCc1ccccc1	409318143	TWFZKHPUNWSDIH-KMUKQRDJSA-N	729.409	7.773	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409318280	YAQSZDAJXDCQJV-WOJBJXKFSA-N	603.311	5.809	50	40	KKGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)=C2C#N)cc1	409324227	RPNFJAIDXUQNDA-INIZCTEOSA-N	509.937	5.468	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)ccc1OCc1ccccc1	409325975	DWSZICLYDVDCNN-CAQPMQTCSA-N	588.458	5.818	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)c2ccccc2F)cc1I	409371358	HWDRWHKFMGPLEH-JYRVWZFOSA-N	529.090	5.111	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3cccc(C(F)(F)F)c3)[C@@H](OC(=O)c3cccc(C(F)(F)F)c3)C(=O)O)cc2)cc(OC)c1OC	409382615	VHFKTFAPXOZHMW-URLMMPGGSA-N	821.636	5.299	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409394420	AFCZCVOHSLJXRU-UHFFFAOYSA-N	675.288	8.906	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)cc1OCC	409394724	FDAUFMQEHVEKHM-UHFFFAOYSA-N	695.397	8.685	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc(Br)cc1	409396407	YDDHJRMNQRQGGW-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409404209	PIWSJIVQMBWZKD-LCYCTPALSA-N	642.934	6.776	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(CC(=O)N4CCOCC4)c4ccccc34)o2)cc1	409404379	QBSFNFMYXOEDTC-OJYCWLPVSA-N	593.684	5.152	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1cccc2ccccc12	1529548663	KZZUDIRFDMMXJE-VZNCFUDISA-N	692.838	6.431	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c(OC)c1	1900129	MHKBXOQJEVPLNO-LGJNPRDNSA-N	540.692	5.252	50	40	KKGB	
CCCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3OC)c3ccccc3n2)c1	2089585	SIUICTPPCVTFLT-ZCTHSVRISA-N	513.594	5.870	50	40	KKGB	
CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3cc(CN(C)C)cc(N(CC)CCCl)c3)cc2)c1	5741853	NKTQBLYATRQUBI-UHFFFAOYSA-N	641.688	6.445	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)c3cccs3)NC(C)=C2C(=O)Nc2ccccc2C)cc1	6444263	HVWREOPAUMCLNV-SANMLTNESA-N	515.660	6.016	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1OC	8653839	HBVNRPBZZGZIHY-HSZRJFAPSA-N	530.631	5.108	50	40	KKGB	
COc1cccc2cc(C(=O)N/N=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)oc12	9264414	QANUHNMTGIBMDR-IPPBACCNSA-N	500.942	5.452	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1	28217708	GBXGQOYICJXGPO-LGJNPRDNSA-N	519.848	5.933	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1I	97961932	BMSKHFITZLWHPR-STBIYBPSSA-N	570.427	5.971	50	40	KKGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	97964876	CWBGGQMITNMPIU-JRXWSOMVSA-N	538.671	6.396	50	40	KKGB	
CCCCc1ccc(NC(=O)C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1	98001467	SNBHLCCETPFLEC-UNXSZMBBSA-N	675.583	6.083	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100125920	PQBUBJUVOBEUPU-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(OCC)cc2)cc1	100184254	WUQXGZJSQWNRAT-UXHLAJHPSA-N	550.084	6.018	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(C)cc2)cc1	100380113	RUAHQCSBMOTODK-VTNSRFBWSA-N	615.608	6.777	50	40	KKGB	
CC1=C(C#N)c2nc3ccccc3n2[C@@H](O)/C1=C\Nc1cccc(N/C=C2/C(C)=C(C#N)c3nc4ccccc4n3[C@H]2O)c1	100927383	QKPXRAGTEDXSSD-PFVIKOSXSA-N	578.636	5.981	50	40	KKGB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC	101006903	HWFUQPRGPLEZAT-RRAHZORUSA-N	619.765	5.506	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)c1	102496067	DDDNIIPQKOUHAH-SSEXGKCCSA-N	551.668	6.915	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	102515458	UNHUVDDGFGGJLG-YKQZZPSBSA-N	556.531	5.890	50	40	KKGB	
COc1ccccc1N/C(SCC(=O)NC1CCCCCCC1)=C(/C#N)C(=O)NCc1ccccc1	102718944	KFYALJPHTOYCDX-WEMUOSSPSA-N	506.672	5.121	50	40	KKGB	
CCCCC[C@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)CCCCCCCC(=O)c1ccc2ccccc2c1O	150365595	OMRVMXGALBOWHY-QUMGSSFMSA-N	726.226	10.483	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	162475950	IXHVMDMEUMKZFW-KULFSUQXSA-N	719.485	7.614	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1)S(=O)(=O)c1ccccc1	163744460	SNJOYUGTOADNLR-UHFFFAOYSA-N	637.943	5.893	50	40	KKGB	
CCCCOB(OCCCC)[C@@H](Cl)C[C@H](CC(Cl)(Cl)Cl)B(OCCCC)OCCCC	195753584	NMAUTCHFJDKODI-UXHICEINSA-N	521.999	7.897	50	40	KKGB	
O=C(N[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1	196753876	BEKZNCOFLFMFHP-IUIQNIBZSA-N	812.890	8.391	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	229851116	WBPSLDSHGDXHBE-IGCYBFCNSA-N	525.970	6.240	50	40	KKGB	
CSC(=S)O[C@@H]1C[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@H]1CO[Si](C)(C)C(C)(C)C	263601057	KRWSBTMVAZGCMH-QYZOEREBSA-N	559.790	5.421	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(Br)c2)cc1	408539380	WFEAUMOTOMWVKH-OYKKKHCWSA-N	678.377	7.932	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2OCC)ccc1OCc1ccccc1	408539863	ZNXHUDOKYFCDMH-KWQVAVEISA-N	656.204	8.491	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCC(=O)Nc1ccccc1	408541989	IRMHROSSQZUAQX-ODLFYWEKSA-N	507.340	5.238	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2O)c(C#N)c1C	408547510	YRKZHXPIRUEXBF-UUILKARUSA-N	538.217	5.054	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408551747	FUAGQROZBJJESP-NKHVPTTDSA-N	695.426	8.404	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	408579059	CUTGOYUMQXGVNP-MHWRWJLKSA-N	539.234	6.596	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408724713	DRLRBXQXGVDCHP-UNOMPAQXSA-N	633.280	6.586	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408752617	IUEMGKSWNQKJED-KGENOOAVSA-N	624.456	6.075	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408762832	GMGMSHXHTPELRR-VTNSRFBWSA-N	679.505	5.142	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)cc(C(C)(C)C)c1O	408766473	RDQMDFBEULYRCE-FADJLKOXSA-N	586.754	6.991	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2cccc(Br)c2)cc1	408784011	RKMYNOOHUNIWFI-LGJNPRDNSA-N	555.281	5.410	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1	408794747	SSLZWUVTRQBIRS-GIJQJNRQSA-N	520.243	7.987	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)c(C)c1	408795305	UZPHKUVMPHMVBX-VXLYETTFSA-N	666.151	7.558	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2I)cc1	408795669	MSYQNHPXZFFWDY-GIJQJNRQSA-N	654.673	6.982	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	408795749	WCOFBSLHBJBTLS-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408805968	DENMSTSTGZRPJQ-UEGQJUKWSA-N	676.336	7.230	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2ccc(Br)cc2)c1	408809254	GRQHUGIYMHYCBY-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408835852	YONVPBHIJQLSCV-RDRPBHBLSA-N	589.091	8.514	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4OC(=O)/C=C/c4ccccc4)cc3)sc2c1	408838294	DGEWIWNQEGBCKT-MGBLKWGHSA-N	594.092	7.498	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccco2)cc1	408838698	HFXSGOPPSPZTIB-STBIYBPSSA-N	546.377	5.206	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408839331	QTVIQXITSUBMLG-UNEKXOAESA-N	534.528	5.230	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC#N	408843014	LEEHNPMRUGYWED-WCMJOSRZSA-N	590.503	6.690	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408849607	XCKCEDOASUDQLB-OCKHKDLRSA-N	648.182	7.845	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc2ccccc2c1	408853422	SBBBNNXKIAQDSE-LJUMEUDFSA-N	590.417	6.932	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408854874	KHHXKRBCCBLYJO-MNBJERMJSA-N	546.852	6.645	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c(C)c1	408860864	GVIGEXDXRNARPH-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408868572	OXODXMRSJNEHDO-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Br)cc1	408872987	QHTNJMDZVAGVMP-MIAWKINXSA-N	564.318	6.466	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(C)c(C)c2)cc1	408884884	VWLAEDCWQOAMLV-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408890959	JACITZZSNLHGRG-WPWMEQJKSA-N	523.032	7.661	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccccc1Cl	408949148	QOBMDUYAJKFILH-WJOKGBTCSA-N	663.196	5.541	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(C)cc1	408984116	PSIHWZARZAFEPM-JAIQZWGSSA-N	525.830	6.853	50	40	KKGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1I	408986098	ZNZCEJPFVYBFEF-SDQBBNPISA-N	531.575	5.570	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1	409004890	YFLIYMANPPSLSQ-GRVCRRDESA-N	503.558	5.630	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)Cc2ccc(Cl)cc2)cc1	409006093	LWCUQTIJMIELLR-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC	409024424	SIAUQYUVQRCAFL-FOKLQQMPSA-N	510.715	5.028	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NCCc1ccccc1	409026049	DTQKQDAHMSIJAA-JEPNHJGPSA-N	639.561	5.077	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1	409028529	OOUOUFWUXYUMOQ-NJZRLIGZSA-N	527.646	5.174	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2F)ccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409030626	GWSKSUXZPKLYIV-QLQYKETESA-N	525.583	7.537	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409035656	JYOSHNIJEWLNQU-KCSSXMTESA-N	539.060	7.550	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409128487	PASSPRLRFPERQZ-ALQBTCKLSA-N	634.755	5.091	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2ccc3c(c2)COC3)cc1	409130690	UEBBFUMFEZAZLQ-UHFFFAOYSA-N	574.225	5.234	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1cc([N+](=O)[O-])ccc1O	409145561	ONDIFLJRFCIWIM-RZJRQHPPSA-N	608.610	5.420	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)cc2c1	409186499	CXCCZEBZOCNOKV-MNDYBZJGSA-N	627.435	5.535	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(O[C@@H](C)CC)c(OCC)c3)cc2c1	409187986	WENFMROLGMKFSQ-OPAMSOAESA-N	503.393	5.934	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)cc2c1	409188370	YQIFABFXZZVBOZ-NUJZUDFISA-N	557.828	6.599	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(C)cc1	409216556	MELVNGFPBFKEPW-CCVNUDIWSA-N	547.902	6.631	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)c1	409223620	GMXISOAACXRQID-WNYFKVBNSA-N	643.450	6.001	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccccc1Cl	409237130	JHUMDNLHGSIRQB-WCEBZYJUSA-N	572.830	6.317	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)c1C	409249968	KLVLCSSSCOQPTK-NVMNQCDNSA-N	628.277	6.300	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409256898	NZOVTHCVJPDAJT-YVLHZVERSA-N	544.822	6.609	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)cc1OC	409309359	FZRWSTFIXIVYAM-WKIKZPBSSA-N	591.256	5.010	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1OCc1ccccc1	409318956	ZBQSVMAPMGIMJP-MJXLXAJKSA-N	599.898	7.586	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	409319972	AEZJKPIPPFPARM-UHBFCERESA-N	504.970	5.862	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OC	409322481	XQUBBJQDLQFTCE-YNFMAFFXSA-N	653.755	6.362	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(Br)cc1	409368659	GTTABWIUYQRNRY-YPXUMCKCSA-N	729.965	7.308	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)[nH]c2c1	409372150	CSOZKKVOICVVCR-MFOYZWKCSA-N	662.225	6.632	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2I)c1	409386646	QXBVPVNDICXALZ-KKMKTNMSSA-N	697.292	6.670	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(I)c3)[nH]c2c1	409390385	CUAHNSFSLCDBMU-PXNMLYILSA-N	576.221	7.126	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1cccc(F)c1	409394056	UZWUXGDCDFZXOS-IUXPMGMMSA-N	707.062	7.283	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397684	MSISKHADPSIKLS-UHFFFAOYSA-N	575.621	6.508	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cccc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409398900	WHKMYNVUJSSLCQ-UHFFFAOYSA-N	626.109	7.586	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Cl)cc3Cl)o2)cc1	409406038	VULDOTPDBXIIND-HTVDVWKISA-N	712.384	8.587	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)c4ccc(COc5ccc(-n6c(C)ccc6C)cc5)o4)c3C)sc3c2CCCC3)cc1	409407681	GPSWNAPZDREUED-PMHDSTOGSA-N	699.877	8.939	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Br)cc1	1529545731	BAPCVQFYLXOBPN-RSIBHDLFSA-N	707.647	5.650	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1	1529548922	QGBDRCDDVPSNDG-AYSITGFNSA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	1529549210	VJZQACLUZYBMSY-VOSMKULASA-N	783.472	6.071	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Br)s3)nnc2-c2ccccc2)cc1	2230458	FQPDSCSVUQRRGP-ZMOGYAJESA-N	528.457	5.009	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OC)nnc2-c2ccc(Cl)cc2)cc1	2325137	DAWCCSYNOHIIQJ-LQKURTRISA-N	522.030	5.237	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(O)c(OCC)c3)cc2)sc2c1CC[C@H](C)C2	6167161	CEEYRMVWQNDSRD-XYIUREKKSA-N	593.702	5.324	50	40	KKGB	
N#C/C(=C/c1ccccc1OCOc1ccccc1/C=C(\C#N)c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1	8450400	YXAPUROJTUJDET-KGOJTIBSSA-N	534.579	6.983	50	40	KKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(NC(=O)c4ccco4)cc3)c3ccccc3n2)cc1	8454669	GTKSJEHTBURHEL-QXUDOOCXSA-N	518.573	6.300	50	40	KKGB	
C/C(=N\NC(=O)CSc1cc(C)c(Br)cc1C)c1ccc2c(c1)Nc1ccccc1S2	12496786	JAOWLZHNJXETLQ-JVWAILMASA-N	512.498	6.907	50	40	KKGB	
CCOC(=O)C1=C(C)NC(SCC(=O)N2CCCc3ccccc32)=C(C#N)[C@H]1c1ccccc1Cl	20131712	KHZWLFBKYHKNKY-RUZDIDTESA-N	508.043	5.312	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc(C)c1	59333223	CVJWEFQCZBAXIT-UQQQWYQISA-N	516.041	5.882	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Cl)c1	59336194	XXPKANSBSQDUIF-MFOYZWKCSA-N	506.216	7.733	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1	59856691	ZZYCHJQHFWPILR-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccc(Cl)cc2)cc1	59858392	UYUVUSOKSHZTNE-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	97960640	QOTKRGZGCFSOJT-OEAKJJBVSA-N	684.315	7.736	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1N=P(c1cccc2ccccc12)(c1cccc2ccccc12)N1CCOCC1	97983136	LZQPWABKCNTYDM-UHFFFAOYSA-N	537.556	6.641	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048773	IMDOSJUPPKVREN-HHHXNRCGSA-N	594.615	6.126	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(F)cc2)cc1	100126359	FDSVCQSLDRMSCV-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	100189701	PWKCPTQCNCDBJK-KBVAKVRCSA-N	567.033	5.551	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1	100195508	SCVSBBGHAPDZJM-OCKHKDLRSA-N	501.359	6.176	50	40	KKGB	
O=C(N/N=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cc2cc(Br)ccc2o1	100224698	UDYQDUNHKCXSFR-WKIKZPBSSA-N	517.339	5.870	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1	100990591	POECEEMGRFZGDO-HVBJHMBASA-N	587.326	6.499	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1	100990771	OWPOGTADXYYOTO-GHIWRQRASA-N	577.287	6.092	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@H]3C)NC3=C2C(=O)CC(C)(C)C3)cc1	101081368	ISDNDQHJZWKZGI-CLYVBNDRSA-N	513.663	5.471	50	40	KKGB	
O=[N+]([O-])c1ccc(-c2cc3c(c([P+](c4ccccc4)(c4ccccc4)c4ccccc4)c2O)[n+]([O-])c2ccccc2[n+]3[O-])cc1	101239259	ZAMIJLGRXIGHHE-UHFFFAOYSA-O	610.586	5.160	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	102807701	CSVLFMCVOXRALQ-PMERELPUSA-N	546.652	6.712	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	102808435	ZYDDOWRHKGZLIC-SANMLTNESA-N	549.483	6.700	50	40	KKGB	
CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C(F)(F)F)C3=C(O)CCCC3=N2)c1	102874989	XBPOOKZEUNKHKQ-XMMPIXPASA-N	525.552	6.549	50	40	KKGB	
C=C/C(OC)=C(\C=C/CCN1C(=O)/C(=N\NC(=O)COc2cccc3ccccc23)c2ccccc21)OCC	105017458	QKNTVMFXHWYKIN-MOUFYWLBSA-N	525.605	5.113	50	40	KKGB	
C[C@]12CC[C@H](OC(=O)N(CCCl)CCCl)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OP(=O)(O)O)CC[C@@H]12	118928892	AZSRKOWMDNSWGA-NDMIVGHGSA-N	540.465	5.792	50	40	KKGB	
FC(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342194	BKOPYBRKGBWACL-UWTATZPHSA-N	692.016	8.387	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1ccc(Br)cc1	150351956	UDFRJRSAFMALDS-VTNSRFBWSA-N	641.519	5.113	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	150477160	KBVKZZVPTOEDLZ-AABVJFSESA-N	756.300	7.452	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795371	AHNRFAHKCHDMPD-RYUDHWBXSA-N	758.154	10.160	50	40	KKGB	
CCCCCCCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408537199	CRPZZXNTRWMGDW-QXUDOOCXSA-N	640.047	9.473	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539278	VBTFRMIZRWBPFB-PMHDSTOGSA-N	763.714	9.645	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)ccc1OCc1ccccc1	408539475	HXYNSPMEYVMFHT-QFEZKATASA-N	647.953	8.213	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)ccc1OCc1ccccc1	408539712	YEFWFMCSEPHCEP-DICXZTSXSA-N	690.432	8.931	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3C(F)(F)F)cc2Cl)ccc1OCc1ccccc1	408539924	KOPPNZHKUOFBAB-ADJDCTSUSA-N	617.451	8.333	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2Br)cc1	408568958	LOTOHXOVQVQLBK-RWPZCVJISA-N	557.535	6.344	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1nc2ccc(F)cc2[nH]1	408570149	SAGUXVXDBUYMND-CHHVJCJISA-N	517.185	7.414	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)cc1	408601234	ANUFABNBZGCFNM-OAQYLSRUSA-N	508.018	5.431	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccco2)cc1	408648290	JYDKTKUKMRUWQW-LIPVWZTLSA-N	739.200	5.824	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408654530	QTCXTYCVGIUVJQ-QVWZKCLOSA-N	551.829	5.401	50	40	KKGB	
O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1CC(=O)N(c1ccccc1)c1ccc2ccccc2c1	408669370	GRBUWNSELMFTJL-BJESRGMDSA-N	570.281	5.427	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2cccc3ccccc23)cc1-c1ccc(-c2ccccc2)cc1	408725486	QBSCAVSXKMHUMF-QCFMCPCVSA-N	506.609	7.432	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)ccc1OCc1ccccc1	408736341	AUWPBCGMEHXXGR-HDQUPXCUSA-N	576.653	5.743	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1	408745533	NMJLWLVGBGEMSR-MFOYZWKCSA-N	560.217	6.484	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCC	408758686	PFATVCNMQVTCME-OCSSWDANSA-N	547.534	6.630	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Br)cc1	408765482	PZMPUWMVUMXXQK-CPNJWEJPSA-N	511.397	5.379	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccccc1Cl	408771415	GTENXLNFGFVEKC-WQRHYEAKSA-N	576.793	6.607	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408787517	BDFJQPFXLYXARX-RGVLZGJSSA-N	654.258	7.240	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408788692	MARSEILNGCAQML-VXLYETTFSA-N	521.913	5.470	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1	408791561	YSFPQUYXWSQDKV-PCLIKHOPSA-N	511.419	7.289	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2I)cc1	408794448	JCIMVFLQHFJIAF-LPYMAVHISA-N	522.386	6.341	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCc1ccc(Cl)cc1	408794890	KKUXDXPXGKJOHM-HYARGMPZSA-N	507.417	7.245	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2I)c1	408794908	KJVNCKSIVNDEPU-SRZZPIQSSA-N	601.282	7.104	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br	408797844	SUWWXLZHGMSOON-AWNIVKPZSA-N	542.611	5.353	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccccc1C#N	408804914	CGKGUUCQGIYPAT-VXLYETTFSA-N	506.331	5.593	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(F)cc1	408806578	BIVSOHCRPKGKHM-LRIZEKIPSA-N	573.668	7.672	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408811229	ACFCEKKPFNHNHY-QFEZKATASA-N	512.993	6.313	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)cc2)c1C	408819213	YPAZYACMWHCFRJ-LDADJPATSA-N	515.782	6.206	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408826720	KOXMQWMQQINLQN-VFCFBJKWSA-N	545.038	8.197	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408827523	KGPBMVMCFCGKAA-PTEHHBOZSA-N	746.294	7.996	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408829166	KVYKOTRWKHOYGM-WVKHYPTHSA-N	781.309	6.004	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)cc1	408836537	SGIREZZHLFLEDN-JOXMEQDKSA-N	818.599	7.390	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	408837506	HJKSUQAGIZAGOV-GUBAARJWSA-N	640.161	7.087	50	40	KKGB	
N#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408837974	BBAZMHPJPFQVCH-IPPBACCNSA-N	566.868	6.636	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838799	INVUEIPQWBDMRV-PTEHHBOZSA-N	808.842	8.898	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2ccc(I)cc2)o1	408843433	MQQQMFLBSXHNCI-KVSWJAHQSA-N	596.372	6.463	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408849665	XNNPDCWFSRCPEF-JQAMDZJQSA-N	582.809	6.019	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc2c(c1)OCO2	408859556	VCPQBGKCJFACBW-NUJZUDFISA-N	533.378	5.995	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	408862287	GOMXLZKFQYCDRX-FMFFXOCNSA-N	652.567	5.781	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1Cc1cc(C)cc(C)c1	408865963	FMVNESFAQXXWMJ-ZMOGYAJESA-N	564.467	7.060	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCc1ccc(Cl)cc1	408877002	RYFAECUFLFILLO-KIUFUGSVSA-N	566.867	6.199	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccccc1	408888621	XYCXIFGXCVJTPD-DEDYPNTBSA-N	570.281	7.043	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408889854	JYXNWKYIXVHZNY-GZTJUZNOSA-N	606.292	5.842	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408896828	TZDRVQBFOFTCPS-GZTJUZNOSA-N	591.097	7.099	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc(I)c1OCc1ccc(Br)cc1	408905781	DTZMRWZSQGWJBF-KBVAKVRCSA-N	665.366	6.821	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408921807	CCLPJWFEEKVQDG-VCHYOVAHSA-N	618.893	5.691	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	408950262	RVMVZUKIYWQKJO-MUUNZHRXSA-N	661.995	6.111	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	408961769	DVWIOCHNLHJTMB-VROXFSQNSA-N	506.116	5.559	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408969019	FXHBSYHAOFRMDA-DCUKZYAVSA-N	665.412	6.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCCOCCOc1cccc(C)c1	408970462	IMCMAODOIDZVMK-JJIBRWJFSA-N	535.040	6.376	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1	408970749	DCLYHJLHVKWIBO-HIXSDJFHSA-N	529.593	6.557	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCCOc1ccc(C)cc1	408970985	FJWURKOQNAWJNG-HZHRSRAPSA-N	535.438	5.837	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	408974096	XEHZVCURHXUUEQ-XKSUYGRUSA-N	713.456	7.297	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c2ccccc12	408976608	BDTLXJCQFYDKQR-LQYQJCSBSA-N	515.635	5.107	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1)c1ccccc1	408982853	ZMPUHIDNFQOISG-TYBAKLTESA-N	517.626	5.527	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2F)c(I)c1	408983078	KEUYAGWVZPOWNO-MFOYZWKCSA-N	672.663	7.121	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)OCc4ccccc4)o3)sc2c1	408994280	YXNCXEUSLGQJDQ-DQTSHQJUSA-N	590.687	5.150	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(Br)c1OCc1ccc(Br)cc1	408998622	MVQABNMZVLOULR-MLCSCPQYSA-N	705.444	6.750	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409013304	MURXUFRHLMIMOM-HNSNBQBZSA-N	636.568	5.686	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cc2cc(Br)cc(I)c2o1	409013970	OFJHTDVYORXQSY-KNBZMSCYSA-N	667.128	7.874	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1cccc(C)c1	409017534	XEDSWDPCHRDDJL-XKJRVUDJSA-N	745.149	7.064	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1)c1nc2ccccc2[nH]1	409044436	CEEVXRZZPIRQCQ-LZYBPNLTSA-N	543.646	7.384	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)Cc2ccc(Cl)cc2Cl)cc1	409051496	ANOAINIQHQYEQF-KVSWJAHQSA-N	542.847	5.436	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)Cc2cccc(Cl)c2)cc1	409056193	GQWDYYJMPXDPAK-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(C)cc1	409067582	FOSOQBDXHFNYTM-OEAKJJBVSA-N	506.524	6.876	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409072957	OCAKCVULZVUCPQ-KOEQRZSOSA-N	516.619	5.113	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409169486	QAKFTFPIUFBUKR-XKJRVUDJSA-N	655.276	5.021	50	40	KKGB	
CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)COc3ccc4c(c3)CCCC4)C(C)C)o2)c1	409172879	GIKBCVSYLXHZEQ-MITKABQWSA-N	559.663	5.061	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc(F)cc1	409190242	QLMZEVYUXDQWNW-WQRHYEAKSA-N	534.369	5.374	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C#N	409216952	MPAHYRXSDGDNAW-XODNFHPESA-N	500.407	5.695	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC	409224125	KRRVVWLCYDPBSW-UHFFFAOYSA-N	711.363	6.473	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409225699	NVAYILLBBBXLFT-ZVFXIFGKSA-N	578.581	5.547	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1	409251808	BSQRUCPSGIEKNE-MTJSOVHGSA-N	639.446	5.266	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(C)c1	409252997	AJAADSPCXKRBRN-XDHOZWIPSA-N	520.383	5.335	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OCC)c2)ccc1OCc1ccccc1	409326536	LRDJNOFEOCJUAC-FDVSRXAVSA-N	571.424	5.053	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1OC	409330836	BPRMCJOTPJKOPB-ZMFRSBBQSA-N	503.780	5.463	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(I)c1OCc1ccc(Br)cc1	409366270	ZNJJDXYNNZFAPR-MWLSYYOVSA-N	621.313	6.287	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1OC	409368085	NBHYNTCVTILOJO-NUJZUDFISA-N	629.360	5.504	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc3ccccc23)Cc2ccc(Cl)cc2)c(C)c1	409372156	LRGRIDKECGFNTP-LJUMEUDFSA-N	534.081	5.760	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409377132	DYJQSPCEDIHOMA-HMAPJEAMSA-N	532.427	7.231	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2Br)cc1	409384699	FGRXYHBZSUJBGK-RPPGKUMJSA-N	554.378	5.613	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(C)cc2c1-c1ccccc1Cl	409397722	NEZHZCLQMTXSPE-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397985	PXYKWDKDRKSZMV-UHFFFAOYSA-N	566.545	6.264	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	409406545	XBSGDODOWCYBHW-HXUWFJFHSA-N	624.488	5.741	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1	1529549056	SGZQAHRWKAFFEU-LNZKYNOCSA-N	657.576	5.466	50	40	KKGB	
CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)c1	1238813	AIGLPTSFEHXFOV-HKBQPEDESA-N	563.679	7.109	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@H](c3ccccc3F)Nc3ccc4ccccc4c3[C@@H]2[C@H]1Cl	8426386	FCEVFWRDUFKIQW-PLZIFUOTSA-N	505.014	7.926	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1ccc(Cl)c(Cl)c1	9375170	IMDSQVDMOMWWSS-FDVSRXAVSA-N	513.812	6.770	50	40	KKGB	
CCOC(=O)C1=C(C)NC(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@@H]1c1cccs1	19597244	XCZHSMOOSXIBNN-XHAKIJHHSA-N	525.740	5.461	50	40	KKGB	
N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@H]([n+]2cccc3ccccc32)[C@H]1c1ccc(Br)cc1	19805032	UFTOXBOVKHWELB-ZWEKWIFMSA-O	515.456	5.328	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1cccc(Br)c1	20240643	HCNNNTFBZPXEDD-MWAVMZGNSA-N	504.472	6.058	50	40	KKGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccccc2Cl)cc1	20348310	ZIIZAEZJFWXKBV-DEOSSOPVSA-N	502.039	6.134	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](NC(=O)Cc2cccs2)C(C)C)cc(OCC)c1OCc1ccccc1Cl	35999821	WIIJPZOOUQEEJQ-SXLHCEKXSA-N	568.139	5.941	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccccc1	97950398	KBBCTMTYAMQWPJ-HHHXNRCGSA-N	545.064	6.055	50	40	KKGB	
COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccccc1OCc1c(Cl)cccc1Cl	97965802	QNGCMXXTGHPWHE-GZTJUZNOSA-N	529.445	7.090	50	40	KKGB	
O=[N+]([O-])c1ccccc1/N=N/c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	97983182	LHAJKCIBDPPDKN-QNEJGDQOSA-N	502.514	7.819	50	40	KKGB	
Cc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C/c3cc(Br)cc([N+](=O)[O-])c3O)n2-c2ccccc2)cc1	98045828	LKEXNMVIKDYWSF-WODFAGORSA-N	610.494	5.195	50	40	KKGB	
CC(C)(C)C#Cc1cc(CI)c(C#CC(C)(C)C)cc1CI	98048378	WZOIZLRTKQIGPE-UHFFFAOYSA-N	518.220	6.352	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3sc4c(c3C#N)CCCC4)=C(C#N)[C@@H]2c2ccccc2)cc1	98048586	KUTKGVVBZSPCAD-PMERELPUSA-N	637.787	6.382	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccccc3I)cc2[C@@H]1c1cccc(Cl)c1	100035374	PTTVPDUBIHCISW-IHUOHLDMSA-N	527.749	5.619	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343633	XFANHWIEXRQYCR-FDAWAROLSA-N	609.546	5.519	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1)c1cccc(Cl)c1Cl	100379269	RMMNUJIIONYLMK-MUFRIFMGSA-N	526.445	5.877	50	40	KKGB	
COc1cccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1	100836905	GXUGNQGNMCZPEK-NTFVMDSBSA-N	526.449	5.882	50	40	KKGB	
N#C/C(=C/Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	100946314	LPACIAVQADDGPT-XFXZXTDPSA-N	513.304	5.703	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(Br)cc1	101508519	FXMSBIVRYXNBAP-OGLMXYFKSA-N	554.901	6.291	50	40	KKGB	
CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)C[C@H](c2ccc(OCCCC)cc2)[C@H]2C(=O)OC(=O)[C@H]32)cc1	102804702	JYGVBDUPDUESNF-ZRVBXKENSA-N	516.634	6.291	50	40	KKGB	biogenic
O=C(N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1cccc(Br)c1	103754349	NJTGEVIGRGTYAL-FMFFXOCNSA-N	608.521	7.282	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)c(C(=O)OCC)c1C	109324010	QPVAGYJDQWELTC-FYJGNVAPSA-N	596.499	6.470	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)c(C(=O)OCC)c1C	150612854	CNYCWSJVXBIQTM-SSDVNMTOSA-N	698.535	6.193	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795254	NJOKJQXODICYMG-WHFBIAKZSA-N	659.965	7.430	50	40	KKGB	
CCCCC[C@H](/C=C\[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](N(C)C)[C@]1(C/C=C/CCCC#N)S(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C	263594123	CAXWFSZJMZNJRT-PDSJJYFSSA-N	731.249	10.707	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(I)cc1	408528492	HTNZRGBPJQKOEZ-KVSWJAHQSA-N	540.327	5.280	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408533895	TYJQRAGHKDTRKU-QFDQHJFZSA-N	619.663	7.025	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1	408539286	VDBBDNKCEUTSEV-PKAZHMFMSA-N	597.509	7.778	50	40	KKGB	
N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1	408541482	CWCMRXNUKXXWFP-QNGOZBTKSA-N	527.374	6.425	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408550636	IOUWSDWLNJMPKO-CFRMEGHHSA-N	574.418	6.843	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)c1ccc(Cl)cc1	408578734	AMUNTZZXMKDXMR-RQZCQDPDSA-N	521.611	7.647	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1OC	408579340	FXNZLNROGSDLIY-RGVLZGJSSA-N	527.358	5.960	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCc1cccc2ccccc12	408587637	GNYWRQWKHQIPGK-OKCVXOCRSA-N	584.841	6.839	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1	408637232	HWWANPZUAWLXNK-GOXGLGGOSA-N	614.113	7.720	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)c1	408641348	KAJWVVWGFKIGEJ-VPBXCIAMSA-N	732.809	5.730	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c1	408710605	QFPXEYSKFQNQIW-KKMKTNMSSA-N	721.127	6.018	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1	408746007	WMUBWUOAMGTFPG-ZDLGFXPLSA-N	607.673	7.140	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c1C	408793121	NMKSQYCJYRGTOO-VXLYETTFSA-N	668.700	7.291	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(I)cc2)c(C)c1	408795774	NBRXAWRDNLNJKK-UDWIEESQSA-N	587.255	6.795	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(I)cc1	408796323	OTGJYIKDIFROLJ-RGVLZGJSSA-N	572.830	6.695	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1C	408796431	PAVXTQNGEWQNKE-UDWIEESQSA-N	553.356	5.941	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCc1c(C)ccc2ccccc12	408822594	BITTUVFRIDYUNT-WSDLNYQXSA-N	591.491	7.996	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1c(C)ccc2ccccc12	408825921	SBRXPAGUVYTNOD-TURZUDJPSA-N	633.542	8.623	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408826341	LHQPXEICQWRZQK-WSDLNYQXSA-N	653.316	8.368	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)c1	408826615	HTFUZMPRHZJJBC-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OC(C)C	408832077	RAUVPNAVXYOJAR-VXLYETTFSA-N	545.850	7.567	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OC	408838914	KAQMIEUXEWATGR-IPPBACCNSA-N	585.911	7.141	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408840784	FVIYEMMYHXCMPW-JAVXJAORSA-N	702.380	8.645	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408841672	GODPGDDOCTXDNF-MHDJOFBISA-N	709.953	8.063	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408843513	LUOJADUJFYJCDL-AABVJFSESA-N	790.852	8.759	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408848093	PLMRGGJMKOTKSL-RYBVODPGSA-N	548.064	5.376	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408849059	YNSXNABDMCJPPS-PNQUVVCRSA-N	725.790	6.890	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)c(Br)cc1OCc1ccccc1Cl	408849193	YGLYVNIJIJFOTQ-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408859568	VFIHAIRQCKFLEC-KPGMTVGESA-N	520.460	7.361	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1cccc2ccccc12	408878907	DQCWRPZRLDYNTG-PCLIKHOPSA-N	602.472	7.530	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408883763	UTKVXBURNXQGSM-HYARGMPZSA-N	531.837	7.689	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccccc1F	408884161	SWSKTFLHPJBIKN-LDADJPATSA-N	528.321	5.564	50	40	KKGB	
Cc1c(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1	408893812	NHEVIUVOZHZCPP-WKULSOCRSA-N	576.893	5.487	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)ccc1Br	408905289	WRNNAVXORFZXNB-ZRGSRPPYSA-N	535.211	6.394	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408953712	MLINOYCFVKQSBM-RJRGJQMYSA-N	520.265	6.067	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cccc(C(F)(F)F)c1	408963323	MZZYOMQKWNLPRH-KVSWJAHQSA-N	603.176	6.415	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cccc(C(F)(F)F)c1	408965270	VDKXJVRZKKNHFQ-VPUKRXIYSA-N	593.170	6.960	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408971445	ONJZFDXIGUVHGD-BIQXANFGSA-N	669.403	6.980	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccccc1	408972823	VXAMDJOXFCYXOZ-MVAKIDQKSA-N	531.653	5.033	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409021807	ZIMHFCBNXHFOGB-CNCDYAKUSA-N	557.861	7.863	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccccc1F	409031579	HGDCUEKGTQECHZ-ALQBTCKLSA-N	566.658	7.434	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1	409047704	QBHKCUYTJDCWBT-CXUHLZMHSA-N	575.188	6.384	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409049362	QNLGYHNGWQIMJQ-ZCTHSVRISA-N	504.615	6.897	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(N)=O	409081628	HDMFHEAAGWJXCK-PXNMLYILSA-N	580.163	5.020	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409085173	YWCHRAROGJCMRD-VGOFMYFVSA-N	596.743	7.376	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccc(Cl)cc1	409117445	LWWJWQMGYXDGCP-KCSSXMTESA-N	583.085	5.631	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C	409168324	MPBAFBOITVLYFE-AABVJFSESA-N	623.548	5.290	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	409179332	QOJZKGNTQZRWDY-RFXCUOOMSA-N	731.388	5.819	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F	409199460	DLUZZMURYQFAGQ-XODNFHPESA-N	507.414	6.353	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2)c1	409221711	AFGHRZMNPBLAFS-RNICHHQFSA-N	613.424	5.992	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1ccc(Cl)cc1	409221919	BQUSHDNKRKKUBO-VSPBFFAOSA-N	576.996	5.215	50	40	KKGB	
COc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)cccc2[N+](=O)[O-])c1	409226630	VJXUWVJZYWNOQY-MNBJERMJSA-N	552.543	5.147	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2I)c1	409231119	HPRTWALGNPOQSG-AIRTYWKNSA-N	648.282	6.568	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409239572	ZCRPFZAWIIWVOU-QREGZJMFSA-N	621.302	7.360	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409241951	SXUFQLNMEHJRTQ-PPDIBHTLSA-N	599.092	6.385	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409254143	CVBMUCDTLVBFGZ-UDWIEESQSA-N	629.882	6.523	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	409262237	GEJPIUUJFPWBME-WWTGGXICSA-N	526.818	5.185	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409263977	IWUGBVJEYPSZHQ-VHFSBPNMSA-N	640.165	7.614	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409265120	NUANEJQKDVTSCC-WQRHYEAKSA-N	554.828	5.983	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2)ccc1OCc1ccccc1	409269847	ABKNMJWKLMXKGK-APTWKGOFSA-N	602.485	6.208	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409312438	KYINKGRHUCXQGG-MZFJOGFUSA-N	595.073	5.858	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1OC	409317378	QBBDNQBHJFLQDN-UHBFCERESA-N	573.871	6.418	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OC	409319948	AAUPNBPJMNNGAX-UHBFCERESA-N	584.467	5.345	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1OC	409324352	SDXCTYBLTVFTPL-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OCC(=O)Nc1ccccc1	409392950	UILUHXNGMLPHOV-WQRHYEAKSA-N	547.409	5.814	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395178	KRMUPZNWDGJGPL-UHFFFAOYSA-N	731.184	8.558	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397070	FVHJPIFOAIHWMP-UHFFFAOYSA-N	718.762	8.391	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Br)cc1	409401938	ISUYDKIQZMKIBO-AEVGBRMKSA-N	689.994	7.772	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc(C#N)cc2)ccc2ccccc12	1529548118	AAHMVVHKDNREJI-JGOCILMOSA-N	633.730	5.175	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1	1529548743	MZXMWQUCFATKJT-RNMNIPMUSA-N	655.148	5.342	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccc(-c2csc(Cc3ccccc3)n2)cc1	1662401	PJCAGBHZYGRRMA-ZCTHSVRISA-N	508.518	7.744	50	40	KKGB	
N#C/C(=C\Nc1ccc(I)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	1769306	HBTMOYKIRMCUGU-JLHYYAGUSA-N	542.314	5.406	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1ccc(C(C)(C)C)cc1	2697683	XBXNOFZVCMYLDZ-AFUMVMLFSA-N	500.466	5.267	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	8427396	OIABQYUSZJMJCM-WMFSDKRHSA-N	575.452	5.752	50	40	KKGB	
O=P(Nc1ccc(Cl)cc1Cl)(Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl	8432928	FRDDXBHXOYRQGG-UHFFFAOYSA-N	530.006	9.351	50	40	KKGB	
CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(CC)cc4)CSC3=C2C#N)cc(Br)c1O	9693576	JVEMQLJNJYAYLV-SFHVURJKSA-N	514.445	5.335	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1F	28217144	CCHDNYBLRWGHJV-AMEZEBJKSA-N	526.637	5.771	50	40	KKGB	
C/C(=N/NC(=O)CSc1cc(C)c(Br)cc1C)c1ccc2c(c1)Nc1ccccc1S2	33581880	JAOWLZHNJXETLQ-YUMHPJSZSA-N	512.498	6.907	50	40	KKGB	
C=CCc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)c(OC)c1	41078068	MZIZQYICSKDVOT-XQNSMLJCSA-N	502.567	5.097	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	58852881	YZDCBDOLYDFXRR-RDRPBHBLSA-N	521.042	5.093	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(Cl)cc3)=C(C)N2)cc1	96933951	CBFMMEVREQRHEJ-SANMLTNESA-N	533.053	6.202	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C(C)C)cc2)N1	96934304	SKHWGUSXPKRQEH-MHZLTWQESA-N	569.712	6.719	50	40	KKGB	
COC(=O)c1c(NC(=S)NNC(=O)[C@H](C)Oc2c(Cl)cccc2Cl)sc(C)c1-c1ccccc1	97945894	KDBBBIABHJMWPZ-LBPRGKRZSA-N	538.478	5.602	50	40	KKGB	
O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1cc(Br)ccc1O	97954110	CSRSIPGPJKYZCF-IEDNCLQISA-N	539.433	6.274	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	97964219	UKVCHOCONBBAOI-MLGUNKCSSA-N	598.453	5.678	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1cccc(Cl)c1	100120139	WTHWFSSCYRWPLM-FADJLKOXSA-N	539.123	6.966	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100124421	YDGVUIFNZDJDTC-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343536	QQNPIGVQSBSRMZ-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
CC(=O)c1ccc(NC(=O)[C@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1	100848679	OSFBWDWTEGNTAL-KKXDTOCCSA-N	522.075	5.514	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	103896646	JSOHWXZSSZJDFQ-YQCHCMBFSA-N	568.699	5.600	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc([N+](=O)[O-])c1	164742002	LUWZLMTVXQHTOR-PXNMLYILSA-N	624.218	6.639	50	40	KKGB	
C[Si](C)(CCCNC(=O)Nc1cccc2ccccc12)O[Si](C)(C)CCCNC(=O)Nc1cccc2ccccc12	195778987	JURILZJXWBXCDM-UHFFFAOYSA-N	586.885	8.143	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408553468	ZHUXTSYAAYHVCY-DICXZTSXSA-N	514.452	8.917	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3c(F)cccc3Cl)CC2=O)cc1	408610825	UOMWAPIUXDAEER-MRXNPFEDSA-N	532.399	5.606	50	40	KKGB	
O=C(COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)NNC(=O)c1ccc(Br)cc1	408643639	BBOSMABLOCJJOT-UHFFFAOYSA-N	573.230	5.589	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408680238	FZMQWKRTVZVEME-ZYGGUILKSA-N	662.118	5.064	50	40	KKGB	
CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3ccccc3)c3ccccc32)cc1	408729817	DKNJCXNFEYEIPD-HCFBOEEHSA-N	541.607	5.052	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408731282	JKNBUBGNKMQDRQ-IPBVOBEMSA-N	696.308	5.005	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)c1	408743815	BVAAUUMFZHKGJM-ODLFYWEKSA-N	680.280	6.428	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408746319	RTDNFPLZRVVWGF-PXNMLYILSA-N	566.666	7.543	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)ccc1I	408748148	ZDUWQGLEBNFBAF-KKMKTNMSSA-N	585.225	5.958	50	40	KKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2C)cc1	408760035	QICWZKNFBIEQMR-JBFMKSPFSA-N	562.717	8.545	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2cccc(C(F)(F)F)c2)cc1	408781599	CEUUTEQNYPWPJT-ALQBTCKLSA-N	595.599	5.579	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	408789096	NYKJUHFXSJJHHF-DEDYPNTBSA-N	539.813	6.404	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408799547	ZUYJWLNOXYHLJD-GIDUJCDVSA-N	526.634	8.078	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc(Br)ccc2o1	408810366	ISZWWMNMNCWEMN-AQLQTECXSA-N	751.156	7.901	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408828326	DPIAYASXSRUJLE-JJIBRWJFSA-N	557.419	7.292	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)cc1	408829714	GBIQFMUWPZMHEQ-IBBHUPRXSA-N	590.916	6.703	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)cc2Cl)c1	408833647	SAKLZRRROLCQMS-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408839159	NYUPDTUYYXGXMV-WCMJOSRZSA-N	577.380	6.137	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408839756	ABIZJONICMQDKK-XJECJHNESA-N	650.708	8.065	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1cccc(F)c1	408840777	FSZHSPKATBQELI-HBHSWBPBSA-N	607.029	7.369	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842902	KKDGFRVNZHVXBE-PTEHHBOZSA-N	642.395	9.510	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3)cs2)cc1	408848384	WAPUZIOJBZRADJ-IBBHUPRXSA-N	547.467	8.193	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(C)(=O)=O)cc1Cl	408859196	MUUKXKPSDLRIBT-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408860477	WMLLYBUXIUMXRF-KVSWJAHQSA-N	552.252	6.181	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2ccc(Br)cc2)cc1	408860694	CCHQVJZZOXDECJ-CCVNUDIWSA-N	554.388	5.122	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408872831	JMXLDBRMFBIJFE-HPNXWYHWSA-N	608.642	6.002	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1Cc1cccc(F)c1	408874352	BLFHMOJVBXLKNH-CIAFOILYSA-N	554.403	6.528	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408878524	AESUFTBWKOBLEO-OCSSWDANSA-N	547.405	5.993	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408879015	DSXIYYNEHDUHBE-UDWIEESQSA-N	555.450	5.696	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2Cl)cc1	408887470	QXBJJDGKFKPRJH-LICLKQGHSA-N	531.373	5.313	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccccc1	408905102	SZLNVYFOUMLMKE-VYYCAZPPSA-N	608.274	6.495	50	40	KKGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	408922605	FLJXTZFLJARPEO-LFIBNONCSA-N	505.279	6.777	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc(Cl)c1Cl	408927195	YOWCYHYLPNTELM-KIBLKLHPSA-N	535.236	5.477	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1	408941476	DRSFJGPCWAMOFK-NDEPHWFRSA-N	627.550	5.457	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccc(I)cc1	408957229	SWAJGAGOAAJDLZ-WTIDAYISSA-N	782.632	5.726	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1F	408981261	ABJBYURPAPAJAD-BKUYFWCQSA-N	539.832	7.403	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cccc(C)c1	408982047	FJLHAHVMLMXPJV-JAIQZWGSSA-N	525.830	6.853	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)cc1Cl	408982341	GOCBROYHWUJTAA-BKUYFWCQSA-N	571.977	7.210	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1	408996546	IRJJLEVTJWGMKV-HUMNLGMNSA-N	602.872	6.738	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1ccc(F)cc1	409017048	VTMLHNBWWLJYKM-DBFSUHOCSA-N	592.792	6.572	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Br)cc1	409038832	BIXIDLIBVZGIRQ-YBFXNURJSA-N	604.320	6.450	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409088636	GQZKTQQWURHBIT-RIYZIHGNSA-N	532.818	6.513	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C2=C1CCCC2=O	409136751	VDBIIAPFOBHNEJ-QFIPXVFZSA-N	533.253	6.065	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl	409138105	ZZGPLSNZNSDCAB-MUFRIFMGSA-N	517.478	6.912	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc(Cl)cc4)(c4ccccc43)[C@@H]2C1=O	409149857	SNHWBNYFWDAYAU-JMHKOAANSA-N	594.498	6.197	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409171993	AJKIXWQXLNLCDP-PNQUVVCRSA-N	673.266	5.242	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21	409179798	TWSOONALUGUXMK-RGMZLYFRSA-N	591.023	5.523	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409184871	OQBUSQVOSLMKHK-MNBJERMJSA-N	543.576	6.210	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409209209	HRLXNLCQXMBCLK-XKJRVUDJSA-N	602.765	7.629	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	409217573	QFVZOAXUJIAHIX-AMVVHIIESA-N	574.327	7.731	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409224137	KUJROCRKSITWSZ-UDWIEESQSA-N	581.410	5.480	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409225140	OVKAWZGAKSSGQJ-UHFFFAOYSA-N	566.795	5.931	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409250626	NGLXUMRHQOJGJT-MUXKCCDJSA-N	544.833	5.591	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1	409262254	GJIHLPQRUWDFBU-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccccc1	409323450	ODYXSSNGZSAXBS-ZMGVVAQMSA-N	714.323	7.562	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1OC	409326922	OTKGDKUQWWSJHA-QDTIIGTASA-N	596.703	6.615	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OCC	409332641	LHHSVVFNFHYRKP-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
CCCOc1cc(Br)c(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	409350150	SWRXOURNTRNAHO-LQNQUEJISA-N	579.520	7.268	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	409358693	FYYFDHDTYRRPKL-UHBFCERESA-N	566.293	6.945	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccccc1	409392963	UMLRMPRCOLDGKZ-DXJNIWACSA-N	576.434	6.161	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)cc1	409395555	PAFGBIREPNLSOG-UHFFFAOYSA-N	507.977	6.780	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409395961	UNXOWBKWXONKMJ-UHFFFAOYSA-N	749.765	9.024	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397468	KEPPJAISFIIHOL-UHFFFAOYSA-N	542.595	6.397	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398075	QFCVHKAWFUSLQW-UHFFFAOYSA-N	640.445	8.542	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc2ccccc12	409400821	FOSBSJRUESCBMA-UHFFFAOYSA-N	634.132	8.424	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409405725	UYGUBYHFJJXVTJ-AEVGBRMKSA-N	828.445	7.565	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccco3)o2)cc1	409410599	YFJCIDGTCTVLGY-FDAWAROLSA-N	523.545	5.842	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccccc2)ccc2ccccc12	1529548900	PIIVBOGSTVIKLU-DGVDXNNESA-N	608.720	5.304	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Br)nnc2-c2ccc(Cl)cc2)cc1	1765661	PVIOGAJVWVZVAK-RWPZCVJISA-N	570.900	5.991	50	40	KKGB	
CC[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	2079857	QYXUEKMUXCAYNU-TVYAFPLLSA-N	545.275	6.131	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Oc3ccc(Cl)cc3)NC3=C2C(=O)CCC3)cc(OC)c1OC	2204341	BWJLWEAEASOXPM-XMMPIXPASA-N	541.025	5.134	50	40	KKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2	2359681	YBDBLNCJYIXFQY-JQIJEIRASA-N	543.472	7.696	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc(OC(=O)c2ccccc2Br)c1	2692174	DCOJVAOTXZYRCZ-RPPGKUMJSA-N	522.182	5.504	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	3275598	YGBSEMWOIZCIOH-CCVNUDIWSA-N	500.352	5.232	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)cc2)sc2c1CC[C@@H](C)C2	6167104	UCCBOHMWGYLALJ-MAULVAIJSA-N	623.728	5.245	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2c(Br)cc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl	8386475	LXIYKHHWOXBTEA-XJECJHNESA-N	689.003	7.872	50	40	KKGB	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	8456310	MLGHWEJDPDPGFS-VFLNYLIXSA-N	601.226	6.297	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1	8721633	ADXICCJAKSWIPP-JJKYIXSRSA-N	505.684	5.613	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3cccc4ccccc34)n[nH]2)cc1OC	9015362	WSZFHHOZTCAZMM-FDAWAROLSA-N	506.562	5.590	50	40	KKGB	
O=C(N/N=C/c1ccccc1Oc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	12958982	SVMMDJQJFHYZBX-WCMJOSRZSA-N	525.819	7.782	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	13080673	CARZUNZJMDYYGO-VWLOTQADSA-N	500.649	5.763	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccccc1	13660028	ZYLZRHIYKRDTOB-MIXAMLLLSA-N	502.665	5.267	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc(Cl)c(Cl)c1	13689188	OQZGCCBHENUCNX-OGLMXYFKSA-N	516.498	6.698	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2cc(Cl)ccc2C)cc1	59647319	ZCGMIKRCSJKPBV-HNSNBQBZSA-N	556.087	6.609	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	59855891	GJNQIAHGSCVGNC-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	59856256	SCCPTSBWBHOSRZ-AWSUPERCSA-N	540.689	5.692	50	40	KKGB	
COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(=O)c1C#N	97962974	LQZSLYKQWZXQAG-INRUPRTJSA-N	748.199	5.587	50	40	KKGB	
O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)OC3=O)c1)c1cc(C(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)OC4=O)c2)cc(N2C(=O)c3ccccc3C2=O)c1	98001502	VTNBBXRXULSNRN-UHFFFAOYSA-N	785.677	7.198	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048745	DDHZYAGGHKOKSR-NDEPHWFRSA-N	554.672	5.724	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100141619	ZRQCCSGSRHRYRS-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1	100258362	OMJDHBFNCZZXFR-RDRPBHBLSA-N	565.493	5.446	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	100397005	RJTADUDAASWZJP-HWLOXFRGSA-N	540.066	8.311	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(-c2ccccc2)cc1	100837063	UEQWLCVFFLKOMO-COEJQBHMSA-N	540.739	7.283	50	40	KKGB	
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc1	100906421	GKSABVKMWJDQQU-PXLXIMEGSA-N	550.434	5.459	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)c1nc2ccccc2[nH]1	102687044	UIUTXODLGRPCIW-JJIBRWJFSA-N	528.015	7.712	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103888231	NHIYKCJAKBSXAZ-GRSHGNNSSA-N	560.275	7.588	50	40	KKGB	
Cc1ccc(/C=C\C(=N/NC(=O)N/N=C(\C=C\c2ccc(C)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1	104305938	YDXSFKJPBVDNEE-CBTLZRDJSA-N	624.918	8.065	50	40	KKGB	
O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1ccc(N(CCCl)CCCl)cc1	104383329	XWAWKBAEIRFXRI-PKAZHMFMSA-N	504.289	5.019	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	112258002	IMJBNSXXAWWKRV-WOJGMQOQSA-N	536.426	6.525	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1	162481709	ACIHOUGHFNVXNB-CCVNUDIWSA-N	639.366	5.024	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408531127	NGIGPBWLWBBDBO-MZJWZYIUSA-N	517.807	5.609	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C(=O)OCC)c1C	408546704	NFQRYVMWHQSMOU-DEDYPNTBSA-N	609.531	7.439	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	408566556	AMNSFRNSQXXBNW-CVKSISIWSA-N	509.609	5.182	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1	408567232	KXLCMVRVAFJWRA-LZYBPNLTSA-N	559.766	6.612	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408567747	GHNVGECORRLYSD-CVKSISIWSA-N	509.609	5.182	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(Cl)c(Cl)c1	408588898	WYSRQXJLXNNKFW-WCSRMQSCSA-N	606.956	9.468	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1cccc2ccccc12	408591519	UORJUZDBKYMSOG-OKCVXOCRSA-N	537.841	6.997	50	40	KKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)c1	408613318	YYSXCWUTJAYYOM-KKMKTNMSSA-N	535.225	5.732	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408689536	YLEAJRCHGVXWKT-BQLFOJHWSA-N	635.567	5.982	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c1	408710575	KPPPIGMXQDEDEK-FJEPWZHXSA-N	692.291	6.409	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCc1ccccc1Cl	408711597	BADRBMHJUSWEFG-UVHMKAGCSA-N	660.677	6.291	50	40	KKGB	
COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3C)n2)cc1	408726096	RZJDFZOFXPVDOJ-QNKGDIEWSA-N	514.585	6.065	50	40	KKGB	
CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccccc5)(c5ccccc54)[C@H]3C2=O)cc1	408729819	DKNJCXNFEYEIPD-ZEFGQEINSA-N	541.607	5.052	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1Cl	408735306	QDEYMIPCOFQSIL-KGENOOAVSA-N	531.837	7.689	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I	408745459	MMQQYSGXBFROLR-GHXNOFRVSA-N	578.575	5.494	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408746636	UNJBUGDDRHPQQV-MTJSOVHGSA-N	507.804	7.925	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408753472	MXLBJEXKCXHOAT-PCLIKHOPSA-N	596.565	8.512	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2cc(C)cc(C)c2)cc1	408771708	BKEBEZSWTMCJLS-UZWMFBFFSA-N	555.656	5.177	50	40	KKGB	
COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408774170	BQQDNODTRRTKDZ-UHFFFAOYSA-N	548.149	6.629	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408779073	QHFGORCDUKOQFC-KQWNVCNZSA-N	638.462	5.433	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408796654	OREZIAKAJFVGPZ-RGVLZGJSSA-N	628.273	6.211	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408799099	XVFMNLNSOVZOMO-UDWIEESQSA-N	599.255	7.876	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Cl)c2)cc1	408817631	WLAWTQKSHWBNSL-HZHRSRAPSA-N	510.977	6.713	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408821106	CNGIRDUKZVYTSB-HZHRSRAPSA-N	652.770	8.569	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408825906	RZROQWCQHPPXSZ-WVKHYPTHSA-N	774.148	7.015	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2cc(C)ccc2C)cc1	408829763	LXULBGVGTCOEMS-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838593	GOZSCWQCHBXXLS-PTEHHBOZSA-N	808.842	8.898	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408839182	OJRLVACTJNLXLY-WCMJOSRZSA-N	666.282	6.355	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccc(Cl)cc4Cl)cc3)sc2c1	408840639	ZQQQQAPUCIFHPT-KVSWJAHQSA-N	516.837	7.186	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Br	408843376	LZTHDULNHWTYBI-HIUVJMHLSA-N	650.271	5.675	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=C2CCCCCCC2)cc1	408864696	YKIAUAWXXPQNAO-UHFFFAOYSA-N	538.113	6.874	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408866792	GSLYDNKBHIJTBV-XODNFHPESA-N	615.333	5.260	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1Cc1cccc(F)c1	408874711	FNYVNKVNQPZEER-RGVLZGJSSA-N	540.376	6.274	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408874951	FRBSDIYKBRHILT-XODNFHPESA-N	615.333	5.260	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3cccc4ccccc34)cc2I)c1	408922517	FOHBKTHHRWIRBC-WKULSOCRSA-N	646.266	6.700	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(I)c1	408945037	KAANJBAZRUTANY-NDEPHWFRSA-N	719.001	5.409	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	408945824	OCIGCXMCXJOLAG-VQNDASPWSA-N	528.612	6.234	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Br)cc1	408947982	OKCSYQBNXDTNGT-YTTGMZPUSA-N	721.674	6.040	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408951631	MCCBAOQUQFSUCN-STZFKDTASA-N	543.421	5.214	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(OC)c1	408957569	VBZTXEFHXLLOKY-FKZKYSLJSA-N	775.407	5.428	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccc(Cl)cc1	408970703	CDQZZYWHOXKXNC-VURDCNJBSA-N	552.071	5.296	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1sc2c(c1C#N)CCCC2	409001526	WKLCMXUFLMTABZ-UVHMKAGCSA-N	505.694	5.758	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1cccc(Cl)c1Cl	409115546	JQTMFSJLWMYSAK-MHDJOFBISA-N	631.513	5.657	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CNc5ccc(I)cc5)(c5ccccc54)[C@@H]3C2=O)cc1	409178040	KFPCMSXCCMITNV-ZLKSVWBFSA-N	666.519	5.365	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1cccc([N+](=O)[O-])c1	409187808	UNLFIDGKJHYRRS-WYMPLXKRSA-N	533.176	5.463	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409220348	XNYLKMWJRDFXHI-BMKMTALHSA-N	750.658	8.807	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1	409223452	ZNJQFLHGBDIWIK-PPDIBHTLSA-N	538.186	5.762	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccccc1	409227040	XCDWHEUXDIKWCH-UHFFFAOYSA-N	507.546	5.239	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1C	409264791	QHFSYPXUCYJDSC-KBYBVTDASA-N	510.421	5.692	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409265827	VYISUBFXNHPHPD-UDWIEESQSA-N	566.427	6.167	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccccc1C	409266396	YKLSGDCDMNESHL-FYJGNVAPSA-N	548.437	6.028	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1OC	409310799	BXZMYWZSOOLVLQ-DICXZTSXSA-N	626.323	5.541	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409362550	HXBHRLNZLUQXQY-SXGWCWSVSA-N	605.791	5.655	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)cc1	409375996	RWUZZRSGBWPNKR-ZMFRSBBQSA-N	561.230	5.002	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409382703	PQPPGNHGQNFUOP-UNOMPAQXSA-N	552.400	5.859	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCc1ccccc1Cl	409393517	XYNZXMBPVUIDSO-IBBHUPRXSA-N	552.856	6.406	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccccc1F	409394111	VVWCFHQOVCSVDM-NVMNQCDNSA-N	503.286	6.221	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)cc1	409395544	OXGDAKSHHLICQG-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409396912	CVSRSMNKHCXEHQ-UHFFFAOYSA-N	649.872	7.085	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409399313	ZJJVTUHWLOJYHB-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409401027	FZYJRAPDSDCUKN-OCUJFKKWSA-N	740.438	8.125	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc2ccccc12	409401546	HMHVZYVVSTWINU-UHFFFAOYSA-N	599.687	7.771	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OC(C)(C)C	409403861	OIXVEMGWVCTTDY-KYHGBAKBSA-N	594.506	6.978	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)/C=C/c3ccccc3)o2)cc1	409410349	VNJVIXPWXHEZJF-FBZNKVPSSA-N	559.622	6.649	50	40	KKGB	
O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	885164187	MZLOFMHUFYYOPU-UHFFFAOYSA-N	666.193	7.824	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(OC)c1	1529546737	HBBSAYLMFIMZAM-WEYKRHLWSA-N	638.746	5.312	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(OCC)c1	1529549382	XKSSGFYDAXCCPH-QKRNDYIXSA-N	687.218	6.356	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1	1787468	SRPIJIFHCGTVOI-JVWAILMASA-N	520.456	5.502	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1COc1ccccc1Cl	2189040	QULDRXLYLWZBTM-MUUNZHRXSA-N	590.905	6.995	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1	2220839	IPUKQWDDESHUND-ZDDKYUFNSA-N	502.039	6.276	50	40	KKGB	
O=C(N/N=C/c1cccc(Br)c1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	2752781	DMKVXXYGIWJTCF-ZMOGYAJESA-N	501.178	5.228	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)CNc2ccccc2C)c1	3116486	GGFALMZLJIMMKQ-XODNFHPESA-N	559.258	5.610	50	40	KKGB	
COc1cc(N(C[C@@H](C)Br)C[C@@H](C)Br)ccc1/N=N\c1ccccc1C(=O)O	4773917	WUBLXGHQQPESHV-DFJQJVTBSA-N	513.230	6.182	50	40	KKGB	
CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1)N2	6089606	KNUBFFHFWORXOG-CIHKHTDDSA-N	543.472	7.464	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccs3)cs2)sc(C(=O)OCCOC)c1C	10232884	AGLBJLSEKCJRPY-KAMYIIQDSA-N	503.627	5.198	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	12250454	GTXVMECHBAPZDZ-MHZLTWQESA-N	512.635	5.911	50	40	KKGB	
C/C(=N/OCC(=O)N/N=C/C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1)c1cccs1	16136682	XGQFPGHIVNVTKU-HKPWBNOASA-N	507.615	6.227	50	40	KKGB	
C/C(=N/NC(=O)COc1cc(C)c(Cl)cc1C(C)C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	16268062	NOUTYMQALYJUAT-HQNOOZPPSA-N	522.989	6.055	50	40	KKGB	
Cc1cccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)c1	20060931	UJINIEMTWGPKTP-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Br)c2)cc1	33353916	VEAFWPDGXRWLHJ-LVBJXMSMSA-N	611.496	5.656	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1cccc(C)c1	59333331	TVULEUZFONQOPX-ANYBSYGZSA-N	521.661	5.957	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	59646993	AZYOSGVEQYCCCB-HPNXWYHWSA-N	628.150	6.817	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccc(C)cc2)cc1Br	59856979	GFBYAJJZOFSQRD-UVHMKAGCSA-N	585.307	5.419	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1	59884750	XBMCBAPERBZBOP-DPNNOFEESA-N	625.534	5.741	50	40	KKGB	
Cc1cccc(/N=N/C(=N\NC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)c1	73294547	HBTHNMAFDAJNEY-QEEVISEHSA-N	528.016	6.172	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(C#N)/C(O)=N/c2ccc(F)cc2)cc1	97971144	JLCXIRLXPSRUMP-CTHAODRQSA-N	526.420	7.155	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)cc1C	100124607	QCAGGADGDPBANI-FABQOPTDSA-N	582.648	6.075	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1	100221100	VRAKDXHUFASFHT-QCFMCPCVSA-N	593.705	6.163	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	100343858	ZJUJUEKYGMHLKG-KBVAKVRCSA-N	610.092	5.318	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc(Br)cc1	100854659	KPOQRLLCKVIFLS-YUMHPJSZSA-N	546.922	6.499	50	40	KKGB	
Cc1ccc(N/C(SCC(=O)c2ccc(Br)cc2)=C(\C#N)c2nc3ccccc3s2)cc1	102927005	FGLOVNJVXNFFHE-GFMRDNFCSA-N	520.477	7.288	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889458	RCJOMDHQZLZAON-NVNXTCNLSA-N	554.630	7.673	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\CCCC/N=C\c1ccc(N(CCCl)CCCl)cc1C	104078457	XUGNPAKVJGUPLR-YWQXDYITSA-N	572.452	7.190	50	40	KKGB	
ClC1=C(Cl)[C@]2(Cl)C[C@]1(Cl)[C@@]1(Cl)[C@H](Cl)C(Cl)(Cl)C(Cl)(Cl)[C@@]12Cl	104202312	ZMRXZSLKCSISDN-FIJBBSBCSA-N	513.117	6.972	50	40	KKGB	
CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341579	PGTZMAVZAHEJCS-JTQLQIEISA-N	686.228	9.940	50	40	KKGB	
CC[C@H](Br)[C@@H](Br)C[C@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)CCCCCCCC(=O)O	150344731	XIVWIZLTAYDHDS-FHULIHMCSA-N	757.860	8.573	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1	150479089	OZHKFNGTHKDXJG-ALQBTCKLSA-N	680.625	6.318	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC	408538534	OKXHZQSOQRFCEU-HMMYKYKNSA-N	515.448	6.751	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(C(=O)O)cc1	408542583	KGPVSCWDHYPGHG-NVMNQCDNSA-N	503.179	7.097	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(Br)cc1	408568732	WMMZKAVPFKMLJY-KBVAKVRCSA-N	602.367	7.180	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1ccc(-c2ccc(Br)cc2)o1	408570583	WYZGGPKIFFOOMR-CFRMEGHHSA-N	503.443	5.717	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	408583359	UAJWPMVPHOKYME-CXUHLZMHSA-N	596.299	7.092	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	408609098	YRZZDWFIHMFXNH-OABJIQBASA-N	565.699	6.737	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408658544	VBHXJAVUNDKEFP-JCKQNYJESA-N	766.226	6.712	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408675534	BEYWHWZTQWHUOJ-XVMGYKCHSA-N	566.677	5.183	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1Cl	408725684	MQMXKFPQPUJNQI-CIAFOILYSA-N	525.830	6.304	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408743050	DGWYZTGAQONABN-WQRHYEAKSA-N	637.699	7.230	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1	408743127	DVRAILDMZNTFIQ-WQRHYEAKSA-N	668.244	6.558	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1	408743170	FAZYNQCDUDZBIW-ODLFYWEKSA-N	511.361	6.215	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408745045	OYPQYNIQDFLFDF-IUXPMGMMSA-N	595.118	7.952	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408745608	UDOWEIXMSHVWRC-ULJHMMPZSA-N	517.025	6.991	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)cc1	408746008	WMVUHJKKXHJSMB-UNOMPAQXSA-N	541.829	6.634	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408748029	XEYKXEQUSOGOEI-OJYCWLPVSA-N	599.912	7.221	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(F)cc1	408757193	VQNCYHRTQZVNPJ-MFOYZWKCSA-N	515.766	6.375	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc(Br)c1	408760644	CGZCBEZCTBVJOP-XKZIYDEJSA-N	562.261	7.489	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCC(=O)OCC	408763621	UAGHTVYRDBSYRJ-UNOMPAQXSA-N	513.388	5.064	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408764167	SEGHCRZRSUTYPU-AMVVHIIESA-N	523.376	5.088	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)C(C)C)cc1	408765593	YVGCKPVNLRJLFZ-IKOBEORISA-N	529.662	5.180	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408773700	SYHKIKMQGHNWCX-WUJAUQLFSA-N	591.513	6.643	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408792467	ADSXAPDZRVWNEX-LZYBPNLTSA-N	581.091	7.643	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408796420	PAFWPFQBVKFLNS-LICLKQGHSA-N	543.292	5.463	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br	408797253	QYAVDGIGUOXZEK-WUXMJOGZSA-N	529.015	6.076	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408800940	SDRMWBYTPGSUFH-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)cc1	408816342	JKDGZNITLPWUPV-JAIQZWGSSA-N	586.280	6.031	50	40	KKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1	408820581	YUQFWTBYHLKIOD-IBTHDSTKSA-N	543.715	7.470	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408823015	CBHTZMDNQULKCN-BUVRLJJBSA-N	652.372	8.858	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCc2ccc(Cl)cc2)c1	408831224	OXPDEZSQQPZJCP-LFVJCYFKSA-N	559.449	7.706	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408835360	YNOHJCUHYAEQQK-YDZHTSKRSA-N	686.817	9.512	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(F)cc1	408840634	ZQAVSXCUZSCLBX-XJECJHNESA-N	645.554	8.115	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2I)c1	408852784	NHFZAHMXWNBYDQ-NVJOKUIPSA-N	715.123	7.056	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Br)cc1	408854732	BWODNFJPBLGQFB-XODNFHPESA-N	641.154	6.481	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(I)cc2)cc1	408855057	CWOQHXRMFCELLW-ZXSNDDASSA-N	611.483	7.400	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408863639	ODQVZBMITJCIRX-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccc(Br)cc2)cc1	408865021	AEPPDEKTIKKASM-JFLMPSFJSA-N	528.472	5.028	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cc(C)ccc2C)cc1	408871789	ZPOSVZYSBDGFFP-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408886833	MNNAEPCMNTXCHV-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1	408890724	YFENEZKGMKONAH-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408903894	AYVITKANTYTPJZ-BCHBDCPOSA-N	652.093	6.971	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(F)cc1	408922118	DHJSYZFTZKWOIN-KVSWJAHQSA-N	540.216	6.637	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1F	408948641	PQUYWUMPUOMSQJ-HHHXNRCGSA-N	828.442	5.499	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408953220	LTVZKPWEINDALK-YPDOVWKOSA-N	701.733	5.030	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408969237	JXTYBDFCPVDUOL-AXMCDVLCSA-N	604.534	6.526	50	40	KKGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(OCC)c1	409004645	AYYBMUFELRRXOJ-QFEZKATASA-N	528.649	6.041	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409012477	IFMNBSXTZNCMEC-JSJQWAPGSA-N	688.652	7.573	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020398	OVOOPHZDYPWIDF-OJYCWLPVSA-N	567.686	6.040	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc(Br)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409021068	XMMVOCHTCKXBGK-WBIBEUCMSA-N	646.582	6.472	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OCC(=O)Nc1ccccc1	409044886	DAYKRLCXTVXBIB-LDADJPATSA-N	565.367	5.913	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	409046596	RSKMEDFTVDYLOS-FHMAFLEASA-N	580.471	5.889	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(I)c1OCc1cccc2ccccc12	409144281	XRJZRGAQCSAGPO-WCMJOSRZSA-N	608.432	5.844	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1	409160427	YLAYIGWQPKZAJF-XAZZYMPDSA-N	583.299	7.147	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1	409173353	PJQLOOXOTICVIV-AMVVHIIESA-N	575.836	5.318	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1	409183624	DZVLQOFRLNVGLU-UNOMPAQXSA-N	526.228	6.645	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(OCC)c3)cc2c1	409187028	LANJMKLZHULSCU-MNDYBZJGSA-N	571.855	6.989	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccccc3)cc2)cc1	409219574	OEBRWILIZUBAJN-YKQZZPSBSA-N	522.517	5.139	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1OCC	409226325	UZKMGRAKYBZDSD-QEEHVEPSSA-N	622.634	6.027	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409226411	VWZWVOLUOSCZFS-QDTIIGTASA-N	518.784	5.978	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)c1	409253624	XLVCOWHSGGECBE-PPDIBHTLSA-N	579.676	5.955	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)cc1Cl	409257058	RHHUMVAPXSLEGH-RQZCQDPDSA-N	514.796	6.518	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409260097	KPZWPJFVENVVIT-RGVLZGJSSA-N	616.434	7.047	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1ccc(Br)cc1	409260484	QVSNKXLYJREFEH-UVHMKAGCSA-N	607.255	5.870	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409261367	AVMWFEXYKXKKKD-KOKCXWAISA-N	654.192	8.004	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409271761	MTRTXMAROPWFDM-YLYVUXRMSA-N	739.479	8.721	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)ccc1OCc1ccccc1	409311086	DIWWAQPXEXAALO-HQDYHJHZSA-N	652.383	7.841	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)ccc1OCc1ccccc1	409319383	FFXBXJQCJSYDGP-KMUKQRDJSA-N	684.958	7.664	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OCC	409324784	VLGIYNSUZUNUCW-MBTHVWNTSA-N	527.961	5.397	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409332043	JIZCBSMFRRQHCL-UHBFCERESA-N	531.436	6.532	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409355760	KWWGQRUQCMUVAB-LUOAPIJWSA-N	580.208	5.400	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395045	JFGFRRFWJGIQDU-UHFFFAOYSA-N	754.184	9.669	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccccc1	409395939	UGDSIGWJJOQLBZ-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396237	HUYDSSGIJQLSES-UHFFFAOYSA-N	645.543	7.598	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409398225	RUMOICZSQJAGLZ-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409402092	JAKZGPQACBVAHA-AQLQTECXSA-N	659.331	6.107	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OC(C)C)o2)cc1	409408834	LVLGFNZECWOPPG-BVMLUPFRSA-N	584.898	7.233	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccc(C)cc1	1531386380	JGWJDNJZHRDPSY-QJOVZPHJSA-N	606.679	6.365	50	40	KKGB	
COc1ccc([C@@]23C[C@H](c4ccccc4)N(C(=O)c4ccccc4)c4ccccc4N2C(=O)[C@@H]3Cl)cc1	8452022	RVOUGWLYLPOOAR-CKIYMEHHSA-N	509.005	6.337	50	40	KKGB	
CCCCOc1cccc(-c2cc(C(=O)N/N=C/[C@H](C)Cc3ccc4c(c3)OCO4)c3ccccc3n2)c1	8454637	ZAUACERNGYLVEZ-AXVACJNXSA-N	509.606	6.404	50	40	KKGB	
O=C(N/N=C/c1cccc2ccccc12)c1nn(Cc2ccc(Br)cc2)cc1Br	8780727	MAWQGLAXBBDQNK-BRJLIKDPSA-N	512.205	5.374	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2cc(C)ccc2C)cc1	16309433	MEQNJMSPHLAHHZ-FDAWAROLSA-N	511.647	5.209	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1cccc(C#N)c1	20195286	AOUQNTAPLPIHPC-OKCVXOCRSA-N	520.427	5.608	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1	59921239	DJCZHVLLXMEGTP-FDAWAROLSA-N	519.384	5.599	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	97960886	LIDHVJABHSYMMT-FABQOPTDSA-N	570.531	7.835	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccncc3)C(C(=O)Nc3ccc(Cl)cc3)=C(C)N2)cc1	97999632	YGUJJOWAYXYXGC-HHHXNRCGSA-N	560.079	5.840	50	40	KKGB	
Cc1ccccc1[C@H]1C(C#N)=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C1C(=O)CC(C)(C)C2	98006060	NNQMFBBTVQKJES-QHCPKHFHSA-N	581.689	7.099	50	40	KKGB	
CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc(Br)c1O	98048415	BUEZNSSSYXVMSK-INIZCTEOSA-N	534.863	5.735	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3cc(OC)ccc3OC)=C(C)N2)cc1	98048508	OFRIGTQDLJXJOE-NDEPHWFRSA-N	574.659	5.402	50	40	KKGB	
O=C(CNc1c(Br)cc(Br)cc1Br)N/N=C/C=C/c1ccccc1	100036127	UYPBXCHDBZLOBP-RPOCDWGESA-N	516.031	5.201	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1C	100124697	PWYYNJSQXUDURA-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl	100398333	NJHKTZIQMPRUQN-JFLMPSFJSA-N	524.857	5.031	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1	100925347	WMJCRUFJIUJRLZ-FNBPXTNNSA-N	522.424	5.093	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	103890712	AEENAYIDQMYOKH-UNOMPAQXSA-N	532.254	8.153	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl	103891071	HRZCTIMWYVOINH-YBEGLDIGSA-N	547.192	6.789	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	103901050	KFKSHVQUXNUBTF-FMFFXOCNSA-N	595.508	5.981	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1Br	104401916	HCXSWIPTVWJWJQ-KBKYJPHKSA-N	601.520	6.970	50	40	KKGB	
O=C(N/N=C/c1ccc(I)cc1)c1ccc(OCc2ccc(Br)cc2)cc1	105624385	YOAYASJCUNUEDQ-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
Cc1noc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N\c4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3O)cc2)c1C	150398570	CLWFVZOMHLWLGS-IRGIMFCPSA-N	826.701	8.930	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	162473408	GECBGRVCUVECQE-ATZGPIRCSA-N	721.855	6.798	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164700907	GEBXYEYNMMUIEM-STZFKDTASA-N	693.298	5.870	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408530196	LNOLMNQVCPLHGD-ROPCREHHSA-N	511.931	6.653	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408530411	LRSOSZFEKNUEMA-JJKQSNDFSA-N	540.369	6.552	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(-c3ccccc3)[nH]c3c(C)cc(C)cc23)c(C(=O)OCC)c1C	408545955	ALTGBFWNWLLKHQ-PXLXIMEGSA-N	554.668	6.894	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550109	BOLRZFZLRDRZNM-UDWIEESQSA-N	524.404	5.633	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(Br)cc1	408552035	RMOSIFYKKKSDPO-VCHYOVAHSA-N	627.358	7.157	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408552533	JIWYQIDCFPIRCW-SXGWCWSVSA-N	560.821	6.227	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408585432	DNVRQYRXIBBGLE-NHDPSOOVSA-N	539.256	8.561	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCc1c(F)cccc1Cl	408611956	STNDUWRFCCRVOR-PNQUVVCRSA-N	523.870	5.174	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408644734	RPIFZMKQLDSKIT-AGRFSFNASA-N	679.620	6.153	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408674330	ZDXSSUKDJPPMMV-NGEJOHNYSA-N	596.404	6.828	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2I)cc1	408676473	JCTDDZTYLRAISS-OGLMXYFKSA-N	539.417	5.543	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(I)c1OCc1cccc2ccccc12	408710733	XYRDQJSODBGXRY-KBVAKVRCSA-N	610.448	6.203	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1	408710870	RKGAXCFYNKNFHC-RPPGKUMJSA-N	536.195	5.702	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OCc1ccc(Cl)cc1Cl	408733073	VRKALCGDGZEHEW-GIJQJNRQSA-N	595.284	7.047	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744327	DYCRVRQFLNGTIJ-BOPFTXTBSA-N	532.740	6.208	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl	408744634	ZCRMKZGJNJTFAS-JBZNKQRISA-N	691.025	9.579	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408745044	OXTBYKDKJSVBBZ-YVLHZVERSA-N	557.198	6.244	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408746556	FDHQAYZOPHURAO-KYHGBAKBSA-N	523.391	6.098	50	40	KKGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl	408760705	DMUDUCNCZNAMSW-GDNBJRDFSA-N	518.334	5.215	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)c1	408760849	AIZJJFJWKYPIJT-LPYMAVHISA-N	543.417	6.744	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)cc1	408762532	OUSLDUQORJPXRI-SXFMDCDQSA-N	607.732	6.364	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)Nc1cc(Cl)ccc1Cl	408765626	WUDFAIDHKZJJNG-RPPGKUMJSA-N	521.198	5.537	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408789584	KHXWLSYTCJADHK-GIDUJCDVSA-N	662.536	8.139	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1	408793971	GVQPHNGCAJJXHX-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408822947	CYUPIXWDZWEERM-HZHRSRAPSA-N	697.221	8.678	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(OC)cc1Cl	408829980	NLSYERXWYPNKGK-RQZCQDPDSA-N	517.796	6.789	50	40	KKGB	
Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(CN(Cc4ccc(Cl)c(Cl)c4)S(=O)(=O)c4ccc(Cl)cc4)o3)n2c1	408833638	RZWKFIGRRWLCLU-DMWKKASYSA-N	644.968	6.659	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)c1	408833680	UAMWVRFOUZJMDM-BJUCDSOZSA-N	659.548	5.392	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(C)cc2)cc1Br	408838657	ZBNKELDPNBDWAZ-UHFFFAOYSA-N	536.492	5.178	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(C(C)C)cc5)c4C)cc3)cs2)cc1	408841648	GDCHSELMWQPVHU-ALQBTCKLSA-N	547.728	8.157	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC(=O)OC	408854261	BCFPYZOZZYLGLH-UCMJSZAQSA-N	537.616	5.506	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc2ccccc12	408855454	FEFKOWJWHKLIHS-LJUMEUDFSA-N	590.417	6.932	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	408863313	RAQCMNGRALELFL-NNLKUIAGSA-N	658.607	8.040	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1Cc1ccccc1Cl	408866871	IYTVIBYBEDSKAC-WOJGMQOQSA-N	560.794	6.619	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408871765	ZVZFCLNZCKCLSS-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408878609	AATTUFVIRLSDAP-VIZOYTHASA-N	626.088	7.551	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OC(=O)c1ccccc1	408886080	DBXAAIGDJBCNNM-RPPGKUMJSA-N	569.182	5.590	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	408887305	PJCKLFGBGGEKOZ-UDWIEESQSA-N	584.264	6.513	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1cc(C)cc(C)c1	408892431	BHIYWKRZXHIYMF-RGVLZGJSSA-N	572.830	6.695	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	408896101	MVMURXMAXDPILT-LZYBPNLTSA-N	543.319	5.943	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)ccc1Br	408905007	RVRZAMXVJBZANO-BCHBDCPOSA-N	586.111	7.561	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1	408940692	CTQLNCSLWFJNEQ-LJAQVGFWSA-N	655.148	5.342	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)c1	408949543	FQPSPZXMKRGWMJ-CLAOXVRQSA-N	797.430	5.914	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(Br)c1	408950060	RMKZPDUBDJWQNF-YTTGMZPUSA-N	687.616	6.066	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(OC)c1	408957571	VBZTXEFHXLLOKY-ZBVWQCQISA-N	775.407	5.428	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OCc1cccc2ccccc12	408958184	XOMFSYRSFJLHQN-ZCTHSVRISA-N	578.450	6.505	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408963041	LUPJWRKNVXWJOR-RPPGKUMJSA-N	620.197	6.051	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/C=C/c1ccccc1	408972411	SYNJJRWOLRKNIN-VQXRVRNASA-N	510.421	5.304	50	40	KKGB	
O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NN(c1ccccc1)c1ccccc1)OCc1ccccc1	409000780	XYEKCSRBUHFFCR-UMSFTDKQSA-N	571.677	6.973	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCC#N	409033929	GBTIAOLGZAJTEI-LQNQUEJISA-N	576.394	5.571	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1cccc(F)c1	409035422	POQCWSZANIPJPR-KVAAJVFYSA-N	678.527	7.649	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409041222	JEVKPUQKVNHMRS-LZYBPNLTSA-N	575.188	6.384	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccccc1	409048339	OAFRSJRXYVWJRB-WOJGMQOQSA-N	554.828	6.064	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)Cc2ccc(Cl)cc2Cl)cc1	409064307	CAJMFVOVFUFFFO-DPNNOFEESA-N	596.536	6.222	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409088919	HPWCVAQDKSMJED-CXUHLZMHSA-N	533.846	7.430	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C2=C1CCCC2=O	409125589	CZKIGAPLAWOFFT-SANMLTNESA-N	514.423	5.911	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C2=C1CCCC2=O	409130956	OOSOODQLZRDYEZ-JOCHJYFZSA-N	533.253	6.065	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc21	409149859	SNHWBNYFWDAYAU-QLJGTJTISA-N	594.498	6.197	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1	409168927	NTNQBNLVNDDTEK-KPGMTVGESA-N	690.922	5.323	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	409169645	QOYRSOXMJWTLKA-AMVVHIIESA-N	553.273	7.138	50	40	KKGB	
Cc1cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)c2)ccc1Br	409170501	VAPIDWYKXXHQGV-KVSWJAHQSA-N	578.250	5.171	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1	409185593	NATKKNJWYATATM-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)cc2c1	409187316	OVQXOICBZNXZLJ-DBFSUHOCSA-N	745.149	7.146	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(O[C@H](C)CC)c(OC)c3)cc2c1	409190982	XPOZHFYEJJZPFZ-VLKICEKPSA-N	536.366	5.386	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)NC1CCCC1	409194704	QJUUOKYOAYLCBA-YVLHZVERSA-N	598.222	5.441	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	409225197	JUEITULAZDIFCK-XGICHPGQSA-N	517.685	5.219	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409256619	MJVLLZVXFIQNQK-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1	409261201	AVADIFGFKYLVNA-LDADJPATSA-N	599.279	6.173	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409267854	WQFOAZLAKFOUGT-WOJGMQOQSA-N	558.354	6.340	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OCC	409305781	XIQRJBVGBZITOE-MWLSYYOVSA-N	541.988	5.787	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409316724	MYCUJGSBRQJKLC-NVJOKUIPSA-N	523.800	6.016	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OC	409332085	FWOQCSKGFHQIIV-WKIKZPBSSA-N	533.806	5.471	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	409360219	MFQWKQROYNOUSR-WKIKZPBSSA-N	689.129	6.239	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccc(Cl)cc1	409370837	DTSUKOCAJORWHT-NHDPSOOVSA-N	540.788	6.858	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1cccc(C(=O)O)c1	409372219	FXURHELJWHVKAK-WCMJOSRZSA-N	532.980	5.942	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)[nH]c12	409394581	CKWTXPNPFWFUNX-UHFFFAOYSA-N	795.109	9.421	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)c1	409394997	IPAWHHDSWNETGJ-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409395979	UUEGSEQSIUVSMN-UHFFFAOYSA-N	712.354	8.404	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(C)=O	409396645	ZQGVHOQHNJMJKV-UHFFFAOYSA-N	769.830	7.939	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397026	FFKDYQIWRFZDAZ-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)c1	409398179	ROHLJCOMTMTJMW-UHFFFAOYSA-N	549.583	5.844	50	40	KKGB	
CCOc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409403963	OVPLSEOWBSLIBE-MWLSYYOVSA-N	532.553	5.346	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccccc1	409407000	YLTXSODFJHGKEI-KOKCXWAISA-N	676.995	8.424	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O	409410108	TYLCHXWNPCNIJH-UHFFFAOYSA-N	554.946	5.735	50	40	KKGB	
C=C1/C(=C\CO)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	1083802276	LKDMRCVDAOOZGO-JZEAMISTSA-N	587.079	8.443	50	40	KKGB	
CC(C)c1cc(C(C)C)c([C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@](=O)C(C)(C)C)c(C(C)C)c1	1857795034	HVYVKRIMWAYKQQ-PWPASLGISA-N	611.876	9.298	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)c(OC)c3)C3=C(CC(C)(C)CC3=O)N2)cc1	1472077	NSIAAHOOYSHGKR-MHZLTWQESA-N	547.677	5.540	50	40	KKGB	
O=C(c1ccc(Cl)cc1Cl)N(/N=C/C=C/c1ccccc1)c1nnc(-c2ccccc2)c(-c2ccccc2)n1	1626339	BKCRTUKFUYESPB-VDJFITEKSA-N	550.449	7.858	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc(Br)ccc2OCc2cccc(F)c2)[C@H]2CCCC=C12	2752129	LXKKKJGDAAOZOH-GBXCKJPGSA-N	503.375	5.761	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OC)c(OC)c3)cc2)sc2c1CC[C@@H](C)C2	6167136	GUZFOQPHPLHGIU-HHBZTPDFSA-N	593.702	5.237	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(C(C)C)cc3)cc2)sc(C)c1C	6167253	GPCDKPOXKOKTNQ-XSZJBBQGSA-N	535.666	5.835	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1cccc2ccccc12	8812600	AOEPJWLIXJTPMP-MUFRIFMGSA-N	519.395	5.962	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1CSc1nc2ccccc2o1	9043020	PMRBQJBBNGNZCL-WNXAKXNLSA-N	504.439	6.170	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2nc(-c3ccccc3)cs2)C1	9591643	PZLYQMQMQMMNDZ-FXAWDEMLSA-N	503.407	5.240	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c1C	15231240	MPZGIKAKJJEVHN-YVLHZVERSA-N	515.875	7.222	50	40	KKGB	
CC1=CC[C@H](/C(C)=N/NC(=O)CNc2c(Br)cc(Br)cc2Br)CC1	53275962	UJFZONALKZWQMT-JHAVZTMOSA-N	522.079	5.625	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	97950479	WLHONIREPFARLX-HHHXNRCGSA-N	546.092	6.903	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1	97999387	WSWLCDOUULEIPV-XMMPIXPASA-N	560.503	6.412	50	40	KKGB	
COc1cccc([C@H]2C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CCC3)c1OC	98006138	ODFPLEYWMDMWGQ-QFIPXVFZSA-N	599.660	6.171	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2-c2ccccc2)cc1	100211724	OFRPLZSYKBYUHR-SISPBFPDSA-N	619.721	7.374	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(F)(F)C(F)(F)C(F)(F)F	100308167	NBDKKXLHEVKYCV-BPQMRJFZSA-N	570.086	6.618	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)OC(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)=C(C#N)[C@H]2c1ccccc1	100363427	OHYGOBIICAWKJQ-MGBGTMOVSA-N	554.630	7.356	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(Br)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852136	VDIHUHOUHQKCHI-LQNQUEJISA-N	562.537	6.545	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)COc3ccccc3I)c2C)ccc1I	100952126	BJPOSBWNWMLFKI-ROTLSHHCSA-N	613.237	5.141	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)c1	102719095	GEWQLWNQXJJUSP-SANMLTNESA-N	530.675	5.772	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc(Oc2ccc(C)cc2)cc1	102942033	XCHUBBUYXSYOEK-HKOYGPOVSA-N	550.615	6.162	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl	103897779	IYTUZGHNPILNLI-CCVNUDIWSA-N	535.497	5.441	50	40	KKGB	
O=P1(N(CCCl)CCCl)N(Cc2ccc(Cl)c(Cl)c2)CCCN1Cc1ccc(Cl)c(Cl)c1	104048822	SCUTYOCTTBZXRA-UHFFFAOYSA-N	578.135	7.896	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342072	JJGIJMDNTLSWCE-REOHCLBHSA-N	742.023	9.022	50	40	KKGB	
CC[C@H](Cl)COP(=O)(OC[C@H](Cl)CC)[C@H](OP(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC)c1ccc(Cl)c(Cl)c1	150385749	LTNOIMLGRMWAQH-HUZAZSGKSA-N	699.200	10.446	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795500	VAIKOVMVYSDELJ-FGZHOGPDSA-N	898.424	14.061	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1	205123865	DGMRIGBEIMVERG-UHFFFAOYSA-N	514.390	5.544	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)CCCCC)CC[C@]4(C)[C@@H]3CC[C@]12C	253499650	LUCINILKTDTAAV-KXYJTTCFSA-N	549.349	11.132	50	40	KKGB	biogenic
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408526132	ABIHLOJOYAGPJI-PNQUVVCRSA-N	540.767	6.263	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408537174	CKOZZAUADSBNGX-QQXSKIMKSA-N	579.609	6.706	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)ccc1OCc1ccccc1	408540119	NHEHOVRIRMQADW-OHUYPAJKSA-N	590.032	6.577	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1OC	408583699	WSIALWQQNWEMFT-VXLYETTFSA-N	586.280	6.619	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408588100	HVMYTNIOCIBAJR-KBKYJPHKSA-N	541.220	5.568	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408641342	CNVJUYXPRKBONH-ACRUOGEOSA-N	519.812	5.182	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)c1	408642554	FAVYOGAXQFVUNF-GYLOHHHQSA-N	779.265	6.239	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)sc2c1CCCC2	408741895	LXENBEWUUVUAHP-PXLXIMEGSA-N	501.652	6.374	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745972	PQTXOKVXTOMKOR-CHHVJCJISA-N	615.536	8.296	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccccc1C#N	408746710	FZIXREHWKAYUGP-JJFYIABZSA-N	502.368	5.132	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2I)cc1	408751057	VVYSCWQZJGATTF-CAQPMQTCSA-N	702.330	6.169	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl	408751625	APQNRXWZJKAOFZ-XNTDXEJSSA-N	535.214	6.863	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2Br)cc1	408752241	GZXYJHSBIRPEFW-BRJLIKDPSA-N	542.238	5.596	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)cc2Br)cc1	408759843	MSMZQTPTDOHMAK-CIAFOILYSA-N	626.326	6.987	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccccc1	408760034	QHSVQFXSYAEUDP-HYARGMPZSA-N	513.391	6.736	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2Br)cc1	408760530	AGMKSVBGQSGUPF-YBEGLDIGSA-N	566.260	6.378	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2Br)cc1	408761992	IVCUJRVOBNJKQI-DEDYPNTBSA-N	626.326	6.987	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OCc1cccc2ccccc12	408763786	KFGMXBMNYOFXMI-PCLIKHOPSA-N	610.451	7.731	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2ccccc2Cl)cc1	408774556	MIRALOVDALHAMD-ZCTHSVRISA-N	562.047	5.213	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(I)cc1	408777609	DDTUCLVSTCDQCF-WKIKZPBSSA-N	525.312	5.410	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795097	KCBXBEZHIUNPTN-BUVRLJJBSA-N	529.423	7.697	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(C)c(C)c1	408812805	TYEGRUZLAJJMGV-LPYMAVHISA-N	552.412	6.431	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1cccc2ccccc12	408817535	XWOWRXSXLLUAOM-ITYLOYPMSA-N	506.577	7.231	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OC(C)C	408819915	ZDDGEKWXBRAWPB-OVCLIPMQSA-N	510.759	5.676	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OCc2ccc(C)c(C)c2)c1	408823128	CUBKOYPMKIITGG-RDRPBHBLSA-N	532.640	7.324	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)cc1Cl	408823199	NAEPWBJJDQAGAF-OMCISZLKSA-N	582.267	7.451	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1	408828154	JELXFUVOHAAPKT-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408829362	NRJNWRAFFVUKCC-OEAKJJBVSA-N	608.319	8.460	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408831333	ZJOZENPJUVWLDJ-JBASAIQMSA-N	595.098	9.350	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408835675	XWTNBPRSDXVYSC-DHRITJCHSA-N	621.948	8.976	50	40	KKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl	408836484	RQTYYBJNQZGHJX-XDHOZWIPSA-N	511.792	6.783	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1	408837547	IKWWWWRWFCYUAD-JEPNHJGPSA-N	639.561	5.077	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408839380	RJZYRPSEVDPCKY-UHFFFAOYSA-N	597.705	6.951	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1	408852778	NGJFHMRGHGELSP-YNFMAFFXSA-N	613.262	5.566	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(I)cc1	408856839	RIOZVVLZHNPZEX-MUXKCCDJSA-N	619.253	6.542	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408884378	YVSJMWGRRQFJFA-LFVJCYFKSA-N	680.520	6.501	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Cl)c2)cc1	408886060	HQBFIMKNGIQQMD-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1cccc(Br)c1	408886808	MIPOADIWMPPAQB-BRJLIKDPSA-N	567.075	6.317	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12	408887761	TUTMODWPRNHHCI-LPYMAVHISA-N	572.415	6.952	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl	408897883	JFLXGAKVSJUNKY-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408898202	VRMJCOQOTQPZMB-RQZCQDPDSA-N	689.118	7.636	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccccc1Cl	408898808	NBMLLWLZEIHDDR-WOJGMQOQSA-N	637.699	7.230	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	408905683	CIJCYZXTBMRSAY-XDRVCWSLSA-N	524.017	5.125	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1	408938863	AJNQVHKCXWWYHF-MHZLTWQESA-N	671.559	5.156	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(OCc3ccccc3C#N)ccc3ccccc23)cc1	408940978	JEYJWINMJZLZGW-SGFZWYBVSA-N	560.657	7.821	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]23)cc1	408958425	YTEIRFIKOZQQGP-YVPGTDJASA-N	561.641	6.115	50	40	KKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)oc12	408972265	OONOEEPDFBSIAB-UVHMKAGCSA-N	513.775	6.200	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408985080	UYQLWSSLHGFBHM-APSNUPSMSA-N	585.112	8.496	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1ccncc1	409040302	HQGZWMJNCUFNCD-VREQVNACSA-N	548.602	5.201	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)c(C)c1	409070762	LZEZYAHJKUHRIV-WOJGMQOQSA-N	501.391	5.924	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409130240	KXXOASZPONHLHD-AREMUKBSSA-N	556.490	5.964	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409140117	IDHDHIRZXISWBD-KKMKTNMSSA-N	526.645	6.681	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1	409159798	UWHZVTVOYVFRGJ-VTNSRFBWSA-N	625.520	5.360	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409186224	ZCTATYUTBNMWFM-MWBNBJEGSA-N	685.040	7.037	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409208264	BQKBBOAOSIZLBD-CCVNUDIWSA-N	623.900	5.603	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1OCC	409224612	KWYIXYCGCVBSQD-BWQVLXIMSA-N	701.530	6.790	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409239282	PEABARZRBJZQJM-DXJNIWACSA-N	517.717	7.218	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409245472	UGTRTCSWZLHRPT-UUASQNMZSA-N	649.088	8.662	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409248897	HSCQBCLMFINYBV-QDTIIGTASA-N	609.702	6.045	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1	409253028	ALBYJAZLBUNGNY-UDWIEESQSA-N	612.908	6.772	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(O)cc1	409258652	YNLJVNCREOWXEU-LFIBNONCSA-N	526.774	5.371	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409262922	JNQWDXUWCIHBPF-WQRHYEAKSA-N	510.377	5.874	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409263997	JYLMZLFPFCWOIL-YBFXNURJSA-N	615.855	6.133	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3Cl)c2)ccc1OCc1ccccc1	409265392	URPYTMMYSFBPEJ-APTWKGOFSA-N	558.034	6.099	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1OC	409312577	LWLAZGHBONQWSX-NUJZUDFISA-N	564.263	6.672	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OC	409319292	CZQYBZLGTXLCST-ZRGSRPPYSA-N	504.326	5.262	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC	409320224	ALFAXTGBQPIPMK-MWLSYYOVSA-N	541.442	5.906	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCCC)c(OC)c2)cc1OCC	409322818	YAKAWWDOPPRZET-MYYYXRDXSA-N	540.398	5.040	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1OC	409325359	YCTMVLQVBXQDTH-MUXKCCDJSA-N	571.866	5.976	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409369782	XEQBBRNFWJMPPJ-QDTIIGTASA-N	563.463	5.168	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2Br)cc1	409372436	ZEFBEPBEQJZBEO-AQTBWJFISA-N	536.382	5.029	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409372558	ZRIUXRQXBORBGZ-UNOMPAQXSA-N	509.375	6.377	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409381230	KWGUPQLRNJJOKH-RQRWGXNHSA-N	735.060	8.158	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386809	SCROWZXVNALWQH-LUOAPIJWSA-N	670.710	7.173	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccccc1Cl	409387366	WAVMKVAGIJUFTD-PPDIBHTLSA-N	574.840	6.577	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)[nH]c12	409394470	AVBSPIFVMUHSFW-UHFFFAOYSA-N	647.323	7.352	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1	409394746	FIDVSCBMGLFGQD-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409396754	ASUGBQHPORPRJZ-UHFFFAOYSA-N	541.966	6.619	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C(F)(F)F)cccc4c3-c3ccccc3Cl)cc2OC)c1	409398112	QRJISOACOQDBFK-UHFFFAOYSA-N	621.999	7.507	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccccc1	409406011	VSBMMBNHKBGKDQ-QJOVZPHJSA-N	689.550	7.612	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(OC)c1	1529544434	GBSVBCDTDNSZIA-DMFIQNIRSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)COc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	1531386438	WHPURMMCEVYZEL-ZMGVVAQMSA-N	580.037	5.634	50	40	KKGB	
CCc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Br)cc1	650886	YVGXNQPRIAYCIK-JOCHJYFZSA-N	513.457	6.103	50	40	KKGB	
S=C(SSC(Cl)(Cl)Cl)N1CCN(C(=S)SSC(Cl)(Cl)Cl)CC1	1671465	UFRNGMDNRAWIOZ-UHFFFAOYSA-N	537.286	6.592	50	40	KKGB	
O=C(c1ccc(Br)cc1)[C@@H](Br)[C@H](c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-]	1687181	GMMLPTGIJBFXHR-ACRUOGEOSA-N	503.190	6.197	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	2214314	FCLIBHNANQEGOH-MUFRIFMGSA-N	516.692	5.439	50	40	KKGB	
CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1Cl	2310661	OSIXUYLSAPKILW-RTWAWAEBSA-N	518.422	5.642	50	40	KKGB	
COc1ccc([C@@H]2NC(=O)C(C#N)=C(SCC(=O)Nc3ccc(SC(F)F)cc3)N2c2ccccc2)cc1OC	2670613	JSYVJYSBYDEYDT-RUZDIDTESA-N	582.654	5.761	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	4086256	XHVOFIUMCFELPN-QFEZKATASA-N	544.526	8.414	50	40	KKGB	
CCN(CC)c1ccc2c3c(c(=O)oc2c1)[C@H](c1cc2c(C)cc(C)cc2nc1Cl)C(C#N)=C(N)O3	6078537	DMBPFWFNAFTSJX-HSZRJFAPSA-N	500.986	5.676	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	8384625	RKZCCWVPUSWKOY-BCOWRPMWSA-N	673.113	5.961	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2cccc(Cl)c2)cc1	59472839	UCCJIODYLCFNQZ-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2cc(C)cc(C)c2)cc1	59647421	RQMRDJXQPLSNQK-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O	97946879	CFDDSKDTLOUYFC-LZAZYHHXSA-N	553.423	5.170	50	40	KKGB	
COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(OC)c1OC	97966540	NWOCRXAWIPUCFD-NBVRZTHBSA-N	678.948	7.566	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1cccs1	97999542	DGKLYPOAEBXGOR-RUZDIDTESA-N	561.645	5.371	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1	100119071	ARWMXHVCZIQJLG-AMEZEBJKSA-N	587.543	6.395	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126086	SDUQUABKTUWQSF-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1)c1cccc(Cl)c1Cl	100379192	UCVKIKJEVHDEIW-KKMKTNMSSA-N	545.275	6.030	50	40	KKGB	
N#C/C(=C/Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(Br)cc1	100937295	GIYRYYUJDIBNIX-STZFKDTASA-N	523.330	6.511	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2C)cc1	101081260	YBKAXPKZTCDZRV-CPUZRTFYSA-N	522.457	6.675	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Br)ccc3N[C@H]2c2ccccc2F)[C@H]1Cl	102070535	ZGQBLUUGPANQGY-VXOXUXMCSA-N	533.850	7.535	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3c(C)cccc3CC)=C(C#N)[C@H]2c2ccco2)cc1	102760602	QCTKTWGTOCXCJI-NDEPHWFRSA-N	584.698	6.034	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	102808662	UQDSJPHQPVGLFV-SANMLTNESA-N	583.035	7.065	50	40	KKGB	
CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528438	WZDVLTGJIFOBKN-AWEZNQCLSA-N	592.315	9.595	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	103528728	RYJGKUHJGONJKM-JOCHJYFZSA-N	554.510	10.810	50	40	KKGB	
COc1cc(/C=N\c2cc(Br)cc(Br)c2)ccc1N(CCCl)CCCl	104089234	QIBZOXRCFJMDBN-FMCGGJTJSA-N	509.069	6.255	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1ccccc1Cl	105410646	YNXICOCVPAIGGY-ULTJBXOUSA-N	566.867	6.199	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)c(C(=O)OCC)c1C	110288011	PVMZKBSKADSBRC-KGENOOAVSA-N	552.048	6.361	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)ccc1OCc1ccc(Br)cc1	112264988	MOHQAYRPGOOEHS-CCVNUDIWSA-N	608.274	5.594	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150412370	MHRAHWHCDGSLSC-IOIBFPCHSA-N	648.288	6.484	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCC[C@H](I)CC(F)(F)C(F)(F)F	169795287	UTMQRYBQCYDSAK-BQBZGAKWSA-N	588.005	6.939	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408535556	YVEWWVUESOQPRA-VFLNYLIXSA-N	506.322	5.609	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)OC)cc3)cc2Br)ccc1OCc1ccccc1	408539921	ZYLVYUHJVFCACH-YSMPRRRNSA-N	720.414	8.101	50	40	KKGB	
N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408551034	AFYWOAPMDPNTNO-YBEGLDIGSA-N	511.321	5.465	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)ccc1OCc1ccccc1	408552154	OSBQBMQAZADHJE-RODHXAHZSA-N	748.401	7.366	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(I)cc1	408568995	LTXRGBGDILRHIN-MFOYZWKCSA-N	665.244	6.953	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	408580019	MOLXYSIBPQGXHZ-LPYMAVHISA-N	505.412	6.546	50	40	KKGB	
C[C@H](NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1	408607880	FKSBXKCOHZYZCK-VMJBBSNPSA-N	549.252	5.662	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	408643791	PZNARIBBWBMBER-YRPNKDGESA-N	610.730	5.119	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408649609	YNNSFYXFLKYNPL-NCOADZHNSA-N	696.017	5.918	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1	408667627	BTLABFJEPATAGY-NCYKPQTJSA-N	562.302	5.490	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408680400	GEBXQPPXTZOMAM-VPZWPZHPSA-N	635.567	5.982	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Cl)cc1	408725527	LCSLJZTVFJPEES-MIAWKINXSA-N	519.867	6.357	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408742920	CRMABEBNFAEUCM-IUXPMGMMSA-N	642.118	7.794	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408744903	IAMHWAYXAIBGQQ-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)c1	408745755	OWFSKMIPHSJIBK-ZDLGFXPLSA-N	574.244	6.874	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Br)c1	408764168	LMPYUXKJQCJTOK-YVLHZVERSA-N	577.191	6.317	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccc2ccccc2c1	408787041	ZZUNKOGSCDWSBW-NHDPSOOVSA-N	526.374	5.464	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408791586	ZCCVZEMZUAXZKH-MFKUBSTISA-N	585.454	6.912	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408791886	DVNRTIVBQKLCBI-RDRPBHBLSA-N	619.515	8.315	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(I)cc1	408793273	DRYRBXRGHVGTMT-XDHOZWIPSA-N	573.228	6.487	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(I)cc1	408798657	WKMOJNMDSXLHQJ-PXLXIMEGSA-N	552.412	6.377	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1cccc(F)c1	408799598	ZOOAHEMNQUPRRR-VCHYOVAHSA-N	529.793	6.765	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)c(C)c1	408801677	WWNJPVBQMGYHCH-KEBDBYFISA-N	583.382	5.950	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408806025	AAZREDFMDFIRPX-XLNRJJMWSA-N	599.554	7.595	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408831877	HORKNOJXGPRTHM-WPWMEQJKSA-N	714.987	9.119	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408835536	NPNJHBPRVQFQTC-SRZZPIQSSA-N	632.758	9.657	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838703	HJPQGJCLXYFKGK-CDLBOOTPSA-N	793.912	10.070	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408840072	XKKVSCXFRUCEPZ-AMVVHIIESA-N	569.470	6.566	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)O	408841662	GKYIVBGSHQFQOC-VFLNYLIXSA-N	551.024	5.751	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(Cl)c(Cl)c2)c(C)c1	408848566	RAUGRPXIOKDPKX-RGVLZGJSSA-N	544.276	7.806	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)cc(I)c1OCc1ccc(Br)cc1	408865272	COGVIJKYZGOXJW-ZRGSRPPYSA-N	580.220	5.190	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)c(OC)c1	408870358	UPPYTTZLSKXXNI-DJKKODMXSA-N	623.274	6.418	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408877520	WOYMTMVDLUIJPR-RGVLZGJSSA-N	621.302	7.684	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2Br)ccc2ccccc12	408880105	HGSAOXVKVDONLG-RCCKNPSSSA-N	531.837	7.689	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12	408886616	HOXWEPIQZKGVCT-FJEPWZHXSA-N	509.389	6.263	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1	408887299	NLOGCEVYHYUHLL-BRJLIKDPSA-N	565.751	5.204	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CSc2nc3ccccc3o2)cc1	408888673	YSGCKKVNAHMERF-LGJNPRDNSA-N	524.396	5.360	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2OC)cc1	408891219	NASCBZTVLIUSDK-CXUHLZMHSA-N	542.331	5.684	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c([N+](=O)[O-])c1	408893124	FNZCWJKRNJUCMY-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Br	408894666	KEZJCFNSOLMODH-YBFXNURJSA-N	556.254	6.653	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2)cc1	408942278	YUFXQSARPDWWBW-BWAHOGKJSA-N	524.598	5.887	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)c(OC)c1	408948315	CQGLMWUHENCSKL-WLCOTJRJSA-N	780.470	6.673	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408950103	RNVPDJKSDPPYRL-NDEPHWFRSA-N	736.472	6.229	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OCc1ccccc1Cl	408954998	OAWAYGIFBDHNQK-NJLXJUSUSA-N	677.154	5.385	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(I)cc1	408962926	LEJMVEBHPOUTIV-XODNFHPESA-N	554.306	5.662	50	40	KKGB	
CCCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408969605	QOZGBAGAQUDFSQ-DAKXVSLYSA-N	542.463	5.427	50	40	KKGB	
CCCCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408974470	ZMAPEZGXKLOOEV-VZRKRPILSA-N	601.369	6.383	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1Cl	408981692	CLMKVPFWZFMOAG-FMQZQXMHSA-N	560.231	6.918	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2	408981722	WKTSPSZVSJYXQF-ANGWUCRQSA-N	549.700	5.918	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	408982465	HCZLDESLPDQZDA-MFOYZWKCSA-N	595.118	7.952	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1Cl	408984500	RNDWJBWUDTWACQ-BKUYFWCQSA-N	527.968	6.697	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408985072	UVWLMEUZNNHSDR-NVMNQCDNSA-N	556.800	6.452	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409008794	IGCJOXJBJZEXQH-PGGKNCGUSA-N	650.061	5.268	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409011009	FHVFDHYPQAKACS-ZSNJKBEMSA-N	630.583	7.097	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409012654	KYNXVESAKPMETM-XKJRVUDJSA-N	679.106	6.777	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(O)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409017387	WFAWXNSGRYACGN-AERZKKPOSA-N	598.416	5.685	50	40	KKGB	
N#CCOc1c(I)cc(I)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409043462	FKMKQJFSYDIWCB-WKULSOCRSA-N	658.237	5.777	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccccc1	409049522	XJORWSYUAAALJQ-FYJGNVAPSA-N	595.437	5.870	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2ccc(I)cc2)c1	409067497	YJMMQWNCHSSIFL-LFVJCYFKSA-N	579.482	6.879	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409080211	MXSNXHSRDZQOFA-LDADJPATSA-N	622.868	5.965	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	409086759	BAEJPWKTWQAYCB-KKMKTNMSSA-N	554.215	5.739	50	40	KKGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1)Nc1ccc(Cl)cc1Cl	409152981	GWNAPMPZKIQSTI-IPBVOBEMSA-N	554.217	5.407	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2cc(C)ccc2C)cc1	409185094	SDCMMBZDYZGTOU-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1cccc2ccccc12	409190837	RELVYXKAFVSGRE-BKUYFWCQSA-N	552.412	5.998	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)NCCCc1ccccc1	409221696	UYMNJLGNVGRBKQ-PKAZHMFMSA-N	572.446	6.679	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409221845	AZTMXXKMFRSWFN-UHFFFAOYSA-N	581.581	5.058	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	409246592	JGZKUGJRXBGSGZ-IVKFTBJLSA-N	510.037	7.111	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409269388	INSOLQXXIFCGFL-SXGWCWSVSA-N	511.321	5.465	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl)Nc1ccc(Cl)cc1	409270876	RTEZSODLHVJXRM-IRWBXMRWSA-N	685.420	8.949	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)c1C	409273552	ZAZUWMUPXPCSIY-VCHYOVAHSA-N	599.279	6.097	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)ccc1OCc1ccccc1	409302753	JYCRDPSEHZJLED-OHUYPAJKSA-N	577.450	6.909	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccc(C(=O)O)cc1	409336179	QUXSCWGTKGGWST-GXBUFBABSA-N	568.626	6.104	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2cccc(C)c2)c(OC)c1	409372723	HWTOKONSBSHEHI-OKCVXOCRSA-N	580.422	6.113	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1OCc1ccc(I)cc1	409386823	SJFQXFUQBZRMAK-OKCVXOCRSA-N	641.487	6.884	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396344	MWKZNFUYSZCXIT-UHFFFAOYSA-N	555.993	7.009	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409397406	JNEBEPNSKISIBZ-UHFFFAOYSA-N	562.969	6.072	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C(F)(F)F)c4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409397686	MTPRSNXGQAYGEJ-UHFFFAOYSA-N	621.999	7.507	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1cccc(C(=O)O)c1	409400189	BYMOEMGWTOXLEC-FRKGHFGRSA-N	765.455	8.231	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(CC(=O)Nc4ccccc4)c4ccccc34)o2)cc1	409401009	FYDNEUMDYAHGLB-DBSPGSINSA-N	599.691	6.932	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409401538	HMFAJJARLFQQEM-GYJUCFALSA-N	653.486	6.031	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1cccc(F)c1	409402240	JIIHPOKQLYDJJR-UHFFFAOYSA-N	645.087	6.849	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccco1	409410707	ZYQCRTKKQIVCAP-CAQPMQTCSA-N	553.571	5.851	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	1529545708	ATTJKGHLNUVUHA-VUSQDURTSA-N	696.440	6.764	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(OC)c1	1529548406	FSJZKXGEZMBJOZ-CKRMDNAKSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1cccc(Cl)c1	1529548965	QZEVJKFNFBHZNJ-JKYKOXDNSA-N	797.897	6.171	50	40	KKGB	
CN([C@H](c1ccccc1P(c1ccccc1)c1ccccc1)c1cccc2ccccc12)[S@](=O)C(C)(C)C	1857795263	ZAOBJUBMZVUTAS-MLZZNZMKSA-N	535.693	7.081	50	40	KKGB	
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2cc(OC)c(OC)cc2Br)cc1	1082045	HVOWACBDIFODHS-CPJLOUKISA-N	509.400	5.360	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(Cl)cc3)=C(C)N2)cc1	1102424	HRQDNYJVLMPWBW-AREMUKBSSA-N	549.052	6.038	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1	1790156	INBPIIYJMZBBNX-IVYNLYIOSA-N	556.844	6.307	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c(OC)c1	1901270	VQHVLHBKGGXPHO-CCVNUDIWSA-N	542.448	5.501	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCCCOc1ccc(Cl)cc1	2149988	HHIDLWNJMDXHSH-JFLMPSFJSA-N	518.795	5.118	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	3044682	KSQKISFJKVBEAV-CEIJFQMVSA-N	547.442	6.241	50	40	KKGB	
CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1ccc(NS(=O)(=O)c3ccc(Br)cc3)cc1)C(O)=N2	3288039	OGMJIBSCHMQJLS-UHFFFAOYSA-N	541.427	5.109	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)c2ccc(C3CCCCC3)cc2)N1	6444324	OSBXETDSGHMSPZ-HKBQPEDESA-N	567.780	8.055	50	40	KKGB	
CCCCCCCCCCCCCCCCNC(=O)[C@]12CC[C@](C(Br)Br)([C@@H]1Br)C2(C)C	8440302	QZQFKTHWSDENLQ-BYXVTNLJSA-N	628.372	9.270	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=C2CCCCC2)cc1	20059490	OACVOWVERXPMLW-UHFFFAOYSA-N	510.059	6.094	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1cc(Cl)cc(Cl)c1	58853778	IRWKPGLFTMEZMZ-IBBHUPRXSA-N	520.485	7.354	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1	59245289	WGWRZXDXPHDGKY-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(Cl)cc2)cc1	97939471	OBQMMONYEOCTFS-YUMHPJSZSA-N	537.001	5.137	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)c2ccc(F)cc2)N1	97951244	GPRCRKQUEOKZKW-MHZLTWQESA-N	533.024	6.535	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1	97960871	CPURLZHSCBQFLH-LYQDPQKGSA-N	610.761	9.650	50	40	KKGB	
O=C(N/N=C/c1c(Br)cc(Br)c(O)c1Br)c1cccc(Br)c1	97961868	SFVWZVGUFQDRDA-KPSZGOFPSA-N	555.846	5.206	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	97962918	KFVJLWRGNLVXMV-BOPFTXTBSA-N	653.292	5.684	50	40	KKGB	
CCCCc1ccc(C[C@H]2S/C(=C(C#N)\C(O)=N\c3ccc(Cl)cc3Cl)N(c3ccccc3)C2=O)cc1	97968679	PWZIQCQFTRSELV-LVVXZCGBSA-N	550.511	8.050	50	40	KKGB	
CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	97981076	VCEOWDUHLLZEIF-WSDLNYQXSA-N	609.420	6.222	50	40	KKGB	
CCOc1cc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc(Br)c1O	98048419	LDFJFZGGEGXJJB-HNNXBMFYSA-N	534.863	5.735	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100123629	CRRTZJLDOUHZIJ-STBIYBPSSA-N	566.039	5.001	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100130180	ZYJWYTZMLGBNJP-GTWSWNCMSA-N	549.096	5.131	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1)c1nc2ccccc2s1	100816531	JLIBYBCKPWBQGW-LGUFXXKBSA-N	577.687	6.327	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C/c1cc(O)ccc1Br)N/N=C/c1cc(Br)ccc1O	100840676	UOJPWWHRCHHQLB-DPCVLPDWSA-N	596.320	5.344	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1	100989500	DMEKGWYSAUWVOJ-CKVBZJJFSA-N	556.844	6.307	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)c1	102496063	DDDNIIPQKOUHAH-PMERELPUSA-N	551.668	6.915	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(NC(C)=O)cc3)N=C3CCCC(O)=C32)cc1	102615666	CEEDGFPEUNZINX-AREMUKBSSA-N	516.623	5.685	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cn(Cc2ccc(F)cc2Cl)c2ccccc12	103785705	VCJWPUKMYYJSGK-AABVJFSESA-N	536.994	6.101	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccccc1C#N	104402221	PWJGZRGXHKQADE-CCVNUDIWSA-N	557.242	5.825	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@@]4(Br)C[C@@H](OC(=O)C[C@@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	118913428	XROACRVMHWKIOK-KDAQTZQKSA-N	651.008	9.928	50	40	KKGB	
FC(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341991	LFZCPGNWKQNURF-UWTATZPHSA-N	792.030	9.658	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	150363765	BPBKBQZERGFAHT-KVAAJVFYSA-N	674.976	6.483	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	164706320	IGYMALXTPXIMIX-HAHDFKILSA-N	638.462	5.433	50	40	KKGB	
O=C(O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21	245232061	OTHQNINSJWIIPA-WWFBMYBLSA-N	525.970	6.240	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2Br)ccc1OCc1ccccc1	408538464	NFRVJEVBSFAIAE-AEVGBRMKSA-N	735.498	8.964	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	408570745	XZLSQIUPJKXHOV-VFLNYLIXSA-N	567.947	7.234	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408584093	ZYOLWDRNPCEJOS-YBFXNURJSA-N	542.329	5.860	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1[N+](=O)[O-]	408599701	YSRZRBPDGGVGDZ-BHGWPJFGSA-N	578.173	5.371	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1	408608758	PPGPXOFHHJNVOF-MRXNPFEDSA-N	500.382	5.077	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638931	DPQVMCQOKDLORY-IMWYJMLKSA-N	738.493	7.678	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408681442	JLNQAXFQBPQLAM-MVXJNQHVSA-N	586.202	5.240	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)ccc(Br)c1Cl	408690658	WFTBXNLZNZFJOQ-YJEJQGFLSA-N	602.696	5.321	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408710633	AVZICQPLOPUGTC-XKJRVUDJSA-N	586.697	7.160	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2I)cc1	408745623	UJPOLFUUMMKUCA-JAIQZWGSSA-N	587.255	6.795	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)ccc1I	408747976	WLYSGHQLODFOTG-JLUADYMRSA-N	500.296	5.185	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](C)SCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751411	NYLAWSGEIUOKMR-QVRZOCQISA-N	511.691	6.684	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408760903	ASZSPBATXJYGLO-HAHDFKILSA-N	605.330	7.744	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)c2C)ccc1I	408787076	QRVRSSGHEKNSPH-ODLFYWEKSA-N	506.309	7.090	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1cccc2ccccc12	408789888	SJECYWYBFKYIHM-MFKUBSTISA-N	555.472	7.743	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408794875	KIVPPYXIUDUSHT-RQZCQDPDSA-N	580.693	7.933	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c(C)c1	408798593	WDBMQCOPAMONPG-VXLYETTFSA-N	679.252	6.546	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1	408818328	NTAKJBNNLDIXQU-DICXZTSXSA-N	519.355	5.593	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)cc1	408821100	CMGYZFRDECLMOJ-HAHDFKILSA-N	567.558	5.935	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)c1	408828304	DLOQHKCZZPZWOA-KPGMTVGESA-N	616.523	6.067	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	408833754	UUMYMMRFAJFDGS-OEAKJJBVSA-N	682.796	8.577	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838933	KLOLAPQNIJDDNX-PTEHHBOZSA-N	642.395	9.510	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408839070	MLQLQSNXDRWECE-KCSSXMTESA-N	546.410	6.158	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408839728	VUZQGEDFRUIFKZ-PUHLOBNQSA-N	756.816	8.223	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408842016	HVKQMIUVDXXYLV-SAEPALGJSA-N	688.158	7.215	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1C#N	408852674	VMRQYCNKIZCVGX-DBSPGSINSA-N	619.519	7.438	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3Br)c(OCC)c2)cc1	408864984	AKUPKVKJRBLFSS-DEDYPNTBSA-N	539.857	7.036	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408877245	UMMOQWPKNJFJNJ-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1Cc1cccc(F)c1	408878280	ZKZRWTJFYKZQCF-RGVLZGJSSA-N	584.385	5.752	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408889149	FDCRXGIOGFWGMJ-MHWRWJLKSA-N	519.426	5.066	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)cc1	408892502	ZZUXYBGCQXFHAK-KBKYJPHKSA-N	532.232	6.140	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1c(Cl)cccc1Cl	408893184	FYJUWIYPVQUSEQ-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1C	408925653	SOQKAVLFZWQFJO-RGVLZGJSSA-N	583.382	5.950	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)c(OC)c1	408958159	XKUJYIDVSALFSP-OQMZEJBMSA-N	713.557	5.295	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(C)c1	408963322	MZFMJRYYFUDNMU-AMVVHIIESA-N	582.360	6.360	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCCOc1cc(C)ccc1C(C)C	408973502	SVLVZGGPORLTAB-STBIYBPSSA-N	525.443	6.111	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	409009098	BHJRIPHXGFUDIX-NSKAYECMSA-N	641.647	6.533	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	409010753	DNEPYHUJELNZBX-WYRGDFJZSA-N	713.743	6.875	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409010821	LRDUNWLLGGLHAO-PNQUVVCRSA-N	697.707	6.893	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)ccc4OCc4ccc([N+](=O)[O-])cc4)cc3)cs2)cc1	409029708	AMTTWENZFMWSNU-ATZGPIRCSA-N	598.084	7.767	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409046558	KPWLEOCBTMRFGR-ATZGPIRCSA-N	658.534	7.576	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409091240	RYGAKGMWDVUARY-LICLKQGHSA-N	590.352	7.421	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409188908	CDNRGQUZXADQFT-XODNFHPESA-N	548.796	5.422	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-]	409219494	RCIQOYJHTCITOQ-SAKRRXPTSA-N	579.525	5.138	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409220269	VTPJIAJPOLIKKE-ACXHZZMFSA-N	577.380	6.137	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(OC)cc3)c2)cc1OCC	409227043	XCRYQGBUYUAMPO-UHFFFAOYSA-N	581.625	5.728	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409251218	OXGJQMHTKZQJFG-GZTJUZNOSA-N	512.747	6.092	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)c(OCC(=O)Nc5cccc(C)c5C)c(Cl)c4)cc3)cs2)cc1	409263927	JMIWAVWMVSKWDF-ADJDCTSUSA-N	658.611	8.567	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(Cl)cc1	409305622	WFWYXKRSTWXTHH-MUXKCCDJSA-N	503.382	5.752	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409315759	OOXNTYVISWJAFE-RGXNXFOYSA-N	574.655	5.513	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)ccc1OCc1ccccc1	409316026	KHMPLWYXXFAEKM-GXBUFBABSA-N	559.062	7.059	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)ccc1OC	409334740	MUVPMSBXHXANFT-FDVSRXAVSA-N	618.424	5.138	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409335518	ORQFZJUNWQCRIB-FZKWRIDDSA-N	588.060	6.108	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	409362581	IGGIDWBVTKRQNH-VYYCAZPPSA-N	669.257	5.638	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	409366554	WCDVNEVCMBDQAN-MUXKCCDJSA-N	594.833	5.242	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Br)cc2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409369037	YOLHAHSQNNAJHR-DBFSUHOCSA-N	597.362	6.022	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409371694	KDYDFUPXOAFGJF-NVMNQCDNSA-N	510.300	5.917	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)c(I)c1	409371949	CEBUNPICEACRPV-WKULSOCRSA-N	662.265	6.401	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409382499	NTNUYVIJZFVPOU-UYRXBGFRSA-N	580.435	5.428	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409393399	WXLLHQKCFZLZFI-ODLFYWEKSA-N	608.436	5.965	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409396817	BOCHPHGTOSCJAX-UHFFFAOYSA-N	531.927	6.212	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409396884	CLMVMMPAGKXZHB-UHFFFAOYSA-N	606.893	8.095	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409397325	IRUWRMWXDJTKCJ-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccccc1Cl	409397425	JTSUUPWLYVBYBD-UHFFFAOYSA-N	619.846	7.076	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409397508	KONPERYVUFUSQC-UHFFFAOYSA-N	552.030	7.179	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(OC)cc4c3-c3ccccc3)cc2OC)cc1OCC	409399122	XVZZZXGCFRXKKE-UHFFFAOYSA-N	607.663	6.633	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409399314	ZJUVZPKHYVLOSX-UHFFFAOYSA-N	639.833	6.678	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)OC(C)C	409407088	YVDOSOFVXJYZIY-ZMGVVAQMSA-N	604.616	5.277	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C(C)C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1	1244344	XZENVWLYSVJZRY-HHHXNRCGSA-N	515.679	6.256	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1OC	2320837	NXDFWGIMECBKGT-FDAWAROLSA-N	543.693	5.800	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1OC	2347350	JJKBBBWLGYKUPF-DHRITJCHSA-N	510.666	5.243	50	40	KKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2	2669778	XPNDJDZCFXOQEO-ACCUITESSA-N	501.391	6.526	50	40	KKGB	
Cn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)nnc1-c1ccccc1Br	2727123	OOWNPNPPQZOCNU-CCVNUDIWSA-N	570.900	5.719	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)ccc1OCCC(C)C	3433058	CYBRQKJAVHVEMT-AMVVHIIESA-N	522.955	6.050	50	40	KKGB	
CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)c1	9185249	GHBXJJKEEFPESR-HMMYKYKNSA-N	511.632	5.463	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	12250453	GTXVMECHBAPZDZ-HHHXNRCGSA-N	512.635	5.911	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1	12463613	VCZSAZMDBMZBME-OWAQKBPCSA-N	518.353	5.407	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	14361375	GLZJEJORZCPFIE-JKUICJFLSA-N	529.559	5.723	50	40	KKGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)c1	20243681	UJYPEEPAWSFVPR-BRJLIKDPSA-N	515.433	5.457	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1cccc(NC(=O)c2cccc(F)c2)c1	22846175	VDLNCPVYARELKW-GXBUFBABSA-N	521.548	6.557	50	40	KKGB	
O=C(N/N=C\c1cccc(Br)c1)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1	30735414	VUYIYWDAXZFKBX-VYYCAZPPSA-N	509.791	5.836	50	40	KKGB	
CC(C)c1ccc(N2C(=O)/C(=C\NNC(=O)c3sc4ccccc4c3Cl)c3ccccc3C2=O)cc1	33014797	CDMHRWBJMIMDKP-JCMHNJIXSA-N	516.022	6.141	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccc(Br)c1	59222101	NDEMEVJEOALOLR-UGWJVXAQSA-N	604.482	5.660	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)S(=O)(=O)c2ccccc2)cc1	97970874	GWLZNTKACRRCSR-KEIPNQJHSA-N	666.594	6.171	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)cc1	100078340	VDAIXJBXHUVLFU-VZQSUIEHSA-N	550.851	7.848	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1	100407710	QDCNQCJDJFLIPS-IURWMYGYSA-N	563.907	5.723	50	40	KKGB	
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(SSc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1	100503421	PQVKBTXLXZNAQN-OKXLIINMSA-N	540.666	5.109	50	40	KKGB	
O=[N+]([O-])c1ccccc1SC[C@H](Br)[C@H](Br)CSc1ccccc1[N+](=O)[O-]	101051481	AFOPXBFBUHKWMU-TXEJJXNPSA-N	522.240	5.914	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1sc2cc(Cl)cc(Cl)c2c1Cl	102619776	AFHXIQSMOINOOU-XKJRVUDJSA-N	570.845	7.386	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccccc1F	102933314	GLZYHRHYRGDJBI-LZYBPNLTSA-N	542.317	5.335	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1	103846587	XSDSKSMCFPCORF-XYGWBWBKSA-N	540.461	6.504	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104699062	CKQVXBKWQGHKRU-MOQPFRFHSA-N	536.528	7.594	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(I)cc3)o2)cc1Br	112263813	AZQUBKFCVZDTDZ-BHGWPJFGSA-N	538.183	5.184	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)ccc3C)o2)cc1	150386652	PKZPUUVGNJNFBI-UHIZKJEFSA-N	647.968	6.337	50	40	KKGB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	150412413	MWLSNAGOXUCKST-IAEITGQUSA-N	652.128	8.914	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	408526595	FGRJVGHENGZZCC-LGJNPRDNSA-N	550.780	5.061	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552090	HEZPKCZSSARXMY-GIJQJNRQSA-N	603.300	6.945	50	40	KKGB	
N#C/C(=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408555354	XEPHQXRBDZQHBT-NVNXTCNLSA-N	535.214	6.863	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408570417	UUOSDDMQWBBKGT-KPGMTVGESA-N	603.593	7.317	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	408579934	LOXBXOYCQLXHNJ-VXLYETTFSA-N	606.254	6.723	50	40	KKGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl	408612998	YFSBFXNFSUJUKY-XODNFHPESA-N	535.225	5.101	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(I)cc1	408743394	SPPHVUPPGRVQIM-WQRHYEAKSA-N	544.776	6.078	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)ccc1I	408747871	VBLDLUGQKFDPQX-AMVVHIIESA-N	741.161	7.163	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1	408785604	XFTCKFUHXUZFPZ-BOPFTXTBSA-N	644.378	6.243	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	408789437	JFEDIWQKHHYAJH-GZTJUZNOSA-N	512.747	6.135	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(F)cc1	408789814	LZOGDLPGNDVHMM-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408790722	RDQKVPXPRSLEPQ-FRKPEAEDSA-N	564.636	7.129	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(Br)cc1	408791915	FFDRWRAPUKLYLJ-GIJQJNRQSA-N	590.699	7.307	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)c1	408793549	FSLNPYMUOPHQST-KEBDBYFISA-N	584.264	6.651	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408793876	GLDPLXIWKWOQMS-HYARGMPZSA-N	534.996	5.805	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1C	408795945	NCSSJTKDHNSTBB-QGMBQPNBSA-N	609.145	8.260	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408796396	NYIFLDCWSSAYFT-FRKPEAEDSA-N	662.138	8.428	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408800665	OHENHOFVGDKODY-HYARGMPZSA-N	557.444	7.053	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1	408816146	RCJDMWOPESDRNY-LFVJCYFKSA-N	506.558	6.068	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccccc1C#N	408817274	LCNDXOYTECTRJO-JAIQZWGSSA-N	520.358	5.983	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408831885	PQCWQFLCGVBANP-WKULSOCRSA-N	562.862	6.252	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408833835	VLIYGCZUEYSDCT-HNSNBQBZSA-N	592.117	5.890	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1Cl	408842786	KWXMKMCLQDRTLR-XJECJHNESA-N	617.558	8.520	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(I)cc1	408843726	MWKKXMXOHCZOQG-MWBNBJEGSA-N	709.009	8.553	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408849066	XVNIVWIGAAZCRL-HAPYPFFUSA-N	729.103	10.858	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Br)cc1	408850340	LUELYBHKXQVCRT-UVHMKAGCSA-N	550.222	6.092	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c2ccc(C(C)C)cc2)cc1	408855995	AHVXHKUXHKDOOB-KEIPNQJHSA-N	604.773	5.292	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC(=O)OC	408858306	YDQCZYQRPCMIPO-CAQPMQTCSA-N	590.474	5.930	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)c1cc2cc(Br)ccc2o1	408858873	UFOZHYGJVDZWKG-PPDIBHTLSA-N	546.190	6.440	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F	408862111	IGVDHCSIKVHFCT-OCSSWDANSA-N	539.032	5.232	50	40	KKGB	
Cc1cccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c1	408867764	NHHWSXCCNCJYNI-ZRGSRPPYSA-N	630.651	6.201	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1	408876581	MMFYMZYWOFEUEB-WKULSOCRSA-N	557.459	5.204	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408880667	GQKSZJJETBJRRX-KEIPNQJHSA-N	585.726	5.935	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	408880926	JFWORDXWAXAHSR-IBBHUPRXSA-N	584.016	5.253	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1	408889306	CGTCXTXVIGCBKK-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1	408889931	LFDIDBZSAUKCGG-XDHOZWIPSA-N	507.930	5.780	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1c(Br)cc(C)cc1Br	408893465	GGOTXOINCGZPIT-WUXMJOGZSA-N	621.949	6.989	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccccc1Br	408893974	PGRGLDNZNUYIHA-LICLKQGHSA-N	605.226	5.893	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1-n1cccc1	408898847	XXYYABLVAWWRBH-LQKURTRISA-N	553.254	6.345	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1	408948614	PQEVPGXTRKDJMI-NDEPHWFRSA-N	835.462	5.231	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccc(N(CC)CC)cc2OCc2ccc(Cl)cc2Cl)c(OC)c1	408951813	JDYDLUYFPGTPNL-GPNAAFTMSA-N	712.631	6.147	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OCC)c1)c1ccccc1	408980863	TYICNZMRBWRXBK-ZLZXEHKWSA-N	531.653	5.917	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408999448	LCVPSCHPOJJPBO-IPPBACCNSA-N	519.945	5.372	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1cc(Br)c(O)c(Br)c1	409015097	AJCSSNPNHIZXJU-LSHDLFTRSA-N	542.025	5.234	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1cc2cc(Br)cc(I)c2o1	409016586	DTLCLBZOLBPTGY-BHGWPJFGSA-N	613.047	6.117	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(Cl)cc1	409029609	BABWQEIOZKSCOF-IPHFVPNQSA-N	532.043	7.627	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCC#N	409031241	JOVRVLZQFAFUKF-MUFRIFMGSA-N	515.367	5.339	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)C(=O)Nc1ccccc1	409038582	ABRMMIOOSFICIA-LICLKQGHSA-N	530.191	6.475	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	409047743	MXYSYEAEXLUEPL-SRZZPIQSSA-N	554.282	7.262	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409048316	WEILUVYYUCYQHE-ODNPBWNPSA-N	634.117	8.611	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC(=O)Nc1ccccc1	409049153	VCULTQPCRTZHEM-LDADJPATSA-N	517.383	5.806	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1cccc(Cl)c1	409050216	SNZOHITWVRAHKD-KULFSUQXSA-N	696.454	9.365	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1	409056759	IFZHHWUFHJFLKV-KVSWJAHQSA-N	619.752	5.759	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(OC)cc2)c(OCc2ccc(I)cc2)c1	409063231	JCXJSWYXUYUBCM-OGLMXYFKSA-N	557.432	5.489	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409075016	WQQRUXBOUHHDHM-MHWRWJLKSA-N	629.838	6.833	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409112545	DWDHQHJKKJFCKI-UHFFFAOYSA-N	589.755	5.693	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Br)ccc3Br)o2)c1	409118817	OLBBGBQUAIYQAA-XNTDXEJSSA-N	500.190	6.634	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)c2cccc(Cl)c2)cc1	409120165	YJSZJBXCAOACOW-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	409176191	YLUWWNJZKRMPQM-VTNSRFBWSA-N	601.487	5.677	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nnc1-c1ccccc1	409189948	ODNCFKAHFYARQG-DICXZTSXSA-N	573.616	5.911	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Br)cc1	409199225	ADUSQOGEWXUMBH-OKCVXOCRSA-N	573.940	7.051	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)NCCCc1ccccc1	409223028	YPASSUKNWFWEJI-QRVIBDJDSA-N	673.292	6.002	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409226652	QIMADOVJFDOSFP-RKGALKQQSA-N	682.314	7.299	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CCc5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1	409227673	ZOKBARCHQSHRDW-HMNHZFEHSA-N	583.688	5.761	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)NCCCc1ccccc1	409243022	UMTFROHVLQEHOL-BKUYFWCQSA-N	591.276	6.833	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)n1	409243690	ZNRFXODDNDHZQB-NSKAYECMSA-N	598.748	6.093	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)cc1	409247946	FFGPPGKUXBSPSO-PPDIBHTLSA-N	579.676	5.955	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)ccc1OCc1ccccc1	409331463	DHQHEPHMWKCERR-HQDYHJHZSA-N	589.044	6.367	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)c1	409367617	GDPVPMJTGQNIPQ-KVSWJAHQSA-N	568.251	6.125	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	409373264	PNVFLDRWRGPMSE-ATZGPIRCSA-N	618.325	7.870	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409374377	NYOFBWHGFKIWLN-GRSHGNNSSA-N	533.382	6.584	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	409375714	OHLOFUYBXXIUBR-LGJNPRDNSA-N	611.221	5.037	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC	409384880	FIQXHCRBTIDGDG-MIDUAYCOSA-N	553.378	5.364	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387880	XULKZSLCJMNZOS-KBKYJPHKSA-N	728.262	6.270	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409396072	VZKIBEMCBIZLQE-UHFFFAOYSA-N	755.077	9.957	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397303	ILLQHTBCBWHGRK-UHFFFAOYSA-N	620.920	8.485	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccccc3C#N)o2)cc1	409400452	DETDWVQNFQRHOU-VHFSBPNMSA-N	668.504	7.151	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc2c(c1)OCO2	409401460	HCVVNUFWECCQKP-UHFFFAOYSA-N	593.636	6.346	50	40	KKGB	
CC[C@H](C)Oc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1OC	409402706	KPEBZPFODWTHFT-QFIPXVFZSA-N	515.610	6.216	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccccc1	409406017	VSNFFUFAQQETAV-QJOVZPHJSA-N	598.099	7.661	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1cccc(C(=O)O)c1	409406842	XOEWAPPILQJYSQ-VHFSBPNMSA-N	672.532	7.078	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/C(C)=C/c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1	1835589	HKPOGQSLTIIOHD-LMWIJNDMSA-N	532.069	6.284	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@H]2c1ccc(Br)s1	2187789	WXCNYJBUSDVALK-IBGZPJMESA-N	556.835	7.124	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2c[nH]c3ccccc23)n1-c1ccccc1	2738843	SHNYAPOUQCDBJJ-QPNGYQPBSA-N	544.084	5.953	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@H](c3ccc(F)cc3)Nc3c(Cl)cc(Cl)cc3[C@@H]2[C@@H]1Cl	8435382	CSMRJTCQLDHWLF-XVAAYUMESA-N	523.844	8.079	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	9187347	MMKDBPICMFRDIQ-SFQUDFHCSA-N	507.377	6.350	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	20207178	XJWCGSKTUIRELV-CVKSISIWSA-N	502.061	5.024	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)s1	59222166	BXHGATQMHNVMKI-FDAWAROLSA-N	535.629	5.524	50	40	KKGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1C	59646705	VXZKJXJPPYTQSO-DPNNOFEESA-N	555.520	6.487	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1	59651820	GQLFOHADNZHRPY-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC(=O)c1ccc(Br)cc1	97961789	BCPVHSMBLUZFAW-JFLMPSFJSA-N	560.242	5.522	50	40	KKGB	
COc1ccc(-c2nn(Cc3c(Cl)cccc3Cl)cc2/C=C(/C#N)C(=O)NCc2cccnc2)cc1OC	97965861	FVCGCOISWMXBHY-JAIQZWGSSA-N	548.430	5.541	50	40	KKGB	
O=C(c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	97983181	LDGVQJKEPUBGMJ-UHFFFAOYSA-N	732.804	10.536	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21	98007224	FCYLFRSLIVXJIB-MUUNZHRXSA-N	608.671	5.896	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C(C)N1	98048721	NBVUJAKCAATPMX-MUUNZHRXSA-N	588.085	5.938	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccccc1Cl	100042350	RJEMYHMVKDBDRQ-PPDIBHTLSA-N	552.208	5.513	50	40	KKGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Br)cc1)oc1ccccc12	100048091	DBUDNVPDJQTAJC-RWPZCVJISA-N	524.371	5.257	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)c2C)cc1	100081523	GONVZEWCLAYOCD-UZWMFBFFSA-N	542.705	5.872	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)nnc2-c2ccc(Cl)cc2)cc1	100137979	YAGKIBZWGXOMBN-APTWKGOFSA-N	568.102	6.718	50	40	KKGB	
COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1	100326859	QSGLDUHKWNSTGG-UVHMKAGCSA-N	518.404	5.016	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	100351119	YETKOUPIVGEYRX-GUBAARJWSA-N	620.775	6.879	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)ccc1OCc1ccccc1	100852147	CFRDSYPLWQRDOR-GKVNEZTPSA-N	619.791	7.370	50	40	KKGB	
O=c1[nH]c(SC[C@@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](Cl)c2ccccc2)nc2sc3c(c12)CCCC3	101096278	MQJHBAZFFKXSAD-IFMALSPDSA-N	544.123	7.005	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	101711026	FBXQLVCMUOTAAX-LQNQUEJISA-N	542.727	7.309	50	40	KKGB	
FC(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528934	KHDHMLFFLZUADC-UWTATZPHSA-N	541.995	6.481	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	103888855	APVPVNWBHNCYCX-QPEQYQDCSA-N	608.188	6.919	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC	104111128	HCDXVJXCQMESJZ-XMMPIXPASA-N	525.070	7.205	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Cl)c1OCc1ccc(Cl)cc1	112255546	WLAKVXXQRNKARO-KKMKTNMSSA-N	538.225	6.203	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](I)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C	123224111	RYGBTBAZCTXERG-KGCFQABDSA-N	514.576	7.882	50	40	KKGB	
Cl[C@H]1COc2cc(Br)c(Br)cc2OC[C@@H](Cl)S[C@H](Cl)COc2cc(Br)c(Br)cc2OC[C@@H](Cl)S1	150341650	CODOBWGRZBMPCE-LWYYNNOASA-N	845.906	9.692	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCC[C@@H](I)CC(F)(F)F	169795348	DJDAQVQYYWWBJI-PHIMTYICSA-N	544.099	7.229	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795356	CDKSTDXUTRBKJP-QWRGUYRKSA-N	744.127	9.770	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408544352	VOKUZJHNTPWXJM-IMRQLAEWSA-N	523.633	6.063	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408550337	CWPAYAFEYIEDIL-NNOOIMGWSA-N	579.189	7.100	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1Cl	408587715	TYMZOUODAPBZOO-IUXPMGMMSA-N	523.641	8.061	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc(Cl)c1OCc1ccccc1	408608810	PTXGCDSJJUTMMV-KRWDZBQOSA-N	544.833	5.186	50	40	KKGB	
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1	408681254	HMCCNPJHVRDFQE-YWALVYIISA-N	557.750	5.121	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408710530	ADHXYQDNIJHJTM-VFLNYLIXSA-N	537.827	6.406	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(C#N)cc1	408711911	QIKYSXYOVMQHRT-CCVNUDIWSA-N	559.791	5.558	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1	408727955	SYWDAEZIRYKGPV-MWLSYYOVSA-N	542.444	5.984	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408747429	NUSPNMLCTPHALT-PXNMLYILSA-N	547.192	6.789	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408751224	XWVQZWLFBNUADW-DBSPGSINSA-N	598.530	7.366	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OCc1ccccc1	408756205	YDBHGWCECZWDMN-JBIOKXMTSA-N	649.551	5.031	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I	408791414	XIDNZSDIJUPMSC-OVCLIPMQSA-N	525.184	5.615	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408791821	CZOCXFQGQVVXHQ-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1	408794902	KITSIDKIOHQJAT-YZSQISJMSA-N	539.031	7.442	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)c(OC)cc1Cl	408821816	KJIBDTLGNJSAIO-REZTVBANSA-N	639.273	6.748	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1	408826247	LBAPWFAEBGTUOC-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	408833665	UKMCZKVBNPVZNA-PCLIKHOPSA-N	554.002	7.260	50	40	KKGB	
O=C(O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408840005	ABVGKEGGBYCCKR-VPUKRXIYSA-N	664.763	6.959	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1	408848413	UQBNVOGSPIZLCK-ZMFRSBBQSA-N	524.327	5.455	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(F)cc1	408850911	GGYLAXVERQZVOJ-DBFSUHOCSA-N	590.243	6.839	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1CC=C	408854345	CVXZOSMBGCVRSN-MXAYSNPKSA-N	518.205	6.015	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(I)cc1	408856727	KUYTVIWSMHFWON-WKIKZPBSSA-N	560.775	6.042	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc2c(c1)OCO2	408857365	ULHAHSOAZYTNDB-APSNUPSMSA-N	623.230	6.460	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	408859109	STHLJBAFFMRTOD-KGENOOAVSA-N	515.382	7.175	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc(Br)c1OCc1ccc(Br)cc1	408862268	IHNUKZQBFHOAKG-DPWJMMOYSA-N	745.277	7.701	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(Br)cc2)cc1	408868469	OYBTVEKWGKUMMY-UHFFFAOYSA-N	506.466	5.169	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	408884522	USKLMIBHPKWZSR-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OS(=O)(=O)c1ccccc1	408885474	AMRMMYJALIAGAY-MHWRWJLKSA-N	653.838	5.565	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(I)c1OCc1cccc2ccccc12	408896210	QIHINCQHBSZKSN-WCMJOSRZSA-N	614.867	6.605	50	40	KKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)c([N+](=O)[O-])c1	408896926	OYYKNAQKIVGOGT-IZZDOVSWSA-N	503.254	5.624	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(C(=O)O)cc1	408904527	KXASBOFMADDOHD-VYYCAZPPSA-N	526.387	5.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(OC)cc1	408922083	DBUJKOBNZLWCFS-SFQUDFHCSA-N	547.416	5.714	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2I)c1	408922839	GSKFRJWUYKKYIF-RQZCQDPDSA-N	689.118	7.636	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OCc1ccccc1C	408922938	HTUVBOUYACDLHU-MZJWZYIUSA-N	640.259	5.946	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(I)cc2)c(OCC)c1	408939052	AULLSINLBHZUSS-GDLZYMKVSA-N	854.505	5.759	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408946914	MZSCGWXAWHZEPR-HKBQPEDESA-N	697.641	6.195	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	408947727	OCHDWFJWSQGISA-BHVANESWSA-N	704.252	7.350	50	40	KKGB	
Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c3ccccc32)cc1	408952328	NIEZOSDABYOFJW-KQWNVCNZSA-N	501.590	5.336	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408954612	RXKOPDAGHVYCBM-XKZIYDEJSA-N	544.405	5.473	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4cc(C)cc(C)c4)cc3[N+](=O)[O-])sc2c1	408991410	NVLMXXPPUKAXCW-XDHOZWIPSA-N	530.631	6.917	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N	408994444	GBJRGTTUVUMCRV-NMVVMVIASA-N	545.384	5.078	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2cccc(C)c2)cc1	409005709	KCCRDLFAXSRJBH-DOBYODTHSA-N	518.569	5.905	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(F)cccc1Cl	409006092	LUXMPQMUPJYDIO-IPBVOBEMSA-N	563.265	5.781	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccc(Br)cc1	409015730	DSGFEPMEDJZANX-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccc(C)cc1	409016002	TYIMYJXCWPVGNZ-XODNFHPESA-N	619.253	6.460	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2cccc(C)c2C)cc1	409027061	VVPIXOKAKJBECK-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	409027803	HPGJQWLPGXTXIE-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409033150	DZMCEKAQEISRSG-VTNSRFBWSA-N	584.057	7.458	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)cc(I)c1OCc1ccc(Br)cc1	409046812	MMVVPTCFEUYYJW-BRJLIKDPSA-N	581.204	5.111	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409056639	NDGOQKQNSFBFSJ-YBFXNURJSA-N	557.956	6.629	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409061211	XZVLJPJNLCCHCF-VULFUBBASA-N	566.930	5.166	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)cc(I)c1OCc1ccc2ccccc2c1	409084025	WFKQHWGIZPNGHL-AABVJFSESA-N	664.500	5.061	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)OCO3	409096389	KFFGJTIOZJJAOK-JOCHJYFZSA-N	574.200	5.877	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1cccc(Cl)c1	409104773	FKIMTNVPDWDQOT-HSZRJFAPSA-N	541.785	5.637	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccc(Br)cc2)C2=C1CC(C)(C)CC2=O	409124392	HDSJGXYMXAHSCV-RUZDIDTESA-N	536.470	5.411	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(Cl)cc1Cl	409142408	CXHKIXWLIBCUBA-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c(OCC)c2)cc1	409158218	NZVCVJYUYWNSHJ-VTNSRFBWSA-N	623.504	5.136	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(F)cc4)c(OCC)c3)cc2c1	409187431	QGVTWNQHJHGHCB-MNDYBZJGSA-N	602.400	6.317	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c2)c1	409224452	LODKKHNHGCTWSV-UHFFFAOYSA-N	562.376	5.286	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)c(C)c1	409249199	GTLANTVFPCDISN-XDHOZWIPSA-N	520.383	5.335	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409311266	FBVYVNSYRGXNLK-ACXHZZMFSA-N	572.445	5.747	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409322783	LBCUDFHPGSLLQS-ACXHZZMFSA-N	665.912	5.922	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409366426	RQDAHPCZQVNLRE-IPBVOBEMSA-N	708.107	5.939	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1cccc2ccccc12	409371121	GGJMTOFLXIKXSX-STBIYBPSSA-N	503.396	6.344	50	40	KKGB	
CCOc1ccccc1/C=N\NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1	409371374	IEBRNHCMQZVQFT-MUXKCCDJSA-N	599.334	5.496	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c(OC)c1	409383782	GZRBYZVTHYXQCM-LGJNPRDNSA-N	642.231	5.256	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(c1ccccc1)c1ccccc1	409393737	ZRRSKACHPZWMCJ-BJUCDSOZSA-N	741.194	8.064	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409394433	AHXONNCZJDHREO-UHFFFAOYSA-N	828.661	9.786	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409394569	CHNWYUATLMYQCF-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccccc1Cl	409395351	MODFEBQDAZWWOC-UHFFFAOYSA-N	622.906	8.387	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(Cl)ccc3OC)c(-c3ccccc3)c2c1	409395432	NLRCTGLUGQZGBW-UHFFFAOYSA-N	725.821	8.404	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(F)cc4c3-c3ccccc3)cc2OCC)cc1OCC	409396370	ODAMIWYZCSQSHS-UHFFFAOYSA-N	609.654	7.153	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)c1	409397510	KPEKNPOIMKZHJA-UHFFFAOYSA-N	541.966	6.619	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409399200	YHROJQSVVGUUQQ-UHFFFAOYSA-N	600.597	6.911	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3O[C@@H](C)C(=O)O)o2)cc1	409400521	DPALBFORNLNABD-KDMZMTIXSA-N	580.981	5.444	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(O)c(Br)c3)o2)cc1	409401518	HJWPLMPWGLINPQ-VYYCAZPPSA-N	508.372	5.498	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccccc1	1529548710	MJZMTMCUYYNUBD-HLRVFXRASA-N	763.452	5.518	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	1438111	DSBWHZTVPRFLEV-AREMUKBSSA-N	549.121	6.725	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1	1769549	DWOFXUKXDNLMTL-QGOAFFKASA-N	581.875	7.813	50	40	KKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CCCC2	1805820	RJFFRESHVOQCJE-GXDHUFHOSA-N	511.943	5.781	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1cccc(Oc2ccccc2)c1	1876690	SMWBBMUYAAFKAN-BIZUNTBRSA-N	566.708	6.361	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	2553736	WEWVJBQQKMKWSA-FYJGNVAPSA-N	564.892	7.274	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2605162	WJLCJQNVJBENLX-WCMJOSRZSA-N	552.531	7.089	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1	3226148	GNIUQDSPMATTBG-HNSNBQBZSA-N	565.699	6.342	50	40	KKGB	
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)c1C	3309441	YBHJYNJMVKAPCD-UHFFFAOYSA-N	555.034	5.958	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1	4196331	UKRTWLSMNUNROW-KCSSXMTESA-N	579.878	6.076	50	40	KKGB	
O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1ccc(CSc2nc3ccccc3[nH]2)cc1	12531665	NBXBBSLTRJCDQR-MZJWZYIUSA-N	519.055	6.473	50	40	KKGB	
O=C(COc1ccc2ccccc2c1)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	13098404	PXBMCFFLTOOKGK-VTNSRFBWSA-N	506.480	5.848	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2ccccc2)cc1	20059503	LRMWTKNLRHYASG-JBASAIQMSA-N	513.619	5.245	50	40	KKGB	
CC(/C=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)=C\c1ccccc1	30742562	ILFWUHPRGANDGS-VZMGIEQFSA-N	523.706	6.838	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccccc1Br	30742724	QNKRKIHCHFFQNS-NKVSQWTQSA-N	513.895	5.489	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N/N=C\c1cccc([N+](=O)[O-])c1	97951104	YJLIPTGBVYBNQH-CAQPMQTCSA-N	536.975	6.660	50	40	KKGB	
CCN(CC)c1ccc([C@@H]2N(/C(CCl)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1	97961130	PKRIWWFLUPLBBU-LQSGJKBQSA-N	603.210	5.181	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	98000149	ZNOBJBSRNRSMMB-LJAQVGFWSA-N	572.086	6.929	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(OC)c3)=C(C#N)[C@@H]2c2ccccc2)cc1	98048553	BZHFIOLUNDIAMJ-LJAQVGFWSA-N	582.682	5.578	50	40	KKGB	
C/C(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)=N\NC(=O)COc1ccc(Br)cc1	100059308	BFOFCSKAFZEAEY-KBKYJPHKSA-N	506.706	5.021	50	40	KKGB	
N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)NCc1ccccc1	100477917	CBLRYZUWQRXMIK-RRAHZORUSA-N	524.580	6.943	50	40	KKGB	
O=C(N/N=C\c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2)cc1)Nc1ccccc1	100536586	OZKLUQOFQLAQCL-PDJIOBJGSA-N	594.628	5.155	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1nn(-c2ccccc2)c(N)c1C#N	100543758	BETBGUXZXUXUBU-VCHYOVAHSA-N	565.258	7.039	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Br	100580422	HOXNVDVFMUABAV-ONNFQVAWSA-N	515.545	5.327	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(Cl)cc1Cl	100865846	AYADTMJMACQLHL-MIXAMLLLSA-N	524.477	6.490	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccccc2Br)C(=O)N1c1ccc(Br)cc1	100990589	KKUWBEAGQLJQED-GFPZRUSRSA-N	597.332	5.954	50	40	KKGB	
CC1(C)CC(=NNC(=O)Nc2ccc(Cc3ccc(NC(=O)NN=C4CC(C)(C)NC(C)(C)C4)cc3)cc2)CC(C)(C)N1	101674912	YYVLSZWEFRSCNJ-UHFFFAOYSA-N	588.801	6.114	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	102384373	AIMRBLPOQMDMQI-XIFFEERXSA-N	606.147	7.877	50	40	KKGB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1	103028823	RAGGHLVBROWXGW-UHFFFAOYSA-N	564.063	5.209	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccccc2F)cc1	103890209	NQGHHURPAVDMKY-JCMHNJIXSA-N	534.418	7.665	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)N=C2CCCC(O)=C2[C@H]1c1cccc(Cl)c1Cl	104023489	ZVMNGDVPPOXBML-MHZLTWQESA-N	576.505	8.427	50	40	KKGB	
CCC(P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161249	AVSWALKQPVFJPV-BRSBDYLESA-N	566.267	8.245	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1I)c1cccnc1	150350638	FZNJQZZLGXJYIX-OPEKNORGSA-N	629.046	5.194	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1	150481238	NDSSSFZFMFGDSH-BBUXEPKYSA-N	739.703	6.627	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795294	SPOCRDDUEFTIAV-KNVOCYPGSA-N	888.047	10.751	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)cc1	408537442	FECATLUGWHNECB-MYYYXRDXSA-N	585.056	7.069	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	408537476	FMUPSWOGKQOVPR-NLRVBDNBSA-N	572.583	7.808	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408544110	SANNQMMIYOVIEX-UWVJOHFNSA-N	536.769	5.797	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1	408551070	ASSAOCAPCGJIOC-YVLHZVERSA-N	514.796	6.518	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)c(C)c1	408552162	HRYMZPRVACHPNB-VCHYOVAHSA-N	573.274	6.936	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554115	ZNJAAJMVPROQTP-FDUMAKPYSA-N	786.479	8.564	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408554637	SKFRIKZNHOJPCB-OQLLNIDSSA-N	516.768	5.916	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1OCc1ccc2ccccc2c1	408567507	FJPOOOHWXNDXQR-UXHLAJHPSA-N	514.672	6.427	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	408570500	WAOVANMDGZTDDQ-VFLNYLIXSA-N	640.394	6.937	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1Cl	408591903	WEIULRUZNCWREC-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1	408612339	VBNMGBIVLMNTOA-WCMJOSRZSA-N	535.044	5.188	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408638378	CIYKQHZRMDRGMQ-MHORFTMASA-N	647.147	5.164	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408677605	SKSFOVLAYZPGQE-WCMJOSRZSA-N	591.333	7.098	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(I)cc1	408710848	POCXDBCHOGOZFD-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1-c1ccc(-c2ccccc2)cc1	408724413	JXCBOOFOPKWUSP-XPGZBYHPSA-N	562.673	7.858	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747296	LSVNFDXHXSHRGF-BOPFTXTBSA-N	685.097	6.783	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCc1ccc(Cl)cc1Cl	408747562	PPYBLRLVOUTEPW-XODNFHPESA-N	599.252	6.348	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408781174	AIMUBZZMVNUTNE-MFOYZWKCSA-N	567.352	6.229	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1	408787718	FIQUBSUYLPGVLQ-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408793084	CYIIITSMNPBIRU-YBFXNURJSA-N	555.812	6.324	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1C#N	408798063	UNIPBFHZIQEAKE-DJKKODMXSA-N	571.258	7.151	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(C)c(C)c1	408806928	CGOKNWLGEGRDFI-ZMOGYAJESA-N	580.466	7.048	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408824853	APSHDYOEJDRPDL-MWBNBJEGSA-N	701.039	6.661	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2cc(Cl)ccc2OC)cc1OC	408830514	NAOKKTHPOSQQQY-FABQOPTDSA-N	658.560	5.944	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1C#N	408842838	LCYGSWKYNIHSTQ-KULFSUQXSA-N	628.541	8.084	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	408862248	DSTKPFCKFBKVHE-GYOJBZGLSA-N	548.264	6.815	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408863620	PTTDMPODBHNRAJ-FABQOPTDSA-N	655.560	5.674	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	408886084	HXFZXLJTJVUYCZ-HMMYKYKNSA-N	536.531	6.480	50	40	KKGB	
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	408886415	GYHKGXJMBVHJAR-HZHRSRAPSA-N	500.520	7.600	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OCc1cccc2ccccc12	408888288	YQTHPYAUGGBRPF-CIAFOILYSA-N	594.836	7.231	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(=O)c1ccc(Cl)cc1	408889419	GNFRTLOCMSXSMH-XDHOZWIPSA-N	505.914	5.720	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1	408890678	XMUFCRIZRQTDSH-DHRITJCHSA-N	510.369	5.052	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OCc1ccccc1C	408921797	CBNZHXXTBBVWKJ-RGVLZGJSSA-N	618.753	8.005	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(OC)c1	408943123	HBBSAYLMFIMZAM-MGBGTMOVSA-N	638.746	5.312	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(C)c3)c(OCC)c2)c(OC)c1	408953528	LXKZGGLRZYWZHM-JRUUSQMTSA-N	709.594	5.464	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)c(OC)c1	408957298	UBAVGUREYLHANG-HVJLQFNCSA-N	856.306	6.124	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c(F)c1	408964174	BLUDMWPHKHQEJY-IPBVOBEMSA-N	568.173	5.952	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408970697	CBDBCEQYHLOZSM-YRFVQFNCSA-N	795.329	8.331	50	40	KKGB	
CCCCCOc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408971960	MYJPOWMMUZSPBG-SQDHZODUSA-N	566.526	6.020	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1C#N	408981335	AKERBZCJIPJWFH-FBHDLOMBSA-N	550.840	6.806	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1	408993115	UPNHWAFAGGIFCM-DEDYPNTBSA-N	612.092	7.807	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408995090	ISFDRTLUTGZRBV-VYVUJPJFSA-N	696.017	7.398	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccc(Cl)cc1Cl	409010838	LUZQCUHCXHCOCA-CCVNUDIWSA-N	559.302	5.684	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)cc1	409028382	MPOBEZMAIWZNFW-ZCTHSVRISA-N	532.641	5.141	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)c(C)c1	409072656	KEPPARDJLUBCEP-LICLKQGHSA-N	624.738	6.795	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409143150	ZIABLTSCNBHAKP-FQEVSTJZSA-N	564.661	6.259	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Br)c(C)c1	409169581	QYYGYAFFYVBCQS-VVEOGCPPSA-N	622.303	5.569	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(C)c4)c(OCC)c3)cc2c1	409186352	AUTOIYWISGTJLD-UHBFCERESA-N	506.986	6.535	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1	409194589	PVSFVHFXAWDEEQ-LUOAPIJWSA-N	577.837	6.020	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)c2)ccc1OC(C)=O	409224164	JEEQNSLUTJEPOL-UHFFFAOYSA-N	644.478	5.927	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccccc3)c2)ccc1OC(C)=O	409225764	OPYHMAKAXBVNGC-OZZBPKBESA-N	735.385	6.781	50	40	KKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)NCCCc1ccccc1	409242343	QZWDJUQUTFKQFU-ULJHMMPZSA-N	515.440	7.382	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1cccc(F)c1	409242981	XFLMNZZYPGPSLR-CTPANLQCSA-N	509.375	5.960	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	409269717	MAZGTLBMCSKVJO-OVCLIPMQSA-N	657.668	7.447	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	409317541	VEJYLNTUIJOPKM-LQNQUEJISA-N	524.017	5.617	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3CC)NC(=O)[C@H]2C(=O)OC)cc1Cl	409323687	PDCNWWDRDKQPLF-VXKWHMMOSA-N	655.398	6.135	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409337474	VISDHBUBACPOQP-FOHWUNMGSA-N	566.235	5.634	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409365031	PRQXSWRUPGNUFC-KVSWJAHQSA-N	537.241	5.906	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccccc1	409365279	QLISODNPDBSYEG-ZDLGFXPLSA-N	597.621	7.192	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(I)cc4)c(I)c3)[nH]c2c1	409371158	BHTLTAWSILUGRF-MFOYZWKCSA-N	743.124	7.328	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1ccccc1F	409371753	NDFWXQYHKCJGFM-BOPFTXTBSA-N	534.166	6.836	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)c3cccc(F)c3)cc2I)c1	409392837	NWUGUWXNXFBJRJ-OCKHKDLRSA-N	595.193	6.987	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)[nH]c12	409395198	KVZNSMDHLPBKIP-UHFFFAOYSA-N	553.372	6.045	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1	409395304	MBXQWZFLJTZDCD-UHFFFAOYSA-N	807.664	8.610	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c(-c3ccccc3)c2c1	409395985	UUUVDFLIPOXZQH-UHFFFAOYSA-N	556.416	6.790	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397740	NKORLHAVACPUBL-UHFFFAOYSA-N	698.344	8.128	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)o2)cc1	409400382	CPPFNBZATIBPBU-AEUUOICLSA-N	588.491	7.916	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4ccc(C(=O)O)cc4)c4ccccc34)o2)cc1	409400411	CVUKQRYWZGUPNG-CLHYIUPASA-N	600.675	7.040	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4F)c(I)c3)o2)cc1	409406860	XSUOQGASIXILOX-RODHXAHZSA-N	789.383	7.957	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc(Cl)cc2)cc1Br	1529548280	ZRUBAVRCUMJBCB-RZNGARSMSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1	1529549072	SJGMZOAUBFDXBA-LAXCASJBSA-N	627.550	5.457	50	40	KKGB	
Cc1ccccc1[C@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)N(C)[S@](=O)C(C)(C)C	1857795166	QNTFTQVQWIVMLY-BRDLVIKLSA-N	631.822	8.668	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CC(C)(C)C3)cc1O	1065019	WKVNXQWJESOJLP-JOCHJYFZSA-N	512.379	5.243	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667563	DCKAHFGZEYMSHQ-QHCPKHFHSA-N	501.652	5.744	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc4ccccc4c3)nnc2-c2ccc(C)cc2)cc1	9042880	CVNIIFGNLIQILO-YQYKVWLJSA-N	521.646	6.037	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	9259133	XOTWUOIXOZMBAG-PCLIKHOPSA-N	527.577	5.533	50	40	KKGB	
N#C/C(=C\c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N	16523703	OHHWIRHZWKLTBN-XSFVSMFZSA-N	508.507	6.412	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2)cc(Br)c1OCc1ccc(C)cc1	28217638	BCHPCCJQKKODFM-MZJWZYIUSA-N	513.457	5.729	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc(C)c1	59336247	MEDLTAQAGYZBAD-ZDLGFXPLSA-N	501.797	7.089	50	40	KKGB	
CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1	77273075	DGDTYGYVAGGUTB-ULIFNZDWSA-N	512.093	7.794	50	40	KKGB	in-vitro
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c(C)n1CCC(C)C	97980008	MSQDYZIQKPTYPM-JYXZFHPPSA-N	547.055	6.226	50	40	KKGB	
Cc1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccc(P(=Nc2ccccc2C)(c2ccccc2)c2ccccc2)n1C	97984859	QUBAFSYHSMZJJE-UHFFFAOYSA-N	659.754	9.260	50	40	KKGB	
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)COc1cc(C)c(Br)cc1Br	100030121	KEKPQFXCAMKALL-WYMPLXKRSA-N	531.632	5.073	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)c(OC)c1	100334169	BBGDCYFIDXVUMH-BIZUNTBRSA-N	578.090	5.825	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1F)c1cc2cc(Br)ccc2o1	100410486	HHHYTNYUBNOSFD-PPDIBHTLSA-N	546.190	6.440	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC(C)=O)c(OC)c3)nnc2-c2ccc(Cl)cc2)cc1	100852027	IJAUXRGIYMZYRU-OKCVXOCRSA-N	580.066	5.163	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NNC(=S)Nc1ccc(Cl)cc1	100974283	BQZBIZJCLPCKSJ-UHFFFAOYSA-N	556.138	5.089	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1	100990408	UGBRJCMTWCPRPX-OGCOBRASSA-N	522.457	6.045	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc(Br)cc1	102642164	SIDJPCKBJBRXPC-OCSSWDANSA-N	581.561	6.029	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cc(Br)c(O)c(Br)c2)CC(=O)N1	102808355	UEXADNMKDXRDTQ-AWEZNQCLSA-N	565.287	5.190	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709427	OPIICWJZSFEFSC-MOQPFRFHSA-N	548.108	6.816	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	105509663	NIWVYOXIRHRZMO-IPPBACCNSA-N	566.279	6.435	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	105586413	KZGZUNXZGVCKHA-HNSNBQBZSA-N	548.495	7.692	50	40	KKGB	
CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341224	LYSKMRWXTNNDEQ-RXMQYKEDSA-N	816.121	10.531	50	40	KKGB	
CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341713	GOPDWASBVUAPIY-OAHLLOKOSA-N	856.377	13.161	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1cc(Br)ccc1O	150420676	NWGQEHIWKTVNLF-ZLGJVAIHSA-N	626.894	5.775	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(C)cc2)cc1OC	150474565	XXFMRLKFGXYYIQ-KCSSXMTESA-N	639.572	5.528	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	150592829	OBFXPYIWMPBGEY-GATIEOLUSA-N	706.072	5.909	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	164733295	GUPARASDCSVRKD-UUASQNMZSA-N	625.100	7.372	50	40	KKGB	
CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC	169806531	VQIWEYGMCDFBSW-UHFFFAOYSA-N	668.310	7.535	50	40	KKGB	
CCOC(=O)[C@@H]1[C@H]2OC(=O)[C@@H](C(=O)[C@@H]2CN(CCCl)CCCl)[C@@H]1[C@@H]1CC=C(CC2=CC[C@H]([C@@H]3[C@H]4C(=O)O[C@@H]([C@H](CN(CCCl)CCCl)C4=O)[C@@H]3C(=O)OCC)CC2)CC1	263613188	YZPKFJWODMRSRW-BQUBJUPOSA-N	904.753	5.461	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3cc(I)cc(I)c3OCc3ccccc3)[nH]c2cc1C	408544667	WMQNIOPDEAEFPM-VXLYETTFSA-N	631.255	7.032	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408544818	XSDQBGXYXCNJRC-GRSHGNNSSA-N	556.312	5.549	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408545140	ZGIROZBENZPVRA-NHDPSOOVSA-N	537.399	6.553	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408567014	KANVDEOFADEDMZ-GRSHGNNSSA-N	577.251	8.023	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408642833	NZDJULJFOKANBL-OAHLLOKOSA-N	671.550	8.280	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)[C@H](Br)c3cccc([N+](=O)[O-])c3)cc2)cc1	408674216	YHZSHHHUQGEBQI-IAPPQJPRSA-N	587.426	6.700	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408689282	YBRPQXRICZKWPI-YZEAIEHJSA-N	646.119	5.237	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	408711984	UDWXKLPDBZNBIO-MWLSYYOVSA-N	501.410	6.063	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3cccc(Br)c3)cc2-c2ccc(-c3ccccc3)cc2)cc1	408724537	LQINIBPPUKBPKB-UZWMFBFFSA-N	535.445	7.041	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408726082	OVSJYCHTPOKFPI-NDENLUEZSA-N	583.382	6.031	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408729426	ZRWHCFXYPGKVHG-CCVNUDIWSA-N	536.253	6.426	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccccc1	408740225	APMQHTQMEKGTIT-YVLHZVERSA-N	557.198	6.244	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741768	NSWHQIMZAPNNHQ-BKATUZMVSA-N	705.450	9.679	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)ccc1I	408746208	CFOCQWCGXWDALH-WCMJOSRZSA-N	597.428	6.189	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3C#N)c(I)c2)c1	408746431	ZDJGWFAKZMWISC-JMIUGGIZSA-N	645.238	6.201	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408753635	JYXNWKYIXVHZNY-BOPFTXTBSA-N	606.292	5.842	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc(C(C)(C)C)c1O	408756116	XQSRMPQGBSRXSP-OCSSWDANSA-N	525.487	7.093	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(C)cc1	408787459	AJTQVIIEHHLKEB-WPWMEQJKSA-N	597.509	7.860	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408789794	LPTKSVFMEXTCGG-YBFXNURJSA-N	560.275	7.588	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)cc1	408791730	BPBAMJMQMYSFLO-WSDLNYQXSA-N	607.404	5.473	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc12	408792585	BBWZALAOFBKDBD-CIAFOILYSA-N	558.388	6.644	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Br)cc1	408792635	BQUJWCHSNROQGM-RQZCQDPDSA-N	532.221	6.889	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408792827	CLPGHKMWMBNKTD-PCLIKHOPSA-N	573.476	8.096	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1	408795423	VJEIFUMNDUQQOX-RGVLZGJSSA-N	565.376	5.067	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1C	408797932	UKNFVTCASCEFKI-VXLYETTFSA-N	679.252	6.546	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408801129	UBDJSLQIMAKLSH-RQZCQDPDSA-N	502.195	6.881	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)NCCc1ccccc1	408816605	UZBABOBDOOTWNX-HKOYGPOVSA-N	511.419	6.447	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OCc3ccc(Br)cc3)cc2)cc1	408824572	RDELEMMCFQZTAV-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1	408825713	FGWZAJJJZYIWSX-JCMHNJIXSA-N	580.493	6.832	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c2cccc(Cl)c2C)cc1	408828341	MIKXUHDQFLAXLP-QLQYKETESA-N	633.170	5.040	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408829488	OKPHSRJHTBRVEP-HZHRSRAPSA-N	547.413	7.836	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408836993	XNZJAOZXHYCBPL-OVVQPSECSA-N	623.934	8.959	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)cc1	408840839	CELLJRWLPOWDMW-VTNSRFBWSA-N	540.092	7.687	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1ccc(Cl)cc1	408877008	RYFAECUFLFILLO-MIAWKINXSA-N	566.867	6.199	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)o1	408885154	XIJNOEZQJPMNJZ-YSURURNPSA-N	620.612	5.794	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1	408886649	HVIGAIQLUGXXHM-WOJGMQOQSA-N	501.391	5.924	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408892247	ACYNMRIKBBBBSN-LHHJGKSTSA-N	660.533	8.205	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OC	408892837	CSRQSRBCGAYDCX-WUXMJOGZSA-N	606.052	5.688	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)ccc1Br	408903976	BYJKQZARJYZSNJ-BCHBDCPOSA-N	633.111	7.404	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408912727	RTELVZJLEDQEQD-FABQOPTDSA-N	675.350	6.962	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(I)c1	408944624	JDXCOKLAQWBSAL-MHZLTWQESA-N	781.442	5.657	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Br)cc1	408949468	QZGDAXHUGPIGLE-HKBQPEDESA-N	677.621	5.642	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2I)c1	408963106	ABEZBUMWBGSGFC-LGJNPRDNSA-N	555.328	5.597	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408964149	PJNTVUQSEUSKER-GRUJEIAESA-N	602.902	5.313	50	40	KKGB	
CC(C)Oc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1	408971481	GGNZPCVPQATRMY-VEVKORFRSA-N	542.463	5.426	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2I)c1	408983932	OOURESFUDBPRLR-JAIQZWGSSA-N	542.804	6.686	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1	408985106	VHHYEKYULWBUMA-WQRHYEAKSA-N	607.673	7.140	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408996704	ACEHHNWAAPOJOD-CHWQPNJWSA-N	762.464	6.510	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409001014	OLLJGIOUNVTHAS-DHDCSXOGSA-N	629.107	7.791	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1	409004475	XFLZCIQQWGKMBY-KCSSXMTESA-N	570.443	6.301	50	40	KKGB	
N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)o2)cc1	409017689	OJMAWJXUDFMMME-OPEKNORGSA-N	560.145	5.695	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)cc1	409026841	ZMUPDVBPGRLBDG-HERSFJEOSA-N	557.672	5.671	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409039233	CAIMDKHPVIQMRO-DEDYPNTBSA-N	625.419	5.040	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C	409081046	JJJOLYOGUXODBY-LZYBPNLTSA-N	639.222	8.093	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1	409081418	PZOZLUBTQMWKRV-NTEUORMPSA-N	525.772	6.099	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)c(Br)cc1OCc1ccccc1F	409085700	CTBZROYQQBVKSU-ZRGSRPPYSA-N	536.195	5.702	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C	409150621	CZNMJEUCHLVOOM-XAZZYMPDSA-N	599.457	5.018	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1	409158538	YHVYTEUDKPNUAR-OCSSWDANSA-N	572.887	6.339	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1ccc(Cl)cc1	409189924	NPZWBKCTPKEFSX-KBKYJPHKSA-N	540.614	6.347	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1C#N	409214076	XSPMFTCESDZOBN-IPPBACCNSA-N	605.885	6.036	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1	409219866	RBVWQNGKRRWAFU-UHFFFAOYSA-N	561.516	5.949	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(C)=O	409224804	MUQFMVZWAORDJD-UHFFFAOYSA-N	699.341	6.925	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c2)cc1	409226575	USILVTHHXATVMU-UHFFFAOYSA-N	556.416	5.993	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409234672	OVAFPYHQUAXVQV-QREGZJMFSA-N	621.302	7.360	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl	409255480	KVMRUNJFRQVTFT-CAOOACKPSA-N	605.670	7.163	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409263619	INACTDLFUORHCB-GRSHGNNSSA-N	524.404	6.182	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)cc1C	409271534	MGFIAHQLPPDQGU-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCc1cccc2ccccc12	409320075	BMZLAZKSIQKINM-LJUMEUDFSA-N	610.448	6.203	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409321058	RMSWWFLMRCEUTI-RTWAWAEBSA-N	582.893	5.464	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)ccc1OC	409325892	CIQIKXVSMHCSNY-MUXKCCDJSA-N	531.378	5.347	50	40	KKGB	
O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1	409334927	YEQOSBIMIOTWTN-UHFFFAOYSA-N	552.700	5.464	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409371780	OFONXKRPJKAJAS-GRSHGNNSSA-N	569.355	5.598	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)cc1	409377338	GNSHFYVXHMYENM-HQDYHJHZSA-N	612.111	6.997	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Cl)c1	409378438	PDSJBOQZYLLBSW-YBEGLDIGSA-N	528.765	5.805	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409390631	GITFIAOOSATTRJ-IDUWFGFVSA-N	507.186	7.547	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccccc1	409394442	ALGDHWWYXPTWPX-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccccc1	409395233	LIKHNQAENLIMDQ-UHFFFAOYSA-N	777.638	8.601	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409395274	LVEGWCZYVKZUOM-UHFFFAOYSA-N	642.307	7.215	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccccc1Cl	409395709	QVRKCSWOCOJHLJ-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409396692	AEHYUOVHWWVJOZ-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCC(=O)Nc3cccc(F)c3)o2)cc1	409405699	URZCGIKLFAEPOA-RODHXAHZSA-N	704.509	6.857	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCC(=O)Nc3ccc(Cl)cc3)o2)cc1	409407205	ZBNMZVJTLSPPCF-RODHXAHZSA-N	720.964	7.372	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1	1529546642	GFTATSQJQCOBBL-VUSQDURTSA-N	696.440	6.764	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(OCC)c1	1529547631	MNQGZELOJIHUBG-GQNRCZHFSA-N	652.773	5.703	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	729016	NJZIJHLUOFPKBS-RUZDIDTESA-N	502.571	5.434	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	1888160	FTQZQSYQRDEREN-YDYXIROLSA-N	508.430	6.367	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	2202371	WEBQPCRPTGEMBS-RUZDIDTESA-N	530.049	6.108	50	40	KKGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1C	2304033	ALRUBJLFWUFSBA-PCLIKHOPSA-N	504.011	6.238	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(=O)OCCOC)c1C	2605728	BHXZFLJTSFFNHO-LGMDPLHJSA-N	565.629	5.243	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c(OC)c1	9122278	SCJUATYQWTYOIL-LQKURTRISA-N	523.659	5.027	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	9194322	WXTBHZADHSJOJD-IQFKKHSISA-N	520.265	6.067	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	11024236	PLNURRIDZIMGID-RUZDIDTESA-N	594.922	6.204	50	40	KKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](OC(C)=O)[C@H](Br)[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C	13409129	JGVYFYLJHISGAE-JMUHVKQWSA-N	511.541	6.540	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N\NC(=O)c1cccs1)c1ccc(Br)cc1	15938520	GRYLYXBSSFBFSG-JJFYIABZSA-N	508.191	5.256	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	20760375	JIUGWXCAMSGWJL-XODNFHPESA-N	515.238	6.831	50	40	KKGB	
Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NNC(=S)N[C@@H](C)c4ccccc4)cc3N2)cc1C	22840952	MFMMVYFJDMMCDN-SCWSEQNSSA-N	516.593	5.030	50	40	KKGB	
O=C(NCCSSCCNC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1	33355118	XGCCSOIZZYGXOE-UHFFFAOYSA-N	528.314	6.625	50	40	KKGB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1	96398834	KSDDLFDYTCHPQL-LCYFTJDESA-N	512.891	6.713	50	40	KKGB	
C/C(=N\NC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1	97972261	AAPXZCDELMFYMB-HASSKWOGSA-N	633.979	7.336	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br	98001711	LLBXEIPTUDMWEA-KVSWJAHQSA-N	639.138	6.339	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C(C#N)[C@@H]2c2ccco2)cc1	98048632	CBGIFZZJEQABPR-AREMUKBSSA-N	566.605	6.567	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1	100118679	PHTSNETZYABRRF-UXHLAJHPSA-N	579.520	5.587	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1cc(Cl)ccc1Cl	100120332	HQGJXXNYVGYVPQ-QXUDOOCXSA-N	560.529	6.487	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1ccccc1	100326015	RIOQCDYYDWZQPB-ROTLSHHCSA-N	534.204	5.269	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc(Br)c1O	100858972	BGKBGIOYIMPMQO-MZJWZYIUSA-N	558.502	5.478	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OCc1ccccc1Cl	100955896	JKMQKFIIPIQUMG-GATIEOLUSA-N	534.750	5.068	50	40	KKGB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)CSc3nc4ccccc4s3)C2=O)cc1	101006751	NQNMHRHQPHZSML-QNGOZBTKSA-N	586.786	5.006	50	40	KKGB	
N#C/C(C(=O)COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc12)=C1\Nc2ccccc2S1	102924207	LXKJWXQOKCYYPE-QOMWVZHYSA-N	529.524	6.182	50	40	KKGB	
CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528388	IRSDMNZIPGHHFT-ZDUSSCGKSA-N	528.281	8.569	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1	103897543	PCPMENIVCNIILS-HWLOXFRGSA-N	619.743	6.742	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103899512	NYFMYUZFYBHFIC-KKMKTNMSSA-N	554.293	6.586	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N)cc(I)c1OCc1cccc2ccccc12	112246786	MSZMEIQIMNOULW-WKULSOCRSA-N	551.384	5.378	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	112254307	WIFDYXLVAIGFJK-MZJWZYIUSA-N	609.258	5.343	50	40	KKGB	
CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341520	MMTLEFYJOUMOHF-LBPRGKRZSA-N	664.275	10.085	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	150385596	RIIIFZQRWQXCIO-PTEHHBOZSA-N	657.929	7.419	50	40	KKGB	
N#C/C(C(=O)NCCNC(=O)[C@H](C#N)C[C@H]1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1	150449364	VVUXDMIIZAYDGC-NFMJAQFOSA-N	809.801	6.899	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	216042632	QJIQNOGMMRXONE-DBFSUHOCSA-N	550.280	6.653	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccc([N+](=O)[O-])cc1)N2	245231526	FEUWOSJCNTXMPH-NCIBMYPZSA-N	561.041	5.189	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(Br)cc1	408542374	IQLAVUJFMZEQAG-NVMNQCDNSA-N	541.785	5.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552047	NOLJNIWOKZBITF-VCHYOVAHSA-N	603.300	7.026	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1cccc2ccccc12	408567054	COAOZSTYTROZAV-MTJSOVHGSA-N	542.408	7.660	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1C	408568050	RWOQQYUCNDGSGT-XODNFHPESA-N	658.705	6.438	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCc1ccc(Br)cc1	408710869	RIZVSHLHHBNGOJ-UVHMKAGCSA-N	597.222	5.934	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c1	408745411	RUNPTPFHWUDNKR-IUXPMGMMSA-N	642.118	7.794	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747365	MWOIUTGTWKTWKS-BOPFTXTBSA-N	593.646	6.832	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)ccc1I	408747616	QKUITBTWDLTKDJ-DPNNOFEESA-N	607.536	6.939	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2cc(Cl)ccc2C)cc1	408774059	OBSLAHYUPHIAFP-BIZUNTBRSA-N	576.074	5.522	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)cc2Br)cc1	408774935	DORQGELSFIDSJM-XKZIYDEJSA-N	505.412	6.669	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)c2ccc(C)cc2)cc1	408781259	BSAVRDIXDIRVBF-NLRVBDNBSA-N	502.061	5.106	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1cccc(F)c1	408788307	JMSHIEOKIFFWHD-ZVHZXABRSA-N	634.445	7.143	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1	408788627	DXZMOVANIXREAX-PXLXIMEGSA-N	507.417	7.245	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408792613	BGHLEIHSFKETBP-CAOOACKPSA-N	531.779	6.478	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408797996	HOQIJJCFMRCWGV-HMMYKYKNSA-N	562.261	7.489	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1C#N	408815903	VVJFDUQWWMNFHL-FMCGGJTJSA-N	546.421	5.530	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1C	408827265	CPFIYRMDMSPWAJ-ULJHMMPZSA-N	560.075	6.487	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1	408827607	FHTXVWNDOTVNOW-FNTLCPBMSA-N	714.866	5.637	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408828235	LHZFUCQNJMQFSA-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	408845031	QBIBCVOEQSEDCW-FABQOPTDSA-N	643.077	7.097	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)c1	408848966	TWVHLXILSDYANB-QJOVZPHJSA-N	612.955	8.520	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)NCC(C)C)o2)cc1	408849252	YRDUPROKJNQHBH-HMAPJEAMSA-N	526.058	5.312	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408855177	CZZNMRGPUOMVLE-KWQVAVEISA-N	677.426	9.264	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408865584	BINHDLVJSFFSAE-CIAFOILYSA-N	570.858	7.097	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Br)c(Br)c1	408866081	FOJQZJAHZJERQN-FYJGNVAPSA-N	524.256	6.910	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1	408875006	HIGQVPPPVVXZRC-PPOKSSTKSA-N	563.679	6.073	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(C)c(C)c2)cc1	408876718	QJEDJFPHPABHJA-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1Cc1ccccc1Cl	408883558	QFHXXFHJRBSZCS-WOJGMQOQSA-N	558.803	6.185	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(I)cc1	408883966	XJIAKPAVNRPBLY-GXDHUFHOSA-N	509.141	5.164	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	408890352	RTAXVORYBWOTNS-LUOAPIJWSA-N	520.825	6.609	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OCc1ccc(C)cc1	408892440	ZIFCMPWIDPFYIG-GIJQJNRQSA-N	593.248	7.040	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1	408942102	FQADKADXPKMUSD-MHZLTWQESA-N	627.550	5.457	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408973879	WCPDGMXJDGFSCO-OUQXRLOJSA-N	615.352	5.778	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I	408982046	FJFHVISUPHTCNE-MLPAPPSSSA-N	592.602	5.802	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408990962	PFBZUWGIGDGXPU-UUYOSTAYSA-N	565.851	6.962	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409005650	GCBNCAVOGILSTO-OJYCWLPVSA-N	596.684	6.243	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCC	409019309	IOXURSUKEQEMDF-YSURURNPSA-N	636.078	6.124	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2F)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409030031	BRQGDVWADHYSGX-KCSSXMTESA-N	522.605	7.036	50	40	KKGB	
COc1ccc(-c2cc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)cc4Cl)c4ccc(C)cc34)c3ccccc3n2)cc1	409035962	KSGBDDRTKIXGNX-GZOMZLSJSA-N	607.541	8.601	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1	409059284	VXIJKNIDGRANEN-CXUHLZMHSA-N	591.643	6.898	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12	409066299	HYOLOMDQEICYTP-AMVVHIIESA-N	560.434	5.333	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409088057	DUMBFUNZONHRDC-OQLLNIDSSA-N	569.324	5.708	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc4ccccc34)c(OC)c2)C2=C1CC(C)(C)CC2=O	409127224	QJLOBNUQIARSAA-PMERELPUSA-N	537.660	5.810	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccc(C(=O)O)cc4)cc3Br)cc2c1	409184781	NNQHDMGPPJMUOP-NUJZUDFISA-N	567.392	5.644	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409186159	XVCSOOXGVHBVLL-IZYHBKOJSA-N	719.485	7.813	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(F)cc4)c(I)c3)cc2c1	409187223	NOFFMAUVORCRFU-DBFSUHOCSA-N	684.243	6.523	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409222557	DYKXOXSQYNDYEH-HLFVJTJWSA-N	508.188	6.683	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Br)cc1	409243726	ZWMYGMSTSPFNQH-WKIKZPBSSA-N	505.771	5.522	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409254128	HVIBOIQEHGPFPD-WSDLNYQXSA-N	518.013	6.145	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409258162	RTABAVAYESJUQB-VHFSBPNMSA-N	752.034	7.992	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cc(C)ccc2C)cc1	409267882	PNKRCOWQNXKDAB-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1OC	409312028	IVXCSEBVXSBMBK-UHBFCERESA-N	512.965	5.794	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409318477	YHTLLGRKBSEYNB-MXAYSNPKSA-N	514.878	5.120	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@H]1c1cccc(Br)c1	409323894	QBKOITDFMJBDFB-MOPGFXCFSA-N	602.816	5.231	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1OC	409334524	SMJPNJWPKWRTFH-NUJZUDFISA-N	503.357	6.049	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br	409337761	UVOOBBVEUOPVAZ-AUWJEWJLSA-N	508.597	5.731	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1I	409361734	HVXURJDELMKEJS-RZNTYIFUSA-N	559.141	5.476	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	409369649	DLUGFUPKSQRKQU-UDWIEESQSA-N	519.985	5.537	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(I)c1OCc1cccc2ccccc12	409371966	KLQWGZFVDVKMQH-HYARGMPZSA-N	552.412	5.951	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1	409373232	PBWZCYQGHKXBLC-MXAYSNPKSA-N	641.203	5.076	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)cc(OC)c1OC	409394504	BFYKUUNSZYGUGZ-UHFFFAOYSA-N	567.573	5.983	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409394532	BTABYSIMQULZSX-UHFFFAOYSA-N	726.765	7.913	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)[nH]c12	409395298	MAVRCSCKRHNPLC-UHFFFAOYSA-N	676.752	7.868	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)[nH]c12	409395633	QCCPNQRDBPCZEG-UHFFFAOYSA-N	646.925	7.560	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409396255	XIOJMLVQNBVZMT-UHFFFAOYSA-N	624.388	7.738	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3Cl)c2c1	409396390	YCFREDJGQRHRIV-UHFFFAOYSA-N	706.977	7.658	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397092	GBKUKSZCRNJMTB-UHFFFAOYSA-N	602.090	8.332	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409397384	JGFHXKTWPNNMFL-UHFFFAOYSA-N	582.056	7.105	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397719	NDWJWJFSAVHGGI-UHFFFAOYSA-N	563.013	6.660	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409398199	RRQIPXBJPMTNAI-UHFFFAOYSA-N	527.964	6.381	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409399138	XXYJUODCONXZAW-UHFFFAOYSA-N	643.481	7.130	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1	1529547827	PPBZJNUMDPQDQC-MKEMXLLOSA-N	889.348	6.122	50	40	KKGB	
COc1c(C(C)(C)C)cc([C@H](N[S@](=O)C(C)(C)C)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)cc1C(C)(C)C	1857794970	BCSWMDYGGCPTPC-FAMOVDSYSA-N	746.010	10.621	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1	1790514	FXZQDSNSAJZSRG-OGCOBRASSA-N	522.457	5.779	50	40	KKGB	
O=C(N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)[C@@H]1CC1(c1ccccc1)c1ccccc1	3081143	JFFRZOFTFUGVLY-NEDSSLFVSA-N	522.517	5.752	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1OCc1ccc(Br)cc1	6166629	JJOXXEVGNARHOS-VWJSQJICSA-N	603.498	5.625	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC3=C2C(=O)CC(C)(C)C3)cc1	9089553	RHGUIGAZVAGAQX-XMMPIXPASA-N	508.043	5.786	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccnc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9763764	LQYUNKLOGZHLQC-NDZAJKAJSA-N	514.655	5.268	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)nnc2-c2ccncc2)cc1	16804994	AEYCPEXSHLXRBO-ZCTHSVRISA-N	520.618	5.672	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3cccc(Cl)c3)c2C)cc1C	20243668	SODCSCOICIKHFL-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccccc1O	30759643	BUQMGZIHGHPEGJ-MSXFZWOLSA-N	504.178	5.260	50	40	KKGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)c1C	59211808	BHVIWWAHHBOXQO-QPJQQBGISA-N	549.057	5.134	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(Cl)cc2)cc1	59886321	CRUUZLMJQHCAKE-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccc(F)c1	60028463	DMMUMYSOJWSPPC-XUEBZCJWSA-N	580.616	5.041	50	40	KKGB	
O=C(CCCCCCCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccc(-c2ccccc2)cc1	97940322	STDHHHUXGSKTTG-UHFFFAOYSA-N	636.749	5.504	50	40	KKGB	
CCCOc1ccc(C(=O)[C@@H](Br)CC[C@H](Br)C(=O)c2ccc(OCCC)cc2)cc1	97954241	JHCMLWIFIGOOJP-VXKWHMMOSA-N	540.292	6.637	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCCOc1ccc(C2CCCCC2)cc1	97957891	SMUWDBKEEGCFOL-RUMWWMSVSA-N	565.508	7.117	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)ccc1OC(=O)c1ccc(Cl)cc1Cl	97964144	QGFIJWACOYJVQJ-CKTVZYJVSA-N	557.430	5.809	50	40	KKGB	
Cc1cccc(C(=O)N[C@@H](C(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(C)C)c1	97972282	UTCSSTMFUMIOKK-WKIBAXNRSA-N	535.475	6.210	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(CC)cc3)=C(C)N2)cc1	98048712	BVTLIEXNTFZQKJ-NDEPHWFRSA-N	570.671	5.725	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1	100032603	YPZUPCBNASXKSR-IPPBACCNSA-N	534.827	6.103	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125222	OANZLDFKBQYHNP-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1cccc2ccccc12	100858720	IONVFKMIPIMRHD-NDZAJKAJSA-N	556.489	6.483	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(-c2ccccc2)cc1	100892172	GZNOJUZLMAWMDK-PKAZHMFMSA-N	525.124	6.783	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OCc1ccc(Cl)cc1Cl	102141113	DTUNASXZEVUVPG-BOPFTXTBSA-N	521.322	7.145	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1C	102933265	GBDQIPXQGRFLAH-GIJQJNRQSA-N	585.354	5.347	50	40	KKGB	
CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528431	KCTZYWGNLHRKIL-AWEZNQCLSA-N	542.308	8.959	50	40	KKGB	
FC(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528797	PFAGPLPEUQCIGL-UWTATZPHSA-N	541.995	6.481	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccc(-c2csc(-c3ccccc3)n2)c(Cl)c1	104094726	WMGKVVOOKBZTNM-LJUMEUDFSA-N	528.936	8.474	50	40	KKGB	
O=C(O[C@](CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1)c1ccccc1	104106144	UDZGJDISDIQBBV-RWYGWLOXSA-N	606.702	7.738	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1	104820974	MJMNVIVFAIUPAV-JVWAILMASA-N	524.857	5.691	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	112264631	CTCUZGSWMKPGKU-VFLNYLIXSA-N	597.280	6.495	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)=C1/S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1	150439085	MRRVKCFOHXPGGP-IEQIIXMPSA-N	625.097	7.471	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(C)cc2)cc1OC	150474417	GSZHKSLTLHLMSH-KCSSXMTESA-N	639.572	5.528	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	150490503	OHLCKNRROGLCED-KPGMTVGESA-N	644.537	5.972	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(Br)c2)cc1	408538143	JUKBGYWWHPSADO-QFEZKATASA-N	706.387	7.710	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1OC	408539089	SOYHJDAPYWZOCH-RHANQZHGSA-N	558.542	7.393	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)ccc1OCc1ccccc1	408541433	ZMZVATHKDQDWFU-CFRMEGHHSA-N	607.921	8.749	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(C(=O)O)cc1	408541723	HJYCSGRIODELIA-LSCVHKIXSA-N	558.182	6.461	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)c3ccc4ccccc4c3)cc2I)cc1	408549220	RAVZZIALZCDTNK-MSXFZWOLSA-N	627.263	8.001	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1	408599432	UUFONKNEVWIAJU-VCHYOVAHSA-N	526.843	7.223	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408649101	XLBILLSECYNSDT-RDGPPVDQSA-N	661.572	5.265	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408660148	WIXSGKRZULJALQ-WGXFHILCSA-N	793.690	6.340	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2cc(Cl)ccc2OC)cc1OC	408732724	XWOVXALPOBKPOP-UHFFFAOYSA-N	594.174	6.338	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408733834	AXAMCNWTYPIONB-FYJGNVAPSA-N	517.810	7.380	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	408741643	RHYOVHLFBZKYGG-OKCVXOCRSA-N	532.984	6.007	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1F	408742126	NETYAIGQDDKSPV-WQRHYEAKSA-N	528.321	5.564	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408743836	VQRGCPHDGYMCOI-ODLFYWEKSA-N	507.340	5.281	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408759335	CICSOFSMQKLRAR-DEDYPNTBSA-N	602.450	5.620	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1cccc(Cl)c1	408761024	GPAUAPPYINIHEI-ULPWCQAASA-N	590.703	6.350	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2I)c1	408787800	GMJRVKRJYQWNAL-GIJQJNRQSA-N	607.673	7.140	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(I)cc3)c(OCC)c2)cc1	408789810	LWLWYLJISMCDSJ-DEDYPNTBSA-N	694.307	6.818	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1cccc2ccccc12	408791405	XEYUIFLYBMTVBW-ZVHZXABRSA-N	541.445	7.352	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2I)c1	408792215	JQHKDYQHEPHSKZ-LPYMAVHISA-N	522.386	6.341	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408794368	IDIMQWONJGIDSE-FRKPEAEDSA-N	615.138	8.586	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408795266	LIKFWVBJYOUTRY-ZTKZIYFRSA-N	579.096	8.171	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798943	XPVGSIHVIHDPTE-CXUHLZMHSA-N	520.185	7.020	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408817569	XXWXLWGSMFDHMX-DKOFFMRCSA-N	535.648	5.615	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408836734	UVODWUGVHXXBTR-WSDLNYQXSA-N	717.241	9.231	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5cccc([N+](=O)[O-])c5)c(I)c4)cc3)cs2)cc1	408838865	JLTWSVQKFMNNRA-AABVJFSESA-N	815.431	8.322	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	408841388	IQPIBEZDSPHEKE-RVDKCFQWSA-N	705.327	8.089	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842435	KDFBLCHPERVWMZ-PTEHHBOZSA-N	625.940	8.996	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408842901	LSBFQRNWRPBJRM-YSYOEVFLSA-N	733.611	8.965	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2ccc(Br)cc2)cc1	408843203	RXOKRHOLQYDLMS-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408845484	FUALDOXJBVPVQG-FZSDHLTPSA-N	614.145	9.001	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(I)cc1	408855513	FXWVIHGDQCDJCO-FDVSRXAVSA-N	615.265	6.871	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1Cc1ccccc1Cl	408867279	KDXMQBKKAJJGSK-UDWIEESQSA-N	556.831	6.788	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)c(OC)c1	408869442	RVIPDUFYRNUHBV-KEBDBYFISA-N	555.400	5.416	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1Cc1cc(C)cc(C)c1	408872997	QOCZUZGMYKEEQV-RGVLZGJSSA-N	509.831	6.864	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3Br)c(OC)c2)cc1	408879762	FIYDHMFNNMALQE-WOJGMQOQSA-N	511.803	6.256	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Br)c2)cc1	408888506	WGSHDJUQUXQJPI-CJLVFECKSA-N	569.411	6.544	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(Cl)cc1Cl	408889063	BIZSRYYJADKJBF-VCHYOVAHSA-N	593.248	7.121	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OCc1ccc(Cl)cc1	408894821	JCWZYLOLYNPRGM-RQZCQDPDSA-N	625.144	7.960	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1	408943207	HGMRAZWQYJNUPK-MUUNZHRXSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2cccc(F)c2)cc1Br	408943495	HQADSQLMRYMGRS-LJAQVGFWSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)c(OC)c1	408957162	SNTAKXXNYVLFHZ-QGOGVWFISA-N	700.192	6.055	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc2ccccc12	408963053	LZCAIYFKVOTZAB-VWJSQJICSA-N	557.366	6.973	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1	408969721	SKRJGOZODKXVHR-KTOPISSASA-N	746.429	6.831	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	409001944	RCUNOUXHLQURNP-LUOAPIJWSA-N	735.110	5.708	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	409010227	BLEVSCLDAVPJKL-BQBBODNFSA-N	588.491	5.804	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409010550	BVNOECBVUADFLD-NXHIWYDXSA-N	585.315	7.009	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OCc1ccccc1	409011224	MXQKCJXXMUUWAS-UVHMKAGCSA-N	605.226	6.151	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCc1ccc(I)cc1	409022278	LVYRLLZICYRXLR-OHUYPAJKSA-N	621.475	6.075	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1	409035057	OSBXHDONTHAPTB-ZXSNDDASSA-N	542.595	6.881	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409035997	RCOOEOPWIOYFKJ-SAEPALGJSA-N	607.110	8.842	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409046714	LOZMUAMYVVIDAH-LZYBPNLTSA-N	570.192	7.899	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1	409060431	ZXHTXOVUGOHTHI-VCHYOVAHSA-N	515.780	6.558	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409075281	QKRFTANRCLRXQZ-LFIBNONCSA-N	643.286	6.310	50	40	KKGB	
COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c(=O)c1C#N	409077070	CSBKMBYLWQXVAI-RPUDKEGQSA-N	825.239	6.029	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl	409085030	YPHGNURELDGRDA-NTEUORMPSA-N	566.717	7.367	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409091871	SUCWPUITVDHWFN-XDHOZWIPSA-N	582.491	6.987	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409158780	XUWYKJJXUUGWEW-VPUKRXIYSA-N	612.239	5.010	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OCC)c2)cc1	409162370	DFYCPYDAKGWPRI-HNSNBQBZSA-N	574.678	5.296	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3cccc4ccccc34)cc2c1	409186839	IMESGPZVOSOFIA-LJUMEUDFSA-N	543.417	7.090	50	40	KKGB	
COc1cccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1OCc1ccc(C(=O)O)cc1	409187454	QNAHPBNCTHOXRO-MNBJERMJSA-N	510.546	5.169	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	409223162	FGXHNLJXGLHSPN-QGOAFFKASA-N	510.377	5.955	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccco2)cc1	409226669	QTMNFXNGXODICI-MBTHVWNTSA-N	577.347	5.186	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1	409251056	OBJYCJNNFPZFPH-DEDYPNTBSA-N	611.436	5.570	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409257384	QNOUWTZCODQWCH-MUXKCCDJSA-N	571.415	5.006	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)ccc1OCc1ccccc1	409309216	CZUVIIFMYZCEGN-FZPRHHONSA-N	701.355	6.993	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(F)c2)ccc1OCc1ccccc1	409319581	ISXRQGBCAXGRQU-OHUYPAJKSA-N	532.999	6.800	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OCC	409321103	GQJJQNCLYKZSSL-MWLSYYOVSA-N	539.972	5.563	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	409330587	BFSUKANRUHIPST-COEJQBHMSA-N	530.602	5.196	50	40	KKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(I)cc1	409367511	CNCVGJAROGOYSK-UYRXBGFRSA-N	516.176	6.697	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409371407	ILQCFNFZNSEKAY-MFOYZWKCSA-N	521.213	7.937	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccco1	409373557	VRBSWASXYLPFKU-LSHDLFTRSA-N	523.137	5.056	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(Br)cc1OCc1ccccc1Cl	409392838	SJLCVSIYJGDLJD-ZDLGFXPLSA-N	538.829	7.029	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409394620	CWIQZMWKQJMQSP-UHFFFAOYSA-N	719.739	9.015	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)cc1OCC	409395699	QTSRHTZJERAKMD-UHFFFAOYSA-N	640.534	7.686	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409396717	AJXXCMHSXWJDIC-UHFFFAOYSA-N	552.512	6.708	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1cccc(C)c1	409400581	DRCVDQJLGDFACE-CLHYIUPASA-N	656.577	8.079	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(C(=O)O)cc1	409402055	VCBFXEXNYKOVMI-UHFFFAOYSA-N	593.636	6.316	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409407437	ZTOYHDGFOMBJHT-LQNQUEJISA-N	546.421	5.805	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl	1529548139	AQKBMCVPBQFASA-JKYKOXDNSA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(OC)c1	1529548407	FSJZKXGEZMBJOZ-LNZKYNOCSA-N	702.027	5.575	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1C(F)(F)F)=C(C#N)[C@H]2c1ccc(Cl)cc1	2239070	BEGWTXNGFKBUGK-HSZRJFAPSA-N	546.014	6.796	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1OCc1ccccc1Cl	2946068	UJLUVWDMVJEOGJ-UVHMKAGCSA-N	530.806	5.412	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1cc(-c2cccs2)nc2ccccc12	3201111	CFBHJGZBVWBHPW-HPNXWYHWSA-N	569.686	7.885	50	40	KKGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	3230008	OPNPICLNKYEMQB-GDLZYMKVSA-N	516.622	7.277	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Cl)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136364	JIMKMDDRROAWOA-UMAORYOQSA-N	546.432	7.204	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@H](c3ccc(Br)cc3)Nc3c(Cl)cc(Cl)cc3[C@@H]2[C@@H]1Cl	8425364	CQXFVUIYAGMTLY-XZCYHHARSA-N	584.750	8.703	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12	12377293	SCUVPNHDNJCUGS-MHZLTWQESA-N	500.480	5.616	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3cc(C)cc(C)c3)c2C)cc1	20243642	RCWGDGHIJFIMBX-UVHMKAGCSA-N	514.489	5.866	50	40	KKGB	
O=C(COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)N/N=C\c1ccc(OCc2ccccc2)cc1	33355321	NAPXDXUUEWGKOO-MKBAHIQESA-N	612.686	6.138	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br	96476408	NAKAGKKORCKYQY-ZSOIEALJSA-N	508.597	5.731	50	40	KKGB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3)c2C)cc1	97980789	YPSZSXODOGNEPT-OCSSWDANSA-N	608.518	5.380	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(C)C)cc2)=C(C#N)[C@@H]1c1ccccc1	98000225	XRSQBZCZCRDAMF-PMERELPUSA-N	552.700	6.525	50	40	KKGB	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccco1	98001284	SMHHRFYOAREALM-PGGKNCGUSA-N	646.042	5.224	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(N)=C(C#N)[C@H]2c1ccccc1Cl	98006206	HWOMAGDJWBHPAL-JOCHJYFZSA-N	568.555	7.078	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)c2C)cc1	100119895	FAWWEYKGNMLJCX-BIZUNTBRSA-N	542.705	5.750	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100239879	MCYVNLAMLJUYKL-BIZUNTBRSA-N	562.667	5.286	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	100314107	FLTLLRYYCAWCRK-BIZUNTBRSA-N	561.635	5.067	50	40	KKGB	
O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C/c1cc(Cl)ccc1O	100459554	PAQRJMQTPHRPHX-LGJNPRDNSA-N	542.846	5.298	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1cccc2ccccc12	100952726	BONFYSUVMSVHRC-BKUYFWCQSA-N	578.381	6.717	50	40	KKGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)c(NC(=O)c3ccc(Br)cc3)s2)c(OC)c1	101339584	SMQNORLOXXNHRI-XSFVSMFZSA-N	546.446	6.906	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C(\C)c3ccc(C4CCCCC4)cc3)c3ccccc3n2)cc(OC)c1OC	102966806	YZOWKJOPQYBNMS-XICOUIIWSA-N	537.660	7.129	50	40	KKGB	
CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528567	BLVKGTRVFXGOND-QGZVFWFLSA-N	534.382	9.494	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)OC	103890567	DSOXFOVLKIPGLQ-QPEQYQDCSA-N	575.186	5.094	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2cccc(C(F)(F)F)c2)cc1	103894816	LHENTMDHFOBFCL-MWBNBJEGSA-N	596.675	6.384	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	104402909	FOSKEKNLEQWSAO-VULFUBBASA-N	532.232	5.953	50	40	KKGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	104699336	FEFZMZOUZMRRAX-HNYZNVFMSA-N	524.423	6.878	50	40	KKGB	
O=[P@]1(Nc2ncccn2)OC(CCl)=N[C@@H]1c1ccc([C@H]2N=C(CCl)O[P@]2(=O)Nc2ncccn2)cc1	105428408	XOXNHNUFOLUVLI-SHBWANIZSA-N	567.270	5.209	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(I)cc1	108230820	IVRUNOMLILIDTM-FMIVXFBMSA-N	509.130	6.404	50	40	KKGB	
CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341307	CKUOKXONQDHEEB-SSDOTTSWSA-N	944.189	12.582	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(I)cc1	150427913	BMEOZGXRBGQWKU-CCVNUDIWSA-N	627.704	6.378	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	195824917	CXIGRSVIJKSIQL-FLFWOSPYSA-N	500.928	10.418	50	40	KKGB	in-vitro
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@]2(CC[C@@H](Br)c1ccccc1)[C@]1(CC[C@H](Br)c2ccccc2)C(=O)[C@]2(C)CC[C@H]1C2(C)C	245240190	OTDWURFYQOPABZ-CZYYVGENSA-N	696.608	10.842	50	40	KKGB	
CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(OCc4ccccc4)c(OCC)c3)cc2OC)ccc1OCc1ccccc1	408540472	SFUAPIPBFMMSJR-RSEYIHLLSA-N	660.767	7.994	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)c(C(=O)OCC)c1C	408547512	YRYDOYJCDSMFKH-WSDLNYQXSA-N	621.509	6.342	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCC(=O)Nc1ccccc1	408566678	AWYYCCSFQBXQEA-SXGWCWSVSA-N	521.346	5.555	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408567342	CYXTZSXSPGECBE-FJEPWZHXSA-N	622.006	7.088	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408581103	UMAYIBZBSOZAMB-CXUHLZMHSA-N	600.261	6.747	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)c2ccccc2Cl)cc1I	408587029	DPRUNUYJLZNUKG-ZVBGSRNCSA-N	568.580	5.100	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Br)cc1	408608759	INNKUTQDQJPGFC-LQKURTRISA-N	524.415	5.078	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)cc1	408611068	PUCBAHMSAQWNIE-OKCVXOCRSA-N	544.435	5.849	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408642881	FJWSRGSKBSRXNA-JCKQNYJESA-N	794.236	6.139	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1ccccc1	408683929	NSYRPCXAAGUBSX-VPUSJEBWSA-N	528.402	6.483	50	40	KKGB	
C[Si](C)(O[Si](C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	408720567	UVOCNMQDJGXTQO-UHFFFAOYSA-N	614.763	5.549	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408726019	OMWHZPXWLJTAOZ-WQRHYEAKSA-N	527.802	6.331	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc(Cl)cc1	408726774	UNLVTQAHASCDBB-ISIUFKJFSA-N	552.840	5.809	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1	408741926	SSCITCXAMRQPDA-VWJSQJICSA-N	648.328	7.357	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)ccc1I	408746928	HXEFFLVDLZOABN-LUOAPIJWSA-N	709.091	6.149	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408751611	AKUXWVKHHVCLAT-IUXPMGMMSA-N	625.144	8.042	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc(C(C)(C)C)c1O	408755981	SQCIQLIFVTZDGK-HNSNBQBZSA-N	535.084	6.943	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OC	408762010	JFTWFMFESCRTKS-SDQBBNPISA-N	517.150	5.551	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2ccccc2c1	408763828	VBUXOYBBPMNUER-DEDYPNTBSA-N	578.400	5.824	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)c2ccc(C(C)C)cc2)cc1	408777646	DXJAPSMBDLJDFN-JVWAILMASA-N	528.472	5.227	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC)c(I)c2)cc1	408788971	NLYMPXAYOJBOOE-RIYZIHGNSA-N	558.157	5.012	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1	408792361	AYMGCJHMRMBFMR-VCHYOVAHSA-N	651.682	6.618	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br	408794213	IHWSUMUZACESKD-DEDYPNTBSA-N	568.265	6.901	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408794596	JTEZUZGYYYPQNE-RQZCQDPDSA-N	508.874	5.290	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408796930	PTMWUHIDQJXNNZ-GZTJUZNOSA-N	593.646	6.832	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)cc1	408798976	XMCYQUAXKYCGKI-FYJGNVAPSA-N	505.368	5.669	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408806417	ATPOSFGTJWFTTP-FASPKUOTSA-N	645.543	7.050	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1c(C)ccc2ccccc12	408806627	FXJHTUCMMVNHEP-BUVRLJJBSA-N	511.021	7.633	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408812665	NHDUOOPKOJINMU-YDZHTSKRSA-N	563.448	6.376	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccccc1F	408817221	XHYBRJVMUVZUKX-CHHVJCJISA-N	599.081	7.782	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1	408827661	FRQRHCYJFAGLPS-KVQDIILNSA-N	588.173	7.518	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OCc2ccccc2)c1	408828726	LYRYGGHZIIZHNR-BUVRLJJBSA-N	559.449	7.706	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408830635	PRPKSOMAMIXMFR-XDHOZWIPSA-N	633.280	6.586	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OCc3ccc(Cl)c(Cl)c3)cc2)cc1	408831827	HLBRGGUXZKDWDH-KOEQRZSOSA-N	543.450	8.006	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)cc1Cl	408833039	RHZINZKTLPLMMY-CAOOACKPSA-N	547.822	6.797	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC	408833781	UYLNGAVHKVWDLI-OVCLIPMQSA-N	568.795	5.471	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OCc4ccc(Br)cc4)ccc4ccccc34)cc2)cc1	408835781	YDFBLEFSAUGVGP-VFCFBJKWSA-N	603.516	8.614	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408840205	YJKSFDDQLHHLMZ-MUFRIFMGSA-N	519.026	6.544	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408851872	GWKGRALIBXVKMJ-PDGQHHTCSA-N	566.894	6.062	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1Cl	408852995	XZQHVSYTDWRZEA-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1	408856614	CRRFZIDSKMJFTG-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1Cl	408857691	VUTALAKIZNLJMX-XKZIYDEJSA-N	578.894	6.827	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	408862963	NWUVKESQSDXSPB-ALQBTCKLSA-N	682.593	5.708	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1	408864588	XBGWANAEDWDEBM-HPNXWYHWSA-N	661.180	5.045	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc12	408873567	SCFBAMOTQTTYGA-OCSSWDANSA-N	562.420	6.181	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c(OC)c1	408883053	SUYSJKMTMDITHL-KEBDBYFISA-N	525.374	5.408	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OCc1ccccc1Cl	408884918	ZBUNNHJPDVSTSU-GIJQJNRQSA-N	512.349	6.343	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OCc1c(Cl)cccc1Cl	408888162	XKMLZTGHHSHMJI-XNTDXEJSSA-N	522.215	7.433	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1ccc(I)cc1	408888629	YBOLVIAQGMTNFZ-LICLKQGHSA-N	638.097	6.941	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Br	408893308	DRMQMUOUJVSYRI-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl	408893935	HBZNRLLXYGJXPI-NTUHNPAUSA-N	578.162	6.910	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(I)cc1	408904101	DTBZSNXAZJKUSL-ZMFRSBBQSA-N	594.247	6.105	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	408913977	WQDXTKXBVAFGGF-ZCTHSVRISA-N	529.434	5.723	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1OCc1ccc(Br)cc1	408923936	MDGGVXVHDAZRTC-OGLMXYFKSA-N	504.384	5.591	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408942150	FWADFGCJIOLXOI-MHZLTWQESA-N	795.348	6.438	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3cccc(C)c3)cc2Br)c(OC)c1	408953790	MRKLXXPDHLBPDS-LAFJBSAWSA-N	695.567	5.074	50	40	KKGB	
CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)cc1	408964029	MCDHYUSEBPGGEB-FBTHGLLTSA-N	523.460	7.188	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCCOCCOc3ccccc3C)c(OC)c2)cc1	408972338	RQNLSYQFPIYZEJ-CJLVFECKSA-N	537.012	5.686	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1Cl	408982954	JCLBAMZKGUGFAL-IUXPMGMMSA-N	689.118	7.636	50	40	KKGB	
O=C(NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	408999561	UWLUXWGTLHDHIA-UHFFFAOYSA-N	507.171	5.083	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409005376	IDYUQUWRYJAROA-ZCTHSVRISA-N	592.515	5.369	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccccc1Cl	409017680	SSUHSGSWRDSVTP-KASZSSGFSA-N	689.080	8.193	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1ccc(Cl)cc1	409017803	PWYIZBVRNCEASQ-BVMLUPFRSA-N	568.855	6.158	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1cccc(C(=O)O)c1	409018790	ZFXMJVMQFOFZQU-VPUKRXIYSA-N	775.131	6.454	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	409027996	XIRSFPZSQLPULJ-NHFJDJAPSA-N	528.472	5.110	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1	409048095	RGVAJDOQPDLUHC-UDWIEESQSA-N	580.251	7.629	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	409181212	ZDBASZMNVZACQS-XQYIRPNZSA-N	575.668	5.731	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(OC)cc3)c2)cc1	409221676	ACAVGGLMMMVVEQ-UHFFFAOYSA-N	602.441	5.702	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)cc(OC)c1OC	409224434	KBSPGQZMZKIGMY-UHFFFAOYSA-N	701.324	6.066	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccccc5C)cc4)cc3)cs2)cc1	409254051	HLLKTWUINAASJA-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccccc3)cc2Br)c1C	409258171	RTUVNADIEZOHRF-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	409259443	ZOQLILUPXXRYRD-MFOYZWKCSA-N	525.348	5.773	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1	409272223	MNYPRXVQGMAPQV-GHRIWEEISA-N	522.508	6.461	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	409309803	MQDIRPLULDLPLI-YKQZZPSBSA-N	553.453	6.154	50	40	KKGB	
CCCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OC)c(OCC)c1	409312908	AFFWCAOCRLXTIP-FMCGGJTJSA-N	514.214	5.172	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2F)cc1OC	409324418	SSODFLUIXUBSIG-VYYCAZPPSA-N	501.352	5.338	50	40	KKGB	
N#C/C(=C\c1cc(I)cc(I)c1OCc1ccccc1)C(=O)N1CCCC1	409367601	FWUABJBIQCCXMS-LICLKQGHSA-N	584.195	5.004	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc5ccccc45)c(I)c3)[nH]c2c1	409371372	CFBQRCXNUPTXLK-HMAPJEAMSA-N	541.392	7.272	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(OC)c1	409372769	JSKYNSPIVPKGEB-FJEPWZHXSA-N	610.404	5.503	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1	409373222	OWNNFRIYDFDUEX-WKULSOCRSA-N	564.392	5.871	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(I)c1OCc1ccc(Br)cc1	409387616	RUNWKXGHFORQJP-CCVNUDIWSA-N	614.322	5.404	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cccc(F)c1	409390284	DVDSSJJMYAMENK-NHDPSOOVSA-N	537.226	8.147	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409393072	UWTOLSDDVAVDLX-HQDYHJHZSA-N	612.351	8.016	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	409393862	SSXXZHMDXSYNNA-IDUWFGFVSA-N	554.186	7.389	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccco1	409395907	TVTBAGQWQFCVFI-UHFFFAOYSA-N	733.154	7.541	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397072	FVORLSHYLXSXRJ-UHFFFAOYSA-N	641.338	8.830	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3cccc([N+](=O)[O-])c3)o2)cc1	409402275	JPDVTTYRYXXPCN-HQDYHJHZSA-N	599.043	7.171	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)nc3sc4c(c3c2=O)CCCC4)cc1	1900868	FWYADAJDDOGCQZ-HNSNBQBZSA-N	580.735	6.669	50	40	KKGB	
CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)N/N=C/c2c[nH]nc2-c2ccccc2)c(Br)c1	2765698	SJOPQPQGYQCMAE-VFLNYLIXSA-N	590.360	6.845	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(F)cc1	4196384	VWFNFEZQBSKFBB-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccc(Br)cc1	6166475	XUTDCQIFZZYJDF-YABKDAIQSA-N	609.546	5.644	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2c(Cl)cc(/C=N/NC(=O)c3ccncc3)cc2OCC)cc1	8408107	MGZWFCZQMXUEII-RUMWWMSVSA-N	540.060	6.315	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccc(Cl)c(Cl)c1	8438158	WYLCJESSAKXJEK-QHCPKHFHSA-N	609.247	6.499	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccccc1Cl	9086546	JJMJVHXYRUZEEJ-QRQIAZFYSA-N	510.450	6.182	50	40	KKGB	
CCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1	18284946	ZOTGJEMFGUOKSC-CADBVGFASA-N	529.269	5.379	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1Cl	32576878	DLDCQNGYKASFPD-PPDIBHTLSA-N	503.842	6.287	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccco3)s2)cc(Cl)c1OCc1ccccc1C	59222148	LXOXUCZHTHLSAO-CCVNUDIWSA-N	554.028	5.016	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1cccc2ccccc12	59435239	DZAPQLUZXIFLBQ-MUFRIFMGSA-N	513.644	6.280	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1OCC	59646605	SFUBLUHROZAMMM-TWKHWXDSSA-N	585.748	5.340	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	100065154	VEZFCINXKIMOJQ-KCSSXMTESA-N	566.045	6.392	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1cocc1/C=N\NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C	100080313	HERUCOFYFAGMOX-TYJYOEJWSA-N	538.604	5.586	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	100224303	JCIYEWZKVQCWMB-FYJGNVAPSA-N	545.393	5.683	50	40	KKGB	
N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1	100836918	ROEDQMWMNRAZCM-AEPTXUNZSA-N	528.848	6.712	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1cccc2ccccc12	100852660	BVAXYPXYOKUVMA-BIZUNTBRSA-N	538.698	6.112	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(Cl)cc3)Nc3ccc(Br)cc3[C@@H]2[C@H]1Cl	101147886	KFXQFKKNORQDIZ-DHMZULSFSA-N	550.305	8.049	50	40	KKGB	
O=P(C(/N=C(/Sc1ccc(Cl)cc1)c1ccccc1)=C(Cl)Cl)(c1ccccc1)c1ccccc1	102311580	OQZFLGHRGHCBDE-TVKQRKNISA-N	542.855	8.497	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)N1	102416223	IKHXCPIRMACDKP-DEOSSOPVSA-N	555.512	6.761	50	40	KKGB	
CN(C)c1ccc(/C=N\NC(=O)CN2C(=O)N(c3ccc(Cl)cc3)[C@@H](N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)cc1	103760503	ALYIUAJVTVWBHX-AUIFSDOCSA-N	612.518	5.480	50	40	KKGB	
BrC/C(=N\N=C(/CBr)c1ccc(Br)cc1)c1ccc(Br)cc1	104200395	WSWCDAXVRAVEEJ-YHARCJFQSA-N	551.902	6.195	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1Cl	104899022	DHQFYBUTWZAHFF-MUFRIFMGSA-N	538.829	6.245	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1C	108985525	SMEBLHPYYLIFNQ-UVHMKAGCSA-N	575.257	6.008	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1cccnc1	112255349	SKECFSGQPRQYNE-VREQVNACSA-N	548.602	5.201	50	40	KKGB	
CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341268	DIMKIDRYDPORJT-ZCFIWIBFSA-N	930.162	12.192	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	150423216	BBZDGXDOXPQYKD-JMIUGGIZSA-N	718.289	6.130	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c(C(=O)OCC)c1C	150622062	JPRSDPWQKJMGIV-RGVLZGJSSA-N	769.395	6.917	50	40	KKGB	
COc1ccccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C	226592864	NZJGUASGNASYCH-AFAVFJNCSA-N	510.064	5.320	50	40	KKGB	
Nc1cc2c(cc1O)[C@@H]1[C@H]([C@@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@H](Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)[C@@H](Cl)[C@H](Cl)[C@@]1(Cl)C2(Cl)Cl	263602165	LYSZWEBJHYXSPZ-RMFAAQTESA-N	708.766	8.130	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540467	SFEIJAXVXNQKPL-FZKWRIDDSA-N	559.062	6.978	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c(C(=O)OCC)c1C	408547169	SSXHLDKNYJSKIV-RGVLZGJSSA-N	586.493	7.015	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552508	JCQOUQIXEJDMGT-OEAKJJBVSA-N	568.496	7.539	50	40	KKGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408611812	WSEXJRDJLMVQFL-IPPBACCNSA-N	504.801	5.035	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1	408637998	PIYDTGLURPBZJN-GOXGLGGOSA-N	630.568	8.235	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408640519	IGSAZHWKAMGQFD-BDTNDASRSA-N	517.384	5.058	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1	408642656	NQSJQPKJTFGDOX-QYOOZWMWSA-N	732.809	5.730	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408643531	GCVVSBZDDGJQQJ-UEXGIBASSA-N	539.818	5.545	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	408682283	KSYBQTWNKPQIIN-GFBDQPOWSA-N	566.677	5.183	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCc1ccccc1Cl	408710837	OGVBCYAVMQPOES-UVHMKAGCSA-N	552.771	5.825	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Br)cc1	408727100	PUXSNHLMUUPMOP-XKJRVUDJSA-N	605.283	5.480	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(I)cc1	408765706	XGWLNYLHZOQMRN-STZFKDTASA-N	599.266	6.907	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408787636	CYTFOHJXWCLKGO-YZSQISJMSA-N	553.456	7.461	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)c1	408792002	GKHUWUARABSECV-VXLYETTFSA-N	577.249	7.340	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408794095	HRXZNWAFQTUXGZ-FRKPEAEDSA-N	566.666	7.543	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	408794790	SYDWUJUYWMXIEU-RQZCQDPDSA-N	625.144	8.042	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1	408803683	SBKDUSFSNSDGIA-XDHOZWIPSA-N	507.804	7.925	50	40	KKGB	
Cc1ccc(NC(=O)Cn2cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c3ccccc32)cc1	408812218	CTSILZDIGBCIOF-GKVNEZTPSA-N	565.677	7.118	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408817244	XKUDEWKQZWIYJJ-FRKPEAEDSA-N	552.241	7.442	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408821219	DWDVEVAUVQYLRC-DEDYPNTBSA-N	598.291	6.910	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC	408823741	ORVODJNUKUQGON-UDWIEESQSA-N	651.328	7.910	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccccc2Cl)cc1	408833303	TZFWLZIAODYXQY-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)cc3)cs2)cc1	408838070	BXGSUCOXDVUFRU-ATZGPIRCSA-N	642.535	7.876	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1	408847063	OUAJDHIGVNHLFC-XLNRJJMWSA-N	562.047	5.878	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2ccccc2o1	408850243	JEGXXOOTWKSNGU-ZRGSRPPYSA-N	573.197	6.209	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408860940	IYBSARDEMMRNQF-ALQBTCKLSA-N	629.953	6.635	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408862858	MWHHDOPOLYRJBZ-QCFMCPCVSA-N	620.687	6.333	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccc(C)cc1	408869578	SLOSBQHQHFSKES-QCFMCPCVSA-N	619.143	5.953	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1	408888768	AJSGKRREKYWITE-YDZHTSKRSA-N	518.997	6.267	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408894794	ITYUXLMNFWAAGF-VYVUJPJFSA-N	711.298	5.907	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408896438	RDODEJDKMXWNOE-WYMPLXKRSA-N	539.551	5.156	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)ccc1Br	408904379	INZKJSMZEGQWIG-BCHBDCPOSA-N	569.656	7.047	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)ccc1Br	408905538	YYNZFWJNDWTCJK-BCHBDCPOSA-N	525.205	6.938	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccc(F)cc1	408924324	MTPSIHRTZPDAGN-WOJGMQOQSA-N	621.244	6.716	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	408951962	JJNZVDCKZLREPU-LOMSXHPKSA-N	671.534	5.310	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(OC)c1	408953492	LVMWCTRIUQMVQT-ZBVWQCQISA-N	730.956	5.318	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408954614	RXWOXOBVQHSFGY-QQXSKIMKSA-N	583.519	7.727	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)c(OC)c1	408957812	WFOWTAMNOLREEE-UFYWSHJYSA-N	645.716	5.572	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(O)ccc2ccccc12	408974114	XHWRNTYBODIHLT-SRGWVCNISA-N	550.442	5.497	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1	408993559	WEGPOKPWLSOMMN-XUHKYYRBSA-N	609.689	6.581	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409000892	ZVMLVVMFFGRXDE-UZUXJTFHSA-N	636.960	6.795	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007958	SNQUIBPNTXDDED-ICUTVXMZSA-N	565.714	6.263	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)cc1	409016979	UQIUINNUCOQFIY-KVSWJAHQSA-N	536.799	5.202	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1	409023659	AVRXVCNQANDCKI-ZCTHSVRISA-N	549.096	5.656	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1	409044056	AQLZMZHTNXRTMG-VCHYOVAHSA-N	605.124	7.407	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	409052378	DGZKTFGRGFLWIX-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCc1cccc2ccccc12	409068366	FYVMWYFWFRTLBZ-TURZUDJPSA-N	502.614	7.400	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	409075637	SOIVRRAOMDUVKA-MHWRWJLKSA-N	564.211	5.952	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409082999	RQWYNNFDVOQUSZ-OVCLIPMQSA-N	621.322	7.021	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	409110281	AVMAKLHTCMWSEA-OCSSWDANSA-N	646.938	5.698	50	40	KKGB	
Cc1[nH]nc2c1[C@H](c1cc(I)c(OCc3ccc(Cl)cc3)c(I)c1)C(C#N)=C(N)O2	409125818	ADLWLZKQNCLIJI-GOSISDBHSA-N	644.638	5.378	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(Cl)c1	409145381	ODYDTMCQMJCRLA-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)cc2c1	409185050	QQMVAJVCTCHCCI-NUJZUDFISA-N	602.279	6.708	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4Cl)c(OCC)c3)cc2c1	409188272	YDAFYLLGWVRMSJ-MNDYBZJGSA-N	618.855	6.831	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c2)cc(OC)c1OC	409217758	BFNCRRQMNCCJOG-UHFFFAOYSA-N	632.467	5.710	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409222079	AMARDKWRGVASCU-UHFFFAOYSA-N	689.282	7.466	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccco2)c1	409227380	ZSJQDVCLBDXKIH-SPHAGUTFSA-N	558.388	5.677	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409248141	GHMWABYGVZVXAH-CTPANLQCSA-N	536.382	5.729	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409251433	PTYMXWSHWBGYIT-MUXKCCDJSA-N	524.961	5.045	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc(Br)cc1	409259363	ZAWAKMBGJLPFPE-VULFUBBASA-N	528.359	5.108	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	409264756	RUSQZSPAESZKST-MUFRIFMGSA-N	558.314	6.781	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OCC	409320857	CQDNEZYBFSBMPD-LJUMEUDFSA-N	644.462	5.695	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc(C(=O)O)cc1	409337771	VHNIHIUMTCQYPA-QRVIBDJDSA-N	516.981	6.208	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409360218	DJINLRLCRHWIOP-DBFSUHOCSA-N	535.811	5.698	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)cc2I)cc1	409374447	PTULLTCODKCARK-GRSHGNNSSA-N	631.255	7.032	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)cc1	409394645	DFHBFXDQINPOTO-UHFFFAOYSA-N	645.351	7.960	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409394891	HDHWKDUQNSEYMY-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl	409396478	YQZFZVMLFMZCLV-UHFFFAOYSA-N	706.207	9.203	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)cc1OCC	409397414	JPBLITWZMATSLZ-UHFFFAOYSA-N	607.066	7.140	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)O)c([N+](=O)[O-])c3)o2)cc1	409400224	CCELRLIGSHFHHV-DBFSUHOCSA-N	566.954	5.055	50	40	KKGB	
C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@@H]3[C@H]([C@](C)(C/C=C/C(C)(C)OO)O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@@H]4O)CC[C@]32C)[C@@]1(C)CCC(=O)O	1775964075	QJHBVGJDEBZDIX-YZVNJPFXSA-N	680.876	5.263	50	40	KKGB	biogenic,in-vitro
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccco1	2205988	VFSZVBDGTMXTMJ-QHCPKHFHSA-N	503.555	5.187	50	40	KKGB	
COc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)ccc1OCc1ccccc1	2309614	VGZFJAXKMYQQFD-QFIPXVFZSA-N	534.037	5.638	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc3ccccc3c1)=C(C#N)[C@H]2c1ccc(Cl)cc1	2311995	BSTFELQUPATYRI-HHHXNRCGSA-N	528.077	6.930	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1	2793047	XEMKKDULANXOIL-KKMKTNMSSA-N	560.857	6.074	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1c(C)cc(Br)cc1C	3085791	ODTRHXMHAWSEDC-GZIVZEMBSA-N	549.057	5.129	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	3109509	SEPYQLUCUYIMLN-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
O=[N+]([O-])c1ccccc1[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)P(=O)(c1ccccc1)c1ccccc1	3191045	HIUYOGRQOUJUAD-LJAQVGFWSA-N	542.553	5.739	50	40	KKGB	
Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1	3234489	IBRRHBLBKFRXAP-AJBULDERSA-N	518.646	6.341	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)=C(C#N)[C@H]2c1ccc(F)cc1	3336192	TWBSIQVLWBDDGI-HSZRJFAPSA-N	564.004	6.935	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)cc2)S(C)(=O)=O)cc1C	6280312	BEHQMLBIQZIKGI-MWBNBJEGSA-N	596.675	6.460	50	40	KKGB	
CCCCCCCCCCCCCCCCNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C	8440300	QZQFKTHWSDENLQ-OUIFVKKZSA-N	628.372	9.270	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1	8722713	VCZSAZMDBMZBME-MCHZODJNSA-N	518.353	5.407	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1C	12555925	PRIGRFNLVWYWIB-NTUHNPAUSA-N	509.154	5.373	50	40	KKGB	
O=c1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n(-c2ccccc2)c(=O)n1-c1ccccc1	73417838	UTVWJMQGBQSTBA-UHFFFAOYSA-N	539.575	5.798	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	97950417	WXMUBMADGYPWPO-HHHXNRCGSA-N	529.065	6.355	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2OC)=C(C)N1	97951604	JAALDAUQZGRTIT-HHHXNRCGSA-N	544.702	6.026	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1	97990106	YARVVYSNQGBKMR-PPOKSSTKSA-N	585.774	7.052	50	40	KKGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	98008052	OVQJTKHXVBXBPT-YTTGMZPUSA-N	533.031	5.915	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccccc2Cl)cc1	98048451	ZDZBEKKUHRDQDB-QHCPKHFHSA-N	522.457	6.792	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	100081364	BCIHCMNMTIPTRL-DPNNOFEESA-N	597.568	6.870	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100336679	BXIYLAFENDCJCL-IUXPMGMMSA-N	534.193	7.316	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1	101178623	NMRFFLFZUNHNFY-YDYXIROLSA-N	597.332	5.954	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1O)[C@H]1CC1(c1ccccc1)c1ccccc1	101993361	YXRFZANKERGZIN-YMSFFTPVSA-N	608.217	5.058	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(C(C)=O)c2)N=C2CCCC(O)=C21	102531546	MPHKBEYBTNCBSO-SANMLTNESA-N	501.608	5.929	50	40	KKGB	
N#CC1=C(c2ccccc2)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O	102610359	IXSQKKGSLJSIBW-UOBPLZBXSA-N	553.423	5.170	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Cl)c1OCc1cccc2ccccc12	102933121	JBHFCKUKDBQLCB-CIAFOILYSA-N	606.860	7.687	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	103902069	VSJOYDBJZRVOLV-UZWMFBFFSA-N	541.673	5.536	50	40	KKGB	
O=P(OCCCl)(OCCCl)[C@H](Nc1cccc2ccccc12)c1ccc(N(CCCl)CCCl)cc1	104275990	VGGSDTYNFDDELH-VWLOTQADSA-N	578.304	7.938	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	104704793	BDUIYYFICQGKJY-PPFNPFNJSA-N	600.697	5.000	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	150385715	IKYSPCWQCZNDSB-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(Cl)cc3Cl)C2=O)SC1=S)NNC(=O)c1ccc(Cl)cc1Cl	150453648	VLPPMICCLGACBX-OCEACIFDSA-N	864.708	6.575	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795407	YCRGUBLLEWUTAS-KBPBESRZSA-N	986.236	13.482	50	40	KKGB	
COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@](OC(C)=O)(C(=O)C(Br)Br)[C@@]3(C)C[C@@H](C)[C@@H]21	169796788	CQPHZFNOXSLULF-BNKLWQPESA-N	542.308	5.784	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@H]3ON=C(c4ccc(Cl)cc4)[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	250540987	TVEXPMZTLXPLLA-LQRJQBNNSA-N	648.079	7.474	50	40	KKGB	
C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O[Si](C)(O[C@@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)O[C@@H]3CC[C@@H]4[C@@H]5CCC6=CC(=O)CC[C@@]6(C)[C@@H]5CC[C@]34C)CC[C@H]12	263596781	GAXCSAJQPMKJSH-FXTCVPBYSA-N	905.390	13.306	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C\c3c(C)n(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)[nH]c2cc1C	408543371	OKQITKVNKDBPKS-NDENLUEZSA-N	503.562	5.874	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551590	OGHUIDZDRBKJHQ-RQZCQDPDSA-N	770.228	7.595	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1	408567861	GLPKUSHBESTVEI-IPPBACCNSA-N	560.072	5.504	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccccc1F	408569459	NWKVMGNFEKZPQS-MUFRIFMGSA-N	526.655	5.811	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408639031	DYFUTCFHXDIGFY-VCTPWBKUSA-N	722.038	7.163	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1cccs1	408661569	XJAVEGCGXJZPCE-WITHRNOMSA-N	635.161	5.073	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3C#N)cc2Br)cc1	408743109	DPWUVJYLJUYFFV-MTJSOVHGSA-N	532.394	5.853	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)c1	408744509	LRZIBVPMHUXDBT-GRSHGNNSSA-N	525.786	6.234	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br	408747339	MNLKPOJUVLILIU-SDQBBNPISA-N	573.035	5.072	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408757576	AFLFIWGPVNXHSO-OPEKNORGSA-N	603.234	5.204	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)c2C)c1	408759664	JDUBNCYQHFZDLT-BHGWPJFGSA-N	505.210	5.397	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)ccc1I	408773310	UVFWINYFRSYXQM-YVLHZVERSA-N	550.227	6.860	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1F	408788188	IWQVNJAVBKRUSV-CIAFOILYSA-N	570.402	6.571	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408796966	QOKKXPZCRBUZEM-OMCISZLKSA-N	629.563	8.605	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(F)cc4)c(Cl)c3)cc2)cc1	408821274	FNGVJWUPMWGZGV-PCLIKHOPSA-N	526.995	7.491	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCc1ccc(C)c(C)c1	408835573	OBJPXIKSXGYGPI-UFFVCSGVSA-N	599.909	7.260	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408840368	BARBRQIFQQKXGD-XJECJHNESA-N	725.846	8.244	50	40	KKGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2c1	408840980	HAHHQRDGUATDHW-VFLNYLIXSA-N	514.529	5.769	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC	408843510	NKWTYNLEZYFSQT-VFLNYLIXSA-N	583.430	6.324	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4OC(=O)c4ccc(Cl)cc4)cc3)sc2c1	408844405	OKIPTDNXXUUKRW-KVAAJVFYSA-N	602.499	7.752	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1cccc2ccccc12	408850444	NUBDDMNYWJUFNL-HYARGMPZSA-N	545.408	7.265	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408869588	SIFAVPLMDCHDTJ-RPPGKUMJSA-N	581.648	6.045	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc(Br)c1OCc1ccccc1Cl	408871916	ZMQBHSMKZILBAB-NKZWWHGNSA-N	533.875	6.321	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1cccc2ccccc12	408888809	BAPNSYMYMVAAHW-FJEPWZHXSA-N	576.472	6.574	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OC(=O)c1ccc(OC)cc1	408891343	OZWBDFNLWAHPCB-LDADJPATSA-N	612.376	5.162	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl	408893479	GJXSRRYTJJJGBM-LDADJPATSA-N	566.238	7.674	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc(C(C)(C)C)c1O	408894008	IBAAMFVUVQFCRM-FABQOPTDSA-N	555.546	7.956	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccccc1	408903836	ABTNTDPGUBNHLD-ZMFRSBBQSA-N	571.327	5.297	50	40	KKGB	
Cc1ccc(Sc2oc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc2Br)cc1	408911646	AULOUNZRRYOMAJ-NUGSKGIGSA-N	589.103	6.496	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c(F)c1	408964259	CMUVYJPJWRLSMK-KKMKTNMSSA-N	625.179	5.249	50	40	KKGB	
CCCOc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408972546	VCXDWQVRTIKTMD-AMBALQSSSA-N	572.489	5.436	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1ccccc1	408979535	MQLPMRLRMOALMM-JBIOKXMTSA-N	547.453	5.780	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	408982052	XKSUQJJRTVBTKA-QVKATGLSSA-N	572.643	5.042	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1	408984815	STPVLWOLGLMPQC-IDUWFGFVSA-N	698.682	6.711	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1Cl	408984956	USJHJPALGRMZME-NHDPSOOVSA-N	657.733	8.293	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408993993	XXZSLECEXILZFQ-OYKKKHCWSA-N	531.008	6.599	50	40	KKGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OCC	409015486	AWKKISMIMMIVBQ-MSXFZWOLSA-N	524.742	5.418	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	409032026	HWRVXUYUTRCROJ-WCMJOSRZSA-N	660.965	7.763	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409060264	YZPXYTJRYUBKHI-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409113917	JMKXOCVFZRRHHV-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1cccc2ccccc12	409122709	BCSBTMZWIJYFIW-PMERELPUSA-N	677.583	6.805	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc(Br)ccc1O	409139255	AYOLLGZUNOSWPQ-BHGWPJFGSA-N	549.175	5.168	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409175458	RNBHEQCSJJYHIE-MHDJOFBISA-N	635.437	5.753	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1	409183285	BEEFXNZWIBAZJF-RUMWWMSVSA-N	557.672	5.642	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2I)c1	409208367	BAXKJDWYPJRWTA-KKMKTNMSSA-N	676.745	6.679	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409210642	JVXUOYINCIIZBZ-MFOYZWKCSA-N	534.193	7.316	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1	409235505	BTRQNPVXPDMGMF-KQWNVCNZSA-N	609.464	5.363	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)n1	409236374	FPBHQTRSHHTHJB-NSKAYECMSA-N	645.748	5.935	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc(C(F)(F)F)c1	409247253	CTNGTVPXWLCLIF-XKZIYDEJSA-N	551.362	7.746	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1ccccc1C	409249674	KFAZREWWYOSWBQ-IPHFVPNQSA-N	581.669	6.153	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1C	409252759	SUTZKPBKGMUSTL-YBFXNURJSA-N	572.381	6.648	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409256520	LSVXAWGPXOLEAT-MHWRWJLKSA-N	530.795	6.219	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409258609	VQJZMNNHBFQJRQ-YBFXNURJSA-N	524.404	6.182	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)CC2=O)cc1	409259154	WVZGNFODEKTFDC-UFFVZDAASA-N	536.028	5.220	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409261180	ATSSLAFIUVUIGS-DEDYPNTBSA-N	519.985	5.619	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409270406	FNFQCLHSJCDSCE-UNOMPAQXSA-N	615.855	6.215	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2)cc1	409272539	ZREMCRGNZHEDCV-FABQOPTDSA-N	596.112	7.297	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409314031	DUVNMSSEIMMICY-ACXHZZMFSA-N	663.896	5.698	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCc1ccc(C)cc1	409319110	AHMPBWFNKGNWDR-FZKWRIDDSA-N	650.513	6.929	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1OCC	409320250	AMGJGDIZAFFLPU-MNDYBZJGSA-N	634.321	6.440	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OCc1ccc(Br)cc1	409362208	UGMIRCOPGDSARU-KVSWJAHQSA-N	673.143	5.966	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409366797	YLYRNOXHCWRMMC-LSCVHKIXSA-N	556.312	5.580	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	409387792	QQQZUFLIMJPBAR-UDWIEESQSA-N	564.436	5.646	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cccc(F)c1	409389428	AZSLWXIQTMYZFR-NVMNQCDNSA-N	500.267	5.982	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)cc1	409394622	CWXLUQSOEOAPFG-UHFFFAOYSA-N	677.349	7.360	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409395105	JYKUIWYYINBTIE-UHFFFAOYSA-N	635.345	8.504	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccco1	409396575	ZCOQMWVUXFBMCW-UHFFFAOYSA-N	612.867	7.980	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397417	JQKGKSHBFDZLKN-UHFFFAOYSA-N	661.350	7.742	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409398191	RQUYLQBMLQKGLR-UHFFFAOYSA-N	588.016	6.480	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccccc1C#N	409404174	PCWZUZWDKMHCHO-KOKCXWAISA-N	700.533	7.094	50	40	KKGB	
Cc1cc(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Br)cc1	647900	IYFHUPYDJWDOHX-BVAGGSTKSA-N	513.439	6.239	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(OC)c(OC)c3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	1059991	QNJBDVCWCMUQRI-VWLOTQADSA-N	561.704	5.762	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Br)s3)n2-c2ccc(Cl)cc2)cc1	1805622	WAYLDPAPKLHDHC-BRJLIKDPSA-N	546.903	5.963	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1	1841068	VAUWGHNPPUMVDF-MZJWZYIUSA-N	512.422	5.492	50	40	KKGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/C(Br)=C/c3ccccc3)s2)cc1	2360204	GNYWZFHQFFXXJE-WYWFDCEMSA-N	519.515	5.769	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1	3086405	FNVGQKPRXZXKBM-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
COc1ccc(/C=N/NC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)c(OC)c1	3162800	SQILJUIOOGEASI-YSURURNPSA-N	528.241	5.190	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1	3254471	JVNCDSHVMVVWFY-PXLXIMEGSA-N	513.391	6.736	50	40	KKGB	
CC(/C=N/NC(=O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-])=C\c1ccc(C(C)C)cc1	8780734	ICMNXEFAQMXQBW-TZBMKNORSA-N	510.392	5.545	50	40	KKGB	
COCc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1C#N	15018613	YEHDGKRKHMFPAA-IPBVOBEMSA-N	516.454	5.365	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cccc(Cl)c1Cl	30735326	RJXCYSKNCBIXIC-UYOCIXKTSA-N	503.889	6.033	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1	59116881	LTMUKISCMXCHSN-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1Cl	59245200	QDIHPSCABYWEQZ-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
Cc1nc(SCC2=C(C(=O)OC(C)C)[C@@H](c3cccc(I)c3)C(C#N)=C(N)O2)c(C#N)c(C)c1C	97940083	NZEZHVCOIYKQQH-QFIPXVFZSA-N	600.482	5.289	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1cccc(NC(=O)c2cccc(Cl)c2)c1	97965789	WGQZAFJPXAKILR-WBIBEUCMSA-N	553.449	7.615	50	40	KKGB	
O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1	97980811	GNOSPKDXDBTKOD-UXHLAJHPSA-N	549.121	6.356	50	40	KKGB	
Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc(Br)cc1)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2	97984045	BZDJOOAXNTTXEI-XSJXPNIVSA-N	632.546	8.782	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	98000227	SHLHRIRQSDGTQT-YTTGMZPUSA-N	580.706	6.624	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	98001188	WQJZUPBCGBSNFJ-KBKYJPHKSA-N	611.630	5.522	50	40	KKGB	
Cc1cccc(CSc2nnc(N3C(N)=C(C#N)[C@]4(C(=O)Nc5ccc(C)cc54)C4=C3CC(C)(C)CC4=O)s2)c1	98007285	LAPNPRQRTABKCP-PMERELPUSA-N	568.728	5.494	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)c2C)c1	100123753	XWTPZPICRQXNOV-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCc1ccccc1Cl	100226528	KJRKJMXJTOUVPO-WYMPLXKRSA-N	540.810	5.748	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCC)c(OC)c3)nnc2-c2ccc(Cl)cc2)cc1	100852026	BZEIEDMINMCUDH-OCSSWDANSA-N	566.083	5.636	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1	100853422	AJKHSVFWKPQYSG-STBIYBPSSA-N	540.476	6.272	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(OC)c1OC(C)=O	100859971	SIPNWTSEJCIPFV-OMCISZLKSA-N	553.390	5.686	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	107641501	OJVWLNTVHHQJBP-RCCKNPSSSA-N	568.496	7.539	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](P(=O)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	118922907	CIDIPMDBMBDYOH-MACLLGPDSA-N	570.842	10.411	50	40	KKGB	
CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341501	SYYMDTINEAAYAS-LLVKDONJSA-N	950.290	13.507	50	40	KKGB	
CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341769	PHABHILYSJJUIC-KRWDZBQOSA-N	734.410	12.036	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	164732737	PBTIDAADHUPXKB-NVNXTCNLSA-N	659.987	8.406	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408538898	RAXHOKSRQIYLMZ-ICUTVXMZSA-N	663.682	9.527	50	40	KKGB	
COc1cc(COc2ccccc2/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1	408539855	ZNHHUNCDUJIRFA-TURZUDJPSA-N	504.586	6.077	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550892	IBYBDHHPCCJKQE-PXNMLYILSA-N	670.718	7.213	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408565898	CFRBPYIAJOICKW-CHHVJCJISA-N	572.188	6.778	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408567985	RFTYFRLEIMDHRC-LQKURTRISA-N	518.367	5.782	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1C	408637324	IJYNPFAECXPRKE-RLWLMLJZSA-N	540.443	6.526	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1	408637956	OIVPRYGUDWKUHH-KDYSTLNUSA-N	568.497	7.206	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408641688	LBMXAEBAWWOTCI-CZYKHXBRSA-N	708.812	5.783	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1	408646185	TWKRBLQRYULBJE-YVSFHVDLSA-N	635.111	5.295	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408676189	AIYPNGMAMCVDLO-BQLFOJHWSA-N	646.119	5.237	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1	408677182	PUMFHIYVGYMTTH-LQKURTRISA-N	522.399	5.090	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(C)cc3)c2-c2ccccc2)cc1	408741337	PEOHFNORTRLODQ-QCFMCPCVSA-N	527.624	7.060	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)ccc1I	408747624	QOIHUBDDEIPRNX-UVHMKAGCSA-N	637.215	5.119	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)ccc1I	408748181	ZONBPAGQVRYMEL-LUOAPIJWSA-N	573.189	6.089	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OCc1cccc2ccccc12	408749404	OCCKNAJMYGSIRY-OKCVXOCRSA-N	629.292	6.949	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(I)c1OCc1cccc2ccccc12	408749646	RTAGTQIXNHMUTM-WCMJOSRZSA-N	659.318	6.957	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408758272	HZXCUEAPXAEBCG-MZJWZYIUSA-N	603.520	5.043	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(Br)c1	408758534	LYUVSFORPGFWRS-LSCVHKIXSA-N	616.107	6.970	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1cccc2ccccc12	408759436	DZOVSOMHEVAPMJ-HMAPJEAMSA-N	653.314	7.730	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1	408788252	DBLGSWGITRUSSK-NVNXTCNLSA-N	536.293	7.567	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	408792372	AXLLSZCKHMZVJE-FYJGNVAPSA-N	641.418	5.899	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(Br)cc1	408795570	MBLJLUDQLMOGQY-CIAFOILYSA-N	584.308	7.352	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1	408796504	PDZFEXVYNNEZKC-YBFXNURJSA-N	652.245	6.722	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798215	VDLFUTOFBWHBTQ-LFVJCYFKSA-N	665.325	7.757	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)cc1	408807071	BWFMYMSDGMTLFK-GRSHGNNSSA-N	529.793	6.053	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1cccc2ccccc12	408821107	CNMLKTVGQATWCP-TURZUDJPSA-N	575.064	8.205	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)Cc1ccccc1	408838902	JWXVIERKOHDXSA-XZYGTATASA-N	657.104	7.026	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc2Cl)cc1	408856312	BVJKEFAHXJCEFF-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(F)cc1	408857715	PKGCMDHMYKLYGQ-KVSWJAHQSA-N	540.216	6.637	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(Cc2ccccc2F)c(OC)c1	408869745	SZLOHEDBVNVYBA-UDWIEESQSA-N	540.376	6.138	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1Cc1ccccc1Cl	408871390	YQCBOAVZSWHQQP-UDWIEESQSA-N	509.389	6.315	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1Cc1ccccc1F	408873614	TVOIVCKZOXSVTC-YBFXNURJSA-N	527.821	7.085	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2ccccc2Br)c1	408878604	AYLWLQFYFXWSAX-XDHOZWIPSA-N	511.803	6.544	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(=O)c1ccccc1	408880834	IZMNKJHSMCYNGC-WOJGMQOQSA-N	506.312	5.431	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1	408882634	RLSXYGAHLLBZSL-VXLYETTFSA-N	552.381	5.808	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1	408889663	IPVYEPHNYWMQJZ-WSDLNYQXSA-N	549.421	5.986	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Br)c2)cc1	408890936	IQIGZYYXGNQPBE-LDADJPATSA-N	542.227	6.345	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1O[C@@H](C)CC	408905201	VBDDANYFAAKREJ-RTNLCPHNSA-N	504.337	5.443	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408906009	AEODKYROMZKGDD-CIMVZPIYSA-N	558.462	5.779	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1cccc(I)c1	408922895	HLRSOUKQHQQFEW-VFCFBJKWSA-N	698.520	8.333	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccc(Br)cc1	408923647	JWKWHSZADRRKGQ-RPPGKUMJSA-N	644.101	6.168	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408964569	VHFWYWJIFGAGGU-DZHNLUAPSA-N	619.343	5.966	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(C)C	408969410	NGXHSOWEWLKUIU-VZHKAVGASA-N	600.543	6.072	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl	408971630	KNPONUNLSMOPON-QHCDQGGZSA-N	586.516	5.949	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1)c1ccccc1	408980912	UHIJEFSAFPRFSV-BGEOKWEGSA-N	554.441	5.364	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1Cl	408986089	ZMUVWOYPZFWECD-JJFYIABZSA-N	657.733	8.293	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(C)cc1	408997260	MIULZMKMQOEQGK-FMFFXOCNSA-N	551.599	5.638	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	409025850	YKGIWSCCKIWRJL-BSAWEUQCSA-N	599.540	6.498	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1	409060160	YAYUOFWUDTXFES-DEDYPNTBSA-N	548.393	5.107	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCc1ccccc1Cl	409076097	XTSMYHSYMDBWTJ-PXLXIMEGSA-N	507.417	7.245	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1	409093351	YWTYIXBAIPAXTJ-RIYZIHGNSA-N	529.292	6.156	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409115246	HUNYIFFFGJEMIA-KKMKTNMSSA-N	585.853	5.218	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409122730	BFIHMZRTAFRNLK-VTNSRFBWSA-N	567.086	5.849	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409136294	SGZHFOGAYPENIZ-ATZGPIRCSA-N	768.855	6.640	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C2=C1CCCC2=O	409136749	VDBIIAPFOBHNEJ-JOCHJYFZSA-N	533.253	6.065	50	40	KKGB	
N#Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc21	409141517	KCBOOJAXXFPXSR-GCJGONDWSA-N	571.036	5.107	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl	409159861	VLFHENYHYJFMKM-FJEPWZHXSA-N	548.854	6.494	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1	409184006	HQYAFQOTOHIPII-UQRQXUALSA-N	563.598	5.157	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc5ccccc5c4)c(Br)c3)cc2c1	409185517	ZRWYWYCXSADIBI-ZMGVVAQMSA-N	622.313	7.853	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Br)cc1	409199412	CYOWADCMYXYAAG-ZDLGFXPLSA-N	544.199	6.772	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409219408	QDDIFWUQLAWSCG-UHBFCERESA-N	587.932	5.392	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)c1ccccc1	409224436	LLQIPUYCQXIZGQ-UHFFFAOYSA-N	551.555	5.049	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccco2)cc1	409227676	ZPBDNJNNJVIFDN-MNDYBZJGSA-N	552.370	5.830	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccccc1F	409243208	QLMVBHISFKOQKE-HMAPJEAMSA-N	523.402	5.832	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409245144	OAZJVIMYGHPESV-AIRTYWKNSA-N	550.409	6.119	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	409248243	CXTPPWWDBRPRBC-QORIIEMTSA-N	561.263	5.838	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409257841	QNVUDKLRPODFHC-DBFSUHOCSA-N	534.827	6.135	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)ccc1OCc1ccccc1	409265824	VXIVGGGUTGIXKA-FZKWRIDDSA-N	616.512	6.517	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(I)c1OCc1cccc2ccccc12	409359219	AHOQZRBFALFWOO-UXHLAJHPSA-N	564.423	6.115	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(F)cc3)c(OCC)c2)cc1	409361252	BTQBZKVKSYQVMG-CPNJWEJPSA-N	537.975	5.840	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(Br)c2)cc1	409369999	JBVABKYNBHVSSR-XMHGGMMESA-N	550.409	5.420	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	409372679	GHLWKGXBNOWUOE-WKULSOCRSA-N	564.392	5.871	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccccc5F)cc4)cc3)cs2)cc1	409383548	ZSZMLRDDACQNJI-HQDYHJHZSA-N	579.657	6.783	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396500	UDUPIRBCNBDXMT-UHFFFAOYSA-N	700.542	6.922	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397310	IMLXMGIPEAQCFE-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397682	MRZBOXSSVSHXCL-UHFFFAOYSA-N	598.055	6.887	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397765	NVOGXLUDZKBVRU-UHFFFAOYSA-N	685.789	8.939	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409399103	XTYFWZVKCKVBTE-UHFFFAOYSA-N	628.037	6.226	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(Cl)cc1Cl	409402571	WVESZUSMKDWNHM-UHFFFAOYSA-N	618.517	7.924	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409403479	NCUMURKYGJJFLL-ZQDAKBDFSA-N	652.542	6.522	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409403586	NMAZDRCYIJQGDQ-UCMJSZAQSA-N	517.585	6.195	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1O[C@@H](C)C(=O)OC	409405681	UMTZQZDVDRNASD-LIZYOPNSSA-N	638.515	6.132	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1c[nH]c2ccccc12	1749625	OMHOKDAHDRMQNT-RWPZCVJISA-N	531.439	5.421	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1	2428176	GWCJPYWLOGXDOJ-FNBPXTNNSA-N	512.393	6.197	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)c(OC)c1	2589251	SKGREULOPVNQAW-WKULSOCRSA-N	552.056	5.164	50	40	KKGB	
O=C(N/N=C/c1c(Br)cc(Br)c(O)c1Br)C(O)(c1ccccc1)c1ccccc1	3025600	ZUWSOZJABKWYCU-BRJLIKDPSA-N	583.074	5.066	50	40	KKGB	
CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1	3241881	YARFHPCVJBJHCL-BIZUNTBRSA-N	581.525	6.585	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1cc(Cl)ccc1O	5580221	JEJHIQISUMSFHM-HDDKTPPPSA-N	558.986	5.771	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1Cl)N2	6074186	XMQITQVBHLNMNB-QIEDNPPQSA-N	547.891	8.143	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(F)cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136354	CIRAHYIPODMSEK-PDDXABJKSA-N	529.977	6.689	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1[N+](=O)[O-])N2	6445674	WBPSLDSHGDXHBE-KBNSAFIFSA-N	525.970	6.240	50	40	KKGB	
COc1cc(/C=N\NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3cccc(C)c32)ccc1O	36624816	NHENLJLMOIAOHV-HWIUFGAZSA-N	503.602	6.538	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1	59305450	SOUVNMSCMDRTPS-RWPZCVJISA-N	502.368	5.708	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)ccc1OCc1ccccc1	59436914	PCURMFFYUJLEIB-BIZUNTBRSA-N	508.643	6.618	50	40	KKGB	
COc1ccc(C(=O)/C=C/c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)o2)cc1	97982965	XFUBOHBVBKTGQU-WCWDXBQESA-N	503.558	6.678	50	40	KKGB	
CCCCc1oc2ccccc2c1C(=O)C1=C[C@@H](I)[C@@H](OCCNCC)C(I)=C1	100016913	KIFXWKABTAJKBU-UZUQRXQVSA-N	619.281	6.015	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCc1ccccc1	100062837	DFZJVUVWSGGEIF-WGARJPEWSA-N	579.232	5.334	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1C	100124720	AFKMDIHEOSVMTM-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CC(=O)n1cc([C@@H](C[N+](=O)[O-])SS[C@@H](C[N+](=O)[O-])c2cn(C(C)=O)c3ccccc23)c2ccccc21	101036029	ZEWNRSGIQZFDRO-PSWAGMNNSA-N	526.596	5.633	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1Cl	101563558	ZJUKAKYXYPQKPA-MHZLTWQESA-N	572.130	7.034	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	102229865	LKQSBIANDAZCTR-MHZLTWQESA-N	592.946	7.362	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	102812578	AQVWNGLUGOPVIC-DEOSSOPVSA-N	526.489	6.739	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	103794540	CPVMDAXDDJCQGG-JRZNSJKLSA-N	622.681	7.379	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(Br)cc1	104401935	PVYTWQCFHAGEBW-RPPGKUMJSA-N	597.101	6.326	50	40	KKGB	
CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341412	LUUYUJHWTUHFEU-SECBINFHSA-N	972.243	13.362	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	150434372	DKCUFYMGCPOQLU-ZHQYQSJASA-N	660.104	7.547	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(I)c1OCc1ccccc1C	150473465	HJNUCPIEPHLISK-VXLYETTFSA-N	640.827	7.795	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	150485574	BITUMXIKALQMHA-KPGMTVGESA-N	660.536	5.672	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1	408538363	LODXBQOVJTXITL-ITYLOYPMSA-N	569.057	7.451	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc2ccccc2c1	408547884	AMYWAOILCAPCPP-WGARJPEWSA-N	524.845	9.052	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408551835	GLTPGTWBJBJQLI-RAWMCFOBSA-N	521.744	5.336	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552962	MDHROUIFVFPKMD-WOJGMQOQSA-N	552.881	7.039	50	40	KKGB	
Cc1ccc(NC(=O)Cn2cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c3ccccc32)cc1	408555191	WDZSWYYWUUUYGG-XSFVSMFZSA-N	519.630	5.946	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408580267	BQAJRGMEEPSXPU-GIJQJNRQSA-N	519.222	7.416	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccccc1Cl	408650463	FRMMYRDUHMPFAI-FZFHUJAASA-N	610.925	5.255	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21	408651582	NNHORCPRWUESGJ-QTLGSODGSA-N	533.839	5.428	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408657106	UBIDWKPIWJKRQE-LVCYWYKZSA-N	556.273	6.060	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408671951	UOJJPVLYOKLNDP-WLVWHVFCSA-N	638.740	5.033	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408731046	IMUFJKLKAFVQAA-BVMLUPFRSA-N	573.472	6.112	50	40	KKGB	
C#CCOc1c(I)cc(I)cc1/C=C(\C#N)c1nc2ccccc2n1Cc1ccc(Cl)cc1	408733524	YXSJMRMKJLZANQ-XDHOZWIPSA-N	675.695	7.023	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1	408744536	LXFRUSPIQCKMLK-BKUYFWCQSA-N	502.368	5.844	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1	408745889	WETRSKYTIAIFNT-ZDLGFXPLSA-N	607.673	7.140	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408777910	LSEFURHXUVJIIE-DHDCSXOGSA-N	587.770	6.656	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(Br)cc1	408786242	MVYFHYYGEQSZML-WQRHYEAKSA-N	621.244	6.716	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(I)cc1	408788470	KGQFVPMCQNYZMB-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(I)cc1	408795107	KFFQGGNTNBZLRD-WOJGMQOQSA-N	574.802	6.174	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408798896	XMUOQVVMVHJPMR-LZYBPNLTSA-N	536.640	7.534	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408799283	YNULVIFKVXSGNZ-MHWRWJLKSA-N	581.091	7.643	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408824638	IQYFRSVUXFJTLM-WGOQTCKBSA-N	587.503	8.404	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408825171	RPKUVQGULOXLAM-UFFVCSGVSA-N	707.235	9.775	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408832203	XEGBRVANWWKXLH-AMVVHIIESA-N	597.307	6.906	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	408833674	SAZBJENHMUZGFF-BJUCDSOZSA-N	619.021	5.432	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OC(C)C	408836496	RVGAGWLBGFYENV-OEAKJJBVSA-N	505.014	6.959	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Cl)cc1OC	408841702	GWJOTNKNRKXKEH-IPPBACCNSA-N	541.460	7.032	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408841796	HPLDTKSJJNNXHZ-WCMJOSRZSA-N	565.482	7.035	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)ccc4OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)sc2c1	408848269	VLBVPJFBQVLLJM-AABVJFSESA-N	691.947	7.769	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408856050	ANFMSTWKJBIUAO-HFRGLDNTSA-N	649.169	5.259	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408860635	AQWATCRHQJWUST-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(C)(=O)=O	408863380	NRADQCISUDXKGH-OCSSWDANSA-N	536.053	5.297	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408872039	JKBHROSJZKGLSO-XZYGTATASA-N	664.622	6.616	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408874532	DHBONKZZGAMCTH-AABVJFSESA-N	644.418	8.541	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408877867	VCGLZEXJDFRYDX-CXUHLZMHSA-N	525.741	7.790	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)c(Br)c1	408878406	BCXVWHATWINHFG-GXDHUFHOSA-N	520.608	6.979	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408878628	ADSULLSQGVFUHG-APTWKGOFSA-N	604.729	5.082	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1Cc1cccc(F)c1	408883806	QTLCKLMMTXDZKT-DJKKODMXSA-N	574.821	6.927	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(I)cc1	408895004	KCOVNOKTPUPYBP-CXUHLZMHSA-N	583.640	7.376	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(F)c2)ccc1Br	408904948	QXDDDKFDXYXOHR-ZRGSRPPYSA-N	535.211	6.394	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)NC1CCCCC1	408919538	ASYVKVNBVNTMHR-LZYBPNLTSA-N	681.139	7.137	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(OC)c1	408922905	HLQXBBZKSPILDM-ORLKAMQQSA-N	664.546	5.725	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1cccc(C)c1	408926734	XWKRCVMKFPUMJF-VXLYETTFSA-N	570.827	6.843	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OCC)c2)c(OC)c1	408953081	LNLZQPDEFHGFHW-XZNIKZDNSA-N	701.176	6.200	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408959971	BEXMKOMGPPGTHT-LUOAPIJWSA-N	699.093	6.814	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408963681	AEZUIGHRWAGDOL-PNQUVVCRSA-N	520.775	6.399	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408968864	CICRKXKCBAPICB-MUFRIFMGSA-N	532.493	5.632	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccc(Br)cc1	408970124	BCFAOUFAKDPJFH-RWPZCVJISA-N	523.383	5.946	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Br)cc1	408979792	ONTDBLHHLYEEID-IFSBUVSJSA-N	543.465	5.868	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Br)cc1	408989708	LNSJGOXIYVJOMF-WQRHYEAKSA-N	560.673	7.298	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc2n1Cc1ccccc1Cl	408992111	RZOIWDRVHYAXRL-OTEQHGRUSA-N	569.065	5.362	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(Br)cc1	408995662	DAUFGCSVWYRAEH-HNSNBQBZSA-N	600.469	6.392	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	409003532	SMYUKZZUXKHCEV-FPQJKWOGSA-N	525.584	5.118	50	40	KKGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	409012521	IOEZHZUQAHKTFV-JJBFSQJVSA-N	540.447	5.203	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1cccc(C)c1	409018761	UERWEDKYVJDXBD-ACXHZZMFSA-N	503.986	5.703	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1cccc(I)c1	409046933	LNQYNKCKCWMNPO-MNBJERMJSA-N	570.434	6.678	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	409048277	NXWUIZGCTSVGLI-YDDOSXMHSA-N	641.467	5.877	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OS(=O)(=O)c1ccccc1	409073890	JFNUKHDCQBTZDN-DEDYPNTBSA-N	602.450	5.620	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1nc2ccccc2[nH]1	409089889	KWBGANVEDGRCKJ-NTUHNPAUSA-N	585.168	6.761	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c2ccc(F)cc2)cc1OC	409121180	WVUBIKLURCSVMB-XJECJHNESA-N	721.001	6.192	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409134941	OSTWSZKPEBZETJ-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12	409141729	BMZRXOYNWHJUHD-ZGGQCMCWSA-N	625.468	5.797	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl	409183707	FQNHBMKAHKTKDK-KCSSXMTESA-N	642.959	6.279	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4F)c(Br)c3)cc2c1	409188408	YZRDXBSZSKSCEB-DBFSUHOCSA-N	545.792	6.729	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)c1C	409222477	DCTFSKHFXHSSID-XDHOZWIPSA-N	538.829	6.283	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc(OC)c1OC	409224851	MREBQIZQLBNPLE-ACXHZZMFSA-N	568.026	5.334	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(Cl)cc5)(c5ccccc54)[C@@H]3C2=O)cc1	409227225	UMFPQVVXYJWKHZ-JPMMUQAJSA-N	546.026	5.615	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccccc1	409242122	MHQAEFPRTYXSMB-RIWZNOJBSA-N	552.368	5.353	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccccc1	409245997	CHTQIMNZDPXDTE-WCEBZYJUSA-N	553.356	5.563	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409250242	MTPYZPWLGYZCTO-RRAHZORUSA-N	568.515	7.092	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1	409251309	UVIUFVSJTOPKBU-OXUBWTJQSA-N	544.291	6.528	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)ccc1OC	409313234	PAPWGPOFRLPSHM-QDTIIGTASA-N	596.703	6.615	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)ccc1OCc1ccccc1	409317107	OWMXVXJKUCRABZ-FZKWRIDDSA-N	648.510	7.077	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409318325	UTYFCXLHELBNKW-SFTDATJTSA-N	562.475	5.119	50	40	KKGB	
Cc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1	409322125	KQUPCTIACQKRIU-KRWDZBQOSA-N	549.288	5.539	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCc3ccc(Cl)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409326008	FOFPZNZKOUPRFF-MOPGFXCFSA-N	560.286	6.370	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1OC	409360193	DDKYUVSHRMZHOX-QDTIIGTASA-N	690.703	5.838	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409361324	CIEZSRBNYRGIGS-WQRHYEAKSA-N	538.373	5.468	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409363360	LIVIXOWDMXMNGO-ACXHZZMFSA-N	704.302	6.092	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc2ccccc12	409372249	UNAUKUNNRXGZAV-QRVIBDJDSA-N	576.390	7.394	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3cccc(C(F)(F)F)c3)[C@H](OC(=O)c3cccc(C(F)(F)F)c3)C(=O)O)cc2)cc(OC)c1OC	409382617	VHFKTFAPXOZHMW-WDYNHAJCSA-N	821.636	5.299	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccco1	409395435	NMJLEVGDJYZAKD-UHFFFAOYSA-N	676.148	8.243	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409396684	ACJSNNSMSRIHJJ-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)c(-c3ccccc3)c2c1	409397110	GHTZZCURPPDXBX-UHFFFAOYSA-N	517.585	6.525	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OC(C)(C)C	409400826	FPVNITTWWLDENU-BJUCDSOZSA-N	628.951	7.632	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OC	409401507	HHUUECOOVRWWFW-MWLSYYOVSA-N	532.553	5.346	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409406025	VTEZGVCENOIHLD-GYJUCFALSA-N	737.376	7.417	50	40	KKGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409406625	XHWKVTYSBSGRNR-LQNQUEJISA-N	501.970	5.695	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	1529545746	BCMRYLWWQHMVLL-HVJLQFNCSA-N	692.021	6.119	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	1529547991	UUADTUWPRYNZMG-DMFIQNIRSA-N	746.478	5.684	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	1529548615	JZZUPUZRMHNGHR-DLVDTJDKSA-N	750.499	6.619	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1	1529548750	NDUNNSQAJPIQTL-BVIORAGMSA-N	716.054	5.965	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	1529549272	WXCXTMZFDNKGPB-CKMXFPERSA-N	740.891	6.873	50	40	KKGB	
COc1ccccc1-n1c(NNC(=O)c2ccc(Br)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2	1747641	DHMKZDGRLMNXIB-UHFFFAOYSA-N	585.502	6.186	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)cc3)nnc2-c2ccc(Cl)cc2)cc1	1825332	IVAJHCMAKMCHDR-LQKURTRISA-N	506.031	5.537	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc12	1836642	MNCUOSJLCNWEKE-LPYMAVHISA-N	515.363	7.162	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(OCc3ccccc3)c2)nnc1-c1ccc(Cl)cc1	2330745	AOLSTYQIRCYULH-MUFRIFMGSA-N	536.057	5.448	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1c(F)cccc1Cl	2695899	GMSPECFQBQGUIZ-UVHMKAGCSA-N	544.837	5.732	50	40	KKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	3102939	MRVXGEZVDFMKPK-XAZZYMPDSA-N	599.254	6.285	50	40	KKGB	
COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC	3871673	IIWOUNLDWKZMQI-UHFFFAOYSA-N	590.944	6.265	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)C(C(=O)Nc3ccccc3C)=C(C)N2)c1	8429886	KTIBEIHTNBZEQV-NDEPHWFRSA-N	542.636	5.849	50	40	KKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@@H](c3cccc(OCc4ccccc4)c3)CC(=O)N2C1	12251016	RHQAVEYCFPGBTD-HSZRJFAPSA-N	502.039	6.447	50	40	KKGB	
COc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(OCc4ccc(Cl)cc4)cc3)CC(=O)N2C1	12251094	GPUMHMZOLJXSHB-HSZRJFAPSA-N	518.038	6.147	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1	12555896	RVCNZAZAXIFJJG-LDADJPATSA-N	508.328	5.491	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	14152159	CHBLHGQMUXRNTG-CPNJWEJPSA-N	518.436	6.386	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(Br)cc1OCc1ccccc1C#N	18173398	VZROIHLWGFLSMI-VXLYETTFSA-N	506.331	5.593	50	40	KKGB	
CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)c1	26842267	GHBXJJKEEFPESR-HKWRFOASSA-N	511.632	5.463	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1Cl	28217718	ZRZVBPFFMFWMFE-UVHMKAGCSA-N	517.807	5.528	50	40	KKGB	
CCCCCCOc1ccc(/C=N\NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OC	31783548	VDCBAAQPBQATJE-UHBFCERESA-N	518.639	5.243	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)c(OC)cc1Cl	33354541	YDBDSLBIAALHEN-HHHXNRCGSA-N	595.146	6.434	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1OCc1ccccc1	59646382	RPVFZGAEWQGESU-HSASTMCKSA-N	551.668	5.812	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H](Br)[C@@H](Br)c2ccc([C@@H](Br)[C@H](Br)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	95100214	KYMFIPAQSHDSRX-CIAFKFPVSA-N	781.990	8.464	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(=O)OCc3ccccc3)=C(C)N2)cc1	97999376	NVXFCDZSZYUWIQ-NDEPHWFRSA-N	560.075	6.160	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	98048683	GCQUKQAJAFVRMV-GDLZYMKVSA-N	538.673	5.964	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)Cc2ccccc2)cc1	100070369	HOQXFNYAHPCWCV-FZPRHHONSA-N	626.566	5.701	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	100126261	PPLZMBMXNBHSLI-KVAAJVFYSA-N	603.066	6.420	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)CC[C@H](O)c3ccccc3)c2-c2ccccc2)cc1	100211759	KGHCBIYCTOLZRN-WTEQXNNISA-N	571.677	6.952	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1	100935136	WPBUBAQYARVCRT-SMUUJSCJSA-N	546.026	5.615	50	40	KKGB	
C=C/C(=C\C=C(\Cl)CCl)NC(=O)NCc1cccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1	100977379	XNFFAKRHSJYNOJ-PGUOUAKWSA-N	528.267	6.546	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1	101749874	CTSULOXICYGHKM-UHBFCERESA-N	533.968	6.465	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1	103884840	RBRQRIYMJVLTDE-JWGURIENSA-N	547.409	5.192	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2	104952119	WHTIXEXXCRDPPT-RQZCQDPDSA-N	587.326	7.693	50	40	KKGB	
CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341300	DUPZSEZXRHMVFP-ZETCQYMHSA-N	844.175	11.311	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342054	FRRFABCMVPDMCU-REOHCLBHSA-N	842.037	10.293	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cc(Cl)ccc2OC)cc1OC	150474288	RNUJSECYHGOYKD-AABVJFSESA-N	680.010	6.426	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	150481211	GUDXRLOBLFYNCE-CHSHITCJSA-N	760.121	6.972	50	40	KKGB	
FC(F)(F)C[C@H](I)CCCCC[C@@H](I)CC(F)(F)F	169795319	JVCGYJHSVPVMOO-RKDXNWHRSA-N	516.045	6.449	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)c(C(=O)OCC)c1C	408546417	JCWBTLPTEVOHKU-ZVHZXABRSA-N	676.585	7.632	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCC(=O)Nc1ccccc1	408551120	BOMWMUKUHKTFHL-XDHOZWIPSA-N	605.514	6.223	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552088	HETPIMCVTCBDQW-OVCLIPMQSA-N	609.691	6.981	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(Cl)cc1	408552934	LTINQLWIXMWYTA-YBFXNURJSA-N	552.483	7.329	50	40	KKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1C	408568479	JPNHFBWEFULMMW-MZJWZYIUSA-N	500.089	6.064	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccccc1Cl	408569974	RHEVETKPIKJKCL-PXNMLYILSA-N	512.766	6.770	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408570202	SRGDUNPJTJOYIW-XODNFHPESA-N	761.401	6.391	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408607094	BRSJPPAKGHBZNC-KPGMTVGESA-N	542.463	5.861	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1OCc1ccc(Cl)c(Cl)c1	408608077	OKGBROSVJGPPHM-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1OCc1c(Cl)cccc1Cl	408610399	TZPKNAYHWVUCIN-KVSWJAHQSA-N	520.800	5.632	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408641627	KSGGDEGRFOMWFC-WVXKDWSHSA-N	610.730	5.281	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1	408645563	SLEXOLYWNJTGTG-ZYGGUILKSA-N	617.121	5.156	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	408681885	JQSAPPVZCTWQMQ-CTNGQTDRSA-N	533.172	5.902	50	40	KKGB	
CCOc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccccc4)(c4ccccc43)[C@H]2C1=O	408730282	GTECNILOTLIFGO-ZEFGQEINSA-N	541.607	5.052	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NCc1ccccc1	408748073	XYOKBLUUPBDAQO-GRSHGNNSSA-N	526.774	5.813	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccccc1Cl	408755123	MMYFKXZDZGKPOO-ZDLGFXPLSA-N	637.699	7.230	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408759206	ZTRUIXRLGWUZAN-NDENLUEZSA-N	552.255	8.034	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408787560	BVTVSYSYEKXNJW-CIAFOILYSA-N	579.403	5.457	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1	408820699	ZHGVZZXYXBXWQQ-CLHYIUPASA-N	715.389	8.034	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408823422	FGXLQEXNEBCHLJ-AFUMVMLFSA-N	621.948	9.058	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408829171	ONTOHUSYWCKMOX-ALQBTCKLSA-N	650.595	6.308	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCc2ccc(Cl)cc2Cl)c1	408837048	YGICYMSUTFSSAS-OEAKJJBVSA-N	593.894	8.359	50	40	KKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC	408837124	ZALUSINCHLUXER-UDWIEESQSA-N	559.877	7.959	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838745	HTHXMFRUGGPGCS-MHDJOFBISA-N	662.953	8.221	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408840859	CLLWJDULNWFLHJ-PTEHHBOZSA-N	734.555	8.475	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842301	KDDLQVOSLXNTHE-PTEHHBOZSA-N	822.748	9.680	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408844378	NYSMLYHYBWFYHD-AABVJFSESA-N	648.528	8.120	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)cc1	408846482	NOXUZQIJSRJLED-VHFSBPNMSA-N	598.486	7.831	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cccc(Br)c2)cc1	408860691	BZZXVZKIHFJDRJ-DPNNOFEESA-N	669.985	5.774	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1	408864865	ARFUIKKIWBKPBI-LICLKQGHSA-N	520.641	7.546	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccccc2F)cc1	408865174	BHQUUAJSZJJNRQ-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)cc1	408870840	UUSWFSLJUQMEJU-STKMKYKTSA-N	570.671	5.203	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Br)cc1	408872985	QHTNJMDZVAGVMP-LIFJFEPXSA-N	564.318	6.466	50	40	KKGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OC	408878636	CLGKLEDVKYPBEH-WUXMJOGZSA-N	559.052	5.845	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1	408889743	GQUUHXUYYFRNNK-VCHYOVAHSA-N	586.826	6.543	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2C)cc1[N+](=O)[O-]	408890698	XUBMDIMAYKXQGY-VVEOGCPPSA-N	556.570	6.222	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408894113	JDFMLQJNTUAWIS-HNSNBQBZSA-N	593.905	6.466	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c(Br)c1	408897329	RMYRMONXVFSSFS-HMMYKYKNSA-N	590.271	7.438	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1cccc(F)c1	408904021	CKMJUASHTBFBDC-PPDIBHTLSA-N	565.237	6.402	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OC(=O)c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cc2)cc(C(C)(C)C)c1O	408922693	GBCIFSOEFDRJLA-HOKWUGLCSA-N	704.871	9.567	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)c(OC)c1	408951457	IVZPVZUKPIKKJA-UIGQDENISA-N	715.985	5.419	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccc(N(CC)CC)cc2OCc2ccc(Cl)cc2)c(OC)c1	408951948	JIYIWUWMASLAHR-MPZKYCQLSA-N	678.186	5.494	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)c(OC)c1	408958169	XLPUGTDWHPSWEH-CJPARAFHSA-N	669.106	5.186	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408971662	LENVEFORJCCVNK-FAILIVOPSA-N	778.325	7.751	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccccc1	408979312	MKDMYYRXZWLRIO-UJEJHLKSSA-N	549.425	5.227	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408983040	JUKJKWXRJQFVGW-LSCVHKIXSA-N	594.720	8.241	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409004419	CSARUZUOXSDQKW-QQMURXAZSA-N	565.538	5.205	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409016796	JFIDUCGIKSZUOY-BCHBDCPOSA-N	607.642	6.862	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N\NC(=O)COc3cccc4cccnc34)cc2I)c1	409017103	WPQJDTVNUGUKPD-CPDSRJINSA-N	677.280	5.861	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409047344	OJMUYCHUBYGCOJ-RGVLZGJSSA-N	630.258	8.508	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c1	409068306	RSOCBADGHWVPHH-MHWRWJLKSA-N	521.809	6.269	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCc1ccc(Br)cc1	409075371	XOZRFJXUEQJCLU-LFVJCYFKSA-N	575.459	6.488	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccccc1Cl	409087021	ABJRLDYDUJCUMD-NTUHNPAUSA-N	556.711	7.912	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409087366	CGPQYZXBPCUFSV-XSFVSMFZSA-N	567.520	7.087	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1	409149265	ZXPSJQWUWADZRT-AREMUKBSSA-N	580.523	5.809	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OCC)c2)cc1	409160019	PBPIFOSOLDRLOM-FABQOPTDSA-N	700.574	5.900	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	409163949	ADRUKFOFKZJRRI-FJEPWZHXSA-N	617.884	5.006	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409194035	MQJFRGOHBYUVJH-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCc1ccc2c(c1)OCO2	409198114	XNHRYBSOCGSSCX-FSJBWODESA-N	541.401	6.133	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	409215081	ZONUZSMKZXQJHR-MUFRIFMGSA-N	540.041	6.197	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409222542	DZCKIKMVYVOTCT-ZZKFQHRISA-N	657.433	5.721	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1	409222706	DJSCVZNJLHEVAH-UHFFFAOYSA-N	625.306	7.300	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1ccccc1	409232561	REKZOOWQJCRXSV-RIWZNOJBSA-N	505.368	5.511	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409254696	FLEPTBWNUJOPMH-FDVSRXAVSA-N	601.441	5.097	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1	409260057	KAWFDNFYMWVYMP-JAIQZWGSSA-N	552.414	5.960	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)cc1OCC	409315180	IAHMBFKWJKKVTC-NUJZUDFISA-N	620.294	6.050	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409370487	RQWXYMCLLKFITD-IPBVOBEMSA-N	592.159	6.470	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(I)cc1	409370941	FHYIXJRSTLKPQL-MFOYZWKCSA-N	629.517	8.113	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409374735	XWRAJDIIPKLASN-WQRHYEAKSA-N	549.400	6.253	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)c(-c3ccccc3Cl)c2c1	409395560	PAQKQLGFUNWNSJ-UHFFFAOYSA-N	709.822	8.704	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409396598	ZFTBICCLQIINIC-UHFFFAOYSA-N	714.183	8.245	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397291	IJDXOUPGKFEFKC-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397608	LUQFPYASBBEAQD-UHFFFAOYSA-N	635.042	7.565	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cccc4c3-c3ccccc3)cc2OC)cc1	409397717	NDGZMDIGWYAHPA-UHFFFAOYSA-N	533.584	6.144	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398649	UZOVPSRFPHJGNP-UHFFFAOYSA-N	666.945	8.194	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409400006	AVUGDDIDJIKUBH-WBIBEUCMSA-N	655.549	7.118	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1O[C@@H](C)C(=O)O	409403324	ZNCVCNUAAMJZHI-CZEFVEKGSA-N	566.010	5.544	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	1241565	NMIQBCLCFCFIGG-AREMUKBSSA-N	514.676	6.072	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	1812983	RSCJTPNRBIJMJQ-ODCIPOBUSA-N	514.441	5.288	50	40	KKGB	
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1	3086417	OPEMJVZYNJBKEU-RPPGKUMJSA-N	521.198	5.781	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1	4062710	LKRCWGJAHJTFQD-RPPGKUMJSA-N	572.282	6.548	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(Br)cc1	4196314	RPKAHNZONFTGSJ-LZYBPNLTSA-N	568.092	8.170	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C(F)(F)F)C3=C(CCCC3=O)N2)c(C)c1	13174448	JAMNSFYADHHXNJ-DEOSSOPVSA-N	511.569	6.123	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	28627716	AMEZCSACEIBJDS-GDLZYMKVSA-N	522.674	6.264	50	40	KKGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	59383271	DDYVCTKWCMKPHX-LGJNPRDNSA-N	503.849	6.065	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1Cl	59472838	GILDSZTWRKGGLU-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	96933942	RWIUDIFZHJOAOJ-NDEPHWFRSA-N	542.636	5.849	50	40	KKGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)c(OC)c1	96933947	XAZUHDJRWZFONB-DEOSSOPVSA-N	548.064	6.156	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	97951256	YKAWDUNNVDFXTM-VWLOTQADSA-N	506.071	6.339	50	40	KKGB	
O=C(C/C(=C/c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)[C@@H]1C=CC=CC1)C/C(=C\c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97960728	RHAACQCPGMLCSD-SZRHJOIWSA-N	814.990	12.050	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125244	MUCVGHYQTHNCDI-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	102810226	AOHDFKNKDVMDET-SANMLTNESA-N	577.479	6.295	50	40	KKGB	
COc1cc(/C=N\c2ccc(-c3csc(-c4ccccc4)n3)c(Cl)c2)ccc1N(CCCl)CCCl	104094723	IZKAETXUPAJQEY-LJUMEUDFSA-N	544.935	8.174	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1	104954102	MWMVWONSVFLTPD-VIZOYTHASA-N	571.085	8.187	50	40	KKGB	
O=C(CC(=O)Nc1ccccc1Cl)NN[C@@H](Sc1ccccc1)c1cc(/N=N\c2ccc(Br)cc2)ccc1O	150442428	XXVOSMFYUWWEIL-GKSRLEMTSA-N	624.948	7.664	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	150499443	ZFDICYYEFKSZJJ-ZMGVVAQMSA-N	629.522	5.383	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)ccc1O	245228629	ACWUUWIBURCOOJ-OGDWXAOQSA-N	540.745	5.258	50	40	KKGB	
N#C/C(C(=O)NCCNC(=O)[C@H](C#N)C[C@@H]1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1	245241988	VVUXDMIIZAYDGC-MNNNVAMYSA-N	809.801	6.899	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)c3ccc(Br)cc3)cc2OC)ccc1OCc1ccccc1	408540251	PCOWHHKWASXQKW-AFUMVMLFSA-N	635.352	8.451	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)c(C(=O)OCC)c1C	408547128	RNXFJFXRMFLNAE-PCLIKHOPSA-N	567.663	6.861	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550318	CQJBXVUPXJRHET-OCUJFKKWSA-N	800.506	8.954	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408555155	VWXYILYJFHGBHX-OEAKJJBVSA-N	601.559	8.338	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408555873	ZFQUBYGFLTYYQK-LPYMAVHISA-N	554.628	6.269	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Br)cc1	408661442	XCAFHIJXTPXTPW-VJQWSGFBSA-N	673.583	5.121	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408689421	YZJHPOXSZBRXCL-JNYDFHNISA-N	566.677	5.183	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1)c1ccccc1	408728133	WBNPFJSFRCZION-MUFRIFMGSA-N	542.444	5.984	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)ccc1I	408746238	CTNGVWXFFVQXSW-DHRITJCHSA-N	612.205	5.247	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)ccc1I	408748095	YIGQELZWITWSQN-LGJNPRDNSA-N	642.231	5.256	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408790663	QMOSTZJRPPKOHG-SRZZPIQSSA-N	518.356	7.179	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408797408	RNQPCQUARGDNLT-VIZOYTHASA-N	626.088	7.551	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OCC)c2)cc1	408799194	YJKYBCINUSZYLN-DEDYPNTBSA-N	647.307	6.976	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC	408835791	YDOOYAXJGMFLSX-UDWIEESQSA-N	555.845	7.182	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408843381	MAICKTIALKAXEK-IPBVOBEMSA-N	710.257	5.820	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(OC)c1OC	408848850	WKKWOFZXTRUDFQ-CCVNUDIWSA-N	523.014	5.997	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2ccccc2o1	408852798	NONOIOXMWWTIBM-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408860427	VKWWKELSXFNINR-UHFFFAOYSA-N	558.066	6.571	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408890989	JPMRFZLSTJACDR-LHHJGKSTSA-N	571.631	7.986	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)c2)cc1	408924139	LMCTWYRRMBPPRJ-SFQUDFHCSA-N	530.389	5.265	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408933557	BHLAYHWUIHVZHS-ULPWCQAASA-N	574.790	5.778	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1	408947735	OCTCWBVRHCCAQC-DIPNUNPCSA-N	683.834	7.005	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc(C)c3)c(OCC)c2)c(OC)c1	408953026	LHUWVQDDUIRKTP-JRUUSQMTSA-N	756.594	5.306	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)OCC)cc1	408953228	XDBGMOBVXJGHES-LJAQVGFWSA-N	699.613	5.634	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408977095	CYSAKYCZROKIAR-IQZQLMGCSA-N	632.555	6.742	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)Oc1ccccc1/C=N\NC(=O)c1ccccc1	409005415	IMDRFPNDUXFCKH-VMWSCHNCSA-N	524.960	5.942	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12	409006841	QVZLNRQNZDQANV-FJEPWZHXSA-N	560.890	6.141	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)sc2c1CCCC2	409008798	IIYUQZGWKTVWLH-VVEOGCPPSA-N	694.389	7.088	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccc(Cl)cc4Cl)(c4ccccc43)[C@H]2C1=O	409033545	LZGYMZKHPMYFKS-OIMDPVIQSA-N	614.916	6.922	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409039835	WXNZKDJNNPBIIP-AABVJFSESA-N	607.950	8.857	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)c(Cl)c1	409053001	VQZDVFUQZWUWOA-LUOAPIJWSA-N	573.645	6.903	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCc1cccc(Cl)c1	409064245	CTFNDNXIWUJKQB-LPYMAVHISA-N	507.417	7.245	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OS(=O)(=O)c1ccccc1	409064283	CZIJZBOWIAQYPG-SFQUDFHCSA-N	561.841	5.815	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409262883	KLJQTVMVYCAJSC-UDWIEESQSA-N	519.985	5.624	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c(C)c1	409264629	QLGUBYTUPOCYDX-DJKKODMXSA-N	542.850	7.135	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl	409265710	OBSCQWLWFKWGIV-QMRORBIVSA-N	675.008	8.059	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409272486	ZETNOMDIGNOPFC-XJECJHNESA-N	646.556	7.651	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OC	409326728	NJOJYGQIAOFPCV-NUJZUDFISA-N	531.392	5.832	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1OC	409332684	HQPHDXDAQLKKDB-FDVSRXAVSA-N	590.389	5.355	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1)Nc1ccc(F)cc1	409362174	GBRVXBRBMCDGHM-KVAAJVFYSA-N	600.075	7.128	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OC)c1OCc1ccc(Br)cc1	409374415	OZJUBOCSDTVTOZ-HMAPJEAMSA-N	514.423	7.014	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2Br)cc1	409387070	SXIFDJMJTHUACC-KKMKTNMSSA-N	603.292	6.986	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)[nH]c2c1	409392807	SBKCGTWQKXOJGD-MFOYZWKCSA-N	535.354	5.894	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(F)cc1	409393929	TVQQIBLCRXJYFT-NVMNQCDNSA-N	503.286	6.221	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395276	LWETVMTWEUKLTP-UHFFFAOYSA-N	789.522	10.610	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)cc(OC)c1OC	409395644	QEXROAYQXUHEBM-UHFFFAOYSA-N	707.375	7.369	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398166	RJSIMNPNGBMDJG-UHFFFAOYSA-N	630.926	7.941	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)o2)cc1	409405129	SFBTVDRJJRNBEE-QMRORBIVSA-N	677.939	7.933	50	40	KKGB	
Cc1ccc(COc2cc(N(C)C)ccc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409406369	WJMNUKWVMYLSBG-IDWIKUEFSA-N	576.697	6.983	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)OC	409406846	XQALGQVDHMRCQQ-ZMGVVAQMSA-N	671.488	5.585	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1	575443518	RAFJDNKAUNLMLS-XKZIYDEJSA-N	519.236	8.008	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1	1529546784	HNHUDADJRZFFFX-MWKDUONYSA-N	702.027	5.575	50	40	KKGB	
COc1c(C(C)(C)C)cc([C@@H](N[S@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)cc1C(C)(C)C	1857776007	JIJHYOCKCFKMDP-CFWCUSOFSA-N	613.848	8.190	50	40	KKGB	
CCCN(CCC)CN1C(=O)/C(=N\NC(=O)CSc2nc3ccccc3s2)c2cc(Br)ccc21	1771548	RPDSMQJVRKOBKC-SLMZUGIISA-N	560.543	5.098	50	40	KKGB	
O=C(COc1cc(-c2cc(Cl)cc(Cl)c2)n(-c2ccccc2)n1)N/N=C/c1coc2ccccc2c1=O	2150608	FBGDKXKWURPVGE-AMVVHIIESA-N	533.371	5.482	50	40	KKGB	
N#C/C(=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(=O)NC1CCCCC1	2200001	YWHGZTUICNOAJL-LHLOQNFPSA-N	517.633	5.257	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)n2C2CCCCC2)cc1	2224804	SFZMMNMGMRMADB-MZJWZYIUSA-N	502.471	6.308	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CC[C@@H](C)C2	2345641	BGBCQNKOHXJIGZ-XDPMZMSMSA-N	539.997	6.417	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1	2672344	DBKAFQBFGAKRAK-KXKJEIKKSA-N	559.069	7.556	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(Br)cc(Br)c1O	3091703	ZYKPRWXNQTWPEO-AUEPDCJTSA-N	541.037	5.526	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N(NC(=O)Nc3ccccc3)c3ccccc3)nnc2-c2ccccc2)cc1C	3457109	WFACQMFUTVYABG-UHFFFAOYSA-N	548.672	6.413	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	9311509	NBVQOMFUNCWDRZ-MOSHPQCFSA-N	518.842	7.268	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1	9836756	KKBJNDNUQSOVQU-VEILYXNESA-N	506.031	5.537	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccco1	20136790	LTUJLZBWERLKHA-XMMPIXPASA-N	513.619	5.665	50	40	KKGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(CSCc2ccccc2)cc1	27528010	ZNCCOEIZYDRJML-NDZAJKAJSA-N	501.652	5.275	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1	59437055	BPEFENRMWTWRJK-XHLNEMQHSA-N	512.075	5.704	50	40	KKGB	
O=C(Cn1c2c(sc1=O)[C@@H](c1ccc(Cl)cc1)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2)NNC(=S)Nc1ccccc1	59690498	QEBFEUMRSIGSBS-CTDHHTNQSA-N	557.166	5.233	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	59856023	OGJPDVUSVKBTDQ-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	59882294	GTEUJRDFGQIPAZ-RWPZCVJISA-N	554.934	5.003	50	40	KKGB	
Cc1ccc(-c2nc(/C(C#N)=C/c3ccc(OCC(N)=O)cc3)sc2NC(=O)c2ccc(Br)cc2)cc1	97946597	FNKFUYJWUGOEHX-KGENOOAVSA-N	573.472	6.062	50	40	KKGB	
CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	97946778	XRWYTTCNNSNWFN-GTWSWNCMSA-N	591.111	7.554	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1I	97966069	BUAOBIIEQCHZSF-JOCHJYFZSA-N	626.501	5.704	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)ccc1OCCOc1cccc(C)c1	97980762	DISVWCJVVUQQMS-QXUDOOCXSA-N	642.561	6.723	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)c(OC(=O)c3ccc(Br)cc3)c2)c(Br)c1	98001642	GWDHGRJMFSMLBK-AABVJFSESA-N	745.218	7.250	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(O)c(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	98048742	HYMAJYJBTJNPSY-GDLZYMKVSA-N	570.671	5.506	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2C)cc1C	100100455	PHWUOZSXAVDMAD-LUOAPIJWSA-N	523.258	6.309	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	100206977	JJUKWKUTUKCLTG-YVLHZVERSA-N	614.352	6.017	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(C)cc2)cc1OC	100304271	RHZDYUNATDSLQA-KCSSXMTESA-N	595.121	5.419	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1Cl	100560296	TVBKDJJBHJZUGR-HHHXNRCGSA-N	623.960	6.818	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OCC(=O)c1ccc(Cl)cc1	100601004	GAJDCYZYKZQSQV-CIAFOILYSA-N	555.011	6.904	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCC(=O)c1ccc(Cl)cc1	100934330	HDPTUMDPTWBJPX-JAIQZWGSSA-N	531.977	6.706	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1	100989443	CFIXAAZZMJWZGT-JSIHEXFSSA-N	538.854	6.167	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2C)cc1	101081256	YBKAXPKZTCDZRV-OKRIBVEGSA-N	522.457	6.675	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccccc1C#N	101753797	YIAMIIADRWKPKT-NUJZUDFISA-N	563.364	5.717	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1cccc3cccnc13)=C(C#N)[C@H]2c1ccc(Cl)cc1	102413859	WHSSFQZSKQBLFO-RUZDIDTESA-N	529.065	6.325	50	40	KKGB	
N#C/C(=C(/Nc1ccc(F)cc1F)SCC(=O)Nc1ccccc1OC(F)F)c1nc2ccccc2s1	102931105	PAGUJQXRPAJVEN-HZHRSRAPSA-N	544.555	6.852	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	103889649	MWDIAZXKYHPJIT-JAIQZWGSSA-N	542.249	8.578	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)nnc1-c1ccco1	104247991	BRDWBPPNDQZARQ-MWLSYYOVSA-N	552.572	6.281	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccncc4)(c4ccccc43)[C@@H]2C1=O	112255693	RSXWTGVCOQAPDL-NSXLFHFSSA-N	547.014	5.010	50	40	KKGB	
N#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	164740649	QELHAFIFBXKAQB-WDZFZDKYSA-N	624.003	5.651	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@H]2C[C@@H]([C@@H]3C(c4ccccc4Cl)=NO[C@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	245318978	YMVIZMMZCSLVDC-QQLXCNIZSA-N	648.079	7.474	50	40	KKGB	
Cc1cc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)cc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1	263604324	ONSFSNLUPHQBRB-UHFFFAOYSA-N	658.806	8.756	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	408555910	ZXIWMQGGCQMKBN-MHWRWJLKSA-N	534.321	6.575	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1	408567396	MJNDZJMSWUFFIT-STBIYBPSSA-N	509.444	6.027	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1OC	408580809	DZGQOLYPLHRPED-WOJGMQOQSA-N	527.802	6.201	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)cc1	408581073	UDFQSTOGTBFVCN-GZTJUZNOSA-N	502.195	6.838	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1OC	408583034	REKQZBQWDMJZEF-VXLYETTFSA-N	586.280	6.619	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408592108	XRFYKQSGELVOCR-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1	408606797	QCNIURFMSPGDGZ-HXUWFJFHSA-N	501.534	5.219	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Br)cc1	408607729	NYPOFGIJCSDTFS-FQEVSTJZSA-N	538.442	5.150	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408661413	XAZBLABEWOLMQQ-QAHMESRPSA-N	691.631	6.009	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408668272	DDAZNHCUTVKQBW-ZCQNZVIGSA-N	584.393	6.972	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408682120	IXKUADMZOLWXGR-YZEAIEHJSA-N	646.119	5.237	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1)c1ccccc1	408725730	GYYBBNKTYCYMOQ-MUFRIFMGSA-N	542.444	5.984	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408736973	KKFHUALTLHUMAQ-HDQUPXCUSA-N	677.437	7.214	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408741184	HHNKQVVKTPYODD-MFOYZWKCSA-N	532.221	6.889	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2Br)c1	408741523	JIXQOSXJAQNODW-ODLFYWEKSA-N	526.228	6.645	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)ccc1I	408746896	HIZLHILXHXRSQB-LGJNPRDNSA-N	595.231	5.414	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408753576	JMZZDNCBTPEKFO-CIAFOILYSA-N	622.453	6.223	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1	408756195	XYQOGMKJSSEQIC-OCSSWDANSA-N	512.509	5.319	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3I)cc2)cc1	408764833	NJPADYRNWCLIIV-HMMYKYKNSA-N	595.393	5.031	50	40	KKGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OCC	408783278	MAVKWFYCJCJVQE-ATVHPVEESA-N	519.383	5.090	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	408794059	HHGYXJVMCOTJAN-VCHYOVAHSA-N	526.774	6.444	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408817254	VKGBKEKLPMTOMC-OCKHKDLRSA-N	601.251	5.931	50	40	KKGB	
O=C(CNC(=O)OCc1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408821013	BKCICLKSRGQAIP-VVEOGCPPSA-N	509.393	5.373	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408822992	CZACEKBOESAVQH-MTDXEUNCSA-N	682.014	9.667	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1	408835855	YOZZASNXRYURLU-ZMOGYAJESA-N	607.921	8.668	50	40	KKGB	
COc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408838663	GVXKIEIKJBGQSS-CCVNUDIWSA-N	551.466	6.406	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)c1	408840183	YHFNPOIPEXXLTF-UHFFFAOYSA-N	542.842	5.953	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCC(=O)O)c(I)c4)cc3)cs2)cc1	408840349	AUOQPCSIXNUINK-XODNFHPESA-N	612.449	5.694	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c1C	408842677	PNTJVUPBIDWBRN-AMVVHIIESA-N	511.573	6.314	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408845930	WSHCGXQLSIAWNQ-KVAAJVFYSA-N	560.601	7.331	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408845977	QDNJRSPFZZWIFI-CCVNUDIWSA-N	511.434	7.023	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408846342	MXYXZSIBGLOKQB-ZYVHIHPKSA-N	799.856	6.585	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408849481	ZCNJLTRGNZALQZ-ZISVIYDVSA-N	614.510	7.843	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408867459	IOOUIHPDIKAPKD-SSDVNMTOSA-N	550.995	5.256	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1Br	408885610	CURUDLBLDUOKOW-LZYBPNLTSA-N	566.666	7.543	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	408888956	DABRXEVOKZVXEG-LSHDLFTRSA-N	501.318	5.001	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1O[C@@H](C)CC	408904843	PKQJGXGRVNNVFE-RTNLCPHNSA-N	504.337	5.443	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)ccc1Br	408905196	UZTMBRXDXKAMNH-CPDSRJINSA-N	646.177	8.170	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)c(OC)c1	408947884	BNSOAGDMGYZLLL-OLDUKCEXSA-N	744.437	5.828	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408953706	MLINOYCFVKQSBM-GWJWVUNLSA-N	520.265	6.067	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1	408969719	SKRJGOZODKXVHR-BQSNHMCDSA-N	746.429	6.831	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1OCc1ccccc1Cl	408972040	OQZRXVAECWVOCY-ZMFRSBBQSA-N	503.780	5.550	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408972179	NASJRUSIKUONAO-UNYADRNWSA-N	619.332	7.205	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1cccc2ccccc12	408983084	KFXMKYJRNIWSPF-OEAKJJBVSA-N	531.439	7.978	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)c1	408993678	DYPOOABPNZQXHB-SXGWCWSVSA-N	641.143	7.660	50	40	KKGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1	408997927	PAFODSQRQMUARX-OGLMXYFKSA-N	509.031	6.295	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(I)c1OCc1ccc(Br)cc1	409002383	NMHOJFXXFDVYTD-RXKJZGMASA-N	738.417	6.202	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1cccc(OCc2ccccc2)c1	409016179	SRKRGWFPFUXSBM-FMFFXOCNSA-N	596.536	5.956	50	40	KKGB	
CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409021077	XQARPDGXNKHQMJ-PGGKNCGUSA-N	650.061	5.268	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409022568	WAFJHDMKYLIPDU-HQDYHJHZSA-N	583.486	6.513	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2cccc(C)c2C)cc1	409027410	CGHUJCMEOLKLHB-ALQBTCKLSA-N	602.688	5.114	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCC	409029979	BEKLKGHDDCXWHT-STBIYBPSSA-N	518.411	6.226	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1	409047765	NBLTVDGRQVIZMR-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O	409130664	UCMFAJZQAPLSIL-RUZDIDTESA-N	570.915	6.064	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(Br)cc2)cc1	409185390	LCAIFOIWWSMOCE-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)cc2c1	409186961	KEHANXHYNLTQQP-QCFMCPCVSA-N	525.608	7.720	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc5ccccc5c4)c(I)c3)cc2c1	409186977	KKPSTQLEPAYOPS-ZMGVVAQMSA-N	716.313	7.537	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(I)cc1	409190311	WNGOMCKKFUGLKJ-RPPGKUMJSA-N	646.650	5.901	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409224531	MHDCGMPOSRUAGF-HHRXLCCKSA-N	646.578	6.647	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409225156	PDSFYQRHDYRPBV-ZEVPKUISSA-N	568.973	5.883	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccccc3)c2)c1	409225745	ONOKDLYFLKPNIS-QVYHRYPYSA-N	677.349	6.855	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(O)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409240312	GMDYAJXDEUXRQT-WMZJFQQLSA-N	537.073	5.324	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1ccccc1	409242392	UNHDUGFKNXYUSZ-VBNMEBLOSA-N	530.249	7.119	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409256874	QKCCEPWIEFJVBD-UDWIEESQSA-N	564.436	5.733	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409262345	HYOUMOSWDWHHRL-MTJSOVHGSA-N	548.437	5.946	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409319314	DIGJRSQFJCLSKC-WOJBJXKFSA-N	568.866	5.155	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1	409366606	WZTAOWAJNIQPKQ-UVHMKAGCSA-N	502.796	5.252	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(F)cc1	409394369	ZLZIIFOLSZUVJW-GRSHGNNSSA-N	517.313	6.611	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398958	XANFJBVPIZMKCP-UHFFFAOYSA-N	630.926	7.941	50	40	KKGB	
COC(=O)COc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409402736	KUTHTTRQIUQXPW-AQLQTECXSA-N	753.331	5.791	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OC(C)=O	409403765	NVKVNWJZUYZSRM-AQLQTECXSA-N	659.331	6.489	50	40	KKGB	
CC(=O)Oc1c(Br)cc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409406053	AAVMABRRYXLHRW-CPDSRJINSA-N	584.854	6.371	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(OCC)c1	1529549431	YTVBLGHJWKJLFF-RNMNIPMUSA-N	763.054	5.807	50	40	KKGB	
COc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)ccc1OCc1ccccc1	1102355	ONPQJEYSFRXJPW-JOCHJYFZSA-N	578.488	5.747	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(Br)c1OCc1ccccc1	1783424	VGEJXNJDQLVGFU-MLYMSBEUSA-N	595.519	5.083	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1cccc(Cl)c1Cl	2177597	OPOZRYPQSKYRNI-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccccc1Cl	2697528	BRYBZNDCSOAOMO-MZJWZYIUSA-N	509.056	5.222	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1	3143661	QCUKYUNRCQMASA-WMGAYZPOSA-N	512.997	5.587	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@H]1[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1	11612130	KQIHYMLPAWUVKD-GFOUJFQOSA-N	503.605	7.054	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	12555983	TWBUQQIBVIJJAW-MHWRWJLKSA-N	512.305	5.675	50	40	KKGB	
CCOc1ccc(NCc2nnc(S[C@H](C)C(=O)NN=C3CCCC[C@@H]3C)n2-c2ccccc2)cc1	13882018	ULZCYFSRIHRZKQ-VQTJNVASSA-N	506.676	5.441	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccccc1OC	20130547	ARKDTPQEYNRVCM-RUZDIDTESA-N	503.624	5.109	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CCSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	36080577	PIRVOZWEMOHAOG-YMFOOSGCSA-N	527.690	6.553	50	40	KKGB	
Br[C@@H](c1ccccc1)[C@H](Br)CC[C@H](Br)[C@H](Br)c1ccccc1	68564397	DULGBCUTCPPZQP-FZDBZEDMSA-N	553.958	7.566	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	100119562	ACDRFLRLHLSKFC-HWLOXFRGSA-N	579.660	7.891	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(OCC)cc3)S(=O)(=O)c3ccc(SC)cc3)o2)cc1	100211512	BPOHTZDENSMZAL-UZWMFBFFSA-N	621.737	5.590	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(C)cc2)cc1	100242944	IFHKNZXJMGYDAU-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(OC)c1	101109631	JTZRAKQMLOIQBR-PMOZLPSBSA-N	603.469	5.873	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2F)=C(C)N1	102807529	YKAOXJRFHNSSTE-RUZDIDTESA-N	553.015	5.787	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1	102862224	WRABTIPIFGWIOU-SANMLTNESA-N	501.652	6.535	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccccc1)=N/NC(=O)c1cc(Cl)ccc1O	104315621	WIZKOACVGYZSPQ-UTMIZZEPSA-N	513.989	5.863	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	164732346	PGJIVDJCOALAFZ-NVNXTCNLSA-N	615.536	8.296	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)c(C(=O)OCC)c1C	408546688	MSQPOWRAOGLFBZ-WOJGMQOQSA-N	535.574	5.395	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1I	408546919	OVFLIDVWLCRPHB-CXUHLZMHSA-N	719.335	5.903	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408548602	JNUALXSRYHPEDE-FMCGGJTJSA-N	515.363	7.162	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)c1ccc2ccccc2c1	408549161	QDATUXJWNGLFTK-IDUWFGFVSA-N	581.147	5.577	50	40	KKGB	
Cc1c(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc2n1Cc1ccc(F)cc1	408591126	RMUPSIDEULTBSW-IPPBACCNSA-N	540.380	5.304	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)Sc1nc2ccccc2[nH]1	408599671	YHSFHBXORPRCNW-RQZCQDPDSA-N	575.713	7.977	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(Cl)cc2)o1	408602568	CRJNEIRTGOALJN-QHCPKHFHSA-N	502.983	5.685	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)ccc1N1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O	408647455	JGTCNTHULGFEIE-DVECYGJZSA-N	558.845	6.001	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	408659473	JVEBHNPTFPETTR-UHFFFAOYSA-N	530.065	5.817	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408688714	WZGUJGVPYYATGV-BQLFOJHWSA-N	635.567	5.982	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408728584	PDMVQPLDPYTLLW-ZCTHSVRISA-N	548.064	5.816	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1OC	408739915	GMIHHGJNBWWDMO-MZJWZYIUSA-N	516.823	5.847	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1	408742591	BEQCAEKPPFFOBX-LSCVHKIXSA-N	664.237	6.058	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc12	408748292	BLEZBUIFOYULPG-MUFRIFMGSA-N	548.393	6.252	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408751221	XWIUZULNMKQHII-FSGOGVSDSA-N	562.407	5.256	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408753717	BTJFUJNQBOVURG-OQLLNIDSSA-N	641.283	6.376	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OC(C)=O	408759742	KQTYRKIRACTJDM-MLPAPPSSSA-N	545.160	5.468	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)cc1	408761372	IZEWGIQUMXYIHP-LGMDPLHJSA-N	510.775	5.666	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccccc1Cl	408789097	NYQQXPZAUQPPKT-UDWIEESQSA-N	616.839	6.255	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c1	408792227	JSUYRWQRQIFANB-VXLYETTFSA-N	668.700	7.291	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792317	AJOVXNUZHOAQKY-OEAKJJBVSA-N	608.319	8.460	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(I)c2)cc1	408792446	BGMCUDPHCQRDIK-HYARGMPZSA-N	566.395	5.901	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(I)cc2)cc1	408792616	BIDVQZWULXPJAX-XSFVSMFZSA-N	538.341	5.202	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(C)cc1	408796328	NSGQSOZCPVYXKS-UDWIEESQSA-N	572.830	6.776	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408797423	RPAJFONAXBDEMR-CIAFOILYSA-N	505.958	6.334	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1	408797508	SEJAZPNJEZHDHQ-SRZZPIQSSA-N	659.265	6.455	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(OC)cc1Cl	408832272	RTYVSGWVBLNLHT-WOJGMQOQSA-N	527.802	6.244	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(OC)c1OC	408838187	CPWQQWPLHWRLQT-RWPZCVJISA-N	502.596	5.652	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(C)cc1	408846723	RQPUXSHANIRNKP-IDWIKUEFSA-N	655.536	7.717	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408846779	RHLCRGYSGDUMMT-JAVCYFNSSA-N	847.350	10.091	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1	408849462	YWKUXMBTUGRHAC-JTRPDNIJSA-N	503.558	5.251	50	40	KKGB	
COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408850031	DCKINUZYPIOEBT-MWLSYYOVSA-N	522.830	6.641	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)c(Br)cc1OCc1ccccc1Cl	408850359	MAPUSLBVUGVPTR-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1ccc(Br)cc1	408854387	DOLSNXOVXPFBDA-SRZZPIQSSA-N	630.333	6.430	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408855197	DFSKKNVNOYENHC-SJIPFTAOSA-N	599.938	5.409	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408861683	UTYVLIWKJLQJKN-AABVJFSESA-N	695.394	6.828	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408864221	UKLUZUXRUAHJLH-AVLPFNLUSA-N	544.699	6.548	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1cccc2ccccc12	408866531	GRULBAYVCPSLSW-ZBCCTDPOSA-N	582.482	6.699	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1Cl	408870844	UVGGBIGLTXJWEQ-GCFUEJLLSA-N	533.481	5.013	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1cccc(C)c1	408871615	ZEIYGRSGIZZNHJ-OEAKJJBVSA-N	519.439	6.843	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1Cc1ccccc1Br	408872047	JPFLURUTXCWEHL-GIJQJNRQSA-N	574.700	7.319	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408878797	BKQUMQDXFIFNQB-LGUFXXKBSA-N	523.430	7.165	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)c1cccc(Br)c1	408891379	PQVODMPJXNURAF-RWPZCVJISA-N	552.222	6.348	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccc(C)cc1	408892096	BBLLPDHMCXPFCK-XZYGTATASA-N	609.605	7.729	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408904867	PTCGDOANWMHFGY-ACXHZZMFSA-N	587.430	6.854	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2C#N)c(I)c1	408945857	LSXTXFZBSMBEBT-MUUNZHRXSA-N	788.462	5.389	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc(C(=O)O)c1	408948761	GKUCRZKAJSVVJQ-UUYOSTAYSA-N	529.980	5.373	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccccc3Cl)cc2Br)c(OC)c1	408949067	DRSJYJPYXYXORV-FWUIRIOGSA-N	715.985	5.419	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	408950351	SCMDTGGQAKWOFB-HHHXNRCGSA-N	689.991	5.706	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1cccc(I)c1	408951951	NACKPYJKMQZHMT-BKUYFWCQSA-N	534.401	5.446	50	40	KKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(Br)cc3Br)c2C)c1	408964729	DKHWTFDTYHJTCI-WKIKZPBSSA-N	577.273	5.325	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	408972568	VHXKSOZOOBQPBX-PUQPHWPZSA-N	506.474	5.739	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cc(Br)c(O)c(Br)c1	408991478	OKASIDGDYSOCTD-OPEKNORGSA-N	630.074	5.865	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	409016985	URGIIGCIUGLIAL-KLPHOBTLSA-N	681.155	8.182	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409020337	OCSWPMOCMJZUNF-BHGWPJFGSA-N	619.095	6.173	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(Br)cc2/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1	409024947	ZWNICFRBDGOWIU-PPDIBHTLSA-N	527.758	5.890	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409046418	KMGZBBAIJALVBC-XDHOZWIPSA-N	522.355	5.838	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409047020	TWCSSTDGIYCEIS-MZJWZYIUSA-N	539.227	6.199	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409054475	GKBQQJQYVUYNEF-DHRITJCHSA-N	547.203	5.392	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1)c1nc2ccccc2[nH]1	409056448	MHLBNGALBJEZJE-CXUHLZMHSA-N	543.646	7.384	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409124378	BPHOSOULJCFXEY-IPPBACCNSA-N	523.964	5.321	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OCC)c2)cc1	409150597	CMDVIJMSCXXTSE-FABQOPTDSA-N	600.594	5.389	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12)c1cccc([N+](=O)[O-])c1	409184544	XYTDVMDMVJHGFG-VPGWSJPTSA-N	621.993	5.123	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1	409214225	WQZVMZQMVJCGID-LUOAPIJWSA-N	558.712	7.231	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409223937	JJRQSSBJFGGXGR-OQLLNIDSSA-N	624.116	7.082	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1	409226693	RHJGJZGJDBGMHV-UHFFFAOYSA-N	680.309	6.664	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1	409226887	XSPLLMJOZFNZJM-MHWRWJLKSA-N	530.795	6.219	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409227933	XPZZMHAFQWPXEN-DEDYPNTBSA-N	581.410	5.562	50	40	KKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(Br)c4o3)cc2)cc1	409236820	HHIZAECWOLNSDM-LGJNPRDNSA-N	544.268	7.181	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	409249012	RWXWVPVFVMPORV-PPDIBHTLSA-N	658.205	5.005	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1	409256883	NXGQJMDQRVBWTJ-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)c(C)c1	409265525	VITQKIPRUSKJCQ-SRZZPIQSSA-N	597.307	6.069	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OC	409325443	YTEMLKJNUHHMGR-MNDYBZJGSA-N	544.435	5.881	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1	409382773	QVZFJXYZDHBRHW-GIJQJNRQSA-N	500.780	5.751	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)c(Br)c1O	409384922	GKMBTDSNRZKGKZ-ODCIPOBUSA-N	543.193	5.203	50	40	KKGB	
Cc1c(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409391705	KVSQAJQVBXBKLU-MHDJOFBISA-N	515.444	7.020	50	40	KKGB	
COc1cc(/C=C(\C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(Cl)cc1	409394005	UFSQRBLNSKGENM-GIJQJNRQSA-N	519.741	6.735	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409395108	JZUSNKLONFLHGS-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)[nH]c12	409395503	OKQCYNNXAIYXLJ-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl	409396948	DGYCRAAIWWNXFT-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(C)=O	409397136	GQVIYOFRTOFHLY-UHFFFAOYSA-N	650.902	7.712	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397610	LVHBTNWAGDSFHQ-UHFFFAOYSA-N	663.899	7.393	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12	409398261	RZZOLUFYSSIQOC-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCC(=O)N5CCOCC5)cc4)c3C)o2)cc1	409400424	DAKIIZWVTWOUSB-BIKKEBSBSA-N	649.748	5.675	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCC(=O)Nc3ccccc3)o2)cc1	409401879	IMVSHXQRHXEMCK-KMUKQRDJSA-N	597.071	6.701	50	40	KKGB	
Cc1ccc(NC(=O)Cn2c(C)c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c3ccccc32)cc1	409405399	TXJGZSPXXFTFRX-GLJXUZQSSA-N	613.718	7.240	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3Sc3ccccc3)o2)cc1	409407332	FHIYJEVAXIVQDN-RGXNXFOYSA-N	521.642	7.181	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1cc(Br)ccc1O	1809179	UZFBTPSTTYEQAS-UVHMKAGCSA-N	569.506	5.037	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Br)c3)n2C2CCCCC2)cc1	2214838	JZFMZYIOOYZZJL-CVKSISIWSA-N	512.477	5.764	50	40	KKGB	
Cc1cc(SCC(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)c(C)cc1Br	3232446	KTXSMSORHGWCAQ-VULFUBBASA-N	545.528	5.268	50	40	KKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccccc2Br)c(C(C)(C)CC)c1	3236980	HIHJMOODMLWNLF-VUTHCHCSSA-N	501.509	7.134	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Br)cc1	4196319	MSSBKUNXEDWBLI-RGVLZGJSSA-N	570.281	6.962	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(F)cc1	4196373	IIPUZMMCVZTNNC-VCHYOVAHSA-N	517.192	7.002	50	40	KKGB	
O=C(CCCl)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1	6446789	SDVYTLPZLUBDGF-QHCPKHFHSA-N	579.838	6.172	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccc(C(=O)O)cc1)=N\NC(=O)c1cc(Br)ccc1O	8666349	VPWRLQMFARGJGI-LTOHIISPSA-N	618.448	5.371	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	8843168	FDVOEOFMGYBCOJ-HSASTMCKSA-N	515.638	6.531	50	40	KKGB	
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(N(CCCl)CCCl)cc2C)cc1	19325352	GPSOCOVGFSHRPM-UHFFFAOYSA-N	556.578	6.703	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NC[C@H]1CCCO1	27021260	PMMBBBZYAGCBMG-LTHLYLQDSA-N	504.590	5.320	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	33355205	QCRISTCHMCCFGK-NDEPHWFRSA-N	555.059	6.793	50	40	KKGB	
O=C(CCC(=O)Nc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccc(Br)cc1	97959776	MXKYEIGDRXVMHJ-UXHLAJHPSA-N	530.422	6.050	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1F	97960738	WUDZHVPSKHDIPM-LICLKQGHSA-N	564.238	7.418	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1OC	97981407	VQQYRDKQRVSQBY-RGEXLXHISA-N	532.572	6.417	50	40	KKGB	
Ic1ccc(N=P(Nc2nccs2)(c2ccccc2)c2ccccc2)cc1	97984086	VMWADTFZNNRZAW-UHFFFAOYSA-N	501.333	6.259	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3ccccc3nc2Cl)c2cccc(Cl)c2)cc1	100139026	AWWDQWZHCAMKSS-RWPZCVJISA-N	527.433	5.196	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1ccccc1Cl	100231676	YNXICOCVPAIGGY-MHJSSWIHSA-N	566.867	6.199	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	100233196	WZMXPBSDJFCKAJ-RPPGKUMJSA-N	538.310	5.145	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)ccc1OCc1ccccc1	100852589	AISWFUMGPZJGHW-APTWKGOFSA-N	564.667	5.524	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(C(F)(F)F)cc1	100859754	NYCOHOHVQJGDMU-VFLNYLIXSA-N	516.936	5.244	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	100878846	FEZCDZQDLZDUPC-SFQUDFHCSA-N	524.827	6.955	50	40	KKGB	
N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc(Br)cc(Br)c3oc2=O)cs1	102609956	RZIPDLXCRLGEAZ-WLRTZDKTSA-N	559.195	6.414	50	40	KKGB	
CCCCCCCCCCCCCCCC(O)(C#CC(C)(C)OOC(C)(C)CC)C#CC(C)(C)OOC(C)(C)CC	103001262	ZXABFGCWVXHLCX-UHFFFAOYSA-N	578.919	10.036	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)[C@@H](Br)[C@]1(C)CC(C)(C)C[C@]2(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1	103750373	GNNDJWJSGUVPLJ-ZPZUNKDASA-N	549.418	6.078	50	40	KKGB	
c1ccc([PH](COC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	103835750	PAYYCJXJZIKSGK-UHFFFAOYSA-N	570.653	6.371	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	103898295	BYSKFDUGDVPGMO-QXUDOOCXSA-N	622.143	5.980	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c(C(=O)OCC)c1C	109899576	QYKMSMHAKKLFGE-LFIBNONCSA-N	552.561	5.306	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1Br	150353440	FRJZJRNFLDKWBG-BRSOXAAPSA-N	697.221	7.650	50	40	KKGB	
N#CSc1ccc2c(c1)C(=O)OC21c2cc(Br)c(O)c(Br)c2Oc2c1cc(Br)c(O)c2Br	150358243	BFQVDORVCJHSQK-UHFFFAOYSA-N	704.972	7.289	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2C)C1c1ccc(N(C)C)cc1	150371906	CPLKYENSNJEWCU-UHFFFAOYSA-N	693.635	8.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	162475308	FYYXDITWIZCHSI-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
CCN1c2ccc(/C=N\NC(=O)c3ccc(I)c(OC)c3)cc2[C@H](C)CC1(C)C	208302492	YCMBWALJPNVGLA-MLGZCZAZSA-N	505.400	5.176	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2OC)ccc1OCc1ccccc1	408539182	UPTBJSLDIVSTMC-AFUMVMLFSA-N	681.505	8.579	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539290	GNBPPXZZJHODAJ-APTWKGOFSA-N	589.486	6.778	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cccc(Cl)c1	408599312	SMPJUPXQNNBTJU-SOFYXZRVSA-N	666.511	8.499	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408611367	VZNJUJRSWJWREG-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408637527	ADVUIOVDCHCBRL-TVFCKZIOSA-N	651.566	5.809	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408641383	KETHRKVJYPXUDW-ODAXIHTASA-N	771.673	7.028	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408645595	SMDJMDWMDQPBES-VCTPWBKUSA-N	749.045	6.933	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	408711934	RENFCMBPGDFBRS-XODNFHPESA-N	562.238	6.673	50	40	KKGB	
Cc1ccccc1OC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)Oc3ccccc3C)cc2)cc1	408720372	MIHDVYVKSYICDD-UHFFFAOYSA-N	554.791	6.283	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408756619	SVUWQXXPHSRZKD-XZYGTATASA-N	590.477	6.800	50	40	KKGB	
CCOc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1	408760224	USCAMUSPWWLECQ-AQTBWJFISA-N	510.377	5.955	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408779922	NPUSMAPZWGYSEL-IMRQLAEWSA-N	552.472	6.437	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1C	408794412	JAJJDAHZFQKGTC-VXLYETTFSA-N	585.252	6.861	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1cccc(F)c1	408795929	NAHXEMCJJKPKGS-GIJQJNRQSA-N	529.793	6.765	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408797795	SRUBTPFTSOSNSO-LFVJCYFKSA-N	557.419	7.292	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408810869	JYBVYTHCTJHUGM-HMAPJEAMSA-N	534.418	7.665	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)c(C)c3)c(OCC)c2)cc1	408813553	QRBVUAMLXXJHJH-OEAKJJBVSA-N	596.465	6.830	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1	408819781	RVFSILRCGJWWQZ-MTJSOVHGSA-N	507.384	5.269	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408822294	LLFSATHFOINBIQ-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1	408824549	QXPPFTPJFQSWAS-WCMJOSRZSA-N	586.497	6.058	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl	408825332	RXUUIWRTYWVMLT-YDZHTSKRSA-N	642.366	9.403	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408827418	HFIKIGYVAHKLDY-HNSNBQBZSA-N	636.568	5.999	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408830882	TXCTZPHULCTVBS-ALQBTCKLSA-N	629.953	6.635	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408834348	XYVRACHUEYRDDW-HNSNBQBZSA-N	592.117	5.890	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OC(C)C	408837049	YGUBGPTYEAKVIG-VIZOYTHASA-N	523.811	5.851	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	408846096	IKMWXKUOJWVRNW-GMEAVFFOSA-N	528.700	7.922	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1	408849797	ZDOCFTNSHOIRSR-HNSNBQBZSA-N	593.905	6.466	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408851752	FUETWGZAQXTRFC-CPDSRJINSA-N	558.259	7.574	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cc2ccccc2o1	408854420	FMVZDZMSZUFEFG-ZMFRSBBQSA-N	575.200	6.143	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(C(C)C)cc2)cc1	408864088	SQNQNKLPDXBHKR-QXUDOOCXSA-N	570.759	6.488	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2cc(C)cc(C)c2)cc1OC	408864927	AOMXAHDAARLTEY-ALQBTCKLSA-N	622.143	5.899	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(C)c1	408869366	CJQKKGIEHHAQJH-RGVLZGJSSA-N	606.382	7.142	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408873386	QFBJJADXMIKRGP-DPNNOFEESA-N	701.437	6.453	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1ccc(F)cc1	408874470	CEAWEHGYZZLIHO-FYJGNVAPSA-N	523.402	6.674	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Cc1cc(C)cc(C)c1	408877447	VFCIXIRXCIZMCM-RDRPBHBLSA-N	502.614	7.028	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1ccccc1F	408879782	FMFZXQVAMHATPT-SRZZPIQSSA-N	569.427	5.806	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	408882862	RFLZDEYUEKAQRZ-LICLKQGHSA-N	540.757	6.084	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408887327	PPXXWDSGGQIJDZ-RDRPBHBLSA-N	538.025	5.369	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	408888670	YQOFBQWUSTWYBJ-SFQUDFHCSA-N	531.815	5.724	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OS(=O)(=O)c1ccc(OC)cc1	408926671	XINXNIHPICRSAX-SFQUDFHCSA-N	580.968	6.079	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)cc1Cl	408945084	WPIJJYXJGVJCFK-KBVAKVRCSA-N	515.013	5.724	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)c(OC)c1	408949715	FXMDBMMCTKIHGN-FWSRZAFXSA-N	695.567	5.074	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccc(Cl)cc1Cl	408952745	WTCFXCGNDQPPHP-HHHXNRCGSA-N	832.342	6.825	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408963662	IMZYCNQRJOWNEA-BRVKXLECSA-N	572.489	5.436	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)c(F)c1	408966648	MTRZIFIKSWMTMA-IPBVOBEMSA-N	521.173	6.110	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1c(C)cc(C)cc1C	408971488	GHDXKCKQFVVJKG-JWLQSOJKSA-N	628.597	6.955	50	40	KKGB	
Cc1c(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)sc2ncnc(N)c12	408973422	MTXUPOZJQSUPIQ-HIUVJMHLSA-N	669.286	5.134	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1	408974538	ZOJDAKNGCHHKAP-LGGANVPRSA-N	584.298	5.107	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(SCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1)c1ccccc1	408988788	FYQMDNGFAOUWRB-GTNUZBGFSA-N	599.669	5.806	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409013332	UMMOLCFCIFNRBB-MNBJERMJSA-N	510.594	5.193	50	40	KKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409018490	XAKFGGOVTQSPTB-LSFURLLWSA-N	522.140	5.354	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Br)c1	409040734	UEXDNEBJWWSOQS-HQDYHJHZSA-N	584.901	7.969	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409051971	FLPUFTYKQMOVJW-DPNNOFEESA-N	612.535	5.922	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409065702	KOVACLNJGIWWOA-RGVLZGJSSA-N	527.835	7.509	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1	409083843	VVBBHWJAKROKTF-NTEUORMPSA-N	543.717	6.257	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1cccc(Cl)c1	409122343	YFABGIXRHUWPNY-MZFJOGFUSA-N	566.042	7.287	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C2=C1CC(C)(C)CC2=O	409141509	IEXHXIVUHGCTTN-DEOSSOPVSA-N	727.356	5.997	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)cc1	409157926	QPQJWEQWNUCDKZ-VTNSRFBWSA-N	625.520	5.360	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2c(C)cccc2C)cc1	409172786	LJRGAHVYDLPTJN-KBVAKVRCSA-N	595.494	5.351	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	409184084	DZZKBOGNPBEWHL-UZWMFBFFSA-N	622.541	5.772	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(OCC)ccc4o3)c2C)sc2c1CCCC2	409186777	HSEMXSDCCKJMEZ-UHBFCERESA-N	533.650	6.120	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(C)cc4)c(I)c3)cc2c1	409188222	XNWWPQVPQGSRET-NUJZUDFISA-N	680.280	6.692	50	40	KKGB	
COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)sc(C)c1C	409203987	AUFZHILPJDEGTP-RQZCQDPDSA-N	502.423	6.412	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(Cl)cc3)cc2)cc1	409222550	DVNOJDKDDOJPCE-LJUMEUDFSA-N	556.962	5.792	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409253183	YYZATOFXQSCHBB-FPJJECCMSA-N	539.857	6.865	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409266629	KOENMGOEPIDKFF-PPDIBHTLSA-N	531.352	5.000	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409305736	XDWWWQGLMUGASX-FDVSRXAVSA-N	515.444	5.743	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)ccc1OC	409324689	UMVLVVXLIBPTLH-QDTIIGTASA-N	507.801	6.397	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409367732	JTYNLIIGTSJNPU-NHDPSOOVSA-N	504.340	6.271	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc(OC)c1OC	409395321	MGLFSKLIZFHBFV-UHFFFAOYSA-N	725.365	7.508	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)c1	409396198	XABCSZDIGAGVME-UHFFFAOYSA-N	773.219	7.956	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OC(C)(C)C	409400499	DLHXBOFXMWHGFA-CAQPMQTCSA-N	545.636	6.225	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1O[C@@H](C)CC	409400879	FTOPUJYQXFJKDV-JULKZOALSA-N	687.429	8.131	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1O[C@@H](C)C(=O)O	409404159	PBKHKZWBLYJZSR-KWMKVIAQSA-N	545.592	5.281	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N4CCCC4)c(F)c3)o2)cc1	409410701	ZYFMEMLROFSWBE-MNBJERMJSA-N	500.574	5.769	50	40	KKGB	
O=C(CC[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F)OC(=O)CC[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	885164230	WRLHSXVOBDKSJB-HTQZYQBOSA-N	566.179	6.553	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(OCC)c1	1529548581	JJVJCLAPKYFWGK-RNMNIPMUSA-N	725.618	5.010	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(OCc3cccc(F)c3)cc2)c1C	1529548816	GKVRNQIFGCGCQE-OPQHIAOESA-N	669.779	5.697	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc(Cl)cc1Cl	1812835	VDNFHNHGNSDXPQ-GZIVZEMBSA-N	503.889	6.033	50	40	KKGB	
CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3c(-c4ccccc4)[nH]c4ccccc34)cc2)cc1	3343996	FYMAVGJQHYPICM-KEIPNQJHSA-N	501.630	7.475	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	4045461	SOTFJPJGEZCEQS-USJSOUKPSA-N	670.122	6.243	50	40	KKGB	
C[C@H]1[C@H](OC(=O)CCl)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C	5733780	YJDLJJSTBAYZPA-VXYYKTLZSA-N	505.227	9.039	50	40	KKGB	
CCCCC(O)(CCCC)C(=O)NN(C(=O)c1ccccc1C(=O)N(NC(=O)C(O)(CCCC)CCCC)c1ccccc1OC)c1ccccc1OC	8424693	OPBDYTGYIUBCMI-UHFFFAOYSA-N	746.946	7.283	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1OC	9008427	IHNBLFVWIPKXRI-JFLMPSFJSA-N	514.051	5.363	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	9302125	DBWUDCFTPWUTQJ-DEOSSOPVSA-N	521.067	6.108	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(C)cc3C)NC3=C2C(=O)CC(C)(C)C3)cc1	13175317	GQDYMPDAMNKIDZ-SANMLTNESA-N	515.679	6.058	50	40	KKGB	
N#C/C(=C\Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl	18188599	VOZPPTGLXOCSLY-CPNJWEJPSA-N	513.324	7.055	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)C(C(=O)Nc2ccccc2)=C(C)N1	20348602	KAGIDCKUBABTRU-NDEPHWFRSA-N	526.637	6.095	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)cc1	28217140	KLYGVKAINKPAAJ-KXYWZDDBSA-N	522.674	5.941	50	40	KKGB	
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O	38200651	NXRWWIODDATPCQ-MWLSYYOVSA-N	509.547	5.143	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Cl)c(Cl)c1	58913092	ZWYUVABUVKPPKB-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1cccc2ccccc12	59435244	OMRIQGCLUQAJQZ-OCSSWDANSA-N	510.619	5.936	50	40	KKGB	
N#Cc1ccc([C@H](Cl)[C@@H](Cl)c2cccc([C@H](Cl)[C@H](Cl)c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	68563545	TYWNYRTWAKWVCN-NEWJYFPISA-N	564.212	7.766	50	40	KKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(Sc3cccc4cccnc34)o2)cc1	97949562	IUHQBWDAATVLQQ-GZZLJNBRSA-N	529.706	8.262	50	40	KKGB	
Cc1ccccc1CN1c2ccccc2C2=C([C@@H](c3ccc(C(F)(F)F)cc3)C(C#N)=C(N)O2)S1(=O)=O	100032618	YCEZWXMTYLLQNW-QHCPKHFHSA-N	523.536	5.540	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccccc1	100287692	NVUQUZOCGOXUOG-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1	100568976	YCGAXRHNBQFFJD-MHZLTWQESA-N	589.515	6.164	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1OCc1ccccc1	100973852	MKUIGFZSMLVCLP-XZYGTATASA-N	624.788	6.464	50	40	KKGB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccccc1Sc1ccc2c3c(cccc13)C(=O)OC2=O	101140805	GZTZUYPXTKSFBZ-LFVJCYFKSA-N	533.609	6.637	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3OC)=C(C#N)[C@H]2c2ccco2)cc1	102513508	AVMZIYHBCKGSNG-MHZLTWQESA-N	572.643	5.171	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccccc2C)NC(C)=C1C(=O)Nc1ccccc1	102719350	WSORVIPRBJXRTA-LJAQVGFWSA-N	538.673	6.100	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	102808819	RKJPXRRGTCMQTG-MUUNZHRXSA-N	554.716	6.837	50	40	KKGB	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccccc3OCc3ccc(Cl)cc3)cc2)cc1	103020156	OELUAOCEEZKXAN-UHFFFAOYSA-N	535.065	6.632	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164734484	JLHCYXNNQADLNV-NVNXTCNLSA-N	662.536	8.139	50	40	KKGB	
C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	195766589	JJNHXXXGXRHCFL-NWWLCHBLSA-N	696.049	6.948	50	40	KKGB	
O=P(Oc1ccccc1NCCOCCNc1ccccc1OP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	196386672	RIUMFQWRBXDHDT-UHFFFAOYSA-N	688.701	7.843	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(I)cc3)ccc3ccccc23)cc1	216067128	WWMVMZPRLYJRDX-UXHLAJHPSA-N	564.423	6.576	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	408538634	AVPVPARMQLNWBI-CAQPMQTCSA-N	560.006	6.569	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)cc2OC)ccc1OCc1ccccc1	408540379	QYQWCDYHRVTNQJ-AEVGBRMKSA-N	657.483	7.797	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552819	VRQDUHTVWAWJJM-CAOOACKPSA-N	736.329	6.741	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1cccc2ccccc12	408568593	VIJJULXOEZZAJN-RGVLZGJSSA-N	528.381	7.269	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408578683	AJARCMNEYAAWIO-LZYBPNLTSA-N	568.092	8.170	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccc(Cl)cc1	408581050	TUPJCUGQMMCZKR-WOJGMQOQSA-N	503.621	7.508	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1OCc1c(Cl)cccc1Cl	408607133	BUAZMMUDXWGLMJ-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408643835	GMVHKDSXSIIQPX-UEXGIBASSA-N	554.257	5.836	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c3ccccc3)cc2)c1	408672328	VSQVYIRGEZVETE-UHFFFAOYSA-N	531.609	5.024	50	40	KKGB	
O=C(O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	408674019	XCSCBNXVDPONQL-XNMGPUDCSA-N	642.289	7.698	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408687276	UAWSXLTUMDMAEE-TVFCKZIOSA-N	589.111	5.473	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccc(O)c1	408731526	LJGVXEJAYHZFQN-GTWSWNCMSA-N	502.530	6.189	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(O)cc3)c2-c2ccccc2)cc1	408741904	MCLHBSCHNGZIDX-STKMKYKTSA-N	501.586	6.680	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408743772	VDPCCAIYELCJLS-WQRHYEAKSA-N	508.328	5.491	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(OC)c1OCc1ccccc1	408744023	JEILNTYTVAGECI-JCMHNJIXSA-N	503.396	6.311	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2Br)cc1	408749031	KHHZXGISQBXPNV-ZMOGYAJESA-N	552.244	5.052	50	40	KKGB	
N#C/C(=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(I)cc1	408751821	COFCYRBVYWMPPA-PYCFMQQDSA-N	594.408	7.362	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1Cl	408755664	RYTDNOXIGKKOOQ-NDENLUEZSA-N	542.260	7.609	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408769304	QQOAAMBGTISVBW-UQQQWYQISA-N	587.474	5.921	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1C	408782940	LJXSSKHHGBUGQA-ONUIUJJFSA-N	554.488	7.598	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1C	408792498	AJPMLQJWBADVEA-VXLYETTFSA-N	558.245	7.092	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OCC)c2)cc1	408797785	TYNVSUSDQHJGMT-FYJGNVAPSA-N	675.317	6.754	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2cccc(Br)c2)c1Cl	408810426	KKBTUJOTCCWWLE-OPEKNORGSA-N	525.186	6.033	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC	408827083	CGUJKLCNICDFNX-KGENOOAVSA-N	616.883	7.257	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1	408828902	MLZGZRDFXGDSNX-RGEXLXHISA-N	635.356	7.830	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408831774	HIHZVIYNPMPZTD-XIEYBQDHSA-N	539.429	7.153	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccccc5)c4C)cc3)cs2)cc1	408839496	TVVPEUAAYRJNBH-FDAWAROLSA-N	505.647	7.034	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408840118	BGBOBPHXLZSPKY-UHFFFAOYSA-N	574.898	7.403	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408841576	LMCMGUJBLNWTRF-BIZUNTBRSA-N	623.087	5.572	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1ccc(Cl)cc1	408847702	OCTBTDOQDJAZEC-SRZZPIQSSA-N	585.882	6.321	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408847922	VWTNQODSSIUSJY-KCSSXMTESA-N	590.861	6.267	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCC#N)c(Cl)c4)cc3)cs2)cc1	408848282	VODSIMAEJOPASF-WKULSOCRSA-N	501.999	6.182	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2I)c1	408853423	SCGCWCFXNGNFMP-WKIKZPBSSA-N	636.227	6.293	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(C)c1OCc1ccc(Br)cc1	408854395	DUIXBYKHPNEING-OCSSWDANSA-N	501.424	6.491	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccc(C)cc2C)cc1	408860771	DTNJZUYHOFZFBL-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408862033	WPJDPGUSERJPBP-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408879658	DJWOCCOUFZYJTL-RQZCQDPDSA-N	565.092	7.655	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccccc1F	408884938	WBKUOYJCAROWHW-WKULSOCRSA-N	507.359	6.093	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408891825	VWJIKYTXFXEHLK-LZYBPNLTSA-N	591.643	6.898	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1C(=O)O	408892388	ZDBDMMAYRCKPSV-CXUHLZMHSA-N	501.753	6.470	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OCc1ccc(Br)cc1	408893767	FKLUFAPAJGGLIA-YBFXNURJSA-N	522.355	5.799	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)c(C)c1	408907835	PCCNNMAITGTZHE-STBIYBPSSA-N	525.443	5.827	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OCc1ccccc1C	408924562	MYGFXISOAZKABV-VCHYOVAHSA-N	593.248	7.040	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1	408940726	CVNVXXWZPNXGOC-MHZLTWQESA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1	408953301	XJQIYZWCLKHJSY-MHZLTWQESA-N	716.998	5.475	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc2ccccc12	408962392	IAFZGAPGSKOXGK-VWJSQJICSA-N	512.915	6.864	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC(C)C	408970839	LCOGCHINNDXRLB-NHCOHEBVSA-N	664.368	5.842	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408972287	QTZOEWBEXWXMRQ-QOXCMJMHSA-N	782.346	8.686	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2)c(I)c1	408981556	BQXQATXLJPLIQE-ZDLGFXPLSA-N	607.673	7.140	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)OCc1ccccc1	408993737	XHVKDVPILROTSZ-FOWDRRQGSA-N	626.511	5.892	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408997052	GDGFPGMHMXICLK-IUXPMGMMSA-N	684.655	6.372	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1	409007528	XMJWFWSBFKBWEL-XODNFHPESA-N	570.882	5.005	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	409016728	RNHHOBHUHQPBEQ-PMXBIQAJSA-N	575.449	5.919	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccc(Br)cc1	409022388	MQJFDJDAZFHXAQ-DBFSUHOCSA-N	606.698	7.353	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1	409026318	LVWPMGFTBIRARG-KCSSXMTESA-N	583.541	6.309	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccccc2OC)cc1	409027891	IEJSYOXPQKNEQP-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409029758	AYSQGOIFJMSFLQ-YPXUMCKCSA-N	572.084	6.444	50	40	KKGB	
N#Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	409042923	LOWYKEPGUCHABK-BRZWCYLBSA-N	591.454	5.832	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)c1C	409044324	BGBWUXKZKLHKIV-VXLYETTFSA-N	619.151	7.716	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(Br)cc1	409049375	ZHPHFJLSLLGGQZ-GXBUFBABSA-N	580.482	7.406	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409073569	QGQGVCSOXJXRJG-VCHYOVAHSA-N	545.311	6.291	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1ccc2ccccc2c1	409086546	QWJJYNGFQVETCL-CLHYIUPASA-N	681.530	7.041	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409131801	YYYMLYOJCFRVHD-SEBMTOOBSA-N	669.756	5.799	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)COC2	409135949	WTVLMQCCDYVBCG-UHFFFAOYSA-N	578.644	5.878	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Br)c(C)c2)cc1	409151048	GALNCHMTUSDUJU-FJEPWZHXSA-N	646.336	5.415	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1ccccc1F)Nc1ccc(Br)cc1C(F)(F)F	409159768	XGXWPXFXORXXGR-QFDQHJFZSA-N	615.765	5.367	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1C	409176766	XBEPJBJEPNOHGB-LQKURTRISA-N	513.510	5.350	50	40	KKGB	
O=C(OC(c1ccccc1)c1ccccc1)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409177359	FIESQBCVMHINPW-NVPYSNMXSA-N	597.303	6.059	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2cccc(C)c2)cc1	409184983	JAMONKNHKGHSJS-OKCVXOCRSA-N	556.471	6.216	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1	409188765	AHMXJJMKLIKLFU-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
O=C(COc1cccc(Br)c1)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409190645	UIKAETKWGAMQBC-ZRGSRPPYSA-N	597.101	6.082	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)CSc2ccc(Cl)cc2)c1	409200880	JYUIKBCQSGHBGX-LGJNPRDNSA-N	503.849	6.232	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409217818	BWXQFRTWZYAUIQ-BBEODDCXSA-N	558.421	6.628	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccco2)c1	409218547	FULPHAARSLOBDT-KHEBOWDTSA-N	682.281	6.348	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12)c1ccc(Cl)cc1	409219840	QVKNIPIWEGSPHW-HBKHLPLRSA-N	549.989	5.446	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccc(Cl)cc1	409221150	LPQRKJSOTAPHKR-KKMKTNMSSA-N	610.905	5.572	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	409222456	DETZFALEUZSDSC-JIBVGFDLSA-N	670.482	5.195	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)/C=C/c1ccccc1	409225241	MFWFSLQTDQZEKL-MULPRWRUSA-N	588.447	6.637	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409226034	RLEMTUIMESTYOK-UHFFFAOYSA-N	610.881	7.281	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	409267122	LZCIFJQTDMPYCS-QDYAICPJSA-N	561.263	5.838	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1OCC	409301435	FQXJONOWZFVBPU-MNDYBZJGSA-N	624.757	7.395	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	409309073	AZIVNRQXNPHUNX-WGARJPEWSA-N	528.905	5.510	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409312440	KYZCVLHGKYIEGG-HQDYHJHZSA-N	623.931	7.432	50	40	KKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3Br)=C2C#N)cc1	409317977	TVWIMDDHYPSTEF-INIZCTEOSA-N	502.459	5.190	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)ccc1OCc1ccccc1	409318387	VETHULSNGVZBRN-COEJQBHMSA-N	530.602	5.196	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccccc1	409319690	KIASWZJJBIZBHR-LJUMEUDFSA-N	635.427	6.799	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409320886	CWGUPAPWDCKEOE-LJUMEUDFSA-N	543.447	6.699	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OCC	409321983	IDGFNNZUTFZLMI-UHBFCERESA-N	620.338	6.751	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	409370543	SSGOREYSGSONOF-OCKHKDLRSA-N	563.279	6.829	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409371424	IYIAFJWOYGYAGD-YBEGLDIGSA-N	546.311	5.660	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccccc2)c(I)c1	409373202	OLVCQWJHKVRKKS-LQKURTRISA-N	536.369	5.796	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccccc1F	409379405	WXZXUWMADYLAKX-GZTJUZNOSA-N	572.818	6.203	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409382539	OOYVQGWKCBSHDT-APTWKGOFSA-N	577.666	6.344	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409388392	UZMIPZAUMDLZQK-GRSHGNNSSA-N	525.359	5.041	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409396924	CZWMAGNZWIHPSA-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409396943	DFHJYDMSSJJRMH-UHFFFAOYSA-N	560.654	6.591	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409396961	DJQNRUXXDBNRSN-UHFFFAOYSA-N	537.959	6.200	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4Cl)c(OCC)c3)c(-c3ccccc3)c2c1	409398475	TZFMTRCTBIXODT-UHFFFAOYSA-N	582.056	7.269	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401887	INEGBKRBGXGREE-OFSKBFHASA-N	564.038	6.014	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1O[C@H](C)C(=O)OC	409402838	LFKZIOADKQTYJA-CPJHJSKFSA-N	685.515	5.974	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OC(C)=O	409405742	VAMIBTFVKOGTKW-ACXHZZMFSA-N	594.462	6.117	50	40	KKGB	
C=CCOc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1[N+](=O)[O-]	409406044	VVJNHELDQIKFBE-UHBFCERESA-N	548.983	6.156	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	1529546742	HDINWDKAZPKAFH-AJXABOPQSA-N	761.449	5.584	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCc1c(Cl)cccc1Cl	1782687	KUWHRDVARISCMH-XZYGTATASA-N	577.508	7.436	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc(Br)c1O	1898234	UQFSONYDZQLGIW-GZIVZEMBSA-N	559.920	5.203	50	40	KKGB	
O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1	2054809	JUYLFDUFVYXNQM-UJENLPDUSA-N	555.428	6.117	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	2297363	JTNSVINVFPOUGG-HSZRJFAPSA-N	530.477	6.403	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196251	MSTUGPLUHDEFNK-DJKKODMXSA-N	560.275	7.506	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	6444280	VFCLOXDFLWUGRR-RUZDIDTESA-N	518.639	5.902	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](OC)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	8672630	BKAIZLBGUQUUEI-WQTAYABTSA-N	509.606	5.528	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	9008295	AGAOWVVXHIKASH-WPWMEQJKSA-N	521.002	5.437	50	40	KKGB	
COc1cc(/C(C)=N\NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)ccc1O	9018908	GSJHRWLXWNTNSN-MYYYXRDXSA-N	510.666	5.330	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	20348541	CYAPDKGQIJJIIM-HSZRJFAPSA-N	514.434	5.790	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccccc1	28217234	KLTXSMQMGGRLAW-PPFNPFNJSA-N	504.678	6.313	50	40	KKGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59856397	NUXLPCRRTTWEEF-BIZUNTBRSA-N	576.074	5.594	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1	59885549	BHPABCGETWXSKH-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	97960708	RACWQLGGBILFKD-KQWNVCNZSA-N	527.418	7.126	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1cccc(I)c1	100063654	QFPVJBPRXVUEOA-JFLMPSFJSA-N	616.308	5.718	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	100141554	XNTHLYOHTQXEER-DLCNMLRHSA-N	612.630	5.395	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	100225075	XJDBDBYJFGJHIC-RRAHZORUSA-N	613.736	5.571	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccc(Br)s1	100853060	HBGNQHUKOTVLRN-GXHLCREISA-N	519.924	5.550	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC	101620133	PCSOGKGJXJIOIZ-XDHOZWIPSA-N	599.445	5.188	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528680	LDYJXFDCAPMFPN-HXUWFJFHSA-N	626.470	11.300	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c(C#N)c1C	110193750	JBAPDCYWBLCKQZ-CIAFOILYSA-N	549.048	6.455	50	40	KKGB	
CC(=O)c1nn(-c2cccc(Cl)c2)/c(=N/c2ccccc2SSc2ccccc2/N=c2\sc(C(C)=O)nn2-c2cccc(Cl)c2)s1	150382430	IHRCRYJOTAXDBZ-XGHKFRFXSA-N	721.742	9.157	50	40	KKGB	
CCCCSc1ccc2n(c1)cc(-c1ccc(/C=N/NC(=O)c3ccc(C(=O)N/N=C/c4ccc(-c5cn6cc(SCCCC)ccc6[n+]5C)cc4)cc3)cc1)[n+]2C	150421092	GAIHETCWQJBXHL-KKSZLVDWSA-P	809.078	8.487	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1	150481231	HAGNDPFBLPHTCS-GOJREDGKSA-N	670.813	5.320	50	40	KKGB	
C[C@@H](Nc1ccc(I)cc1)c1nnc(SCC(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)n1C	150508634	FRQWVXRJTSLTFR-WCHZNGNQSA-N	705.420	6.177	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	162475111	KIKSCKNGIPCGFY-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408537972	ISSWKDMEEROTCY-TZRCHIKKSA-N	684.818	8.883	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(Cl)c(Cl)c1	408585415	DDKICUAAIHMGNO-APSNUPSMSA-N	677.063	7.754	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408648139	JQOFMWFSDQQILI-WFXMLNOXSA-N	537.802	5.321	50	40	KKGB	
O=C(Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408686017	QYASYLFDRYMFPE-IJEZIDCYSA-N	504.380	5.655	50	40	KKGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I	408746297	ROBHSZKROYXACI-WDZFZDKYSA-N	517.548	5.261	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)ccc1I	408746934	IARIJGFJQPBPGE-RPPGKUMJSA-N	644.101	6.168	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408748449	ALDIIIRVGRCSLG-ICUTVXMZSA-N	608.536	6.822	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc2ccccc2c1	408759339	CJZZOTQWDRIDIW-WGOQTCKBSA-N	504.567	6.306	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Br)c1	408764034	HZRCTKQDTNCYEE-YVLHZVERSA-N	530.191	6.475	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1c(Cl)cccc1Cl	408774062	VMZGQVADNJYEPL-PDGQHHTCSA-N	589.317	7.345	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1	408784304	ASTFNLVRYVAXOH-STBIYBPSSA-N	522.026	5.156	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408788168	ITUBSSAHJDMYSA-RQZCQDPDSA-N	591.245	7.187	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(Br)cc1	408788554	DMAWJBPGWGEGEL-CIAFOILYSA-N	584.308	7.352	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c1	408791959	FSOMMKPOTRJOFC-YDZHTSKRSA-N	590.315	8.106	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Br)cc1	408792025	GRORJJBDRWMUNJ-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(I)cc1	408796189	OLGZLEBDMYVMDI-YBFXNURJSA-N	603.254	6.495	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1cccc(C)c1	408799394	YYKZHJGOKNVQEE-WPWMEQJKSA-N	644.509	7.702	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1c(C)ccc2ccccc12	408799712	HTXZALPDAHABNP-MFKUBSTISA-N	525.048	7.942	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccccc1Cl	408815016	SUIAZPAKFYHVAO-LRIZEKIPSA-N	590.123	8.186	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	408815457	RJACUWQKXDLASH-ZMGVVAQMSA-N	560.423	7.085	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccccc1F	408820707	ZJCQJHUAIOVCEN-MTJSOVHGSA-N	627.251	7.471	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408822887	MQWMCAASIAEGIE-JJIBRWJFSA-N	573.874	7.806	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408825223	RRRVTQNYUKHUPD-HZHRSRAPSA-N	618.871	7.714	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OC(C)C	408825444	JYLARDOLRWLFNZ-VXLYETTFSA-N	637.301	7.518	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)cc1Cl	408829735	GBPFAUYGZQOZMZ-OMCISZLKSA-N	626.718	7.560	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408831926	WFGLHFUWKLAXEU-DPNNOFEESA-N	640.531	5.830	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)c1	408833517	RSNLEMWFEHDYRP-KBVAKVRCSA-N	582.078	5.414	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408836003	PBUUDDZKGLWLDP-IBBHUPRXSA-N	590.916	6.703	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	408838375	DWHLXKOYLNJSDN-FJEPWZHXSA-N	549.052	6.221	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408838579	GIWLKEABYSZNBH-QNVXDBMFSA-N	689.558	8.566	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)Cc2ccccc2)cc1	408839557	UIWOPXBTOKFWSF-JTRPDNIJSA-N	503.558	5.251	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1cccc(C)c1	408840225	CNMNGQPABUDZKB-PUHLOBNQSA-N	694.517	7.489	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408844334	NLADGQYHBXLZCF-CDLBOOTPSA-N	722.603	7.868	50	40	KKGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408845876	ZVXQTKWKZHDEOG-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cc2cc(Br)ccc2o1	408846372	KBJGBLGNOARGSM-QXUDOOCXSA-N	605.448	7.992	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	408846921	RUPIQQKOGMTQBT-MUFRIFMGSA-N	514.607	5.568	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1	408861425	AFUKTRSIFRLIFB-QXUDOOCXSA-N	635.142	5.410	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2ccc(C)cc2)cc1Br	408863724	QFTQXLQIXCWMHH-HFRGLDNTSA-N	693.620	5.368	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(I)cc1	408885760	AHTGGAAMWJAATH-GZTJUZNOSA-N	549.195	6.723	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1C(=O)O	408888305	YTVLMGNKNRURDX-CXUHLZMHSA-N	546.204	6.579	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccccc1	408891615	UBBPYQCJXMPFSK-MZJWZYIUSA-N	540.439	5.810	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1	408892776	CIZWDYCYPOFAEC-SFQUDFHCSA-N	531.815	5.724	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc4ccccc34)c(Br)c2)cc1	408892812	CPEXFLLBCMEYOT-RCCKNPSSSA-N	511.375	6.676	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408904916	QIQOIBCGNKCOIK-FXMZOFOKSA-N	548.766	6.653	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1	408942106	FSBXJWGWDHOSOC-LJAQVGFWSA-N	716.054	5.965	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)c(OC)c1	408948632	CZCPXWCDKJWWAF-XZNIKZDNSA-N	701.176	6.200	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cccc(C(F)(F)F)c1	408962038	FXERACNRTNUNIQ-KVSWJAHQSA-N	650.176	6.258	50	40	KKGB	
CCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408969650	RMMBIWZVHHNVAG-GZAYLWKOSA-N	528.436	5.037	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1	408971430	OJVLLGJPEBERFN-WTFXCJRASA-N	648.587	6.925	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c(Br)cc1OCc1ccccc1	408979815	OQBGJCTUQAHRKQ-RBVAJZFBSA-N	636.568	5.905	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I	408984904	UFKWMBAVMJNVRZ-AUWJEWJLSA-N	557.613	6.126	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	409001083	GPLBYLZKOLVIDZ-ATSFVSDYSA-N	569.061	6.361	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409005723	KGWUHOAJCSWPAJ-QQFGBDQCSA-N	549.539	5.505	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	409011175	FAFYKLBNOOMYBA-HYOPGZRPSA-N	624.157	5.673	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	409011835	ITKVEOFCUGNBOC-WOTAJVPYSA-N	668.662	6.757	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc2cc(Br)cc(I)c2o1	409012019	ILERMTYVWKAFEN-QPSGOUHRSA-N	537.966	5.871	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1cccc(Cl)c1	409038112	OMXTVLIDBXVNQY-IZYHBKOJSA-N	631.585	8.911	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409039091	BKIXXVQYXSRVFS-XDHOZWIPSA-N	520.383	5.329	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409071339	NUAAVCZHOXJBQV-XSFVSMFZSA-N	568.007	5.689	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	409118216	NLVAIPQKZSHONB-UXHLAJHPSA-N	670.485	5.124	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409167689	JILRZHKXFNNZDQ-KLPHOBTLSA-N	703.748	6.065	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4C#N)c(OC)c3)cc2c1	409186620	FQMGFDNFQMSBDM-MNDYBZJGSA-N	503.942	5.708	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(I)cc2)c(I)c1	409203136	VJTUMAIXBOXROU-RPPGKUMJSA-N	662.718	6.371	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409225626	QGGBYYKBPCQJOZ-UHFFFAOYSA-N	666.514	6.653	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409251027	NXKXLBZCSDPDJH-AEUUOICLSA-N	713.956	6.712	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	409251050	OAYDYCQJBZKUMR-UCMJSZAQSA-N	537.616	5.754	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccccc1Cl	409255757	IRFFFGHQMQBLHH-GZTJUZNOSA-N	636.273	6.560	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1cc(C)ccc1C	409258961	YMJIIEKZWOJTTJ-FYJGNVAPSA-N	537.538	6.284	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1	409260559	RZJGXWOMOHYKEY-PPDIBHTLSA-N	579.676	5.955	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409268850	BNBAHBKEHRUDFU-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccccc3Cl)c(OCC)c2)ccc1OCc1ccccc1	409271455	LELBKXQLUKOIEC-WBIBEUCMSA-N	727.983	7.102	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)ccc1OC	409326555	LWXFXMJIKSVABX-CPDSRJINSA-N	643.305	6.747	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl	409362947	KOINMDBWXPVTJN-FMQZQXMHSA-N	533.205	7.136	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OCc1ccccc1Cl	409366544	VXWWVHRUICOPRK-DHRITJCHSA-N	590.936	5.959	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Cl)cc4)c(I)c3)[nH]c2c1	409372209	CXNCJGYYRCIIQL-WQRHYEAKSA-N	525.777	6.773	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409373206	OOTDIYYHXCJFDD-VTNSRFBWSA-N	546.023	5.990	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409395711	QWEGPYATDQQSGR-UHFFFAOYSA-N	532.556	6.343	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398910	WJDVVELGUPPXHF-UHFFFAOYSA-N	661.896	7.541	50	40	KKGB	
CCOc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409404543	QEZMBADJPIMYOB-LQNQUEJISA-N	517.582	5.446	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409410379	VZLFMEZDQKNLPE-QPOXNEBCSA-N	624.093	7.311	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)cc1Br	1529547094	IOSFWMIYGBQVGH-PGELQFCNSA-N	736.472	6.229	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	1529547868	QFYRPVROFBEKAL-ZBVWQCQISA-N	753.446	6.062	50	40	KKGB	
O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C/c1ccc(Cl)cc1Cl	1808776	IWKQBAICKJGERX-FMFFXOCNSA-N	512.440	7.823	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3[C@@H]2C[C@H](Sc2ccccc2[N+](=O)[O-])[C@@H]3Cl)cc1	4045304	GUTBZWPDHFRXQM-LVLPDZFQSA-N	532.021	7.695	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	4196143	LQLHSQYBUNRWGF-YVLHZVERSA-N	530.191	6.475	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	8427646	HJIXBERULAMMIE-RWPZCVJISA-N	500.352	5.328	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(Br)s3)n2-c2ccccc2)cc1	9273042	UWWPEZSQSSPKKG-CFRMEGHHSA-N	512.458	5.309	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	33354225	GSRROUZQGOLSLB-KBVAKVRCSA-N	613.479	5.826	50	40	KKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1	59333447	PGDXJAXCQDPAAX-PYCFMQQDSA-N	524.024	5.189	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1C#N	59335689	TUOYBKZBJKQSBS-OYKKKHCWSA-N	512.407	6.482	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)NC[C@@H](CO[P@@](=O)(O)OCCBr)OC	77293277	SXNZFJCEFUIPNB-NRFANRHFSA-N	530.481	6.127	50	40	KKGB	in-vitro
Cc1cccc2c(C(=O)N/N=C(/CCCCl)c3ccc(C(C)(C)C)cc3)cc(-c3ccc(Cl)cc3)nc12	97965732	YZVNCQMGWQWUSS-LSWMGQQCSA-N	532.515	8.314	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	97965759	BUSFMBVVHZJWQP-RQRWGXNHSA-N	587.894	8.268	50	40	KKGB	
Cc1nn(CCC#N)c2c1[P@](=Nc1cccc(C(F)(F)F)c1)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2	97980969	GOPJQOVJFYPZAU-NPHZLXJHSA-N	598.613	7.963	50	40	KKGB	
O=S(=O)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(OC[C@H](Br)CBr)c(Br)c1	97982959	UWDGIABNUNARHY-SSDOTTSWSA-N	765.732	6.812	50	40	KKGB	
CCCCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	98000262	VZGXSBRPYBPWGG-PMERELPUSA-N	552.700	6.572	50	40	KKGB	
N#CC1=C(N)OC2=C([C@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12	100032501	IKOMRXHEXITANB-QFIPXVFZSA-N	527.499	5.371	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)c2C)cc1C	100127499	JBMRSAMWUVTGFA-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(C)cc2)cc1	100380120	JQFVCXZSJJQCGO-VTNSRFBWSA-N	615.608	6.777	50	40	KKGB	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1)N2	102459209	WEZPTBQVLURKIX-OZDPOCAXSA-N	570.542	7.769	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(S[C@@H](C(=O)c2ccccc2)C(C)C)=C(C#N)[C@H]1c1ccccc1OC	102579040	APSOVDLAHNGTRJ-DLFZDVPBSA-N	552.696	6.732	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1	102753516	HHAWKNQQARSUJH-VWLOTQADSA-N	540.085	6.148	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)OCc3ccccc3)=C(C)N2)cc1	102808287	SRLZPNXULIQNQH-MUUNZHRXSA-N	545.060	6.404	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)N1	102808303	QBQSWESQZNCCNY-WJOKGBTCSA-N	623.134	7.179	50	40	KKGB	
N#C/C(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)=C1\Nc2ccccc2S1	103090243	VJWFHHPIXHHYGN-ULJHMMPZSA-N	503.559	5.827	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	150385709	OZXSMJTUJMLHOF-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)ccc1OCc1ccccc1	408538459	NELBIJQNINRLCQ-NLRVBDNBSA-N	520.585	6.495	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccccc1Cl	408544274	USRRLXMHHOIGRO-RGVLZGJSSA-N	536.857	7.638	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1C	408554633	SJONXTFNIAZGRV-ZDLGFXPLSA-N	528.823	6.827	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408566494	AFLGRDFBQDCJDY-VFLNYLIXSA-N	701.300	7.561	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(C)cc1	408566950	BUYWHSYGMHHOIQ-OKCVXOCRSA-N	601.588	6.743	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408580907	FGJSUJUXFPOZMQ-VCHYOVAHSA-N	533.647	7.517	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638022	BMDBSYAYMWUPIR-IMWYJMLKSA-N	756.483	7.817	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408644861	RYNLYMOFDMGDRY-CNNODRBYSA-N	551.829	5.711	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408652445	ONXKLIDYRUUGPF-MCBCHBBLSA-N	568.284	5.916	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408750777	RORGDYGGUMKVBS-LJUMEUDFSA-N	550.398	5.867	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	408779255	SUWMWHOTSRSFPG-BIZUNTBRSA-N	539.657	5.910	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408780225	VRSNLQJERHVUAW-MWAVMZGNSA-N	553.750	5.840	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccccc1C#N	408787797	GKNZBFPLUZYRBT-JVWAILMASA-N	608.492	7.423	50	40	KKGB	
COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408789439	JFLPTOYXZARBEX-WOJGMQOQSA-N	636.227	6.029	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408792750	BYUBDPRZCLMAFA-YDZHTSKRSA-N	685.345	8.310	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	408793192	DFYZLZYMXFUIPZ-GZTJUZNOSA-N	593.646	6.832	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1	408796152	XEKTZGJKFREZJX-VXLYETTFSA-N	632.252	6.703	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1	408798195	VDUZTUYXGUDUFT-DEDYPNTBSA-N	631.264	6.355	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(I)cc1	408799030	XTQSQGXHGWKJQA-LDADJPATSA-N	526.330	5.130	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1cccc(Cl)c1	408803798	AOFGGNBWGHRSNP-CIAFOILYSA-N	539.857	7.188	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(F)c1	408817727	NVJIUIPTUHVUTH-QJOVZPHJSA-N	612.499	7.706	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1cccc2ccccc12	408820228	VYHWZAPITBGNRU-PKAZHMFMSA-N	567.483	7.142	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1cccc2ccccc12	408820257	WFGPDTRNPGWBPJ-UCMJSZAQSA-N	504.586	7.056	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408820467	WIFPILJWGCZUSZ-ZDLGFXPLSA-N	587.345	5.862	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408823455	FKXHZDGTGUGFGG-XSFVSMFZSA-N	523.814	6.792	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(F)cc2)cc1	408825356	ADXKTKFIWZXFFU-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(C)cc5C)c4C)cc3)cs2)cc1	408838038	BNSUUJMLHWAMOQ-DPNNOFEESA-N	533.701	7.650	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	408838355	VIBNNXIJCIOUMZ-PJMBMOBMSA-N	646.769	6.102	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408838763	IBQSQYRALWEIIT-HNSNBQBZSA-N	568.054	6.719	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408838855	JHUVMASQLQHHGS-FDAWAROLSA-N	506.631	7.178	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)cc2)cc(OC)c1OC	408839140	NSNLLLLWIDGJLS-HNSNBQBZSA-N	533.584	6.035	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)Cc1ccccc1	408839837	WRKUPCISMNXVRW-ODNPBWNPSA-N	646.552	7.771	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC	408863401	NTFIJGQHSWUBLQ-CCVNUDIWSA-N	594.915	5.082	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1Cc1ccccc1F	408878094	WKWQKJSYJFWASE-RQZCQDPDSA-N	546.767	6.229	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C)c(OC)c2)cc1	408880747	IOKACKJHYOTXDN-LPYMAVHISA-N	549.421	6.068	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1Br	408883254	SJZAOCUIAKWPPD-WUXMJOGZSA-N	525.153	5.073	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408886748	IVTYXRHMGBGTKE-BIZUNTBRSA-N	611.717	5.755	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	408887901	RYOLLGXIHTYIHN-SFQUDFHCSA-N	561.841	5.815	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1Br	408888127	XCEMHGQXTHQXOV-XDHOZWIPSA-N	545.355	6.991	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1	408888386	VAFSROOCOLYXBI-VCHYOVAHSA-N	512.349	6.425	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(OC)c1	408888790	ASTLXFWNMOPTOB-VCHYOVAHSA-N	585.354	5.341	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408894544	IHZABNUPHXVLIN-WKULSOCRSA-N	523.814	6.364	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1cccc2ccccc12	408898883	NHNCFDFUWXGQRC-HMMYKYKNSA-N	527.374	6.376	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccc(Br)cc1	408904049	CWTNSQQQLZNWKO-PPDIBHTLSA-N	673.143	6.868	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924918	PMXZWXGCQDBQCT-GZTJUZNOSA-N	696.317	5.334	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408927137	ZSOWRJOZJUSVFA-GZTJUZNOSA-N	560.415	5.274	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)c(OC)c1	408949039	DQLSMAQZVGHXNM-PDQWDMBESA-N	950.306	5.808	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(I)c2)c(OC)c1	408957968	WSABQWAJBKDONQ-RZNGARSMSA-N	732.959	5.252	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cccc(C(F)(F)F)c1	408962054	GBHYIEVTWMVJHN-VPUKRXIYSA-N	684.621	6.911	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c2ccccc2)cc1	408980488	RILTVCVOELRHRV-RWGCQLDOSA-N	563.123	5.924	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc(Cl)cc1Cl	408991018	PJJUISZATQWYLY-NHDPSOOVSA-N	541.862	7.817	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OC)c1OCc1ccc(Cl)cc1	409021670	SHGVBNQXCBZWIL-MNDYBZJGSA-N	509.389	6.820	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)c(C)c1	409040277	GETCGZXFWZYKNR-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)cc1	409044996	XBLOQVRIRBBBOR-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409073019	WUNDKKAAGBFHOR-OQLLNIDSSA-N	607.236	5.433	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C2=C1CC(C)(C)CC2=O	409132228	NNABIWSECAGEQQ-VWLOTQADSA-N	635.386	6.726	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1F)Nc1cccc(Cl)c1Cl	409163226	NVVYDDDACZHHLW-IPBVOBEMSA-N	582.213	5.001	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409211479	NUZNPANMDAPVOK-ORBVJSQLSA-N	637.608	7.993	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409221936	BRRBALTWXUDKRP-PTUJBIMJSA-N	666.643	5.562	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409223063	YRLKWLWSTAGESY-FXMZOFOKSA-N	589.086	6.929	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409223135	HEHRFAHJEJTJMF-UHFFFAOYSA-N	734.184	7.483	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c2)ccc1OC(C)=O	409224146	KXJAOLYXQXQWKF-UHFFFAOYSA-N	630.451	5.618	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc2ccccc2c1	409248746	IJXHWHQVBGMCFQ-UHBFCERESA-N	568.386	5.864	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1C	409264582	MJHFTFHLDMTLDR-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409312971	ACBARHBSJDDCLX-FDVSRXAVSA-N	672.779	6.360	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OCC	409318217	XSTPJANPJQPEDK-UHBFCERESA-N	620.338	6.751	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)ccc1OC	409322981	YYDGDHNVEJHHNR-CAQPMQTCSA-N	533.024	6.642	50	40	KKGB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3sc4ncnc(N)c4c3C)c2-c2ccccc2)cc1	409331194	CWLNLHIKWYOEKZ-IZYHBKOJSA-N	542.668	6.779	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409376617	BUHYQYHKEDHBFF-FZKWRIDDSA-N	607.692	6.352	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409394841	GOCHOKYRONEBLS-UHFFFAOYSA-N	750.658	9.312	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cc(Cl)ccc3OC)c(-c3ccccc3)c2c1	409395504	OKSXSJRWMRXVGL-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c(-c3ccccc3)c2c1	409395809	RZJMSGYIGHUFNP-UHFFFAOYSA-N	571.431	6.240	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)c1	409397309	IMLRENKMLSBGER-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397820	OKKGYLJDZNSOQY-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409400635	DVAPUCHUTNTFEH-BIKKEBSBSA-N	583.688	8.071	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3Oc3ccc([N+](=O)[O-])cn3)o2)cc1	409403450	MZRDGJRRMZQDMY-ZMGVVAQMSA-N	596.556	6.034	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccc(F)cc1	409403625	NPXKWUYNNHEAFG-UHFFFAOYSA-N	689.538	6.958	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)c1	409408614	KEEVLOIEXBOEJI-FZKWRIDDSA-N	534.660	7.054	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2ccc(F)cc2)c2ccccc12	1529548521	IDSSYZNFCDKEPB-KLOQDLPISA-N	613.715	5.022	50	40	KKGB	
CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc3ccccc3c2C2=CCCc3ccccc32)cc(C(C)(C)C)c1	2171432776	VNPILGSKRODMEN-UHFFFAOYSA-N	664.958	12.166	50	40	KKGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OCC)cc2)c1O	2356351	AQRXBVGOKGOOFK-RDRPBHBLSA-N	513.623	5.010	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)sc(C(=O)OC)c1C	2445604	QVXAVEDDJOTMAT-QNGOZBTKSA-N	529.643	6.787	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	2750345	IALALLWDAKABMA-OPEKNORGSA-N	596.073	5.696	50	40	KKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)c1	3175248	OGEATMPOFZEABD-VTNSRFBWSA-N	545.477	7.142	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	3584937	GKWAHTRLIHLMEA-KCSSXMTESA-N	579.878	6.076	50	40	KKGB	
O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1ccccc1-n1cccc1	4076847	ZASFAKDDKNWKFH-PPOKSSTKSA-N	509.565	6.767	50	40	KKGB	
O=[S@@]1c2ccc(Cl)cc2C[C@@H](SS[C@@H]2Cc3cc(Cl)ccc3[S@@](=O)c3ccccc32)c2ccccc21	5834074	HDJWIAKCZPDXOF-WZNWLMFPSA-N	587.640	8.603	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1OC	8763803	VYWWYQPRSBSHJJ-KGENOOAVSA-N	510.059	6.901	50	40	KKGB	
CCOc1ccccc1/C=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1	30750383	FUENOXKQKLLZMP-DXJNIWACSA-N	527.694	6.181	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl	58917621	GVGHESKIMNXGQL-WCMJOSRZSA-N	522.501	7.598	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	59201384	CXAYTDZNZCZODQ-WOJGMQOQSA-N	516.222	7.189	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(C#N)\C(O)=N\c3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)cc1	97968654	RFZQDMCXCAWHCJ-GOHCDNDPSA-N	566.466	6.885	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)N(C)C2CCCCC2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	97979240	NMSDHPLJHHOTBS-ACRNLXFHSA-N	535.994	6.396	50	40	KKGB	
O=C(CNC(=O)c1ccc2ccccc2c1)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	97981071	WOJUTUCEUIUUTL-KVAAJVFYSA-N	533.506	5.199	50	40	KKGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1	98001548	KLTMCCXOBURSKH-SGFZWYBVSA-N	611.654	5.523	50	40	KKGB	
Br[C@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1	100058150	CTKLYOLUBMYRCT-ZPZOKNLESA-N	589.526	7.037	50	40	KKGB	
Cc1cc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)n(-c2ccccc2)n1	100842393	VPENQAIMVWAXQP-XANMOXBJSA-N	523.593	5.385	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N\NC(=O)CSc3nc4ccccc4c(=O)n3-c3ccc(C)cc3)ccc21	100850464	VWDIEPMSVPWNHC-APTWKGOFSA-N	545.668	6.064	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(Br)c3)nc3sc4c(c3c2=O)CCCC4)cc1	100852458	PJLGBZSYHIGPFX-MUXKCCDJSA-N	567.534	5.639	50	40	KKGB	
CC(/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)=C\c1ccccc1	100858552	UFUYJYLMVDEZGS-UGADMOPASA-N	533.451	5.446	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccc(Cl)cc1Cl	100902073	XJOLTMCSUJATMS-MWLSYYOVSA-N	544.895	6.835	50	40	KKGB	
Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)c1	100989493	YDXANMUDTQGVCO-YDYXIROLSA-N	552.881	6.476	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)c1cccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)c1	102099005	SQLDJEWGBKYRDB-ORZNUPDKSA-N	548.010	5.936	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)NC(C)=C1C(=O)Nc1ccccc1	102719305	RRDYKXSFJJUJOG-LJAQVGFWSA-N	573.118	6.754	50	40	KKGB	
CCC(C)(C)[C@@H]1CCc2c(sc3nc(SCC(=O)NNC(=O)c4ccccc4)n(Cc4ccccc4)c(=O)c23)C1	103078829	NYCKNQFSYJEKKU-JOCHJYFZSA-N	574.772	5.601	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	103883543	XLBUIPSIBDBWGO-HMAPJEAMSA-N	624.435	5.043	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC	103890583	UHMSGFWQSYZFGB-ZROIWOOFSA-N	541.172	5.554	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1F	103890612	DNSNOYKBYGTBMA-YVLHZVERSA-N	564.238	7.418	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N\N2CCN(/N=C/c3ccc(N(CCCl)CCCl)cc3)CC2)cc1	104084564	YVQPPPUFCBWGDQ-MXEGIGMXSA-N	572.412	5.240	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C(C)=O)cc3)N=C3CCCC(O)=C32)cc1	104100963	IRZZPKPVPILTCQ-AREMUKBSSA-N	501.608	5.929	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC	162474253	DMPHESXRJXUBIX-FABQOPTDSA-N	703.011	6.053	50	40	KKGB	
Cc1[nH]c2ccc(F)cc2c1CC(=O)N/N=C(/c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	199408247	WSPPORHEDKTGEI-IBTHDSTKSA-N	521.436	6.764	50	40	KKGB	
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)[C@@H]2CCC[C@@H]2P(c2cccc3ccccc23)c2cccc3ccccc23)c1	222411810	BVCVBGLXUGAVAF-DOMFRNPMSA-N	622.773	10.350	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1	408538675	BMBHXTNCEOZVHQ-OJYCWLPVSA-N	551.042	7.424	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542584	MJJQGYOKMJSSEI-ITYLOYPMSA-N	509.606	5.754	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(C#N)c1C	408546332	HANJKUMCRZODMG-DJKKODMXSA-N	569.466	6.718	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)c(C(=O)OCC)c1C	408547152	SFRLMLJCEJOQGM-GZTJUZNOSA-N	570.019	5.829	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccccc1	408569883	QULROKILGHJUCN-MUFRIFMGSA-N	587.561	6.435	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	408648516	WOSBTGDLSCIFKD-OAHLLOKOSA-N	831.364	8.577	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(I)cc1	408676426	IPZLAGCUXKDTNS-MUFRIFMGSA-N	681.312	5.848	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408676722	MTRCQDSWODDQAI-ALQBTCKLSA-N	561.513	7.344	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	408712003	VELBOYAYNPVXNR-MWLSYYOVSA-N	590.312	6.281	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408718804	KWBVPGOKSPTIQO-MNFLUIIXSA-N	554.312	7.010	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408726701	VASBYXXRNVONQO-MFOYZWKCSA-N	589.773	5.986	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2cc(I)c(O)c(I)c2)c1)CCCC3	408731952	NPTDCQWZAINGIE-NVJOKUIPSA-N	710.335	5.313	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747513	OZNIOKSXHHXNSV-CHHVJCJISA-N	615.536	8.296	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccccc1	408761692	KTTNKFDMBQMCDX-UYRXBGFRSA-N	510.331	5.424	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1cccc2ccccc12	408762527	OTKMDQGQFMRTMC-HYARGMPZSA-N	560.391	6.578	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1F	408789213	OMWIPJWFLZGNOJ-WOJGMQOQSA-N	574.244	6.874	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)cc1	408790051	MVACUEJHGYLIFM-LPYMAVHISA-N	549.421	6.068	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(I)c2)c(C)c1	408793287	OEFQTZGDRHQZBM-OVCLIPMQSA-N	536.167	5.119	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Br	408793419	FJPWYVRPKBZCCZ-OVCLIPMQSA-N	522.193	5.008	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408818716	YPKZWIATJGZVIA-ODLFYWEKSA-N	560.250	7.748	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl	408826037	BJIPYYIHVHIDRK-XDHOZWIPSA-N	513.808	7.336	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1	408826743	CUDHMPRMJFTFIY-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408834046	UHGFGOLFIAEPNW-JBASAIQMSA-N	609.125	9.659	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	408838065	BVQZROPORXHQCJ-BBUXEPKYSA-N	637.205	8.986	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408839163	OBYOUNWJLAQQHH-KVAAJVFYSA-N	646.950	7.861	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408841699	GVCCYESWTZRCLG-XJECJHNESA-N	662.555	8.510	50	40	KKGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1	408855122	CGLKUKNYWBGNKC-IPHFVPNQSA-N	544.655	6.719	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(=O)(=O)c1ccccc1	408861115	NIQSDVKCAHHUSE-MWBNBJEGSA-N	705.458	7.252	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408862725	LKVOFVRAVVYGRQ-KVAAJVFYSA-N	735.882	7.107	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1)S(=O)(=O)c1ccccc1	408863284	LPBOQAQFYJEGJY-FABQOPTDSA-N	687.012	6.353	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Br)C(=O)Nc1ccc(Cl)c(Cl)c1	408865440	CKCGPTZNRUCAAL-LICLKQGHSA-N	520.641	7.546	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1Cc1cccc(F)c1	408872720	OXXFSQDGVZCQKL-CAOOACKPSA-N	510.319	5.641	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(Cc2ccccc2Br)c(OC)c1	408875037	HXYHNTCCHJKOCW-UDWIEESQSA-N	509.831	6.810	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	408879878	FVNIACVVTOFYTQ-SFQUDFHCSA-N	515.360	5.210	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2cccc(Br)c2)cc1	408884198	SZOPUQDAFGUYEN-ZCTHSVRISA-N	592.515	5.682	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)c1OS(=O)(=O)c1ccc(C)cc1	408891218	NAKRHCNOYILGLO-QGOAFFKASA-N	620.319	6.150	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408896035	MOFIXVDHKWPBGW-LDADJPATSA-N	575.868	6.123	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccc(I)cc1	408898130	UURIEWKETBXWDI-XNTDXEJSSA-N	688.135	6.130	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)c(Br)c1O	408904569	LNNBHIJSAGRRIW-SCDVKCJHSA-N	536.018	5.152	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(Br)cc1	408925233	QQUJQACIFVWYRA-WKULSOCRSA-N	568.265	6.716	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCc1ccccc1	408978401	ZLKMVZPIJYIEJS-HWEYYMNDSA-N	532.422	5.545	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1	408984414	QSWSKLTYNVFHBX-IDUWFGFVSA-N	651.682	6.869	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408995113	JCPBLYKLQRBCOA-ZHSUKTGHSA-N	680.224	8.277	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1	408996885	KIGZBHPJYNHWQO-KBVAKVRCSA-N	576.834	6.338	50	40	KKGB	
COc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)ccc1OCc1ccccc1	409005727	KHNHWVMEHVLTSB-KBVAKVRCSA-N	540.447	5.584	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OC	409016183	UXTSCJPCXPISSE-NUGSKGIGSA-N	622.051	5.734	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	409020953	WDXQKORYNZLXMP-KPZKBOMYSA-N	674.109	7.203	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(C#N)cc1	409035734	KBQQTJMMMSNBGD-QXUDOOCXSA-N	512.569	6.125	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl	409040610	HCOUYQLIZXXSDX-CXUHLZMHSA-N	625.542	7.752	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c(Cl)c1	409052743	HYTAKJHPUCQPRE-LUOAPIJWSA-N	665.096	6.854	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409059718	XGIGWVNUHXXZMO-WOJGMQOQSA-N	585.373	5.311	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)Cc2c(Cl)cccc2Cl)cc1	409135686	RRWHACOGNQFKMC-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	409149682	NCVUZRPCSGHJNZ-UVHMKAGCSA-N	569.226	5.878	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409172590	DGPFUJSWIZLUSV-KNBZMSCYSA-N	689.721	5.675	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc(OC)c1OC	409223701	HVAMCXPDCHTNSK-FTADGFMXSA-N	782.398	6.781	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccco1	409224173	JKSGMNXOPGADSA-UHFFFAOYSA-N	562.376	5.286	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409225305	MSIJBRPLEDTQRE-UHFFFAOYSA-N	665.621	6.365	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409226619	VOKJCIYNJGXCRW-PIDORGFASA-N	736.329	6.484	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc(F)cc1	409244745	ICXZXKWKRZWPCP-KKMKTNMSSA-N	502.999	5.106	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409252917	AAASVHYCKHPJDS-WQRHYEAKSA-N	510.377	5.874	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409255992	MZXSKJCRYAWZCE-YSYOEVFLSA-N	695.028	8.694	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)c(C)c1	409267465	VTHWDGMKKQPJGX-KULFSUQXSA-N	689.035	8.368	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409270719	HMJJRFSZHWSHFH-GRSHGNNSSA-N	524.404	6.182	50	40	KKGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3Cl)=C2C#N)cc1	409315081	NBXATUVACZUDAK-INIZCTEOSA-N	520.836	5.212	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)ccc1OC	409315092	NEMHBTQOWANWNP-YNFMAFFXSA-N	653.755	6.362	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1OCC	409316839	MOQATGVJASXJOM-MWLSYYOVSA-N	543.845	6.409	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1OCc1ccccc1	409320034	BARQTTAZXHXUOF-QMRORBIVSA-N	705.376	7.927	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1OCC	409322489	XUEOHLYDLSUHPB-NUJZUDFISA-N	566.279	6.896	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409359997	CUVRAGQTSQUOSZ-MBTHVWNTSA-N	572.412	5.045	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409370623	BIWTUTFLZJMOIE-WKIKZPBSSA-N	585.307	5.106	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	409372830	NBJYBTWWYBJPHQ-ZRGSRPPYSA-N	537.197	5.936	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409374201	ZSDNEPICSAGSEH-KPGMTVGESA-N	549.986	5.821	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409394618	CWBUDLRMKPSSMX-UHFFFAOYSA-N	691.332	7.080	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395994	UYWPICGEBXJULM-UHFFFAOYSA-N	737.729	9.154	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1	409396462	YOVHXEAQCARJDL-UHFFFAOYSA-N	626.463	6.708	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(Br)c4c3-c3ccccc3)cc2OC)c1	409397174	HCGPTBDZOFPVGB-UHFFFAOYSA-N	628.479	6.606	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409403934	OQKVSKFWCQKLGY-MWLSYYOVSA-N	536.426	6.191	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409406028	VTEZGVCENOIHLD-XVIDZLOXSA-N	737.376	7.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl	1529548138	AQKBMCVPBQFASA-AYSITGFNSA-N	750.897	6.329	50	40	KKGB	
O=C(c1ccccc1)[C@@H](Br)[C@H](c1ccccc1)C1(Br)C(=O)c2ccccc2C1=O	2300386	XFAYQIBHWWWZRF-PMACEKPBSA-N	512.197	5.630	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(=O)O)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2357371	RQZJYBWYKKPZDX-OCSSWDANSA-N	527.650	5.481	50	40	KKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ncc(Cc4cccc5ccccc45)s3)o2)cc1	2670922	KWAZYCBDSNMMNJ-NLRVBDNBSA-N	561.663	7.650	50	40	KKGB	
O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(C(=O)N/N=C/c4ccc(-c5cccc(C(=O)O)c5)o4)cc3)o2)c1	3066713	UJQQQFSNCLQKJI-WMFSDKRHSA-N	590.548	5.131	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	3081629	VLEVHXDMAHZTDK-RWPZCVJISA-N	500.382	5.450	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	3232214	FXQXDZROSMIGAQ-LDADJPATSA-N	525.786	6.014	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(C)c1	3255467	BQLNNOJLXBDQBE-RGVLZGJSSA-N	559.382	7.300	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1	6162692	INFWXLWHDSGBAZ-UXHLAJHPSA-N	535.069	5.478	50	40	KKGB	
CCCCCC1CCC(c2ccc(C(=O)NNC(=O)c3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1	6471853	AAAXAKDLKKWTQA-UHFFFAOYSA-N	516.770	8.689	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)O[C@@H]1SC	8214371	OYSKUZDIHNKWLV-OIYUKZNBSA-N	663.406	6.422	50	40	KKGB	in-man
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1	12250175	CCMOYAJPQSEJEY-NDEPHWFRSA-N	524.646	5.079	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1	20395072	VAQXCOCWKKPTMD-KEIPNQJHSA-N	502.574	6.518	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccc(Cl)cc1	97951891	FLFPNTWKNXCFMO-MHZLTWQESA-N	548.064	5.751	50	40	KKGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCOCC1	97982941	CVLMDQLTHAXYON-XMHGGMMESA-N	557.459	5.176	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1	98006078	WDVUWTITULQMFJ-QFIPXVFZSA-N	612.659	6.698	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(Br)cc3)=C(C#N)[C@H]2c2ccccc2)cc1	98048558	CZXWHEYRSRFOMZ-MUUNZHRXSA-N	631.552	6.332	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC3=C2C(=O)CC(C)(C)C3)cc1	101564558	ACIHWYBBOAAVGN-DEOSSOPVSA-N	542.488	6.439	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	103900312	HMQBTQYGTFPNFC-GOJREDGKSA-N	610.135	7.078	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)NC(C#N)=C(Sc2ccc(Cl)cc2)Sc2ccc(Cl)cc2)cc1	103903902	FZVSMEKUXXWFBV-UHFFFAOYSA-N	513.515	8.298	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C/c1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)cc1Cl	104164805	ZWOVLBCKDNNCGL-CMNXJCJSSA-N	544.310	7.021	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccccc1)=N\NC(=O)c1cc(Br)ccc1O	104316783	RVGGVEVUGOGKTO-HDDKTPPPSA-N	574.439	5.673	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	105627067	VCZWDVWFOSDLSU-DXJNIWACSA-N	552.543	5.229	50	40	KKGB	
CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341724	FSJSGCKGZDDAPJ-HNNXBMFYSA-N	1006.400	15.067	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccco1	150440370	SFESSEPIODRJHK-AUEPDCJTSA-N	651.036	5.594	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795270	WJNIYEZAXUFEOA-OLQVQODUSA-N	673.992	7.820	50	40	KKGB	
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)C(I)I)CC[C@]4(C)[C@@H]3CC[C@]12C	257348911	JZAGLOUEHFUBBB-XMDLNTBBSA-N	680.493	9.136	50	40	KKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408536588	ABBLKBFFUYSCBW-HWIUFGAZSA-N	556.732	7.984	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	408537945	IKFCRZZFRMREIJ-XSFVSMFZSA-N	522.995	8.042	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1	408537950	ILOYELOVQAOHIG-LFVJCYFKSA-N	585.454	6.867	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccc(F)cc1	408545163	ZMEQOYSXXAVUIF-NVMNQCDNSA-N	525.330	5.420	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c(C(=O)OCC)c1C	408546140	DJOSADKUPYDLAM-XQNSMLJCSA-N	646.559	7.623	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554135	ZSHYHCNBXUXYDY-VXLYETTFSA-N	650.300	6.238	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1cccc2ccccc12	408567569	FRCGPQBOZMRYLK-STBIYBPSSA-N	501.677	6.255	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408640523	IGSAZHWKAMGQFD-FDFHNCONSA-N	517.384	5.058	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408644280	QVDXOBHTLSZEEL-LUKWVAJMSA-N	737.228	6.375	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1	408652437	ONCWNXORRDQKIX-GYLOHHHQSA-N	799.321	6.088	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408653336	PNJVJEXTVQHKSV-XMWSTLINSA-N	759.791	5.485	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408678031	XDKKJZFSPYXXGK-WCMJOSRZSA-N	638.333	6.940	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408680213	FYWCUSAKHRSITG-JNYDFHNISA-N	646.119	5.237	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC	408742706	SFJZGLSTRYFUEX-QNKGDIEWSA-N	546.583	6.501	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408743981	CZBIXDSNAMTVDM-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747581	PVWZGPGZHYQMNC-MTJSOVHGSA-N	688.157	8.094	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OC(=O)c2ccc(Br)cc2)c1	408761021	BUEFFTCPORMAFE-DHRITJCHSA-N	510.369	5.052	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1cccc(C)c1	408763241	MFXALOILYNXKQS-JAIQZWGSSA-N	525.830	6.934	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408764515	JANQXCBKYQRRSA-DHDCSXOGSA-N	684.262	5.284	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(Br)c2)cc1Br	408766336	ULBOKLBLIYKHIE-AWQFTUOYSA-N	505.004	5.137	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408792373	AXTDKOABMDZKBI-NTUHNPAUSA-N	529.161	5.717	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	408794351	IVTBDMMFCPITGG-FYJGNVAPSA-N	549.967	5.948	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(C)cc1	408795052	JWWZJQZSMLGXFF-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)cc1Cl	408796344	OUQWESASNFQQHY-VCHYOVAHSA-N	563.222	7.031	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(C)c1	408797826	TWJBFGZIWRNJMV-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Br)c2)cc1C	408800042	NDCSALXIPHSVKL-BUVRLJJBSA-N	525.446	7.652	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408816034	SHSCFAAMKOMLDO-PIMODXEOSA-N	581.500	6.497	50	40	KKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl	408832792	RGQOSLVYTSAJMP-XSFVSMFZSA-N	521.798	6.239	50	40	KKGB	
CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838167	CNWVZJHQORAZGV-AMVVHIIESA-N	613.921	6.675	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)c1ccc(OC)cc1	408839489	TUKGSOGLGVJMSK-BIZUNTBRSA-N	582.569	5.238	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408839813	CMJHDPUHUIJJIG-HNSNBQBZSA-N	665.566	5.129	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1	408841998	NDYRCTSFQQDZFC-FMFFXOCNSA-N	592.117	6.048	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1	408850541	BRBSADBDGAIVTP-JCMHNJIXSA-N	614.045	7.197	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(F)c1	408851499	KQVKGJCXJVDNDE-NVJOKUIPSA-N	623.216	6.291	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408875616	GKPNJQXLNRSBAG-LPYMAVHISA-N	564.991	8.344	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(OC)c1OCc1ccc(Cl)cc1	408877079	PMOXDHAJZJQQIC-ZVHZXABRSA-N	533.024	5.897	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1	408892545	CGTBZRLIHLJOPO-SFQUDFHCSA-N	531.815	5.724	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408894690	KNIRQAZCAYJITB-CXUHLZMHSA-N	551.835	6.277	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(C)c2)c(I)c1	408954391	ZCUGUEWNUNQRCR-NDEPHWFRSA-N	824.479	5.668	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Br)c2)c(OC)c1	408956980	RZXSWSICSRRSMH-FAQSDZBQSA-N	685.959	5.410	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OC(C)C	408966733	NDARVOJLTAYBPX-OPEKNORGSA-N	520.289	5.260	50	40	KKGB	
Cc1cccc(OCCOCCOc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Cl)c1	408971331	GANSMOACMRMIFM-PXLXIMEGSA-N	525.432	6.630	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2I)cc1	408984593	SDOJRFHAHTYINJ-GRSHGNNSSA-N	668.700	7.291	50	40	KKGB	
N#CC(C#N)=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408992028	QBQRDMGVWNMUBC-HDICACEKSA-N	515.576	5.466	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409007503	WYRHGWNVFCPANI-VMWSCHNCSA-N	549.539	5.505	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cc2cc(Br)cc(I)c2o1	409012227	JYCIMZBNKGDUGT-VWJSQJICSA-N	648.298	7.720	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1ccccc1Cl	409017972	OGCKIISERTXCOZ-DBFSUHOCSA-N	609.247	7.086	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)cc1	409025678	YFGWTKCAIXQGSM-ZCTHSVRISA-N	549.096	5.656	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409031192	GRGGHBAJCYHZSW-IZYHBKOJSA-N	696.372	8.555	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OCC	409065910	GIFPWQOTKWYNOR-KBVAKVRCSA-N	576.090	5.316	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409090150	LPXDYOVFZWDXSO-OVCLIPMQSA-N	668.322	6.863	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccc(C)cc2)C2=C1CC(C)(C)CC2=O	409137100	ZZEVZDXTPFSMNU-AREMUKBSSA-N	550.497	5.719	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1	409158012	JRFIZIBSEUCKFI-FJEPWZHXSA-N	516.400	6.279	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409158372	YDSKIXJWUGMMPH-AMVVHIIESA-N	557.434	5.115	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3C(F)(F)F)c(OCC)c2)cc1	409162851	IQRZTOWLIFGQKD-AABVJFSESA-N	712.463	5.604	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OCC)c2)cc1	409170968	XOVZGVOBGPKBDN-ATZGPIRCSA-N	684.531	5.286	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OCC)c3)cc2c1	409185350	XTGHIZOLOWHTKE-MNDYBZJGSA-N	527.404	6.880	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	409217534	CXMYANADILFLEQ-FZPRHHONSA-N	633.013	5.509	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409219421	MJKACXOHOYBVOX-LDADJPATSA-N	631.854	5.915	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccc(C)cc1	409223592	ITSCRVWAFATTDT-UHFFFAOYSA-N	535.600	5.938	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409226172	SOYIIGSKRYTENA-LPYMAVHISA-N	518.013	6.227	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br)Nc1ccccc1	409254902	YHPSRMOIHFWNGO-DLCNMLRHSA-N	705.432	7.860	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)[C@H](C(=O)OC)C(=O)N1	409319257	COXSCCPGWOKTGV-SFTDATJTSA-N	621.351	5.192	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1	409363695	MKGLMMLRFPQOIK-ZRGSRPPYSA-N	504.743	5.023	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(I)cc1	409367583	AZCCOQOHGFHATJ-MFOYZWKCSA-N	629.517	8.113	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(I)cc1	409371879	BBRNOHJIXQDPQL-OCSSWDANSA-N	580.422	6.195	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3cccc(C(F)(F)F)c3)[C@@H](OC(=O)c3cccc(C(F)(F)F)c3)C(=O)O)cc2)cc(OC)c1OC	409382614	VHFKTFAPXOZHMW-FQLXRVMXSA-N	821.636	5.299	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(OCc2ccccc2)cc1	409387602	XCJKXBNROGWQGG-OCSSWDANSA-N	524.602	6.560	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409390701	GQKSCGKNOMTLLL-LSCVHKIXSA-N	568.213	7.779	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)c(-c3ccccc3)c2c1	409395159	KMDLDNCEQYWYSA-UHFFFAOYSA-N	661.350	7.660	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409396282	XMCXGOXBLFPDFM-UHFFFAOYSA-N	694.811	8.062	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409403390	MNYAEATYBSOPEG-CNCDYAKUSA-N	584.456	6.279	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	1529547275	JZUJVZCEKCWNQW-MWKDUONYSA-N	793.478	5.526	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cccnc2)cc1	829775	VIUARUSMBHIVQO-UXHLAJHPSA-N	519.026	5.203	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1820994	DCQRODRJPQMBHP-BIZUNTBRSA-N	525.722	6.906	50	40	KKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccccc2I)cc(C(C)(C)C)c1O	3255378	DRWGYSNPYIMCDB-LFIBNONCSA-N	502.396	6.137	50	40	KKGB	
C[C@@H]1[C@@H](OC(=O)CCl)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C	5733781	YJDLJJSTBAYZPA-PKYGDBKLSA-N	505.227	9.039	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Br)cc1	8386202	LJNYCRNDKCPMOZ-QXUDOOCXSA-N	650.595	6.506	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(I)cc2)cc1	10118596	ONLQGQXLUGXZOF-DHRITJCHSA-N	504.755	5.596	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	12464009	IQHGNILEXDUJCZ-YQYKVWLJSA-N	527.694	6.181	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	58915088	YSMAGBMLACUJKO-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1C	58915419	ILOMEFQOXBIYGJ-NDZAJKAJSA-N	514.651	5.300	50	40	KKGB	
Cc1nnc(SCC(=O)N/N=C/c2cc(Br)ccc2OCCOc2ccc(C(C)(C)C)cc2)s1	59222155	POVZVMKYVVLYSR-VULFUBBASA-N	563.543	5.607	50	40	KKGB	
O=C(N[C@@H](Cc1ccc(O)cc1Cc1ccccc1)C(=O)Cl)OCC1c2ccccc2-c2ccccc21	98044048	MNTGPHNDJLIMSU-LJAQVGFWSA-N	512.005	6.198	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccc(OC)c(OC)c3)o2)cc1	100211272	JTPHNCSURHLLMH-HNSNBQBZSA-N	619.696	5.103	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1	100231793	BSUMVUNLCSHRGI-AMVVHIIESA-N	580.357	6.047	50	40	KKGB	
O=[N+]([O-])c1cc(Br)c2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1)N2	102410902	VLTWEAZQARLVMV-MJZWAZDZSA-N	560.857	7.304	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccc(C)o1	102809994	NPDOYVBEKSGQRS-AREMUKBSSA-N	582.604	6.322	50	40	KKGB	
CCCCN(CCCC)P(=O)(NC(=O)c1c(C)c(C(=O)c2cc(OC)cc(OC)c2)n2ccccc12)N(CCCC)CCCC	102939546	KZNBSYMVJKJYAH-UHFFFAOYSA-N	640.806	8.138	50	40	KKGB	
N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	103033840	VHBOBNLFVKQALY-XFXZXTDPSA-N	552.759	7.328	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	103900549	RATVOSKTDVQQKG-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/NC(=O)[C@H](Cc1ccc2c(c1)OCCO2)c1ccccc1	104050859	SAGRAXWLSPQSAK-OIDVGNHBSA-N	540.491	5.527	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccc(-c2csc(Cc3ccccc3)n2)c(Cl)c1	104083415	PDLMBZSEVCFYAX-CAQPMQTCSA-N	542.963	8.397	50	40	KKGB	
Cc1ccc(/N=N/C(=N\NC(=O)c2cc(Cl)ccc2C(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1	104315692	ZLQPWYDRPWCDQZ-SPGANKEYSA-N	616.125	7.697	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	150385831	VVAQVVYIZVNDPL-ZMGVVAQMSA-N	648.410	6.505	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Br)cc1	150487616	OLGHARGKOGWNHD-YVLHZVERSA-N	621.123	7.107	50	40	KKGB	
COc1cc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc(OC)c1OC	150648725	XARHJCYYGXEWET-DBFSUHOCSA-N	645.359	5.123	50	40	KKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)C[C@@]34C=C[C@]12[C@@H]1C(=O)OC(=O)[C@H]14	257348546	GUHFPOVODRBWFL-NAUQVTLNSA-N	688.818	8.018	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Br)cc1	408533461	SHRCFANDXMQYEO-XAZZYMPDSA-N	550.375	6.008	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	408542242	KBUMJSVAIQHHHV-ODLFYWEKSA-N	507.340	5.238	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)c(C(=O)OCC)c1C	408547015	QJJVGSQRCUZLFE-KOEQRZSOSA-N	567.663	6.861	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550338	GCHXVHLASBOEKF-RQZCQDPDSA-N	817.228	7.437	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCC(=O)Nc1ccccc1	408554717	UAOAZXFKJRMFGX-XDHOZWIPSA-N	605.514	6.223	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408568304	IWFPOYAHRYWFCE-MSXFZWOLSA-N	503.989	5.516	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCc1c(Cl)cccc1Cl	408609524	KCCGMTIHXGNRIW-CCVNUDIWSA-N	500.382	5.368	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3cccc4ccccc34)cc2-c2ccc(-c3ccccc3)cc2)c1	408724568	MCMZLQKZNZSRCR-QCFMCPCVSA-N	506.609	7.432	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408725322	FFIDVNLZXXROLJ-ZTKZIYFRSA-N	555.722	5.332	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(I)cc3)cc2Br)c1	408743565	BDHHIHAHKRQFDK-ODLFYWEKSA-N	633.280	6.586	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccccc1	408759631	IHQCKCZBHRAIRG-ODLFYWEKSA-N	511.803	6.626	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2I)cc1)C(=O)Nc1cccc2ccccc12	408760807	GEVIIQYIVNHEOK-LTGZKZEYSA-N	573.390	6.008	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc2ccccc12	408789019	HFKDFUKWPSHRKS-DIBXZPPDSA-N	643.525	6.678	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1	408793479	FAYDQWHARWRSJM-LPYMAVHISA-N	623.288	7.640	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)c(C)c1	408793603	FOAJRGYBXMYXTH-VXLYETTFSA-N	652.245	6.776	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	408793738	GJDNFGACPMDCPX-FYJGNVAPSA-N	675.317	6.754	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C	408804947	HOKZREYVUSKFCH-WPWMEQJKSA-N	523.032	7.661	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc2ccccc2c1	408807332	BUKYLYVFZBVWRZ-FSGOGVSDSA-N	532.640	6.778	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1F	408819721	SPFZOMATCHCEPK-QJOVZPHJSA-N	568.048	7.597	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(C)cc2)cc1	408824873	ATSOLYJVYUYREA-KBVAKVRCSA-N	586.497	6.306	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408826459	GRHOREUQZSOZDQ-YLYVUXRMSA-N	745.401	7.708	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	408827600	FFICLPACNHPYKR-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)c1ccccc1	408829223	LBIJMUBJULYVGZ-XCMKHJBZSA-N	592.721	5.481	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)ccc1OCc1ccc(Cl)cc1	408831704	VAVICOZZKIHJQD-GOJREDGKSA-N	583.132	6.404	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408846210	REJPSRKQVWNISJ-IPBVOBEMSA-N	581.706	7.640	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	408861030	LEQRVYZZYZOPQX-BQAIUHRNSA-N	521.642	5.804	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408866067	FNATVORCCSJWED-TWKHWXDSSA-N	537.682	5.091	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408871643	ICLFBTKKAILYMT-HNSNBQBZSA-N	596.080	5.802	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1	408878926	DCXIGBADXCWJNB-XSFVSMFZSA-N	646.459	5.180	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OCc1ccc(C)cc1	408882146	NPWASMDQDRVFPN-XZYGTATASA-N	656.605	7.571	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Br)c(OC)c2)cc1	408883335	VCFSDOLIGOAZAV-WOJGMQOQSA-N	572.253	6.353	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	408891566	SMYRTDVAFDGVNR-OVCLIPMQSA-N	611.257	6.286	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	408898044	JTRSLWDZYICMPF-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)c(Br)c1	408922696	GBXBOXZWYSXOQD-WOJGMQOQSA-N	605.124	7.407	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F	408923801	KHJBZJITLVSVOP-HMMYKYKNSA-N	506.911	7.637	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(I)c1	408944621	JDXCOKLAQWBSAL-HHHXNRCGSA-N	781.442	5.657	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408973002	RGWHNLMFFNAXGI-MBQZLDDGSA-N	663.396	6.365	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1	408988598	DYGHSMORSWLQCH-LFIBNONCSA-N	556.581	5.626	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	408999217	TXEHJGWYGAYGRY-KPGMTVGESA-N	611.279	6.991	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409017206	XTJRWAAYXDUPPW-PPDIBHTLSA-N	514.321	5.999	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2cccc(C)c2C)cc1	409024371	KLLNZXBCVQVSCA-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409031939	BRFLDGBNDBOKBQ-HNSNBQBZSA-N	525.568	6.577	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	409047200	NRRYIELYMNYTDH-WOJGMQOQSA-N	501.391	5.924	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409065278	HHDZUBORAWGWGN-XSFVSMFZSA-N	591.007	6.799	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409076626	BHEYXASPAIPLON-VCHYOVAHSA-N	604.379	7.730	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409078524	IFFOALBZGMKQMM-KGENOOAVSA-N	528.521	6.277	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081624	QNPGJTGUJYMWOP-RIYZIHGNSA-N	596.743	7.376	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Br)cc1	409124047	GMIMRJAYOXUNOG-AREMUKBSSA-N	706.419	6.414	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(I)cc2)c(Br)c1	409134062	VNHMESZKVRHWKN-OAQYLSRUSA-N	577.216	5.447	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1	409172361	CVVXYIHOQVISJO-WCMJOSRZSA-N	546.426	6.369	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(Cl)cc1	409189803	SXJZBULZZTXQHA-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)c2)cc1OCC	409218222	DNDPKLBKVMNGMW-UHFFFAOYSA-N	671.703	5.754	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1F	409235976	QXYPBXWYIWGFAQ-ZDLGFXPLSA-N	563.345	7.130	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409248256	DCNNGAHNFBLWHG-MUXKCCDJSA-N	607.832	5.133	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1C	409252761	SUVJWMDDVLEAII-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccccc3)cc2Br)c1	409254820	IVMJTYYBRUKEOU-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)c(C)c1	409255022	GTFVAHIDCNHCOS-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1cc(C)ccc1C	409256788	NESAYFIJHIWLID-BKUYFWCQSA-N	503.986	5.919	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)ccc1OCc1ccccc1	409310233	SMSCEAHMMXUPIX-MZFJOGFUSA-N	523.589	5.364	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409311897	CNMFTYRKFFIWFS-CPDSRJINSA-N	643.305	6.747	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409315416	IRXWAQGUOGSEPC-HQDYHJHZSA-N	589.044	6.367	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1	409324261	RTETVQYMJSLFMJ-GOSISDBHSA-N	563.315	5.793	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	409324935	WRAMHMQCWOFCQP-MNDYBZJGSA-N	542.419	5.657	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4ccc(Cl)cc4Cl)cc3Br)cc2c1	409336947	RHCJSQKGBPNWDQ-AQLQTECXSA-N	606.300	7.642	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1I	409364524	XKBGTXOLBUWILL-NUGSKGIGSA-N	642.073	5.008	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc(I)cc4)c(Br)c3)[nH]c2c1	409372586	FILUFVZMICTKBC-MFOYZWKCSA-N	649.124	7.644	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)cc1	409395742	RERWWJQMFYRZNI-UHFFFAOYSA-N	631.324	7.651	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397409	JNVIJSJPGQCALR-UHFFFAOYSA-N	582.454	6.979	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398266	SAOZCMYGPGZXRD-UHFFFAOYSA-N	728.768	7.847	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409398399	STXGQLXQRYUZCE-UHFFFAOYSA-N	681.370	8.295	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409398534	UHIHRAPISLRLGB-UHFFFAOYSA-N	605.388	6.024	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1	3143636	QUWLISHSRIBEPI-IMDKMEDLSA-N	504.586	5.761	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(OCC)cc3)C3=C2CCCC3=O)sc2c1CCCCC2	3666725	YHHPJBVRDBMDJC-RUZDIDTESA-N	531.678	5.897	50	40	KKGB	
CCCCCC/C(C)=N/NC(=O)CNc1c(Br)cc(Br)cc1Br	8809628	NSLJHSRUSVVGKB-SRZZPIQSSA-N	512.084	5.849	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OCc2cccc(C#N)c2)ccc2ccccc12	8812941	IRAQDVHHHBRHEQ-OKCVXOCRSA-N	514.379	5.825	50	40	KKGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1Cl)OCc1ccccc1	13381940	BWJUCTJPBRYFLD-GFTMIHTRSA-N	509.393	5.463	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc([N+](=O)[O-])cc1	13581969	SXAJWTZGBQAESM-QQXSKIMKSA-N	513.023	5.644	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(F)cc1	59333221	KXNXMTPOQSTLET-KQWNVCNZSA-N	520.004	5.713	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1	59333384	GWVWLDVQHYWRBS-ULJHMMPZSA-N	516.439	5.592	50	40	KKGB	
COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCC[C@@H]2[C@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1C	60291226	GWUJDUKNOAFEOH-BITPBDJCSA-N	638.813	9.294	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1	97944137	UJCAIGZJIWZDSE-QXPFVDMISA-N	538.076	6.887	50	40	KKGB	
COc1ccc(/C=C(/C#N)C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1	97982486	KOHDIFMKHXSXMA-ZLKNRPIFSA-N	536.338	5.196	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)c2C)c1	100119637	KPTPXMIFVMMWTI-SEBMTOOBSA-N	625.194	7.524	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)S(=O)(=O)c1ccccc1	100287722	WCMQOZSPWQYQAT-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)C2=C(O)CCCC2=N1	100703086	MEKCNGOGCCKCEB-HSZRJFAPSA-N	511.569	6.964	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc(Br)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852107	AWBOUEBYGZNAMJ-ZCTHSVRISA-N	592.563	6.635	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C(=O)OC(C)(C)C)c1C	101065607	RHYQZKRBCPYYQM-XDJHFCHBSA-N	545.686	7.442	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N1	101554890	LVDQYRBYLNIZMN-MUUNZHRXSA-N	558.103	6.768	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccc(I)cc1	103844586	VBRQLPXNOHJHPZ-XYGWBWBKSA-N	617.487	6.354	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889364	GFEWIUVCMFCKAK-MTJSOVHGSA-N	552.255	8.034	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889382	XTVKQZNPGPZRJF-NVNXTCNLSA-N	599.081	7.782	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889454	OFIHKISPPVVSMY-NSIKDUERSA-N	605.530	8.841	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103889715	DFZBXSXFLZGSRM-PXNMLYILSA-N	593.204	6.451	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	150427390	QUWNDOAYFNSXAU-ZRGSRPPYSA-N	626.099	6.154	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(Cl)cc1	150440550	LRPBVMUSXHYVNH-YPXUMCKCSA-N	685.514	7.199	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OC(=O)c1ccc(OC)cc1	150477787	SYOUTSVXTZJDSJ-XDHOZWIPSA-N	627.391	5.680	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	162483403	PZTKATIRTRDMRS-ZLNXIQNYSA-N	801.974	9.465	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4cccc(I)c4)c3C)sc3c2CCCC3)cc1	164573220	PRRZSRGUPBJLTL-VTNSRFBWSA-N	636.559	6.964	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795341	NNVGFXOHGHSGEY-UWVGGRQHSA-N	730.100	9.380	50	40	KKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	408538893	QZNZTJWLZINLQI-UCMJSZAQSA-N	577.150	8.329	50	40	KKGB	
CCCCCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408539276	VBAFICRUSCPJGV-KCSSXMTESA-N	567.542	8.584	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539284	VCJHTTWILLGLJJ-LQKURTRISA-N	627.535	7.238	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(Cl)c2)cc1	408539802	YZNHPAWACZKDHN-MFKUBSTISA-N	603.502	8.104	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408541325	ZCSBXXUKKDSTIV-WBIBEUCMSA-N	578.587	7.035	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408542482	LTPLUWDYGFYREN-ZDLGFXPLSA-N	582.382	5.248	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCC(=O)Nc1ccccc1	408552433	UHTORRZZBHOQEW-QRVIBDJDSA-N	513.391	6.693	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1cccc2ccccc12	408569586	OTJLAJPZTXGMCK-MTJSOVHGSA-N	542.408	7.660	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408638642	CWHGSOABLLZLOD-SNDIGXPUSA-N	535.855	5.652	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccs1	408644404	RBOQVJARQLTCQI-XGUBFFRZSA-N	623.150	5.217	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1ccc(Br)cc1	408684592	PFDLOBDPYXIGLN-BDYUSTAISA-N	607.298	7.246	50	40	KKGB	
O=C(O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	408687350	UOZLUUGJRZOEAZ-AHKZPQOWSA-N	597.292	7.790	50	40	KKGB	
CCCCN(CCCC)C(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)N(CCCC)CCCC)cc2)cc1	408719382	DCSJIFXQDBINNB-UHFFFAOYSA-N	597.005	7.312	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl	408723640	YQBDYCBVIBZCTJ-XODNFHPESA-N	507.801	6.154	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408726861	NKIIYXJOWGWIPP-RUMWWMSVSA-N	589.739	5.732	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(C)cc1	408727446	YMGINUNFVSYFDB-NDENLUEZSA-N	507.384	5.987	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)ccc1I	408746699	FUUQLQTXMLPTKA-LUOAPIJWSA-N	709.091	6.149	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)C(C)C)cc1	408754357	QJQQBWBRHBYYGK-XWLBPBLVSA-N	608.558	5.943	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccc(Cl)cc1	408773295	JWKKKCKJAUPUTE-MTJSOVHGSA-N	539.857	7.243	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(C)c(Cl)c2)cc1	408780932	NOOQZUYDRAVLGK-UHFFFAOYSA-N	532.150	6.929	50	40	KKGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408786006	DPWGWYJDCUTWSV-UVHMKAGCSA-N	546.874	5.504	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408786818	OGEYIXFWROJYPO-UVHMKAGCSA-N	540.856	5.309	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I	408790247	OGXLCRHMTNMZSY-LZYBPNLTSA-N	583.220	5.158	50	40	KKGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408791842	DHOXCAHUAGMUFM-XQNSMLJCSA-N	500.551	5.152	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1	408813977	FMSLHEFSEJHEDI-NVNXTCNLSA-N	516.735	5.503	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(Br)cc2)cc1	408828236	LQJWSZLHDVZJPG-XICOUIIWSA-N	642.575	6.835	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408828613	NFZQPCJXGNMQKE-OVVQPSECSA-N	623.934	8.959	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	408835950	ZWYUINZHJNTICJ-XDHOZWIPSA-N	541.829	6.634	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408838339	VEARBHPURROAOG-MOHJPFBDSA-N	654.572	6.261	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408843733	TVUQQYJASPRMKO-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
COc1ccccc1NC(=O)N/N=C\c1c(Br)c(C)n(-c2ccc(Br)cc2)c1C	408855653	FSYPCTHVUPZSKO-MSXFZWOLSA-N	520.225	5.783	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2cc(C)ccc2C)cc1	408859217	QYDGCXPPJRWQDA-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)NCc3ccc(Cl)cc3)o2)cc1	408859846	ZVPCUPLZDZWBFU-HAHDFKILSA-N	628.965	7.163	50	40	KKGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408861839	BBYVDWYGPGZEPW-FMFFXOCNSA-N	550.640	5.159	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccccc2)cc1	408863718	OVRMSPAODUXRDW-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Cc1ccccc1F	408868406	MJXZSKJVPMYNNK-VCHYOVAHSA-N	502.895	7.033	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408868563	NSDLLDNJKDCEIC-DPNNOFEESA-N	701.437	6.453	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Cc1cc(C)cc(C)c1	408873589	SNLNNHUMYCZQRL-YDZHTSKRSA-N	503.440	6.910	50	40	KKGB	
N#C/C(=C\c1c(Cc2ccccc2Br)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	408877392	RGWGTAYNEGUOHF-RCCKNPSSSA-N	512.363	6.647	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OCc1ccccc1Cl	408890345	RQSGZXBVECRXDA-LICLKQGHSA-N	579.221	6.731	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1Br	408891083	LBHNCFUFRUWNOY-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OS(=O)(=O)c1ccccc1	408891352	PBMUKYAREPLVPK-OGLMXYFKSA-N	600.434	5.375	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1	408891826	VWOWQUKYIRVYMY-RPPGKUMJSA-N	522.182	5.748	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OCc1cccc2ccccc12	408892062	AJZDTFKUBWSNET-FYJGNVAPSA-N	604.400	6.276	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408895928	MFBGVMROVHLDSB-ZSNJKBEMSA-N	653.614	7.459	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1cccc2ccccc12	408897622	ZAHNGVWPCDSBFH-PXLXIMEGSA-N	517.412	7.670	50	40	KKGB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)c2C)c1	408904197	GHHKKPZPKMXHCA-ZRGSRPPYSA-N	517.811	5.761	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Br	408904409	JBGUSKDXCSXKGT-AQHIEDMUSA-N	547.631	5.271	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408923486	ITDZUMXJPYJSNL-MHWRWJLKSA-N	639.311	6.036	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1cccc(I)c1	408925347	RGKIJJQIXBTHHC-JVWAILMASA-N	506.343	5.787	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1	408938769	ACRHRZIRHJUGBM-NDEPHWFRSA-N	652.560	5.329	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC(=O)Nc1ccccc1	408953423	WGZJSYZXBWADJW-IDWIKUEFSA-N	684.534	6.847	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2cccc3ccccc23)c(OC)c1	408954201	NEIOZZSRGIGGMR-HLOVGQHQSA-N	874.470	6.357	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)c(OC)c1	408957320	UDHBBTXPQBIHKC-LSTDAIIBSA-N	730.012	5.809	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(I)cc(I)c1OCc1ccccc1C#N	408972650	UDMDJUSOLRTUBI-ZPKHEBNTSA-N	833.292	7.102	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408982381	GRLDHAJGBZDOTG-QRVIBDJDSA-N	575.890	8.088	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408986100	ZOABEFBAHUGYHP-OCKHKDLRSA-N	555.812	6.242	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1)c1ccccc1	409004976	YNXMOEWDBVJYSA-MIHYEXDHSA-N	633.337	6.127	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccccc1C(C)C	409018672	XOOZCCKQBFQWFW-XODNFHPESA-N	604.286	7.095	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	409031566	HKPRIXGMJLLLJL-AABVJFSESA-N	650.316	8.222	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1cccc(F)c1	409066519	OXGUBASZPGCDPJ-LPYMAVHISA-N	524.514	7.096	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409130336	LKZDYXDGOHGIKF-DEOSSOPVSA-N	652.360	6.560	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409133146	MRJKOOLOSBMHDG-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409139114	ABQJXWGUWPWMGH-KEIPNQJHSA-N	622.143	6.062	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1	409164802	OBAGUEJQURTPSZ-VVEOGCPPSA-N	638.302	5.270	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C	409170698	WTCUIIMSIJDUQV-JJKQSNDFSA-N	650.357	6.186	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409183259	AFIUUODIEGHLGX-AMVVHIIESA-N	564.307	7.405	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1	409218108	CSBDZPDGCSBGJX-HGXPLCPTSA-N	568.973	5.883	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1	409225551	QYNVSHYELOBGNW-RQZCQDPDSA-N	548.348	6.884	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC	409226226	PXZHMMRADWXCRG-UHFFFAOYSA-N	756.360	6.381	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)NCCCc1ccccc1	409236390	FRDIAQGNRQPJQV-JCMHNJIXSA-N	554.282	6.447	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1	409252354	DILOTMQNXKXJJP-MTJSOVHGSA-N	639.446	5.266	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5cc(C)ccc5C)c(Br)c4)cc3)cs2)cc1	409253758	GRWHYANWFJWUNP-VHFSBPNMSA-N	668.617	8.023	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409309519	IQSAAXFFQHKLED-WKIKZPBSSA-N	625.257	5.422	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OCC)c2)cc1OC	409313279	BHZPYUZCVZNIGE-FDVSRXAVSA-N	592.405	5.579	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc3ccccc23)ccc1OC	409321752	HKPTZSFGYKWGIN-ACXHZZMFSA-N	612.318	7.115	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409331787	HYNHXDSOOGZHOC-UHBFCERESA-N	529.420	6.308	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccccc1	409332682	LNQFUGMXPMMGOD-HQDYHJHZSA-N	563.025	6.808	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCN(Cc2ccccc2)CC1	409343019	DEZOTDXAVWLELC-UHFFFAOYSA-N	579.044	5.322	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409360022	CYXJDFVBHZNZCB-UVHMKAGCSA-N	569.226	5.878	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409360355	DYCSNMVCBYNYJV-IPBVOBEMSA-N	724.562	6.453	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409380369	LSQAUMGUBSUGGN-GZTJUZNOSA-N	529.902	5.931	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1	409394468	AUTZCNOADDNYPS-UHFFFAOYSA-N	592.833	6.836	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)[nH]c12	409394788	FVUBGGKNPQONFM-UHFFFAOYSA-N	760.664	8.768	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)cc1	409395210	LAPVZRKESDRVOZ-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409395249	LMPACBWNOGVDPU-UHFFFAOYSA-N	618.473	7.151	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409395385	NABRPFOCPPOABJ-UHFFFAOYSA-N	773.707	8.825	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409396927	DBAHBWSYKQFTED-UHFFFAOYSA-N	646.925	7.560	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397342	IWPDFKVFQWPQRZ-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409398920	WMPCCQGYSDXSJI-UHFFFAOYSA-N	687.843	8.095	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccccc1	409398997	GVNCDNJNHZHNCA-UHFFFAOYSA-N	549.627	6.618	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCc1cccc2ccccc12	1529548877	OVFWANMVJYXJQF-YWVSXFKHSA-N	764.642	5.917	50	40	KKGB	
O=C(ON=C1c2ccccc2[C@H](Br)[C@H](Br)c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1854876	JVHXRUYNEQGIHF-BGYRXZFFSA-N	575.169	5.998	50	40	KKGB	
Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc31)C(C#N)=C(N)O2	2399870	QYXBEGBNOBAJGA-NDEPHWFRSA-N	528.399	5.407	50	40	KKGB	
O=C(O)c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	6445748	XAXWAUYMIPGHTD-PHNZBSFLSA-N	559.869	7.094	50	40	KKGB	
C/C(=N\NC(=O)CCCCCC(=O)N/N=C(\C)c1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(NC(=O)C(F)(F)F)cc1	8398776	YZUDPYMGJVXODZ-SHIRMHDNSA-N	614.547	5.019	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2OCC)cc1	8408104	WZPDRNHIMIWOKO-DFKUXCBWSA-N	505.615	5.661	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CCC2	12372217	XPIGPDJVERDJLB-JOCHJYFZSA-N	517.684	5.146	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)c1	20243761	QSYJTJGJMXSHEK-WFMQBCDOSA-N	518.908	6.758	50	40	KKGB	
C/C(=N/NC(=O)c1cccc(Br)c1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	22829140	RFXGTJQOZYLBSI-WKIKZPBSSA-N	505.199	6.162	50	40	KKGB	
COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	53277542	XWFNFULSTJQXBA-OMCISZLKSA-N	636.362	5.917	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1	59222124	WINABIOZHPUQON-QXUDOOCXSA-N	594.465	7.062	50	40	KKGB	
N#Cc1ccc([C@H](Cl)[C@H](Cl)c2cccc([C@H](Cl)[C@H](Cl)c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	68563548	TYWNYRTWAKWVCN-NVPYSNMXSA-N	564.212	7.766	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccccc1	97960775	UMDRLYJFEPIUFU-YVLHZVERSA-N	549.195	6.723	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	97968882	IRDRPQAUNLSEIT-DICXZTSXSA-N	647.550	8.901	50	40	KKGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(NC(=O)Nc3ccc(Cl)cc3)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@H]2C1	98002769	NYZNEOZCCYZRFQ-LUPFDQBXSA-N	544.486	7.722	50	40	KKGB	
COc1ccc([C@H]2C[C@@H](C(F)(F)F)N=C(SSC3=N[C@@H](C(F)(F)F)C[C@H](c4ccc(OC)cc4)N3)N2)cc1	98043202	BZVIHNXGWZHIBJ-WTGUMLROSA-N	578.604	6.428	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3cc(Br)c(C)o3)cc2)c2cccc(Cl)c2)cc1	100100836	JXIRKLSQWUKTLX-OKCVXOCRSA-N	600.922	6.472	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	100225416	XWFXUXRIBMENKR-MUXKCCDJSA-N	532.431	5.406	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(OCc4ccccc4)c3)n2-c2ccccc2)cc1	100342394	SPUNDJNCOVFDSJ-RGXNXFOYSA-N	549.656	5.764	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	100343808	WHYMWFCHRIFAEW-KCSSXMTESA-N	608.120	5.060	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1C#N	103890637	AUMIIHPREGDTSJ-GRSHGNNSSA-N	571.258	7.151	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)cc2)cc1	103896692	LQUZEHCZKMVBFG-KEIPNQJHSA-N	598.725	5.482	50	40	KKGB	
CCCCCCCCCCCCCCCCS(=O)(=O)N(/N=c1/sc2ccccc2n1C)C(=O)OCC	104099948	OMTDUCOANCGIEC-BYCLXTJYSA-N	539.808	7.325	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1	109282876	KMAWDONIIVZENA-RPPGKUMJSA-N	597.101	6.326	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](Oc5ccccc5)CC[C@H]4[C@@H]3C[C@H](Br)[C@]2(O)C1	118927536	ITFRLFYVHXDNCR-ONCMIHBHSA-N	505.493	5.897	50	40	KKGB	
CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	150451642	FYCWTFCWIKBBNZ-JOCHJYFZSA-N	647.901	5.820	50	40	KKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc4cc(Br)cc(OC)c4o3)cc2[C@H](C)CC1(C)C	208315721	RWSFHALHFABTCO-KXVDBBMMSA-N	512.448	6.388	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408551118	BNDMKAAPVXGYAL-YVLHZVERSA-N	558.805	5.997	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)c(C)c1	408552223	PJRGUBZCTWDBEA-CAOOACKPSA-N	652.170	7.698	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408568708	WFJQWHJHCGLTSB-AMVVHIIESA-N	611.307	6.885	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1ccc(Br)cc1	408580491	PTVHSNLRSWJIIT-RQZCQDPDSA-N	566.062	7.756	50	40	KKGB	
O=C(COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)NNC(=O)c1ccc(Br)cc1	408669878	PIHRXPBOBXVIIN-UHFFFAOYSA-N	583.236	5.045	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408677380	QBPXTFLCDZRKRG-BIZUNTBRSA-N	558.476	6.554	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	408723478	WCKOVYJTPGENSH-MLHLUQNXSA-N	546.026	5.236	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(Cl)c1	408740198	JGCBMKVOMMYGPL-WKULSOCRSA-N	523.862	6.681	50	40	KKGB	
O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)o2)cc1	408742993	RCDSYRITMSKWIV-GOJREDGKSA-N	551.602	7.533	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c1	408745082	PGKWKELMFXAPMB-NVMNQCDNSA-N	571.225	6.553	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1	408745754	OWBCWUPMKDEIJE-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1	408746060	WYCJPCVAVYYVJI-NDENLUEZSA-N	570.281	7.043	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408747899	VMPVWLHDRBLZPN-WQRHYEAKSA-N	603.210	5.877	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408789412	PYBSIYGOJLKYPQ-GIJQJNRQSA-N	590.257	6.676	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccc(C)cc1	408790164	ULOHRAODYKVRIN-LPYMAVHISA-N	596.421	5.910	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1cccc(F)c1	408793042	CTIXGPJPFZPODF-CIAFOILYSA-N	570.402	6.516	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1	408797475	RSABQOBGTPPLHW-GIJQJNRQSA-N	544.218	6.784	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1	408798305	VYYPLBOHHRWQJW-YBFXNURJSA-N	511.361	6.215	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Br)cc1	408799183	YGSGLBLFYQGSOI-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408799308	YVPGIFZHQGUANO-VCHYOVAHSA-N	601.251	6.643	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408815295	IZLKYFJQGYRGSA-PPDIBHTLSA-N	650.223	6.060	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12	408818726	OQKQEALSGYSJJI-BRNQEJTFSA-N	567.693	5.984	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccccc1F	408820345	WZVMCHNTOTZYTN-BOPFTXTBSA-N	543.292	5.463	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3C)o2)cc1	408822227	BQMNOIPJNYFROW-ZMGVVAQMSA-N	613.523	5.683	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2cccc(Cl)c2)cc1	408825767	FRXDNWAMRPRMBK-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OC(C)C	408828661	NKSYDAVGSPSCTG-UDWIEESQSA-N	600.307	7.132	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408830074	RCMMCVPZVXMNLV-XZYGTATASA-N	656.588	6.634	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(C)c(C)c3)ccc3ccccc23)c(OC)cc1Cl	408836485	RRGDHCPWGGLUHC-OEAKJJBVSA-N	527.020	7.252	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408837977	PZXVZEYMOJINSL-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408840608	CRDXPWKBBOQVMX-FJEPWZHXSA-N	593.503	6.330	50	40	KKGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408841941	IUOIHNYJINSSTE-OCSSWDANSA-N	531.037	6.382	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408848886	WWWOODBUSJFLTE-UACWCTJZSA-N	650.207	10.096	50	40	KKGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408849427	YKUIHZCPLKLAGF-LUOAPIJWSA-N	555.841	6.462	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408850647	QGFLPRPITLVLHQ-FTCYSYDXSA-N	596.692	7.897	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c1	408869411	DAQXYDHCJUBTAO-ZMFRSBBQSA-N	550.780	5.305	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Cc1ccccc1Br	408872058	JTGJJIMMQKOEMJ-UDWIEESQSA-N	554.282	7.055	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1	408873338	TZFOICPMBIOWFB-BUVRLJJBSA-N	541.445	7.298	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1Cc1ccccc1Cl	408875218	HMFADYOLUCGMJD-UDWIEESQSA-N	509.831	6.946	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408879274	CRQPFUBAUOCMRC-RDRPBHBLSA-N	544.073	5.182	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(C)cc1	408879671	CJHTYPYCEFCEDN-RGVLZGJSSA-N	606.382	7.142	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CSc2nc3ccccc3o2)cc1	408881428	NBYIOJKUKADASF-LGJNPRDNSA-N	540.395	5.061	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2cccc(C(F)(F)F)c2)cc1	408882098	PQTUZNZPXVJCGC-MWBNBJEGSA-N	616.061	6.592	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1	408886096	DGNJZZCCYDLSIC-CXUHLZMHSA-N	621.263	5.742	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OC(=O)c1ccc(OC)cc1	408889518	DMRRUMWNWFKKNC-XDHOZWIPSA-N	627.391	5.680	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OC(=O)c1ccc(Cl)cc1	408891177	MPYUCHPQCZSZIO-JEPNHJGPSA-N	579.137	7.341	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2Br)cc1	408892821	CPOVUHFLAVNPMS-KGENOOAVSA-N	535.394	5.759	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408895550	NGJLACWBTKOZOK-XMHGGMMESA-N	537.424	6.768	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccccc1Cl	408899514	PYTDDCDZWPDROK-IIHBXENTSA-N	653.908	7.602	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408950263	GTGYLPIMCPJLSQ-ILBQVMEMSA-N	893.300	6.510	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c(OC)c1	408955776	PGKYQLIGGMSSSU-HVJLQFNCSA-N	858.855	5.857	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cccc2ccccc12	408983642	GXAXOEPBIAFNKB-LPYMAVHISA-N	561.863	7.697	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	408989144	SIQFDJSDYGPSPE-NVMNQCDNSA-N	604.682	6.996	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(Cl)cc1Cl	408992715	BFLGYYIOUFZBAU-BOPFTXTBSA-N	506.170	7.241	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408996644	LVCYOTSGYIYMMC-ZDLGFXPLSA-N	639.171	8.269	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	409019712	WTWZIDBUJIHZMD-SLJZOWCWSA-N	574.480	6.160	50	40	KKGB	
COc1ccc(-c2cc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4Cl)c4c(C)cccc34)c3ccccc3n2)cc1	409030121	CBKZYTIGDFSJSN-CLHYIUPASA-N	573.096	7.948	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409041427	JKRLJGYYCFIMEC-UDWIEESQSA-N	534.410	5.638	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)C(=O)NCc1ccccc1	409043260	DNEAXYGNIMYBPE-VXLYETTFSA-N	544.218	6.153	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)N1CCOCC1	409088152	DVYIKFMGBCNGFX-NDENLUEZSA-N	650.254	5.394	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(I)c1OCc1ccc(Cl)cc1	409128688	KPEMSXMBAWESEB-FQEVSTJZSA-N	562.795	5.172	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409129453	GDOOOUHUZWEGMP-OAQYLSRUSA-N	597.090	7.021	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Br)cc1	409138399	BEPOICKBYWWRDE-QFIPXVFZSA-N	621.269	5.846	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409160796	JAZICUPWINHIEZ-KKMKTNMSSA-N	665.096	6.474	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409166058	CGHNYVNGYUWPSV-VFLNYLIXSA-N	608.276	5.261	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4)c(I)c3)cc2c1	409184751	MTVSGBDVLSXUFD-MUXKCCDJSA-N	619.253	6.542	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(C)cc2)cc1	409185549	MISOFIXEIYZFJH-QXUDOOCXSA-N	635.142	5.410	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCC(=O)Nc1ccccc1	409211431	JDNKEWSCULMFII-CCVNUDIWSA-N	576.900	5.761	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC	409219115	JBVIGJKZNODXPN-CNWXRKRVSA-N	669.603	5.164	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409244543	FFEYMUZJTITMCV-WQRHYEAKSA-N	548.302	6.435	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1	409253799	BZCUWOYCQXQUBM-LDADJPATSA-N	540.403	5.964	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409254687	IJMUTAQXHRHGLP-LICLKQGHSA-N	557.198	6.201	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OC	409311593	BCIYXPBPUXSHCQ-LJUMEUDFSA-N	596.478	5.511	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OC	409318281	UQUBLRBODORRAF-MNDYBZJGSA-N	544.435	5.881	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1OCC	409322011	KFUSQQZZONEWJQ-YKQZZPSBSA-N	509.002	6.045	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409331748	HQLYGGMDYNPCSH-NTFVMDSBSA-N	549.432	5.489	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409366364	QTGRCFFHWBGSLY-VPUKRXIYSA-N	510.780	5.936	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-]	409368579	COYCSKAVJVMSHT-PPDIBHTLSA-N	630.304	5.014	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C	409372047	DTVCKXSHOALQFB-MWBNBJEGSA-N	572.492	7.906	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(OCc3ccccc3C#N)cc2)c1C	409373261	PMLRFQJIIKOANN-JEPNHJGPSA-N	528.612	6.471	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)c3cccc(F)c3)cc2Br)c1	409394254	XSQXOGMAJUTPRL-OCKHKDLRSA-N	501.193	7.302	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409395963	UOMZOIFMFZUAMB-UHFFFAOYSA-N	685.789	8.939	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)c1	409399129	XXJVWOPKRCFKCN-UHFFFAOYSA-N	522.004	7.088	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1O	409400578	DQEZXAFYEMSCJO-DBFSUHOCSA-N	617.294	6.269	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)O	409403814	ODGXHALCJGXWHM-BVMLUPFRSA-N	610.461	5.655	50	40	KKGB	
CC1(C)CCC(C)(C)c2cc([C@@H](N[S@](=O)C(C)(C)C)c3ccccc3P(c3ccccc3)c3ccccc3)ccc21	1857795178	RNECRLNZVHVLRD-CZNWIGJESA-N	581.806	7.935	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1O	2330410	MRXMZJNQLCOZNX-OCSSWDANSA-N	529.666	5.497	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Br)o2)cc1	2351986	FJJBZFYDPSQTNE-BRJLIKDPSA-N	505.752	5.068	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c(O)c1	2353608	BILSTGIVGFJSEV-JFLMPSFJSA-N	537.736	5.778	50	40	KKGB	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cc(Cl)cc(Br)c1O	2744716	YYNTUKZZVKACAK-KIBLKLHPSA-N	571.284	5.060	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	3236777	URZXXOGWEXOWGD-LDADJPATSA-N	501.302	6.593	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1	8448642	KXHJVLYLSRIUPS-NDEPHWFRSA-N	629.138	7.558	50	40	KKGB	
Cc1ccc(C(O)(C(=O)NN(C(=O)c2ccccc2)c2ccc3ccccc3n2)c2ccc(C)cc2)cc1	8664912	PDSQNEJBQRTCGT-UHFFFAOYSA-N	501.586	5.466	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1	9008937	HTDWDOUPOZDFPB-QRQIAZFYSA-N	510.450	6.182	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)sc2c1CC[C@H](C(C)(C)C)C2	13512906	SWGHYTCSVZYUBF-ZAQQZEBGSA-N	519.736	7.793	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(C)cc1	20760951	SLPKFWSFDGDRIF-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
CNC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)sc2c1CCCC2	26842637	BKKBSKLFNWVJBO-LTGZKZEYSA-N	521.646	5.693	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)ccc1OCc1ccc(Cl)cc1	33412617	BBCRYVTYFZTJHB-FDAWAROLSA-N	500.982	6.124	50	40	KKGB	
Cc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C)n1-c1ccc(Br)cc1	96022470	LUQQLSVFZOJBJU-XDHOZWIPSA-N	539.296	7.807	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	97960785	XPXAFXZCXGFGRD-ZDLGFXPLSA-N	563.222	7.031	50	40	KKGB	
C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	97965706	XGYBSNTZGFBPOB-YRJKAGBCSA-N	553.434	6.236	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)Cc2ccccc2)cc1	100070410	NEOAWACUYIDLDM-CAQPMQTCSA-N	592.121	5.047	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)S(=O)(=O)c1ccccc1	100289528	UNPKPEQCZCGTIF-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	100837545	QRSJYDHCDAYBFQ-MWLSYYOVSA-N	544.895	6.835	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccccc1Cl	100851152	SGWFXPLATXRJEA-JVWAILMASA-N	540.874	5.983	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1	100904239	BXOSPFNECNZGLU-OBGWFSINSA-N	545.393	5.502	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl	100935160	DCLZYQJVGHEMKU-YPXUMCKCSA-N	552.208	5.836	50	40	KKGB	
Cc1ccc(N(C)c2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	102617969	IEQYFJJGAJSYFD-UHFFFAOYSA-N	525.612	7.037	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(I)cc1	103888571	MPHYZHSWFMZIAZ-HAHDFKILSA-N	564.423	6.461	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	104952129	OLZXPIXBXLTLSP-WOJGMQOQSA-N	531.468	7.354	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)c(Cl)c1	105140204	GXMPFVUZSZEQFW-RQZCQDPDSA-N	521.322	7.145	50	40	KKGB	
CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341210	XZJFEGGIXATCDV-RXMQYKEDSA-N	666.100	8.625	50	40	KKGB	
CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341489	LYEBLACQYWQVFI-LLVKDONJSA-N	850.276	12.236	50	40	KKGB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@]2(CC[C@H](Br)c1ccccc1)[C@@]1(CC[C@H](Br)c2ccccc2)C(=O)[C@]2(C)CC[C@@H]1C2(C)C	150343153	OTDWURFYQOPABZ-QLXUWIRNSA-N	696.608	10.842	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1OC	150474871	AWKFXEREKCRSFA-FZKWRIDDSA-N	643.593	5.802	50	40	KKGB	
C[Si](C)(C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169806647	UGGFKKOFJCCLPW-UHFFFAOYSA-N	536.254	6.374	50	40	KKGB	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O[Si](O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)(O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1	263606305	QSOSRZUCTBYVBZ-XJYNJBBLSA-N	967.461	13.584	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccccc1	408538551	OQGCJDJASWPKHF-KZUBHAMTSA-N	723.682	10.181	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408542123	HGNLRVZLXJRURY-JMIUGGIZSA-N	612.376	5.211	50	40	KKGB	
CCCOc1c(I)cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OCC	408542834	LARQCKCAOYGZKD-YVLHZVERSA-N	501.368	6.036	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C(=O)OCC)c1C	408545952	AKWUZTATQCXTNV-UDWIEESQSA-N	586.493	7.015	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	408554715	TZQHQHPGHBVXAX-RCCKNPSSSA-N	507.590	6.916	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	408570649	XIVCMUZRTYHNHH-WKULSOCRSA-N	522.095	6.351	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408581085	UHGMJXLTXANGTC-WOJGMQOQSA-N	563.267	6.361	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)C(=O)Nc1cccc(Cl)c1Cl	408610557	ODNWKOHFODOSFA-ORBVJSQLSA-N	545.637	6.621	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(F)cc1	408676576	KTGMMMFDVDVKIO-OCSSWDANSA-N	587.433	5.772	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)[C@H](Br)c3ccccc3)cc2)cc1	408682655	LBNJOWMYQOFUEH-IAPPQJPRSA-N	542.429	6.792	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408710757	IWXOJSUPLPMTRN-KVSWJAHQSA-N	531.237	6.531	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1cccc2ccccc12	408727622	UVFWAIYQSQYANG-FJEPWZHXSA-N	598.291	6.812	50	40	KKGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408741953	OLHLAVAIMSKTDK-SOFYXZRVSA-N	589.362	6.075	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)c1	408742686	BRJDGKRPZDLEAL-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408744520	LTCJDABQWCEAIB-ZDLGFXPLSA-N	648.251	6.485	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1	408766940	XHWFKQGANWXQOL-YBEGLDIGSA-N	610.711	6.487	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1	408774125	ACLFTFJAWGGGGL-JWGURIENSA-N	515.444	6.252	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)c1	408787890	ANNUHSLFWZFSHD-HAHDFKILSA-N	551.559	6.865	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408794113	HUEHQTJESZYDMR-GIJQJNRQSA-N	526.774	6.444	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2I)c1	408794271	RUFANSIAMUADHX-MFKUBSTISA-N	726.352	7.908	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Cl)cc1	408796156	OIMDKNRECHWFDA-CIAFOILYSA-N	586.857	7.085	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408799407	YYUQWBDYSUMTDZ-GIJQJNRQSA-N	545.806	6.567	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1c(C)ccc2ccccc12	408808879	GRLPXQWLWJGFQF-ZVHZXABRSA-N	602.472	7.503	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2F)cc1	408815765	SASDWGJEOKMGAV-ZXSNDDASSA-N	503.577	6.935	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)c(OC)c1	408822517	CCIQWPZVIOVMCV-BJUCDSOZSA-N	659.548	5.392	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408840047	XGMDVEQPAURBRO-KULFSUQXSA-N	666.970	8.496	50	40	KKGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl	408840529	ZDBRJFFTYQRUEX-IPPBACCNSA-N	535.025	5.831	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)cc(Cl)c1O	408846585	TZEXJEVSTDZMGB-ZNLRHDTNSA-N	533.757	5.720	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(F)cc1	408852218	DPFHXKWQUZLEBM-QJOVZPHJSA-N	659.499	7.548	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408853975	UTEQYAISVHCSPX-MZJWZYIUSA-N	517.807	5.853	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc4c(c3)OCO4)c(I)c2)cc1	408856732	KAEPCILTWSFBGX-KMUKQRDJSA-N	655.492	7.129	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccccc2Cl)cc1	408860321	YVPJMMJUTKDFKF-XICOUIIWSA-N	598.124	6.726	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408860370	ZOHSORQJAPOBMZ-UVHMKAGCSA-N	533.875	6.241	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1	408860833	GCNLIEIYSXNXFB-ALQBTCKLSA-N	683.139	5.589	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/C(=O)NC(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C1=O	408872447	NKULSTCWUPLGAM-QBMIKLFCSA-N	625.660	5.745	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408894011	IBRGBKJTYKDPOT-STBIYBPSSA-N	591.374	5.444	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408925375	RPUQZDBCMRKZHO-CPNJWEJPSA-N	518.356	7.179	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OCc1ccccc1C	408927014	ZHCOAYMWGREGNU-YBFXNURJSA-N	558.803	6.386	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(Br)cc1	408945780	LNVOFWGGUAEWBP-NDEPHWFRSA-N	716.452	5.676	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Br)cc2)c(OCC)c1	408949458	QZDIDPABKPSMEW-LJAQVGFWSA-N	807.505	5.916	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(OC)c1	408957018	SCQFXPKRCHKKDU-PMJAWKLHSA-N	799.300	6.826	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccccc1	408961417	CBXLGZXPKWYWRN-XODNFHPESA-N	507.306	5.819	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408964866	ICENKCLMXQWWGX-WKULSOCRSA-N	544.361	6.600	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(C)cc1	408967984	YJOFNQPGKKOYRZ-UVHMKAGCSA-N	585.354	5.606	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCC	408971175	NKNTXBFMFHKBMQ-POPVJJPVSA-N	664.368	5.844	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	408977941	GCXQEWCBEKJJKX-BXPUGBIQSA-N	587.427	5.178	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1	408984508	ROJILKDCWJYMFU-HMAPJEAMSA-N	521.842	7.264	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccccc1	408985153	VWUATPAEHCCFIN-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc2c(c1)OCO2	408994679	ZNDUMPLGKDNZQD-YDZHTSKRSA-N	531.008	6.629	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)c1	408999673	VLAGHQLJJNJBSV-FDAWAROLSA-N	556.416	5.993	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1C	409002245	MQAYAXYRCDZUDF-SXMPYHCESA-N	518.658	5.271	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	409028872	SACQAIDCRWXVOH-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	409029176	YXDOGCQWAPYAJY-STKMKYKTSA-N	571.699	5.572	50	40	KKGB	
C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409029346	ZRBDTOXWPJVOGA-OXDIXYSQSA-N	578.090	6.016	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1	409039252	CBRXFJBQRMETBM-MHWRWJLKSA-N	592.265	5.539	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409215073	ZRSCDHAYVPVPKL-UVHMKAGCSA-N	578.872	6.231	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409217924	FTINOXNPPHGGSN-UHFFFAOYSA-N	652.487	6.263	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Cl)cc2)cc1	409220083	UBYVCKMTVFERQL-MBTHVWNTSA-N	522.945	5.216	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2Br)cc1	409221238	NDZCIRGEQCKJER-HBEGMLAUSA-N	518.411	5.559	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1cccc(C(=O)O)c1	409226341	NALMLXSYJALAJA-SLCIXIPPSA-N	535.394	5.519	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	409238442	ACHAROCHMNMHIQ-XGICHPGQSA-N	562.136	5.328	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409262486	FIUYZAFAEPCIRP-HQDYHJHZSA-N	640.563	7.406	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409270048	BMHUTOALWOMMFZ-OPEKNORGSA-N	608.199	5.380	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2F)ccc1OCc1ccccc1	409311015	XULRPFJQPKFFQN-KYHGBAKBSA-N	518.972	6.410	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1OCC	409316467	XVYVPAWMHRNQTG-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)ccc1OCc1ccccc1	409323554	OHPQQKMXTUETCT-NKHVPTTDSA-N	626.924	7.324	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OC	409325958	DRZWKNDMOJRLTO-UHBFCERESA-N	622.887	6.484	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409326788	OFOIXOYAVWNTJO-LEWJYISDSA-N	568.866	5.155	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409371288	FVKZATHMLUGEEK-ZDLGFXPLSA-N	514.173	6.763	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1ccccc1Cl	409373759	UKJDLDHLDRAXRF-WCMJOSRZSA-N	523.416	6.897	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409388001	ZOYSCOANSHBQTB-LUOAPIJWSA-N	579.259	7.222	50	40	KKGB	
COc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)c2)cc1	409388391	UZCRAZNARXJCEG-APTWKGOFSA-N	577.666	6.344	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccccc4C#N)c(I)c3)[nH]c2c1	409390401	CWNWHOPNAFEYSK-LSCVHKIXSA-N	658.237	6.296	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409395664	QLMBRMYVUJSXTB-UHFFFAOYSA-N	692.950	7.268	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1	409396489	YRXVGEYKAHTRTD-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4cc(Cl)cc(Cl)c4c3-c3ccccc3)cc2OCC)cc1OCC	409396600	YRTHCEOFQPPRIS-UHFFFAOYSA-N	660.554	8.321	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccco1	409397283	IHWJLZNCFSMCAJ-UHFFFAOYSA-N	528.362	6.174	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Br)cc4c3-c3ccccc3)cc2OC)cc1OCC	409398719	VJNZGWQGUVFQEG-UHFFFAOYSA-N	690.978	8.040	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409403396	MODMBDBXFFKDSE-AEVGBRMKSA-N	736.538	6.800	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)o2)cc1	409405745	VAMTUOVVIMKHJS-KWQVAVEISA-N	649.103	8.324	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1	1529546637	GFTATSQJQCOBBL-IMBFNDCQSA-N	696.440	6.764	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Cl)cc1	1529547639	NFVDKBLUFXDZGO-LLUBMPASSA-N	677.223	5.931	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	1529548368	DXOHIHYXYFKSDI-QLGGRFKNSA-N	716.998	5.475	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cn1)C(n1cccc1)=C(C#N)[C@@H]2c1cccs1	1432881	LVDNZBBEIUTLGX-JOCHJYFZSA-N	505.441	6.346	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@@H]1c1ccccc1F	2072898	QIZDPPIFVFPNRM-QHCPKHFHSA-N	531.531	5.642	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	2085129	IGZLEMFFCAOBMS-KCSSXMTESA-N	582.509	6.303	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Br)cc1OCc1ccc(F)cc1	4047774	HLAOYGYOTOWXHK-WCMJOSRZSA-N	550.428	6.347	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	59432894	LMDKQMPXTIQZOW-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)c1cc(Cl)cc(Cl)c1O	97965729	MVIOINYFAFQMGZ-FTCYSYDXSA-N	519.215	7.375	50	40	KKGB	
C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/C(C)=C\c1ccc(C(C)C)cc1	100081140	LYCUZTDIHJOGIP-IJIAFICXSA-N	538.721	6.650	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I	100102279	IBFGIXJKUUINQE-CXUHLZMHSA-N	584.195	5.623	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	100104500	CLZAXLBIFFVEOX-FDAWAROLSA-N	552.483	6.461	50	40	KKGB	
Cl[C@@H]1[C@@H]2C(=C3C4c5ccccc5C(c5ccccc54)[C@H]3[C@H]1Cl)C1c3ccccc3C2c2ccccc21	101019512	ROMQYQPAGGVZCU-BKLLDKSBSA-N	503.472	8.326	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)CNc3ccc4c(c3)OCO4)N=C3CC(C)(C)CC(O)=C32)cc1	102591422	ASBPRHXVDVFAHC-AREMUKBSSA-N	531.634	5.744	50	40	KKGB	
CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528011	HAOJSOMNGULWCF-ZETCQYMHSA-N	594.140	8.135	50	40	KKGB	
C[C@H](Oc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1)C(=O)O	103794487	GGGZXGFSHUOQAN-VATYCDQCSA-N	529.596	6.427	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl	103900181	WRSNSNUZSKVKHR-CCVNUDIWSA-N	535.497	5.441	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccc(F)cc1	104898828	BQIKLAFPRQBWAD-OCSSWDANSA-N	536.401	6.121	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C(=O)OCC)c1C	108237257	GOMZOCCOYYLTEB-UYRXBGFRSA-N	539.610	5.027	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)[C@@H](Br)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(C)C	118932028	OQIQFVJQPICULU-GRDTWMHISA-N	523.596	7.592	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342208	WBYGVCFMJSKGNU-UWTATZPHSA-N	892.044	10.928	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1O	150373225	FBGAIURKMDYESW-LUOAPIJWSA-N	622.726	5.512	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2cc(Cl)ccc2OC)cc1OC	150474222	UBNSEUKBXWWRFW-ATZGPIRCSA-N	690.016	5.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccccc1	408566917	BLTUMJFIALRLMI-RWPZCVJISA-N	529.083	5.935	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408568430	UCNWHACJYHNRAL-PPDIBHTLSA-N	614.223	6.248	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1cccc(C)c1	408570136	RVPAUWKMTUPKLX-GRSHGNNSSA-N	506.375	6.815	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1Br	408604461	JKYNTXRCDJVDHF-QGOAFFKASA-N	517.383	5.806	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3c(Cl)cccc3Cl)CC2=O)cc1	408610892	UZJUTPHLZBCVMF-INIZCTEOSA-N	548.854	6.121	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408652557	PBQXTWBSTCYUKA-CYJHHTLLSA-N	643.954	7.123	50	40	KKGB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)c2-c2ccccc2)cc1	408732897	UJYZZPGVPNKESU-QXPFVDMISA-N	500.558	6.792	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(I)c2)c1	408746413	YYCVOKARJMQIGA-GRSHGNNSSA-N	538.341	5.453	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408746739	GJWUQTKZGBFSPV-SXGWCWSVSA-N	609.087	7.238	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1cccc2ccccc12	408763668	GHXMTSUOSHDZQK-JCMHNJIXSA-N	560.391	6.578	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408773696	SYHKIKMQGHNWCX-PKJHOJSOSA-N	591.513	6.643	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1	408789244	HTPRRVCXZRVVFG-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408792098	HUZGLEWMHCAETO-LICLKQGHSA-N	640.646	6.674	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3)cc2Br)cc1	408792478	AGFDBCLXUOJZSS-UDWIEESQSA-N	521.367	5.369	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1	408792670	BIGQHQGESPAFLK-HYARGMPZSA-N	504.970	6.040	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408794051	HSAKTZZONNKCCP-CIAFOILYSA-N	535.394	5.979	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)c1	408794983	KUYUCSQONKLMPP-VXLYETTFSA-N	605.245	6.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCC(=O)O	408796814	PIZCYGVEQWIFIL-UDWIEESQSA-N	551.393	5.436	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1cccc(F)c1	408797513	SABVSHLLCJQDJP-SRZZPIQSSA-N	523.402	6.728	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1Br	408827481	HQLIQPCNNPUQBV-AJBULDERSA-N	591.531	5.675	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Br)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408836337	QCZMULPEYHEZCO-ACXHZZMFSA-N	643.947	5.484	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC	408839366	RDLSJXXIEBJPRH-KVAAJVFYSA-N	622.461	6.255	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1Br	408863576	PMYZGANNLOUMEF-MZJWZYIUSA-N	584.323	5.168	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c2cccc(C(F)(F)F)c2)cc1	408864436	VUBPERANPYEPTD-XZYGTATASA-N	630.689	5.187	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408866715	IHLCAFUKLDNUKA-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1c(C)ccc2ccccc12	408872810	JDVKQKPYVSKMII-FYJGNVAPSA-N	592.408	7.025	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1Br	408887750	SZCOBEQXFCYDIT-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OCC	408890195	PMVLSYCHLDANHT-NTUHNPAUSA-N	541.729	5.196	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OC(=O)c1ccccc1	408893360	FFNOFCUEHFTHGF-LDADJPATSA-N	524.314	5.065	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408896534	OFJLVIMVTRZETF-RQZCQDPDSA-N	580.693	7.933	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2I)cc1	408896791	SUOWVHUKJQYGMU-MWBNBJEGSA-N	752.475	8.167	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1cc(C)cc(C)c1	408901083	ZYHMGRNABFKUCI-RGVLZGJSSA-N	556.375	6.180	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1	408946954	NBIKRIFXTQDGGN-MHZLTWQESA-N	645.540	5.597	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1	408949532	REYUZNUJFFWSPV-MUUNZHRXSA-N	749.027	5.417	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408951649	UURSCKZGEZLRHX-CPDSRJINSA-N	629.305	6.446	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c(OC)c1	408955750	PDVABTFDICEPJF-PDQWDMBESA-N	659.498	5.440	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408966590	MIRZDCCEQUKSNR-VVEOGCPPSA-N	611.358	5.408	50	40	KKGB	
CCCCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408968965	DSBDJJUJUFRKQU-HNZKSSIESA-N	665.412	6.589	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1	408970083	AEBPHYFKYBIQFY-GYEYYUOUSA-N	590.507	6.218	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1	408977048	CMYNMXRVVMCMKZ-MSHUQIKOSA-N	603.311	6.118	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1C#N	408982618	ILSDXSRTZSNIOS-FBHDLOMBSA-N	506.389	6.697	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1Cl	408983292	LFGBYRHXBOLFEZ-IUXPMGMMSA-N	686.569	7.903	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccco1	409001571	WOSMZIKIAWGGPN-FSGOGVSDSA-N	510.391	6.931	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1	409014146	PCIZWGXPYLRGJB-XODNFHPESA-N	600.210	6.014	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409031031	GAYNPCDCOFVCSP-KCSSXMTESA-N	522.605	7.036	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409045172	FUTMLLNMUWEOPF-XDHOZWIPSA-N	615.855	6.215	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OS(=O)(=O)c1ccccc1	409066146	LWTNXBGCCOAROC-CPNJWEJPSA-N	531.371	5.522	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)NCc1ccccc1	409068981	TZGVNTVXAHQGSB-LICLKQGHSA-N	521.809	5.638	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409090932	NVFNLARBYRUHHB-RQZCQDPDSA-N	508.874	5.181	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cc(Cl)ccc2C)cc1	409151337	GDQRNMSSEJVJAY-FJEPWZHXSA-N	599.869	5.082	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OCC)c2)cc1	409157577	PTAURSDGLFJGLH-VTNSRFBWSA-N	581.069	5.251	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1	409167671	JEHJXQGUMYMLCS-VTNSRFBWSA-N	672.520	5.202	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccccc4)c(OC)c3)cc2c1	409186410	BTAATLWMZBAFFR-FDVSRXAVSA-N	566.408	5.384	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)cc2c1	409188439	ZEOMZBQQMGVAIQ-DBFSUHOCSA-N	501.341	6.620	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)c(I)c1	409199521	DISFPSRRMXAMNX-DHRITJCHSA-N	536.822	5.766	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-]	409219519	RKLLPDGCKICWGK-LJUMEUDFSA-N	572.961	5.492	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	409222527	DPSHDNFXJSOAKH-LDADJPATSA-N	631.854	5.915	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1	409222715	DMORKIIGJWCVIF-UUKSMGFCSA-N	593.552	5.446	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)c1	409227786	WVGRMBHHJDNKBZ-UHFFFAOYSA-N	696.938	6.372	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(I)cc1)c1ccccc1	409228887	GQNKGXSAINLBGS-OSVNEOKWSA-N	508.359	5.655	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409260035	JQIYHJZMQFQKMG-QDTIIGTASA-N	500.382	5.400	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)c1	409260988	ZKFFFCHVJASZGZ-KULFSUQXSA-N	644.584	8.259	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409268362	ZFIJWBNIAIUKPT-HQDYHJHZSA-N	640.563	7.406	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	409268407	SVLVCGKNSVWNCA-NVNXTCNLSA-N	624.116	7.082	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409316803	MLXKXZPUWIKYDB-FCHUYYIVSA-N	562.475	5.119	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1OCC	409335818	YOMSMNAZGJECTL-NUJZUDFISA-N	521.828	6.787	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OCC	409335896	QFARCWNVBLIDOO-MNBJERMJSA-N	614.480	6.305	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)ccc1O	409367554	ADJLEIAGQCSVOG-QDTIIGTASA-N	615.333	5.201	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409367637	BYJQACRXSLYTLA-WKULSOCRSA-N	662.265	6.401	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(C#N)cc1	409371177	FWYXGOGXDXKPKK-JMIUGGIZSA-N	588.186	6.411	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OCc1ccccc1	409390399	CWKMICGHUWLZBL-ODLFYWEKSA-N	504.384	6.376	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)[nH]c2c1	409393739	ZSHBCJNBPMDMFX-APSNUPSMSA-N	557.217	6.879	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c2c1	409394600	CQFVNEMLQPGGNH-UHFFFAOYSA-N	626.467	6.555	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)[nH]c12	409394806	GCQGGHXOEJBUCT-UHFFFAOYSA-N	839.560	9.530	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)c1	409394874	GXXRFTCCKBKZFZ-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl	409396536	YWZPFLCVDRLSEC-UHFFFAOYSA-N	785.103	9.965	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396552	WNSLXUACFGESBE-UHFFFAOYSA-N	739.406	8.220	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(N(C)C)cc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409397534	KYODUWDNIWIUEN-UHFFFAOYSA-N	655.151	7.343	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(OCC)c1	1529548184	AVEFBLULGAMBKZ-QKRNDYIXSA-N	731.669	6.465	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccccc1Cl	1529548723	MUFUSFJVCCUAFH-JKYKOXDNSA-N	706.446	6.220	50	40	KKGB	
O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1ccc2ccccc2c1	2096715	MWWSDELDWXJZMJ-QXUDOOCXSA-N	542.668	6.428	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1	2697513	UOSDRJDZCSLQBG-NDZAJKAJSA-N	514.651	5.506	50	40	KKGB	
N#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nc1SCC(=O)NNC(=O)Cc1ccccc1	6446108	DWCPYXMRYKUWNE-UHFFFAOYSA-N	513.022	5.423	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9057392	SJPGFQJYSDHNMH-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)CSc2nc3ccccc3s2)c2ccccc21	13897080	MQQVJSNIGYVLCO-OLFWJLLRSA-N	509.701	5.115	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1	20028776	UNVGQXWGPSRFDA-RUZDIDTESA-N	524.086	6.312	50	40	KKGB	
N#Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1I	98001721	ZBZSSLQIQFJQAL-KVSWJAHQSA-N	683.094	5.436	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	100124309	BTAPHRLNTWJJRU-STBIYBPSSA-N	610.490	5.110	50	40	KKGB	
CC1(C)[C@]2(C(=O)Nc3nc4c(s3)CCCC4)CC[C@]1(C(Br)Br)[C@H]2Br	100867863	CBGCKYQNLWIFBQ-SSKCKEOISA-N	541.147	5.646	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)cc1	101036062	PVGVSVMLHCHFBF-PMERELPUSA-N	551.668	6.075	50	40	KKGB	
C=C(C)c1cccc(C(C)(C)NC(=O)NNc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])c1	102967126	AGHKCGHAQUBVSJ-UHFFFAOYSA-N	544.033	5.644	50	40	KKGB	
CCOc1ccc(N2C(=O)c3ccc(C(=O)NNC(=O)c4ccc(COc5ccc6ccccc6c5)cc4)cc3C2=O)cc1	103042583	HUFCPNAJKXSBFV-UHFFFAOYSA-N	585.616	5.693	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1	103880258	PPVDFQRMHPLYQK-KCSSXMTESA-N	523.976	6.828	50	40	KKGB	
Cc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)o2)cc1	104150383	OKTJTTQLCVQVMN-BVRKHOPBSA-N	608.702	6.055	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1	112254299	FJRZPASQIKJAQJ-SYKHQLQBSA-N	621.049	5.152	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1	150469930	UDIMNCXNMIRHKJ-ZMGVVAQMSA-N	629.522	5.383	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccc(Br)cc1	408541660	FARYVKGRAPAQIW-GRSHGNNSSA-N	600.263	6.433	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552590	RCLYIDUHLBSZNE-QMRORBIVSA-N	646.556	7.651	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(Cl)c(Cl)c5)c(Cl)c4)cc3)cs2)cc1	408554322	RQEPEXABLPFFJT-HTVDVWKISA-N	665.002	8.604	50	40	KKGB	
N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1	408568152	IDZFEYGFTJQUMU-WKULSOCRSA-N	568.518	5.907	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408568371	SYOOEFGYEZIZRO-CHHVJCJISA-N	500.730	6.900	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408569638	OYLZDMSDUGHXIU-MFOYZWKCSA-N	537.345	6.415	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	408570787	YNWRSLWJVYCMNC-KPGMTVGESA-N	672.464	7.952	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408601605	BNJXBKHTKZSQJI-HXUWFJFHSA-N	542.463	6.030	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(C)cc1	408726740	UZPGBFRNSAAWJA-UUYOSTAYSA-N	552.412	6.350	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2c(OC(=O)c3sc4ccccc4c3Cl)ccc3ccccc23)cc1	408733589	LFAXKVUAUBJMPX-OKCVXOCRSA-N	514.990	6.700	50	40	KKGB	
Cc1ccc(OC/C(=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccc(Br)cc2)cc1	408733995	BIJCUAIILCUFBK-TVKQRKNISA-N	529.434	5.593	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)ccc1I	408748110	YLOLJLUEXYINLY-LUOAPIJWSA-N	678.546	6.821	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Br)c1	408760434	YPJYUVDVFNSEMP-PXNMLYILSA-N	656.087	7.080	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1c(Cl)cccc1Cl	408784212	UQSWHYJQHNJBNO-ODLFYWEKSA-N	574.302	7.896	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408787866	HAXSGMJDFTXRBK-OEAKJJBVSA-N	791.221	8.362	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408792488	KFZZJZUDOIYZPF-RGVLZGJSSA-N	701.258	7.082	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1C	408792762	CMCOSGYXSQZMEN-CIAFOILYSA-N	505.368	5.889	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1C	408793367	OOLLHDMDGQPJPZ-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)cc1	408796662	ORHQEFJSADVIJJ-CIAFOILYSA-N	535.394	5.677	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I	408798565	VSZKDGZFRJDHOW-CXUHLZMHSA-N	537.195	5.781	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)c4ccc(Cl)cc4Cl)c3C)sc3c2CCCC3)cc1	408810003	JSGWIARPRWFDSQ-JCMHNJIXSA-N	560.550	8.966	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408823092	DOJJKXHWAQGJTE-KPGMTVGESA-N	616.523	6.067	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408829270	OYSMEHGMMUCGNO-VQWGYEAZSA-N	853.044	7.777	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)c3ccco3)o2)cc1	408836403	QVLVBMBQULHARK-CCVNUDIWSA-N	546.432	5.643	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408837291	BRFGODIOVYCBHE-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)c1ccc(OC)cc1	408838589	GMLVDQDNHSKQNZ-JEPNHJGPSA-N	627.650	5.355	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(F)cc1	408838847	JFKDLBSEBOIGBH-QNVXDBMFSA-N	665.972	8.460	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC	408845186	PHDMWLLZXJHCSJ-DPNNOFEESA-N	632.467	5.710	50	40	KKGB	
Cc1c(Br)c(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1ccc(Br)cc1	408846708	ROZWGAZWNNUIKH-KCPOLMDASA-N	564.285	5.827	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408850897	FTFFVCOCHBSDBU-JLPGSUDCSA-N	546.587	5.937	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(F)cc1	408852233	FBAVRFMDXUILNH-VXLYETTFSA-N	531.219	7.393	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(I)cc1	408852459	LCEXDRRDMHESQW-IWIPYMOSSA-N	666.357	7.108	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(C)c1OCc1ccc(Cl)cc1Cl	408856009	GWYLBIRWXKGFDU-KKMKTNMSSA-N	506.227	6.716	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1Cc1ccccc1F	408865559	CVWGCNNKEHZTMT-VCHYOVAHSA-N	513.794	6.695	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408872710	OQYMZLUJRKUACW-CIAFOILYSA-N	505.958	6.334	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408873807	VYCQXDLPOLUDDG-WOJGMQOQSA-N	501.302	6.593	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408885729	FQFXQMWIDFKZGO-CXUHLZMHSA-N	513.293	5.934	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OC(=O)c1ccc(OC)cc1	408886064	HRJBOOODELQWII-MZJWZYIUSA-N	670.241	5.286	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)c1C	408925856	RERBYRVQJSFNFI-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccc(F)cc1	408925986	VZPVIMPVLUKVQH-OKCVXOCRSA-N	521.386	6.483	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2I)c1	408927111	ZQVKMCILBDLGKU-VXLYETTFSA-N	679.252	6.546	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCC(=O)Nc1ccccc1	408943839	MICQHUOECAQUSF-QDTIIGTASA-N	648.251	5.590	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)c(OC)c1	408950238	GQQMGIUTBDDGBE-SXWOMVPGSA-N	715.985	5.419	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408957591	VFAAYBOFVKLZJL-DWGBJLHLSA-N	659.262	5.659	50	40	KKGB	
CC(C)COc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1	408970877	AABUIDMUIHENNM-HFGUYIIHSA-N	556.490	5.673	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408971184	CYMYAPRLMJXPJZ-RNWXLMEFSA-N	586.516	5.826	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408973537	TZJLMCFZASWZAD-PIMODXEOSA-N	579.528	6.365	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	408983390	LVGGVNPUUTWWGG-MFOYZWKCSA-N	597.667	7.685	50	40	KKGB	
O=C(COc1ccccc1Cl)N/N=C\c1ccc(OCc2ccc(I)cc2)cc1	408992635	AQSWUGXHKTUECF-MXAYSNPKSA-N	520.754	5.053	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1	408996596	JAKQURUNIOFIQV-FDAWAROLSA-N	511.965	5.884	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409016739	VNULCFFJSUGKDV-YCPBAFNGSA-N	727.087	5.119	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1	409019312	WJAWQLQZCDIXDC-DIABXJELSA-N	643.568	5.858	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409033857	MNJLLKOPBNPAJL-YPXUMCKCSA-N	666.084	6.128	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)o1	409035116	IVNQTTWCYBXEAX-AQJXRRCFSA-N	570.432	5.861	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2ccc(I)cc2)c1	409062958	DNPZFCZYPIJGAK-RCCKNPSSSA-N	585.873	6.915	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409067637	QEXSDIUAMAKMPQ-LFIBNONCSA-N	503.363	5.315	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409121387	UYDYPNWNNSHUDO-FABQOPTDSA-N	671.013	6.729	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)cc1	409150392	BRZCFRPEWXXTRY-ATZGPIRCSA-N	686.547	5.510	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3F)o2)c(Br)c1	409152768	GEISTHIMTBRTMW-JHDYRUHQSA-N	514.395	5.451	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1	409161958	XQKJRTNOJXWGDL-KVSWJAHQSA-N	578.250	5.171	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409174130	LKZPDJCWJLDBSL-XKJRVUDJSA-N	563.825	5.070	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(C)cc2)cc1	409185045	QOWMBGFHGAYDEM-QXUDOOCXSA-N	635.142	5.410	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(I)cc4)c(OCC)c3)cc2c1	409186553	DSEOVMNXFZMGDD-MNDYBZJGSA-N	618.855	6.831	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)cc2c1	409187338	PCLYHJZSBMIRBB-QDTIIGTASA-N	572.799	6.499	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(C)cc4)c(Br)c3)cc2c1	409188170	XALVARXSZLIQGY-MBTHVWNTSA-N	507.384	6.245	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409189780	SQQCTJZCLJRYPM-WQRHYEAKSA-N	514.376	5.301	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)/C=C/c1ccccc1	409222935	FHYTTWATLAPHBO-FUHJSAIESA-N	623.662	5.746	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1	409225995	RCNVMTHQALJXDU-MWLSYYOVSA-N	501.926	5.477	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409242063	UHQSYYFBOFILTH-LZAZYHHXSA-N	566.427	5.789	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1C	409257546	SSKYGJUQGNPCSY-RODHXAHZSA-N	733.486	8.477	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1	409261464	DCRHVOURKMPTMD-JAIQZWGSSA-N	552.414	5.960	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1	409264595	LETSPVGCRKRPLK-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409264797	QJXJQYGFVRJULB-MUXKCCDJSA-N	516.381	5.182	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409324400	TZYJXLWLVKAURL-DBFSUHOCSA-N	582.278	6.515	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc2c(c1)OCO2	409356609	GGDAUJDPECAXHZ-OPEKNORGSA-N	532.188	5.283	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	409375863	QBIUCFREEJTXTJ-SXGWCWSVSA-N	528.746	5.841	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1cccc2ccccc12	409387906	YFPGCJBZILYUOB-MNDYBZJGSA-N	590.455	7.077	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCC(=O)Nc1ccccc1	409388026	ZVHBZJAELLHCFR-UVHMKAGCSA-N	583.420	5.362	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409392077	NUAQWNLQWZTJGI-FZPRHHONSA-N	645.324	7.468	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)cc1	409396102	WMHPGIDLRZUGTI-UHFFFAOYSA-N	621.318	8.196	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4Cl)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409397319	IPTCVAXHVIYHHG-UHFFFAOYSA-N	616.501	7.922	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)c1	409398127	QVMJGBCLESMOAY-UHFFFAOYSA-N	576.867	8.087	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409399289	ZAFTXBGQFWIDSS-UHFFFAOYSA-N	662.526	7.549	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409401446	HCJJHDDCEGNIBF-WBIBEUCMSA-N	702.549	6.961	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4Br)c(Br)c3)o2)cc1	409404289	PRHKITGUSBGYQV-RODHXAHZSA-N	756.289	8.897	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)o2)cc1	409405435	UAJWLESYSITZJY-FZKWRIDDSA-N	607.623	5.956	50	40	KKGB	
CC[C@@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409405702	USQCEGIAVPUGRS-ZDSCIVGOSA-N	560.607	6.124	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409406904	XYIOLJDDIYKNSL-UHBFCERESA-N	548.983	6.156	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1	1529548016	VLLXDJLKGPPFGX-XINRNAFCSA-N	689.991	5.706	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	1529548083	XFKGZNPIVIOZEF-HBPAGYSFSA-N	716.998	5.475	50	40	KKGB	
CCOC(=O)N[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)F)P(=O)(c1ccccc1)c1ccccc1	2072555	HOJHMVPIJPIFPX-MRXNPFEDSA-N	503.326	5.244	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1c[nH]c2ccccc12	2096912	XTUVPZSEFLRRBC-UAMLYTHZSA-N	530.057	5.645	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2321534	QYPVUKTXIRAZSZ-STBIYBPSSA-N	515.639	5.188	50	40	KKGB	
C[C@H]1C(=O)[C@H](Br)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C	5733771	RKDXAWVGESLWJN-QCDJWZCHSA-N	505.625	8.830	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	6190612	CJBYDSQSCLKCLP-ZHDAQUIUSA-N	587.312	5.340	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(I)cc1	10476102	JOHGDXZHFLYSKJ-JVWAILMASA-N	506.343	5.787	50	40	KKGB	
Cc1ccc(-n2c(C)nnc2SCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)cc1	13075678	QEXWHNHRNJYEHC-OKCVXOCRSA-N	509.557	6.062	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1	33572785	GZUKVOHJCNMDHX-UEKTYDJUSA-N	508.430	6.367	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1	59117044	YYCZNMSSKKAQMK-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2cc(C)ccc2C)cc1	59647281	DFPLCDFYPICCIX-FMFFXOCNSA-N	535.669	6.264	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	97960870	HHQSJMKLWXHOMO-GWPLEXMSSA-N	693.250	11.353	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1)c1cccc(Cl)c1Cl	97962658	HEYIDSFWQJODJQ-WKULSOCRSA-N	542.444	5.582	50	40	KKGB	
c1ccc(Sc2nc(-c3ccccc3)nc(Sc3ccccc3)c2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	97982954	NVPVNDFUUQCBBC-UHFFFAOYSA-N	633.802	9.065	50	40	KKGB	
O=[N+]([O-])c1ccc(N=P(c2cccc3ccccc23)(c2cccc3ccccc23)N2CCOCC2)c(Br)c1	97983130	GPYGBATVQLCVSF-UHFFFAOYSA-N	586.426	7.395	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(c1ccccc1)N1CCCCCC1	97984756	OVOQDJBUANCYSQ-LHEWISCISA-N	592.478	7.435	50	40	KKGB	
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)N1	98000163	ZKURYNRFFQLQEZ-GDLZYMKVSA-N	574.102	7.152	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	98043584	LFSKDZUPBUQISP-HKBQPEDESA-N	580.109	7.304	50	40	KKGB	
C=CCn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1	98045857	WRLMVLRQMQPKFZ-MUFRIFMGSA-N	607.490	5.623	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccc(I)c1	100056393	NTVUGFIVKMFPBE-ZMOGYAJESA-N	535.179	5.397	50	40	KKGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1	100068015	NDVZRODPOCBOBD-VKVKMMGJSA-N	586.443	5.037	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100119029	XKSJKKLVCPYXKA-WEHZEOHNSA-N	577.537	6.939	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100124281	LCJDEJLGGHFAIA-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1	100129407	GNDBNWQRZPMQBZ-FDAWAROLSA-N	549.096	5.397	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCc1ccccc1Cl	100176721	RMYTYOPBPNDTRD-KVAAJVFYSA-N	618.915	6.699	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1cccc([N+](=O)[O-])c1	100852541	VEAMUKRGNSEKLF-RHANQZHGSA-N	547.662	5.175	50	40	KKGB	
CCCCn1c2ccccc2n2c(C(=O)N/N=C3/C(=O)N(C)c4ccc(C)cc43)c(-c3ccccc3)nc12	101034513	HGWOFPYTNIBNOI-HMZBKAONSA-N	504.594	5.175	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccccc1Cl	102719080	IRVWIKFVRZHLQS-MHZLTWQESA-N	551.112	5.865	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1C#N	103890407	QJYAEYOEPPGBQZ-GRSHGNNSSA-N	526.807	7.042	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)OCC	103890859	RUKTUKFYBMYEHH-YBEGLDIGSA-N	538.225	5.972	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](Cl)CCl	150341002	YXHYILYUUIAIFW-UWTATZPHSA-N	617.020	8.113	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](Br)CBr	150341057	AKGKRBPGTSVAEO-UWTATZPHSA-N	805.936	9.695	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)cc(I)c2O)c(C(=O)OCC)c1C	150658376	GRNUWFCXWCFKIK-AWNIVKPZSA-N	679.270	5.044	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc(I)c1OCc1ccc(Cl)cc1	163906261	OQTMUYJTHXSSLF-IURWMYGYSA-N	648.885	5.173	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	216061575	WDXPFDOJMVFLRT-MZJWZYIUSA-N	591.256	6.252	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2	229906566	QSIKETLMFYAUIR-MNXOXPQXSA-N	639.709	6.296	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]2Br	257173622	SNQFBXJBDSOATB-UVBJJODRSA-N	525.035	5.219	50	40	KKGB	
CCCCCCCCNC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)NCCCCCCCC)cc2)cc1	408720403	NIMJODGNXCWWGS-UHFFFAOYSA-N	597.005	7.408	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cccc(Cl)c1	408722827	NQIXDAKARFYKTF-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408737496	BQFSUPJDQNLGPF-DHRITJCHSA-N	518.205	5.320	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccccc1	408743411	SYYOYTKHOYDONM-YVLHZVERSA-N	530.191	6.475	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408745688	OGIWUBZPHKGZRR-UCQKPKSFSA-N	590.417	6.586	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I	408746246	CXBZLMWBYHTYJA-OHUYPAJKSA-N	666.313	5.891	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)ccc1I	408747278	LMZPLKXPLOLECO-KKMKTNMSSA-N	613.221	5.553	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2)cc1	408756784	XFQJILIQDYUOPS-CPNJWEJPSA-N	537.357	5.163	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408757494	YEYNTRSLDWHXSV-CXUHLZMHSA-N	606.838	5.723	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408764088	RNYFFVAECVNPCH-YVLHZVERSA-N	591.097	7.099	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408776224	XDKDWGQPKMQFEX-FJEPWZHXSA-N	553.006	5.079	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408779771	KEOUYVISKBRICB-OCKHKDLRSA-N	560.275	7.506	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2I)c1	408788330	JPHVERJRCMHAOC-SRZZPIQSSA-N	648.282	6.946	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408790376	VWCWCZOTVYZPFH-VXLYETTFSA-N	604.284	7.066	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2I)cc1	408796641	OOUWRZBFZIGKKW-SRZZPIQSSA-N	601.282	7.104	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(OCC)c2)cc1	408801708	BCJBPXLXELOABD-NLRVBDNBSA-N	534.612	6.848	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408806279	MKCNHMJLLZBMFS-LPYMAVHISA-N	700.314	7.491	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1	408806709	BBYURQICLHAJQN-JMIUGGIZSA-N	572.374	5.250	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OCc2ccc(Br)cc2)c1	408825172	AMXZDIBTLHZIQR-LFVJCYFKSA-N	603.900	7.815	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OCC	408825253	JKCFZKODGQCYOD-HZHRSRAPSA-N	547.449	6.846	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(C)cn34)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408825533	CYENEGUKFBSFST-ZMGVVAQMSA-N	590.105	5.661	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc(F)cc1	408828499	MOHIVYCTPPPNCL-KOEQRZSOSA-N	601.472	7.691	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1cccc(C)c1	408831281	QMJGHQHVOSHFEY-AFUMVMLFSA-N	666.399	9.167	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408831830	VOPPLMDRADLWQS-AABVJFSESA-N	586.035	6.265	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408834755	VGBYQVQBCIAAAJ-XIEYBQDHSA-N	613.928	9.504	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)NCCc3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408836255	ZSRZYIRTNWDRCE-HQDYHJHZSA-N	627.550	5.095	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408838824	IXGYTYTUBDWACN-XAZZYMPDSA-N	690.947	6.526	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1ccccc1	408839705	VLMOWWDGXDWTKK-KBVAKVRCSA-N	526.065	7.379	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408839958	DQAPAUHZKVYQDD-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408846651	YAKQBZTXAKFAMT-JJKQSNDFSA-N	620.009	6.748	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc(C)c1OCc1ccc(Br)cc1	408849903	AMPWFKIFQHKXMR-KBVAKVRCSA-N	530.466	6.816	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)cc1	408858965	VBVRHUGXONTMTD-FZSDHLTPSA-N	613.161	8.857	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1Cc1cc(C)cc(C)c1	408872735	PIMMGMTWSPNJAB-FSJBWODESA-N	550.440	6.670	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408877296	VBCHUVJDLWYHIM-UZWMFBFFSA-N	542.705	5.619	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl	408889711	GAUGKQMEMBKALD-OQLLNIDSSA-N	522.215	7.433	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OS(=O)(=O)c1ccccc1	408891332	OSMMAEQRBUPOKO-LGJNPRDNSA-N	619.264	5.528	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OCc1ccc(Cl)cc1Cl	408904192	GETSKQMXCMSTFA-CPDSRJINSA-N	577.306	7.536	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c(OC)c1	408957797	WADUCZSOHBCFJY-XUZOPOBUSA-N	718.210	7.193	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408960744	IJSDMMBQZJZDSR-LUOAPIJWSA-N	563.191	6.753	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c3ccccc32)c1	408964122	OUJMGXRDLJTMLF-AVNHEVCTSA-N	607.582	7.062	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	408970547	BEZUKGSDUCHYEM-IEBNKFCASA-N	584.887	6.552	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408970707	CDRDMFITHJAKNV-ZMEJIWCMSA-N	530.452	5.604	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br	408976390	AQJSLTRSUAPMQW-VJWWNUEDSA-N	559.258	5.232	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1cccc(C)c1	408979309	MJWGGGBQQQROHH-VNXYKSSOSA-N	521.617	5.594	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1	408987597	BJBHCXNJXZZUAA-RCLWOPNXSA-N	601.685	5.854	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1	408991101	MSMSGVYRBYYYDV-YMHNHTLVSA-N	644.134	7.234	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)ccc1OCc1cccc2ccccc12	409012525	IOUOERIIYHBNLV-QNKHSMSSSA-N	581.713	6.104	50	40	KKGB	
C#CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc23)c2cc(C)ccc21	409030450	DIBGTXUJAAYHSJ-OHUYPAJKSA-N	505.021	6.832	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1	409044484	VHDRGTYVEYCWAB-LICLKQGHSA-N	621.123	7.107	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccccc2)cc1	409045619	GSDATAVFKMNKAS-WOJGMQOQSA-N	533.241	6.352	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409047603	OYHKAQWVUHSKBU-UDWIEESQSA-N	536.382	6.146	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409078145	HSJVNQQYRQVVOE-OQLLNIDSSA-N	616.324	5.550	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409133516	MCEQBJCKPVPBOL-VWLOTQADSA-N	510.009	5.441	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1F	409140478	FKRGPVLGVGSXAM-QHCPKHFHSA-N	526.406	5.296	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)C2=C1CC(C)(C)CC2=O	409145614	RAWDUVPFFDMJGR-LJAQVGFWSA-N	663.556	6.415	50	40	KKGB	
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409178632	HDCZMUACGPUOAX-UCDDGIFISA-N	658.299	6.171	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(I)cc1	409188306	GCZVLJNPFMVTSD-MUFRIFMGSA-N	574.846	6.415	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1	409239523	NPODPXWSWHHUCS-MAGMUUGSSA-N	595.437	5.492	50	40	KKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc2)cc1	409243819	UTEUCSFLPMURQA-WYMPLXKRSA-N	520.246	6.141	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409255848	LHVXOPWBYLCCMD-CIAFOILYSA-N	597.409	6.297	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1	409257902	UIDSZUXGGULDSM-PPDIBHTLSA-N	579.676	5.955	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409259148	XTWLHWACNZXNKZ-MUXKCCDJSA-N	524.961	5.045	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1	409265749	OMOCIQQRGHZBEH-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)c1	409270361	DRUMCWQGHMKBFG-RQZCQDPDSA-N	548.348	6.884	50	40	KKGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(Br)cc3CC)=C2C#N)cc1	409317375	PIHBMJHUWBIWOH-HXUWFJFHSA-N	528.472	5.429	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCc3ccc(Br)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409317965	SHYBNUBVGSPRHO-VQTJNVASSA-N	535.847	5.172	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409321055	RMSWWFLMRCEUTI-NHCUHLMSSA-N	582.893	5.464	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1OCC	409323630	OUPJKNZJOYUNID-MZFJOGFUSA-N	515.009	6.800	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409372409	XJWFDKQBZYGWLO-OCKHKDLRSA-N	524.327	6.307	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	409373282	PRSUZGRISYTNII-FDAWAROLSA-N	505.530	6.253	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409394993	INBJWBDENGQRPW-UHFFFAOYSA-N	729.347	8.761	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396439	QNFMRCKQHZFZPO-UHFFFAOYSA-N	642.506	6.996	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)[nH]c12	409396848	BWZQLNYMNYVCDX-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397363	JAVXHIQVTBPFBK-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409398945	WUYZCMYPQFQRRL-UHFFFAOYSA-N	542.422	7.433	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3cccc([N+](=O)[O-])c3)o2)cc1	409401585	HOVBLIMKTVENCT-DLCNMLRHSA-N	688.491	7.188	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(Cl)cc1Cl	409403791	OCIFQJIQSNIPFE-RPHGGDOWSA-N	731.858	9.340	50	40	KKGB	
COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1	1818016	JTQDPRGQWQMAGC-SDNWHVSQSA-N	500.374	5.353	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc(OC)c1OC(C)=O	2593247	CABQZJJGXPWYRF-FJEPWZHXSA-N	580.066	5.081	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1	2888365	GKARXHQCKRTHNM-YMGIJWJESA-N	552.881	5.845	50	40	KKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c1	3666767	IVMSNSAGECIVQN-LQKURTRISA-N	536.417	5.870	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)c(OCc2ccc(Cl)cc2Cl)c1	8435170	XCKMMESSXWCCMF-HYARGMPZSA-N	557.485	7.122	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2C2CCCCC2)cc1	9349686	DDWZSPIHYXQGNK-VULFUBBASA-N	513.023	5.563	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	20347500	OIIIFXFYSDQZKC-SANMLTNESA-N	512.635	5.911	50	40	KKGB	
CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C(/CNC(=O)c2ccccc2F)c2ccccc2)C1	59211878	ATCWOVOMABUULK-LMQTZDNFSA-N	522.665	5.065	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccccc1C#N	59432974	RNAIJJKUTIHAMO-SSDVNMTOSA-N	516.395	6.071	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Br)cc1	59445197	MDJMSNNLGCMVDR-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
O=C(Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2)NNC(=S)Nc1ccccc1	59690503	QEBFEUMRSIGSBS-LLAJYAIDSA-N	557.166	5.233	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2	59888333	YWSYOOTZIBTXSL-MHDJOFBISA-N	572.008	5.956	50	40	KKGB	
CCOc1cc([C@@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(Br)cc1OCC#N	97959933	DUADNVSFVGJIDO-YLNUKYHNSA-N	534.458	5.616	50	40	KKGB	
COc1cc([C@H]2[C@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Br)c1OCc1ccccc1	97959968	FWRZQYFLQSUICM-MYIHVTGJSA-N	571.519	6.903	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1	97964253	VTVZBMBKOVLTTF-ZDQDAFGJSA-N	553.062	5.624	50	40	KKGB	
C/C(=N\NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)s2)cc1	97965775	QHIIILVPHKZIGX-LUOAPIJWSA-N	522.866	7.329	50	40	KKGB	
O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1OCc1ccccc1Cl	97980896	HUGVFRXUPLWLGR-UXHLAJHPSA-N	533.053	5.643	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1cccc(I)c1	100063735	ZJOARXIRIWITCV-MWAVMZGNSA-N	551.472	5.900	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)c(Br)c(Br)c1O	100165381	DWXDTJMRRDBSJW-MDWZMJQESA-N	529.192	5.020	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl	100226608	JZHONNPMXWRFCB-MTJSOVHGSA-N	529.805	7.295	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303346	UHPYTLUGYPMILA-FMFFXOCNSA-N	567.667	5.664	50	40	KKGB	
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	100451480	OQWCCGPQWZVGOJ-IQZHWODWSA-N	578.510	7.538	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)N=C2CCCC(O)=C2[C@@H]1c1ccco1	102620251	CTWMCDFRTVKPJT-SANMLTNESA-N	544.032	6.805	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	102783963	WPVUNAVNDGKWMC-SANMLTNESA-N	549.483	6.700	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl	102932929	HUAPJNKZBFTMKY-RQZCQDPDSA-N	591.245	7.187	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	103896545	BMKFGNRUJLUWRB-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
Cc1ccc(N[P@@]2(Cl)=NP(Cl)(Cl)=N[P@@](Cl)(Nc3ccc(C)cc3)=NP(Cl)(Cl)=N2)cc1	104258546	FZWAOQUWWADMCN-RNPORBBMSA-N	604.938	12.059	50	40	KKGB	
c1ccc(P(C[C@H]2C[C@@H](CP(c3ccccc3)c3ccccc3)[C@@H](CP(c3ccccc3)c3ccccc3)[C@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1	169724111	HYAJCBCVJRLTRN-BWULIGGSSA-N	862.955	11.387	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(OCc3ccccc3)c(OCC)c2)cc1	408540281	PPUGOTDUXYODAK-NHYZDEDTSA-N	536.672	7.350	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408554722	UGXKOPIDOWVVDW-BUVRLJJBSA-N	567.667	6.449	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408605081	JPDGYGVCFVBSHI-KVSWJAHQSA-N	520.800	5.632	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408642782	NVJPSTNAUAPGPR-TVFCKZIOSA-N	631.148	5.464	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2cccs2)cc1	408644110	GVTFMRUBAPNNMA-LDPLSIHXSA-N	720.823	5.639	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1	408740951	FLUNOYANWMBIPV-BKUYFWCQSA-N	517.810	7.380	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408743958	IRDXYPMLGXCFLB-ODLFYWEKSA-N	522.355	5.799	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408746877	XCURUPPTHLLDLE-YVLHZVERSA-N	623.672	6.840	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccccc1F	408747519	PBVQFLXMYODBGB-YVLHZVERSA-N	607.217	6.326	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408748086	YFMZIAUXTBITDR-ZHZULCJRSA-N	558.392	6.498	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)c1	408756272	YLMDMXUEPUWNEE-YBFXNURJSA-N	540.357	5.433	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)COc3c(Br)cc(Br)c4cccnc34)c2C)c1	408761993	IVPOTXWDZNIWCP-DBFSUHOCSA-N	570.285	6.005	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408762194	JMXKAOSEFHSZNO-GZTJUZNOSA-N	602.419	5.078	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccc(Br)cc2)cc1	408770742	BTBMWHWFWNGRGO-LGJNPRDNSA-N	555.281	5.410	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2ccc(C)c(Cl)c2)cc1	408773485	QWWFBFMBSTZSST-MUFRIFMGSA-N	522.026	5.161	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408791786	CLAVMOBJNAIFDD-CXUHLZMHSA-N	640.190	5.865	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2c(C)ccc3ccccc23)cc1C	408800979	QTHLUXHQKSUIMC-BUVRLJJBSA-N	525.446	7.652	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1c(C)ccc2ccccc12	408803694	SFFMGIKJMZNOIL-ZVHZXABRSA-N	602.472	7.503	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)cc1	408811876	BOVFDMQNHXWOTF-ONUIUJJFSA-N	509.581	6.044	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccccc1	408825522	CXFLMJATOQMGFU-ZCTHSVRISA-N	532.641	5.141	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408830853	PZJRRZDWBCILOR-OOAXWGSJSA-N	599.709	5.262	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408832412	QMEWFPQNQNCUBZ-QXUDOOCXSA-N	604.515	7.413	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OC	408841163	HZHVHAZZPITFAT-LUOAPIJWSA-N	557.392	5.768	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408841614	FQIYPYJBNURPHF-AABVJFSESA-N	667.368	8.206	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408841868	IGMRTIYSIVEBMQ-KULFSUQXSA-N	706.018	8.409	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(C)cc1	408857807	MSGBZXKPPOCOJG-MBTHVWNTSA-N	507.384	6.245	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408862738	LUHNKQACTZYPRV-FDALDRLYSA-N	643.087	6.655	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408862868	MXQSRRJYVOFXCX-XKJRVUDJSA-N	649.778	5.913	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408863786	QXAOWHCLCVSGMO-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408867471	LAZMIEDUENTPOA-NVYWJLDASA-N	649.169	5.341	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	408870853	UVNSQGPXYVELGU-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1Cc1cc(C)cc(C)c1	408877582	VWQWAWIKRSQSFI-RGVLZGJSSA-N	554.282	6.974	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1ccc(C)cc1	408883076	TUVSIEVKPSSLSC-FSJBWODESA-N	612.464	5.818	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccc(Br)cc1	408886000	CMBNHJZQLZWMRV-LDADJPATSA-N	589.227	6.187	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cc(C)cc(C)c1	408888503	WEWASXAGPXVTHB-WSDLNYQXSA-N	553.884	7.551	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904218	GPDOLRVLCNJZGH-BCHBDCPOSA-N	518.740	6.644	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)c1	408924060	NFSURXGOQQXVSR-OPKDQHEMSA-N	736.403	5.682	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1	408972022	OEUCPXALBQALNF-IZOYBOFUSA-N	563.279	5.401	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12	408974130	XMYHLEKSCAXACW-BZCOGROQSA-N	524.665	5.366	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2C)cc1	408980418	QUVRSTQKUZIBTK-PUFQGMHOSA-N	508.622	5.504	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1Cl	408981325	AIBDFQMIJZZYTD-LSCVHKIXSA-N	651.682	6.838	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br	409033391	LDMWZIPAIMRJTB-VULFUBBASA-N	507.413	6.089	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409044323	BVMPHLKVYRXBNZ-XDHOZWIPSA-N	507.949	5.749	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409065402	RVUWANYMZSCMLF-RIYZIHGNSA-N	664.681	7.197	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1cc([N+](=O)[O-])ccc1O	409145534	ONDIFLJRFCIWIM-BFHGSBLNSA-N	608.610	5.420	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409227919	XJJYOWRWGOPYBX-GZTJUZNOSA-N	570.827	5.770	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)n1	409243681	XOSTWIUBEFPEPU-VFLNYLIXSA-N	614.363	6.593	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409253515	VLDTZJGOTJZJNX-PPDIBHTLSA-N	510.190	6.167	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1	409256129	KCNRGKKDZOHORJ-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409270286	OSQBPOWCOGBTEV-AEVGBRMKSA-N	698.643	8.031	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2)cc1Cl	409271740	WLTADNAILUGDPH-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OCC	409303501	NELWJIRKPNJLQD-LJUMEUDFSA-N	589.914	7.032	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1OCC	409317466	QTZQCTRYCSLGJJ-NTFVMDSBSA-N	638.334	5.707	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409318657	WRXOGJOGCPXMNO-MNDYBZJGSA-N	545.470	5.752	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1OC	409318980	ZEWQPQDZCAULLW-QRQIAZFYSA-N	638.480	5.019	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(I)c1OCc1ccccc1Cl	409368576	CLRHLEYWCKVMCH-UVHMKAGCSA-N	577.806	5.255	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409395877	SSXRNGCHDKVPSF-UHFFFAOYSA-N	762.808	9.081	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409396125	WNVCBNMCPFVYBD-UHFFFAOYSA-N	713.741	7.864	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(OC)c3)c(-c3ccccc3)c2c1	409397422	JRSFDPJWXLUDMG-UHFFFAOYSA-N	533.584	6.225	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397917	PLMMEKZUYMVPJV-UHFFFAOYSA-N	552.030	7.179	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccco1	409398142	RDMIZBWAUCKVNX-UHFFFAOYSA-N	518.356	6.718	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409400752	QOYATURJFKSSJH-ADJDCTSUSA-N	652.962	8.578	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCC(=O)Nc5ccccc5F)cc4)c3C)o2)cc1	409402927	LIXLBHOKCNLSRP-YTJQMYRNSA-N	673.745	7.594	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(F)cc1	409404358	PYXVETGLDKUZIB-WBIBEUCMSA-N	597.643	6.765	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O	409406432	WTIYLVVFBLFRIX-KUVSIYKGSA-N	590.589	5.189	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cccc(Oc2ccccc2)c1	1773785	CVNPTVFVOLKICF-VULFUBBASA-N	527.096	6.519	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)n2-c2ccc(Cl)cc2)cc1	1819942	QNOYYGJBPMTHFO-XODNFHPESA-N	530.868	6.445	50	40	KKGB	
C=C(C)C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C#CC(C)(C)OOC(C)(C)CC)OC(=O)C(=C)C	2153704	XSWFWWRZCMSVDA-ZCNNQAHUSA-N	576.774	7.801	50	40	KKGB	biogenic
Cc1ccc(O)c(C(=O)[C@H](Br)[C@@H](Br)c2cc(Br)cc3c2OCOC3)c1	2300476	RICORXCBDXQHPC-JKSUJKDBSA-N	535.026	5.412	50	40	KKGB	
N#C/C(=C\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	2308257	ZRDNNQOYMXKIQR-FMIVXFBMSA-N	508.308	7.219	50	40	KKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)c1	2309668	LPPRIADKDWYVIE-HKBQPEDESA-N	549.696	6.683	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1Br	2331761	SRDDFMRAANTYSO-VULFUBBASA-N	526.847	5.593	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1)c1ccccc1	2333481	FWILYGKVGNFJRT-TWKHWXDSSA-N	521.455	6.719	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(Cl)c3)NC3=C2C(=O)CCC3)ccc1O	13189330	KKOBUURFYYLXSH-XMMPIXPASA-N	510.015	5.164	50	40	KKGB	
CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	16700672	RVSKVDAEOUZOSB-YYADALCUSA-N	504.634	7.353	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(C)(=O)=O	20212751	IQWXVVBBDCOVFE-OPEKNORGSA-N	514.818	5.132	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1	58914987	VQHOLUSAMWLCAV-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\C=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1	97939497	RLCNGZAVISYBBC-RCZUZLKTSA-N	554.676	6.356	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	97960971	JWNHYNVWXJIQMF-KYMQWJLESA-N	582.665	7.507	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc(I)cc(I)c2O)cc1	97965555	OBYLOEMFEQWMCJ-FVPSJGGKSA-N	742.783	6.022	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100130143	HKMKXZBJHINZDP-MZFJOGFUSA-N	583.541	5.785	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100991284	PYJOODPQRLDIHC-NLTRVXJZSA-N	532.463	6.131	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Br)cc3)nnc2-c2ccc(Cl)cc2)cc1	101508919	BIXPFXLVHOWZBR-STBIYBPSSA-N	584.927	6.381	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(C)cc3)n2-c2ccccc2)c(OC)c1	103254268	PJALDTLYUXNAJS-KCUTWZHFSA-N	544.681	5.226	50	40	KKGB	
CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528116	QMWUZDZPKSTOQW-SECBINFHSA-N	522.180	7.644	50	40	KKGB	
O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1	103604273	GFJVJSHWBFFEOY-DGPALRBDSA-N	594.675	5.746	50	40	KKGB	
C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(\c1ccccc1)c1ccc(Cl)cc1	104202005	KVGYLDXZIDJRSR-RWOTVUIHSA-N	532.047	7.547	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CSc5ccc(Cl)cc5)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709487	WCRRYRSQKJXWTC-WPWDATSKSA-N	624.206	8.630	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1C	105115621	NWERCYXIKPHROF-YBFXNURJSA-N	530.249	7.497	50	40	KKGB	
O=C(N[C@H](Cc1ccc(N[P@@](=O)(Oc2ccccc2)N(CCCl)CCCl)cc1)C(=O)OCc1ccccc1)OCc1ccccc1	150488524	GZYPHXQVUHOCPK-HEHRUNODSA-N	684.557	7.646	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCCCCCCCCCCCC[C@H](I)CC(F)(F)F	169795455	GCTFDAHDTCMDAA-ROUUACIJSA-N	642.288	9.960	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1	408537222	DEPFILMBENCCMS-MTDXEUNCSA-N	611.536	8.168	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2OC)ccc1OCc1ccccc1	408540212	OQLPGQNAIUDKRH-HQDYHJHZSA-N	623.931	7.432	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1	408552511	JDGGEGMCLWRXHZ-BCHBDCPOSA-N	555.643	6.191	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408568502	JXCXNTVFWQMAJT-FJEPWZHXSA-N	630.586	5.791	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccc(F)cc1	408570485	VTTGBXJYQBYXBB-IPPBACCNSA-N	591.524	6.184	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Br)cc1	408711840	NEWZEBNKGDTABR-RPPGKUMJSA-N	644.101	6.168	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1	408712047	XFOKKEMNIIWHOV-QRQIAZFYSA-N	558.416	5.360	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408725561	LYMKZXQUAQYYIQ-MFOYZWKCSA-N	562.247	6.898	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccc(Br)cc4)cc3)cc2-c2ccc(-c3ccccc3)cc2)cc1	408727370	WCXBPJKBLZDARS-HZQMBONKSA-N	641.569	8.620	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccccc1F	408750182	LFKSDADYWYUKAT-KCSSXMTESA-N	518.972	5.453	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1	408771621	HRPYESGXZDFBLG-OVVQPSECSA-N	504.439	5.346	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)c1	408781694	FHDQCMFZGZHTLG-NDENLUEZSA-N	525.830	7.014	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1cccc2ccccc12	408789812	LXPBICZFKJUZGU-MTDXEUNCSA-N	619.515	8.315	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccccc1Cl	408791267	VKGVTELEQHQSIV-VIZOYTHASA-N	709.536	7.981	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c2ccc(C)c(Cl)c2)cc1	408827263	GLTDBIIOYDWZOQ-HNSNBQBZSA-N	611.164	5.130	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1	408838199	CSVJYKRWPJLBJQ-DQZXCFIPSA-N	624.118	7.588	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1O	408839102	MXYVNDQIQGVGAW-UVHMKAGCSA-N	584.439	5.945	50	40	KKGB	
O=C(N/N=C/c1ccc(I)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839771	WHJUQDZGILUWLK-LGJNPRDNSA-N	558.832	6.576	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408842132	MGJYPXMKQHETBE-FDAWAROLSA-N	653.511	5.291	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408843504	NKLIFTPUMWUXIK-XJECJHNESA-N	617.558	8.520	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1	408843721	MVDQRSWONBNMOM-KVAAJVFYSA-N	631.983	8.621	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	408850713	CVDXBTADFSAAJT-IDWIKUEFSA-N	543.070	7.873	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)cc(Br)c1OCc1cccc2ccccc12	408872610	HGVJUKVSAVCUHN-FDVSRXAVSA-N	504.384	5.739	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)cc1	408883834	REKMUPVTATXTMH-PPOKSSTKSA-N	563.679	6.073	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1	408888165	XKSSXOVGCIJSSE-CIAFOILYSA-N	543.963	6.543	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OCc1ccc(Br)cc1	408889571	FJQFXPFDSVHWDY-WOJGMQOQSA-N	635.150	7.416	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OCc1ccccc1C	408922655	GFIDJTBXRCQDFM-UXHLAJHPSA-N	579.438	6.132	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OCc1ccccc1C	408923509	JAEBLSONUXMQNM-UDWIEESQSA-N	582.394	5.821	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1	408945704	LDSHBCVQUUYZAC-MHZLTWQESA-N	810.452	5.360	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)c(F)c1	408964185	BPOICNPXSWMMJE-KKMKTNMSSA-N	531.179	5.565	50	40	KKGB	
COc1cc(Br)c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969597	QMRPTPCUUBWKTF-SEVZJSAHSA-N	623.331	5.418	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c2ccccc2)cc1	408977448	DLLXCKJKFJIEEA-HGFFDCOOSA-N	566.477	5.578	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)cc1	408987008	OAODPHRJQYPSHN-UYRXBGFRSA-N	528.777	6.378	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccccc1	408996866	KFRVPKQRNVMDHI-KBVAKVRCSA-N	621.285	6.447	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	409006900	SDGKHWOAIMHXHR-MUZUFBTBSA-N	625.590	5.223	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccccc1Cl	409031033	GBHUSGOXPIEJLM-XZYGTATASA-N	614.927	8.059	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)c1cc(-c2ccccc2)nc2ccccc12	409039370	GLBZTWMQDPLZOB-KVAAJVFYSA-N	633.315	7.909	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409041701	JGWXJJAQSARREF-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2OCC)cc1	409046588	KSNHELNLBXUMNS-FDALDRLYSA-N	652.545	7.583	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409048117	RPRGCBQSFUPDME-XDHOZWIPSA-N	599.400	5.701	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409048586	SKBYNWRCDXPJPJ-WOJGMQOQSA-N	536.382	5.035	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCc1cccc2ccccc12	409068707	SPTPIIQVAHEBBM-NLRVBDNBSA-N	506.577	7.231	50	40	KKGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cc2cc(Br)cc(Br)c2o1	409095484	CTSKYHSBANRYTG-CGOBSMCZSA-N	561.968	5.098	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl	409158940	YOHVEJPAGFGBBV-VFLNYLIXSA-N	563.825	5.152	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)cc2c1	409185385	YDQJYKUCSGTQRR-CPDSRJINSA-N	584.398	5.523	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc(C(=O)O)cc3)cc2c1	409186828	IIUFBKFMJKZVCZ-MUXKCCDJSA-N	537.366	5.635	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1	409221644	UDSODOLYVBGXEX-CCVNUDIWSA-N	535.467	5.831	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(Cl)cc5)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1	409222490	DFMLKUXZIJHRDV-SYKHQLQBSA-N	605.050	5.452	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1cccc(C)c1C	409269580	KKPOCBMZWDKAJL-UDWIEESQSA-N	523.511	5.894	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccccc1C	409271600	VIEROKNVPPNELY-ODLFYWEKSA-N	615.855	6.215	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)cc1	409272936	UKSPYIPSBKHVDH-MOSHPQCFSA-N	534.410	5.638	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)ccc1OCc1ccccc1	409314540	RVJMTSMXRIZIRP-RHANQZHGSA-N	542.504	5.647	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC	409315374	JBLDXAPDGGYHEY-WGARJPEWSA-N	528.905	5.510	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(I)c1OCc1cccc2ccccc12	409358175	KLCWCWZPZPSFNA-KPGMTVGESA-N	597.428	6.123	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br)Nc1ccccc1F	409370811	UJKWEPVYCPLUSS-QNVXDBMFSA-N	678.971	7.890	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409378656	RCCRSDRSOHRQFY-WQRHYEAKSA-N	595.406	5.328	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c(O)c1	409393217	VTVPRDKDZPCZIY-KBKYJPHKSA-N	662.649	5.606	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)cc1	409395332	MJAKUWZXOXSPCU-UHFFFAOYSA-N	750.658	9.312	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396633	ZTJKHWGDHOKLNK-UHFFFAOYSA-N	581.072	6.936	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396966	DKLNUZOBASOHIR-UHFFFAOYSA-N	617.580	6.863	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409398898	WGSHSWHPUCVRNI-UHFFFAOYSA-N	552.428	6.889	50	40	KKGB	
CC[C@H](C)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401835	IIGKWXZPOWOUHQ-KWMKVIAQSA-N	564.480	6.970	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCc1cccc(Cl)c1	1529548822	OHHWIRHKWUWVSF-CKRMDNAKSA-N	749.027	5.417	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)ccc1OCc1ccc(C)cc1	1469397	VAFXYKOLQYTLQG-CCVNUDIWSA-N	535.398	5.205	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl	2232052	ZUHZWPBFDUSAED-KKMKTNMSSA-N	517.825	5.588	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1Cl	2373268	KMORUQHOFFOHIP-DBTLDAOKSA-N	502.039	6.330	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c1	9109833	SKJWOWBZDGIZMX-DEOSSOPVSA-N	508.043	5.786	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3)nnc2-c2ccccc2)cc1	9762473	KYPXOQJOQQNZNR-VEILYXNESA-N	506.031	5.619	50	40	KKGB	
COc1ccc(/C=C2\C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)/C(C#N)=C(\C)N)cc1	25424246	WILCZCMGHLBOOA-MFYMUPIFSA-N	523.633	5.875	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	59101497	ZEZLAHZXMBLJRP-LUOAPIJWSA-N	511.192	5.968	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)cc2)CC1	59647052	WVGXBZWLKKUGIM-KEIPNQJHSA-N	556.110	5.842	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1	97960469	CMHXSAGMYIJMPN-IHQYTQDJSA-N	530.005	5.542	50	40	KKGB	
COc1cc2cc(/C=N/NC(=O)COc3ccc(-c4cc(-c5ccccc5)c5cc(Br)ccc5n4)cc3)c(Cl)nc2cc1OC	97966584	UDEAJNVXVCKIFG-OEPDXVHDSA-N	681.974	8.079	50	40	KKGB	
COc1ccc([C@]2(C(F)(F)F)N=C(O)N(c3ccccc3)/C(=C(\C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)S2)cc1	97984759	UPJJNLNVJBPGLE-GBGSTXPFSA-N	633.656	5.887	50	40	KKGB	
O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)N/N=C/c1cccc2ccccc12	98043776	RCTDKHBLPSHOMP-KBVAKVRCSA-N	618.504	5.880	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100118401	LQXTXWMPULHTDP-GOJREDGKSA-N	590.749	6.870	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100123717	PISWUQIJQASVAQ-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccccc2F)cc1	100138918	OLTLHZIEHNMSQZ-ZCTHSVRISA-N	531.609	5.059	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100239685	USRDOJVXSCFADB-MWAVMZGNSA-N	542.101	5.794	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@@H]3C)NC3=C2C(=O)CC(C)(C)C3)cc1	101081380	ISDNDQHJZWKZGI-XRHLQHRESA-N	513.663	5.471	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)OCC)=C(c3ccccc3)N2)cc1	101305340	LNNHPKRYQUGJTR-MHZLTWQESA-N	541.673	6.390	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)NCCCn1ccnc1	102687018	JRDDVVOHUPZJQE-NLRVBDNBSA-N	563.061	6.082	50	40	KKGB	
CCCCc1ccc(C(=O)[C@H](Br)CC[C@@H](Br)C(=O)c2ccc(CCCC)cc2)cc1	103166816	LEYPJICSKLOKFJ-DNQXCXABSA-N	536.348	7.745	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	103883179	OEDKNQFJMLCNDC-UQQQWYQISA-N	542.466	6.981	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(F)cc2)N=C2CCCC(O)=C2[C@@H]1c1cccc(Cl)c1Cl	104102121	AJUAJVGIXNFBCU-OAQYLSRUSA-N	502.398	6.774	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)cc(I)c2O)c(C(=O)OCC)c1C	107850029	NERAJRJRZLHWTN-AWNIVKPZSA-N	587.819	5.092	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341799	VXYQBPGOESBNQK-SFHVURJKSA-N	848.451	13.696	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Cl)[C@H](Cl)c2cccc([C@@H](Cl)[C@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	226333594	QGMPHGMLCHYYHU-YSFYHYPLSA-N	604.186	7.839	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408537830	HLAIRJDACSFJKS-CEUNXORHSA-N	606.675	6.974	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c(C(=O)OCC)c1C	408546937	PCFWGXDFAFYAGZ-SFQUDFHCSA-N	556.434	6.151	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccccc2F)c(Br)c1	408567599	FUMRMWTUJCXOFH-CCVNUDIWSA-N	561.498	6.175	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408569637	OYFPADOSHDXITJ-VULFUBBASA-N	570.605	5.312	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	408581627	XZWQKAQZDCCEAS-XDHOZWIPSA-N	511.803	6.583	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	408582286	MTRDZQSAFQRIAV-CIAFOILYSA-N	506.986	6.146	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	408583489	UYQGWMWZXCFTCV-VXLYETTFSA-N	561.803	6.614	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408724928	FBKACMIOQNSWET-JAIQZWGSSA-N	621.302	7.684	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1ccccc1	408726607	OSDKAKOXLQYWQG-LGJNPRDNSA-N	548.231	5.659	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccccc1	408740966	FUUCDKHCLBVTBQ-YVLHZVERSA-N	512.747	6.135	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)c1	408742118	PMBHHVVTBVLAMR-SXGWCWSVSA-N	630.351	5.853	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408750435	MYKFCXFEWKWIFA-KCSSXMTESA-N	544.991	5.012	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1	408752211	GPLJIEQEBLVCHL-ODLFYWEKSA-N	526.228	6.645	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc2ccccc12	408752490	AWTPHBHIVJSIAK-PXLXIMEGSA-N	517.412	7.670	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	408763438	DXOQAEWSAJWIPF-PDGQHHTCSA-N	531.417	6.014	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Br)cc1Br	408782164	IEBXXEUVQFMWRE-JAIQZWGSSA-N	570.281	6.962	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)c1ccc(C(F)(F)F)cc1	408782442	IMOSPPHNSMLSAY-XGICHPGQSA-N	599.084	5.442	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408787910	HLUGZKRMMZTJCW-DJKKODMXSA-N	607.275	7.348	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408796003	NXWKPBSGCSLLAH-VIZOYTHASA-N	526.634	8.078	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1I	408797371	RLALSRFSLDCDSR-RIYZIHGNSA-N	511.157	5.307	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)cc2)cc1	408823663	OHYKICQZHIEOBT-NLRVBDNBSA-N	509.005	7.352	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1cccc(C)c1	408832968	RBJWHTGMEYRTMB-MFKUBSTISA-N	617.927	8.123	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)c1cc2ccccc2o1	408848655	RQKFIHPTBQVRIN-MNDYBZJGSA-N	625.260	7.296	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cc2ccccc2o1	408849121	VJBZSXNSTYSBIW-PPDIBHTLSA-N	640.190	6.124	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C	408850075	FGUMHKMRSBMBCK-XHPQRKPJSA-N	562.739	7.703	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408851073	HHDXBHPVFRCWES-MNBJERMJSA-N	548.868	7.197	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc2ccccc2c1	408851466	KFKLOBKJFSNJFW-OHUYPAJKSA-N	569.455	7.429	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1OC	408857144	JTRJKFJYEGVCTQ-JEPNHJGPSA-N	683.024	7.144	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408857875	XBWDOADMLLRNRX-DBSPGSINSA-N	608.094	7.546	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1)NCc1ccccc1	408863811	QGEZONHNVNDIOW-XPGZBYHPSA-N	574.725	5.600	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1Cc1ccccc1F	408875846	LKBRFGYRDKXGRK-RQZCQDPDSA-N	510.319	5.641	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1OS(=O)(=O)c1ccccc1	408886920	JWYFDCSQPSAQCJ-UZWMFBFFSA-N	566.720	5.846	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408893077	FHMFNSKJLRTAFG-LZYBPNLTSA-N	715.669	6.591	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1	408899972	RZCYVHKYCCUGKP-DEDYPNTBSA-N	510.999	5.533	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OCc1ccccc1Cl	408904519	KUDOMQUVDUTOGI-FDVSRXAVSA-N	542.861	6.883	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1cccc(C)c1	408926618	XFJHKJHZVDOHTL-YBFXNURJSA-N	560.275	7.588	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408952508	OAICOKWEMCIBEH-BKUYFWCQSA-N	534.841	6.429	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc2ccccc2c1	408964800	SIAFHOGISGTIFT-MHDJOFBISA-N	618.393	7.205	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	408969298	LCGLZKHKBVKBEA-WKULSOCRSA-N	529.025	5.140	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)cc1Cl	408983069	KBODLNNMUDPZID-IWIPYMOSSA-N	514.000	7.320	50	40	KKGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1	408997018	KZMVIQRPVHVGBA-RWPZCVJISA-N	577.347	5.186	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	409002973	QLEXGJKKBYFHCO-FPQJKWOGSA-N	542.039	5.632	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc(Br)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409017702	VQPZUMIYBRDFLW-CLHYIUPASA-N	660.609	6.862	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1	409026939	IRZLTDLJFFDOJN-VGSHQSRASA-N	565.095	5.845	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409029309	YVJUSQSUKZSBPK-HNSNBQBZSA-N	669.598	5.618	50	40	KKGB	
CCOC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c3ccccc32)cc1	409032693	MMEXEGRJTOZHPL-QLQYKETESA-N	552.634	6.845	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409067183	PNFYUVKQHYMHDT-KOEQRZSOSA-N	530.646	6.052	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1	409092602	XGMOXWSPPAHMNX-BOPFTXTBSA-N	511.412	5.738	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409127387	PSIUHQOIJONCSB-FMFFXOCNSA-N	686.959	5.933	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409137974	XPTNJBIDHYOPTJ-QNKGDIEWSA-N	575.090	5.880	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409148317	YGGUIVRWXNKPQD-JOCHJYFZSA-N	563.279	6.073	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)CC)cc2)cc1OCC	409222505	DKBRCZFKICGYJY-LQNQUEJISA-N	538.000	5.469	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409223962	GUOKFYGFWNOXDI-YPXUMCKCSA-N	584.323	5.993	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1	409224194	JYQADODOXZBKFC-XQCBVTLMSA-N	583.000	6.192	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)NCCCc1ccccc1	409237238	ITHZNMUIZYZSOF-JCMHNJIXSA-N	556.831	6.180	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1	409241850	YZKTUEFGYRPHIM-PKIWBCANSA-N	581.410	5.102	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)c1	409257123	QSYBXHWQAISRAY-NVJOKUIPSA-N	609.702	5.963	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409266355	QXINUGQXZGQIOZ-YDZHTSKRSA-N	623.491	6.487	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409311492	GJUICNHSHHRDNV-UHBFCERESA-N	573.871	6.418	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1OC	409312301	KRBUPWZHDOBSTC-FTCYSYDXSA-N	661.225	7.102	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccc(Br)cc1	409323907	QBMAYOOBPRNSOG-GXBUFBABSA-N	603.513	7.168	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)ccc1OCc1ccccc1	409324933	WPUKDZGOAWJRKH-BJUCDSOZSA-N	703.225	7.905	50	40	KKGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)=C2C#N)cc1Cl	409325563	ZCUZFZKAVFMHJB-CYBMUJFWSA-N	530.355	5.731	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)N1CCCC1	409367783	GHLWKWWEDQLPCK-CXUHLZMHSA-N	508.185	5.459	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(I)cc1	409371301	GOLNHWCXPNBBIA-UCQKPKSFSA-N	566.395	6.970	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1cccc([N+](=O)[O-])c1	409384330	BFTKBHSYLLGBIM-VULFUBBASA-N	520.523	5.459	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)[nH]c2c1	409390173	BVKIFLXFQMREFU-HAHDFKILSA-N	509.009	7.276	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(Br)c3)[nH]c2c1	409392199	NWODFRGRIUCKNR-PXNMLYILSA-N	573.672	7.393	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(Cl)ccc3OC)[nH]c12	409394677	DMMZRYHVCGKYDJ-UHFFFAOYSA-N	744.267	9.221	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl	409394903	HFBPTFHPRATIPV-UHFFFAOYSA-N	750.658	9.312	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)cc1	409395118	KCLSIXKARWHJJT-UHFFFAOYSA-N	744.665	9.067	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(OC)cccc2c1-c1ccccc1Cl	409395784	RRWUQYSXPIUNOG-UHFFFAOYSA-N	667.343	7.905	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409396268	XKAMZRPCQADDSH-UHFFFAOYSA-N	739.804	8.124	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396281	JKTSUODWBZIUOV-UHFFFAOYSA-N	636.919	8.186	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(F)cc1	409402084	IZYWFXMFGGTNKF-UHFFFAOYSA-N	567.617	6.757	50	40	KKGB	
C=CCOc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409403808	OCYJCWPBECTCPT-LQNQUEJISA-N	544.564	5.512	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)Nc1ccccc1F	409404240	PMXMQNMOBILFSV-AEVGBRMKSA-N	689.538	6.958	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	1529548734	MYCBRAFUTCEMJB-CKMXFPERSA-N	696.440	6.764	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2cccc3ccccc23)c2ccccc12	1529548959	QVQFVRTYMDHTBI-QDEQFUQDSA-N	645.785	6.036	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1cccc(Cl)c1	1529548964	QZEVJKFNFBHZNJ-AYSITGFNSA-N	797.897	6.171	50	40	KKGB	
Cc1ccc(-c2csc(N(NC(=O)Nc3ccc(Cl)cc3)C(=O)Nc3ccc(Cl)cc3)n2)cc1	1415238	MRJDUQXQXKQFBO-UHFFFAOYSA-N	512.422	7.201	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)nnc1-c1ccc(Cl)cc1	1903279	TVPOZNVOPGHXNM-LQKURTRISA-N	506.031	5.440	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(C)c3)nc3sc4c(c3c2=O)CCCC4)cc1	2232449	LJXXDHGYRKFJSG-RWPZCVJISA-N	502.665	5.185	50	40	KKGB	
CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1Cl)N2	4048166	KCDKIKPDHLMOAY-QIEDNPPQSA-N	577.917	8.117	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	59336484	CZJXZAYTKXSYDN-ZHZULCJRSA-N	508.361	6.755	50	40	KKGB	
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[C@H]2CCC[C@H]2P(c2cccc3ccccc23)c2cccc3ccccc23)c1	60291219	BVCVBGLXUGAVAF-MFDVBWRESA-N	622.773	10.350	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Br)cc1)c1ccc(Br)cc1	72231295	DTKPRVRQRZPSMR-ZMOGYAJESA-N	501.178	5.228	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	97954459	RWJQHTRGNINJPK-HKBQPEDESA-N	544.680	6.855	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1	97960748	CNAHMCNKSQUEQP-LPYMAVHISA-N	533.369	5.850	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc3ccccc23)cc1	97962908	SKHMMDPXVDRKHC-JVWAILMASA-N	523.408	5.442	50	40	KKGB	
C/C(=N\NC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1	97972263	PTSDBOYJYXSMIK-WTFVSFMFSA-N	599.534	6.599	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1	100118336	SYPFMNSZZFCGBJ-SEBMTOOBSA-N	625.194	7.524	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	100178371	APLRZSGTSULKND-WEIIPEJZSA-N	560.053	5.626	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1	100860772	JKUSIKXGHYEEBT-AEPTXUNZSA-N	528.848	6.712	50	40	KKGB	
CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4s3)c3cc(Br)ccc32)C1	101385837	DKWPGJMSMAYPOR-QKPZSYOFSA-N	612.619	5.876	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	102932869	YVMSQIRRGFKILL-NDENLUEZSA-N	562.807	7.289	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1	103755333	JJMQCWQUURWAIK-XKZIYDEJSA-N	552.412	6.431	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	103896015	JCJLEDWCGGEXGK-YNCTYVJUSA-N	547.902	6.462	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC	103899718	KBUWDYLPDPCMFZ-MUFRIFMGSA-N	606.926	5.330	50	40	KKGB	
C/C(NNC(=O)C(c1ccccc1)c1ccccc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	103920668	UITDXYKXCNUQDV-MEFGMAGPSA-N	543.652	5.774	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)c1ccccc1Br	104402253	FIVQFHVBVFCOJY-IPPBACCNSA-N	528.233	7.252	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	104849081	HDLWJZXJHHVLRA-GZTJUZNOSA-N	567.505	6.582	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1	104952530	WPOFQFPMTLRERM-CXUHLZMHSA-N	520.185	7.020	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	105475572	RPZFCFALGXZYHG-RPPGKUMJSA-N	532.778	5.671	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cc(Cl)ccc2OC)cc1OC	150474319	SYQMNQVDAPAIJA-AABVJFSESA-N	680.010	6.426	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCC(Br)(Br)C(Br)Br)c1nc2ccccc2[nH]1	150645462	ORPBBAHCUXEBDS-WZUFQYTHSA-N	870.741	7.817	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccccc1Br	164576577	QNMCRXCCTKUMAM-BRJLIKDPSA-N	661.075	6.001	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795345	KAACBMIFXMZYAB-AOOOYVTPSA-N	930.128	11.921	50	40	KKGB	
CCC(Cc1ccccc1)=NNC(=O)[C@H](C)Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1	252428018	NUXJEHLFAMMHMY-FQEVSTJZSA-N	624.552	6.090	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2OCC)ccc1OCc1ccccc1	408538381	LYFVNDVIHPDURQ-TYCBJDMUSA-N	767.735	10.580	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc(C(=O)O)cc1	408542121	HFQOYSSOTREQCU-NVMNQCDNSA-N	641.630	6.891	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408543273	OQASDGLPAGOTCS-UUYOSTAYSA-N	551.426	6.943	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408606767	AWIIIKLUHACECN-IPPBACCNSA-N	534.827	6.103	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1	408610272	NDPOODSQRJUDNR-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
O=C(NNc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408610962	VGFRCRWGLUNJNT-INIZCTEOSA-N	549.252	5.831	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408676146	AEINXGAGKBOMPE-YVSFHVDLSA-N	634.108	5.381	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408718806	KWBVPGOKSPTIQO-ZKGMVZMJSA-N	554.312	7.010	50	40	KKGB	
COc1c(I)cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1I	408736820	IPKDABDKSUVZDW-LJXVVYAUSA-N	722.321	5.374	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)NCc1ccccc1	408740109	IGBGLOBLSOAWQX-RGVLZGJSSA-N	526.228	6.014	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1	408743071	DJXSLHQCVNLELZ-LICLKQGHSA-N	623.672	6.840	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408744562	MBQYUABXZFUOJZ-WQRHYEAKSA-N	546.248	7.279	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccccc1C#N	408745582	SVLHKPFGTJTXKP-NHDPSOOVSA-N	502.368	5.762	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2)cc(C(C)(C)C)c1O	408764094	LFDPMCRUSFJAQG-FADJLKOXSA-N	586.754	6.991	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc2ccccc2c1	408765136	ZQBUJJRHCJCLSZ-CVKSISIWSA-N	554.378	5.042	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(I)c1	408772069	KCLLHZAAWNGPKR-VFCFBJKWSA-N	589.499	5.459	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)c1cccc(Cl)c1	408772414	LLWWNHGUVLZGES-QCDXTXTGSA-N	565.532	5.077	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408787817	GQZJHGGOEWQRJU-VIZOYTHASA-N	709.536	7.981	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1cccc2ccccc12	408795439	LERAQDXPOUQARJ-WSDLNYQXSA-N	608.863	7.540	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccccc1F	408809043	HCDYQWJGEJXRIM-SXGWCWSVSA-N	669.188	6.068	50	40	KKGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408824201	GHNZBXPPUDVNOS-LCYFTJDESA-N	555.237	5.373	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408826320	LEXYUKWKBBOYJD-BUVRLJJBSA-N	618.473	8.004	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408838417	VVELGXHAEMFWSH-MWBNBJEGSA-N	651.107	5.404	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1	408851007	UHYMVPOWKUJCRQ-IPHFVPNQSA-N	553.622	7.128	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408862244	XSYDFUIJWVBPHV-XKJRVUDJSA-N	633.323	5.399	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408864411	ZXXSNSFNZCDUFN-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3cccc(F)c3)c(OCC)c2)cc1	408867792	LTNPTQCFSDCVAW-CIAFOILYSA-N	506.961	6.191	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408868410	MJZYMSDDOKCYDO-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1[N+](=O)[O-]	408881865	OVDGCTNIZWLXHM-NTUHNPAUSA-N	509.154	5.373	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(Br)c2)cc1	408885873	GGFFAHVCNKSWSM-HYARGMPZSA-N	505.412	6.589	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408888428	ZUXFIYKKJAERCP-FRKPEAEDSA-N	625.690	7.841	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC	408889741	GQDMBUQRHUTETA-NTUHNPAUSA-N	529.161	5.717	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408893286	DOSBBIVQTAJOJK-LZYBPNLTSA-N	547.192	6.789	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(=O)c1ccc(OC)cc1	408901046	ZNBZLHVFULJBPL-DEDYPNTBSA-N	501.495	5.075	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1Br	408905287	WQLHLWWJTZVGQW-ZRGSRPPYSA-N	507.215	6.799	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408948254	FEBWFACKEZICJO-NHDPSOOVSA-N	717.301	5.920	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408949116	QMCMYPGAXQTWDC-MUUNZHRXSA-N	661.995	6.111	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc(Br)cc1	408950037	GHLBFZLZSMPLLG-LIFJFEPXSA-N	611.318	6.308	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1	408990663	LIFBTLURUKLTBP-MMOHFDRGSA-N	552.678	5.601	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409005056	YYJFWOSRCUMLFG-GJIJCKQHSA-N	699.400	5.900	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	409016722	RNHHOBHUHQPBEQ-CLGCNZCDSA-N	575.449	5.919	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409048669	UGVNHYXXVKBXCQ-YBFXNURJSA-N	569.355	5.598	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409068918	UPFZUSQJNYCNQA-FYJGNVAPSA-N	523.416	6.864	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1	409111675	BKZZTOJKCLBBDD-QXUDOOCXSA-N	621.687	5.166	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409132274	XCLFJOKLCMRXRB-RUZDIDTESA-N	658.493	5.170	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)cc2c1	409186439	CAAZIYOSZAEIQE-QDTIIGTASA-N	664.250	6.450	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)c2)ccc1OC(C)=O	409218112	HHUJDEASJKIIKM-UHFFFAOYSA-N	630.451	5.618	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccco2)cc1	409223469	HVMSMZOOAOZVFK-MBTHVWNTSA-N	532.896	5.077	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccccc1	409243848	VGAACNRAJJRSLK-VBNMEBLOSA-N	679.252	6.167	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	409255688	ZKDRMIMQWSWJRU-UQEONJGVSA-N	588.445	6.816	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)ccc4OCC(=O)Nc4ccc(Cl)cc4)cc3)cs2)cc1	409261740	DDRLOLOKRKHOAU-QMRORBIVSA-N	675.008	8.059	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(Cl)c2)c(C)c1	409268772	AFQCOKJMFFXKOR-RGVLZGJSSA-N	508.405	6.482	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409312332	KNSXTWYGIVZUPD-DLCNMLRHSA-N	699.929	6.322	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)ccc1OC	409316888	MXNILXSOLVWATR-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1OCc1ccccc1	409318213	UIHUBYMVWZTDKL-MJXLXAJKSA-N	644.349	7.695	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)ccc1OCc1ccccc1	409324243	RQWKDQBRJKCUCO-OHUYPAJKSA-N	532.999	6.800	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Cl)cc1	409368553	BOSXLCPHTOLAIG-PPDIBHTLSA-N	589.726	5.751	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	409380894	PVNYALZIDJAQPI-GZTJUZNOSA-N	526.376	5.574	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1Cl)c1ccccc1Cl	409394473	AVUMMDLOXHELKA-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409394482	AYIHEYKKZCBFCW-UHFFFAOYSA-N	635.833	7.281	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)c1	409395334	MJGABAHJJAFRQR-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cc(Cl)ccc4OC)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409396322	LGTDMIGQTUESOY-UHFFFAOYSA-N	646.527	7.931	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397564	LGGGDSCRTLLIMX-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
COC(=O)[C@H](C)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409402665	KLVWLBLETFBGHN-JXIJSNESSA-N	608.695	6.378	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1Oc1ccc([N+](=O)[O-])cn1	409403764	NUTNGUILPZQNPE-UHFFFAOYSA-N	660.481	6.897	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc([N+](=O)[O-])cc3)o2)cc1	409405338	SWEJNZAPVOBBQW-DLCNMLRHSA-N	644.040	7.079	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c([N+](=O)[O-])c3)o2)cc1	409407342	ZLBSIMKQFVBBJL-QMRORBIVSA-N	643.052	6.869	50	40	KKGB	
Cc1cc(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccccc1Br	650791	DLBDLBHVWLPIGV-HFZDXXHNSA-N	513.439	6.239	50	40	KKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1	3089715	QOBKYPHYKAEBJF-DNXOAJKNSA-N	530.628	6.344	50	40	KKGB	
O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	3142007	WRPDUIPEJRXPCQ-NSKAYECMSA-N	567.725	5.212	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	3201101	MCWZMUXZCQIPNH-UXHLAJHPSA-N	514.006	6.211	50	40	KKGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)n1	8770026	DGJQFWDLAQYKDF-VFLNYLIXSA-N	536.495	5.840	50	40	KKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)c1C	12644512	LEPKGVNRNSJXKI-MFISQUFLSA-N	524.621	5.352	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)cc(Cl)c1OCCCOc1ccccc1	15945536	QWXANYQENZEUFX-XMHGGMMESA-N	520.010	6.352	50	40	KKGB	
CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)OCc2ccccc2)=C(C)N1	20170644	NURHXCXHEIIGTI-RUZDIDTESA-N	510.059	5.381	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OCC#N)ccc3ccccc23)c(C(=O)OCC)c1C	33744386	QBEJYFHESXGTFE-XMHGGMMESA-N	516.575	5.184	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1Br	36040334	IYRFTBFWIPQFBG-WQBZTOPYSA-N	508.254	5.772	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	59485084	AOEBOLQBFHGMSO-ZDLGFXPLSA-N	510.300	5.917	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCc1ccccc1Cl	59485170	JKZGBYVITJZHPX-NDENLUEZSA-N	515.778	6.986	50	40	KKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](Br)[C@H](Br)c2ccccc2)cc1[C@H](Br)[C@H](Br)c1ccccc1	95100218	NTLCIZNKMMIJMN-YSFYHYPLSA-N	691.996	8.647	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cc([N+](=O)[O-])ccc3Cl)n2-c2ccc(C)cc2)cc1	97939476	JJMCIGRPUPAHGG-VYYCAZPPSA-N	537.001	5.055	50	40	KKGB	
COc1ccc(CCCc2nnc(SCC(=O)N/N=C/c3ccc(OCc4cccc5ccccc45)c(OC)c3)o2)cc1	97962655	JMTGATOVHANXPY-QXUDOOCXSA-N	596.709	6.237	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC(C)=C2C(=O)Nc2ccccc2)cc1	97999447	CORRWMKNFCUVSY-NDEPHWFRSA-N	559.091	6.445	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c(Cl)c1Br)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1	98001249	UDPXLSKRQGCMCU-HIUVJMHLSA-N	769.422	7.047	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2OC(=O)c2ccc(Cl)cc2Cl)cc1	98001304	GNMHNDQAGLOYHX-ODQASSKESA-N	673.336	7.851	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12	98008189	RDMQAONAVWBBKJ-UMSFTDKQSA-N	575.043	6.985	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@H]1c1ccccc1F	98043576	QIZDPPIFVFPNRM-HSZRJFAPSA-N	531.531	5.642	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2nc3ccccc3s2)=C(C#N)[C@H]1c1ccccc1	98048680	OQRAPIZUIHZLPP-HHHXNRCGSA-N	567.696	6.011	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	98048906	ZMLQTHGQUZIOAH-SANMLTNESA-N	547.080	6.565	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccc(Br)cc3)cc2[C@H]1c1ccc(Br)cc1	100035375	UGFYPCHXFAYJPI-FBXLXJJESA-N	525.200	5.886	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c(OC)c1OC	100852165	MZZQONSNZWUNGB-CAQPMQTCSA-N	573.719	5.808	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1	100990628	WUVGIJZBPWGONJ-OGCOBRASSA-N	601.353	6.541	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	101732392	CPZWFPOLSMBRCR-DJENULIMSA-N	554.434	5.669	50	40	KKGB	
CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341642	LBEVULSKVIQBOF-AWEZNQCLSA-N	692.329	10.865	50	40	KKGB	
Fc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2F)C1c1ccc(N(CCCl)CCCl)cc1Cl	150374460	ZJHFNZXLPZHYDC-UHFFFAOYSA-N	832.950	9.877	50	40	KKGB	
Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)NC3CCCCC3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)NC3CCCCC3)c2c1O	150669709	JDZIFFXTUCMJPQ-DKFPTVNJSA-N	796.966	8.689	50	40	KKGB	biogenic,in-vitro
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539065	FBEKKBAKYSWDEK-OHUYPAJKSA-N	634.483	6.687	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccccc1	408539808	JUVPOGUPFWLNJY-PCLIKHOPSA-N	605.326	8.442	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408540799	VZLNXEQXZMRZKV-UCMJSZAQSA-N	569.614	6.314	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551438	KTXXZIJOELAMLM-CXUHLZMHSA-N	562.812	6.748	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1nc2ccc(F)cc2[nH]1	408570535	WMEPEDNAXKXHEY-SXGWCWSVSA-N	527.191	6.870	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCc1ccc(Br)cc1	408579988	MIDVACFNVJANEP-RGVLZGJSSA-N	620.281	7.113	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408582691	OZVDAIIGMHYJIQ-DEDYPNTBSA-N	528.424	5.997	50	40	KKGB	
O=C(NNc1ccc(OCc2ccccc2Cl)c(Br)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	408604231	HTVVRUXQSAPPDP-MRXNPFEDSA-N	532.797	5.317	50	40	KKGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccccc1	408607946	FVFQFUXBCOENRK-NKZWWHGNSA-N	514.807	5.009	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3ccc(I)cc3)c3ccccc23)c1	408710565	IWQYKCKMSBDUSR-RWPZCVJISA-N	553.400	5.384	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408729857	DRRVFRHUIZIJCK-XKJRVUDJSA-N	619.874	5.931	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c1	408743900	CHAHCAWBKVZJMA-XKZIYDEJSA-N	517.412	7.670	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747186	KEYZOGHESRZZIG-APSNUPSMSA-N	635.106	6.827	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408785576	ZWWFJFQYUVSWPR-OKCVXOCRSA-N	602.860	6.165	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	408788562	LDPAGEIDTXIDPU-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408794045	HPONKCHYUTTYPO-UDWIEESQSA-N	525.388	6.303	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1	408806679	AYVJRAURBCTREF-GRSHGNNSSA-N	546.248	6.567	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408807214	GNKODKAGPHFIIF-ZVHZXABRSA-N	511.021	7.552	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cc(Cl)cc(Cl)c2)cc1	408825994	BXRLAXJEGHEWFQ-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1cccc(C)c1	408829264	FHRQDGHFAGVIMK-MFKUBSTISA-N	617.927	8.123	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OC(C)C	408829560	OEMOUXRZCFMQLS-RGVLZGJSSA-N	604.328	8.066	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC	408831207	QDJUILYUDMPLOD-DEDYPNTBSA-N	553.840	6.801	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccccc1	408837459	FWCXCVOBFSQUBW-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408837861	AEXTXOJCVBYFGO-MUFRIFMGSA-N	531.062	7.715	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)c1	408838648	YZCUMVHCVJIMHA-PPOKSSTKSA-N	579.678	5.773	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408845136	OVGWXGIEFMWKNP-IZYHBKOJSA-N	662.551	7.851	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408847413	MLYQHLGELXKPLM-WBIBEUCMSA-N	677.824	8.974	50	40	KKGB	
C#CCOc1c(CC=C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408850909	GGIXYBNMJDPMMC-NVMPUMLXSA-N	503.602	5.966	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)c4ccco4)c3C)sc3c2CCCC3)cc1	408852092	IBXPZTYLRBNVJT-MWLSYYOVSA-N	500.624	5.952	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC	408855688	GIMQRPGZTMMWQW-GATIEOLUSA-N	568.218	5.062	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	408863151	PQHQTHCJRXIHPR-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1Cc1ccccc1Br	408867137	JMZDWWVVTOPMHE-RGVLZGJSSA-N	509.831	6.864	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(Br)c1OCc1cccc2ccccc12	408869036	QKYGEZIIJDBJGI-MWLSYYOVSA-N	504.384	5.739	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OC(=O)c1ccccc1	408888607	XUOLHJXKTOVCKC-LICLKQGHSA-N	522.311	5.131	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408963732	OTSNBMHCNZQLND-VFLNYLIXSA-N	566.330	6.118	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409037694	UHSRXHBLUYMRLT-ZSNJKBEMSA-N	633.571	8.812	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12	409046598	RSKMEDFTVDYLOS-NCORDJIRSA-N	580.471	5.889	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(C)cc2)cc1	409047221	NVSMUZUGIILTJX-GZTJUZNOSA-N	517.390	5.624	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409069868	AXBCDDLXDUYNEO-XMHGGMMESA-N	524.982	5.096	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	409175603	SSCCUYZRXCBWLY-XAZZYMPDSA-N	697.313	5.278	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1	409187336	PBECPYOOEZNPPC-LGJNPRDNSA-N	532.232	5.872	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409200049	GAICXAQQUBDVAH-RPPGKUMJSA-N	611.845	5.683	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1	409218669	JOEMDPNUZLGPNE-UHFFFAOYSA-N	546.377	5.586	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1	409224770	MPEPXILSOAYQSQ-LFIBNONCSA-N	526.774	5.371	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409225446	QUIMWMVUGLIOOR-LPYMAVHISA-N	595.437	5.239	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409225805	LJIFTLCMAWFMIL-VYYCAZPPSA-N	577.350	5.009	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	409233995	XNGNDPIRTIZXBS-SZJFIWSWSA-N	511.578	6.085	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)cc1C	409256465	LKITZZLQNYCDKT-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccc(Br)cc1	409315640	KBKHOJKBQCQKKB-HQDYHJHZSA-N	668.382	7.541	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)cc1OC	409320669	BVVYRUQUTGZIHM-ULPWCQAASA-N	631.148	7.269	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCc1cccc2ccccc12	409365125	PZMBCEIWMJMJKN-FMCGGJTJSA-N	528.402	7.373	50	40	KKGB	
CSc1ccc(/C=N\NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409368009	LJEKZQMCVBWVBV-WGARJPEWSA-N	566.930	5.166	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1	409373859	VMOVMKZQPPFADC-FJEPWZHXSA-N	505.933	5.422	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409376727	AMIKSXBLNLJZDM-LGJNPRDNSA-N	523.269	5.163	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)cc(OC)c1OC	409395653	QGTXICOBFHWMFW-UHFFFAOYSA-N	750.444	7.435	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc(Br)cc1	409395875	SRZDQIVBBCVTLU-UHFFFAOYSA-N	635.287	7.482	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)cc1OCC	409395972	URPUPAGDIYCVSW-UHFFFAOYSA-N	767.902	9.356	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409396377	YAPDVASSWNXBJF-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409398430	SXZLUVWZSSUNJD-UHFFFAOYSA-N	619.415	6.414	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(Br)cc1	409399568	KBZUBHYBVCEPPE-UHFFFAOYSA-N	628.523	7.380	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1cccc(C(=O)O)c1	409399965	AOMDRHACAOEDRV-ADJDCTSUSA-N	706.977	7.732	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1cccc(F)c1	409404135	OWBHHSLJJUJRJA-VHFSBPNMSA-N	646.513	7.519	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(F)cc1	409406377	WKRHAKMLQZCVJU-KOKCXWAISA-N	616.089	7.800	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4cccc(Br)c4)c3C)o2)cc1	409410607	YJYJINDSOKBCJT-OHUYPAJKSA-N	585.502	7.200	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(Cl)cc1Cl	1531386390	WVESZUSMKDWNHM-VHFSBPNMSA-N	618.517	7.924	50	40	KKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21	2325173	QFUHEEBPWLLVDR-MXNGAVTRSA-N	527.422	5.124	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)cc1C	3116107	UCJJPNUPVVBFIM-KVSWJAHQSA-N	578.232	5.716	50	40	KKGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1	3180872	KPPTYDHQPHABOQ-CSPQHYJGSA-N	545.042	6.619	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)ccc1OC(=O)c1cccs1	3234494	VTXVVGHYPIPXDD-KBVAKVRCSA-N	542.016	6.608	50	40	KKGB	
COc1c(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc(C)cc1/C=N/NC(=O)COc1cc(C)ccc1C(C)C	8426928	ZKIKXBCGXBZRPI-PKRYOZTKSA-N	586.733	5.925	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1OC	9553742	DQNJSMYMMRKIRF-QRQIAZFYSA-N	528.078	5.753	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	13282225	MHFBATOXDRQKKC-NDEPHWFRSA-N	524.646	5.792	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccccc1Cl	13940999	VPTVRYSUSXPFCP-OGLMXYFKSA-N	510.450	6.182	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1	19826109	AHUSXJCAUMQRCG-AWSUPERCSA-N	517.658	6.542	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OC)c1OCc1ccc(Cl)cc1Cl	33497529	HIWHWUJCDKVJDS-WGARJPEWSA-N	500.425	8.527	50	40	KKGB	
CC(C)(C)C1CCC(=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1	59435900	QNCIHUNDZRWQDF-UHFFFAOYSA-N	504.096	5.282	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N/N=C/c1ccccc1Cl	97962728	UEVVBIKPGHGFLK-DPNNOFEESA-N	526.423	7.405	50	40	KKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OCC)c1C	97979998	FTILGHLESBNLAZ-BUVRLJJBSA-N	547.677	6.126	50	40	KKGB	
COc1cc([C@@H]2CC(=O)N3CN(c4ccc(Cl)c(Cl)c4)CSC3=C2C#N)ccc1OCc1ccccc1	98048437	QEYIUYKXSVMGEB-NRFANRHFSA-N	552.483	6.800	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100119012	HXGBRZWFRSVENG-WEHZEOHNSA-N	577.537	6.939	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100122872	FPMULMDUFBRAOL-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	100287869	RSOODCPWYDGCKV-KCSSXMTESA-N	623.087	5.490	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1C#N	100544462	BIRDJKMBUMEBIW-KNBZMSCYSA-N	592.277	5.586	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(C)cc2)cc1Br	150462927	ZUUSQQDNPBFGMO-VTNSRFBWSA-N	688.442	6.282	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2cc(Cl)ccc2OC)cc1OC	150474524	VGMOYXDJYMYRMF-ATZGPIRCSA-N	645.565	5.772	50	40	KKGB	
C[C@@H](Cc1oc2c(c3c(c4ccccc42)O[C@@H]2CC(=O)O[C@H]32)c(=O)c1[Si](C)(C)C)O[Si](C)(C)C(C)(C)C	195752311	SXDPQWBXXUTVBE-OIXWISFJSA-N	538.789	6.193	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408539804	YZWREMDZGLNQJJ-GXBUFBABSA-N	635.628	8.746	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1OCC	408540355	QQTRPHSAVGYFNU-OFWBYEQRSA-N	531.535	7.694	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1	408541838	HZJOGVIRNMYCOY-IUXPMGMMSA-N	512.305	5.724	50	40	KKGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408541973	ILJLUOHGEBOFAZ-MYYYXRDXSA-N	545.643	5.909	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1	408551662	FDUHNNQMQWWTLC-OQLLNIDSSA-N	542.220	6.714	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551712	MDMVYGINKSGEDN-CXUHLZMHSA-N	558.874	7.737	50	40	KKGB	
O=C(COc1cccc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)c1)Nc1ccc(Cl)c(Cl)c1	408554152	ZURKNYNETVSZIV-ULPWCQAASA-N	510.299	5.794	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(OC)c1	408567408	MVRLRJMUVUCOTB-RPPGKUMJSA-N	595.777	5.213	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12	408567633	FXRNSGSSXAJWMM-OCSSWDANSA-N	559.669	6.335	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccccc1F	408583403	UHIPWUFVJXTVBK-RGVLZGJSSA-N	512.375	6.647	50	40	KKGB	
O=C(NNc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408610461	UIPIJJDFMVOZGL-MRXNPFEDSA-N	504.801	5.722	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408746903	HMLMDDSRUOHACR-YVLHZVERSA-N	542.773	6.144	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)cc1	408747033	YDECFUYVLDZCBR-GRSHGNNSSA-N	522.786	6.107	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408748457	AMLBDSJCLIKLSY-KYHGBAKBSA-N	706.293	6.000	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408754069	DDFACCTVWBDRSN-ALQBTCKLSA-N	704.640	6.907	50	40	KKGB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)c1	408764013	HUOJTJQEDCAUKZ-ZDLGFXPLSA-N	512.791	5.842	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(I)c2)cc1	408790171	UNVRKNMTXRWOAA-OQLLNIDSSA-N	536.167	5.064	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc(F)c1	408790423	WBWYMQBOJFAXNH-VCHYOVAHSA-N	540.345	6.020	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408792668	BHWIHHQLZFHKFO-YBFXNURJSA-N	536.338	5.269	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(I)cc3)cc2Br)cc1	408793453	OXLJUDHLMZFSBH-UDWIEESQSA-N	617.281	6.749	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccccc1F	408794097	HMFMFTOMMQCKDX-GIJQJNRQSA-N	529.793	6.683	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c(Br)cc1OCc1ccccc1C#N	408808450	PRAFSOYWPPVPCM-QCVQICJNSA-N	508.416	5.510	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408812765	PLTBJQGTQFVQNN-ZVHZXABRSA-N	559.449	7.706	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(I)cc2)cc1	408813034	DGBRJPKZZCFNIZ-PKAZHMFMSA-N	505.359	5.821	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccccc1F	408814562	HIERJRYJVJRQID-BOPFTXTBSA-N	624.191	6.160	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1c(C)ccc2ccccc12	408816328	YGTWMEKAMZKHNY-LPYMAVHISA-N	633.442	7.184	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1Cl	408820835	ZIFFEXDQHJLPHS-NSKAYECMSA-N	515.180	6.577	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408826715	IYJWPIKJAWISDW-QXUDOOCXSA-N	638.142	5.681	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408829004	NQDKMALXKUTRLQ-PTEHHBOZSA-N	746.294	7.996	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1cccc(C)c1	408830672	ONPOOOQKJZMSEW-OGLMXYFKSA-N	611.536	8.168	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	408833160	VWSSCCNOLCQTNQ-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)c3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408834976	VRUIZFKJCSVKIG-STBIYBPSSA-N	522.026	5.396	50	40	KKGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1	408844337	CKZOSUKAJPTATA-MLPAPPSSSA-N	517.756	5.040	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)/C=C/c3ccccc3)cc2)c1	408849057	XUWCSXYCFCACBK-HHXREPPISA-N	582.454	6.393	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(Br)cc2)c(C)c1	408857036	MLAHQOYJLMTTNT-FYJGNVAPSA-N	554.282	7.262	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC	408859428	UGNSGHBADCTNQX-KSEXSDGBSA-N	510.182	5.519	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)OCC	408859797	ZCBQSRNSUNABOU-GXBUFBABSA-N	600.513	6.650	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OC	408861624	TXIZJZRRTZAVHW-VWJSQJICSA-N	660.896	6.040	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408871545	HEFUFUOWVGKEJR-FYJGNVAPSA-N	506.911	7.637	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3F)o2)cc1	408873138	NNBBVXQETUKAAQ-CNCDYAKUSA-N	617.486	5.514	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408876081	MQHTZZSJQOZEEN-MPRHAZATSA-N	635.360	7.508	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OC(=O)c1ccccc1	408883665	UHFNVBDWDJBDTG-CXUHLZMHSA-N	593.204	6.371	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408891554	SIHUOPQHNRTZOC-UDWIEESQSA-N	602.450	5.538	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1ccccc1C(=O)O	408891817	VUNVBYMORDKFLC-LICLKQGHSA-N	556.210	6.034	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc(Cl)cc2)cc1Br	408954808	ZRUBAVRCUMJBCB-GDLZYMKVSA-N	702.027	5.575	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCCOCCOc3ccc(C)c(C)c3)c(Cl)c2)cc1	408971597	JWCBMBVRFBTMPG-HZHRSRAPSA-N	539.459	6.939	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1Cl	408990575	XLZJJMNQNQXUQL-ZXVVBBHZSA-N	514.028	8.319	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(OCc2ccc(I)cc2)cc1	408992589	AOUYUHWXNJKLSZ-ZRGSRPPYSA-N	644.101	5.924	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1cccc([N+](=O)[O-])c1	409012123	JFNXFYCMCZCCSE-KKMKTNMSSA-N	650.223	6.060	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc(C(C)(C)C)c1O	409020835	UNENWRDQUFLSEZ-OPEKNORGSA-N	526.269	5.982	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2F)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409030173	CPPAHQGEKMBATQ-OHUYPAJKSA-N	554.419	7.146	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1	409046036	ICFDBHLXASEODF-GIJQJNRQSA-N	560.673	7.298	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409049288	QDBNUNHHGRUOJJ-DLCNMLRHSA-N	652.319	8.156	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1	409050122	ZBKKMAVEMULWCW-LZYBPNLTSA-N	591.643	6.898	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1	409078088	GOKLPRGOHFGMSB-NTEUORMPSA-N	527.262	5.743	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409080004	HJESEQYBBCOBHP-RQZCQDPDSA-N	637.352	7.182	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccccc1F	409123501	GQSKIDKCCZTHJG-HSZRJFAPSA-N	573.406	5.138	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1	409130768	UTSOQOYXZRYHPI-JOCHJYFZSA-N	528.834	5.420	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12)c1cccc([N+](=O)[O-])c1	409184531	XYTDVMDMVJHGFG-IGTHXMFTSA-N	621.993	5.123	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)NC1CCCC1	409191944	QUJNRLDPEKYNHC-PXNMLYILSA-N	522.212	5.895	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1	409195949	XCPXSBDEQWSFRV-RPPGKUMJSA-N	543.392	5.367	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccc(Cl)cc3)c2)cc(OC)c1OC	409217701	ADJLKCOBGUOACM-XGSVRVFBSA-N	692.950	6.763	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1	409225888	SGHKQZRNQWIDLQ-CCUYQKNOSA-N	583.000	6.192	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1	409232001	MOJDGVRCEUMERJ-MUXKCCDJSA-N	566.798	5.754	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409232982	UACKSCULQVJXRP-WKIKZPBSSA-N	505.771	5.522	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409241807	VAMDXDRJVHDMCA-QLTNSANVSA-N	550.409	6.119	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)c(OCC(=O)Nc5cccc(C)c5)c(Cl)c4)cc3)cs2)cc1	409264683	RCYKAOPZJNIQHN-RODHXAHZSA-N	644.584	8.259	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)c(C)c1	409266420	WRNPHQAIEDNAOO-SRZZPIQSSA-N	611.334	7.008	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(Br)c1OCc1ccc(Cl)cc1	409370769	BBQBEIQPFOSLFE-UVHMKAGCSA-N	530.806	5.412	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409376867	DOYCRSHVYFQMQA-WQRHYEAKSA-N	550.955	5.219	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(OC)cc1	409382894	XEOOIEWUBBHJPK-CPNJWEJPSA-N	539.510	5.676	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409390670	GMAXNRTYHUVVCG-IWIPYMOSSA-N	501.399	7.639	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Cl)c(Cl)c1	409400165	BUBLHELLGDWGSR-UHFFFAOYSA-N	652.962	8.578	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCC#N)o2)cc1	409401876	IMTWXBHMFMOZNK-UHBFCERESA-N	547.409	5.695	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccccc1C#N	409403615	NOVOSYMJEUYZGB-KWQVAVEISA-N	667.560	7.642	50	40	KKGB	
ClCCOP1(OCCCl)=NP(OCCCl)(OCCCl)=NP(OCCCl)(OCCCl)=N1	1083812871	JUHIBRAFRKZALE-UHFFFAOYSA-N	611.979	7.371	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1	1529548104	XTAKVZKETLGOQJ-AHKFIOAWSA-N	766.512	6.829	50	40	KKGB	
Cc1cc(C(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)OC4=O)c(C)c2)ccc1Oc1ccc2c(c1)C(=O)OC2=O	2362803125	HJGACPZVRDTNFY-UHFFFAOYSA-N	548.547	6.835	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1	935382	RBBOPARJSZWUTF-AXVPLRHPSA-N	577.287	6.092	50	40	KKGB	
O=C(ON=C1c2ccccc2[C@@H](Br)[C@H](Br)c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1854871	JVHXRUYNEQGIHF-WOJBJXKFSA-N	575.169	5.998	50	40	KKGB	
O=C(Nc1ccc(SSc2ccc(NC(=O)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12	1892226	CICBJEYSZJXRMO-UHFFFAOYSA-N	556.712	9.297	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C)nc3sc4c(c3c2=O)CCCC4)cc1	2238545	JUMXZMGKLISBBL-RWPZCVJISA-N	502.665	5.185	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	2246164	KNLOCORNTCJCHA-MEPUESOJSA-N	519.736	7.793	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	3081372	CWQXHBTYAZZHST-KPGMTVGESA-N	500.561	7.208	50	40	KKGB	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)c1	8425359	LFCGRZVNJLBFCQ-RNBKDOAQSA-N	516.406	7.195	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	8429983	LHDJDIMHOGJSQB-RUZDIDTESA-N	552.578	5.683	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	59435278	JHXQPACERFXFKL-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3ccccc3nc2Cl)c2cc(Cl)cc(Cl)c2)cc1	59647022	DUOQBOBMGMBIQY-IPPBACCNSA-N	561.878	5.849	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	100128439	BLKXOYRKUBUXAD-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1	100398252	XFEVVPAPPCRWMA-BVMLUPFRSA-N	619.914	5.720	50	40	KKGB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(SSc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1	100503410	PQVKBTXLXZNAQN-PLBXOQJTSA-N	540.666	5.109	50	40	KKGB	
O=C(N/C(C(=O)N1CCCCC1)=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1	100675492	XMWBCSCIHQKJRR-KTMFPKCZSA-N	534.596	5.812	50	40	KKGB	
COc1ccccc1C(=O)N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21	100685873	ROQZOCXXIBHFES-IYOYZZHUSA-N	583.486	5.598	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccccc1Cl	104401983	PCYNNANXJDUAEZ-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
C/C(=N\NC(=O)[C@H](C)Sc1nnc(S[C@H](C)C(=O)N/N=C(\C)c2ccc3c(c2)O[C@H](C)C3)s1)c1ccc2c(c1)O[C@H](C)C2	150574302	XOXIDXFOQLFJPV-PHCZRTNMSA-N	638.841	5.227	50	40	KKGB	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O[Si](O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)(O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1	263606304	QSOSRZUCTBYVBZ-XABHBNDFSA-N	967.461	13.584	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408549983	CKJDISKOVKOYBV-VCHYOVAHSA-N	563.433	6.294	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408551306	JZMSOOOZGRGINZ-MKMNVTDBSA-N	603.211	7.882	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1	408552526	JIAAWOYPQZNGDI-BCHBDCPOSA-N	600.094	6.300	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OCc1ccc(Cl)cc1	408566919	JDQJCBIICZDLMO-JMIUGGIZSA-N	526.761	6.468	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408569789	PYONXQIMOPNZGA-CCVNUDIWSA-N	618.531	5.953	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408570566	WVOYMZCXQDXCFC-WKULSOCRSA-N	632.558	6.343	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Br)c3)CC2=O)cc1	408601530	BHJVZHAYZFIELR-IBGZPJMESA-N	542.861	5.740	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O	408640379	HULUYXGNBWKYHB-NRFANRHFSA-N	515.780	5.527	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccccc1	408648853	KJGHLZCVYWDCFB-IGQFXSRTSA-N	629.132	5.011	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408673935	WDVUAXGCZVPWGQ-TVFCKZIOSA-N	554.666	5.327	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408725247	IXVNTEASDSNYJV-CIAFOILYSA-N	583.382	5.400	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	408725366	FOZNZIRBDLMTEE-ZCTHSVRISA-N	548.064	5.649	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408725555	LTHNOXUZDMNNFU-UNOMPAQXSA-N	541.829	6.634	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)c1	408741372	LOMLLGACXPJNDW-ODLFYWEKSA-N	588.829	6.477	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OS(=O)(=O)c1ccc(C)cc1	408755819	NFCWOZGJIQXIQS-LFVJCYFKSA-N	512.587	5.860	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408756525	SPFSZMPKQJCNCT-ZROIWOOFSA-N	597.230	5.977	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(I)cc1	408758523	LSWNXVGHKDEKLC-UNOMPAQXSA-N	603.254	6.577	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1	408761054	HAECNOBMAZNBEJ-CPNJWEJPSA-N	538.387	5.733	50	40	KKGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408762803	MGMXKHQLABQHNJ-AMVVHIIESA-N	624.358	7.063	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1cccc(F)c1	408762914	CLSMZXYBYPCGEJ-NVMNQCDNSA-N	529.793	6.765	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(Br)c1OCc1ccccc1	408767020	YKYJOURHTGVMPV-UNOMPAQXSA-N	603.254	6.577	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)ccc1OCc1ccc(Br)cc1	408778179	QDROEBNJGKKTKE-QJOMJCCJSA-N	548.481	6.819	50	40	KKGB	
COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I	408789156	OGFJGQRITSPRAT-VGOFMYFVSA-N	558.157	5.067	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccccc1Cl	408789626	QLGLUBUPQQOMDX-KGENOOAVSA-N	564.810	7.222	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408790424	WCBMTDHBTYERPY-LHHJGKSTSA-N	649.981	8.950	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408790430	WCWYTJQDCUMKGJ-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408808390	GCFYUVRJHKCDST-PXNMLYILSA-N	597.211	6.870	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408815100	IGKPMEUTWOFQDD-GGTZSEDXSA-N	507.845	6.836	50	40	KKGB	
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1C	408818315	ZYQKQBLMFIHVME-XLNRJJMWSA-N	500.668	6.062	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(C)c(C)c1	408818362	XRWZEMVAMUDOTN-WSDLNYQXSA-N	552.412	6.350	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4cccc(C)c4)c(Cl)c3)cc2)cc1	408824964	IKBIOALFIGMXJR-WPWMEQJKSA-N	523.032	7.661	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)c2C)c1	408826398	GILZXXHLBYXLQP-VVEOGCPPSA-N	555.022	5.299	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2c(C)ccc3ccccc23)c(OC)cc1Cl	408834846	VXEMDPANZMNEPE-CIAFOILYSA-N	547.438	7.597	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc(OC)c1OC	408839014	LQBJWVPGAYHOFW-WCMJOSRZSA-N	622.428	5.303	50	40	KKGB	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408839886	WWZOANZHAHZILH-UHFFFAOYSA-N	518.809	6.189	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840856	CKKDPJBQSWOQRK-LUOAPIJWSA-N	562.276	7.093	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(C)cc1	408845432	GVXHWGLJSQNREW-OYKKKHCWSA-N	558.476	6.482	50	40	KKGB	
CCOc1cc(Cl)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408846601	UDGVTERLNXYZBX-WKULSOCRSA-N	521.042	6.687	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408847733	UGMIXFYIFFXAOH-VVEOGCPPSA-N	629.920	6.294	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408851430	JZJAZAKILIBHPY-OCKHKDLRSA-N	695.182	7.687	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(C)cc1	408853645	VUPVIUCNNVNRFD-BZFSWPTRSA-N	583.732	8.231	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc(F)c1	408857577	VDEKHNBSBRFKIM-QJOVZPHJSA-N	659.499	7.548	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408860147	WHGCIWCMBODXMY-KULFSUQXSA-N	719.485	7.614	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2cc(C)ccc2C)cc1	408863654	OHKSZQZMAMJPSC-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	408871469	YHNVMWVGLWDWLY-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408873851	WFSBJRCXOAVGLN-ATZGPIRCSA-N	645.952	6.010	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1	408873922	XFMPEBGSIBHGDU-BVMLUPFRSA-N	619.914	5.720	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408880803	IQCVMGSSWYOTLA-BHGWPJFGSA-N	505.270	5.375	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)cc1	408883997	SCDARBIYOUNBNX-PPOKSSTKSA-N	579.678	5.773	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408894739	JCLRBBMJGVJJNL-MUFRIFMGSA-N	548.393	6.252	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904015	CIUSXIXGRHHMHB-BCHBDCPOSA-N	685.187	6.032	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccccc1	408905062	SOJFDMXDXQWTBN-VYYCAZPPSA-N	585.354	5.687	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OC)c1	408923950	MEFBQZZRTZQLIN-RZNGARSMSA-N	641.508	5.301	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OCc1ccccc1C	408925520	RUQDUVMXGMGVSZ-RGVLZGJSSA-N	572.830	6.776	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408952613	KTJDHRPQQWOHLK-ILBQVMEMSA-N	754.849	6.717	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408966978	ONBBEYPHYQGQSZ-IURWMYGYSA-N	629.348	5.629	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	408971535	HVWLAQOBLFLDDA-SPWMPQJHSA-N	529.808	5.004	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OC	409014263	WUJAUOBCHMMJHK-NUGSKGIGSA-N	622.051	5.734	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409031666	JZTKEBOAUGQBLJ-MNBJERMJSA-N	563.526	6.283	50	40	KKGB	
CCOc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)cc1OC	409036134	KWQIVUWGCURWPG-LQKURTRISA-N	551.384	5.678	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1OCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409038458	OZGOPIOVDNVAER-QNVXDBMFSA-N	731.215	8.919	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc(Br)cc1	409038603	PNXKDXDYNWFZSR-DPNNOFEESA-N	613.537	7.668	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1cccc2ccccc12	409039604	RLFFPYOPCDBLKG-BIKKEBSBSA-N	586.091	8.450	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409048691	UOLFLAYWAHCUDN-UDWIEESQSA-N	534.410	5.638	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1	409078428	HTLLTVXRKJGWOE-LICLKQGHSA-N	560.326	7.331	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409080754	MOPNENJUNNKKIL-DEDYPNTBSA-N	516.466	6.395	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(F)cc1	409131068	JNFWUYURZUNERO-SANMLTNESA-N	598.513	5.949	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F	409155190	QFQSFKDVYCWWPN-ROPCREHHSA-N	635.437	5.535	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409212583	QTWWXZGWXPFQKI-RWPZCVJISA-N	526.014	5.807	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409218136	SSPJRGLUYUWJOG-APSNUPSMSA-N	538.612	7.961	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccccc1	409227092	XLDYDDHHQOLGJQ-UHFFFAOYSA-N	541.991	5.974	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409227159	SRMMOXIKBWFSAX-VINWBJBXSA-N	592.608	5.937	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1	409229985	AMPLCUQJAXQEBH-PKAZHMFMSA-N	555.472	6.846	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)NC(N)=O	409232709	OYLNIKZUFCLMHM-PXNMLYILSA-N	529.188	5.046	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)n1	409243900	YTGIIDFHULUPJA-NSKAYECMSA-N	554.297	5.984	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409254845	JACLFQUONFTAEU-NDENLUEZSA-N	534.410	5.638	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409260834	XGRKKXCCDUTJSX-BKUYFWCQSA-N	534.012	5.927	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1	409264867	GRLQNYYCZOSGLZ-XZYGTATASA-N	626.138	7.387	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OC	409314875	UEKXYWPDHCNFMX-UHBFCERESA-N	573.871	6.418	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1OC	409318079	WTBVSQFIDHQXMZ-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	409358184	DBONZTPHGGNLGF-MBTHVWNTSA-N	515.835	6.081	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1cccc2ccccc12	409373292	GSHNMXBZQRTBPV-LPYMAVHISA-N	524.418	7.439	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccccc4F)c(I)c3)[nH]c2c1	409374713	XIKKSNAWBUEMHP-MFOYZWKCSA-N	635.218	6.863	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409394875	GYNPCEZUBLVWRR-UHFFFAOYSA-N	739.262	8.172	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)cc1OCC	409395412	NGXPBHRQSBFKEL-UHFFFAOYSA-N	831.299	8.745	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)cc1OCC	409395690	QSIWMBPPXQWBBD-UHFFFAOYSA-N	705.403	8.140	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)cc1	409399350	ZUHJTDPHGMVAII-UHFFFAOYSA-N	523.592	7.280	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3O[C@H](C)C(=O)O)o2)cc1	409400651	DXBHAWUTDCBRIT-SQZAGUJWSA-N	625.432	5.553	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OC	409401906	IPMZGXJSOXJFPA-UHBFCERESA-N	566.452	6.200	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc(F)c4)c([N+](=O)[O-])c3)o2)cc1	409404272	PQGGKILTFTZNSV-HQDYHJHZSA-N	582.588	6.656	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1cccc(F)c1	409404550	QFIABGRXTSOHEK-VHFSBPNMSA-N	693.513	7.361	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409405098	SCDMWCHESWALSW-YTTULNESSA-N	622.722	6.768	50	40	KKGB	
FC(F)(F)[C@@H](Br)COP(OC[C@H](Br)C(F)(F)F)OC[C@@H](Br)C(F)(F)F	1083812456	DAGQJRFNRBCFAT-HCWXCVPCSA-N	606.836	6.241	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccccc1OCc1cccc2ccccc12	1529547343	KOKCAQCRVGIHEZ-RUWBHFIDSA-N	608.720	5.304	50	40	KKGB	
Cc1ccc(NC(=S)NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	1770083	KMRWGTLFIPLKRX-UHFFFAOYSA-N	544.750	5.959	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)sc2c1CCCC2	1773209	VTQVVSNZNWDZRJ-LTGZKZEYSA-N	514.603	5.877	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)ccc1OCc1c(Cl)cccc1Cl	1784153	IFYDHWVMKHGGFC-KLPHOBTLSA-N	571.486	5.382	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1	1790457	GZSCILAKGYFHHU-HVBJHMBASA-N	542.875	6.389	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccccc1C(F)(F)F	2232055	UWYASXHXIJJQEW-AMVVHIIESA-N	542.608	5.587	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc(Br)cc1	2321910	XFVRWDUOTXXINX-ZVBGSRNCSA-N	513.895	5.489	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1	2672034	FDVHSYYMGNQIMS-OEAKJJBVSA-N	503.967	5.302	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1OC	22837143	HSXZYIVALOBWQN-XLNRJJMWSA-N	512.997	5.476	50	40	KKGB	
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O	42490728	ADFOJJHRTBFFOF-KPUUQYQLSA-N	520.390	5.299	50	40	KKGB	biogenic
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl	59383061	KXERPQQKBQQOHE-LQKURTRISA-N	514.047	5.029	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1cccc2ccccc12	59447277	DEQPYJNLOWXIIZ-PPOKSSTKSA-N	516.597	5.814	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1c(Cl)cccc1Cl	95752836	SSGKWBHOBWJMCN-DGFCNKCGSA-N	549.454	7.166	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	97960849	IKPFRNWXTGKGEY-PNQUVVCRSA-N	581.186	6.445	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	97962828	RVNRUKXLNHQQRB-FMFFXOCNSA-N	580.666	5.306	50	40	KKGB	
CCc1ccc(-c2cc(C(=O)N/N=C3\C(=O)Nc4cccc(Br)c43)c3cccc(Cl)c3n2)cc1	97965707	QXAFAELYIUMDDO-UHFFFAOYSA-N	533.813	5.966	50	40	KKGB	
CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3cccc(NC(=O)c4ccc(Br)o4)c3)c3cccc(Cl)c3n2)cc1	97965757	XZIYMGFAMQDBAT-VHFSBPNMSA-N	615.915	7.879	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126209	AYDXKSYRAPGLBR-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1COc1ccc([N+](=O)[O-])c(C)c1	100292330	AIOXQNCDLVWSPW-OXUBWTJQSA-N	538.775	5.192	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1	100990624	WUVGIJZBPWGONJ-MZOFLMDJSA-N	601.353	6.541	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccc(Br)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	101695253	JOKUOQNJRAAESV-AREMUKBSSA-N	606.498	6.170	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OCc1ccc(Br)cc1	102230200	NQSOTNFQMNAQSF-AQTBWJFISA-N	531.328	6.601	50	40	KKGB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccccc1Sc1cc2c3c(cccc3c1)C(=O)OC2=O	104085430	JPABSNFGBSHPSH-HZHRSRAPSA-N	540.000	6.674	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC	104111136	HCDXVJXCQMESJZ-DEOSSOPVSA-N	525.070	7.205	50	40	KKGB	
Fc1cc(N(CCCl)CCCl)ccc1C1N(Cc2ccc(N(CCCl)CCCl)cc2)CCCN1Cc1ccc(N(CCCl)CCCl)cc1	150373939	ZDDAJHJOIBUFQH-UHFFFAOYSA-N	780.515	9.084	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	150434091	LQZJYWUXBWEHRM-HUQNGGHASA-N	649.552	8.293	50	40	KKGB	
COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)NNC(=O)c3ccc(COc4ccc(Cl)c(C)c4)cc3)c2)cc1Cl	150451567	YYIPEDPBJNIFSA-UHFFFAOYSA-N	678.978	6.427	50	40	KKGB	
O=C(N[C@@H](Cc1ccc(N[P@](=O)(Oc2ccccc2)N(CCCl)CCCl)cc1)C(=O)OCc1ccccc1)OCc1ccccc1	150488521	GZYPHXQVUHOCPK-QGNNRMROSA-N	684.557	7.646	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164698676	WKGYLXQDTIXEHN-STZFKDTASA-N	673.305	5.797	50	40	KKGB	
N#Cc1ccc([C@H](Cl)[C@@H](Cl)c2cccc([C@@H](Cl)[C@@H](Cl)c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	226333286	TYWNYRTWAKWVCN-KIHHCIJBSA-N	564.212	7.766	50	40	KKGB	
C[C@H](CCC(=O)N/N=C/c1ccc(F)cc1)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253617033	LYGIRJHOSGMNLO-BJPJXYJVSA-N	512.710	5.683	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408537084	CCHPYSZEKYEOIS-PTZDRTPLSA-N	684.818	8.801	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	408540200	OOBOMCPWPPYWMY-YZSQISJMSA-N	541.003	7.869	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OC	408540669	VADKDRSPNSOGMS-QQXSKIMKSA-N	540.296	6.723	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408566522	AIMROAJQGAIIIG-VTNSRFBWSA-N	623.594	7.198	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)cc1	408653880	QBPCRQURPWCFDB-NCPQUSJXSA-N	764.876	5.434	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(Br)cc1Cl	408689765	SPNVZDJTGKYVAE-NCOADZHNSA-N	588.669	5.012	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408711609	BJKYGDPCASGVQW-MUXKCCDJSA-N	625.155	6.645	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408746612	TWYCVHQWURLRPI-PGMHBOJBSA-N	529.021	7.353	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747254	LDLBJEVDESOBNL-SXGWCWSVSA-N	625.542	7.752	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1I	408748194	ZVQQAYBNLYVEKX-OPEKNORGSA-N	542.204	5.778	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1	408757062	ZLEMWQBMEBOXMQ-YVLHZVERSA-N	557.198	6.244	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc2ccccc12	408757139	XJAILDANZNGLLX-MTJSOVHGSA-N	596.308	8.432	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1	408760966	BGGDPJQZEKMSSL-DHRITJCHSA-N	510.369	5.052	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCC(=O)OC	408792427	BEJVRFQCHDFCRG-FYJGNVAPSA-N	612.420	5.366	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1Cl	408795877	NKYICVUXFPQRLQ-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccccc1F	408796756	PUOCVLSQXJLKBD-UDWIEESQSA-N	509.375	6.420	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Br)c1OCc1ccc(Br)cc1	408802633	ZPIYHDABJPEENZ-UGPDPKQLSA-N	562.302	6.401	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1OC	408821088	CGDMGILUELZCMX-OCSSWDANSA-N	568.051	5.105	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1	408827057	CFWOTZHZCSOXKL-HPNXWYHWSA-N	612.151	6.915	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc(C)cc1	408835141	MOXZCTCMIMTWKW-WGOQTCKBSA-N	631.954	8.513	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)Cc3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408836022	PHCNPGFRDUJPDC-UXHLAJHPSA-N	536.053	5.325	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408838291	DFFPYYZIOKGHEP-UHFFFAOYSA-N	664.346	7.421	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408839355	RAJOBDCHWPTING-YLYVUXRMSA-N	701.415	9.149	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408852086	HZOLDRBYGVNGSI-KDHRXPGNSA-N	600.118	8.611	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408853691	WQOXOTGWRXZGNH-MNDYBZJGSA-N	618.400	6.975	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408855303	CEIHWPKTSXUAEI-SEBMTOOBSA-N	688.206	5.461	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cccc(C(F)(F)F)c1	408860419	VICLTUBUEKMPJQ-VTNSRFBWSA-N	555.578	5.354	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408863235	LHGMSKCJRADPEN-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c2ccc(C)cc2)cc1OC	408864619	XLWFBAZAPXTGDJ-FADJLKOXSA-N	635.142	5.654	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(Cl)c(Cl)c1	408881837	ORSOTBXZZCARFN-YPXUMCKCSA-N	547.063	7.406	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1Cc1cc(C)cc(C)c1	408882853	OLSBMYNRZZSWJQ-DJKKODMXSA-N	544.276	7.518	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1Br	408886261	JFLMTGALGGFYPJ-HYARGMPZSA-N	505.412	6.589	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1	408893007	DXCDBMJHOXUJOR-CPNJWEJPSA-N	526.228	6.645	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408894901	JRMMLIKPSOVJNJ-MZJWZYIUSA-N	623.241	5.444	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408898729	MQOVCAZYCRDPGS-JJKQSNDFSA-N	664.460	6.857	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1	408944912	JWQBTCSWEFOTTK-RUZDIDTESA-N	631.936	5.248	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1	408949440	QYPUZUZYQSPIJL-GDLZYMKVSA-N	637.158	5.121	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	409016464	TYYPXLWIPAZUSV-SEBMTOOBSA-N	601.504	7.651	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1cc2cc(Br)cc(I)c2o1	409017935	GLVNLPLWFSCRNQ-DHRITJCHSA-N	545.174	6.231	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409022297	MMGSKICVDAGVGG-DLCNMLRHSA-N	564.469	6.777	50	40	KKGB	
CC(C)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	409041552	JZONPPFOQPQYRJ-MKMNVTDBSA-N	523.181	5.700	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409054265	UACXIAPUZRHWHU-RPPGKUMJSA-N	532.778	5.671	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)c1ccccc1	409073980	OQVDKKRJYBVZIA-GZTJUZNOSA-N	519.214	6.043	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409084802	XPGZEQNPBSETLM-MHWRWJLKSA-N	606.351	7.121	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409093310	ZXTPCCAJWLMCDP-AWNIVKPZSA-N	590.263	8.277	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1cccc(Cl)c1	409104775	FKIMTNVPDWDQOT-QHCPKHFHSA-N	541.785	5.637	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc4ccc(C)cc4nc3Cl)cc2)cc1	409129243	KNKWYRBGSFXIOQ-LQKURTRISA-N	507.015	5.094	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1	409154482	BDGRYRWDIKJHMR-OKCVXOCRSA-N	557.434	5.279	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cccc(C)c1	409157817	WLFFPPDBDIVORU-VVEOGCPPSA-N	669.303	5.411	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc5ccccc5c4)c(Cl)c3)cc2c1	409186460	CGWJTBMRLRJCME-ZMGVVAQMSA-N	533.411	7.634	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1ccc(Br)cc1	409187236	NUZDDZDNWDFFID-LJUMEUDFSA-N	563.448	6.674	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(Br)c3)cc2c1	409188493	CAPXWCKZVCATNV-DBFSUHOCSA-N	571.811	6.289	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(I)cc1	409191347	WHBDGEKNDJYBEN-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409195116	RJPFWXAAMKGUMI-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	409210149	FEFDVGONQGBSPY-LUOAPIJWSA-N	706.727	6.069	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409219672	SYARMBIBDXAJIW-LNADQZHESA-N	646.881	6.466	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2ccccc2)cc1	409220424	ZCQQBUTWAZJFBL-ICUXMQDMSA-N	548.555	5.159	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1	409226553	USAKOGBVDAKLBX-FDVSRXAVSA-N	552.971	5.225	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)c1	409226915	XUANCPXCXCGCDS-BJUCDSOZSA-N	580.855	7.191	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	409227713	VMMUGYBVDGFFIZ-OVCLIPMQSA-N	624.116	7.082	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1	409233797	XKKNZKFMGALVPB-VBNMEBLOSA-N	530.249	7.119	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Br)c2)c1	409248074	BUOWOCCKWXVIOE-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409250909	NJLDVVHOSSUDHP-RQZCQDPDSA-N	637.250	7.102	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)ccc1OCc1ccccc1	409253416	FZPILYTVIPMSSF-WBIBEUCMSA-N	680.983	7.260	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409263420	MQMLYQHEFSNCEW-NUJZUDFISA-N	558.860	5.899	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1cccc(C)c1C	409269211	HDEVNVCLOHPEED-FYJGNVAPSA-N	537.538	6.284	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)ccc1OC	409312783	MMAJOLXBXITPBW-UHBFCERESA-N	540.016	5.236	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)ccc1OCc1ccccc1	409317809	VZRCWUSNYHHLBT-QJOVZPHJSA-N	672.519	7.384	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1OC	409332662	HOZRJXDYEARQGA-NUJZUDFISA-N	594.275	6.491	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2c(Cl)cccc2Cl)c(C)c1	409369103	CJWYBCUZQUEJCS-MWLSYYOVSA-N	532.493	5.302	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409371744	MDEDAZBASQXIOY-KQWNVCNZSA-N	522.630	7.259	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)ccc1OCc1ccccc1	409376557	ZHRQWLPNMQYOCT-GXBUFBABSA-N	583.641	5.463	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3F)c(OC)c2)ccc1OCc1ccccc1	409381081	DVCKUOFYJRZAPH-AEUUOICLSA-N	650.501	6.356	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)ccc1OCc1ccccc1	409382399	LPWYNZGMPMBLJR-GXBUFBABSA-N	583.641	5.463	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccccc1C#N	409386282	PEXAGNONXVJSOG-IPPBACCNSA-N	579.432	6.185	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409394821	GJYLBMMFMMRJIL-UHFFFAOYSA-N	775.635	8.667	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409396640	ZOZXLDHYYQGJJW-UHFFFAOYSA-N	786.804	7.772	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397182	HEQSDIGOKBCGMY-UHFFFAOYSA-N	523.545	5.818	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397488	KJNRRKXUUXWEBY-UHFFFAOYSA-N	606.000	7.807	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(C)=O	409398156	RGLNXKCYUCGKPE-UHFFFAOYSA-N	590.636	5.818	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1O[C@H](C)C(=O)O	409403230	MEPNWOWWHAGQIR-GYDRZMFUSA-N	610.461	5.653	50	40	KKGB	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)[C@@H](CCl)C(O)(O)C(=O)CCCCCCCCCCCCCCC	888085231	RKODLAQXWBZYNH-SSTSLOEUSA-N	611.392	10.955	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1	1529548308	CEGRXJNNEAHHCB-LAXCASJBSA-N	672.001	5.567	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)cc1	1773198	QTKNNTAZYNWFNO-CJLVFECKSA-N	557.027	7.010	50	40	KKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CCCC2	2332367	KUCXONNOPRBYPJ-NTCAYCPXSA-N	500.498	6.238	50	40	KKGB	
CCOP(=S)(OCC)Oc1nc(SCc2ccccc2Cl)nc(-c2ccc(Cl)cc2)n1	2381167	RUTIFBKECURHCR-UHFFFAOYSA-N	516.412	6.814	50	40	KKGB	
CCCCn1c2ccccc2n2c(C(=O)N/N=C3\C(=O)Nc4ccc(Br)cc43)c(-c3ccccc3)nc12	2590048	OIHOLWSVBNMEDS-UHFFFAOYSA-N	555.436	5.605	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N/N=C\c1ccc([N+](=O)[O-])o1	4467951	MKDMUIWBUDOVSK-UHBFCERESA-N	526.936	6.253	50	40	KKGB	
O=C(CSc1cccc2ccccc12)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	8874948	VBHBHELGVRYEAF-KCSSXMTESA-N	511.046	7.468	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccc2ccccc2c1	16136969	IBGZKEDXIHDXFH-FDAWAROLSA-N	513.022	5.825	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1C1N(Cc2ccccc2N(C)C)CCCN1Cc1ccccc1N(C)C	19326358	OZGDDXDTUNXUAH-UHFFFAOYSA-N	582.664	6.818	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1	98001459	OGPGJWJKBWSODZ-WBXKITNXSA-N	647.529	5.303	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2Br)c1	98001545	DBNJXPRZZFLWLA-XKJRVUDJSA-N	652.137	5.382	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@@H]1c1cccc(C(F)(F)F)c1	98008082	UAKYCIZZXJONAD-HSZRJFAPSA-N	539.355	6.668	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	98048677	WLPVRPTUYBGVNO-NDEPHWFRSA-N	576.505	6.881	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	100336458	JLUDZBPJIJSMCY-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C1C=C(c2ccccc2)SS1	100500927	CHKMHMZIMUVTPW-UHFFFAOYSA-N	522.476	6.495	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1	100853802	PLHWGSMMYGHIHE-MBTHVWNTSA-N	530.868	6.527	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCc3ccccc3C1)[C@@H]2Br	100869369	DILNGCNUERXJDL-CCKFTAQKSA-N	520.103	5.257	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(CC)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	101305426	BVUXLCZDRDEJPO-MHZLTWQESA-N	558.103	6.671	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccccc1O	101745815	CRKJHOJCLMWEMB-RGXNXFOYSA-N	536.429	7.043	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	102809946	QIFVBGTVSISYRT-MHZLTWQESA-N	591.506	6.603	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1	103789541	SPCBVBJQZCPOND-BGABXYSRSA-N	613.559	7.830	50	40	KKGB	
CC(=O)N[C@H](c1nnc(Nc2ccccc2)s1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	105015190	MEXZBCCSVHIHDL-MHZLTWQESA-O	509.595	5.411	50	40	KKGB	
Cc1c(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	408528357	HKQFAZWTMFOIMF-IIHBXENTSA-N	533.381	6.886	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	408537448	FGUHTAGUUDFIRU-BUVRLJJBSA-N	637.452	8.180	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	408538429	MSTULDYUIGRHRM-MZFJOGFUSA-N	607.574	8.048	50	40	KKGB	
COc1cc(COc2ccccc2/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccccc1	408540989	WZZSZDXAIRRJGO-HQDYHJHZSA-N	534.534	6.636	50	40	KKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)c1C	408608381	HHENNIASZSTONE-UVHMKAGCSA-N	514.807	5.387	50	40	KKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccc(C)cc3)c2-c2ccccc2)cc1	408732848	UEJAGZJXBVVTKG-VQNDASPWSA-N	513.597	6.670	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408743993	IZAPENKPIVXKPT-WQRHYEAKSA-N	593.248	7.121	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)c1	408747073	YZIDBSCFEHBCLK-ODLFYWEKSA-N	525.374	6.120	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)NCc1ccccc1	408747858	UUOFTRUHJRRGLB-UWVJOHFNSA-N	570.237	5.743	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2Br)cc1	408748718	GUSLXECBLUHUDE-BRJLIKDPSA-N	542.238	5.596	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccccc1C#N	408751270	YRFMIZFSVWLDLR-HNSNBQBZSA-N	525.992	5.185	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1Cl	408771854	KPCQWHROUJMKOY-JCMHNJIXSA-N	522.432	5.837	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@@H]3C#N)c2C)ccc1I	408773973	NKOURRQJSGEVGI-NPIMPNKYSA-N	546.416	5.215	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl	408775943	KPQSUOWXHCAQRS-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1	408780579	FKMNEYPXFOMSPH-CHHVJCJISA-N	698.080	5.511	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408782448	HCEBXRBKRNHIIH-CHHVJCJISA-N	606.629	5.560	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc2ccccc2c1	408787656	DFIHKBWNZSACTB-YDZHTSKRSA-N	561.863	7.779	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(I)c2)c1C	408789380	PKDSOYZCAPWRJI-UDWIEESQSA-N	542.804	6.686	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)cc1	408791639	ABIREZOCPZREDY-RGVLZGJSSA-N	587.255	6.795	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1I	408798578	VZRDETWTZKGZGH-MHWRWJLKSA-N	628.204	5.183	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1	408798815	XFIICDPSCCQXLT-RCCKNPSSSA-N	505.368	5.750	50	40	KKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408803226	MRJIPHHVFLFTPK-IAUZIZESSA-N	626.276	6.077	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)O	408809601	HFLAJMSNUSCSAQ-UHBFCERESA-N	562.420	5.451	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408830731	PVQNGUDIQBMVLU-FSJBWODESA-N	642.366	9.403	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)cc1Cl	408836063	PRDSLRIQBNRERA-OMCISZLKSA-N	673.718	7.402	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(I)cc1	408838431	FHKGJSJJLXJDLQ-KULFSUQXSA-N	834.905	9.158	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408856045	ANFMSTWKJBIUAO-FQYGQZBOSA-N	649.169	5.259	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	408860761	DNNNMYKZGLFIMU-DPWJMMOYSA-N	683.330	6.279	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cc(I)c(O)c(I)c1	408862399	FQNKRSHCBWAWLZ-TXNBCWFRSA-N	705.099	5.113	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(C)(=O)=O	408862866	MXFBPCRBBPBHNH-VVEOGCPPSA-N	659.386	5.577	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	408867561	KNSJOPRMMAOXPM-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1cccc2ccccc12	408876781	NSGYTGZCLJHRFK-PCLIKHOPSA-N	555.472	7.688	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408878183	XOZZGVHPNMBZSY-XZCXJWDVSA-N	603.127	7.814	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408878942	DFRCXFWJOCESCY-XODNFHPESA-N	521.784	6.037	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1cccc2ccccc12	408881983	MQZRKVMUSCIHPP-AFUMVMLFSA-N	648.497	6.663	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1OCc1ccccc1Cl	408886218	FJPXWEFVXDGSBR-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2Cl)cc1	408887007	KWPRETQSUAJMNF-GZTJUZNOSA-N	507.886	5.030	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1cccc(C)c1	408921963	CWDDSAHLUXOAIV-MZJWZYIUSA-N	593.259	6.104	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	408924169	LSZUAYRDKOCCBF-XMHGGMMESA-N	507.804	7.925	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(I)cc1	408924187	LXPIZRXUABFMDU-LDADJPATSA-N	559.201	6.178	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OCc1ccccc1C	408924748	ODGREIFBRRIMSB-VXLYETTFSA-N	607.275	7.430	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408925355	RLMUFYZVCFKLHH-XDHOZWIPSA-N	518.356	7.179	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408953175	LQWGVINRSYVQRD-AMUZBVFISA-N	750.430	6.072	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408956881	YZVZCMNSUFNTPF-BKUYFWCQSA-N	579.292	6.538	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Br)cc1	408962304	HADKERSWJLNSOS-XKJRVUDJSA-N	586.202	6.582	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408963578	CJJGPDXUOKBVMZ-DPNNOFEESA-N	536.632	6.980	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c2ccccc2)cc1	408978773	JZJQPNIUDQXMDP-AYRFUNSJSA-N	546.605	5.032	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2	408997335	FODSMNCTSITANG-ANGWUCRQSA-N	615.708	5.261	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC	409005440	IQDRPJYMVFYIBH-VFLNYLIXSA-N	600.908	5.014	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409006050	LKWIGBXOAVWBAU-BADBGYPBSA-N	644.083	7.194	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409006966	LTYFTMSIFMWWJW-IPHFVPNQSA-N	551.687	5.873	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1cccc2ccccc12	409014989	QTYGHUNFACTPMD-IBBHUPRXSA-N	655.286	7.305	50	40	KKGB	
N#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409016167	UUUMQKHGMDKGIR-NUGSKGIGSA-N	603.008	5.229	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cc2cc(Cl)ccc2o1	409017930	KCFGIYUKERMSTP-FXMZOFOKSA-N	508.188	7.389	50	40	KKGB	
CCCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc23)c2cc(C)ccc21	409030212	CMPCHVBYADWWQJ-OHUYPAJKSA-N	509.053	7.609	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1Cl	409030857	FLZVJWCAKGCCFQ-IZYHBKOJSA-N	696.372	8.555	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1cccc(Cl)c1	409037616	XZEPYFPERBAWFH-ALQBTCKLSA-N	583.113	7.949	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1cccc(C)c1	409048930	PLMMTQZJMIQURG-FZKWRIDDSA-N	627.482	7.166	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409087298	STLSZXWKUBLEMJ-OVCLIPMQSA-N	646.204	6.153	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409092208	TVLDLSHCGNDLMJ-OQLLNIDSSA-N	632.221	6.765	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)OCO3	409106925	PDUSHULPYIBIGV-QFIPXVFZSA-N	501.753	6.173	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409110284	AXEHQKZHNODPLM-ALQBTCKLSA-N	654.141	5.299	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)cc1	409159471	UJVIJSDZAIGUSO-MHDJOFBISA-N	590.986	5.644	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1Cl	409218853	LLKXBENPFKGUPN-MUXKCCDJSA-N	508.317	6.038	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccco2)c1	409219354	LOAQYVBKEIIABU-UHFFFAOYSA-N	690.142	6.803	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)c1	409225531	QUTULPUXDAGYQN-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)n1	409235224	OFRUTMCBGUEPLD-KBKYJPHKSA-N	505.478	5.055	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1	409260221	MUAQWCWVJGBABI-XCHWQBBTSA-N	526.420	5.474	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409264242	OANPISSCALBUIQ-WSDLNYQXSA-N	609.464	6.097	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C	409270365	DSPGASVUCOBOQC-HAHDFKILSA-N	527.577	5.052	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)ccc1OCc1ccccc1	409310979	CZOALIBVUBTNQQ-KYHGBAKBSA-N	579.878	7.033	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409311819	IMCQUYRULHXMSG-PMACEKPBSA-N	603.311	5.809	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1OC	409313363	IRLXVNQSUWDWKU-NUJZUDFISA-N	592.259	6.267	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1OCC	409318543	WMLRMOJOTRJKPN-UHBFCERESA-N	529.420	6.308	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409321729	HGZDOJAKSOFUFJ-KYHGBAKBSA-N	712.453	6.650	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409322995	MHZYQFBOJCFQBT-NUJZUDFISA-N	546.407	5.191	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Cl)c2Cl)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409372096	LFJPWYUQGXFBJP-FTCYSYDXSA-N	587.356	6.567	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	409373774	UZWTZTOTBQXXBO-RWPZCVJISA-N	534.366	5.862	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1cccc(C)c1	409374366	NRIVVIFXSADRPO-MTJSOVHGSA-N	502.412	6.984	50	40	KKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)cc1OC	409378348	OKMLRDGXYVZMIK-OBSVYCRBSA-N	548.659	5.580	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(O)c1	409390533	DYJVSMUVUROLMQ-KBKYJPHKSA-N	524.198	5.813	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(I)cc1	409392425	MMVWXLSUQXAQJK-GRSHGNNSSA-N	533.768	7.126	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)[nH]c12	409394524	BNZKUSBCQPXQNQ-UHFFFAOYSA-N	646.925	7.560	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)cc1	409395842	SJCLWTSWAVXXSM-UHFFFAOYSA-N	628.479	6.606	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409396080	WDMIPODWTWZDHT-UHFFFAOYSA-N	650.451	7.998	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409396349	XWZZQCGLJFZQPC-UHFFFAOYSA-N	822.089	8.710	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4ccccc4C#N)c4ccccc34)o2)cc1	409400040	BCTUMCDRQBPTPR-CLHYIUPASA-N	567.649	6.905	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1O[C@@H](C)C(=O)O	409404685	QPRZMOAYQGVVBV-CZEFVEKGSA-N	657.461	5.495	50	40	KKGB	
COc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1[N+](=O)[O-]	409405712	UVHSZSWXEHKFSS-MUXKCCDJSA-N	522.945	5.600	50	40	KKGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)ccc1OC(C)=O	409410583	XZJGIQLIYQKSHQ-UHFFFAOYSA-N	578.537	5.007	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(OCC)c1	1529548134	AJHFLVLVKYIWMA-NZBLFOEUSA-N	763.054	5.807	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OC)c1	2359743	WRQYTIPSBUXESM-XDHOZWIPSA-N	525.026	6.587	50	40	KKGB	
O=C(Oc1ccccc1)c1ccccc1[C@H](Br)[C@@H](Br)c1ccccc1C(=O)Oc1ccccc1	4266322	KKBKVGYNEMGBDI-UIOOFZCWSA-N	580.272	7.697	50	40	KKGB	biogenic
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](OC(C)=O)[C@H](Br)[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C	4293077	JGVYFYLJHISGAE-RKQLCTRLSA-N	511.541	6.540	50	40	KKGB	
CC(C)C/C=N/NC(=O)COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1	9309901	VUMYMGSTZWLZML-FJEPWZHXSA-N	516.439	6.858	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(Cl)cc3Cl)n2-c2ccccc2)cc1	19849231	BAAGXCJXVXDCIX-VYYCAZPPSA-N	512.422	5.492	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@H]1c1ccco1	97950988	YNUYWKOENCCNIV-MHZLTWQESA-N	528.634	5.612	50	40	KKGB	
O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1cc2cc(Br)cc(I)c2o1	97960806	WTFBIYDIDAUSBG-FSJBWODESA-N	538.183	5.164	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	97962978	KAHSNLWHKCCVHM-CCVNUDIWSA-N	539.997	5.350	50	40	KKGB	
COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1OC	97980900	YQHNSXMUTQFWEM-KVAAJVFYSA-N	608.478	6.371	50	40	KKGB	
CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2cc(OC)ccc2OCc2cccc(Br)c2)cc1	98001571	MHROAILSNNUHAL-QNKGDIEWSA-N	597.550	7.305	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	100125752	SMTBZXQLEFIBDO-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccc(Cl)cc1	101273249	IRSRVZZRTJIWSD-MHZLTWQESA-N	530.049	6.290	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1ccco1	101305281	JVZXUBYPCQFPAQ-HSZRJFAPSA-N	554.455	6.355	50	40	KKGB	
CCCOc1ccc(/C=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	101363952	YTVGDQMPQPEOCU-LQNQUEJISA-N	546.718	5.666	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1	103755012	KSJKZPFWLVYAIA-MTJSOVHGSA-N	538.385	6.041	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103889681	VDVDFQBOZLRHPI-SXGWCWSVSA-N	567.185	6.862	50	40	KKGB	
O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1ccccc1Nc1ccc(Br)cc1	104115369	SEHUMQANFACIPE-QRQIAZFYSA-N	534.285	6.241	50	40	KKGB	
FP1(c2ccccc2)(c2ccccc2)Nc2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2O1	104196662	LLMCJXKNOFJWGM-UHFFFAOYSA-N	553.617	8.792	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	104402986	LCFVSXOHFJQYGG-IPPBACCNSA-N	566.279	6.896	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C	198484062	MILYVWHUDKCSIS-UZXRPXTDSA-N	924.727	18.718	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3)cc2OC)ccc1OCc1ccccc1	408539990	LLKOVTDUABVJPU-APTWKGOFSA-N	545.035	6.669	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551061	JHXNQEOFSWSXSJ-VCHYOVAHSA-N	546.248	7.236	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1	408568926	LMNJLFUGUBIHHX-CVKSISIWSA-N	501.098	6.499	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCc1cccc(F)c1	408581112	USIHXRJGODLUDA-GIJQJNRQSA-N	519.741	6.735	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	408583513	VHQDVTXQDATPDL-YBFXNURJSA-N	618.855	6.442	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1	408638640	CWHGSOABLLZLOD-NITZCXFCSA-N	535.855	5.652	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408643772	PYDLKHKETNDMDQ-KYBNSWPASA-N	631.148	5.544	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Cl)cc1	408656513	SSUSCBMGZRIHTQ-YUEHCAIXSA-N	663.577	5.665	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1	408710850	PTQRFYUMLAXOBE-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	408728465	MVCOENDOVAFXSD-FDAWAROLSA-N	552.483	6.461	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C	408735111	OCLKITWPNGYYCE-CJLVFECKSA-N	543.048	7.661	50	40	KKGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1	408739382	ZVTMGJRTTGJBCL-BABAGQBZSA-N	557.607	5.099	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	408744649	MJPNPNMDWBJGKC-ZDLGFXPLSA-N	605.124	7.407	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)c1	408745099	JSYXXDMTQGMSSE-NVMNQCDNSA-N	529.793	6.765	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408746084	XEFGSSSQVIZQMJ-ZDLGFXPLSA-N	531.823	7.179	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)ccc1I	408747306	LWWQWBLLKLBHPU-KVSWJAHQSA-N	669.111	6.039	50	40	KKGB	
COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I	408757351	YTHXOUKIJOJUGZ-WZUFQYTHSA-N	608.999	5.213	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1	408770757	CAPYWPRSIMRTNJ-WPWMEQJKSA-N	564.889	5.155	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c(C)c1	408793640	FXYAEZJONWPALP-VXLYETTFSA-N	632.252	6.703	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	408794556	JMUIRMGMRUNXKX-DEDYPNTBSA-N	584.264	6.513	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1	408798327	WCXDEKKFFZCDOU-RCCKNPSSSA-N	528.406	6.174	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccc(I)cc1	408798785	XFVZUMYWNYAGAZ-FYJGNVAPSA-N	631.308	7.139	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OCC	408803112	LHWQCAWLFSCJQQ-LDADJPATSA-N	548.377	5.201	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408825910	RZTCUJJRKOGGNY-MTJSOVHGSA-N	511.405	6.203	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cccc(Cl)c2C)cc1	408825938	BMVZSCFIIKSDET-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)c2cccc(C(F)(F)F)c2)cc1	408828692	ISZOXWPPOBHZFP-CCVNUDIWSA-N	554.388	5.122	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)c(OC)cc1Cl	408830127	NROPDWXEAVAKAJ-DJKKODMXSA-N	571.855	6.561	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408832032	PRYBTPLMHQEMCQ-OVVQPSECSA-N	579.483	8.850	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408845087	FDJCJJABYHIJEL-NUJZUDFISA-N	613.262	6.937	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408845091	YDLFHDGBLMUNLI-PPOKSSTKSA-N	605.116	5.645	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408846939	RXOIIKBJSDMWHA-ROPCREHHSA-N	722.917	7.369	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408848691	XUCSZEAKEXNMTC-OKCVXOCRSA-N	624.504	6.804	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccccc1C#N	408858333	RVBQGMWBBBMQFD-SGFZWYBVSA-N	580.688	7.404	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1	408861663	FEHHLXVZXZIMCA-ALQBTCKLSA-N	667.140	5.889	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)cc1	408862520	ZQMNCQMSLSDBSO-KVAAJVFYSA-N	603.066	6.420	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccccc1	408867423	KBLGHMXZQFWSNJ-PPOKSSTKSA-N	589.117	5.890	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408881736	OHQWRJSMBCNRCK-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1OC(=O)c1cccc2ccccc12	408888154	XJYBJVCTNBATHN-LQKURTRISA-N	550.352	5.436	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OC(=O)c1ccccc1	408889686	IYZRBWVJDXCXCZ-LICLKQGHSA-N	570.783	6.174	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408892160	BNILCFJDQIXLNK-KOEQRZSOSA-N	647.547	7.049	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408946480	AKPURQBUWMOCLS-XYGWBWBKSA-N	536.588	5.658	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc(C#N)cc2)c(OC)c1	408954337	NKMAEYRWINZKGE-DLVDTJDKSA-N	666.518	5.173	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c(OC)c1	408957442	ULWGTCBWGQIYCK-ZKHCCSIISA-N	688.579	5.489	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408969450	NPYFDFZPPVTUKV-UGEVBPATSA-N	698.239	6.728	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(C)n1-c1ccc(Cl)cc1	408978602	JILNUNKZRNEVSW-QUCVJYLXSA-N	525.049	5.308	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccccc1C#N	408981706	WEQWCFVEEZBMLA-LMUZBFEMSA-N	611.496	5.920	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	408996629	JLJCPEUVXWVAKX-ATZGPIRCSA-N	677.464	5.619	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408996666	MDMFAXAVPOBAQR-LGUSAWBASA-N	725.104	6.009	50	40	KKGB	
CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCC(=O)Nc2cc(C)c(C)cc2Br)c(OCC)c1	409004455	ACYRVAKGUNOCDA-MFOYZWKCSA-N	580.273	5.715	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c3ccccc32)c1	409012495	IKLJSXLHAFCYMJ-MQSPOVPVSA-N	641.599	7.258	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1cccc(C)c1	409017847	IAGTXWRRXXLXCU-QDTIIGTASA-N	574.802	6.351	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1	409027860	ULQZSUAWDJLBFZ-UZWMFBFFSA-N	562.091	5.827	50	40	KKGB	
C#CCOc1c(I)cc(I)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409039827	WXBWAHZRXOMPSE-MUFRIFMGSA-N	657.249	5.887	50	40	KKGB	
CCN(CC)c1ccc(/C=N\NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)c(OCc2ccc(I)cc2)c1	409063060	GHHRTRBRMVKCOG-UHIZKJEFSA-N	720.406	5.117	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409075921	VKGRMSKGZBAVMO-CAOOACKPSA-N	535.305	6.835	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCc1ccccc1	409087374	CHHPEXUWFWWKCJ-LZYBPNLTSA-N	513.293	5.825	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccc(Cl)cc1	409132034	OFVBFLQRNQKYMP-QHCPKHFHSA-N	513.775	5.614	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccc(F)cc1	409132321	ZWMOXJOIOFNBMP-QHCPKHFHSA-N	558.347	5.332	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	409184259	JVKUYTZVHGPKLZ-XJECJHNESA-N	648.059	6.450	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccccc1F	409187007	KSWPDBORGOQTMY-BRJLIKDPSA-N	506.169	5.694	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(C(=O)O)cc4)c(Br)c3)cc2c1	409189320	JFTLBCSEDNPOKA-DBFSUHOCSA-N	616.262	6.398	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)ccc1OC(=O)c1ccccc1	409223824	IPVCSDSLEBTBOZ-UHFFFAOYSA-N	537.572	5.329	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409230006	BHOUTSZEDRUBOY-UCQKPKSFSA-N	611.436	5.833	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409268147	QODBTPXGNLYZGR-VHFSBPNMSA-N	660.583	8.041	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCCC)cc1OCC	409311528	AFYRYHITLLVGLB-QFEZKATASA-N	542.268	5.952	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409313738	IVCNHRATRRHNNY-APTWKGOFSA-N	609.100	6.166	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)ccc1OCc1ccccc1	409314369	SLENILRJRUWFGO-CAQPMQTCSA-N	544.007	5.709	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC	409320058	BIHQPSGQXCWTBP-MNDYBZJGSA-N	651.885	5.532	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCc1ccc(Cl)cc1	409367673	DFBIPBHHDGMSKB-ZDLGFXPLSA-N	627.647	7.201	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Br)c2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409368022	QATZVGMSBXRZRY-DBFSUHOCSA-N	597.362	6.022	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(F)cc1	409371675	JURXDSXJYHQIQB-WQRHYEAKSA-N	517.313	6.611	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1F	409371718	LFYFKPBTQQFBJN-SXGWCWSVSA-N	505.156	7.133	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1cccc(C)c1	409384659	FBFGTZKAFCLOLO-CCVNUDIWSA-N	568.449	6.622	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c(O)c1	409392804	SASHRGCYMNCAKE-IPPBACCNSA-N	678.264	6.106	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)cc1	409394744	FIBMSHBQEATENK-UHFFFAOYSA-N	674.393	7.717	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1	409395439	NNZCDAPBVYMNSD-UHFFFAOYSA-N	620.862	7.382	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)c(-c3ccccc3Cl)c2c1	409396698	AFOMCLFEJVWTOY-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397094	GBQHXGXRJOVUBF-UHFFFAOYSA-N	706.207	9.203	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)c1	409398401	SUJATTRGWQZRDK-UHFFFAOYSA-N	503.558	6.135	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409398413	SWBWQTIBMSQPTF-UHFFFAOYSA-N	694.323	7.194	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)o2)cc1	409409859	RIJAVAARMUSHLP-OHUYPAJKSA-N	541.051	7.091	50	40	KKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1C	409410492	XNXFTQBUOXLDIV-HQDYHJHZSA-N	571.077	7.100	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	1529548166	ATQSXWBERLUKSF-WWWVXHCJSA-N	711.668	6.585	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1OCC	2109659	NHNOIUACPZZZKW-QNKGDIEWSA-N	509.650	7.367	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1	2353764	UUKLPOIKWDLYDA-CXUHLZMHSA-N	525.184	5.064	50	40	KKGB	
CCCc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2	2417053	MQUUEQDKBBLPAE-PMERELPUSA-N	522.008	5.397	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CCC3)ccc1OCc1ccccc1	3669861	WLKSVHUJTTVFOB-GDLZYMKVSA-N	576.722	6.670	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c1	4047906	MCIVEFGXIGFSSW-RCCKNPSSSA-N	514.423	6.705	50	40	KKGB	
C/C(=N\NC(=O)COc1c(Br)cc(C(C)(C)CC(C)(C)C)cc1Br)c1ccc(C)cc1	8442411	BBUNJQQMVKJVBG-OGLMXYFKSA-N	552.351	7.153	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(F)cc1	8812916	GJLATVXQTXORNY-MZJWZYIUSA-N	501.352	5.338	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1cccc(Br)c1	9064997	BHZUDBPPYMHBME-IMRQLAEWSA-N	520.456	5.638	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc(F)cc1	9315596	JZSKLNZQCZRTKZ-AJBULDERSA-N	515.658	6.312	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc(Br)c1OCc1ccccc1	28217842	IOSYLMQBISLIJJ-UBXTYJAUSA-N	513.457	5.809	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccccc2)cc1	58914978	FEQVRKHNWOZVOH-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1	98000153	XQMPEJJIHNHPOZ-ZOCIIQOWSA-N	552.101	5.488	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3nc4ccccc4s3)=C(C#N)[C@@H]2c2ccco2)cc1	98048608	HWEYMIOWMWOPQS-AREMUKBSSA-N	555.685	6.158	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccccc1	100055699	SRBCQKIAWWMBEM-RUMWWMSVSA-N	606.542	5.412	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F	100124380	YNPBPGLIRIWDNX-OCSSWDANSA-N	583.483	5.341	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(F)cc1	100326225	BAIQCVHMAKYAQZ-LUOAPIJWSA-N	526.189	6.247	50	40	KKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)NC3=C2C(=O)CCC3)o1	102160712	UIJSTLNWYZARTR-MHZLTWQESA-N	558.059	6.273	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	102808713	MIBZPRXPIQLZFY-AREMUKBSSA-N	533.028	6.186	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)/C(C#N)=C\c3ccc4c(c3)OCO4)c2)c(Br)c1	102929601	BEYCVZJVJMCEMT-NVNXTCNLSA-N	590.839	5.186	50	40	KKGB	
O=C(NCc1cccc(CNC(=O)NNc2ccc(Cl)c(Cl)c2)c1)NNc1ccc(Cl)c(Cl)c1	102985949	VKIUBTUIPIFLEM-UHFFFAOYSA-N	542.254	5.953	50	40	KKGB	
COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1ccccc1	103767297	ZPVPWVXWXJLOKG-UHFFFAOYSA-N	578.573	6.430	50	40	KKGB	
CCCCCCC(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C/C(=C\c1ccccc1)CCCCCC)=C/c1ccccc1	104166766	FOVDUZMLIRPKAK-RCRMBQFBSA-N	626.930	10.419	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CCSc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709499	AXXUXVRVGCOJCB-BTQJMXPFSA-N	562.135	7.206	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccccc1Cl	105300076	XWAUVWBLFMNBHP-ZDLGFXPLSA-N	582.907	7.048	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341953	ZJZVJUWNSHYVAW-JOCHJYFZSA-N	804.545	13.986	50	40	KKGB	
C=CCc1cccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3C)CCCN2Cc2ccc(N(CCCl)CCCl)cc2C)c1O	150373400	YVUGPLQJYPBQPX-UHFFFAOYSA-N	706.630	8.712	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1)S(=O)(=O)c1ccccc1	150383978	ZMYCBMSODZIRIJ-ODNPBWNPSA-N	652.987	8.375	50	40	KKGB	
BrCCSC1=C(SCCBr)SC(=C2SC(SCCBr)=C(SCCBr)S2)S1	150480104	ADQBMKWJNCJILC-UHFFFAOYSA-N	760.434	9.839	50	40	KKGB	
O=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1cc(C2CC2)nc2ccccc12	254877017	UBODIQBSDGAWCU-UHFFFAOYSA-N	500.396	6.218	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	408537495	FRHLPKHHYKBCEY-QHDYCIAZSA-N	605.204	9.109	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)ccc1OCc1ccccc1	408537647	GQNVMPHBHQUBSN-ZVHZXABRSA-N	591.466	8.235	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408540302	PTSKCFCEAKPEMS-GXBUFBABSA-N	603.513	7.168	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408541002	XDLDVPYSDLZYKK-CAQPMQTCSA-N	531.008	6.279	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c(C(=O)OCC)c1C	408546670	MDEOYDSKQQITEQ-YBFXNURJSA-N	620.938	7.668	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408568748	WPTITIZWADQVLN-FJEPWZHXSA-N	592.759	7.434	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1cccc(C)c1	408569027	MBSVFNOYEYKZCA-OKCVXOCRSA-N	601.588	6.743	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Br)cc1	408607157	CBJPRNAHRUFLTM-MZJWZYIUSA-N	530.806	5.169	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408650215	ZXALQDIBJDTJHM-QKIGPUQLSA-N	697.610	6.292	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OC)c1OCc1ccc(Cl)cc1	408676752	NDRSTUVLJYYZDA-ZCTHSVRISA-N	504.030	6.020	50	40	KKGB	
O=C(N/N=C\c1ccc(Br)cc1)c1ccc(-c2ccc(C(=O)N/N=C\c3ccc(Br)cc3)cc2)cc1	408721541	SHIVABCGGQSUBY-KUUUIRGPSA-N	604.302	6.406	50	40	KKGB	
CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)s1	408732134	SMEJUZNZZAVFRL-MZJWZYIUSA-N	534.469	5.636	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408751175	XJVCXPDKRMOMQZ-OJYCWLPVSA-N	738.363	7.014	50	40	KKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1	408781043	QOMYQBSKDFMNQU-NDENLUEZSA-N	570.281	7.123	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408791783	CJVLSJQBTAILSN-MFKUBSTISA-N	632.454	6.754	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1cccc2ccccc12	408792536	KOVAAGDDPJRZPM-FYJGNVAPSA-N	576.390	6.283	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408795054	KWMRTCJXMLNHJY-CAOOACKPSA-N	695.207	5.627	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c1C	408795183	KKPCNHOZHVEQBH-QGMBQPNBSA-N	703.145	7.944	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	408801142	UFGWXONMZCSJPY-OVCLIPMQSA-N	510.759	5.596	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(I)c2)cc1	408818806	QQSUFJDUPWAMGS-XKZIYDEJSA-N	538.385	5.411	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408819713	SMZUUXGKAPZAMV-OCKHKDLRSA-N	623.274	6.418	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1cccc(Cl)c1	408833019	RGQLMNDYWYRVEZ-PCLIKHOPSA-N	573.476	8.096	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408834331	VWTYVIKSZFFQIK-JRZNSJKLSA-N	753.730	6.670	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2cccc(Cl)c2C)cc1	408837337	COXLIJXRQCDKEC-ZKZIKLGPSA-N	633.170	5.559	50	40	KKGB	
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408837941	AVNSOATUEVWUKI-KVSWJAHQSA-N	531.852	7.286	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)c2cc(Cl)cc(Cl)c2)cc1	408839549	ALHVYHKIJHSEBM-LGJNPRDNSA-N	555.281	5.410	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408844379	NYSTWPUIFVTDKZ-YSYOEVFLSA-N	666.030	9.564	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccccc5F)c(I)c4)cc3)cs2)cc1	408844824	PMXLCWHOIYZATK-QNVXDBMFSA-N	741.424	8.711	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408848774	TYSHYEFQKYWLEI-KKMKTNMSSA-N	518.422	6.340	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408853049	KVTCTNOYVKRIPK-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(C)(=O)=O	408856311	BVDGBZMPFLOFST-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(Br)cc1OCc1ccc(Br)cc1	408859554	YDHNUFZYIGITSR-VTNSRFBWSA-N	625.361	7.361	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2cc(C)cc(C)c2)cc1	408860678	BNDFFLCZJDXIME-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	408860767	DQMFUQGEDUQWFL-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1	408865372	CFXLWRTZUOPLOR-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(C)(=O)=O	408867694	JRDPWQWOROUALR-AMVVHIIESA-N	643.387	5.822	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408874988	GZHGTZTYHLXAFT-JVWAILMASA-N	628.510	7.632	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(Br)cc2)cc1	408876940	RESRBCDQUPJNTE-KPGMTVGESA-N	648.410	6.817	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1Br	408878659	CPMQUELPPVUTRU-CIAFOILYSA-N	584.308	7.352	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1Br	408881678	NZLIQLVZBXWUQZ-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408886142	IJFYFYLCNFKHLK-BIZUNTBRSA-N	568.427	6.385	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccc(F)cc1	408889780	JCOCYGALYYBDSM-WKULSOCRSA-N	507.359	6.093	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(C)cc2)c(I)c1	408893177	CXULTUALXJMWJJ-GIJQJNRQSA-N	695.251	6.246	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1OCc1ccccc1C	408895141	MDPPHAZRDCFWOA-RWPZCVJISA-N	511.416	5.816	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2c[nH]c3ccc(OCc4ccccc4)cc23)cc(C(C)(C)C)c1O	408899995	SDUVWFBWBFHFST-JEPNHJGPSA-N	525.693	7.130	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)cc2OC)cc1	408900424	VRJDPFFUPCHRRB-GZTJUZNOSA-N	633.236	5.836	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2Br)cc1	408924157	LQJPJWBIXVVXBH-LQKURTRISA-N	566.433	5.092	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc(F)c1	408953244	PIMSAAJAGDDDOM-UUYOSTAYSA-N	517.988	6.204	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408973006	XEHGGIHEXFWLPL-FYKGKLKKSA-N	703.848	7.633	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=N/NC(=O)[C@H](Cc5cnc[nH]5)NC(=O)OCc5ccccc5)cc4[N+](=O)[O-])sc3c2)cc1	408992836	TTWIHZBEWGIYDF-HRYIHZIASA-N	734.820	6.627	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2I)cc1	408993448	DATXPIRMAKEQEI-YPXUMCKCSA-N	695.078	6.244	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1	409028144	HVXRMMKSPURWLO-FABQOPTDSA-N	646.980	6.970	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccccc1	409049994	ZFTZXLJFAUOYMX-DEDYPNTBSA-N	534.410	5.719	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409071692	HWXVZKWRARRGCH-LFIBNONCSA-N	577.840	5.520	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409085511	SIKXGKCFFHYMGP-RIYZIHGNSA-N	537.282	6.272	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)C2=C1CCCC2=O	409122832	BVUOSFVEHVGAPG-JOCHJYFZSA-N	580.253	5.907	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1	409122854	CLOUZNHCESOPOW-MWBNBJEGSA-N	701.585	6.542	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)[C@@H](O)c1ccccc1	409144159	XMVYWHJTJRLBKE-KCCLJGFZSA-N	577.640	5.226	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409162006	BTIMROQCUUHXIF-IURWMYGYSA-N	591.384	5.191	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4ccc(Br)cc4)cc3Br)cc2c1	409186534	DJVXVAQZGOAUHU-MNDYBZJGSA-N	616.306	7.098	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	409211169	MPZDLGPPULLVPP-LUOAPIJWSA-N	558.712	7.231	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	409220663	CZZRWIZNUMICHW-AYBNGVQBSA-N	505.412	6.130	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409222270	BLUQAFNGGTWJOF-MHWRWJLKSA-N	575.246	6.328	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2I)cc1	409222698	DBKNBRPCJUFIRL-JVMBGAFUSA-N	522.386	5.963	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccc(C)cc1	409226643	VVHAFKPYVXOQRJ-UHFFFAOYSA-N	556.018	6.283	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)cc1C	409248371	FVAMWHBREHXMSQ-KULFSUQXSA-N	689.035	8.368	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Br)c2)cc1	409261775	BAQQWUFFVJSFTM-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409266527	ZLLGENHNJMNMBY-RGVLZGJSSA-N	663.434	6.889	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)ccc1OCc1ccccc1	409268938	ZXESDSBDFMLXHV-RODHXAHZSA-N	729.853	7.933	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409309967	OPYQBPSMFQLKOD-FGZHOGPDSA-N	562.475	5.119	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OC	409311716	HEYIZPAJEHZZNS-ACXHZZMFSA-N	665.912	5.922	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1OCC	409332012	FOJLCPQIBUEAPQ-UHBFCERESA-N	573.871	6.418	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409337219	XIBPZQDCYKYSKC-NHCUHLMSSA-N	627.344	5.573	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1	409372809	QUNVAMFEMFZAJS-LGJNPRDNSA-N	500.780	5.404	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409394656	DGYJJAWPAKXIOG-UHFFFAOYSA-N	754.184	9.669	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)[nH]c12	409394774	FSJOGGARDQYCBO-UHFFFAOYSA-N	758.692	9.321	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)cc(OC)c1OC	409394910	HHSPYGZCBUHCOQ-UHFFFAOYSA-N	671.548	6.672	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397480	KIENKQIRBYYWLR-UHFFFAOYSA-N	627.882	7.114	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3ccccc3F)o2)cc1	409402803	LBZCAANNOLROHP-AEUUOICLSA-N	572.036	7.402	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc4c(cc3Br)OCO4)o2)cc1	409410031	SQGSYJVVMSINMH-QDTIIGTASA-N	536.382	5.521	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	1529544921	STQCMXOKAIOSTF-NKFQWXKNSA-N	587.485	5.138	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C	1529547825	PNNFKRNTHREQBX-KDVQARRSSA-N	595.725	5.132	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(C)cc2)c(I)c1	1529548162	YIUZVOZOMYUCSN-MWKDUONYSA-N	824.479	5.668	50	40	KKGB	
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CO)C[C](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	1560406704	NFGNSXUUWLLLLO-FPUHXXDTSA-N	574.031	9.978	50	40	KKGB	
COc1ccc(-n2c(NNC(=O)c3ccccc3Br)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1	1774065	PSUVERLBWKBOTB-UHFFFAOYSA-N	585.502	6.186	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C)ccc1OCc1ccc(Cl)c(Cl)c1	1900382	LNKSQYYJHHYXQO-IPPBACCNSA-N	556.475	5.619	50	40	KKGB	
CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C(F)(F)F)C3=C(CCCC3=O)N2)c1	2309531	KECPTWVVBBPCFR-DEOSSOPVSA-N	525.552	5.709	50	40	KKGB	
COc1ccc(OCc2cccc(Br)c2)c(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1	3167370	MYIYANJELQTWIR-NKZWWHGNSA-N	517.807	5.608	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	3350932	RZNOUJVZRGPNED-CXUHLZMHSA-N	597.899	6.949	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)ccc1OCc1ccc(F)cc1	8410803	OYCKHRUPRQFLTI-HSZRJFAPSA-N	502.571	5.700	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C(C)C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	30750266	DCQRODRJPQMBHP-MZFJOGFUSA-N	525.722	6.906	50	40	KKGB	
CCCCCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccc4ccccc4c3)c3ccccc32)cc1	46085094	QVRFAHOCZFIZPR-NMSHJFGGSA-N	521.617	5.855	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc3ccccc3c2)cc1	59222087	VKYRMJCFDKDBND-JVWAILMASA-N	523.408	5.442	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	59646136	VWNBIRAZVMOXAB-RUMWWMSVSA-N	573.671	5.019	50	40	KKGB	
CCOC(=O)c1ccc(/N=C(O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2)cc1	97968673	MSAVHHMZKKJNAI-GOHCDNDPSA-N	566.466	6.885	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CNc1cc(Br)c(Br)cc1Br	100036766	RAQYGIJDPIYDQF-FSJBWODESA-N	532.074	5.511	50	40	KKGB	
COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC	100747428	JRHMZEIHKHSVDO-XDJHFCHBSA-N	532.021	6.697	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)c1C	100800235	AHHWGCPEQZMMSY-HKBQPEDESA-N	549.696	6.683	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1	102947865	ZPKQCBRNAWEESN-YVLHZVERSA-N	543.573	5.385	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103888935	FBXXUCFWJPIGJD-WTKPLQERSA-N	537.966	5.612	50	40	KKGB	
CCCCCCCC[C@@H](Br)[C@H](Br)CCCCCCCC(=O)NCCCOC	104109898	YYADWEWIARORIR-NHCUHLMSSA-N	513.399	7.147	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc([N+](=O)[O-])cc5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	112255082	NOJPCJSJQHLRLX-WKGLYUOSSA-N	605.050	5.452	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1c(Cl)cccc1Cl	137775150	GHLSAWCTAIYBRR-KKMKTNMSSA-N	516.406	5.965	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)[C@@H](c3ccc(F)cc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)[C@H]2c1ccc(F)cc1	150410777	OSBNGANCHOLRCB-LOYHVIPDSA-N	654.808	8.177	50	40	KKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(Br)c4o3)c2C)c1	209516369	MLNKLFJELWJRMC-XODNFHPESA-N	587.268	6.306	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)cc1	408535282	YHXWPISLRVJZBQ-KLPHOBTLSA-N	617.793	6.113	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccccc1	408538737	PZGFRKRMJOIDHC-BOABNOFISA-N	675.210	9.138	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	408540044	MEYGZDLSDOQLCS-LJUMEUDFSA-N	545.979	6.179	50	40	KKGB	
CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1	408540722	VLDITVSPOYTBLO-GTWSWNCMSA-N	509.046	7.041	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c(C(=O)OCC)c1C	408546355	HWPWQERCHCFLDA-RGVLZGJSSA-N	707.970	6.974	50	40	KKGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	408551532	DREBCCRNJUPXBA-QGOAFFKASA-N	540.048	6.291	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1	408552997	UCGJCAQIAOTKEK-LPEPFOFCSA-N	575.279	7.164	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408641405	KKOOLMJTZPJQBI-DUUJBTRBSA-N	722.038	7.163	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1	408650662	MOVQGVHJOQQCHG-ZGSAEMGKSA-N	728.821	5.886	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408664015	YNRWGJKDMPQHBK-YQTLKADXSA-N	531.823	5.038	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1	408740664	CZDSLQKHALUWTB-RQXXSLPSSA-N	613.559	8.745	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(I)c2)c1	408745879	WBYHQWZPMVNKTG-ODLFYWEKSA-N	512.322	5.863	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(O)(c1ccccc1)c1ccccc1	408747395	NFXMJVMMBQGBKI-MNBJERMJSA-N	505.401	5.959	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408767361	ZXAZXJVWPYTWON-MFOYZWKCSA-N	532.221	6.889	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1ccc(Cl)cc1	408780165	UIZXZAVEMRDJCD-YSURURNPSA-N	525.628	5.742	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccccc1C#N	408792606	BESXMQKBLQNUTN-VXLYETTFSA-N	504.340	5.160	50	40	KKGB	
N#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408792772	CDZKTZFNBXKORN-VZUCSPMQSA-N	624.003	5.651	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1	408792952	MQMIRXTUNIOWSV-UDWIEESQSA-N	553.356	5.941	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1ccc(Br)cc1	408794974	KUFVCJBFONBAKY-FYJGNVAPSA-N	584.308	7.297	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1c(C)ccc2ccccc12	408810997	VFWRRTLIVAGTQW-WSDLNYQXSA-N	575.890	8.006	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408837985	BCQNHMJVORFBKT-FJEPWZHXSA-N	588.985	6.291	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408838781	IIOIMNLYMLZQMM-AABVJFSESA-N	711.819	8.315	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408839136	NRGGGBAOSHKRBR-KULFSUQXSA-N	711.421	8.605	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408839733	VYGWWUDRSOYGEU-LALXJTNGSA-N	691.651	9.519	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccccc5F)c(Br)c4)cc3)cs2)cc1	408840326	AOPWUWFIWDBKAQ-QNVXDBMFSA-N	694.424	8.869	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccccc1C#N	408841345	IHTNGZGPVUCIGV-AABVJFSESA-N	579.604	6.448	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(C5CCCCC5)c4C)cc3)cs2)cc1	408846553	SWHFGGSMHQBPST-FDAWAROLSA-N	511.695	7.550	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)c(OC)c1	408846989	SCHIJMFETNZEDM-CCVNUDIWSA-N	507.999	5.897	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408848589	RDWOTJPTMRPHJQ-RHKOWXKBSA-N	600.675	7.441	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(Br)cc1OCc1ccccc1	408855829	FSWBGIROXZGRQS-FDAWAROLSA-N	546.465	6.598	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Cc1ccccc1Cl	408872618	HNSSEYPXBZWQKH-RQZCQDPDSA-N	505.323	7.157	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c(OC)c1	408876129	NHPYWEBBNMDCDF-FYJGNVAPSA-N	530.422	5.693	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cc(C)cc(C)c2)cc1	408876540	LZILSLDIQKCFLV-BUVRLJJBSA-N	517.423	6.379	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408878783	BDIFKYOPEZTYRL-XZYGTATASA-N	640.589	6.934	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OC(=O)c1cccc2ccccc12	408888439	VLXINHRKJGHJQM-KCSSXMTESA-N	553.412	6.747	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	408895722	NYMPPQDJYLWNRZ-MHWRWJLKSA-N	576.812	5.633	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc(I)c1	408924737	OABIKORLBXARFQ-WOJGMQOQSA-N	559.201	6.178	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3cccc(Br)c3)cc2Br)c1	408924924	QRGMXDCIZBROEQ-RPPGKUMJSA-N	581.102	6.625	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(C)cc1	408948346	FPNDGTVUFOMHQY-OYKKKHCWSA-N	605.476	6.325	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccccc2F)c(OC)c1	408948702	DDVVNWYGQIEICK-VOSMKULASA-N	842.400	5.343	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1	408969225	JLXNEBUPIOKQNL-OJIMSSLDSA-N	654.978	6.880	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCCOCCOc1ccccc1	408971829	MBJFTSWCRJRZEZ-QNGOZBTKSA-N	539.382	5.904	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408982024	XIISTELTVATHEF-FCFFNXBQSA-N	522.561	5.185	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OC(C)C	409010928	DSSCWPJCRAYGJJ-PGGKNCGUSA-N	636.078	6.122	50	40	KKGB	
Cc1cc(C)c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)c1	409012012	IKBFZJRKVQMWEU-LSFURLLWSA-N	511.157	5.489	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1	409022903	HUFZHDGUXWJAQA-YNFMAFFXSA-N	681.243	5.691	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1	409025746	ZZXAMMOGBODTII-UZWMFBFFSA-N	562.091	5.827	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1	409031780	BCOJDWRCDSOLQT-HQDYHJHZSA-N	600.900	7.669	50	40	KKGB	
COc1c(I)cc(I)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409031967	IFEJKRDOEUNARY-MZJWZYIUSA-N	633.227	5.884	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409035691	QBGVMZBOKQWJGT-WKULSOCRSA-N	569.912	7.522	50	40	KKGB	
N#C/C(=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1	409081006	OYARRVCZAPOFCX-DHDCSXOGSA-N	521.373	6.970	50	40	KKGB	
Cc1ccc(COc2c(Br)cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2Br)cc1	409138499	CTBMESMZMSMHJC-OAQYLSRUSA-N	544.243	5.914	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc5ccccc5c4)c(OCC)c3)cc2c1	409185459	ZEBOVLQIHFRKRQ-OHUYPAJKSA-N	543.019	7.380	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409185829	QXPIYEIKMZHWOM-MYBYBSHWSA-N	685.633	8.104	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409223641	HKFMARVEYANQPS-XDHOZWIPSA-N	568.855	6.373	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2Br)cc1	409231355	CGLYVGMSKZADJH-UCQKPKSFSA-N	568.309	6.755	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1ccc(C)cc1	409241346	RMOWRNQRSNZOBX-UVHMKAGCSA-N	543.487	5.384	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1ccccc1Cl	409266231	PZELILGTUAHGRF-DEEARYFJSA-N	520.029	5.383	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OCC	409318283	YARQBCFLCLJIKN-UHBFCERESA-N	632.451	5.528	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)ccc1OC	409321673	UPBFZGVFTQHSRM-AQLQTECXSA-N	626.382	6.738	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)ccc1OC	409325242	YDZVKPNEAVXXQV-MUXKCCDJSA-N	503.382	5.752	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc2c(c1)OCO2	409360554	QEQIBKZWNCZMJQ-NSKAYECMSA-N	611.084	6.046	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409364970	WTSPYKLESFQYCX-LUOAPIJWSA-N	641.114	6.024	50	40	KKGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1cccc(Oc2ccccc2)c1)Cc1ccccc1	409367956	JUULUBDHRLRQIS-GTWSWNCMSA-N	543.645	5.137	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409371758	NGXUVCLBHVJZOU-WQRHYEAKSA-N	544.320	6.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1ccc(I)cc1	409373184	OEXDXUMXJNLJBE-WCMJOSRZSA-N	614.867	6.848	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc5ccccc45)c(I)c3)[nH]c2c1	409392567	QVXIBAJIULCJPT-BKUYFWCQSA-N	557.391	6.972	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)Nc1ccccc1F	409401346	SPZGIRVOWVNQPU-AEVGBRMKSA-N	689.538	6.958	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4cccc5ccccc45)c4ccccc34)o2)cc1	409403416	MRBATPWNYRSQOT-PQKVGRGHSA-N	592.699	8.186	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1O	409405719	UWYFCWTYBIWDKR-MBTHVWNTSA-N	518.526	5.043	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	1529547240	JTVGAWYKZMSSSF-MKEMXLLOSA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	1529547904	RJISOQDUJGMQOL-XINRNAFCSA-N	661.995	6.111	50	40	KKGB	
Cc1cc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Br)cc1	647899	IYFHUPYDJWDOHX-ZEQKJWHPSA-N	513.439	6.239	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cn1)C(n1cccc1)=C(C#N)[C@@H]2c1ccsc1	1432883	SICNYGCMODWBND-QFIPXVFZSA-N	505.441	6.346	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1	2774764	GIEIPUBWNBDUDN-JJIBRWJFSA-N	526.570	5.330	50	40	KKGB	
COc1cc2c(cc1Br)C(=O)C(Br)(Br)CC[C@@H]2Br	5639710	GZRBFYVBIHGNSE-QMMMGPOBSA-N	505.826	5.356	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3ccc4ccccc4c3[C@@H]2[C@H]1Cl	6475321	NCEGBIOURCENGN-ULDNNVLMSA-N	505.014	7.926	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	8455977	XJGMHHMZXQZIHG-JOCHJYFZSA-N	694.786	8.754	50	40	KKGB	
COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1	8837236	LQKOAJTWTLVDGK-JFLMPSFJSA-N	512.035	5.133	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(N3CCN(c4ccccc4)CC3)nc12	9075486	UYKIMFADZUEGGX-DYTRJAOYSA-N	504.619	5.003	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1OC(=O)c1cccc2ccccc12	12590204	VPSFJGBIMYBRJA-CPNJWEJPSA-N	509.474	5.227	50	40	KKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)c2ccc(C)cc2)NC(C)=C1C(=O)Nc1ccccc1	19939557	GCALHTWVJNSOJR-GDLZYMKVSA-N	523.658	6.345	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1Br	20760646	RRZZEAOSXATMDT-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1I	98001713	BHUYJKZGENGWSG-VPUKRXIYSA-N	719.555	5.569	50	40	KKGB	
C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1	98043777	WDHISYSQEJEPFX-ZPOUEADKSA-N	605.562	6.049	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	98045835	UXGJTFGLLFCAEN-RSXURMKNSA-N	641.495	5.332	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1	100244375	WNQOUSVJVAIRBG-ZDLGFXPLSA-N	576.274	7.288	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(=O)c1ccc(OC)cc1	102933102	BFMVBCQKQLWTMU-LICLKQGHSA-N	600.809	6.183	50	40	KKGB	
CCOc1ccc(/N=N\c2ccc3oc(=O)c(/C(C)=N/NC(=O)CC(=O)Nc4cccc(OC)c4)cc3c2)cc1	104292101	ZKILCDDOIQBBKU-SOOLOMMASA-N	541.564	5.485	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccccc1Cl	104580226	WRWMFELAWVEFGR-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)c1C	105049578	LNERMKPINOXQHX-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)c(C(=O)OCC)c1C	109304210	QTLUGFPOFZXARN-LFIBNONCSA-N	552.561	5.306	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Cl)cc1	112264629	WPOKZSHUHQPWBE-CCVNUDIWSA-N	562.835	5.842	50	40	KKGB	
CCCCC[C@@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)CCCCC(=O)O	150387349	FORAJHFPTGBBRG-ZBURPKILSA-N	757.860	8.573	50	40	KKGB	
COc1cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	408537387	DJDRXVLBUGRHSX-KOEQRZSOSA-N	558.556	7.418	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccccc1	408539187	FJELCXUKBFYCQQ-UCMJSZAQSA-N	573.487	6.699	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)c(C(=O)OCC)c1C	408547118	RGYBNTPTQWORCR-HMAPJEAMSA-N	576.671	5.631	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC	408579355	GCTDVEWHIXIMDM-VXLYETTFSA-N	545.348	6.099	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCc1cccc2ccccc12	408599239	QNITWOYZJOUOFV-FYJGNVAPSA-N	542.458	7.723	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N2C(=N1)SC(C#N)=C2N	408607721	ULYVMANOQMPTFC-HXUWFJFHSA-N	502.518	5.694	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408677616	SURRDLUDGVSIJT-BIZUNTBRSA-N	514.025	6.445	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408686597	SBSRBSFILSJEOA-YEYGNOCGSA-N	646.119	5.237	50	40	KKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCc1ccc(Br)cc1	408691837	SZGRFJOUZFWSNH-GRSHGNNSSA-N	600.254	6.598	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)NCc1ccccc1	408747718	RYBASYYQUPKTOB-GRSHGNNSSA-N	652.124	6.619	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408799553	ZVGIDPJGNMUKLK-LFVJCYFKSA-N	584.426	7.061	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408806918	BOICCBCFIRQMGD-JMIUGGIZSA-N	637.301	6.808	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccc2c(c1)OCO2	408811423	LIZGXVFSUWJEEM-FBHDLOMBSA-N	612.420	5.230	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)cc1	408816457	TZEZLLUUJISYBT-GRSHGNNSSA-N	637.699	6.518	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OCc3c(C)ccc4ccccc34)cc2)cc1	408829602	OOVZTXHGZYASDF-VUTHCHCSSA-N	573.092	8.814	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2cccc(C)c2)cc1	408829884	KSTXBFYZCAZRHR-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCc1ccc(C)c(C)c1	408836437	RCQQYEILFWIVOE-UFFVCSGVSA-N	555.458	7.151	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408838924	KHKNZXRLTFLMNK-WCMJOSRZSA-N	621.831	6.246	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccccc2)cc1	408839612	BGFHDCBIZMQUBC-RUMWWMSVSA-N	541.673	5.735	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	408840872	CPKSLKOOWDEITE-FABQOPTDSA-N	646.494	6.019	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(C(=O)O)cc5)c(Br)c4)cc3)cs2)cc1	408845119	OPNNEFHKDDUUIL-KVAAJVFYSA-N	641.547	7.666	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	408847891	VSMNQSDDUNOELC-RVDKCFQWSA-N	658.327	8.247	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408858677	KJUUDCDYNUXLFZ-FJEPWZHXSA-N	641.371	5.983	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408861543	BRGNEXKKOWZLMO-RWPZCVJISA-N	573.414	5.507	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1	408864532	XAQAVHCEDVFQDX-VUTHCHCSSA-N	532.493	6.049	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/C(=O)NC(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O	408872446	NKULSTCWUPLGAM-PLVJGECJSA-N	625.660	5.745	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1	408874386	AVWXRLKREBBYON-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)cc1	408875723	KHYMOMBURGJTDA-OCSSWDANSA-N	572.470	5.998	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2ccc(Cl)c(Cl)c2)c1	408877772	YKYBLPUGTSWLMO-LICLKQGHSA-N	521.322	7.145	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(Br)c1	408880298	JBOUNLIKSJMVTB-GXDHUFHOSA-N	545.187	6.542	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1	408882762	NWONCPYBUCSACL-YBFXNURJSA-N	500.904	6.882	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408887438	QQMDSJRSLMNPCU-LICLKQGHSA-N	667.865	5.873	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12	408896350	YBBVTZKAEVQILC-WKULSOCRSA-N	560.429	6.205	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OCc1ccccc1C#N	408905546	ZBFIJXYCYWRCFU-UHBFCERESA-N	533.426	6.101	50	40	KKGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(C)(=O)=O)cc1	408921409	HEAIKUWMTBWNOV-IKQNMSGQSA-N	545.661	5.122	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc(I)cc2)cc1Br	408954375	ZCQSMNPPPGXXPC-GDLZYMKVSA-N	793.478	5.526	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)c(OC)c1	408957061	SDULKHRMTFKULX-JRUUSQMTSA-N	756.594	5.306	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)c(F)c1	408963674	ABGNAUMLDNPWRU-XKJRVUDJSA-N	556.189	5.437	50	40	KKGB	
CCCCOc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1	408964138	PHDNBZUUXFMEEY-FYPTXYOFSA-N	556.490	5.817	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1cccc(C)c1	408981389	AUNGZWLCERLGJK-NHDPSOOVSA-N	539.857	7.243	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408984659	SJDJSUOXEKJJLW-LSCVHKIXSA-N	641.720	8.083	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	408989336	HKEYEPQMGGHOQF-QGOAFFKASA-N	646.537	8.460	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2Br)c1	408989672	UZBTWTIOZAZZOD-GRSHGNNSSA-N	574.700	7.607	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2	408997337	FODSMNCTSITANG-WSHOCQNKSA-N	615.708	5.261	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	409013087	JZBKWINPHZWWCA-DPOBKKJDSA-N	550.870	6.355	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409044751	OYKPGEIQGDZUFS-ZSNJKBEMSA-N	589.120	8.703	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1	409048590	SKNXJQKTESSCPP-CPNJWEJPSA-N	520.383	5.329	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409049390	WMIULOUDJCWIMC-FYJGNVAPSA-N	595.437	5.870	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409065156	HXZRETUNYMHQFU-RCCKNPSSSA-N	567.019	5.177	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081369	KMSXMAKUYDZLOW-RQZCQDPDSA-N	623.325	6.242	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c2ccc(F)cc2)cc1OC	409136639	SIOJFPXXIXIUDF-FABQOPTDSA-N	642.105	5.430	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409140875	GLVOKGWMILNXCI-XMMPIXPASA-N	560.909	6.608	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1	409171079	YQRQBVRRHVVCII-IBBHUPRXSA-N	636.330	6.041	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1	409175677	UMXIZUARBRLXFH-IURWMYGYSA-N	591.384	5.191	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1ccc(Cl)cc1	409190888	ASOGNHCULSNLMS-KBKYJPHKSA-N	648.520	6.813	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(/C=N\NC(=O)c2cccc3ccccc23)cccc1[N+](=O)[O-]	409223119	GZVXIDLYUQBDFS-QUSRAMFLSA-N	510.462	5.039	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Cl)cc2)cc1	409224241	KKSDNXZFJXRQTN-MBTHVWNTSA-N	522.945	5.216	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC	409226230	PYYFUDBGGCAQMM-MJXLXAJKSA-N	667.458	6.163	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409239892	NXLDETNTHQZJCB-HMAPJEAMSA-N	588.329	7.390	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1	409262942	JQFYCYCDRHTJIR-MTJSOVHGSA-N	547.995	5.315	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)c1	409266282	QFPKFTXLVSJCHV-QMRORBIVSA-N	719.459	8.169	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	409361336	CKBRZVOLNPYOBO-DICXZTSXSA-N	530.260	6.046	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1OC	409362403	JHSNATRMRAOTGO-QDTIIGTASA-N	596.703	6.154	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(Cl)c1	409367940	OSGDCBGHNANQNS-PPDIBHTLSA-N	589.726	5.751	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1	409369017	XPQMELLUEUXHFT-UNOMPAQXSA-N	501.751	6.596	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccccc1F	409372312	VIODUBUILNESPL-PXNMLYILSA-N	532.163	6.902	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(OC)c1	409373548	QJNQPHOGIBESLD-FJEPWZHXSA-N	645.291	6.567	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	409382746	OKFKZKDKCLLXOE-XJECJHNESA-N	646.556	7.651	50	40	KKGB	
O=C(Cn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21)Nc1ccc(Cl)cc1	409387199	UQTXJXRUAYZWRW-XODNFHPESA-N	531.981	5.820	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)cc1	409395353	MOMICLPGJLGHBY-UHFFFAOYSA-N	615.427	6.431	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)cc1	409396643	ZPXJEHINYTTWJN-UHFFFAOYSA-N	749.765	9.024	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397753	NQUSJNPFUXLRRK-UHFFFAOYSA-N	567.045	6.546	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1cccc(F)c1	409404691	QPYQKWZYABFZCX-KOKCXWAISA-N	660.540	7.909	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1cccc(F)c1	409405721	UXMOIXSQGVISPS-KOKCXWAISA-N	707.540	7.751	50	40	KKGB	
CCOP(=O)(CCCCCCCCCCCCSSCCCCCCCCCCCCP(=O)(OCC)OCC)OCC	627274940	KNDJFMCRMBWJSD-UHFFFAOYSA-N	674.972	12.702	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(Br)c1	1529548442	GKMQFOAERILADU-NZDCISMZSA-N	788.515	5.852	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc([N+](=O)[O-])cc1	1531386409	HOIUDOKXMHKLQH-MWBNBJEGSA-N	673.520	7.288	50	40	KKGB	
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[C@@H](CCl)C(O)(O)C(=O)CCCCCCCCCCCCCCC	1570001176	CCQKIQWPENGQHD-YMVXKZTRSA-N	609.376	10.731	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)nnc2-c2ccc(Cl)cc2)cc1	1896962	QTNAQYHHUUILHZ-IPPBACCNSA-N	560.894	6.536	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(=O)OC(C)(C)C)=C(C)N2)cc1	2299503	MYTDBAIRDVBFPV-XMMPIXPASA-N	526.058	5.758	50	40	KKGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	2311223	DQYHJZSIHZNYMC-PMERELPUSA-N	549.696	6.683	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)cc2)cc1	3112713	QXGWGNVUKXBNOH-QNKGDIEWSA-N	555.700	6.043	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2C1=O	4958406	WIFZFSJKUFDVOP-YTTGMZPUSA-N	614.679	6.890	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccccc2)cc1	15229962	GEXGEPKOPPIBTD-ONWFOFBKSA-N	527.646	5.134	50	40	KKGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	26571008	YOWVKMYWJFGGIX-KCSSXMTESA-N	516.428	7.221	50	40	KKGB	
COc1cc(/C=C(C#N)\C(O)=N\c2nnc(C(F)(F)F)s2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F	38140947	HQFNFOOGGLSBBT-MLPAPPSSSA-N	596.431	7.377	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	97951869	IZBLWTGHOVRDMA-XMMPIXPASA-N	522.989	5.779	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	97962929	PWRWZXDHKYVXBI-LFIBNONCSA-N	516.178	6.521	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1cccc(NC(=O)C(F)(F)F)c1	97965760	WOYVCJURIPSEHO-HBHSWBPBSA-N	545.348	6.863	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(-c2ccccc2)cc1	97980791	DHJHAMCJPJEMHE-CEUNXORHSA-N	548.462	6.071	50	40	KKGB	
Cc1nn(CCC#N)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2	97984140	XIBPLWSKASJMOA-YPUGOISESA-N	575.613	6.852	50	40	KKGB	
CSc1ccc([C@H]2C(C#N)=C(N)N(c3nnc(SCc4ccccc4Cl)s3)C3=C2C(=O)CC(C)(C)C3)cc1	98006242	PWNOEIWTORCMRJ-QHCPKHFHSA-N	580.204	7.147	50	40	KKGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)cc1	100239046	ROHLEKYOZOMKDV-ISAGNRBTSA-N	558.416	5.233	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(C)cc2)cc1	100242898	YYXZDSLCJSYOFJ-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)N=C3CC(C)(C)CC(O)=C32)cc1	102598356	HYYNMOPRWMEXAK-XMMPIXPASA-N	508.043	6.626	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)NCc1ccccc1	103882318	GZZXDXCEIDNUTJ-OCKHKDLRSA-N	544.218	6.153	50	40	KKGB	
C[C@@]12CC[C@H](OC(=O)/C=C\c3ccccc3N(CCCl)CCCl)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12	104275817	XZWKOCGAAATECU-XMVLAPPDSA-N	575.621	6.807	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(/N=C\C=C/c1ccccc1)c1nnc(-c2ccccc2)c(-c2ccccc2)n1	104289992	CMZPQMALKOQRAD-FNBDGWRZSA-N	571.553	6.368	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(I)c1OCc1ccccc1Cl	112246887	KWOOJRAIYHWDQN-UVHMKAGCSA-N	549.796	5.268	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	150385633	VSYIHUDAXICQDG-AABVJFSESA-N	623.484	6.765	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795416	OTLNGCYILONYNP-GJZGRUSLSA-N	800.235	11.331	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)Nc1ccccc1	217039513	GNAZVUYQDPRSMB-OGLMXYFKSA-N	523.014	5.480	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	245226896	QZVGKUKNARCBHD-KRYQAXIGSA-N	554.710	6.720	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408548095	DIGRXWMCTCLTFE-YVNNLAQVSA-N	539.256	8.561	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccccc1	408569509	OIHXADFZNQFHOI-OGLMXYFKSA-N	508.665	5.672	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1c(F)cccc1Cl)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	408603912	HKOJGVJTLCKZKD-AWEZNQCLSA-N	506.336	5.347	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Br)cc1	408610561	OEIWJIKQYJYHRK-LQKURTRISA-N	524.415	5.078	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408612884	ZENISIPYCBCUOQ-QGZVFWFLSA-N	500.382	5.077	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408642508	MZUQTHGBUKJTTC-HXUWFJFHSA-N	595.222	6.089	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1)NNC(=O)c1ccc(Br)cc1	408667815	RISSYZGFGLWFKM-UHFFFAOYSA-N	604.457	5.508	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408689822	ZFDSGYXHIKYPKS-BDXSIMOUSA-N	634.108	5.381	50	40	KKGB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2-c2ccccc2)cc1	408729309	AWPRJUGZUPUEIM-OJWMHLEFSA-N	672.832	11.008	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1	408744616	MHDZAPNWDVLSGN-UNOMPAQXSA-N	539.329	5.633	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408767500	LNCFCBGZIIECKL-ZSOIEALJSA-N	522.266	7.258	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1OC	408778837	MFTLXYRISAPRKL-LICLKQGHSA-N	518.351	5.197	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1F	408789703	RJIKDBUFJJAKRD-CIAFOILYSA-N	570.402	6.571	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I	408791978	FZXVBDOKQWGVJK-LZYBPNLTSA-N	583.220	5.158	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408796046	CVEMOTPBELPBQB-FYJGNVAPSA-N	547.836	7.389	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1	408796999	ZSCVUYSYKAPAKQ-DEDYPNTBSA-N	521.367	5.369	50	40	KKGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408825578	KISASPONUARICP-BVMLUPFRSA-N	640.947	5.807	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408827442	HJQMHVVBHPVCLF-XZYGTATASA-N	640.640	5.077	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	408839675	BUGNSSIYYJZTGA-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1ccco1	408840088	XMPOSXGEXVUCBH-OCSSWDANSA-N	576.403	5.676	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2Br)c1	408840964	DYJCUBNHUWAPEA-HIWRWHBISA-N	603.464	7.248	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5ccc(I)cc5)c(Cl)c4)cc3)cs2)cc1	408842906	KLECLUPMDZVVFC-QNVXDBMFSA-N	713.428	9.116	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	408849185	YFNQVJKCAWSHQP-STZFKDTASA-N	513.428	6.744	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(F)cc1	408857949	QPNCPAIOIMMURA-KVSWJAHQSA-N	540.216	6.637	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408882884	ONALIQTUSJLATQ-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OCc1c(Cl)cccc1Cl	408888084	WPPSTTRJCQKVKF-LICLKQGHSA-N	512.349	6.343	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408895835	OGSAFSFACXXXOT-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Br	408904748	OALCGEVBMNDDDR-YVNNLAQVSA-N	544.041	5.450	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408940095	JDIAXXRTSCEBMJ-FDVSRXAVSA-N	597.409	5.526	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c(OC)c1	408948334	CSSWXOHDRUDKSA-QNRLOOANSA-N	644.128	5.380	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2c(Cl)cc(/C=N/NC(=O)c3ccncc3)cc2Cl)cc1	408971776	LBTFGFHXKPVHMD-ZCTHSVRISA-N	530.452	6.569	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	408984369	QERHSBQSNRWLBA-GRSHGNNSSA-N	560.275	7.588	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(I)c1OCc1ccc(Br)cc1	409000805	YHTOCHFJGFRTNN-MLCSCPQYSA-N	752.444	6.592	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1	409004586	XQUXHQSLQOKAJX-KCSSXMTESA-N	570.443	6.301	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409012640	RACRIABGYMNZCH-OOEWDAAOSA-N	801.882	8.975	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	409025518	WKBKDOXGXBJTKN-FABQOPTDSA-N	646.980	6.970	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccccc1C#N	409031056	GMJPTDUJKLLBDA-XZYGTATASA-N	638.465	6.730	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc(I)cc1	409034516	HJBXLDQYEAFVSX-HQDYHJHZSA-N	647.900	7.511	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1	409039769	DKRFWEQWGFRFIF-SRZZPIQSSA-N	540.255	6.322	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409082960	ULAQEAHGFROKPQ-IURWMYGYSA-N	626.322	6.755	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409119786	UGMWLOTVLSJQKD-DPNNOFEESA-N	641.146	5.128	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl	409127338	CKDAUXNUNACNCT-FABQOPTDSA-N	626.562	6.543	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1cccc(Cl)c1	409134031	VJYFRHHJDJYTKD-HSZRJFAPSA-N	542.861	5.810	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)ccc1OCc1cccc(Cl)c1	409185792	QDZGIAZGUUZEJA-ZXTCRCEHSA-N	702.660	8.439	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(I)cc1	409210483	JCJGUVMCCXTUAS-ODLFYWEKSA-N	652.226	6.846	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409224258	JNHQIDJKTNPFRV-MHKQQOOOSA-N	598.011	5.712	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	409224786	MUAGJWXROVVBFT-DZUVLVLDSA-N	721.382	6.363	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1cccc(C(=O)O)c1	409241056	WTUJKHFGWRDJGE-IWIPYMOSSA-N	610.448	5.623	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(-c4ccc(C)cc4Br)o3)oc12	409243312	XISUWRBYXSAXFJ-OPEKNORGSA-N	532.188	6.299	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409254539	ZMXGRXDELLKNBG-BKUYFWCQSA-N	578.463	6.036	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)CC2=O)cc1	409259151	WVZGNFODEKTFDC-CISRBEIWSA-N	536.028	5.220	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Cl	409260610	STFDRZICMCPVLY-JAIQZWGSSA-N	552.856	6.591	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(O)cc1	409263982	IXSPCAVFDKVHDM-OQLLNIDSSA-N	605.670	6.134	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)ccc1OCc1ccccc1	409264264	OETQGTPPMPIPLD-KMUKQRDJSA-N	586.088	6.716	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl	409271294	UJAGCSXLDSCKNB-MFOYZWKCSA-N	514.796	6.518	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1OC	409313452	OTBOJIJNDZGDAD-QDTIIGTASA-N	507.801	6.397	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OCC	409314318	FRDFJFWDXOMMJS-LJUMEUDFSA-N	620.459	6.359	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)ccc1OCc1ccccc1	409317949	SUZDPELCTQIBRH-KMUKQRDJSA-N	621.503	7.308	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)ccc1OCc1ccccc1	409318297	USIRMHHKGNVYTJ-DLCNMLRHSA-N	717.252	8.295	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1OC	409335427	WUUHVAYMEKJLID-ACXHZZMFSA-N	523.416	6.897	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409337383	YDHJBGJGMADBMF-OHUYPAJKSA-N	574.033	5.718	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1OCC	409337583	ZIXUWJWEIOCQSF-MNDYBZJGSA-N	580.306	7.286	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	409363855	ODDZJCCQSVDDFK-MUXKCCDJSA-N	520.254	6.590	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409369144	FCGWFNGCLSEQBP-KVSWJAHQSA-N	648.122	7.102	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	409381756	VYPUGVOHKVLUAH-SFQUDFHCSA-N	524.346	5.160	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1cccc(F)c1	409394061	VCCGRQWBOZLXHF-JJFYIABZSA-N	631.226	7.831	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1OCC	409394520	BMWFQMVEAZNGNT-UHFFFAOYSA-N	723.393	8.280	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)c1	409396260	XJJMCMJQTYUWSB-UHFFFAOYSA-N	715.320	8.370	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409397543	LBEYDNYOPXCEPE-UHFFFAOYSA-N	688.736	8.383	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398684	VEQMJMGYKXIRDE-UHFFFAOYSA-N	578.581	6.134	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409399170	YDOUIUBLNYDVLE-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409399285	YYDDJBFIICBQJS-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(Br)cc1Br	409402971	LNFGAAOJHCOJPI-KOKCXWAISA-N	721.446	8.533	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409403384	MNHTVRYMAITHLK-CPDSRJINSA-N	625.432	5.253	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccccc3)o2)cc1	409406616	XGRNKKWGSHFRLV-HQDYHJHZSA-N	643.494	7.280	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1745885	GKKMLWGCBMSACC-OCSSWDANSA-N	534.085	6.136	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1755916	ISBSJFFRCJQMCY-OCSSWDANSA-N	534.085	6.136	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)c(Cl)c1	2085040	HSOWRLPCHBUKFE-KIBLKLHPSA-N	535.236	5.477	50	40	KKGB	
Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O	2090583	MHUFIIFMKGFAPL-CLYVBNDRSA-N	545.426	6.909	50	40	KKGB	
O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1ccc(Cl)cc1	2096809	UTDZJUWHYIUIJL-KBVAKVRCSA-N	527.053	5.928	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	2670822	QTTFTGSFYGUCGV-XNTDXEJSSA-N	514.821	7.500	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc(C(C)(C)C)c1O	2777074	RSJJVSLIFQZDDJ-HPNXWYHWSA-N	536.716	7.802	50	40	KKGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	3083340	PZJIFJALBIOMCA-YSURURNPSA-N	587.062	5.772	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cc1OC	3332489	PVKDBNCMFVYEPC-RGEXLXHISA-N	501.539	6.247	50	40	KKGB	
Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6244743	PTDRKHUVHOXYEB-XTXJMTPLSA-N	564.878	8.157	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccccc1C#N	8812917	NOYBMRNJKSZRTR-RWPZCVJISA-N	508.372	5.071	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCN(c5ccccc5)CC4)cc3)c2C)c(C)c1	28217194	OOPAFTQYTHDPFU-PPOKSSTKSA-N	519.693	5.797	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	33612228	ANATUZMOZIDENJ-QQXSKIMKSA-N	506.975	5.128	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(Br)cc2)cc1	59856480	GKPIHRYTMGXXTD-NDZAJKAJSA-N	578.488	5.617	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(C#N)\C(O)=N\c3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)cc1	97968651	ZCEPYPUQTGYJBU-HEQFHQOESA-N	566.466	6.885	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)OC(N)=C(C#N)[C@H]1c1ccccc1Br	98001306	MFTBNKQPPKYORC-AREMUKBSSA-N	633.593	6.740	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	98048512	UBAQJSOEDAHXNG-XMMPIXPASA-N	640.993	7.677	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	98048588	KGWJJAMDOUSENZ-DEOSSOPVSA-N	595.628	6.615	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc(Br)c1OC(=O)c1ccc(OC)cc1	100135463	KPDMDEFSSJTYLI-WOJGMQOQSA-N	596.390	5.538	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1	100233137	CTSULOXICYGHKM-OKCVXOCRSA-N	533.968	6.465	50	40	KKGB	
COc1ccc(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1OCc1ccccc1	100560435	LXRPLOHFAATXLI-IWIPYMOSSA-N	542.616	7.721	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc(-c2ccccc2)cc1	100853087	VHLIENLAGAAEHZ-WPWMEQJKSA-N	525.124	6.783	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)N(c1ccccc1)c1ccccc1)=C(C#N)[C@H]2c1ccc(Cl)cc1	102704826	WKIJICKKNNKFHM-GDLZYMKVSA-N	554.115	7.503	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)NC2CCCCC2)N1	102809818	XCYKSXDPZLSRAG-SANMLTNESA-N	539.076	5.996	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/C[C@@H](C)/N=C/c1ccc(N(CCCl)CCCl)cc1C	104077272	KWDFAEPQSXAGLR-FORFAFSDSA-N	558.425	6.798	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)Cc1ccc(N(CCCl)CCCl)cc1	118934884	BXXZIBGWNLYILD-AVWBUSPOSA-N	546.579	6.957	50	40	KKGB	
COC(=O)C1=C(C(=O)OC)C(C)(C)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=C[C@@H]1O[C@@H](C)c1ccccc1	195796025	NKNDDTLCCIYPFN-HVNZXBJASA-N	612.839	6.318	50	40	KKGB	
COc1cc(COc2ccc(/C=N\NC(=O)c3ccccc3C(F)(F)F)cc2)ccc1OCc1ccccc1	408539950	KVQHYRLZWXCLPU-HQDYHJHZSA-N	534.534	6.636	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408541089	DQTBUKJOQUCCRJ-GRSHGNNSSA-N	511.361	6.215	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408544436	TUWHRKYYQABCFY-UNOMPAQXSA-N	504.373	6.549	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1cccc2ccccc12	408548288	FTUUAJYLCVMAFP-JFLMPSFJSA-N	520.426	8.407	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408552903	LMUKESLUNYLRGE-MNDYBZJGSA-N	577.306	6.880	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(F)cc1	408569700	PNFLGJAUDVVHAA-IPPBACCNSA-N	638.524	6.026	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)c3ccc(Cl)cc3)cc2Br)c1	408579911	LIQMFSDZHNVEPM-VCHYOVAHSA-N	560.673	7.255	50	40	KKGB	
O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408729616	BPDPSLCHBBSLNF-ZSBPYGRISA-N	541.654	8.882	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCc1ccccc1	408747936	VXOGAOCAKQXBHJ-GRSHGNNSSA-N	605.124	6.776	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2C)ccc1I	408775698	RMPHLNFLWRFSSV-BKUYFWCQSA-N	509.391	6.170	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(I)cc1	408785170	ZEESQQLRPYCLPB-YZSQISJMSA-N	626.314	5.098	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	408788211	JDOAGNNUZSKSJC-SRZZPIQSSA-N	521.831	8.233	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1	408789303	ISVCUFBUOOGOTO-VCHYOVAHSA-N	563.222	7.031	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408793669	PWNJJDIORWRZSJ-LICLKQGHSA-N	580.693	7.933	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408793802	GPOAMTVUXJNGKS-LICLKQGHSA-N	543.292	5.463	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(C)c(C)c1	408802880	ISPGLQUYUWCKOB-SRZZPIQSSA-N	539.857	7.161	50	40	KKGB	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408823246	DMQYHSYOKWUZSM-UNOMPAQXSA-N	580.921	6.310	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408828524	HJZQFCQICFFBGF-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408839214	OVZRTJCXZANQDX-KULFSUQXSA-N	740.905	9.474	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)cc3)cs2)cc1	408841897	HCCLDNNVDBLYKL-KBVAKVRCSA-N	550.644	6.942	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1	408844605	DTNHIMZKKJIXID-ICUTVXMZSA-N	564.085	7.848	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408848364	VZDWTEQVVXODFI-IRWBXMRWSA-N	768.454	9.329	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)cc1	408854445	FYFCOGGGIWNFEI-QJOMJCCJSA-N	546.048	6.178	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408855203	DFZNIADALBRPOD-ZMFRSBBQSA-N	524.327	5.455	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408856129	JCVSRSHXYKMHEX-KVSWJAHQSA-N	536.253	6.481	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1Br	408862602	KREZHQGZYGUIRT-MZJWZYIUSA-N	584.323	5.168	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408868344	PRHFLFFAINFCLL-IZYHBKOJSA-N	675.085	5.731	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1	408870598	WFJNXPDGIANHFD-VVEOGCPPSA-N	618.859	5.784	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2cc(C)cc(C)c2)cc1	408872645	ICBZGRLNUWTINU-HPNXWYHWSA-N	591.733	6.690	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408886282	JOYQOCHUXRFROM-OQLLNIDSSA-N	516.724	6.320	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408888124	SPRQEDYIJZENEW-YBFXNURJSA-N	570.827	6.843	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408889842	JUADLHDQQBHNHJ-LFIBNONCSA-N	547.814	5.424	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccc(Cl)cc1	408892037	XPTHOPMRYNHBBG-LICLKQGHSA-N	541.785	5.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408895412	MSSNVPAAYCYOBV-RIYZIHGNSA-N	622.215	7.309	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc(C)cc1	408904381	IOLVORPFNZMDCK-WKIKZPBSSA-N	538.354	5.763	50	40	KKGB	
COc1cc(/C=N/NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1ccccc1Cl	408905317	XDBSDKVTACYALM-KKMKTNMSSA-N	581.692	6.917	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1	408923402	IITTWJHAQGRWEK-GZTJUZNOSA-N	530.389	5.265	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1	408934767	CXMGIZPGGNTRHK-QJOVZPHJSA-N	594.067	7.156	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408948305	RDJKLDMWSPYCAR-DBFSUHOCSA-N	570.827	5.947	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1ccc(Br)cc1	408948610	CYQBUNLXADGFTQ-VSUOXLLBSA-N	626.510	6.569	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1	408948850	PWRVJDSIXAYYEA-MHZLTWQESA-N	844.897	6.013	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408969177	IPDCJVDJIDXTLE-WMOVZUESSA-N	703.848	7.633	50	40	KKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408970112	AVBONCGVGYHLAC-BVDIATKJSA-N	537.447	5.428	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/C=C/c1ccccc1	408972409	SYNJJRWOLRKNIN-MROFYVBUSA-N	510.421	5.304	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)ccc1O	409005303	HMKGTGWWYXWRJV-XODNFHPESA-N	570.882	5.092	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	409013537	KQEHIJVHWZZZDE-JAKYGNQBSA-N	600.543	6.338	50	40	KKGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409016971	UPGPGVNUYHIGAC-IVWKQIGUSA-N	571.209	5.750	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccc(Br)cc1	409052510	JZFHZFNETBQMIJ-XODNFHPESA-N	580.704	6.915	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1Cl	409127299	CUKNRFDKAAOIRH-MHZLTWQESA-N	570.517	6.354	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1Cl	409130314	LHGNGUFCVPUUKQ-IZYHBKOJSA-N	688.561	6.227	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	409153602	MGXJDSWUIHTIMQ-WCMJOSRZSA-N	607.332	6.993	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1cccc(C)c1	409215967	CPQGHAKVIDCDRF-CCVNUDIWSA-N	547.902	6.631	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)cc1	409224389	JUFWDTOMBRFRIL-UHFFFAOYSA-N	715.782	7.118	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1cccc(Cl)c1	409316676	ZIMUDYKIRCUBNK-GXBUFBABSA-N	559.062	7.059	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)ccc1OCc1ccccc1	409322276	ISDLCHXYMBEHIL-DLCNMLRHSA-N	583.899	7.967	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC	409331948	FGZNQMGMWKXBMY-MWLSYYOVSA-N	539.426	5.682	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCCOc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409335803	YJGXASJWAQZDHI-WOJBJXKFSA-N	555.867	5.595	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	409360208	DHMRPGRPBBWGQH-DHRITJCHSA-N	502.206	5.863	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409361233	BHSGKMOIVQYZBT-XDHOZWIPSA-N	507.949	5.749	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(I)c1OCc1ccc(Cl)cc1Cl	409367844	MLTNDBHXCYODIR-RQZCQDPDSA-N	571.242	6.105	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)c(C)c1	409370801	FDINXHZPWNZJTR-VQNDASPWSA-N	569.727	5.575	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1ccc(Br)cc1	409371912	BPLSWMWLZCHRRU-HNSNBQBZSA-N	573.487	7.081	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccc(Br)cc1	409374671	WFYRBJIJCYJVPM-ZDLGFXPLSA-N	553.254	7.048	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc4ccccc4c3)[nH]c2c1	409391278	IVVCUQGHVSNDTB-XKZIYDEJSA-N	510.391	7.130	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)c1	409394602	CRHMCTIXEWGCBJ-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409394738	FGTCLMVSIWEQRU-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)cc1OCC	409395650	QGARUTLBQRMTFW-UHFFFAOYSA-N	774.293	9.447	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)cc1	409396032	VOQKRIXPTXESDC-UHFFFAOYSA-N	695.795	8.313	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(ccc5ccccc54)c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409396964	DKHLADXPDPNZJG-UHFFFAOYSA-N	662.098	7.567	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4Cl)c(I)c3)o2)cc1	409402629	KILPOLMKTJULKO-RODHXAHZSA-N	805.838	8.472	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3cccc(Cl)c3)cc2)sc2c1CCCC2	1785614	QSHGQUCXYJQYCB-NZEOBHLKSA-N	554.068	5.627	50	40	KKGB	
N#C/C(=C/Nc1ccc(Cl)c(Cl)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	2060093	CFVXXVJOOWBKJB-XFXZXTDPSA-N	519.207	6.962	50	40	KKGB	
Cc1ccc(C)c(-c2cc(C(=O)N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c3ccccc3n2)c1	2109395	BPMOIQZNYRYADH-ALQBTCKLSA-N	507.678	7.583	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	2330896	CGVYTGAQEVVDFD-DXTZOESMSA-N	522.457	5.779	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc(Br)c1O	3090268	RORIPILVMMKNME-WYMPLXKRSA-N	506.194	5.162	50	40	KKGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3O)cc2)c1	3275193	XRHLMXUHJPPEEB-XODNFHPESA-N	560.286	6.692	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccccc1Cl	4196272	VAIRUZMNVKALOE-KCSSXMTESA-N	579.878	6.076	50	40	KKGB	
O=[S@@]1c2ccc(Cl)cc2C[C@@H](SS[C@H]2Cc3cc(Cl)ccc3[S@](=O)c3ccccc32)c2ccccc21	5834068	HDJWIAKCZPDXOF-ZHCLAHQESA-N	587.640	8.603	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Br)cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136353	QWYTWCUOTIWUPQ-PDDXABJKSA-N	590.883	7.313	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136355	WSVGRSLQYIDBPC-RYSJVIQISA-N	580.877	7.857	50	40	KKGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc12)c1nc2ccccc2[nH]1	9187436	WXVWOGQXOPNIPI-HEHNFIMWSA-N	502.578	5.057	50	40	KKGB	
Cc1ccc2nc(-c3ccc(OCC(=O)N/N=C4/C(=O)Nc5ccccc54)cc3)cc(-c3ccccc3)c2c1	9369251	CVAZXHIHGQQDAJ-UHFFFAOYSA-N	512.569	5.729	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1	9374838	NRWFOCQHJNDCGZ-WCMJOSRZSA-N	515.400	6.880	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1	9909832	AVKGUZIRZNYDDY-WTALZMIHSA-N	512.393	6.197	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	20206950	SRWJJOZJVNHGJA-RDRPBHBLSA-N	528.074	5.481	50	40	KKGB	
CC(/C=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)=C\c1ccco1	35200344	OJPGCYUQPNRAHI-NZQADDSOSA-N	518.664	5.525	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	59417170	MHPMWMDLHJSTHE-QDTIIGTASA-N	507.852	6.222	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cc([N+](=O)[O-])ccc1Cl	97939479	ODFAAJXDCJUWAB-WNFQYIGGSA-N	514.441	5.288	50	40	KKGB	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3ccc(-c4cccc(Cl)c4)o3)C3=C2CC(C)(C)CC3=O)s1	98007232	RLUKKSFFPPOUPL-QFIPXVFZSA-N	552.125	6.893	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1cccc(Cl)c1	100063416	CKXKXMJVDDVBFH-CCVNUDIWSA-N	536.253	6.426	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c2cccc(Cl)c2)cc1	100125673	BEGWMHLNUURLHK-KVAAJVFYSA-N	603.066	6.420	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	100343500	XDJIUAKMJXLVTA-KCSSXMTESA-N	603.701	5.282	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	100858711	PWEPXRINGVATLT-QQXSKIMKSA-N	551.426	5.238	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	100954731	ZMAIZIUYTGZLQD-WOJGMQOQSA-N	585.354	5.428	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1	100989498	RLBWBWISNXIBLX-IVYNLYIOSA-N	607.744	7.474	50	40	KKGB	
COc1cccc2c(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)c(-c3ccccc3)[nH]c12	103817060	AMHSQZMLQVDNNT-SAPNQHFASA-N	519.342	5.994	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccc(-c2nc(Cc3ccccc3)sc2C)cc1	104087905	RIRLJZQWSSVNQB-RGXNXFOYSA-N	522.545	8.052	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5CC[C@]4(C)[C@@]3(O5)[C@@H](Br)[C@H](Br)[C@@]21C	118915674	XRRHDGKBIMJRKD-ZKNLIQKCSA-N	546.384	6.503	50	40	KKGB	in-vitro
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Br)CC)CC[C@]4(C)[C@H]3CC[C@]12C	118918061	UKWGOBGGUGJZAH-RLSCSOTISA-N	551.719	10.118	50	40	KKGB	
ClCCN(CCCl)c1ccc(CN2CCCN(Cc3ccc(N(CCCl)CCCl)cc3)C2c2ccc(N(CCCl)CCCl)cc2)cc1	150370351	APLMLXMDBWFEQE-UHFFFAOYSA-N	762.525	8.945	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795308	KJNWQEVLFAXIJX-YUMQZZPRSA-N	702.046	8.600	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12	209399763	JJHPZMSWOCISPV-ZVHZXABRSA-N	531.393	7.405	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c(C)c1	216040423	OBDARQWMMYQSAY-VYYCAZPPSA-N	530.260	6.100	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2OC)ccc1OCc1ccccc1	408537401	DNOGBHUMBVSKAT-YUMHPJSZSA-N	627.535	7.869	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Br	408539681	JJOWITCNGYMRKA-MZFJOGFUSA-N	632.393	7.912	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408541418	ZLRXDUJTFVDIMW-CVKSISIWSA-N	604.928	8.732	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408544826	VKNCEXNRUMPBJB-NVMNQCDNSA-N	542.304	5.253	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(-c3ccccc3)[nH]c3ccc(OC)cc23)c(C#N)c1C	408547492	YAMSYRRWHOOOAZ-XDHOZWIPSA-N	509.587	5.981	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408566597	HVSJILMHGJLLAZ-UUASQNMZSA-N	572.188	6.778	50	40	KKGB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408643776	PYDLKHKETNDMDQ-RJMHMIJWSA-N	631.148	5.544	50	40	KKGB	
Cc1c(-c2ccc(OCc3ccccc3)cc2)nc2ccccc2c1C(=O)OCC(=O)NNC(=O)c1ccccc1	408645095	JTEPKGZDCSYONG-UHFFFAOYSA-N	545.595	5.407	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1	408648646	KALGHSYRFIMNLH-XFGZQFJRSA-N	739.373	5.140	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408689488	YGYJMLYORZAUCW-YEYGNOCGSA-N	645.573	5.438	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(I)cc2)c1	408710566	JCWMSIWDFFGVLL-LGJNPRDNSA-N	550.780	5.305	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccc(Br)cc2)s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408730835	JCSGHEMRWKRMKM-VFLNYLIXSA-N	619.328	6.132	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1	408739389	ZVTMGJRTTGJBCL-LHDZSEQTSA-N	557.607	5.099	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408743849	BZVDMSUGQASIMX-APSNUPSMSA-N	637.655	6.560	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1	408745349	MAUZDHAADCTVMH-PXNMLYILSA-N	522.215	7.433	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I	408746917	HSVAEJJJSGPQSN-JYRVWZFOSA-N	586.021	5.374	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OCc1cccc2ccccc12	408749365	NSJPPOQZIKAKSC-WKULSOCRSA-N	615.265	6.558	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(Br)c1OCc1cccc2ccccc12	408752918	DJVNADNCGMIRQA-HZHRSRAPSA-N	557.444	7.134	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(F)cc1	408788846	MLSYFAYHSCNLBY-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCC#N)c(Br)c1	408793139	DETOYOFSUVRCRO-AWNIVKPZSA-N	509.585	5.621	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1	408797299	RFVGHCSDAOAQSC-FSJBWODESA-N	578.837	7.531	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(C)c(C)c1	408804862	BVUHDDOZNHISSW-UFFVCSGVSA-N	586.857	7.003	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccccc1F	408809723	IMRDDXVJYPJGOY-SXGWCWSVSA-N	530.737	6.274	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408809922	LHVSNNNWKZMTSS-CPNJWEJPSA-N	507.804	7.925	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408822086	AJIJNYMMLICYIC-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408831163	QCDGYSRVLGBWJK-JJIBRWJFSA-N	539.975	6.952	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408833544	SYFLVSWLHOMRLO-JVWAILMASA-N	672.008	10.211	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408840524	GQMOSPGLJGMTMR-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408841262	FAJNFOADUBFILX-IPPBACCNSA-N	708.363	7.234	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1	408854681	AALWGPSPGNYKNX-BWAHOGKJSA-N	548.712	7.449	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(Cl)cc2)cc1	408863212	LCWKUVBKTUUXAM-KCSSXMTESA-N	582.509	6.226	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408865640	DGQGBMGORASOKG-MZJWZYIUSA-N	506.227	6.418	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1	408878590	AUQWSKFMTMZDHW-LDADJPATSA-N	521.913	5.420	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OCc1ccc(Br)cc1	408888969	DCARFUPNTPUDAC-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccccc1Cl	408893691	GUBHBEODSKWOMC-ALQBTCKLSA-N	551.127	7.311	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	408921507	AGOOSCINNQWLJZ-LSYYGSJISA-N	750.430	6.072	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1c(C)cc(C)cc1C	408982532	YKXIWGIAQYILLK-AKPCBBCXSA-N	549.671	6.211	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408985120	VLYZYBMHAHOSJD-NVMNQCDNSA-N	501.797	7.089	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)cc2)cc1Cl	408989271	TXLVBMQQFAKLOL-UNOMPAQXSA-N	528.777	6.378	50	40	KKGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409006058	LMZYSDWGMLVAPD-KCSSXMTESA-N	566.054	5.399	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409021079	XQLLZHRGSBOPSF-LSFURLLWSA-N	591.041	5.392	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cccc(Cl)c2)cc1	409114911	RHHAANPQXHXZCK-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OCC)c2)cc1	409161740	ZATFXZOYQYPBTL-FABQOPTDSA-N	600.594	5.389	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	409186213	YWCULBRBKROVMZ-VTNSRFBWSA-N	687.956	5.944	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccc(Cl)cc3)c2)ccc1OC(C)=O	409220302	WLDIFYKVSAAQBL-HJNJRJJQSA-N	612.038	5.909	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409225168	PFBWSARMZRVQGY-UHFFFAOYSA-N	618.042	5.610	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1C#N	409232580	ABLLGWQTHUEIHB-HTAGGTJDSA-N	530.422	6.083	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409264416	KCVGJMUMBPOKCF-NUJZUDFISA-N	514.409	5.790	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1	409267435	UUDWQJKHWHUFOG-RGVLZGJSSA-N	552.856	6.591	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)ccc1OCc1ccccc1	409269191	GURMIZZMTBAKPU-UCMJSZAQSA-N	537.616	5.754	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409270072	BVKDOYHITVBKMH-NDENLUEZSA-N	538.431	6.572	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409306210	ZBUHGPMEMZWERV-LEWJYISDSA-N	646.869	5.630	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC)c(OCC)c2)cc1OCC	409312555	MESNIDOMXDDNLL-MYYYXRDXSA-N	540.398	5.040	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409324222	RPBNTSUCXBRGJB-FSGOGVSDSA-N	530.602	5.114	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)ccc1OCc1ccccc1	409331400	CURJARHHDOLKQK-KYHGBAKBSA-N	518.972	6.410	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OCC(=O)OC	409337601	ZPVKGZZKPWVKBN-WQRHYEAKSA-N	513.331	5.459	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(I)cc1	409372475	MBMVRYQEGWMHIO-WJDWOHSUSA-N	513.247	5.964	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1cccc2ccccc12	409374737	XZNWPVRISNWDPW-HYARGMPZSA-N	571.418	7.363	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Cl)cc4)c(I)c3)[nH]c2c1	409391600	KAQBEWMDBWHVOP-YVLHZVERSA-N	541.776	6.473	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395671	QMSDVOKXEODQTE-UHFFFAOYSA-N	556.937	6.519	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)[nH]c12	409396167	WVDVVVUBIOBLIM-UHFFFAOYSA-N	645.351	7.905	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(Br)c4c3-c3ccccc3Cl)cc2OC)c1	409397005	DXEBMHPFYCLUAJ-UHFFFAOYSA-N	662.924	7.260	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409397029	FGFLLNCNFVDHPG-UHFFFAOYSA-N	667.343	7.905	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397404	JMZDHQQYSODKSX-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409398961	XCFDDLLXPWSSFG-UHFFFAOYSA-N	561.638	6.842	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3ccc(Cl)cc3)o2)cc1	409401653	HYBZCMOVTUOHRQ-RODHXAHZSA-N	667.387	8.678	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	409401826	IGGBVZZUQLHVME-FQEVSTJZSA-N	580.037	5.632	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OCC	409404194	PFQYPXPEDSNLMT-FZPRHHONSA-N	685.515	5.975	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)o2)cc1	409404675	QPAIIMOBDUYVSB-ADJDCTSUSA-N	693.957	7.603	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1O[C@@H](C)C(=O)O	409406162	WCHXKOASGXPKJU-GYJUCFALSA-N	580.037	5.934	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCc1cccc2ccccc12	1529549460	ZOIHARHRWBCZEX-ACKQVUGPSA-N	643.165	5.957	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(=O)OC(C)(C)C)c1C	1869234	QIWRQOUFVCLPOJ-LGMDPLHJSA-N	563.657	6.395	50	40	KKGB	
CC1CCN(C(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)CC1	2280293	WUVWXBHZCXYDQG-QAKHZNQRSA-N	500.451	5.678	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2336392	IFBPLVFWGRZSEK-OCSSWDANSA-N	543.649	5.181	50	40	KKGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1	2380887	JRYOPUNCTHETHI-CPNJWEJPSA-N	526.401	5.749	50	40	KKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OC	2553630	HHYNEHCLEFYRPD-YBFXNURJSA-N	515.557	6.486	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl	2645382	VGHXLXOJOZIFLP-CPNJWEJPSA-N	549.027	6.733	50	40	KKGB	
Cc1cc(Br)c(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1	3145818	YSUNEQOLIVYBGA-RPPGKUMJSA-N	591.212	5.177	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1	4196254	WNQOUSVJVAIRBG-VCHYOVAHSA-N	576.274	7.288	50	40	KKGB	
COc1ccc(C[C@H](C(=O)N/N=C\c2ccc(N(CCCl)CCCl)cc2C)c2ccccc2)cc1	4821992	JYQWGXWLPVDWOS-NMBDKVOKSA-N	512.481	5.764	50	40	KKGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccco2)cc1	8448733	BDTPACHQOZSPKC-BCYJFFPWSA-N	509.400	5.813	50	40	KKGB	
Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl	8682517	JCJDJFGFPSSNLX-DEDYPNTBSA-N	526.401	5.749	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccccc1F	8925912	IRSGBIILQUWPTR-FADJLKOXSA-N	522.668	6.452	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)c1OC	8983625	YQDUQRUZGLRZAJ-JFLMPSFJSA-N	514.051	5.363	50	40	KKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(I)cc2)c1C	10118560	QEFVEXDPUYSAHD-WYMPLXKRSA-N	507.759	5.125	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C	13525087	UXELRRXXQXXZJV-CJXXLMRGSA-N	534.632	5.174	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1cccc2ccccc12	16712522	GDRCSVWDCNADGY-UXHLAJHPSA-N	513.026	5.768	50	40	KKGB	
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)c(C)c1	16713595	VKCVASDPFGTCPO-FCDQGJHFSA-N	504.590	6.357	50	40	KKGB	
CCOC(=O)C1=C(C)NC(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@@H]1c1cccs1	19597242	XCZHSMOOSXIBNN-UHAXZQMTSA-N	525.740	5.461	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1F	59336241	BCUORKMYHKWZOM-SXGWCWSVSA-N	505.760	6.919	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1	59680002	COOSNRFYCHCFPB-UZWMFBFFSA-N	517.589	6.532	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	59856725	NXLSFSWMYCJEBN-CVKSISIWSA-N	555.281	5.492	50	40	KKGB	
CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)sc2c1	97964275	GAQMFNWALQIVFJ-LICLKQGHSA-N	586.464	5.726	50	40	KKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1	97982722	IVQSRVYCJMLDJK-FXBPSFAMSA-N	551.068	5.685	50	40	KKGB	
Cc1c(/C(=C2\C=C(C(C)C)C(=O)[C@@H](Br)[C@H]2C)c2ccccc2S(=O)(=O)O)cc(C(C)C)c(O)c1Br	100072740	WRGLGAHSPIPXCI-LIYBQCSASA-N	626.407	7.200	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3cccc(Br)c3)c2C)cc1C	100100650	CLQRBSAGHMEXLC-KKMKTNMSSA-N	563.359	6.619	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(Cl)cc2C)cc1	100122452	FJXAEIKALYYRJJ-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	100127832	PFAKXRWGZDNGIJ-KBVAKVRCSA-N	585.513	6.110	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccccc1	100287749	ROHJKVATEWICGK-KBVAKVRCSA-N	569.058	5.241	50	40	KKGB	
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	100392429	JYZNDQLCHFXCEM-AVFFDJPZSA-N	561.601	7.083	50	40	KKGB	biogenic,in-vitro
C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1cccc(Br)c1	100882840	XKYKHMDEGZGKPD-UUYOSTAYSA-N	527.922	5.879	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=c2/cc(C)c3cc4c(cc3o2)OC2(CCCCC2)CC4)c2ccccc2)cc1	101487338	WQAUOKIUHIDWRF-IVWKALMFSA-N	585.726	5.729	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	101665284	CYADYFWBXXZXIK-CCVNUDIWSA-N	528.366	5.672	50	40	KKGB	
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1c(C[C@@H](Br)CBr)cc2c(C)cc(=O)oc2c1C	103659496	KHQDREDSZQHPLL-DUXSXAKTSA-N	603.348	5.956	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)c1ccccc1	103900226	SMXWHMBVRLFSFR-RXELPWEMSA-N	537.685	6.140	50	40	KKGB	
Cc1c(-c2c(C)c(C(C)C)c3cc(O)c(O)c(/C=N/NC(=O)CCNC(=O)c4ccccc4)c3c2O)c(O)c2c(/C=N/NC(=O)CCNC(=O)c3ccccc3)c(O)c(O)cc2c1C(C)C	150346889	TVLOWNGYHAHANT-GWJAOTRBSA-N	896.998	7.298	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	150385586	BJGAUXCRHDMSKS-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
CCCCSc1ccc2n(c1)cc(-c1ccc(/C=N\NC(=O)c3ccc(C(=O)N/N=C/c4ccc(-c5cn6cc(SCCCC)ccc6[n+]5C)cc4)cc3)cc1)[n+]2C	150421087	GAIHETCWQJBXHL-OYMMCLMRSA-P	809.078	8.487	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	150438626	FOQPIUGOKPIWJP-KVILUOORSA-N	625.990	7.759	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795331	CXHZHCYYBOMBEQ-RKDXNWHRSA-N	916.101	11.531	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408526854	HJVXOQRWKIVPSI-LGJNPRDNSA-N	595.231	5.170	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408555605	YDVSMAVYPBHHLP-CXUHLZMHSA-N	575.246	6.328	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1F	408580413	PJUNTBQVAMGFMQ-LZYBPNLTSA-N	554.186	7.389	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc(Cl)c1OCc1ccc(Cl)cc1	408601401	ASZYZDISOKBOQG-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1	408608618	HXECLNRVHBKHMU-VFLNYLIXSA-N	547.826	5.316	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	408641528	COGWKLUSDURXKG-OZTQZWFPSA-N	566.268	5.692	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408646224	ILFSFPHFLIZIML-GHMQEZDJSA-N	783.684	6.884	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408677894	FHBYYVSYGFWRIN-JNYDFHNISA-N	566.677	5.183	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccccc1C#N	408677933	WCRBTWHCADPYKR-OCSSWDANSA-N	533.426	5.272	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(O)c3)c2-c2ccccc2)cc1	408741711	KSMBRXDVTUGXAD-STKMKYKTSA-N	501.586	6.680	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccc(I)c(OC)c3)c2-c2ccccc2)cc1	408745813	AIXJMSKBVODVKA-ICUTVXMZSA-N	669.519	7.365	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408753999	IFIRTPQNPJTIBP-WOJGMQOQSA-N	586.420	5.378	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408758737	QBRIRDYIAATDMO-HMMYKYKNSA-N	529.530	5.070	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12	408765526	LTPNNROONKTSCT-KCSSXMTESA-N	547.661	7.064	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc2ccccc2c1	408766394	PXESUWBRPRNECC-QRVIBDJDSA-N	653.314	7.730	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OCC	408775745	JMKMGSWAGIMTJO-WQRHYEAKSA-N	502.352	5.417	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1	408788055	AMDMOZAXKFMROW-YBFXNURJSA-N	577.249	7.285	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408792007	GMKWYVDFCLYCHV-CAOOACKPSA-N	550.225	7.211	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408793338	DYWZVYAQOIUKCE-VCHYOVAHSA-N	649.133	6.885	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Cl)c1	408799601	ZWGHETPSECQFAK-RGVLZGJSSA-N	690.706	7.827	50	40	KKGB	
C=CCn1c(C)c(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c2ccccc21	408807754	FCSGRWYICPUHDL-BQBNFOSNSA-N	506.650	5.559	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(C)c(C)c1	408810691	JMDAHKUKEIHYFN-FSJBWODESA-N	519.439	6.816	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408812463	SNTWWOYSAFUYCV-LPYMAVHISA-N	541.991	7.233	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(C)cn34)o2)cc1	408825523	IOALREVNYYVCHF-UHIZKJEFSA-N	624.550	6.314	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1)c1ccccc1	408827498	JZZPPDBWYMWINK-LLKOYHOCSA-N	619.143	5.326	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408827623	LOQCQKPQYPBUSR-NDZAJKAJSA-N	617.145	9.212	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5Cl)c(Cl)c4)cc3)cs2)cc1	408839061	MGVWDCCQVIVGIM-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1	408839169	OEZYGOOHWHOYOR-XJECJHNESA-N	676.976	7.870	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1	408842482	OCRCHAKNFZBDKF-XAZZYMPDSA-N	554.550	5.876	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408843032	LHVSJCXRBGTZOW-VVEOGCPPSA-N	658.372	6.703	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408844376	NXWIOXBDBSPTAL-MZJWZYIUSA-N	568.440	6.239	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408844403	OKEIAOLERDZMLI-YSYOEVFLSA-N	680.997	8.804	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Br)cc1	408847587	NPWWNNCQAYVAQD-UVHMKAGCSA-N	611.128	6.716	50	40	KKGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408849606	ZMXSDCNKDMIUCS-LUOAPIJWSA-N	512.374	5.953	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408854481	GMRQXIDPMOAZFN-MOHJPFBDSA-N	590.101	6.577	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408864715	ZHXSXCCRZGZUJS-MHDJOFBISA-N	633.985	6.717	50	40	KKGB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)c2C)cc1	408870987	WODSBUNRPPWMIL-VWJSQJICSA-N	630.554	6.562	50	40	KKGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C	408878099	ZRLNABGPOGEVRW-OPEKNORGSA-N	529.236	5.339	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N\NC(=O)c5ccc(Cl)cc5Cl)(c5ccccc54)[C@@H]3C2=O)cc1	408881222	IMTBKXRWVMUESZ-WEHOBKOGSA-N	580.471	6.268	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1cccc2ccccc12	408881340	KXFWQNSMGBGWND-STBIYBPSSA-N	517.379	5.984	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408882367	NRLANWSINXSJQV-DEDYPNTBSA-N	540.255	6.899	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccc([N+](=O)[O-])cc1	408884055	WOQUEUPSBCPSLN-XKJRVUDJSA-N	618.455	5.694	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccccc1C	408887163	OMZVWKYKAMXPEY-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c1OCc1cccc2ccccc12	408889933	LIWAKZFAEKZCCF-PXLXIMEGSA-N	560.391	6.578	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)ccc1Br	408904805	OXXPAVWBKCLLBU-BCHBDCPOSA-N	734.126	6.400	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3cccc(I)c3)c2C)ccc1Br	408907020	KZKJLJOHSBXPTE-MSXFZWOLSA-N	551.226	5.925	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1	408957289	TZPGCRRQPHZOIJ-NOLAYUPHSA-N	652.704	5.156	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc(F)cc1	408965714	LQDHMSOYHTZCRW-XODNFHPESA-N	556.344	5.984	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I	408981373	ASDMOEZRHYHXRW-NSIKDUERSA-N	603.638	5.503	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	408992933	UDVVJHVKUQOTJB-XSFVSMFZSA-N	574.647	7.548	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1	408999529	WVGZTFJFEKSQKZ-DHRITJCHSA-N	565.205	5.405	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1	409015909	PJLYUHCRTXHGMR-LCLKCRRUSA-N	575.449	5.919	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(F)cc1	409019810	XMNFGIRVMVAVQB-SGUCACAYSA-N	597.090	6.047	50	40	KKGB	
Cc1c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1Cc1ccc(Cl)cc1	409038072	DMAHYSKIUGCRSZ-OJYCWLPVSA-N	529.043	7.631	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1cccc(C)c1	409044500	VMGXOWMNMYDSIN-DEDYPNTBSA-N	523.511	5.976	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409047021	TWMCMELFHOIDPG-MUFRIFMGSA-N	563.477	6.654	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)c(OCc2ccc(I)cc2)c1	409064414	PJUKJEOJXMHXCT-CJLVFECKSA-N	557.476	6.072	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	409070595	CMUIXZPBZWGUIK-NTEUORMPSA-N	523.781	5.666	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c1C	409085179	YWMZWCAKHWNIEM-LZYBPNLTSA-N	527.320	6.765	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1)S(C)(=O)=O	409112917	MKXNMZCKTNBMGV-AJBULDERSA-N	527.646	5.304	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1ccccc1Br	409115709	NTLSDWAZQIYJIM-VTNSRFBWSA-N	641.519	5.113	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	409122756	BLUATIAWLBCXFQ-NRFANRHFSA-N	667.197	5.307	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1	409132069	OMTWPMYHPHKCTE-MHZLTWQESA-N	501.627	5.047	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409199337	BQCHOAFENFXZIK-QRVIBDJDSA-N	532.337	6.996	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	409218379	UTUDVUQIBHPQGI-VTNSRFBWSA-N	529.065	6.441	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(I)cc1	409228874	GKLPZKSRHHLNLM-MFOYZWKCSA-N	704.224	7.048	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccccc1Cl	409232705	BKRIBYLAOIPIDD-WKIKZPBSSA-N	552.771	5.364	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409254885	JNCMVBGJGSFUOI-YVLHZVERSA-N	603.698	6.737	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OCC	409301293	DSXBLHUTJKXXBM-DICXZTSXSA-N	537.421	5.322	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409319157	BEXIWTJRVAHSBW-NUJZUDFISA-N	590.858	5.300	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OC	409326799	OIOHVHBBEMCNLN-MUXKCCDJSA-N	594.833	5.703	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(I)cc1	409372460	XYZPSGZBQGBYGU-ODLFYWEKSA-N	512.303	5.851	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409372724	HXVRIRWSEMFNSJ-BCHBDCPOSA-N	571.642	6.589	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc(C)c2)c(Br)c1	409374135	YVVCAVCTNKOZTR-FJEPWZHXSA-N	582.292	7.025	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409374457	QBCCMJUZVMZYKP-RQZCQDPDSA-N	543.248	7.674	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409381107	FBKSZVGGOLHRHR-WOJGMQOQSA-N	573.955	6.329	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(I)c1OCc1ccc(Cl)cc1	409383905	OGCUYNODMFJGRR-CCVNUDIWSA-N	594.833	5.703	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1cccc(F)c1	409386131	OLVURGSUHWNCCI-KKMKTNMSSA-N	558.385	6.063	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc(Br)c1	409386403	NHPSYJQUSGGCGU-YBEGLDIGSA-N	528.765	5.805	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397180	HEINTTGWFNXWBA-UHFFFAOYSA-N	684.317	7.738	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(F)cc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409397676	MQZSRJKAFQCEOJ-UHFFFAOYSA-N	630.072	7.417	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397714	NCQZMPIQJBPZDF-UHFFFAOYSA-N	548.986	6.352	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC#N)c(Cl)c3)o2)cc1	409402288	JPXSYNVRFXQNHK-BVMLUPFRSA-N	537.403	6.239	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)O)c(Cl)c3)o2)cc1	409405722	UXZFCQZAWCJAAE-NUJZUDFISA-N	521.957	5.147	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	1529548183	YPVDPIYYDPAKFB-XINRNAFCSA-N	753.446	6.062	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1	1529549419	YMDVXFTZGTXGJH-YMEQDBNJSA-N	726.606	5.220	50	40	KKGB	
C[C@H](OCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12	2060993568	RNWRTPIXDLQQFC-KRWDZBQOSA-N	548.508	5.076	50	40	KKGB	
COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	1763032	SDNBAJCWGZNXBT-SDNWHVSQSA-N	568.405	5.459	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1ccccc1	2331353	IVGWYODORVGCGL-NFHYYMBESA-N	504.011	5.722	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(I)cc1	2773487	UVYNGZFDLOSCSG-FMIVXFBMSA-N	519.682	5.658	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC1CCCCC1	3258822	OCFCMSDYSCFAON-NCELDCMTSA-N	537.063	7.128	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(Br)cc1OCc1ccc(C)cc1	4047778	VWNUGUASTJUDQP-KBVAKVRCSA-N	546.465	6.517	50	40	KKGB	
O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1cccc3ccccc13)N2	6475371	XQCNVVBTGRHNPQ-PDKZSJQVSA-N	532.021	7.695	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(F)cc3)=C(C)N2)cc1	9375420	UPWLXUZFUGCNRI-VWLOTQADSA-N	503.555	5.378	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc(F)c1	59333027	AERAPLKLCHYLCS-HMAPJEAMSA-N	505.977	5.322	50	40	KKGB	
OC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F	95681728	MFHOUSVHHLOPGM-VKHMYHEASA-N	654.045	6.817	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	96933943	RWIUDIFZHJOAOJ-MUUNZHRXSA-N	542.636	5.849	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)N/N=C/c1ccc(Br)cc1	97962731	XNNWZNCUAHOIBM-DPNNOFEESA-N	615.325	7.623	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	100118521	ODBREOXYAAVEOI-FADJLKOXSA-N	580.685	6.393	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100119021	HXGBRZWFRSVENG-JIDBWQTOSA-N	577.537	6.939	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	100366470	AXLDKOMXSNNQHQ-AMVVHIIESA-N	591.904	5.858	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc(Cl)cc1Cl	100854641	XSOGPIQAIBGDOG-RWPZCVJISA-N	536.916	7.043	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(Cl)cc2)cc1	102078512	MPQWZCXUBLIVRW-RKZIHRPTSA-N	542.875	7.020	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1	102656050	KTXWRLRHUGGPSV-YDRVBMSGSA-N	505.206	5.070	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	102808805	FYJBYBQOOSJEAM-MHZLTWQESA-N	529.065	6.355	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	102810050	TYWUITOFPOWQRT-VWLOTQADSA-N	568.646	6.782	50	40	KKGB	
CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528003	PUDKWXNINVMRRR-ZETCQYMHSA-N	544.133	7.499	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342155	WDBUMDQNOKGWJE-REOHCLBHSA-N	842.037	10.293	50	40	KKGB	
O=C(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F	164493500	VOAMXAGBQIGIEI-CPBOMRNWSA-N	996.120	10.868	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1ccc(C(=O)O)cc1	408540937	CYSCANQRSFBWMS-NVMNQCDNSA-N	531.175	6.692	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc2ccccc2c1	408548523	IDNCXGKECUNSMZ-JJFYIABZSA-N	509.230	8.552	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408565818	AUJNDXBJAMBWFC-FJEPWZHXSA-N	542.260	7.181	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408579229	DYEBGEVJFRSHIF-RQZCQDPDSA-N	595.220	7.548	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1OCc1c(Cl)cccc1Cl	408606760	AUCUBQOHVCXLSV-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408676934	NRSHFKRKMVWUCV-LQKURTRISA-N	557.286	6.155	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Cl)cc1	408725522	LCSLJZTVFJPEES-KIUFUGSVSA-N	519.867	6.357	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc(Br)cc1	408726151	QGEOBVAMBXNKTP-WQRHYEAKSA-N	619.253	6.283	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408746531	FAOKTRWAFZFFCE-MFOYZWKCSA-N	590.655	6.688	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408749644	RSCUUSDOQXABJJ-RPPGKUMJSA-N	619.264	5.447	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408759597	HSEZVANKGYPKRD-PXNMLYILSA-N	536.640	7.534	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1Br	408773698	WQCCZPSTCVHSLA-YVLHZVERSA-N	560.217	6.484	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(C)c1	408788207	JCRRRMRQCICIMA-QGMBQPNBSA-N	520.243	8.042	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408796138	XBLSCMYRMHWQKK-YZSQISJMSA-N	549.583	6.697	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408796392	NYDZLQATBZOEDF-VCHYOVAHSA-N	648.251	6.485	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	408803060	KWAFNKCIVJRKHG-XMHGGMMESA-N	507.804	7.925	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2c(C)ccc3ccccc23)c1	408815585	RWIXEKCAAASFSN-PXLXIMEGSA-N	527.418	7.044	50	40	KKGB	
Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408828760	MDVRSXROZBXYOO-CNCDYAKUSA-N	630.941	6.351	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1	408830924	TZRMNXCWYAJPCF-DPNNOFEESA-N	625.534	5.741	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1Cl	408833190	WMDUUXGTDUNSBO-DYGMJOEHSA-N	543.801	5.582	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cc(C)ccc2C)cc1	408837476	GIXXGGLDOVLXIE-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC(=O)O	408855485	FMIILKVWQVTWHR-UCMJSZAQSA-N	537.616	5.807	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1	408855837	FGNBJFCAPWPNCW-FMFFXOCNSA-N	608.116	5.672	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)cc(C)c1OCc1ccc(F)cc1	408858517	PRCLVRDPYUKGQF-ATZGPIRCSA-N	529.681	7.133	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408862813	MLJNDKUMVIVITL-ODQASSKESA-N	755.902	7.660	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)o2)cc1	408862896	NNDWWKHHAJCUHV-KBVAKVRCSA-N	600.480	5.776	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1)S(=O)(=O)c1ccccc1	408871422	YDCSEIWQRCPIGN-BBUXEPKYSA-N	671.175	6.096	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4ccc5ccccc5c4)cc3)cc2)CC1	408877157	TYBVMAXTKDWRGU-XPGZBYHPSA-N	584.720	6.514	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1Cc1ccccc1Br	408879293	DUOMJJHSUIUSSB-VXLYETTFSA-N	544.276	7.600	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OCc1cccc2ccccc12	408879361	FVIOJGLRZBCQNR-RGVLZGJSSA-N	548.382	7.188	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408885654	DLGRKVVWWBYOKY-LICLKQGHSA-N	557.198	6.244	50	40	KKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)o2)c([N+](=O)[O-])c1	408888651	YJAVJBMBOSETKG-UKTHLTGXSA-N	561.186	6.243	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408896596	SHSTUTHXHSIJCS-LDADJPATSA-N	576.790	6.929	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408904313	HUIHUXONDJXAFG-ZRGSRPPYSA-N	547.793	6.062	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	408939834	BPEKMHFKVGESLM-HKBQPEDESA-N	722.061	6.720	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1	408940371	CEGRXJNNEAHHCB-NDEPHWFRSA-N	672.001	5.567	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408947880	DJCHPHKTCCTAON-QFEZKATASA-N	540.450	7.473	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408963525	OGNQUMITAAQJSZ-IURWMYGYSA-N	504.339	7.088	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408970583	IVNXKELIIKTCHC-CTASPCEKSA-N	747.901	8.032	50	40	KKGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1	408972033	OLNIVGGRVOMJPL-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccccc1Cl	408973065	YDUIXUPIQVEWOJ-XKSUYGRUSA-N	675.053	7.802	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C	408980453	RAUFUTZKEZVDFE-AKLYFZKISA-N	505.615	5.189	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc3c(C)cccc3C)cc2)c1	409010554	BVUDTWPNDHPMFR-SXLHCEKXSA-N	515.654	5.251	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409015205	OGGQGQVAAMZPJS-PCJWKWLCSA-N	585.315	7.009	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccccc1Cl	409017906	WGAUZJPMQFUSES-JFLMPSFJSA-N	524.857	5.031	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OS(=O)(=O)c1ccccc1	409062955	DLYQDJXJDJPIOI-SFQUDFHCSA-N	525.380	5.821	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1	409067813	QACKXAWWPKNMLS-LFIBNONCSA-N	506.889	5.672	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409076942	CQHYJPVGDLRPIY-VGOFMYFVSA-N	585.844	7.632	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409091308	PGMIPDARRLSVSF-OVCLIPMQSA-N	644.322	8.132	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccccc1F	409123503	GQSKIDKCCZTHJG-QHCPKHFHSA-N	573.406	5.138	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(F)c1	409126451	OZFBQDOHFGSESW-MHZLTWQESA-N	519.617	5.186	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	409184137	FJOZSJAGIKPPFI-KVSWJAHQSA-N	568.320	6.727	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)ccc1OCc1ccc(Cl)cc1	409184790	HTGILOBDMJROIP-GUBAARJWSA-N	613.158	6.412	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc(C)cc1	409191555	ZADKAGFCNNFCOS-NDENLUEZSA-N	530.406	5.543	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	409203381	WUMKMPZCNLMUMJ-LUOAPIJWSA-N	542.257	6.716	50	40	KKGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(C)=O	409217921	FTDDSAAOFPXTJH-OHUYPAJKSA-N	610.579	5.073	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	409218054	CMCKAGJIJDSBLX-LDADJPATSA-N	508.347	5.460	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc2ccccc12	409218433	FGPHIWNBYWSYGE-QMGXTECSSA-N	510.462	5.039	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(I)cc1	409221814	VGYOIZZJKYQMBO-WKIKZPBSSA-N	552.771	5.364	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1OCC	409227241	UPYMFBOBUQRKRF-UHFFFAOYSA-N	799.469	7.270	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(I)cc1)c1ccccc1	409232900	SUKVLWITTIATFO-WBRURWICSA-N	587.255	6.417	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2Br)cc1	409251668	QCBDNQHKHPBCDP-AEUUOICLSA-N	654.590	7.714	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409267885	POXULGDPASFGGJ-DBFSUHOCSA-N	626.278	6.087	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OCC	409321446	GOKRDMMWWUJQQP-UHBFCERESA-N	542.419	5.738	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)ccc1OCc1ccccc1	409322124	KQUNAIGMBDPNNU-FZKWRIDDSA-N	734.996	6.853	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCCC)cc1OC	409324401	SRSZBDBFXKMRPP-CFRMEGHHSA-N	526.225	5.338	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)ccc1OCc1ccccc1	409334510	SIFHZTKQHHBEJY-QDTIIGTASA-N	517.365	5.198	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1OCc1ccccc1	409367693	DQQWXSMHWDIJTE-CAQPMQTCSA-N	626.960	6.023	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1	409368892	RORALPBHNWLTJW-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409371992	XRVPOIHIJLQDHJ-LDADJPATSA-N	566.408	5.125	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	409373897	WDTBDWAZTYWPBW-XAZZYMPDSA-N	635.285	7.111	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	409375830	PSBMLFKPLLQWDQ-UYRXBGFRSA-N	520.383	5.329	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OCc1ccc(C)cc1	409391053	HFVJNYRUWUHSDC-JAIQZWGSSA-N	518.411	6.684	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)cc1	409394998	IPDZPKXHNFITKM-UHFFFAOYSA-N	728.768	7.847	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)[nH]c12	409396607	ZHRZWLPNWDHVIN-UHFFFAOYSA-N	637.284	6.945	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cc(Cl)ccc4OC)c(OC)c3)c(-c3ccccc3)c2c1	409397802	OFDKCMWGGFDZKS-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(C(=O)O)cc1	409400069	BGOPHIKOGIEEIT-VHFSBPNMSA-N	719.532	6.920	50	40	KKGB	
CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409400592	PRDQOXWTHUIFIW-UHBFCERESA-N	522.001	6.091	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)Nc1cccc(F)c1	409403355	ZUXIRYFSYXFVFW-AEVGBRMKSA-N	689.538	6.958	50	40	KKGB	
Cc1ccc(NC(=S)NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1	1815705	OYKMYJVRHIPYLR-UHFFFAOYSA-N	511.723	5.402	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cccc2ccccc12	2097751	NTYCECDLHKACFD-DSWROXKMSA-N	596.498	5.465	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccc(Br)cc2)c1OCc1cccc(C)c1	3080256	XVBRYYJDXLQKHC-LQKURTRISA-N	524.415	5.214	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Cl)cc1)N2	6445723	WUFJXFLQFQGKDW-FPVDIDMMSA-N	550.489	5.934	50	40	KKGB	
CC(C)(C)N(NC(=O)N[C@@H](c1ccc(Cl)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1)C(=O)c1ccccc1	8453172	PDCUENFHMWBZNY-MUUNZHRXSA-N	592.032	7.845	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(=O)OC(C)C)c1C	8812801	JDZSMASKAOGIRT-MZJWZYIUSA-N	512.404	5.194	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12	12582928	GYIKKBDOZPZMHC-FDAWAROLSA-N	506.949	6.894	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1	13786400	GWCJPYWLOGXDOJ-SCIJIFGBSA-N	512.393	6.197	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	36235353	ROICCDQUJOMAEI-VKSJCQJWSA-N	513.937	5.250	50	40	KKGB	
COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OCc1cccc(C(F)(F)F)c1	44790555	QYASARMYWDXECV-SFQUDFHCSA-N	516.497	5.687	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	59853341	LHGCRLPOZHOMJL-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
CO[S@](=O)c1cc(Cl)cc(Cl)c1OC(=O)CSSCC(=O)Oc1c(Cl)cc(Cl)cc1[S@](=O)OC	82196882	GYJSTKRYMHRILW-AQOUDTPCSA-N	628.382	5.531	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1C	97958792	GJYGKSQFOIAUAV-CIAFOILYSA-N	582.394	5.821	50	40	KKGB	
CCOC(=O)C(=Cc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)OCC	97983179	WIBSWJIETVOOIX-UHFFFAOYSA-N	523.569	6.005	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	98048905	ZMLQTHGQUZIOAH-AREMUKBSSA-N	547.080	6.565	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccccc1	100123127	HVRHYDMAFOIKKO-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	100129610	XNQQSBBOEMSNTJ-FDVSRXAVSA-N	559.475	5.335	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100141565	UJXLUGIAQPPBPG-KYHGBAKBSA-N	593.105	5.338	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1	100360147	YQGVJUQJMCNPLH-MFOYZWKCSA-N	562.247	6.898	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccc(OCc2ccccc2)cc1	100397335	YAAPWUUPJFNRTA-MZFJOGFUSA-N	554.075	6.409	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1	100580381	GXCLTUSSGIFERW-RQZCQDPDSA-N	542.773	6.144	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(-c4ccccc4)cc3)n2-c2ccc(C)cc2)cc1	100853491	YUXRHNFIODWPBT-RGXNXFOYSA-N	533.657	6.161	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	101509472	CDWGNODUQCBVBO-NDZAJKAJSA-N	558.664	5.781	50	40	KKGB	
COc1ccc(CCCc2nnc(SCC(=O)N/N=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])o2)c(C)c1	103686582	DKXYNNITALEJOM-LJUMEUDFSA-N	605.673	5.300	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2cccc(C(F)(F)F)c2)cc1	103896617	CCBZSETZPAJMLA-ATZGPIRCSA-N	551.590	5.611	50	40	KKGB	
O=C(Nc1cccc2c(O)c(/N=N\c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc(/N=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)c12)C(Cl)Cl	150391130	AKLRZBQCBHTKED-VAXAQTQESA-N	802.729	8.633	50	40	KKGB	
COc1ccc(CCNC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	150476255	LAFCWVUIGJIZEU-RODHXAHZSA-N	708.020	5.457	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1	150481150	HEDDEGKOJFEEMN-SEBMTOOBSA-N	705.258	5.974	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	408526902	HRQSTXWJTAJBQS-MUFRIFMGSA-N	519.395	5.719	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	408537734	HBSMNOPATBGJTI-XHPQRKPJSA-N	539.031	7.442	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc2ccccc2c1	408548594	JIELFEQPDUVPPP-QRVIBDJDSA-N	519.236	8.008	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc2ccccc2c1	408549173	QHCULCXZNSBIDV-MBTHVWNTSA-N	520.426	8.407	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408570028	ROAWBMHMBZQZGR-CCVNUDIWSA-N	634.517	5.576	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)Sc1nc2ccccc2[nH]1	408598783	JPZDCHFXTNFFQG-WOJGMQOQSA-N	507.369	6.469	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1cccc(Cl)c1	408711680	FMMHSQIXOCOGND-UVHMKAGCSA-N	613.677	6.449	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	408718262	PVXBZNOIRBTMTJ-RPPGKUMJSA-N	522.182	5.748	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1)S(=O)(=O)c1ccccc1	408728612	PSFJLEWUGVVUIX-UZWMFBFFSA-N	561.107	5.874	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(Br)cc1	408744892	HZWLDEGJLOMDRC-KQWNVCNZSA-N	547.449	6.710	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1OCc1ccccc1	408756298	YPZOJVKDKPOGBK-BKUYFWCQSA-N	519.395	6.175	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408768660	ZVIOZNPKKFVHQC-BOPFTXTBSA-N	596.394	6.068	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1C#N	408771500	IMIWEOAKVALJGZ-IWIPYMOSSA-N	604.448	5.006	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2cccc(C(F)(F)F)c2)cc1	408778242	RLAGCMMJMXEIGR-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408789541	JXEBQSWHBNIXEG-CAOOACKPSA-N	508.874	5.290	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccccc1Cl	408795077	KZGSQPGPZCHOKD-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cccc(C)c1	408798910	XNSIIMQWMGUJJP-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OCc1ccccc1C#N	408799677	ZYOOBXFACWKNDV-WSDLNYQXSA-N	518.400	6.727	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1C#N	408810369	KIEOMCODYLVBTC-BIKKEBSBSA-N	633.546	7.829	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)c1	408813194	QAYDGEUQQHFJRW-IPHFVPNQSA-N	625.510	7.709	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1cccc(C)c1	408824229	HMNDGRVYJHJRMB-MFKUBSTISA-N	573.476	8.014	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1	408833090	ZFNCURXKPMGEMI-NNLKUIAGSA-N	748.283	5.624	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408833820	VFJDNHBKRCEKQJ-OCSSWDANSA-N	600.535	5.293	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc2ccccc2c1	408840269	DAJPHCSQTFVWHG-UCQKPKSFSA-N	545.408	7.265	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1cccc(C)c1	408843475	MZAIHZCHRHUPBH-IZYHBKOJSA-N	676.036	9.020	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408844395	OHRABDDZHBDCDN-KCSSXMTESA-N	554.027	6.790	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1F	408844658	IFHDOTONFVYPSI-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1cccc2ccccc12	408845776	HKYLYOKYOHSCHU-ZLMSITSKSA-N	605.738	8.686	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408854335	CSSOUDQCCIOHSR-UHBFCERESA-N	501.970	5.642	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408858621	ZOAWFAWKDMGXNT-WBIBEUCMSA-N	781.388	7.703	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cc1)S(=O)(=O)c1ccccc1	408862905	NQIRIKSELAESIE-GUBAARJWSA-N	659.208	6.199	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	408865197	BQVYHROWIPVASD-RGVLZGJSSA-N	552.381	5.177	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OS(=O)(=O)c1ccccc1	408885596	COTVPFGSMPLTEL-MHWRWJLKSA-N	643.286	6.310	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408886883	MUOWDKSUQAOCNU-LGJNPRDNSA-N	577.229	5.861	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408887579	RXZKNTQSMHHKJB-RWPZCVJISA-N	579.363	6.374	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408889605	HRIQTLVWUVZYJK-UDWIEESQSA-N	602.450	5.538	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc(F)c2)c(OC)c1	408889939	LLMPESBUQLPSMD-RGVLZGJSSA-N	556.375	6.126	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408894084	IUCWBVAZJNSTQZ-LDADJPATSA-N	576.790	6.929	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408909652	HXZJGLQBGBLGQT-QXUDOOCXSA-N	616.512	5.560	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	408924105	NYIQQOHILYZINK-KKMKTNMSSA-N	627.127	6.334	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(CC)CC)cc1OCc1ccc(Cl)cc1Cl	408946987	NGCMKPXTDLPPIH-JGCGQSQUSA-N	698.673	6.304	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408952140	VSHQUTJTQXVTTE-SSEXGKCCSA-N	650.588	5.881	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(OCC)c1	408953302	XKSSGFYDAXCCPH-MGBGTMOVSA-N	687.218	6.356	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c(F)c1	408966548	MCNGZVVEJYNTKU-IPBVOBEMSA-N	659.624	5.903	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1OCc1cccc2ccccc12	408977110	UFGVYARWBWLVNM-MZJWZYIUSA-N	540.357	5.697	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCC(=O)O)c(Br)c1	408981322	AGYRPCDDBHVWMS-XGICHPGQSA-N	528.584	5.183	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)cc1	408989987	JQHGYXVIZNJPIS-IDLJWYJKSA-N	623.716	6.889	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(C(F)(F)F)cc1	409000346	YQEXZQUNTLRGNG-UYRXBGFRSA-N	505.277	6.953	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC	409017722	OVHPIZYBQCNBEY-RQSOKRQSSA-N	526.758	5.641	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409022557	BAIOMBGZCOAAAR-LPEPFOFCSA-N	603.300	6.811	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409036583	RUWMFZDAVLXJTN-QNVXDBMFSA-N	684.215	9.077	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1Cl	409053835	QVYJJQCUMKZFKP-WKULSOCRSA-N	507.815	6.907	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409067975	RVVGYDCUVKBLEG-FYJGNVAPSA-N	503.942	6.110	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081216	PDKYLPZUUUHEPH-XNTDXEJSSA-N	517.847	6.614	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081515	PSSPYMIFKRWMPY-CXUHLZMHSA-N	531.874	6.922	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1cccc2ccccc12	409129842	KYCDRYGODLOOIE-SANMLTNESA-N	591.449	5.762	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409132306	ZFZVLYWVHPGEMD-ALQBTCKLSA-N	639.105	5.241	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OCC)c2)cc1	409164464	IWGYTEZSNXMWIM-DPNNOFEESA-N	686.547	5.592	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409226041	SLCDTSOJRTXOFD-GSPIJPAGSA-N	613.026	6.282	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(I)cc1	409245023	MHBZMDZJZKFTNU-CJLVFECKSA-N	509.391	5.355	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409256705	OYNOEVJLCBPCHC-WOJGMQOQSA-N	585.373	5.311	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409257959	VGBHJWYOFLFBNM-JMIUGGIZSA-N	629.882	6.442	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409260441	QIIXDTAMSYQBJR-IUXPMGMMSA-N	544.822	6.527	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409265696	NYZMTUVWWFOCKF-UDWIEESQSA-N	629.882	6.523	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	409268573	VZOUYTUIDDHZSY-YBFXNURJSA-N	572.381	6.648	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409312751	MFSHAKKHFCYNAS-ACXHZZMFSA-N	606.975	6.309	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)ccc1OC	409319788	LWLRVVAVQPGOGA-QDTIIGTASA-N	606.267	5.660	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCc1ccccc1F	409324787	VLOBSUGWTKELTQ-HQDYHJHZSA-N	654.476	6.760	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1	409335244	ZSMHQUSDNCAHOB-UHFFFAOYSA-N	566.727	5.772	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Cl)cc1	409359802	NQGGGSYZMXSSJK-MFOYZWKCSA-N	548.618	7.416	50	40	KKGB	
COc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)c1	409368921	SHSNAHWRYQWHQM-WKIKZPBSSA-N	585.307	5.106	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3OC)c(OCC)c2)cc1	409369235	AFLBPPVQUYHBMU-XSFVSMFZSA-N	594.462	5.818	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409374057	YFQBOWXJDXBOEN-FDVSRXAVSA-N	691.263	6.229	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(Cl)ccc3OC)c(-c3ccccc3)c2c1	409394624	CXXMUPFGZQZDDO-UHFFFAOYSA-N	711.794	8.014	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)cc1	409395908	TVTHPLZVFUMFJD-UHFFFAOYSA-N	549.583	5.844	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397819	OJVUIDRICHIQRN-UHFFFAOYSA-N	607.663	6.469	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397949	PSGWSMVNOZQQOW-UHFFFAOYSA-N	582.012	6.599	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3O)o2)cc1	409403776	NWTLMVLOKKFFKD-WKIKZPBSSA-N	553.369	5.406	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(I)cc1	1529548496	HPKSZCQWTUGDBA-LLUBMPASSA-N	768.674	5.882	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	2670838	JZBMKBVLMFPHIP-XNTDXEJSSA-N	525.373	6.755	50	40	KKGB	
C[C@H]1CCc2sc(C(=O)N/N=C/c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)cc2C1	3424920	PMYWQBMZVWHNEA-ANRZLXOVSA-N	510.659	6.795	50	40	KKGB	
C[C@]12CC[C@H](OC(=O)Cc3ccc(N(CCCl)CCCl)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12	5389771	JMZJBCNHUJOLER-ZCGGQIHYSA-N	563.610	6.336	50	40	KKGB	
COc1ccc(NC2=NP(c3ccccc3)(c3ccccc3)=NC(C(Cl)(Cl)Cl)=C2C#N)cc1	8386655	VLMHKOFNLKNMBS-UHFFFAOYSA-N	515.768	6.434	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccccc1C(F)(F)F	19826001	ZDKUNXMZPFZJFB-DBFSUHOCSA-N	502.949	5.999	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCCCBr)=C(C#N)[C@@H]1c1ccc(C)o1	28296532	ZAHWEBXIDBSPHC-OAQYLSRUSA-N	502.434	5.450	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1OC(=O)c1ccccc1)c1ccccc1	33355005	GFYZYPQIKXEDEB-HWLOXFRGSA-N	607.626	6.137	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl	59117295	FRAXFUFWYPJMAF-WQRHYEAKSA-N	501.797	7.170	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1	59335231	QLKPESIJNWWNSB-ZDLGFXPLSA-N	516.222	7.189	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1C#N	59432672	BAFZJPKNVSQNHF-SSDVNMTOSA-N	516.395	6.071	50	40	KKGB	
CC(=O)N[C@@H](Sc1nc(-c2ccccc2)nc(O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl	96022584	VLMFNPSOBKNKMU-HKBQPEDESA-O	653.979	6.393	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2nc3ccccc3s2)N1	96933952	DTGKUPMAXYJFGW-RUZDIDTESA-N	555.685	6.213	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccc(OCC)cc1	97951683	HWCDCPMVPBKFMZ-AREMUKBSSA-N	538.069	5.844	50	40	KKGB	
COc1cccc([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4ccccc4Cl)s3)C3=C2C(=O)CC(C)(C)C3)c1	98006079	IXFUOJCYCUSSOS-HSZRJFAPSA-N	564.136	6.433	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	100122181	AAYRELGCVXAVMV-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	100302985	WMUUVZDUOYRWBU-MWAVMZGNSA-N	537.682	5.045	50	40	KKGB	
N#C/C(C(=O)Nc1cccc2ccccc12)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	100846986	WAEQHONPYKEXSP-RWHXMKQISA-N	544.463	7.212	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1	100990876	NXALHQQFISUCRH-FYAMCCBRSA-N	550.453	5.373	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(F)c3)=C(C#N)[C@H]2c2ccco2)cc1	102808888	YLDHPLNYWKYHEQ-SANMLTNESA-N	532.597	5.524	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1C#N	103883477	VUIICYVLFLTVQZ-IWIPYMOSSA-N	557.448	5.164	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc2c(c1)OCO2	103889819	PXYQDBDJZCSYQF-APSNUPSMSA-N	531.779	6.509	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc(C)c1	103890632	RHGBTQJOXVBFKY-ODLFYWEKSA-N	560.275	7.588	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	103896604	RXWTUUCRASEOIP-AJBULDERSA-N	543.645	5.004	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1	104076911	VOSLVQQLSFMNOP-LJUMEUDFSA-N	528.936	8.474	50	40	KKGB	
C(=N\c1ccc(SSc2ccc(/N=C/c3ccc4c(c3)OCO4)cc2)cc1)\c1ccc2c(c1)OCO2	104313851	CZDOEWGRIZHLKU-CBTGBURPSA-N	512.612	7.445	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccccc1	408541342	ZDMJSRKBQRCZOG-QMRORBIVSA-N	568.979	7.289	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408542524	JZEIKQCHQNAUHL-JAIQZWGSSA-N	578.419	5.418	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408544132	SDVNXKVLSKNQCO-XBQJKBNESA-N	577.681	5.287	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c(C#N)c1C	408546528	KSAOYQNRAWPGPN-CIAFOILYSA-N	514.559	5.101	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCc1ccccc1	408583945	YXAQTZILYFERFM-FYJGNVAPSA-N	511.359	6.342	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1Cl	408611820	WTENJPYWHDVAIN-IPBVOBEMSA-N	508.764	5.762	50	40	KKGB	
CCCCCCCCOC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)OCCCCCCCC)cc2)cc1	408719987	IGGLJUIHFUXZBQ-UHFFFAOYSA-N	598.973	8.262	50	40	KKGB	
COc1ccc(/C=N\NC(=O)c2cccc(-n3c(C)nc4sc5c(c4c3=O)CCCC5)c2)cc1I	408729748	CJHNRFJMBUMFOS-MUXKCCDJSA-N	598.466	5.012	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)c1	408745315	LJUPWEXQHZLGET-OYKKKHCWSA-N	557.444	7.134	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1C#N	408745710	OLSNXZKFMJXCKP-GRSHGNNSSA-N	569.786	5.950	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1OCc1cccc2ccccc12	408762422	BCXDGRMUUZCHPE-MTJSOVHGSA-N	643.308	8.275	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccc(Br)cc1	408781972	UVCBLHARXYHZKH-MFOYZWKCSA-N	569.237	5.463	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccccc1C#N	408788097	BAIILOPSLHTNEX-DJKKODMXSA-N	571.258	7.151	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408794207	IIZYWBRIDWMUGI-CAOOACKPSA-N	590.655	6.688	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1	408796370	XZMVOIPFDHNSPH-LPYMAVHISA-N	593.430	5.847	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	408796888	ZKENNIJYBWUICE-CAOOACKPSA-N	597.667	7.685	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCc1cc(OC)ccc1OC	408807065	KAPSDAPWROGGJM-XDHOZWIPSA-N	522.985	5.889	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)cc1Cl	408823783	GIHKPNQSMOQDMR-VCHYOVAHSA-N	513.377	6.144	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccc(C)cc2C)cc1	408828671	INLLZWNDPUSIAN-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc(Cl)cc1	408830242	OZGLLMQKJNZQLV-KOEQRZSOSA-N	573.476	8.096	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408831833	WVIOYPSRCUKKII-XZYGTATASA-N	685.040	7.159	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)cc1	408835119	MLWXYRXQRJAAPV-HIWRWHBISA-N	625.361	7.357	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)N3CCCCCC3)o2)Cc2ccc(Cl)cc2Cl)cc1	408837035	YBYXMUXLDFCKIY-LJUMEUDFSA-N	605.544	5.139	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(-c5ccccc5)n(-c5ccc(Cl)cc5)c4-c4ccccc4)cc3)cs2)cc1	408838278	DBXQTAHOUGJEBX-QYXAQCCZSA-N	664.234	10.404	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839724	VTRKMGBTSQLHJJ-LUOAPIJWSA-N	517.825	6.983	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1O	408841631	FWZTZCJJFHUGHP-KKMKTNMSSA-N	557.857	6.448	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408842094	NZUBVPSPOUWVBZ-KVAAJVFYSA-N	735.882	7.107	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1Cl	408845460	GYAZLZHUGIHWCJ-UVHMKAGCSA-N	581.692	6.998	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	408848412	WDDWERFGMUDIHQ-ATZGPIRCSA-N	625.306	6.920	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408857247	TVNPHXQYNKKLBC-UQQQWYQISA-N	574.102	6.795	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	408859920	VLYMUAPQQPWELN-IHELAITMSA-N	655.776	7.587	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408860879	HECNDZJKPVZXJF-MHDJOFBISA-N	633.985	6.717	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2cc(Cl)cc(Cl)c2)cc1	408863011	KATRHULCDJECQT-UHFFFAOYSA-N	524.514	6.206	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c1	408864313	VKONXUBUFPGEKX-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cccc(Cl)c2)cc1	408874108	YSXDZENHICTUJR-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408875745	HICUEUIPXMUFAD-FABQOPTDSA-N	687.012	6.353	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408887576	RXLZJHUOYPIDMH-LICLKQGHSA-N	608.841	5.575	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccccc1F	408913897	VXCPGTAKCIATPJ-HNSNBQBZSA-N	577.450	5.952	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2I)c1	408924803	OKUILDBMVXGLHE-MWBNBJEGSA-N	752.475	8.167	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccccc1C	408925592	SFOJGLXTOSZJNY-MUFRIFMGSA-N	550.396	6.104	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(C(=O)O)c1	408936080	FIHYJNJLVFAHSD-DBFSUHOCSA-N	663.262	6.240	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408943474	STNWNJGBMKHRHP-DPNNOFEESA-N	612.535	5.922	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1	408953653	XRYIZEWGJJIFDI-SSEXGKCCSA-N	651.185	5.511	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc(C#N)cc3)ccc3ccccc23)c(OC)c1	408956623	RIRAHNZTALALNX-IWCMBNRNSA-N	647.688	5.019	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1	408980522	RREHMLGJCKQVII-MRAZWZEMSA-N	524.415	5.356	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408999324	QYFIOBSNIQZTNQ-ZWDSVTPMSA-N	682.628	6.036	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409003354	SCRHSTVNOAVFRG-KBVAKVRCSA-N	617.412	5.601	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1cccc(C)c1	409018142	XRMJRLSTZOYENU-XKJRVUDJSA-N	698.149	7.222	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1cccc(F)c1	409031689	KCUVKWJIORGHNK-HQDYHJHZSA-N	539.994	7.046	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1cccc(Cl)c1	409033057	DIZXHQZKBBFKLZ-QNVXDBMFSA-N	682.427	8.975	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)c1	409044206	UHJIRZCZOKUPLS-VCHYOVAHSA-N	544.218	6.784	50	40	KKGB	
CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409048674	UIEUYYBUYBBWOM-NTUHNPAUSA-N	532.154	6.565	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409048818	XKKWTHFVBMCANY-MWLSYYOVSA-N	532.394	5.370	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	409056479	MJNIZTHVEFQKOX-MUFRIFMGSA-N	535.385	5.586	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccccc1	409066657	PEWKZNPFNMIZKS-DEDYPNTBSA-N	510.999	5.669	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1	409073608	QNGDKSMNLJIUTA-SFQUDFHCSA-N	500.935	5.191	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cc2cc(Br)cc(Br)c2o1	409101092	PPAWHNJZNVDNIB-CGOBSMCZSA-N	561.968	5.098	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	409116426	LSZHVEYSYQUCAF-WKULSOCRSA-N	564.491	5.050	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c2ccc(F)cc2)cc1OC	409123407	GVZAINHNCQCSFJ-XJECJHNESA-N	676.550	6.083	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1cccc(Cl)c1	409138300	ZQTITSFUYYBQMY-QFIPXVFZSA-N	528.834	5.420	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	409144028	HWBKHVSLRBFQOT-NTCVIBJMSA-N	634.486	5.073	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Br)cc1	409149063	WPWDJHTZMHNGFI-QFIPXVFZSA-N	573.285	5.529	50	40	KKGB	
COc1ccccc1NC(=O)N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1	409186408	BSPAHESVYMPSMP-MXAYSNPKSA-N	533.220	5.955	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br	409215413	YJDRUUKVGKJMRG-UVHMKAGCSA-N	514.832	5.796	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Br)cc2)cc1	409219155	JQXQIDKNLMSLLN-ZMFRSBBQSA-N	514.763	5.044	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1cccc(C)c1	409224891	LFICNJGBVCNKKC-UHFFFAOYSA-N	611.651	5.655	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccc(OC)cc1	409225638	QJEWZSUYRGWRMK-UHFFFAOYSA-N	537.572	5.329	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1cccc(F)c1	409242520	VLPAHQAMPBSRCV-AIRTYWKNSA-N	523.402	6.350	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409244062	WYNVDOPCBHRPAA-VYYCAZPPSA-N	530.350	5.167	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409251334	PEMWCTKNOMJPGX-YVLHZVERSA-N	582.747	7.088	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409252214	RGMIUNNFFWVELR-WKIKZPBSSA-N	577.806	5.043	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1	409262889	JIOIZBUUULDQFZ-UNOMPAQXSA-N	505.958	5.229	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409265707	OBPBCPRTPNGOSO-JAIQZWGSSA-N	582.882	6.681	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OCC	409310272	SZRYKXLPLDMUKO-LQNQUEJISA-N	584.467	5.427	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	409313575	CNLVBWQTGPSWGL-HQDYHJHZSA-N	680.495	6.319	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)ccc1OCc1ccccc1	409323770	QHPWEXYSVPVKAS-CAQPMQTCSA-N	544.007	5.709	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1OC	409325374	YFITUKBEFKUTNM-UHBFCERESA-N	531.436	6.532	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	409340648	AFAAAEXPJWCUSO-XKZIYDEJSA-N	504.811	7.907	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1	409373436	SOAKCHODKJUHHN-VYYCAZPPSA-N	502.354	5.572	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409394632	DARDWXCEWIGIPT-UHFFFAOYSA-N	662.924	7.260	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1	409395722	QYDOAPDZZNLNJP-UHFFFAOYSA-N	631.324	7.651	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409397193	HHGFWENJUIVQKL-UHFFFAOYSA-N	714.343	7.747	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cc(C)cc4c3-c3ccccc3Cl)cc2OC)c1	409398229	RVFOFAFHSSGDAB-UHFFFAOYSA-N	582.056	7.105	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(OC)ccc(OC)c2c1-c1ccccc1Cl	409399324	ZMKHSQQEYFHWCT-UHFFFAOYSA-N	618.473	7.151	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409399561	JXXMCURTPOYWFO-AEVGBRMKSA-N	705.993	7.472	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409403201	MDTZWOCFAYRRQC-KMUKQRDJSA-N	621.650	6.264	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(C)cc1	409406884	XWSJPNTUPLPWLO-CLHYIUPASA-N	656.577	8.079	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1	1529547669	NZERTXKEAHCJIK-KZMIEDSXSA-N	637.158	5.121	50	40	KKGB	
CC[C@@H](C)Oc1c(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	1531386398	CWHSGWDQQAWLHK-DPNMHVQBSA-N	550.055	6.869	50	40	KKGB	
O=S(=O)(/N=C1/c2ccccc2/C(=N/S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cl)[C@H]1Cl)c1ccc(Cl)cc1	828925	TZAHICNSZWGOQL-VCTIPROYSA-N	576.310	5.578	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Br)cc4)cc3)cc2)cc1	3143769	AMJUYSLYUSIIIG-UXHLAJHPSA-N	579.472	5.868	50	40	KKGB	
O=C(COc1cccc2ccccc12)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	4455023	XVQMPLVTTTYLDB-ZMFRSBBQSA-N	515.816	6.529	50	40	KKGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1	8386678	DMJJKMZGBWWFIH-MWAVMZGNSA-N	542.101	6.035	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2C#N)OC(N)=C(C#N)[C@@H]1c1cccnc1	8448644	HDJINNOFAXWYEN-MHZLTWQESA-N	612.136	6.814	50	40	KKGB	
CCOc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(SC)cc3)C3=C2C[C@@H](c2ccccc2)CC3=O)c([N+](=O)[O-])c1	8456011	DWDJYCSLUMMHKX-PBBNMVCDSA-N	552.656	6.414	50	40	KKGB	
C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1c[nH]nc1-c1ccc(Cl)c(Cl)c1	15930308	BYDSAPYANUCUHE-ZTCTXGLISA-N	509.393	5.880	50	40	KKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)NN=C3CCN(CCc4ccccc4)CC3)c3ccccc3n2)cc1	20573330	AVKYXAKOKFXOTA-DEOSSOPVSA-N	504.678	6.840	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl	59101783	VNNBELWNTDPNNE-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	59104900	XTSQMWXFVDLVES-MOSHPQCFSA-N	516.960	5.244	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc(Cl)c1	59255717	ILGNOYKWSFUHJM-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1OC	59646906	GNTKHRZWQFQCKL-BIZUNTBRSA-N	578.090	5.825	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1OCC	59652686	LEUKTRYYTVROBD-FADJLKOXSA-N	618.155	6.771	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccc1Cl	83311696	JVJDSRKDRAVKBN-RGXNXFOYSA-N	520.976	7.137	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	97950410	RWGYBIZPHIJNOF-NDEPHWFRSA-N	536.682	6.608	50	40	KKGB	
CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C(/CNC(=O)c2ccc(F)cc2)c2ccccc2)C1	97962779	HRLKTNYVEXRYMB-PWGGGZQFSA-N	522.665	5.065	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C(F)(F)F)cc3)n2-c2ccc(OC)cc2)cc1	97990105	NZOVJQPBVRJNLQ-MNDYBZJGSA-N	541.555	5.213	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2Cl)=C(C)N1	98048670	GGGPKYWWUYOKDD-AREMUKBSSA-N	583.497	6.692	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C(C#N)[C@H]2c2ccccc2)cc1	98048908	BIZVZUGNQOTUOD-MUUNZHRXSA-N	620.653	6.589	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	100062763	UQZPKIHZRGBMFK-MXAYSNPKSA-N	547.203	5.392	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	100221088	CIQSSFHXCBPHKX-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Br)s3)nc3sc4c(c3c2=O)CCCC4)cc1	100852581	VAMZVMINJFDRKQ-ZRGSRPPYSA-N	573.563	5.701	50	40	KKGB	
CC1(C)[C@]2(C(=O)N3CCc4ccccc4C3)CC[C@]1(C(Br)Br)[C@H]2Br	100869364	DILNGCNUERXJDL-NIKGAXFTSA-N	520.103	5.257	50	40	KKGB	
O=C(N/C(=C(/Cl)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	102300842	MTQOWCGSERTGPD-QOSDPKFLSA-O	585.516	8.222	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1C	102607271	FWBRFLDQLLDLRV-RUZDIDTESA-N	506.071	7.234	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1Oc1ccccc1[N+](=O)[O-]	103756994	KEKUXBLUQARCNS-PNQUVVCRSA-N	527.377	6.197	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2ccccc2c1	103883505	VBSMRKHUIMTOFQ-IMRQLAEWSA-N	582.498	6.446	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	103884711	PPDYQAMJULYALP-OOAXWGSJSA-N	552.631	5.557	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	105586067	ZOXQELVBHIWRCZ-AJBULDERSA-N	543.645	5.172	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C/c1ccc(F)cc1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	118917117	LYGIRJHOSGMNLO-KGYYGYNRSA-N	512.710	5.683	50	40	KKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](Br)C(=O)[C@@]21C	123353757	MHOABUMAFPMXIQ-CSXKHLHNSA-N	525.524	5.719	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1	150368811	DWHNSIUODLPJOZ-LPEPFOFCSA-N	654.359	6.373	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1cccc(I)c1	211040208	HGGAUSGRIUTOBH-WGOQTCKBSA-N	581.863	5.065	50	40	KKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3cccc(I)c3)cc21	223505347	ONYSOPKSFPWJFD-VULFUBBASA-N	501.412	5.774	50	40	KKGB	
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)/C=C/C1=O)[C@H](C)C[C@@H]2OC	299872185	QVYCOOQDKQYLJT-DLLYPBFYSA-N	792.451	6.525	50	40	KKGB	in-vitro
CCCCC/C=C/C/C=C\CCCCCCCC(=O)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC	299888239	BDTYMGCNULYACO-QUCAKLDXSA-N	542.889	11.683	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543758	SVFJWZLNWGDAPX-NVMPUMLXSA-N	536.632	5.455	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1	408554266	RFHSLUSFFDANFJ-LICLKQGHSA-N	514.796	6.518	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408569152	MBUCZFVUBPLVCX-FDAWAROLSA-N	593.727	6.309	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OCc1ccccc1Cl	408610870	UUZIIMLJTGNXGS-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1	408642658	NQSJQPKJTFGDOX-XPGKHFPBSA-N	732.809	5.730	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408689699	YWJLSERXWOVPBM-LBCGREOCSA-N	646.119	5.237	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccc(I)cc1	408711724	HSVVBCSQKPNPTD-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccc(Cl)cc1	408723283	PWJHQNLRMVWNRQ-NSXLFHFSSA-N	566.444	5.960	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408742586	BBYNITASYAOSPT-NVMNQCDNSA-N	593.248	7.040	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)COc3ccccc3)c2-c2ccccc2)cc1	408743677	UGBZGHNMBGMZDA-PPFNPFNJSA-N	515.613	6.739	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408744995	OPMXNPCZAZTMBM-ZDLGFXPLSA-N	560.673	7.298	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408745039	JHCGHIOCGWAEHB-RIYZIHGNSA-N	620.743	6.108	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408746639	UOLGATLTZFAPEG-YVLHZVERSA-N	579.221	6.731	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408749436	OOQLNHYVBKUFIC-RPPGKUMJSA-N	597.101	6.326	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)cc1	408767516	YBNNZBVOGPTYOO-GZTJUZNOSA-N	576.266	5.833	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408776439	OEAOFRUZNWXKSJ-HMAPJEAMSA-N	546.421	5.013	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc2ccccc2c1	408798810	XDSCGWBYOJTMLH-CVKSISIWSA-N	555.472	7.743	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1	408809056	HMMZYSLKJDDCPS-ICUTVXMZSA-N	655.536	7.799	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)Nc2ccc(OCC)cc2)c1Cl	408815815	SGOCYSBEIFAGCC-LGJNPRDNSA-N	505.358	6.061	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c(OC)cc1Cl	408825104	AFPNJYOYGJDUHS-CIAFOILYSA-N	577.862	7.398	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1	408826566	JVJZAGOZRIJTOR-PGMHBOJBSA-N	566.466	6.523	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	408829172	OFNPNFHRYXWDLC-JBCPZZPVSA-N	568.320	6.974	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Cl)cc5Cl)cc4)cc3)cs2)cc1	408837845	AAMIKBAONMNOMB-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	408840200	BVHZALRSPMXIFE-RVDKCFQWSA-N	597.421	7.623	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCC#N	408841992	HOMZADZGUAXLHI-IBBHUPRXSA-N	610.921	7.035	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4cc(Br)cc(Br)c4O)c3C)sc3c2CCCC3)cc1	408846239	PRTMQBJKCZSCDX-ROPCREHHSA-N	684.454	7.590	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1C#N	408849612	XDQUCLSWOXUMBD-DBFSUHOCSA-N	630.236	6.023	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)cc1	408853914	ZSRDHMMBLMGZIE-IPHFVPNQSA-N	625.510	7.709	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OCc1ccccc1	408869952	RIAKBLHANGGTQK-ZCTHSVRISA-N	608.514	5.626	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1Cc1ccccc1F	408871846	YEOZPTGDDJHROK-RQZCQDPDSA-N	580.319	6.594	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c(OC)c1	408876423	OXUDUAUEFMRCBR-CNHKJKLMSA-N	566.268	7.120	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2)cc1	408887946	VFNDVFMHFGLIOP-MHWRWJLKSA-N	532.361	5.523	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OC(=O)c1ccc(OC)cc1	408888166	SWLNXLDKPABYEX-PXLXIMEGSA-N	571.427	6.774	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1	408925937	VCDZXDLUOZWCQX-YBFXNURJSA-N	507.804	7.925	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OC(C)C	408937432	GOCAZPGFVBCLLC-MNBJERMJSA-N	502.014	6.666	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408953178	LQWGVINRSYVQRD-JCJNOXTJSA-N	750.430	6.072	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1	408971318	FXYIGBHUMOUEJM-IHJBDFEVSA-N	833.292	7.102	50	40	KKGB	
N#CC(C#N)=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408992029	QBQRDMGVWNMUBC-QZTJIDSGSA-N	515.576	5.466	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409005382	IFDMFZKLVLBLFF-DLJVCBHFSA-N	635.676	6.940	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cc2cc(Br)cc(I)c2o1	409014059	ORUSKZRFYJDMCZ-OPVMPGTRSA-N	659.028	6.495	50	40	KKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)cc1	409018997	ZWSPXIABHCOGCZ-UVHMKAGCSA-N	590.259	6.534	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(C)cc4)c3C)cc2)S(C)(=O)=O)cc1	409027880	UUGJTJGSDDWIJI-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
C=CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409031762	AYNJYWSQUAHGNB-WKULSOCRSA-N	523.445	7.189	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409032978	JZYZZPDZWMYJJL-DLCNMLRHSA-N	743.770	8.107	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-]	409036043	KBCGVWBSRAAIRW-LQKURTRISA-N	529.350	5.348	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(Cl)cc(Cl)cc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409039959	RTZCMIGLOZFJMM-ODNPBWNPSA-N	598.486	7.728	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccccc1F	409045408	PLYXQDYXGLPTSE-IPHFVPNQSA-N	515.588	7.112	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)c1nc2ccccc2o1	409084241	APPYTZNEUGDSBV-NTEUORMPSA-N	530.256	7.374	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C	409086980	SJCBMMZSMGXUCS-LICLKQGHSA-N	515.875	7.222	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409092525	WSTQCYOQYQLJGZ-LICLKQGHSA-N	533.300	7.631	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(F)cc1	409131065	JNFWUYURZUNERO-AREMUKBSSA-N	598.513	5.949	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(Cl)cc1	409190245	QORPTNLVKGYLRL-YPXUMCKCSA-N	591.514	7.515	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	409207601	YIZLJYORLGNNMH-OEAKJJBVSA-N	541.608	5.699	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409230905	HHFBJGZLSLXMMV-XKZIYDEJSA-N	550.409	5.601	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1ccccc1	409250577	XKHIPRDLUJYROW-WBRURWICSA-N	587.255	6.417	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409253584	ZWYMNTOCFKLBJL-NVJOKUIPSA-N	540.216	6.175	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	409315460	IVVAUYIYPLPXLP-UVHMKAGCSA-N	660.677	5.830	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OCC	409321359	GCMLRGHZFBPRAF-DICXZTSXSA-N	542.386	5.498	50	40	KKGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C(F)(F)F)=C2C#N)cc1	409324916	WINYNWIKZGWZKT-OAHLLOKOSA-N	540.361	5.187	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409325220	XWVFDGMXQQVEJQ-AQLQTECXSA-N	671.366	6.356	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409325397	YKDHBPKCPHNPRW-QDTIIGTASA-N	519.432	5.196	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409365088	SOXXNPNPEXIBSR-WOJGMQOQSA-N	585.373	5.311	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1ccc(Cl)cc1	409372735	IEMYLKGLCZSFAY-WCMJOSRZSA-N	614.867	6.848	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1I	409373993	WSJHRUXZTOOKRT-DHRITJCHSA-N	612.205	5.386	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	409375876	QJJFDADPZQKIOZ-LICLKQGHSA-N	559.928	5.939	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386026	NJADRTULWRPXQK-LUOAPIJWSA-N	623.710	7.331	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2OC)cc1	409387261	PCTYUASCBKZTGI-WKIKZPBSSA-N	591.256	5.010	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccco1	409394754	FKHKRTKBBKAACF-UHFFFAOYSA-N	641.703	7.589	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397895	PGEYUYUBDJSDGE-UHFFFAOYSA-N	588.063	7.942	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)o2)cc1	409404977	ROWGBFDYHWXTCF-HQDYHJHZSA-N	643.494	7.280	50	40	KKGB	
O=C(CNC(=O)[C@H](CSSC[C@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1)Cc1ccccc1)OCc1ccccc1	504065292	SHIRAPUEIHEARH-HEVIKAOCSA-N	684.880	5.805	50	40	KKGB	
O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1	1874096	XDSJBFGEDXKXKS-ZCTHSVRISA-N	584.499	6.732	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1cccc2ccccc12	1875141	JIFPAHTZGKXHIY-JFLMPSFJSA-N	500.674	6.379	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccccc1[N+](=O)[O-]	2188102	NPGJYUZHGUQRGH-WPWMEQJKSA-N	510.535	5.351	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	2670809	ASWSRCYVLSYVQD-MHWRWJLKSA-N	525.373	6.755	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1	3255515	KFAPXNJMUZFJJO-MFOYZWKCSA-N	502.195	6.881	50	40	KKGB	
CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12	4480872	DHCQBLBAHFYIQF-MTSMNVCVSA-N	578.532	6.076	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)nnc2-c2ccccc2)cc1	16226375	SOVAOFLOFMQFBR-MZJWZYIUSA-N	512.422	5.492	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1ccccc1OC(C)C	22843057	ISUHPVPFAGUOIK-LQNQUEJISA-N	518.411	6.311	50	40	KKGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)s2)cc1	30735495	QGSKEEWOTOMWBN-DICXZTSXSA-N	520.705	5.960	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)N1CCN(c2ccccc2)CC1	59333379	RNPFWROEHNTGRX-JWGURIENSA-N	520.402	5.423	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2-c2ccc(Cl)cc2Cl)c(OC)c1	97944470	GMQVRJZKTCUPMT-OKCVXOCRSA-N	611.515	5.017	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	97951909	SPLIVXPCCPVJRQ-XMMPIXPASA-N	546.476	5.559	50	40	KKGB	
CCCCCCCCCSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	98048867	BBVOXTXMSWAOJW-NDEPHWFRSA-N	503.712	7.514	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)Cc2ccccc2)cc1	100070333	FAQMUJBYODPAJU-FZPRHHONSA-N	626.566	5.701	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F	100119411	GVPHDNWAHBMIEY-DPNNOFEESA-N	568.621	5.843	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	100129816	FODSILBERVHRBK-APTWKGOFSA-N	597.568	6.093	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Cl)c(Cl)c1	100959990	UWEBXEKYTSFVIF-KSEXSDGBSA-N	517.916	6.423	50	40	KKGB	
O=C(O)c1cc(NC(=O)c2cc(SSc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccccc3c2O)cc(C(=O)O)c1	100988521	HPJFJRCWFZIDAW-UHFFFAOYSA-N	581.540	5.810	50	40	KKGB	
CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)COc3ccc(Cl)cc3)c3cc(Br)ccc32)C1	101559886	HFLOZBHUTHHYSO-OILFOJDRSA-N	573.919	5.207	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1	101563482	MFALNDZTVILKCR-DEOSSOPVSA-N	552.494	5.895	50	40	KKGB	
CCOC(=O)[C@@H](NNc1ccccc1)[C@H](c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104106196	OTIHHGPAHAOXBD-HEVIKAOCSA-N	546.651	6.003	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795420	PDNQAKHUKXVHDQ-GASCZTMLSA-N	1000.260	13.872	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	408537116	CEDCNJCIICPFMX-ONUIUJJFSA-N	583.482	7.470	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2)ccc1OCc1ccccc1	408538522	OENCDSRPJWEYGT-VUTHCHCSSA-N	532.640	7.406	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	408539190	FKYHRTOMZHVNJO-VFCFBJKWSA-N	518.613	7.097	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(I)cc1	408548968	OKUAHPQXKMHBMH-OYKKKHCWSA-N	517.366	7.096	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1	408552953	SUIZCXFITVZALW-PXNMLYILSA-N	638.143	7.390	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1cccc(C(=O)O)c1	408554720	UGMKKTHWCUBXEZ-RGVLZGJSSA-N	562.047	6.374	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(Br)cc1	408555860	YVOYUYMYCYGCCR-YBFXNURJSA-N	596.934	7.438	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1C	408569121	YWIHGSMPNWHHCA-OCSSWDANSA-N	501.424	6.491	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1ccc(Cl)cc1	408578891	BNBPVVXQDJGXMD-CAOOACKPSA-N	521.611	7.647	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3cc(Br)ccc3OCc3ccccc3Cl)CC2=O)cc1	408610829	UONWOLLFCGGCEY-SFHVURJKSA-N	528.834	5.486	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638023	BMDBSYAYMWUPIR-NFYRHNLVSA-N	756.483	7.817	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408679331	DTSOTSRRNGLVCR-YVSFHVDLSA-N	634.108	5.381	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408710759	JDUXLIROKBAWDT-LUOAPIJWSA-N	573.189	6.089	50	40	KKGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408726495	MKHPCPXOHHAXBA-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	408743161	ZMPBWJMONOAHRJ-OYKKKHCWSA-N	527.418	6.413	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)NCc1ccccc1	408746736	GINGJORCKIVOMV-GRSHGNNSSA-N	591.218	5.995	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OC	408755423	LGGAXVHRHUMBLY-JYRVWZFOSA-N	527.156	5.007	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12	408757317	YJZOLKFUWBJFCI-KCSSXMTESA-N	553.412	6.747	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccc(F)cc1	408780020	QCJLIEXLDGBVQV-JAIQZWGSSA-N	556.375	6.180	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408790139	UDAAVTZTNFEZLR-GIJQJNRQSA-N	564.252	7.602	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	408792463	KAWMIILVECWRJO-RGVLZGJSSA-N	665.311	7.298	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408795881	WLJJORZDXCOMCA-YBFXNURJSA-N	577.249	7.285	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408797018	ZVGDMINDPYQKIP-OEAKJJBVSA-N	517.412	7.670	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1cccc(Cl)c1	408799698	HOOJFWWUXGUIHC-SRZZPIQSSA-N	586.857	7.085	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408808889	GSJRBDVFAYUBBF-QJOMJCCJSA-N	556.529	8.113	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(Cl)cc1Cl	408811685	AHUGZKRKOJFKSM-MFOYZWKCSA-N	564.238	7.418	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12	408818730	OQKQEALSGYSJJI-RWRJGNQPSA-N	567.693	5.984	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1Cl	408819180	ZXNKGPQXKGEPRM-QJOVZPHJSA-N	675.954	8.062	50	40	KKGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408819662	QXAQNDSVJROSAK-XOEYNFINSA-N	611.573	7.419	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CSCc2ccccc2Br)cc1OC	408826820	DERSYJCOYHHCDN-FOKLQQMPSA-N	528.266	5.169	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408828611	NEYWSBBTNIYVJZ-SSDVNMTOSA-N	721.262	10.165	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1	408832407	SYZHMCCQCFWUTP-BGABXYSRSA-N	505.684	5.667	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838831	IZPPSQNECRVANV-UVHMKAGCSA-N	541.858	6.742	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1	408850709	CUUWVHNXDKCNCZ-OJYCWLPVSA-N	737.379	8.005	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl	408853103	YOHJICHVKFAUPF-KYHGBAKBSA-N	550.442	6.465	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1C	408855781	FDGJYDXOKJYYOY-XKJRVUDJSA-N	558.491	6.222	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)cc(Br)c1OCc1ccccc1	408862267	XURHQNAPGNJZCU-UVHMKAGCSA-N	533.875	6.074	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1Br	408884649	XYPIBIMCRPCIEY-RQZCQDPDSA-N	580.693	7.933	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)c(OC)c1	408885436	ZXYBCCGFZAYWIU-RGVLZGJSSA-N	572.374	5.250	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408891763	UYHBZKKGDTWYCW-HYARGMPZSA-N	572.415	7.034	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OCC	408894720	IWFCVZCLTNIBGW-LFYBBSHMSA-N	576.174	5.849	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2Br)cc1	408921858	COUMMRVAUSZZNZ-RPPGKUMJSA-N	585.263	5.246	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C)c(OC)c2)c([N+](=O)[O-])c1	408926760	YGXNGTGZPPSKAV-VXLYETTFSA-N	599.381	5.650	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC)c1OCc1cccc2ccccc12	408947514	NUDCUZLRPCGFIN-YTTGMZPUSA-N	638.746	5.312	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408958065	XIIIAENVZKTTBB-WLCOTJRJSA-N	711.599	6.038	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408963550	FHZBNEAYDUWFAG-RHJJNHNYSA-N	665.368	5.343	50	40	KKGB	
Cc1ccc(OCCOCCOc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	408971950	MRCSPKWVIMGDMZ-HAVVHWLPSA-N	535.438	6.086	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)O	408973790	VFANUWBMTVTOPC-BMBMXTNTSA-N	681.367	5.263	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C(\C#N)C(N)=O)cc3[N+](=O)[O-])sc2c1	408988387	DIEXRIXIURZZGB-MHWRWJLKSA-N	515.576	5.309	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1cccc(F)c1	408992605	UHJXQLPNEMAIGI-OEAKJJBVSA-N	504.989	7.039	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12	409011055	DLBYSRNQSDRTRG-ATSFVSDYSA-N	588.104	6.141	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409014105	FBGORDYSHGFDKW-KMUKQRDJSA-N	577.710	6.364	50	40	KKGB	
Cc1ccc2c(c1)c(/C=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)c(C)n2Cc1ccccc1Cl	409039055	QFWVRVDCOKWNOI-QJOVZPHJSA-N	543.070	7.939	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1Cl	409053100	KNXMRBMEZDYATD-LUOAPIJWSA-N	709.547	6.963	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl	409128815	UJKWRONNZPDNEL-RWPZCVJISA-N	503.451	6.522	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2C)cc1	409160755	ZHDNDTVMSJZWMK-KBVAKVRCSA-N	595.494	5.351	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409166723	FLJVKYMMUVUHGM-XKJRVUDJSA-N	608.276	5.179	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)CNc2ccc(C)c(C)c2)nnc1-c1cccc(Cl)c1	409188874	HBWKDYQEHKHLHW-FJEPWZHXSA-N	564.071	5.857	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1F	409190778	QTIAEXRWOHWRSU-RPPGKUMJSA-N	538.744	5.435	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409220146	YPSYUWGZROXZSD-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409220444	ZSLPXZDVSLKYBQ-UHFFFAOYSA-N	541.991	5.974	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409223319	GWWSJDBLQSWERN-LICLKQGHSA-N	599.825	5.973	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409223386	FFJTZAOJYMNRKO-UHFFFAOYSA-N	616.424	5.422	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)cc1	409255675	IJCOORUGSVMMFX-BKUYFWCQSA-N	562.420	5.416	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409258564	VLCNZBPNEKPBFQ-FDVSRXAVSA-N	585.442	5.397	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409262931	JORGZUSQFXTGQG-KULFSUQXSA-N	705.034	8.068	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)ccc1OC	409309684	KWSIDPNJBQGMOA-QDTIIGTASA-N	580.248	6.101	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409311901	CPIBWFVDWWVNIR-GATIEOLUSA-N	535.296	5.383	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	409320554	BTWRWHFGMNVHFT-WGARJPEWSA-N	573.356	5.619	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccccc1F	409324544	URUVMBSDJXBOGG-MUXKCCDJSA-N	531.378	5.347	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccccc2C(F)(F)F)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409369509	PKISBODYXGZPNO-BVMLUPFRSA-N	531.600	5.280	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409395752	RHWPXZYPLUMRJJ-UHFFFAOYSA-N	616.899	7.633	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccccc1	409395987	UUUVWXWDFBZOPK-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)o2)cc1	409403397	MOVUTQQGLZNRKW-HQDYHJHZSA-N	690.494	7.122	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3ccccc3)o2)cc1	409403768	NVSHKHOIAAEVCY-APTWKGOFSA-N	564.598	6.517	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1	1790173	KRHGHBLDTJFTJX-JSIHEXFSSA-N	567.396	5.561	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)n2-c2ccc(Cl)cc2)cc1	1814322	KLAHBYHFMDDXCX-MUFRIFMGSA-N	520.058	5.962	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cc(Cl)ccc2C)NC2=C1C(=O)CCC2	2311250	PWRWWCACFPWLCV-VWLOTQADSA-N	508.043	5.848	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OC)c1	2670150	BKPKXXROZNWDIT-DEDYPNTBSA-N	520.607	5.942	50	40	KKGB	
CCOc1c(Br)cc2ccccc2c1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1	3080016	ZBHPLDYKKPFBQN-OQIVHJAPSA-N	513.435	6.457	50	40	KKGB	
Cc1ccc(/N=N/C(=N/NC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)cc1	5580212	ONCUOZNYVVTBQD-RZRWSKPRSA-N	528.016	6.172	50	40	KKGB	
Cc1cc(Cl)ccc1N[C@@H](C)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1	8398701	WPJMQNDWTGLUGZ-PZLUAEMBSA-N	500.824	5.941	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cccnc1	97972284	UCLSNDUFVMMMOM-MRUKODCESA-N	617.612	5.287	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)ccc1OCc1ccccc1Cl	98045601	JNDSNSAVKYPCST-MHZLTWQESA-N	541.007	5.059	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100124326	BACHPEJDPDLZPR-STBIYBPSSA-N	566.039	5.001	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	100143331	SJWGWXHSURXUFE-GTWSWNCMSA-N	593.547	5.240	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(C)cc2)cc1OC	100304111	NPLCLAVKNGXDFP-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332291	SLOCWIIEORPSTG-FDAWAROLSA-N	625.545	5.219	50	40	KKGB	
N#C/C(C(=O)N1CCOCC1)=C1/SC=C(c2ccc(-c3cc(Cl)ccc3Cl)o2)N1c1ccccc1	100918209	CZRZQRIEWAIXRO-QOMWVZHYSA-N	524.429	6.399	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1	100989473	NVPXHUUZKUUNFB-IVYNLYIOSA-N	573.299	6.821	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl	101305454	XBDLPMNYOQGMSV-AREMUKBSSA-N	578.521	7.070	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)c3ccc(C)cc3)=C(C#N)[C@H]2c2ccco2)cc1	101695269	KLMLFMHXCRCLHC-MHZLTWQESA-N	541.629	5.716	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889468	WKQSZOVTEVGOCO-NVNXTCNLSA-N	554.630	7.673	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccc(Cl)cc2C)cc1	103895519	FSMPKEQJALJHSY-MUFRIFMGSA-N	567.023	5.471	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(F)cc1	104225836	SKOSLBBXOCBCKU-QJOVZPHJSA-N	568.048	7.597	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CN(c4ccc(F)cc4)S(=O)(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	150365912	UFQJHSFKKTWZMG-IVDREZJOSA-N	652.748	6.175	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)c(C(=O)OCC)c1C	408545960	APHWQSQLKVRNTM-FOWTUZBSSA-N	549.630	5.749	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(F)cc1	408568467	JJYSUZCUMVTTBA-MUFRIFMGSA-N	526.655	5.811	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408570247	TUCAUZPSBPDJTC-VFLNYLIXSA-N	750.849	7.136	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408639836	GIUTXKKYMKMQAI-DWLFOUALSA-N	517.384	5.058	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408642878	FJWSRGSKBSRXNA-GKHGQUPGSA-N	794.236	6.139	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O	408643106	ORZGSSMFUGKDNL-NRFANRHFSA-N	533.770	5.666	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	408659565	VYAPRKYXCDBZHG-SAIKNWJPSA-N	659.158	5.020	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1ccc(N2CCCC2)cc1	408677870	VRWROOMNSFMLSC-WKULSOCRSA-N	669.276	5.978	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1cccc(Cl)c1	408711860	NXCVNQMIUXGRQO-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408711867	OINPESZCNQVLOP-MNBJERMJSA-N	594.449	6.124	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1	408727401	WKIXAYCKZCCYLE-RQXXSLPSSA-N	583.091	8.203	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccccc1	408742955	QUCNTRJKNQDRHU-MFOYZWKCSA-N	557.198	6.244	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)ccc1I	408747549	PKOHPQQGMLOKMI-RPPGKUMJSA-N	738.101	5.852	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408753987	LKTHWRDOVJTDEH-CPNJWEJPSA-N	571.449	5.478	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(C(C)(C)C)c1O	408755431	NNWGHQUJQPZAHO-BIZUNTBRSA-N	545.636	6.198	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408763437	DXIFSBFNADYDBT-HAHDFKILSA-N	560.879	7.635	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccccc1C#N	408765425	PNBWTGOWCLIYAQ-UUYOSTAYSA-N	577.276	6.936	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccccc2)CC1	408771290	GNWZHQNMZUHFCS-JCMHNJIXSA-N	546.421	5.013	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1Cl	408777649	DYPBBNOKLGTHNJ-JCMHNJIXSA-N	613.883	5.788	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1cccc(F)c1	408788969	NKYXAPGTPSVHDH-UDWIEESQSA-N	509.375	6.420	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408792554	KTBKTXXNLFYKPJ-GIJQJNRQSA-N	614.352	5.631	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408798731	WWJUNYDAFWCXRC-LZYBPNLTSA-N	566.666	7.543	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1C	408802047	CHKXKBUYRWKNOD-HYARGMPZSA-N	501.413	7.888	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1cccc(Cl)c1	408805077	DEGHUQMENKXVLX-QGMBQPNBSA-N	593.248	7.040	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1C	408812846	PRZPFSCDHWPAFW-PXLXIMEGSA-N	501.413	7.888	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C(C)C)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408831121	PRPXGKHJIWVGMY-DLCNMLRHSA-N	641.577	6.498	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408831822	WUSMTSPJEZNAEB-XJECJHNESA-N	721.457	7.006	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccc(Oc2ccccc2)cc1	408832365	WNVZIGDRELJUDX-BIZUNTBRSA-N	607.088	5.066	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Br)c3)o2)Cc2ccc(Cl)cc2Cl)cc1	408836441	REOPMMZDMSBFDD-CNCDYAKUSA-N	678.392	6.137	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCc1ccccc1	408837205	ZZAPSBWOARRRIN-ULJHMMPZSA-N	546.048	5.547	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1	408838859	JIONRXGEXNAHRS-XZYGTATASA-N	597.140	8.257	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408841427	KBVZCCHSPGSEOU-VUTHCHCSSA-N	507.656	5.136	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408842878	LNKITJCKRVATNZ-WCMJOSRZSA-N	579.078	6.312	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408843927	HNYPVKSBZILJBU-TWKIEXGSSA-N	541.117	5.348	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	408848525	XCHOPOVFPXCXEB-AMVVHIIESA-N	555.538	6.086	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C)c1OCc1ccc(Br)cc1	408853432	SGWHHSOIODYPDM-YNFMAFFXSA-N	564.358	6.265	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccccc1	408855170	CWWOWSVHIQLKBH-UDWIEESQSA-N	570.281	7.043	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc2ccccc12	408859052	VHEHTRXTBQOKQH-BVMLUPFRSA-N	563.835	7.353	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408861225	AEKKTFDFTNGYLP-SSNCBAMGSA-N	552.252	6.181	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1cccc(C)c1	408862171	FYXGXKKSCZCIHM-VVEOGCPPSA-N	587.485	6.094	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408863042	KJMGTTJJBVTHIX-KNBZMSCYSA-N	684.223	6.567	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408868814	BNKWWHIJBDHSMW-CCVNUDIWSA-N	527.484	6.037	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3F)c(OCC)c2)cc1	408877264	UQBLPPZKTRUUBB-DEDYPNTBSA-N	570.402	6.364	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OCC)c1	408905978	GTEJOBXJVSOAPN-YKDKEXQMSA-N	524.017	5.125	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922667	FVNQRLVXIJIRIR-CXUHLZMHSA-N	605.412	5.182	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OS(=O)(=O)c1ccc(OC)cc1	408922885	HJOZHPDJKUXTKO-GHRIWEEISA-N	547.416	5.714	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	408927073	XWGSITWEQBEDRF-IPPBACCNSA-N	584.909	5.541	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c([N+](=O)[O-])c2)c(OC)c1	408950202	GOFJPTLUFKITOA-KVNFINCSSA-N	730.956	5.318	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408960399	FNDNRVAXBMWKJT-XKJRVUDJSA-N	607.244	7.152	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCCOCCOc1ccccc1C	408964080	NDZGZWJDKGWIGX-JJIBRWJFSA-N	535.040	6.376	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408971136	MWBWJLQVTHXXNH-HWCXLAJQSA-N	600.543	6.216	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCCOCCOc3ccc(C)cc3)c(OC)c2)cc1	408971837	QUQPDEQPGKHUQA-CJLVFECKSA-N	537.012	5.686	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408974109	XHGOKEZPJNVWAM-UREUMPLTSA-N	558.462	5.046	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1Cl	408983924	OKMSPTLZMOWTSX-GRSHGNNSSA-N	515.824	7.479	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993311	DGBXBZHPXCGWDA-ZHSUKTGHSA-N	680.224	8.277	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409005199	DOCTZXWZIMVXNM-FZKWRIDDSA-N	582.657	5.853	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409015424	AJGPTKNPKFHVLL-CPDSRJINSA-N	584.854	6.337	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409030269	FATABBFNVLUOQL-DLCNMLRHSA-N	605.319	8.314	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1Cc1ccc(C#N)cc1	409032418	BYURDBBLOYTBLL-QLQYKETESA-N	519.608	6.849	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1	409038633	PUUQFXNFRWEZQS-DVZMCLJOSA-N	596.470	5.969	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br	409042060	XHMAIKONTISVND-JFLMPSFJSA-N	521.440	6.479	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1	409054972	WUYZTSGZVKPSQX-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1	409055685	PFHBDTLOQUQSQZ-RWPZCVJISA-N	534.465	5.042	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409083690	WAFLXSZYPVONJV-LICLKQGHSA-N	589.910	6.790	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409117274	LFHHOEHUZSPYHB-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	409118983	QVDQHMCHUGSUOH-RWPZCVJISA-N	503.451	6.522	50	40	KKGB	
CC(C)CCOc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1	409132680	LGLKWJPHIWSDPI-MTDXEUNCSA-N	605.498	5.062	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1	409150911	FOVLGNNVAFNDQH-KVSWJAHQSA-N	533.799	5.062	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cccc(C)c2)cc1	409183317	AVKKNUCQKIMAIQ-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1	409185997	UREFCEOZEOOBQK-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4C#N)c(OCC)c3)cc2c1	409187293	ONWWQDZBEFAPDF-ACXHZZMFSA-N	609.420	6.049	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(C)cc4)c(OCC)c3)cc2c1	409188230	XQIAAJCLOGQAOQ-UHBFCERESA-N	598.437	6.486	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1	409218788	KURNHRLOLQYKPC-UHFFFAOYSA-N	556.018	6.283	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409224356	JEPYVDDFKARPCZ-UHFFFAOYSA-N	665.294	6.176	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1	409224771	LRPRGFKLDAODCZ-MZFJOGFUSA-N	541.991	5.513	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409225431	QQVBNWGDAWOWBU-MEWGGAFXSA-N	568.427	6.084	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1C	409250502	MOVHLGXFROPJIZ-PPDIBHTLSA-N	515.353	5.300	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1	409252148	CCZXBDXVKBMQQR-FZKWRIDDSA-N	572.061	6.408	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl	409255902	JJABGZGRPYTQGT-NVMNQCDNSA-N	617.725	7.045	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1	409256002	NEXJCBRVCJKTPK-ODLFYWEKSA-N	627.289	5.870	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409261883	DZIHYTYKEVFNIL-MUXKCCDJSA-N	524.415	5.164	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409266395	YJEVPTGRLSWUHL-QRVIBDJDSA-N	532.040	6.536	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)ccc1OCc1ccccc1	409302470	IWFIZPYPMNPIEW-OHUYPAJKSA-N	593.905	7.423	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)ccc1OCc1ccccc1	409305330	VPCUXKKNJGPKDI-APTWKGOFSA-N	545.035	6.669	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)ccc1OCc1ccccc1	409313776	DCOKZLQGTXAXHG-KMUKQRDJSA-N	593.507	7.713	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409315012	URATTYZDPHSIAC-MBTHVWNTSA-N	617.409	6.018	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2F)cc1OC	409337020	VUAGGURKMLNQOG-MBTHVWNTSA-N	515.379	5.729	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409337533	YQKLGMLRSPFHAM-VQTJNVASSA-N	525.841	5.717	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(I)c1OCc1ccccc1Cl	409359306	BHFICAJKUYUOKM-VULFUBBASA-N	534.781	5.225	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(Br)cc1	409364735	YLLAEDJJXUSWRK-KBKYJPHKSA-N	601.520	6.970	50	40	KKGB	
Cc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1	409366160	SUGWIDUXTXMRPA-DHRITJCHSA-N	502.206	5.863	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1OC	409370836	BPMJXFPGWBCIBG-DBFSUHOCSA-N	645.359	5.123	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409372274	UVBAPGWJWHPUPW-GRSHGNNSSA-N	524.327	6.307	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1	409380410	MLSXYYQWAWNZFV-WUFINQPMSA-N	745.585	5.202	50	40	KKGB	
O=C(NNC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409381740	JKEISDVNPYHOQK-FTJBHMTQSA-N	698.899	5.196	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409394981	IJCCBYGGPOHTFC-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)c1	409395139	KHPABPRPIDETJV-UHFFFAOYSA-N	779.110	9.721	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396120	BQVLTLPGRJIDAW-UHFFFAOYSA-N	593.039	6.750	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409397990	PYUYMKGYNUUOMJ-UHFFFAOYSA-N	659.480	6.830	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2[N+](=O)[O-])cc1	409405378	TVCLXHLJIQODME-VHFSBPNMSA-N	700.546	7.027	50	40	KKGB	
COC(=O)COc1c(Br)cc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409410603	YFYFEAWAZLNWPB-AQLQTECXSA-N	614.880	5.998	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	1529549189	UUIFELMXTGJLLE-LNZKYNOCSA-N	657.576	5.466	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3OC)nnc2-c2ccc(C)cc2)cc1	1814668	OVJDJHGNQGETGS-RANPPGRXSA-N	513.623	5.167	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1	1835150	NQEXAUOXGBMGKK-AZDFISSRSA-N	504.015	5.504	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N/N=C/c1cccc([N+](=O)[O-])c1	2262557	YJLIPTGBVYBNQH-KCSSXMTESA-N	536.975	6.660	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1	2888262	HOVCOOOTDHCZQZ-IEQIIXMPSA-N	502.039	5.434	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1ccc(I)cc1	3261591	RWGXEFWAZGDDLS-SFQUDFHCSA-N	549.384	6.559	50	40	KKGB	
C[C@@]12CC[C@H]3c4ccc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)cc4CC[C@@H]3[C@@H]1CCC2=O	4823733	SFOHURGDKAWENM-NJBJSMFESA-N	528.520	6.544	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc(Br)c1OCc1ccccc1	6166688	AIVAFFNLDDMLJC-ZHSUKTGHSA-N	617.525	5.934	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	12250242	HQEMVYVYLGSHFG-QFIPXVFZSA-N	505.949	6.016	50	40	KKGB	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)Cn1c(C(F)(F)F)nc2ccccc21	12524793	UCUCHAJMIACSNN-ORBVJSQLSA-N	509.319	5.065	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12	19953389	BDGYGUGEBCYZOI-LQKURTRISA-N	512.418	5.492	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(C(C)C)cc2)cc1	59647395	NPCXNXQNQSHLLE-KEIPNQJHSA-N	549.696	6.770	50	40	KKGB	
CCCCCCc1ccc(OCCOc2c(Cl)cc(/C=N/NC(=O)Cc3nnc(N)s3)cc2Cl)cc1	97958135	ANCFELWBFAYCAT-MUFRIFMGSA-N	550.512	5.701	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1cccc(Br)c1	100120123	KDMSSIXVUBJBIX-FADJLKOXSA-N	583.574	7.075	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1	100216436	PAHMOZCQGFRHGX-KVSWJAHQSA-N	548.271	6.679	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1	100239957	GPRBMEMADYAZOM-UZWMFBFFSA-N	558.704	5.455	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccccc1	100287668	KQKHKXMOSDFSIN-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	100405781	WXBGFBRWGGSOLO-FABQOPTDSA-N	616.017	5.924	50	40	KKGB	
O=C(COc1cccc2ccccc12)N/N=C/c1cc(Br)ccc1OC(=O)/C=C\c1ccco1	100507764	YLGRHNDQYCHPJX-QOZYQOSQSA-N	519.351	5.343	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(C(=O)OCC)cc3)=C(C)N2)cc1	102808677	VBHQTEBNIZRQDU-SSEXGKCCSA-N	598.725	6.505	50	40	KKGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	103895623	XNSIJKDVZOJSHI-WEMUVCOSSA-N	540.645	5.195	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](OC(C)=O)[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)C[C@H](Br)C(=O)c2ccccc2)C1	118925369	GYYWEVBPOIFQGP-GLRBDBCGSA-N	615.649	7.791	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](Br)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C	123219452	KFRQNXHOVDCRIV-ZEQHCUNVSA-N	530.473	9.245	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342037	NLKSRUZQKKYTGV-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cc(I)cc(I)c1O	150457664	IASJNFVQGVEECD-QPJQQBGISA-N	702.790	5.641	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164699176	FNJZMZUKNORFIX-ONUIUJJFSA-N	678.368	7.042	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795484	OSRUQXWGNODIGK-BGYRXZFFSA-N	770.356	12.011	50	40	KKGB	
O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1cc2cc(Br)cc(Br)c2o1	209533475	MNFBOZKMPFULHZ-BHGWPJFGSA-N	509.173	5.461	50	40	KKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](OC(=O)c6ccccc6)CC[C@]5(C)C3=CC[C@]12C)OO4	257349574	OZOBOQMZNAZDEM-UCMGWBGTSA-N	530.749	8.258	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408544478	WJZPFYZARJIUJT-JJFYIABZSA-N	700.270	6.872	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1Br	408546912	OSWKIQASOJYICO-GZTJUZNOSA-N	546.439	5.456	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408551187	MCBDTPVBJXRMAB-KSEXSDGBSA-N	553.283	8.951	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551241	JRKPBJUFXBRWAR-FTCYSYDXSA-N	540.325	5.802	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408570233	SWIYCQTXXOABSL-CCVNUDIWSA-N	533.502	6.580	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1	408581669	YOYAOFWFXPDBHR-CAOOACKPSA-N	552.093	8.470	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408639072	FAKITKHRRFJTQC-TVFCKZIOSA-N	696.017	5.918	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408639222	FDSSKOYLFPPXDE-NVPYSNMXSA-N	719.770	6.203	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408647204	UUBJBKVLZUMRDU-KIHHCIJBSA-N	747.780	5.630	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(F)cc1	408710799	LGGFGVGXXPWHAF-OPEKNORGSA-N	551.166	5.602	50	40	KKGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408719615	HMQKIAZJOSZUAY-KKMKTNMSSA-N	538.294	6.718	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Br)cc1	408734464	GONWVOXRSPNOQR-XDHOZWIPSA-N	511.803	6.626	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1Cl	408734810	KCTYNLCCTQAEKM-PXLXIMEGSA-N	543.048	7.661	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1cccc2ccccc12	408745812	VSUQYONCEBVOMM-FYJGNVAPSA-N	592.287	7.498	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)ccc1I	408745967	BQTGLROJFBCXNU-AMVVHIIESA-N	649.710	7.212	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(C(=O)O)cc3)cc2Br)c1	408747078	ZCWGRANSFNHYQK-JAIQZWGSSA-N	551.393	5.679	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br	408747132	JKKDRUSXBDECBQ-QPEQYQDCSA-N	587.062	5.462	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(F)cc1	408751806	CMCQZDGFUWNIIU-MFOYZWKCSA-N	560.217	6.484	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccccc1F	408753404	IPYMJZNKEZLCDT-MFOYZWKCSA-N	607.217	6.326	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=C2C(=O)Nc3ccc(Br)cc32)cc1	408775717	KIIXEQCOFRXDEJ-UHFFFAOYSA-N	637.943	5.893	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)cc1Cl	408778647	JLWNGWLFUUQMKD-BIZUNTBRSA-N	542.060	6.300	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(I)cc2)c2ccc(C)cc2)cc1	408785288	YASXZKLZXUTZJJ-NLRVBDNBSA-N	593.512	5.057	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408794701	AYKBMYNRCOQESQ-HKOYGPOVSA-N	547.452	8.189	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1	408796497	OJNKOGCGPGBEJG-LPYMAVHISA-N	530.378	5.622	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408818135	XZLRCNZNAJDAIG-KWQVAVEISA-N	724.426	9.106	50	40	KKGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408823243	DMFKUIXJXYAWGF-FZPRHHONSA-N	643.549	5.773	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc(Br)cc1	408823456	DJCPBTUIWQIQCX-YZSQISJMSA-N	583.482	7.470	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Br	408824279	HTCJBEKSTSLZET-WGOQTCKBSA-N	672.406	9.921	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OCc2ccc(F)cc2)c1	408827853	KVYCARPSWQQWOS-LFVJCYFKSA-N	587.445	7.300	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408829942	NKDIEGKKHPPLHS-HZHRSRAPSA-N	574.420	7.605	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408834441	UYDSKYKPSVAQNW-LFVJCYFKSA-N	618.325	7.915	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408835364	XHVMRDGVMOAGNA-JJIBRWJFSA-N	529.423	7.697	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408838610	YFYOECAPASJIIR-OKCVXOCRSA-N	572.470	5.916	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408840102	XODKSKZDVQMXKJ-PUHLOBNQSA-N	756.816	8.223	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1ccc(C)cc1	408846133	QSPLPABHDOSLAJ-XJECJHNESA-N	662.009	8.630	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(O)c(I)c1)c1cc2cc(Br)ccc2o1	408855846	FVGMDXGEDJEIBO-SCDVKCJHSA-N	563.971	5.032	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408857676	LPYRCWRMVGSOJC-KVAAJVFYSA-N	691.431	7.074	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408862496	KMEIBEPGBRUAAS-VMJBBSNPSA-N	568.320	6.974	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccccc2Cl)cc1	408863481	OPTDYZCEDIQXGY-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1c(C)ccc2ccccc12	408866331	HPCRNAKAJRDKRS-HYARGMPZSA-N	606.435	7.415	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	408869308	BPQQQTYIYRAXJM-KKMKTNMSSA-N	522.226	6.416	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1Cc1cc(C)cc(C)c1	408884395	UHXZZAUBYUKISL-CIAFOILYSA-N	523.858	7.255	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OCc1cccc2ccccc12	408888311	YVWNTZOIHXYZOF-LPYMAVHISA-N	746.237	8.801	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408918886	QFPXBZIVQLCNNC-AANYLDBXSA-N	530.419	5.611	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(I)cc1	408924895	PJTMRQRWWPINQM-HKOYGPOVSA-N	580.425	7.722	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408950470	KLHMASXZVZPVQA-JAIQZWGSSA-N	569.286	7.082	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br	408976333	AMIZDAOXLCUJAU-RCCHARBYSA-N	506.400	5.025	50	40	KKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c2ccccc21	408976676	BRALHTRAQVFOFL-VTUIABHFSA-N	525.612	5.573	50	40	KKGB	
COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993422	CSCGLGYSAMBKTI-ORFNQJGPSA-N	676.196	7.314	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OCC)c1)c1ccccc1	409003820	VFTKZXBTSVWKHO-CIMVZPIYSA-N	647.364	6.517	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc3ccccc3C)c3ccccc32)c1	409011044	DJXXPDHBOJMGGO-PDCOQUBPSA-N	538.692	5.675	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409012635	QZUBMDWMDRDBSS-KKMKTNMSSA-N	654.096	6.905	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	409023711	CWBJIMCJHVZCOQ-KCSSXMTESA-N	611.507	5.357	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)cc1	409026721	WCQUWHRLUZFEDN-TWKHWXDSSA-N	514.651	5.002	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(=O)(=O)c2ccccc2)cc1	409029185	ZBSMEGCVHHJOPJ-GZZLJNBRSA-N	554.672	5.237	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCC(=O)O	409032610	COYVXPCDPPVSIB-FDVSRXAVSA-N	595.393	5.132	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409033355	FAICGVGLGYCCKN-AABVJFSESA-N	607.950	8.857	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409042750	CIGWVQJYMUTQOD-CYBKKEAASA-N	531.568	5.032	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)ccc1I	409099649	RQHBDPOQBOCHSV-CFRMEGHHSA-N	522.795	5.868	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(F)cc2)cc1OC	409135081	PQRIJJJAMRDTQS-VTNSRFBWSA-N	643.535	5.359	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(Cl)cc5)(c5ccccc54)[C@H]3C2=O)cc1	409142696	FPXMAXCZNMIRKV-QJYRWMSASA-N	560.053	5.544	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)o1	409165508	YVUJTFJMPLIXAH-UAXWITGPSA-N	517.369	5.375	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)cc2c1	409186489	CRZSAXRKXZQBEN-YNFMAFFXSA-N	592.273	7.252	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1	409217751	BBNYMLXUHBLAMJ-MPOUPZGQSA-N	681.768	7.500	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409218040	GXCJSWSQJGTBLE-VCHYOVAHSA-N	554.828	5.983	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409250305	NAUHVHSOVZBZGU-XYGWBWBKSA-N	535.471	6.965	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(Br)c2)c(C)c1	409255783	IVUVLOXFGNYVEO-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409264186	NNHAOEVQXKIBMM-RQZCQDPDSA-N	548.348	6.884	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OCC	409303238	MOPJVBQCPIXGDL-UHBFCERESA-N	575.887	6.642	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409310254	STVFTTCAIFHFCH-ZMGVVAQMSA-N	708.812	6.984	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OC	409313199	NIWQGQNZSBNYTR-BVMLUPFRSA-N	574.461	5.889	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCCC)c(OCC)c2)cc1OC	409320531	QJFZWWFUUAZLOA-MYYYXRDXSA-N	540.398	5.040	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC	409322923	YPVQMJSVIAJRLN-BVMLUPFRSA-N	565.932	7.011	50	40	KKGB	
O=C(N[C@H](Cc1ccc(OC(=O)OCc2ccccc2)cc1)C(=O)NN(c1ccccc1)c1ccccc1)OCc1ccccc1	409337268	SYNKZXCCCSBWAW-UUWRZZSWSA-N	615.686	7.109	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Br)cc1	409357786	JYOITUMZXLEGSE-KBKYJPHKSA-N	601.520	6.970	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409372423	DNHIQWQCJLUDAF-ODLFYWEKSA-N	533.382	6.584	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1I	409383801	HWBAYAAYGAYYTP-QPEQYQDCSA-N	555.157	5.623	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1	409384902	FWTFHZJBMYOYRO-VULFUBBASA-N	520.523	5.459	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1	409395374	MVGIEAZXWDDGDL-UHFFFAOYSA-N	568.427	6.589	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cc(C)cc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396448	QURPLZRBPILAHM-UHFFFAOYSA-N	654.163	8.284	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc(Br)cc1	409397603	LTRUOVHZPZDPBG-UHFFFAOYSA-N	617.297	7.343	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409400171	BVCKXTRBZLGXNK-ADJDCTSUSA-N	697.413	8.687	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(I)c3)o2)cc1	409402336	JUKKRJOFIOTNDE-FDUMAKPYSA-N	840.283	9.125	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3Oc3ccc([N+](=O)[O-])cn3)o2)cc1	409409167	NOKGKUQJIUPRNK-PMNVOCJDSA-N	664.900	7.541	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1cccc(Cl)c1	1529548295	CCOVNCNHNAVCOX-AYSITGFNSA-N	706.446	6.220	50	40	KKGB	
CC1(C)c2cccc([C@H](N[S@](=O)C(C)(C)C)C(C)(C)C)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21	1857795003	FXSQXRAOWAARAD-NYQVQDRLSA-N	583.778	8.015	50	40	KKGB	
C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	2096824	YJJWVAYQRWBNKF-ONLVJPRYSA-N	598.732	7.456	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CCC3)ccc1OCc1ccccc1	3669860	WLKSVHUJTTVFOB-LJAQVGFWSA-N	576.722	6.670	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(C(C)C)cc3)cc2)sc2c1CC[C@H](C)C2	6167124	AOEKCSGVYBISNM-LMEUPPPGSA-N	575.731	6.343	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCCC1	6445813	JKDIDVNIQNANCB-ZXTWZYEISA-N	612.977	7.632	50	40	KKGB	
CCc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)c(OC)c3)CC(=O)N2C1	12251041	DLAYMOYASFJYLK-DEOSSOPVSA-N	511.647	6.056	50	40	KKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C(F)(F)F)C3=C(CCCC3=O)N2)c1	13174369	LNQZFKARJOWKPT-DEOSSOPVSA-N	511.569	6.123	50	40	KKGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1	16322781	HLTXRLCFPZKRPP-UHFFFAOYSA-N	510.487	5.897	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	20763887	YCRQYEXRNOYJBE-XODNFHPESA-N	507.801	6.397	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	59201400	HDCXSVXAZASXPS-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(F)cc1	59427680	QYBAACSDMNRADP-UZWMFBFFSA-N	504.521	6.623	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1Br	59473151	SCVJUOWAAOOHNP-VULFUBBASA-N	502.865	6.225	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cccc(Cl)c2)cc1	59856294	HQHHCHGHBZDOOJ-FDAWAROLSA-N	552.483	6.461	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccccc2)cc1	98001625	DSLRNOKPZWPSRB-RUMWWMSVSA-N	557.672	5.318	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(OC)cc3)=C(C#N)[C@H]2c2ccccc2)cc1	98048538	FHLJMKINGFCLLY-GDLZYMKVSA-N	582.682	5.578	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1)c1cccc(Cl)c1Cl	100379167	MBMCGBYYLHKOGT-DPNNOFEESA-N	576.505	7.030	50	40	KKGB	
CC(C)CCN1C(=O)/C(=N\NC(=O)CCCCCCCCC(=O)N/N=C2\C(=O)N(CCC(C)C)c3ccccc32)c2ccccc21	100840562	YPMRHHVIJIPWBS-LYDIVBJWSA-N	628.818	5.934	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	100988405	PTMHMYOTGZZNGE-BKFIETJDSA-N	563.293	7.365	50	40	KKGB	
Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)c1	101075123	WRLDZXZIFQSTGM-PTGBLXJZSA-N	527.584	6.205	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)NC2CCCCC2)N1	101559344	WBEBTZKRNDVYRO-HHHXNRCGSA-N	536.097	5.961	50	40	KKGB	
COC(=O)CS/C(Cl)=C(\NC(=O)c1ccc(C)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102579667	JZMAPEXAWCUUEI-OWWNRXNESA-O	561.063	5.991	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1cc2ccccc2cc1O	103754402	OXQPBOBKSAQLPE-HPNXWYHWSA-N	595.684	7.378	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cc(Br)cc(Br)c1O	103868888	ZYEYJKZDLHEHQX-LIMNOBDPSA-N	609.521	6.841	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)cc1	103884202	IBTXOOISGZEHSP-KQWNVCNZSA-N	580.910	6.336	50	40	KKGB	
C[C@@H](C/N=C\c1ccc(N(CCCl)CCCl)cc1)/N=C\c1ccc(N(CCCl)CCCl)cc1	104077930	MJQAOIFNPCAOCI-OVGUIWKZSA-N	530.371	6.181	50	40	KKGB	
CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341271	OAFMZZLBUKLTFJ-LURJTMIESA-N	980.169	12.827	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341915	FGQWUSKFGXQYDQ-HXUWFJFHSA-N	926.512	15.112	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342023	GKVKJQHWIRLHBA-UWTATZPHSA-N	792.030	9.658	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	245232639	ZAWQUPRDFTZIQP-ASDZUOGYSA-N	561.041	5.189	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC	408538871	QWHHLGOGAQGYRK-JWGURIENSA-N	557.485	6.919	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550623	ILJUCUJQEPKSGK-CAOOACKPSA-N	642.329	7.056	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1	408640648	BHUZRCPQWKCFHW-JXYJOFSCSA-N	629.132	5.011	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408676464	JACMYLHSNDNSQL-STBIYBPSSA-N	567.440	5.699	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1ccc(N2CCCC2)cc1	408677215	QBDFAAKAYLSADD-ZCTHSVRISA-N	575.450	6.388	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(I)cc1	408712033	WTAXJJDGLRIUDG-KBKYJPHKSA-N	559.618	6.594	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408739875	BFUSKUHROHPNJT-SEBMTOOBSA-N	576.483	9.142	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1	408744093	WMJSQTRBBODUSB-YVLHZVERSA-N	546.646	6.990	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	408744306	KHMVTLDKBSOLAW-NDENLUEZSA-N	538.341	5.423	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1I	408746501	DUAJDARQWBARBE-RPPGKUMJSA-N	640.228	5.322	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccccc1Cl	408758065	GGRJITREBXJFFO-HMAPJEAMSA-N	551.868	7.354	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Br)cc1	408761816	HTDGTKYRPFVNRS-LGMDPLHJSA-N	555.226	5.775	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(I)cc1	408787865	HAUKZSKVQFLGLI-CIAFOILYSA-N	678.308	7.036	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccccc3Cl)cc2Br)cc1	408794800	JZZVGBHFBVAOHP-DEDYPNTBSA-N	555.856	7.025	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccccc1Cl	408798913	XOCDXJWMHOHANF-GIJQJNRQSA-N	618.656	6.703	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408813044	DKLFRCQGBONJKX-JMIUGGIZSA-N	552.381	5.177	50	40	KKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408823176	FBDTZTXTBMTCJP-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCc1cccc(Cl)c1	408828908	MMTIHQCGFVWHQA-QGMBQPNBSA-N	561.849	7.187	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408834684	WVOUOHLPQAGQQE-SSDVNMTOSA-N	683.342	8.376	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408836026	PHWPKPRHJKCIHU-BUVRLJJBSA-N	696.823	8.967	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl	408836507	RXOJSEKNDMMPRV-FJEPWZHXSA-N	576.889	6.395	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408838491	FSZSRHLLSRWELG-MHDJOFBISA-N	641.305	7.000	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408841281	FEYUXDJQVMOWOM-PMCRKUBMSA-N	881.249	10.946	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408841385	FNKBZJLCPUVXMT-YRJKAGBCSA-N	746.810	8.768	50	40	KKGB	
COc1c(Br)cc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)cc1Br	408843604	GLFCGBYBKVRSMU-KVSWJAHQSA-N	625.155	6.942	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC#N	408848809	USDLHDQESZTMOJ-MNBJERMJSA-N	543.421	5.890	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1cccc(C)c1	408852211	DJOWUMFREMODOP-LJUMEUDFSA-N	547.449	6.974	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408859622	OGRHFTGTBQYPQS-FMFFXOCNSA-N	556.732	5.927	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Br)cc1	408859723	YZPQLACGJMUNCY-DBSPGSINSA-N	734.432	8.561	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1F	408860262	ZLOAYZYKXDFTJL-FDVSRXAVSA-N	507.359	6.406	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	408862927	NSCQOYYQSOFUSY-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408868001	LZJAJTKHCLYSEZ-WOJGMQOQSA-N	514.192	6.487	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cc(Cl)cc(Cl)c2)cc1	408875386	IBEYTYWXDLURTC-ROPCREHHSA-N	638.404	7.362	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(=O)c1cccc2ccccc12	408883792	WRUQVSFAYGSPHH-PXLXIMEGSA-N	521.529	6.220	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1cccc2ccccc12	408886342	KDHDVWCLWQXLQL-MUFRIFMGSA-N	511.559	5.451	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccccc1C	408888426	VGZJMJBFAIVHLU-LGJNPRDNSA-N	579.232	5.714	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2cc(Cl)ccc2C)cc1	408893956	OWOARIMHUITGDZ-OKCVXOCRSA-N	570.502	5.450	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(I)c1	408897681	ZIYTWYJRNRKEOX-WUXMJOGZSA-N	576.026	5.761	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)ccc1Br	408904636	MNBLRDYQTSWQHQ-ZMFRSBBQSA-N	506.360	5.824	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1cccc(I)c1	408925243	QRSYDGXYKDSQPI-FDAWAROLSA-N	556.403	6.941	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccccc2Cl)cc1Br	408945580	LBHIGORIAIWBDM-LJAQVGFWSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1	408946341	MIRHJRYGJULEJX-VWLOTQADSA-N	587.485	5.138	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(OC)c1	408950308	GUWYWDPFUYWUDJ-QVTHKRDASA-N	799.300	6.826	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccc(Cl)cc1	408955145	STJTWWHXZNQXFM-ONUIUJJFSA-N	540.063	6.793	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Br)cc1	408983974	OZELHMXBOKCSAH-PXLXIMEGSA-N	521.842	7.264	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409019335	RCDURAUVTURCKB-AAPHRLRXSA-N	544.822	6.312	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccccc1Cl	409019504	ZLMOFEBYXAQSDT-VFLNYLIXSA-N	653.698	7.195	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	409037151	NCPDUQVSULLIBZ-OCSSWDANSA-N	575.488	6.491	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409044335	BZTOGBCSBPLKFX-CIAFOILYSA-N	503.986	5.837	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409067880	QLMZLLLDFRSSPN-CAOOACKPSA-N	624.207	7.053	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C	409077348	DVEHQNJIQLQQGI-LZYBPNLTSA-N	550.320	7.875	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccccc2)cc1OC	409132474	YBZPWNXWLOUVLA-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
N#Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc(Cl)cc4)(c4ccccc43)[C@H]2C1=O	409141507	KCBOOJAXXFPXSR-AAIMUKTOSA-N	571.036	5.107	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C	409162603	GIOMXVSLOQUYTD-XAZZYMPDSA-N	615.912	5.533	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccco2)c1	409218229	DPCPNECHHWKSAC-UHFFFAOYSA-N	611.246	6.040	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2cccc3ccccc23)c(I)c1	409228585	ZNZZALMWUQUHPN-MWLSYYOVSA-N	538.360	5.855	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1	409257561	SXLRWPVASMYLES-MFOYZWKCSA-N	603.698	6.737	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1Cl	409273346	XMLWLEVRKAUGIV-PDGQHHTCSA-N	520.929	5.210	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)ccc1OCc1ccccc1	409302752	JYCMLMSXLBUPDJ-OHUYPAJKSA-N	577.450	6.909	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1OCC	409313036	AUAFLHCZUNVXSO-UHBFCERESA-N	559.432	6.127	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)ccc1OC	409316442	QFLGOJPFXRGRRL-NTFVMDSBSA-N	591.480	5.095	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)ccc1OC	409326989	PPXBQTCWLLYQRH-UHBFCERESA-N	631.467	5.187	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409355163	BVUIFPPHGNUAMR-RPPGKUMJSA-N	562.218	5.261	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1OC	409362423	JKANULWWRFHULF-VYYCAZPPSA-N	517.807	5.392	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1	409363611	MPBJKNMJRVLGMG-VYYCAZPPSA-N	530.260	6.100	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)[nH]c12	409396224	XEMRXRWGWSTXPF-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C#N)cccc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396361	NNECOEHYKYIUOY-UHFFFAOYSA-N	651.119	7.539	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)cc1	409396639	ZOWKDZGYSHGNKX-UHFFFAOYSA-N	532.600	5.893	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(C)=O	409397700	MYYFKLHYFVJJID-UHFFFAOYSA-N	616.457	7.059	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(F)cc1	409401865	IKYXIKJPDIJBJY-KOKCXWAISA-N	669.666	6.494	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccccc3Cl)o2)cc1	409402218	JDSUBJVDWMYRFO-QMRORBIVSA-N	677.939	7.933	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccccc1F	409403488	NDTOHNLXZMBLEG-ADJDCTSUSA-N	725.409	8.282	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409403766	NVLSEJPKYMIYPT-GZOMZLSJSA-N	767.020	7.704	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	1529547870	QHBHWLHMDHWKID-ZBVWQCQISA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)c1ccccc1OCc1cc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)ccc1OC	1270023	ZMUAGZLRGNXAHH-VPUKRXIYSA-N	551.814	5.152	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1	1474731	RUJGYZHHNHQNHR-OCSSWDANSA-N	508.607	5.042	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1OCc1c(F)cccc1Cl	1783718	ATYLNCCRFWQOKT-YZOBSOIESA-N	569.058	5.428	50	40	KKGB	
COc1cc([C@H]2CC(O)=NC(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)=C2C#N)ccc1OCc1ccccc1	1810330	HYTIIJCSBUVIMS-MUUNZHRXSA-N	591.689	7.617	50	40	KKGB	
Cn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)nnc1-c1cccc(Br)c1	1873757	ZVHNHNVAKPNHIR-CCVNUDIWSA-N	570.900	5.719	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)nc3sc4c(c3c2=O)CCCC4)cc1	1886472	VISJSNVMBJPXQZ-XODNFHPESA-N	568.080	5.438	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)c1	2312415	SURMKUIHFHMFEH-SSEXGKCCSA-N	535.669	6.375	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccccc3)C2=O)cc1Cl	2671103	PLEAXARKLZCZFL-IDJUBOEBSA-N	502.039	5.434	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3F)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9762453	FOEWDSOLRUVZTR-LQNQUEJISA-N	501.631	5.922	50	40	KKGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1	12251104	DPOFYRDDTVPNJA-AREMUKBSSA-N	516.066	6.701	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1	13573678	MGQRTDVVYNJXPE-VUTHCHCSSA-N	520.010	5.478	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N1	20025865	CTGCXHLMSSVEEC-RUZDIDTESA-N	526.058	5.160	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	20348684	QQWIVYRIWGASPU-MUUNZHRXSA-N	526.637	6.149	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1cccc(Cl)c1	28216930	SWKJINFNFXNMCO-OKCVXOCRSA-N	508.474	7.457	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	30738487	ZESMHPARGCRFBX-CRNOCTGHSA-N	529.593	5.764	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(Br)c1OCc1cccc2ccccc12	33729640	PXRZHPCCZZJQJL-MWLSYYOVSA-N	519.395	6.050	50	40	KKGB	
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H]3C[C@H]4[C@H](CC[C@H]5C(Cl)(Cl)[C@@H](Cl)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	70664985	ODWXWMUBXIPATR-GSYHWOJTSA-N	502.998	6.738	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccccc1Br	97960840	FUSJFCWPEJIXIK-LSHDLFTRSA-N	514.626	6.373	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1c(O)ccc2ccccc12	97965362	AIUBHJPRPUXKTK-MNDYBZJGSA-N	548.455	6.342	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1	98001357	LWXBFAMELHBYNL-LUOAPIJWSA-N	689.980	6.485	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F	100125961	XUJFGLMJRYBZQR-OCSSWDANSA-N	583.483	5.341	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	100239891	BGAXCKPHYALGAJ-BIZUNTBRSA-N	594.734	5.699	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1	100336360	RSMUCTBVKCLVGE-ODLFYWEKSA-N	558.803	6.386	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(F)cc1)c1cc2cc(Br)ccc2o1	100415429	JKLSRABJAIIJOJ-PPDIBHTLSA-N	546.190	6.440	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc(OC)c1OC(C)=O	100858119	XOWGBIUSYHDJJV-WKULSOCRSA-N	572.087	5.289	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1F	101273364	RQDIPNOBYIQXRA-HSZRJFAPSA-N	542.430	5.385	50	40	KKGB	
COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC	102417706	XQXVRNMKUYUXBA-NBVRZTHBSA-N	577.018	6.605	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)c1	102588516	UBLYVFZDWVAPTI-DEOSSOPVSA-N	508.043	6.626	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(OC(F)F)cc1	102979207	XUTAKYQSZLSPTF-VULFUBBASA-N	538.370	5.005	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(F)cc1	103889865	SCNUZWYHNBGYMN-SXGWCWSVSA-N	550.211	7.028	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342091	NMVCEXYJNXPKOE-REOHCLBHSA-N	942.051	11.564	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795461	VBFNNEMNXIYYSJ-ROUUACIJSA-N	842.316	12.501	50	40	KKGB	
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)/C=C/C1=O)[C@H](C)C[C@@H]2OC	299872186	QVYCOOQDKQYLJT-UAGKKRRSSA-N	792.451	6.525	50	40	KKGB	in-vitro
CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br	408538515	OBOCCLSCIONDGA-XDHOZWIPSA-N	534.292	7.333	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408543929	QVWWQXSKXJRBRD-ZDLGFXPLSA-N	650.210	5.719	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1Br	408546680	MLZXWCZXLNYURX-CXUHLZMHSA-N	625.335	6.219	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(F)cc1	408549940	BWUWETOUUSYKOO-CFRMEGHHSA-N	502.383	7.783	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408567918	GVLTXVORXYIWFX-SXGWCWSVSA-N	553.363	6.084	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1	408611769	SDRHAIOZGWJINN-LGJNPRDNSA-N	500.780	5.079	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408637734	AXTVASFYRJNZAA-KIHHCIJBSA-N	771.673	7.028	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1	408657535	UMQCTNXKPQQTJP-GBXCKJPGSA-N	524.932	5.177	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1	408674050	XHCCMQPBZBFMHF-IAPPQJPRSA-N	587.426	6.700	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1	408743855	CBNTXPXRZQAWPB-NVMNQCDNSA-N	537.366	5.320	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408744012	DESXPONGFVXFLF-SXGWCWSVSA-N	520.185	7.020	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2F)c(I)c1	408744876	NUZKIKMDXBUZFC-ZDLGFXPLSA-N	638.218	6.468	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(I)c2)cc1	408745312	LJDKZHFPYDZGQP-ZDLGFXPLSA-N	554.340	5.153	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408745521	NFGIYQCOYIMNDW-WQRHYEAKSA-N	619.253	6.196	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c1	408745700	OJAWNFMACOYQAP-GRSHGNNSSA-N	511.361	6.215	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1cccc(Cl)c1Cl	408752692	JJMPWTKJPAPHHB-RVDMUPIBSA-N	518.334	5.215	50	40	KKGB	
N#C/C(=C\c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	408753198	IOROZGUDSNRZDW-HEHNFIMWSA-N	537.402	8.065	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)Nc1cc(Cl)ccc1Cl	408758936	VBLWYQULUWPUAV-MUFRIFMGSA-N	507.377	5.566	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)ccc1OCc1ccc(I)cc1	408772112	DBDNIWXKEPGTNI-UNOMPAQXSA-N	535.303	6.962	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccccc1C#N	408791040	SPOPWZZYAHGCIV-AWQFTUOYSA-N	583.813	6.258	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(I)cc1	408791647	AFGISNCOBJUXFQ-KOEQRZSOSA-N	616.455	7.003	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1cccc(C)c1	408793093	NHZIHTXEAANANI-WSDLNYQXSA-N	552.412	6.350	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1I	408793742	GIZLAUYPWHHZOL-MHWRWJLKSA-N	582.179	5.016	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc2ccccc2c1	408794221	INGNBEKJDPQPQG-OEAKJJBVSA-N	561.863	7.779	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCC(=O)OC	408794388	SDRTVXWYJBXAJM-FYJGNVAPSA-N	565.420	5.524	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccc(C)cc1	408794469	JHDMRVPWZWIHAZ-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408798942	XLYZBAUJRSAICO-YBFXNURJSA-N	600.263	6.433	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408803496	PSMZATCQILIUOJ-JVWAILMASA-N	597.509	7.778	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1cccc(C)c1	408807622	CZPOFKBNLJLGME-QRVIBDJDSA-N	582.438	5.809	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408821314	GBRHYVLYJONXNY-ZVHZXABRSA-N	557.444	6.422	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccccc1	408823170	DYVAFIJRGWYEGE-WGOQTCKBSA-N	583.482	7.470	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408829066	NOGNGYNDOLPMAA-XPWLVCFGSA-N	699.454	7.882	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408829851	QTYIIDOKLITTFY-WVKHYPTHSA-N	733.084	8.158	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408834250	VMCZBMPOUUGADP-IBBHUPRXSA-N	590.916	6.703	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408835773	YIPSEIRTYBRQPF-OKCVXOCRSA-N	556.471	6.050	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)cc2)cc1	408838456	FNBZJZHPDCJAIG-VTNSRFBWSA-N	635.312	6.755	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408842439	KEFKSHVEKNIDGI-OPEKNORGSA-N	507.171	5.478	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)/C=C/c1ccccc1	408842773	KSYRPAYQLWHWFC-WEPXRCGISA-N	523.545	5.313	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	408844356	NQELPVPMLAIQTA-UXHLAJHPSA-N	522.517	5.139	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(C)cc1	408846492	SPPYWVYQTLRVFS-ZHSUKTGHSA-N	589.039	7.148	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccc(C)cc1	408847600	TVELEMVRFVEEBQ-HNSNBQBZSA-N	556.018	6.283	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Br)cc1	408850341	LUOMYDFRDHOWMG-MUXKCCDJSA-N	572.253	6.699	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)cc1	408853374	RSRBODABJZFAMT-GMEAVFFOSA-N	522.652	7.777	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1)c1ccccc1	408861883	FADFROIGLLKMQG-VVNQULFPSA-N	535.669	5.896	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408871463	GSWPOICZIMLQKI-YSYOEVFLSA-N	724.983	7.363	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1Cc1ccccc1Cl	408877738	YECWFIYIOUOGQM-XDHOZWIPSA-N	542.804	6.480	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cc(C)cc(C)c2)cc1	408881957	NCTQPLFEBUNMSG-HYARGMPZSA-N	505.412	6.589	50	40	KKGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	408882199	LSARDKZLTYIQHI-ZMGVVAQMSA-N	645.521	5.084	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408885759	AHSSYEYLFCXFOH-YBFXNURJSA-N	589.895	6.431	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccccc1	408887773	UAUFQRMYDQKPLC-VCHYOVAHSA-N	556.800	6.534	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Br	408894805	IYNVSEYXZYUECE-LICLKQGHSA-N	623.672	6.840	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OCc1ccccc1C	408922636	GDYSRFSCLDLXGS-MZJWZYIUSA-N	548.808	5.995	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(C)n(Cc3cccc4ccccc34)c3ccccc23)c(OC)c1	408954757	NMKKEBGAINTEOT-SHDMMBOVSA-N	659.743	5.880	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2I)cc1	408966325	ZVBYLEYOYJWIQH-XODNFHPESA-N	538.307	5.961	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Br)cc1	408972124	SKLMFCYHFPJRQR-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC(C)C	408974065	WQRCUDLLXDYUBZ-ZZIKFIBGSA-N	679.439	6.835	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408978072	YAARGEYWOSLVGP-LUOAPIJWSA-N	580.660	5.866	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(I)cc1	408982569	HYKUEJUJKANWFB-NVMNQCDNSA-N	684.699	6.991	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc2c(c1)OCO2	408984838	SYCRHBGGZZSINT-QGMBQPNBSA-N	602.812	6.115	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1)c1ccccc1	408987198	ATRKNDPGAWSJFO-ZWFLUXFESA-N	543.605	5.622	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408989580	UCMGPEXBXCUASW-MHWRWJLKSA-N	508.874	5.811	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1cc2cc(Br)cc(I)c2o1	409020503	PYSNTJHIGCZOGV-VYVUJPJFSA-N	662.080	7.589	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	409026760	XFFQEMGBYDGVBV-BUVRLJJBSA-N	618.325	7.915	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccc(C)cc4)S(C)(=O)=O)cc3)cc2)cc1	409028861	RUADANNKJKXXCT-UZWMFBFFSA-N	541.673	5.613	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccc(C)cc1	409035455	JUHLCZUKCOJEJH-FABQOPTDSA-N	674.564	7.818	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(Cl)c(Cl)c1	409039628	XAGCZALKPJPIGE-XJECJHNESA-N	635.345	8.323	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1cccc(F)c1	409047313	TZTVCWDWNDYVMZ-HQDYHJHZSA-N	584.445	7.155	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cccc(Cl)c2)cc1	409140690	HZMFFIPIMVWILR-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)Cc4ccc(Cl)cc4)(c4ccccc43)[C@H]2C1=O	409149652	MHADHUOGTBHJHC-SYKHQLQBSA-N	621.049	5.152	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4cccc(C(=O)O)c4)c(OCC)c3)cc2c1	409187493	RDBOMAZBXQEHEH-MNDYBZJGSA-N	628.419	5.876	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Cl)cc1	409188871	BILQIHVPJQQDCU-IPPBACCNSA-N	528.233	7.252	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccc(OC)cc1	409219214	OKVYHOXBDPBFCB-UHFFFAOYSA-N	605.569	6.348	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)c(C)c1	409224264	JOGDTXLNRHVBBO-XDHOZWIPSA-N	538.829	6.283	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409224856	LBPPZVTWTMHLDQ-UHFFFAOYSA-N	687.702	5.372	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	409225682	NPOQPFASCMXMSI-UHFFFAOYSA-N	680.309	6.664	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1	409236342	FBVNWOTUVXFPBH-IWEBCOIVSA-N	540.801	6.374	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409259222	YBWUTWWWIMGWBF-UDWIEESQSA-N	564.436	5.733	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1	409266199	KEGTUXIYBRZZCE-PPDIBHTLSA-N	579.676	5.955	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409269143	FXXAUDFDNISGKY-FDVSRXAVSA-N	554.441	5.255	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409270366	DUSIECSHWLUHQF-RODHXAHZSA-N	660.583	7.959	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OCC	409310585	VWWPYKNXIYIXKI-MWLSYYOVSA-N	563.459	5.797	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)cc1OC	409312588	FPRLJTNCPHGQAV-UHBFCERESA-N	606.432	5.969	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1OC	409319226	CFSAPJAJRBHFLX-YNFMAFFXSA-N	554.257	7.217	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)ccc1OCc1ccccc1	409325278	XQTIGQHAMLDTOU-OHUYPAJKSA-N	726.480	7.040	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc2ccccc2c1	409372154	SMCRZXRBCBMCKI-CFRMEGHHSA-N	529.390	7.552	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409373865	VRSKTKPJCIZJET-OKCVXOCRSA-N	578.419	6.261	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(OC)ccc(OC)c2c1-c1ccccc1Cl	409394638	DCEWRPIRMCVAGX-UHFFFAOYSA-N	697.369	7.913	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(Br)c4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409397117	GKRRCAICOZUEKG-UHFFFAOYSA-N	686.515	6.532	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(C)C)o2)cc1	409399885	ADCBOKIUUYSZOO-MWLSYYOVSA-N	516.554	5.725	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401670	IAAKOJRBRLCWNW-JMFBUSPXSA-N	579.653	6.514	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3cccc4ccccc34)o2)cc1	409401918	IRAVGIJEFISWEA-DBSPGSINSA-N	614.658	7.670	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4cccc(C(=O)O)c4)c3)o2)cc1	409405316	SUBHMZGDNSTMPY-FZKWRIDDSA-N	563.610	6.307	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	1529548325	CPZWYJAEFOOTKC-JQJFYRLNSA-N	740.891	6.873	50	40	KKGB	
COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2	1777699074	ORSKCTIDJPPMJJ-YEWSKVMSSA-N	898.538	6.320	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)ccc3F)nnc2-c2ccccc2)cc1	1795821	NOBKWXWQJUHITK-MZJWZYIUSA-N	524.419	5.387	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	2125972	IQDWTQOPZHARRA-RCCKNPSSSA-N	514.632	6.438	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1Br	2297191	VRZFCQQOTULOAR-JFLMPSFJSA-N	536.455	5.256	50	40	KKGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)s2)cc1	2321588	PIHOKCVBHOKFLY-CCVNUDIWSA-N	542.796	6.682	50	40	KKGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OC)c1	2889932	WSPWODJXSPAFPT-YBFXNURJSA-N	527.415	5.083	50	40	KKGB	
O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C/c1cccc(Oc2ccccc2)c1	3092546	NFTWLSGJAWBYRI-RPPGKUMJSA-N	537.639	6.220	50	40	KKGB	
COc1ccc(OCc2cccc(Br)c2)c(/C=N/NC(=O)COc2cccc(Br)c2)c1	3174431	FRDSUJCSQGXIBF-LGJNPRDNSA-N	548.231	5.328	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC3=C2C(=O)CC(C)(C)C3)cc1	9089554	RHGUIGAZVAGAQX-DEOSSOPVSA-N	508.043	5.786	50	40	KKGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1	9763137	YPWOOIUOFYQNRK-JFLMPSFJSA-N	504.487	6.202	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59856269	OWEPOEMKTWZIFL-ZCTHSVRISA-N	548.064	5.816	50	40	KKGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1OC	97960471	IWAHTVOSUCAOKV-QCYUHZPASA-N	558.638	5.628	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1	97965740	RUOATYRSOXJRQD-XFDYYPNTSA-N	635.562	8.074	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999672	KELUQJCZYBAZBU-JGCGQSQUSA-N	595.721	6.380	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	98048644	GJPVZCQSEWHNMX-VWLOTQADSA-N	587.023	6.336	50	40	KKGB	
CCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1	100879105	VWFGATNEHPXURB-CJLVFECKSA-N	538.511	7.391	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	102515468	QVQUUDUHYMLCSI-RHANQZHGSA-N	542.504	5.500	50	40	KKGB	
CCCCOc1ccc([C@H]2CC3=C(C(=O)C[C@H](c4ccc(OCCCC)cc4)C3)[C@H]3C(=O)OC(=O)[C@@H]32)cc1	102804705	JYGVBDUPDUESNF-VLULACIPSA-N	516.634	6.291	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103889662	QIEFBMLSYZNBIK-BOPFTXTBSA-N	549.195	6.723	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1Br	104401900	RJJKVWSSBHVMJV-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)CCC)CC[C@]4(C)[C@H]3CC[C@]12C	118918006	FRORSYDIKBYDEQ-VMBVUWHXSA-N	505.227	9.635	50	40	KKGB	
CCc1cccc(CC)c1-n1c(SCC(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)nnc1-c1ccc(OC)cc1	159119123	OESMHIXOPHDABQ-GLJXUZQSSA-N	653.780	7.037	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538719	PRXRWLCWRQKQHT-XYGWBWBKSA-N	555.030	7.061	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)c3ccccc32)c1	408542338	KVNMAZVJPJFLPM-KVSWJAHQSA-N	585.252	5.471	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)c1ccc2ccccc2c1	408548326	GJBNRYZRWLMUEA-MXAYSNPKSA-N	512.350	6.959	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552933	SNIGYDMGQHYNOZ-MFOYZWKCSA-N	636.273	6.478	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccc(Cl)c(Cl)c1	408553348	ODKYCOLQKDVXRP-NKHVPTTDSA-N	650.975	8.295	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408554659	SPJGIRPDUIOBPC-WOJGMQOQSA-N	644.332	6.990	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OCC	408578772	ASSGYYBQJFALKA-RIYZIHGNSA-N	502.179	6.850	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408580266	NSHHXQQGCMFWDM-OVCLIPMQSA-N	577.718	6.626	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408581468	XCFCPOGJKWJIHZ-OVCLIPMQSA-N	509.267	7.785	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccccc1Cl	408586513	CIKNCRUJHJMRPG-KBKYJPHKSA-N	695.520	6.655	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408590801	QNIPJZYEKJSHBI-LUOAPIJWSA-N	589.644	6.603	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)CC2=O)cc1	408601269	AQLSAGOHPWYIRQ-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cc(Cl)ccc1OC	408606091	NUJOJPRGCZAAKU-UDWIEESQSA-N	531.012	6.322	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)c(Cl)c1	408608300	HBTJFXURTKDRHY-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408643612	PVFXCBBSVVXGNH-ODAXIHTASA-N	754.215	6.856	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1	408643939	QHZZHAOFURJTTP-MHORFTMASA-N	617.121	5.156	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1	408649657	YVBQPBVZOPPRTM-TVFCKZIOSA-N	647.147	5.164	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	408711596	AXIPSXZUJOZOKC-LJUMEUDFSA-N	690.319	6.720	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1	408711672	DXCBDQYQBDELSJ-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Br)cc1	408734991	MIJNVIKFBBWOEF-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408738819	VVZFULZSHUVBPK-ABFODGPCSA-N	764.402	6.400	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCc1ccccc1Cl	408745863	AMRLRGBILWBUEW-MZJWZYIUSA-N	564.807	5.695	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408746733	GIGSHWFGGQYPMZ-PXNMLYILSA-N	730.094	6.691	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1	408763516	PHOXPNLTTGZLJB-JVWAILMASA-N	539.407	5.143	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408791452	XSQWOWYUXSCWHT-VZUCSPMQSA-N	613.020	6.147	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1	408794178	IEDZDNJRZKDOSA-UDWIEESQSA-N	568.367	5.211	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(Br)cc1	408794522	IUAVQMZZAZWUNL-LZYBPNLTSA-N	566.666	7.543	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br	408794833	TVHHVFNPCWSBRK-DEDYPNTBSA-N	566.249	6.348	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408808205	FEQIQMLOSRPTCO-IWIPYMOSSA-N	513.550	5.143	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(C)c(C)c1	408808576	JLRHTAYNBHKXJB-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408811751	AKBLHBLTMWYVAI-ZLSVPYIESA-N	542.683	6.113	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(C)cc1	408814900	GRVAKCJPFDGRPS-QRVIBDJDSA-N	535.438	5.967	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1	408820357	XDACODIGUYLZGB-ZYVHIHPKSA-N	547.055	5.844	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408825815	JNBUMAABRBBWLQ-WGOQTCKBSA-N	627.955	9.812	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c2cc(C)cc(C)c2)cc1OC	408829241	OTNSCAIUCIZEJA-IZYHBKOJSA-N	731.065	6.670	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839626	UUYHDPYCNRSZKA-AABVJFSESA-N	635.946	8.452	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408840479	BZTHWAPJNDTRAN-UHFFFAOYSA-N	542.842	5.573	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccco3)cc2)cc1	408841851	IAXAFWFJIWOZHM-MUFRIFMGSA-N	546.377	5.586	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1	408845532	KHPAYZNLMLFNST-VHFSBPNMSA-N	642.937	7.940	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408859274	NSBXTAATSWBOMZ-OKCVXOCRSA-N	551.068	5.168	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408860847	GOWFVZPULVROCW-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(I)c1	408883791	WQZZNHHTWGXHAJ-KBKYJPHKSA-N	648.520	6.813	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408884700	YYLVOWSUKDDKBM-XICOUIIWSA-N	620.171	6.787	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(I)cc1	408897679	ZIWXGUNQNIRPGN-KPKJPENVSA-N	576.026	5.761	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2)cc1	408908808	DGVUMBZDJCSEOK-QCFMCPCVSA-N	529.640	6.059	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	408921126	DTCPRXFCNATGBK-FABQOPTDSA-N	616.017	5.924	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c1OCc1ccc(Br)cc1	408924889	PHQSYTXVPAMKKB-QGOAFFKASA-N	589.227	6.187	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408943778	IFKUJGZFAMVAEA-HHHXNRCGSA-N	672.547	5.366	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1	408957225	SUIDWBOKLIGOHN-ZMFRSBBQSA-N	550.780	5.305	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1	408962375	HVWZXWHDCSERMK-WXMAUWIXSA-N	536.164	7.662	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1	408963083	MJHYBQQFVKCYCD-VPUKRXIYSA-N	546.170	7.118	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(Br)cc2)cc1	409004508	DIEIWQPXBXMOTF-PWQQBKHXSA-N	583.438	6.359	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1	409026044	DMFZHGYMEXYKHZ-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cl	409035005	ISNVNVDXQCEJEA-NUJZUDFISA-N	508.361	5.524	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccccc5)(c5ccccc54)[C@H]3C2=O)cc1Cl	409036785	BLZYOBDTEBIAHX-QJYRWMSASA-N	560.053	5.544	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(F)cc1	409044650	WLVAMEJZPQVJSW-VIZOYTHASA-N	599.081	7.782	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccc(C)cc1	409053783	PLJQXSYRYNIXNR-UVHMKAGCSA-N	501.808	6.071	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)cc1	409064631	IKMVLJULYRZPCZ-VXLYETTFSA-N	614.246	5.821	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OS(=O)(=O)c1ccccc1	409065810	NKJIQSLUPVACQA-LFIBNONCSA-N	558.353	5.273	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409072709	KPEDVFJMJGSDEA-RCCKNPSSSA-N	524.982	6.207	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409074017	RHNCDSPWJJKOGY-XNTDXEJSSA-N	518.334	5.215	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409087274	SPPQXHNCEWROJQ-LICLKQGHSA-N	580.300	7.473	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)OCO3	409108343	WGXDKOULZXFGHM-QHCPKHFHSA-N	546.204	6.282	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(Br)c(C)c3)c(OC)c2)cc1	409151574	CGORCLJNFVLHSW-KPGMTVGESA-N	690.389	5.814	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc(F)c2)c(I)c1	409208899	DBTHZEQONYLBJA-RPPGKUMJSA-N	554.812	5.905	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409218525	JJKLOGZXNDVLSW-LICLKQGHSA-N	622.825	7.083	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1cccc(C)c1	409218550	FUWMMEWPQIEATK-UHFFFAOYSA-N	507.546	5.239	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	409228466	YZTSPVXFOHNEDY-NVNXTCNLSA-N	541.320	5.354	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1cccc(C(=O)O)c1	409230183	XIYLETORYYOCNW-QRAWFLTRSA-N	596.421	5.751	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)n1	409245619	WPXCTTYVFXCUGO-NSKAYECMSA-N	537.842	5.470	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)NCCCc1ccccc1	409249655	NUGGKMKYUQNRGY-HMAPJEAMSA-N	648.282	6.131	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409261321	AAFNLVOECKZHMF-QMRORBIVSA-N	719.459	8.169	50	40	KKGB	
Cc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c1	409263783	OGWWXMCLENREFX-RPPGKUMJSA-N	581.102	6.625	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1OC	409316714	MXNWRAPOLCDZON-UHBFCERESA-N	514.981	6.018	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1OC	409317993	TZNGWXPEPDVTPR-PPDIBHTLSA-N	582.676	6.225	50	40	KKGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(Br)cc3C)=C2C#N)cc1	409325838	BUQPXRCAVHLICY-IBGZPJMESA-N	514.445	5.175	50	40	KKGB	
C=C(Nc1ccccc1N)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	409332301	HIXWOSYIZFZPFS-VCHYOVAHSA-N	515.238	7.450	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(OCc2ccccc2)c1	409368453	WNTKVQSJVLFAMA-FZPRHHONSA-N	661.405	6.676	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1cccc2ccccc12	409369179	GPDCJNLWOQHOKM-HYARGMPZSA-N	505.412	6.109	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1Cl	409370015	JLEWHMFBRZJFGL-ZMFRSBBQSA-N	555.281	5.097	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409370598	BLARBSVRZXFKFX-BRJLIKDPSA-N	657.202	5.156	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(I)c1OCc1cccc2ccccc12	409392928	UDGZKGKTSCBMFO-OKCVXOCRSA-N	596.421	5.900	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409394675	DLQZIUANJUYJGB-UHFFFAOYSA-N	729.256	8.716	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCC(=O)Nc3ccc(F)cc3)o2)cc1	409401568	HNUFRAZLFQEYES-VHFSBPNMSA-N	615.061	6.840	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1	409409691	QCIFCUDAVQWVBV-UHFFFAOYSA-N	504.502	5.382	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccccc2F)ccc2ccccc12	1529548372	DXXMDMXXHAOCSF-ACKQVUGPSA-N	626.710	5.443	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1897388	OFIFZVIDNKFPEQ-FDAWAROLSA-N	559.692	5.500	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(C(F)(F)F)cc1	2210535	XGMCSNPFXZAIQW-VFLNYLIXSA-N	516.932	5.300	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1cccc(Br)c1	3113540	MWJAXIQXBPCIRS-RLBGMPNZSA-N	539.429	6.125	50	40	KKGB	
C=CCCCCCCCC/C=N\NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C/CCCCCCCCC=C	4742678	HVFCKNMMWXWNFZ-ZNCIJNINSA-N	506.801	7.314	50	40	KKGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)n2-c2ccc(C)cc2)cc1	6088869	MKFYAIBEWMPCLS-UHFFFAOYSA-N	626.764	5.214	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136360	CIRAHYIPODMSEK-WTZFPKOTSA-N	529.977	6.689	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2nccs2)N1	6444322	MNRIBXHTGGSGNA-NRFANRHFSA-N	507.666	5.220	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCCOc1ccc(Br)cc1	6906502	CTZOWZHSSJAWSU-CVKSISIWSA-N	503.780	5.333	50	40	KKGB	
C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1	8396600	WEHADPSLZUZOFO-AMIRUBBOSA-N	691.655	8.005	50	40	KKGB	
CCCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)N1	20150282	FFSYKCNMFCPNPR-OAQYLSRUSA-N	505.518	5.319	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1	20347876	ULLYGRDKPRTGNI-AREMUKBSSA-N	514.676	6.072	50	40	KKGB	
O=C(CCc1cc(Br)c(O)c(Br)c1)N/N=C\c1cc(Cl)cc(Cl)c1O	25692664	RWZNGYDRYPZPDR-YXSASFKJSA-N	510.997	5.013	50	40	KKGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1	83301791	XLARVWKRDWTVQN-ISAGNRBTSA-N	511.416	5.391	50	40	KKGB	
C=CCc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1	97964267	CVHBXGKQPMOQCB-OQKWZONESA-N	559.669	5.432	50	40	KKGB	
COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N	97965853	LKHYNSGUOXSUND-QNVXDBMFSA-N	666.147	5.786	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C3/C[C@@H](c4ccccc4)Oc4ccccc43)cc2)cc1	97980761	IRTFTTNSYPAMPP-CBJCEZGSSA-N	541.629	5.544	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(I)cc2)N1	97999691	XXNPJVTWQDXRBF-AREMUKBSSA-N	640.934	6.651	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)cc(I)c1O	100030291	MYZWHJDFYGQWSN-YBNVSJCISA-N	626.495	5.163	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl	100127703	JZYQWCRYMFOPRR-UXHLAJHPSA-N	551.068	5.456	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3O)cc2)cc1	100134410	QDDWJLQTPXZYDO-BRJLIKDPSA-N	531.204	5.242	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1	100228453	VWQRRUVGXBNUIQ-UNOMPAQXSA-N	558.803	6.468	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1Cl	101563563	ZJUKAKYXYPQKPA-HHHXNRCGSA-N	572.130	7.034	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc2ccccc12	102073590	CLOQJRQNOFDJKY-DEDYPNTBSA-N	616.424	6.683	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccc(Cl)cc1Cl)N2	102681475	XMQITQVBHLNMNB-IEYPPISJSA-N	547.891	8.143	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1	105081577	OTEYJBQYQRHIHH-DEDYPNTBSA-N	540.255	6.899	50	40	KKGB	
C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341162	GYYMXRPZVTUFET-VKHMYHEASA-N	938.088	11.657	50	40	KKGB	
Cc1noc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N\c4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3OC(=O)C(Cl)Cl)cc2)c1C	150393431	OPNGCYBHSAUFRE-KORGAQCJSA-N	937.628	9.933	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	164740517	LXVDQCUTIISYAP-SDQBBNPISA-N	671.056	5.690	50	40	KKGB	
CCO[Si](CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC	169808767	VXIXTPSCZIRXQF-UHFFFAOYSA-N	703.484	6.311	50	40	KKGB	
CCCCOB(OCCCC)[C@@H](C[C@H](Cl)B(OCCCC)OCCCC)CC(Cl)(Cl)Cl	195753583	NMAUTCHFJDKODI-PMACEKPBSA-N	521.999	7.897	50	40	KKGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2Br)o1	226765335	BUUFJDWMPOTOII-UHFFFAOYSA-N	517.177	5.027	50	40	KKGB	
CC1=C(C[Si](C)(C)C)C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2C(=O)N(C(=O)c3ccccc3)[C@H](Cc3ccccc3)[C@@H]12	263593494	BHVMHEAMWPWEGB-RJIGRWNCSA-N	575.942	8.209	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(C(=O)O)cc1	408541678	HCPMCQZAOWDPOJ-NVMNQCDNSA-N	558.182	6.461	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2Br)cc1	408541882	IIMOAFMEYHNVPK-OCKHKDLRSA-N	570.237	6.343	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408550935	KVIJZASOWHKBJN-UCQKPKSFSA-N	545.408	7.222	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1	408551114	BLBYLYXCCSJHIP-BCHBDCPOSA-N	555.643	6.191	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1	408567637	FXUXDMXJZSWAAM-PXNMLYILSA-N	512.766	6.770	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Br)cc1	408581793	ZJKWZUSTDPVEQE-LZYBPNLTSA-N	615.092	8.012	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408637809	BDQISGSPFXUKJQ-UJOPUZHASA-N	692.744	5.314	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408643206	FUGTWTIBVVKYBF-ZAGURGHRSA-N	622.741	5.055	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408710618	AFSQBYHPNAEHTP-KVSWJAHQSA-N	531.237	6.531	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408712042	WZFJIJITIPWVBL-MUXKCCDJSA-N	719.155	6.329	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1	408725316	FDMYQSMACCPQEH-MZJWZYIUSA-N	514.003	5.609	50	40	KKGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408736599	DMGBDEXDCMJEPZ-JFMMFFJDSA-N	551.987	5.433	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746867	WYOZXHMAMUKFHZ-NDENLUEZSA-N	643.706	7.985	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408753750	HTJLLJABHAINMQ-XDHOZWIPSA-N	571.449	5.478	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccccc1C#N	408757854	DINYKBGNQPYHSI-OCKHKDLRSA-N	522.786	6.107	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2C)ccc1I	408779372	DJLWTSPZASAUPA-MUFRIFMGSA-N	550.444	6.179	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Br)cc1	408787501	AZVHDMCKAOKNOU-WOJGMQOQSA-N	556.210	6.034	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(I)cc1	408789811	LXBSGOYCFARCON-UDWIEESQSA-N	664.281	6.728	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1	408791848	DJCIUFBOVOSFQN-HYARGMPZSA-N	519.395	6.059	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	408793137	DCGMDZUNLLBHBU-FYJGNVAPSA-N	539.415	6.693	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	408823095	DPBQXQWEBROJSN-CJLVFECKSA-N	533.422	6.537	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl	408833107	SWRANEOPZXZXQK-OVVQPSECSA-N	593.510	9.159	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OCC	408836009	PEBIZRJVFNLRAG-HZHRSRAPSA-N	592.433	6.135	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408859282	NTZNYJBOIFRWSH-VVEOGCPPSA-N	566.470	6.201	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(Br)cc1OCc1ccc(Cl)cc1	408859336	VXEAFZPGVXOPRZ-IPBVOBEMSA-N	661.572	7.075	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408861403	RPJFXGYBJVLPIQ-ALQBTCKLSA-N	655.560	5.755	50	40	KKGB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3OC)c2C)cc1	408861523	CPOZPOPQXFQTIY-PXLXIMEGSA-N	506.002	6.259	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408863236	MHJNFTJCUZJPNM-OKCVXOCRSA-N	551.068	5.168	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1ccc(Cl)cc1	408869143	RGOJBNRTIWXMPN-SRZZPIQSSA-N	632.882	6.163	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc(Br)c1	408873578	SGQIRKNSXMKHMB-STBIYBPSSA-N	566.477	5.098	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl	408878654	COKSBGDENJXJOC-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408885312	ZEXPCXCOUNLJPY-XNTDXEJSSA-N	641.135	6.287	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)c([N+](=O)[O-])c1	408885841	FUSBZQNYUJQMNB-OQLLNIDSSA-N	637.262	5.442	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccccc1Cl	408887150	MJHSHTZUMAVKOL-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408888134	XDKNVXKJFNGTBT-OQLLNIDSSA-N	548.360	5.224	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1cccc(Br)c1	408892675	CKDPAAUBLHBSRH-FOKLQQMPSA-N	564.146	5.584	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408894525	IHGCVULVNBYWPD-VCHYOVAHSA-N	567.352	5.707	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OCc1ccc(C)cc1	408895989	OTCQRKGIYHYCAD-LGJNPRDNSA-N	626.232	5.556	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1OCc1ccccc1	408898866	NFXZWMNFMOGNFJ-FMFFXOCNSA-N	516.682	6.658	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc(F)cc1	408905295	WSGYRIIETOEZOI-PPDIBHTLSA-N	542.317	5.594	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1	408923923	LFFLADDMDJSKOP-LFIBNONCSA-N	503.363	5.315	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)c(OC)c1	408926128	XSYAKMWAZXERAN-YGRCFMMQSA-N	764.457	6.462	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408951609	MAPDPYGYCONNRC-MTJSOVHGSA-N	565.386	5.756	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408963475	NZTZESAJJIXCSQ-XKJRVUDJSA-N	551.315	5.518	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	408971606	JZZRXIIXBZWDRL-WNGBFMCOSA-N	608.497	6.357	50	40	KKGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)OCc1ccccc1	408989395	KNZLZLFTGYKBMQ-UCSZFZCUSA-N	749.347	5.186	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c1C	408997076	QSLABTDNAVCVDZ-JMIUGGIZSA-N	678.264	6.336	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccccc1	408999172	SVTFDRWCELORNT-KBVAKVRCSA-N	576.834	6.338	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409006427	JGDRJBXGVWFPOL-IDWIKUEFSA-N	581.713	6.343	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409007504	WYWHBFXDYLDWIY-ZCTHSVRISA-N	548.064	5.260	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2cccc3ccccc23)cc1	409015888	CEWYNQZVJQRDIH-RLRHKQMJSA-N	554.602	6.750	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409016812	VVRLCAAJCUTYII-VYVUJPJFSA-N	767.437	8.321	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409088088	FCVNWMBLVYZMDY-WOJGMQOQSA-N	568.464	6.597	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409090425	NDVRHLWBDMLCHB-MHWRWJLKSA-N	538.900	5.902	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409091625	QSWHGBZWPGRLGL-LDADJPATSA-N	516.466	5.284	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409158459	XLNWWKWCFWIDRT-VPUKRXIYSA-N	675.694	5.366	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	409179696	RSWJUUMRGLCAMT-LUOAPIJWSA-N	538.771	5.915	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(I)cc1	409190428	MZHXZCBVBIZWRI-YVLHZVERSA-N	536.797	5.498	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409190486	OLVBNLLVEHWVCT-MFOYZWKCSA-N	538.269	6.699	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1	409200660	JINFATFPAAABFK-RPPGKUMJSA-N	568.718	6.686	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409218866	HWXSYHJDWBZZQU-WKIKZPBSSA-N	529.336	5.233	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409224373	JOWWRORCQCZOAY-NUJZUDFISA-N	557.390	5.869	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1cccc(F)c1	409242277	WNSWEYGLLZLMNM-MUXKCCDJSA-N	550.343	5.240	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl	409255330	YTLJYNSPUFGTNJ-MUXKCCDJSA-N	519.798	5.912	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)ccc1OCc1ccccc1	409261809	BQDLVEMJOPCPPV-KMUKQRDJSA-N	630.539	6.825	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)SCCS1	409262726	GQIOZZWGCTVJLQ-MZJWZYIUSA-N	594.394	6.980	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2)ccc1OCc1ccccc1	409326526	LNUSPXOWNJLPMX-MZFJOGFUSA-N	515.009	6.661	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OC	409334705	MORNOURWSQIILR-BVMLUPFRSA-N	608.316	7.071	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccccc1Cl	409368320	XUDAMPWJQDZSSJ-JMIUGGIZSA-N	526.761	6.468	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1cccc2ccccc12	409368951	UKGJOUXOIBNCHY-OKCVXOCRSA-N	582.292	7.106	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3F)c(OC)c2)ccc1OCc1ccccc1	409376834	DHEINJFRMYTRKX-AEUUOICLSA-N	606.050	6.247	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1OCc1ccc(F)cc1	409388012	ZSJJHGHBKWRDAP-OKCVXOCRSA-N	533.581	6.419	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1	409389797	ALNSERCYSFGHRJ-IBBHUPRXSA-N	599.856	6.248	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409395306	MCQFXGZUMPCBPB-UHFFFAOYSA-N	755.077	9.957	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(OC)c4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396416	PPBDMDBQFSQNMZ-UHFFFAOYSA-N	686.161	7.685	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409399328	ZNEVXXOMARQJSV-UHFFFAOYSA-N	576.411	7.273	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccc(F)cc1	409406862	XTJARBAWTYEEML-UHFFFAOYSA-N	610.642	6.195	50	40	KKGB	
C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](OC(=O)c3ccco3)C[C@@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl	504703309	MJDGUHJEIVTMQZ-QDNQUEITSA-N	615.506	6.327	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccccc1	1440870	PDPGJGYNDKECFL-QABMSTFYSA-N	520.633	5.245	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccccc3)n2)cc1	2082682	GUSFPHWNOVXEKY-WKULSOCRSA-N	512.561	5.625	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1	2234863	HEABLYYUPRSVKR-GUNDDFSMSA-N	504.011	5.804	50	40	KKGB	
Cc1cc(SCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)c2ccccc2n1	4091506	UAYGAHZNAKHTHX-MZJWZYIUSA-N	506.971	6.140	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1)c1ccccc1	28214740	ZQYUPKNRZPAHDU-VCZNVQPKSA-N	523.658	5.999	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1	28216899	RXZSBDYZLQQSDY-STBIYBPSSA-N	518.480	6.913	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	59646623	BJMJVSKDLYNFGI-FMFFXOCNSA-N	624.184	6.385	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)ccc1OCCOc1ccc(F)cc1	97980870	ZZKNBBPEHUVFED-ZSNJKBEMSA-N	645.631	6.266	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)[C@H]1c1ccc(C)cc1	98000343	DZPQKAKHPNQQHO-AREMUKBSSA-N	554.068	5.463	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	100141613	MUYGEXMCBGPGLK-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(I)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100239554	OJPTVWMAHUVLFZ-WPWMEQJKSA-N	611.889	5.079	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2OCC)=C(C#N)[C@H]1c1ccccc1Cl	101042271	NECSCLKGWFYKNP-HHHXNRCGSA-N	574.102	6.507	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccc2ccccc2c1	101373979	PWUCFONMSLVXAH-FDAWAROLSA-N	546.483	7.027	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OC	101392514	GFCQBGHRYVWUKB-XMMPIXPASA-N	533.005	6.318	50	40	KKGB	
Cc1ccc(C(=O)NNc2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	102619142	XZHXIWAWWXSOPE-UHFFFAOYSA-O	554.610	6.026	50	40	KKGB	
CC(C)c1ccc(/C=N\c2ccc(SSc3ccc(/N=C/c4ccc(C(C)C)cc4)cc3)cc2)cc1	104313881	IYISWYGRVKWAAR-NRYMNODQSA-N	508.756	10.234	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	112265128	PDAHTYLPJWOBDI-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CBr)CC[C@]4(C)[C@H]3CC[C@@]21C	118925547	VJBCNYHZXKGYLM-DVNBGNEZSA-N	509.613	8.414	50	40	KKGB	
CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341341	LGQFPIAFHBWQJI-QMMMGPOBSA-N	908.209	12.336	50	40	KKGB	
O=C(O)[C@H]1C[C@H]2[C@]3(Cl)C(Cl)=C(Cl)[C@H](Cl)[C@@]2(C[C@@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl	150384418	VVRWPUJXBANEPU-IQKQWUQASA-N	641.114	6.671	50	40	KKGB	
Cc1c(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)ccc(Br)c1Cl	150401532	JBPMOWFLFUBGDW-HAERXCPCSA-N	673.627	5.739	50	40	KKGB	
O=C(CCC(=O)Nc1ccccc1C(F)(F)F)N/N=C1C(=N\NC(=O)CCC(=O)Nc2ccccc2C(F)(F)F)/[C@H](c2ccc3c(c2)OCO3)Oc2ccccc2/1	150435059	BAZWYQPBNWINRE-JFTWNTAQSA-N	796.681	6.717	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	162477656	KDAJGCHFZAIVHR-YSYOEVFLSA-N	724.983	7.363	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccccc1	408539105	SUTJQCYCSGRDLT-IMRQLAEWSA-N	597.067	7.229	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(I)cc1	408543297	QAMVPJGRDPEBFD-GRSHGNNSSA-N	647.263	6.275	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C(=O)OCC)c1C	408546692	MWIVMKDMGZPQPO-XNTDXEJSSA-N	546.428	6.696	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)c(C#N)c1C	408547501	YLFQWLLCTDTZJH-CIAFOILYSA-N	532.593	5.940	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(C(=O)O)cc1	408551471	CYNQPFGNGPWQDD-VXLYETTFSA-N	592.471	6.093	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552057	GXXDQRVMZNBDGD-HTVDVWKISA-N	725.452	8.413	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Cl)cc1Cl	408580748	RODWXLSHZCXYCU-VXLYETTFSA-N	588.126	9.315	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408639825	GDSWRRPBPZSMSC-QYOOZWMWSA-N	752.865	5.578	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408647899	VYMUOQOTECEDAW-UCDDGIFISA-N	716.810	6.030	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408744016	DFFAJSVQMHETNP-ZSOIEALJSA-N	573.743	6.265	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408755369	KXEQGXKMLCSZNM-BIZUNTBRSA-N	611.717	5.755	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408757602	ATZLNQUTTFKXTI-SDQBBNPISA-N	517.150	5.551	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccccc2Cl)cc1	408773367	KEOMOUGPMTZNEX-UHFFFAOYSA-N	518.123	6.621	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408789228	OPAWLLMXUXPNHV-SRZZPIQSSA-N	654.258	7.240	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408792382	BCZFHBIQALGBRT-VCHYOVAHSA-N	567.352	5.789	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br	408792880	LYYQWDNVNQUSDL-WLRTZDKTSA-N	542.611	5.271	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCC(=O)OC	408794534	SMUIDBMPXXHTJQ-FYJGNVAPSA-N	565.420	5.524	50	40	KKGB	
CCOC(=O)Cn1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21	408819828	SBDHUCTZJNQWLL-MZFJOGFUSA-N	504.590	5.734	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccc(F)cc1	408820178	VWRIQPRJRVURPJ-MTJSOVHGSA-N	586.401	5.640	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OCc2ccc(Br)cc2)c1	408822423	BPJKDAQTBMESGW-VCHYOVAHSA-N	557.828	6.253	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	408827663	FRXRISMYUCLIFW-KBKYJPHKSA-N	553.196	6.016	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(I)c1	408830998	ZEOSONDMTKUBPG-ROTLSHHCSA-N	562.205	5.971	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1cccc2ccccc12	408836672	UFASJNBXTJUIBV-MTDXEUNCSA-N	623.536	9.249	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccccc1F	408839320	QPVWYLHHKFXLQN-KULFSUQXSA-N	726.999	8.692	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840215	YJWULEUENRVAKR-LGJNPRDNSA-N	511.832	6.734	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1ccc(F)cc1	408843847	NXITVIYXGJSLMP-HBHSWBPBSA-N	607.029	7.369	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(Br)cc1OCc1ccc(Br)cc1	408857920	QCUVIOYYFZEXGE-KKMKTNMSSA-N	674.127	6.263	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cccc(Cl)c2C)cc1	408861387	RKHPYMRFOCPGDR-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
COc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1	408864261	YBVMDKFIGJKOMF-UVHMKAGCSA-N	533.806	5.228	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	408881069	LOOKBEGISYOJII-OQLLNIDSSA-N	540.279	5.266	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2ccc(C)c(Cl)c2)cc1	408883612	QJSKLGGWYUHKEY-ZKZIKLGPSA-N	633.170	5.559	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccc(Br)cc1	408888515	WJKZVCULGPRKFX-FOWTUZBSSA-N	502.195	6.881	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1	408892222	YAFWNALBJMPTEZ-JVWAILMASA-N	553.058	7.669	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408892625	DBFDLOOHIJRJCC-DEDYPNTBSA-N	555.008	5.147	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OC(=O)c1ccc(OC)cc1	408896914	OXLQUVPXQYWKKB-WOJGMQOQSA-N	602.812	6.117	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1	408913352	SYQFTGYJCKLPAH-TYBAKLTESA-N	517.626	5.007	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c(OC)c1	408925451	TXBDLFLSJUOQIQ-DZRRXVOHSA-N	748.634	6.912	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1	408936907	GJBHYLGAPKFLGT-VYYCAZPPSA-N	506.356	5.285	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc(Br)c1	408970417	HPMASVYWAYPGIC-AQHZKOCSSA-N	529.262	5.204	50	40	KKGB	
O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408974026	VBXDIOTYQDGSIX-PCAKBJJQSA-N	519.432	5.463	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	408987877	PDECABCXGPLUNJ-ZHZULCJRSA-N	518.842	7.268	50	40	KKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	409019785	XESFUJNIEMNDIJ-NFUQJHLUSA-N	503.430	5.232	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)ccc1OCc1ccc(F)cc1	409023813	QSRABAVALHDGEV-NUJZUDFISA-N	508.347	5.245	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cccc(C)c2C)cc1	409027367	BIMBQUQKZOFHLI-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409036730	LVMRZQLUBIVNKK-ATZGPIRCSA-N	705.534	7.418	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2F)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	409038136	ZPKXDCLUAOOEIK-ATZGPIRCSA-N	599.416	7.055	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)Cc2cccc(Cl)c2)cc1	409054906	OJFJQDVXNRJKMO-BIZUNTBRSA-N	562.091	5.569	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OS(=O)(=O)c1ccccc1	409064253	CVGARNMTPCFTLV-RCCKNPSSSA-N	556.562	6.146	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OS(=O)(=O)c1ccccc1	409068582	TYNMSFYIFLPOPU-LDADJPATSA-N	576.368	5.430	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C	409082543	STRWYCVNKDORFU-LZYBPNLTSA-N	527.320	6.765	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1	409111114	BSSQNOCERCLXLP-ZSNJKBEMSA-N	698.194	5.698	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)C2=C1CCCC2=O	409123051	DKQOXQHHFGRWEC-OAQYLSRUSA-N	716.155	5.967	50	40	KKGB	
CC(C)C[C@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12	409150459	BXVPHJBVEIZFKH-YIMMMDCSSA-N	545.511	6.369	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	409185464	ZFRIXYAPRXVIJM-GOJREDGKSA-N	607.732	6.472	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4)c(OCC)c3)cc2c1	409187374	PPXYKJGDIQKPNM-MWLSYYOVSA-N	537.410	6.336	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(OCC)ccc4o3)c2C)sc(C)c1C	409188081	WVNYKQINYZIPHX-MUXKCCDJSA-N	507.612	5.858	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c2)cc1	409222703	DHOZONWPGSTSGX-UHFFFAOYSA-N	695.320	6.184	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	409223980	IBHIBFYSOZSJJO-LKUUSAOBSA-N	564.554	5.238	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1	409224666	LDWSPBKMZZEJQA-UHFFFAOYSA-N	666.282	6.355	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl	409227940	XTJFMKFORKRYJS-OQLLNIDSSA-N	535.214	6.863	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(C)cc1	409230883	GYTIMERMFVUYNG-IWIPYMOSSA-N	519.439	6.001	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1ccccc1	409241419	NFRSPXGZJSJKIA-IWEBCOIVSA-N	621.700	7.070	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)c1C	409258813	VMPHRPNASDSHIO-AEUUOICLSA-N	654.590	7.714	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1	409265632	NCQVJCJTMXCVGM-UHFFFAOYSA-N	615.476	8.114	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc2ccccc12	409320029	AZFOETIEZVTINI-PDGQHHTCSA-N	539.307	8.386	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)ccc1OCc1ccccc1	409320739	DYSPZKMQFGOFAX-LJUMEUDFSA-N	629.916	6.222	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409321080	FAGZHXOACATIFZ-MNBJERMJSA-N	554.043	5.708	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCc3ccc4ccccc4c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409322774	KZKAZXIXKKYOMP-XZOQPEGZSA-N	541.456	6.216	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	409373632	RNLSAMJTECGWLF-AMVVHIIESA-N	586.255	6.855	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409390617	GGFYOBSTFTYWJS-LSCVHKIXSA-N	521.213	7.937	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C/c3cc(Br)c(OCc4cccc5ccccc45)c(OC)c3)[nH]c2c1	409391991	MMDGQMHTUXXZTI-CIAFOILYSA-N	540.417	7.139	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409396928	DBAKNXXPBMTLTD-UHFFFAOYSA-N	568.427	6.589	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(OC)c4c3-c3ccccc3Cl)cc2OC)cc1OCC	409396939	DDYXELRDVRPPIG-UHFFFAOYSA-N	672.134	7.295	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397044	FNDPZINJEUCPJN-UHFFFAOYSA-N	602.441	6.581	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397293	IJOGPOUBDYTJDW-UHFFFAOYSA-N	572.448	7.524	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1O[C@H](C)CC	409400875	FTOPUJYQXFJKDV-AZXMOHGWSA-N	687.429	8.131	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OC(C)C)c(Br)c3)o2)cc1	409403811	ODFMRCKVTXJXIH-BVMLUPFRSA-N	584.898	7.233	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)o2)cc1	409404890	RGEKJIHVOMDPQW-HQDYHJHZSA-N	643.494	7.280	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)o2)cc1	409409368	OEWBVFNUTLHWGU-RHLSQQJLSA-N	683.515	7.320	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	1529546368	FNUIJAOSIGMYFQ-JYALLGCPSA-N	672.001	5.567	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	1876716	QGHHFCOWTWBWOC-BIZUNTBRSA-N	554.075	6.409	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2300856	GYFPBWQOUSNXLP-OCSSWDANSA-N	545.665	5.197	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3C)NC3=C2C(=O)CCC3)cc1	2310760	BYLWOOVUZUIPCI-RUZDIDTESA-N	508.043	5.848	50	40	KKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	2312319	FXCFWGJXPOZGHN-SSEXGKCCSA-N	535.669	6.375	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1I	3236846	MBMRFYJAVLIJHV-GZTJUZNOSA-N	549.195	6.723	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	3664406	GWAAXGIKXGBXKX-VUTHCHCSSA-N	528.590	5.063	50	40	KKGB	
O=C(Oc1ccccc1)c1ccccc1[C@@H](Br)[C@H](Br)c1ccccc1C(=O)Oc1ccccc1	4266318	KKBKVGYNEMGBDI-CLJLJLNGSA-N	580.272	7.697	50	40	KKGB	biogenic
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3NS(=O)(=O)c3cccs3)ccc21	6142010	SAJQWBWTCPOARK-WPWMEQJKSA-N	502.621	5.441	50	40	KKGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C\c2ccco2)c1C	12859318	HVFZQWPGXOGATI-ZSSQPDRUSA-N	511.372	5.115	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Br	14165879	HGJDGGWGMLNEPV-WYMPLXKRSA-N	501.406	5.148	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1C1N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1	19325349	GAPKSTPPLIFXGV-UHFFFAOYSA-N	565.416	7.993	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	28216893	KXQSFRKAWGBTDI-OKCVXOCRSA-N	508.474	7.457	50	40	KKGB	
Br[C@@H](/C=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@H](Br)c1ccccc1	59365155	JRXLDARVHCBKOA-BASWRVNGSA-N	537.259	6.503	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc(Br)c(O)c(Br)c1O	98001338	MFPFPTZSXCUZDL-IPBDZQFASA-N	680.767	5.439	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)o2)cc1	100210961	RFXHLNUSHKSYIC-IGYCOQNPSA-N	553.640	5.661	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	100379375	NDSFFLTWSSFZLY-LQKURTRISA-N	552.996	5.238	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccccc1Cl	101042259	VCJUKSGWIBTZDQ-AREMUKBSSA-N	560.075	6.117	50	40	KKGB	
CC(C)(C)c1ccc2c(Cl)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)sc2c1	102619320	MSDDJPMMSROURK-KPGMTVGESA-N	547.511	8.122	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528647	UNTTXCCAAMIBCF-LJQANCHMSA-N	612.443	10.910	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccccc1O	103754264	KLBRZJLCMFEKMY-CCVNUDIWSA-N	540.582	5.311	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	104402906	VLVHEHBDFOATLT-VULFUBBASA-N	532.232	5.953	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1ccc(Cl)c(Cl)c1	105227091	RYWVMCOGJSDNJE-MHWRWJLKSA-N	532.767	6.688	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	150646691	MTSUXNDZKNVKRC-OPEKNORGSA-N	702.199	5.064	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	164733171	MPDMCIXHQKENPX-NVNXTCNLSA-N	626.088	7.551	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795351	LRJANUDGFSIFCC-PHIMTYICSA-N	644.113	8.500	50	40	KKGB	
N#CC1=C(SCC(=O)OCc2ccccc2)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@H]1c1ccc(F)cc1	252444374	NECLWXKSVQWBOS-JCYRPKCISA-N	576.593	5.536	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	408534147	VBCRIWHXVBAJGY-UVHMKAGCSA-N	625.248	5.345	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408539243	UPZUSEHGXPKNCX-NJNWQDHISA-N	719.263	9.455	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1OC	408540365	QUUCIMCPBUONMM-BRPDVVIDSA-N	517.508	7.304	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408555065	VFXFXDCNXYFKQK-NVNXTCNLSA-N	579.665	6.972	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408585726	HQAIJZKZNXIQOS-IDUWFGFVSA-N	572.113	9.105	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc(Cl)c1OCc1ccccc1Cl	408606081	LMDBQNAQFVPAHE-IBGZPJMESA-N	528.436	5.694	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)cc1	408640131	AMFYXUKILRJZCP-GMQJPKHYSA-N	728.821	5.886	50	40	KKGB	
O=C(NNC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccc(Cl)cc1	408647175	BHMGSLFILVWADS-YZLFETNZSA-N	644.942	5.306	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1	408686448	SMSDMBVMBXAYDH-YWALVYIISA-N	586.202	5.240	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1cccc(C#N)c1	408710689	FOQRDGMKGKPCKR-IPPBACCNSA-N	542.817	5.724	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1	408718166	NPHGOLZTNQDBDQ-WKULSOCRSA-N	556.844	6.070	50	40	KKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3cccc(Br)c3)cc2-c2ccc3ccccc3c2)cc1	408724194	HLSVYQMYTIHDQS-UXHLAJHPSA-N	509.407	6.527	50	40	KKGB	
C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2ccccc2n1Cc1ccccc1	408730972	XDOJKTSETGKJHK-DEDYPNTBSA-N	549.266	7.239	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1I	408745051	JIPIAAAIASIMNQ-DHDCSXOGSA-N	570.168	5.315	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408777464	ZYVLDOIDCYSXKJ-ZTKZIYFRSA-N	556.526	5.791	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	408778741	XZPMYHZTELOJCK-CHHVJCJISA-N	515.178	5.609	50	40	KKGB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)c2c1	408785728	BIANUUMPZGUFJH-GHRIWEEISA-N	519.342	5.994	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1F	408789018	HFDHWGIXQCPCFV-RQZCQDPDSA-N	519.787	7.309	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408794920	KKZISTSJCQLHRV-UDWIEESQSA-N	521.367	5.671	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(OCC)c2)cc1	408796762	ZCGWURJAUKBPDK-DEDYPNTBSA-N	586.401	6.352	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(I)cc1	408796848	PPBUGCMZYQQLMA-CPNJWEJPSA-N	558.803	6.468	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(I)c2)c1C	408797211	QKFATTQXGHRJKC-OVCLIPMQSA-N	536.167	5.119	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccccc1Cl	408797763	SPXXHFXFKCWGPJ-GZTJUZNOSA-N	532.740	6.208	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(C(=O)O)cc1	408799256	YMYRMNJHKCXIGK-WSDLNYQXSA-N	549.421	6.288	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408813711	NVAWOHLMPVFFEV-XIEYBQDHSA-N	517.028	8.388	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408822672	CPEMRWFNSDANIN-YDZHTSKRSA-N	740.348	7.674	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2)cc1C	408824280	GOBUJMMGNXXEOT-WGOQTCKBSA-N	557.477	8.314	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OCc2ccc(Br)cc2)c1	408826200	IWEDUZQJXNYDNZ-YZSQISJMSA-N	583.482	7.470	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(OCc2ccccc2)cc1	408833456	SLNUWCFJHKPFCC-JLPGSUDCSA-N	526.434	6.981	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1	408843642	GTOPIPGKCNODJQ-FXMZOFOKSA-N	698.105	6.604	50	40	KKGB	
O=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408844394	OHPLNRNJMWHAEF-RPPGKUMJSA-N	528.815	6.039	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1cccc(F)c1	408845306	VVBOOCYHAFTNCF-XAZZYMPDSA-N	528.531	6.316	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc2ccccc12	408848559	ZUSTVEAHTIUIOJ-CKJBABAKSA-N	565.673	7.957	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I	408849997	CMRGWCAWDLKRDC-VYYCAZPPSA-N	521.314	5.252	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1OCc1cccc(C(=O)O)c1	408850405	NCAFZPYZVXTYHM-FZKWRIDDSA-N	553.659	6.596	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1	408851646	FCQFNVCUNAESNF-ZXSNDDASSA-N	564.483	7.558	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl	408860134	WDCKGNJFOYOIGC-VQWGYEAZSA-N	767.529	8.811	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408861206	PKFRYWMICNOHOY-AABVJFSESA-N	711.849	7.343	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cccc(Cl)c2)cc1	408862278	ILQMTDRCBKLZNI-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2cccc(Cl)c2)cc1	408864397	VBNSMNPXNIHMKC-OCSSWDANSA-N	518.038	5.246	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408873065	RERWPWICBMUVKS-RGVLZGJSSA-N	556.831	6.707	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)c1ccc(Cl)cc1	408885865	GCSZXIONAUGIGX-RWPZCVJISA-N	507.771	6.239	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl	408896576	SDVLBPVBPREJQV-VCHYOVAHSA-N	556.800	6.452	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(F)cc1	408904879	PWWFGZHIWBHAQW-QDTIIGTASA-N	603.344	5.826	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccccc1	408946359	MJZMTMCUYYNUBD-MHZLTWQESA-N	763.452	5.518	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c(F)c1	408966823	NQVZNLIDKVUFTP-VYVUJPJFSA-N	694.069	6.556	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408971292	FPELLBJHBGBYQU-IFRFXNDNSA-N	695.394	5.352	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(C(=O)O)cc1	408982028	FHDIFZYPNAMEDN-GRSHGNNSSA-N	602.812	6.085	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1	408994236	YKMUDFCCQSVBPR-ATLZUBCYSA-N	617.709	5.237	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409039619	HDVMAUIFIDQORV-MNDYBZJGSA-N	658.290	5.975	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(Cl)cc5Cl)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1	409039728	RYEDMRCQCOKBMW-DLRSXMJLSA-N	625.468	6.177	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccc(OCc5ccccc5Cl)c4)cc3)cs2)cc1	409046033	QZPAKWFMFYHQKL-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(F)cc1	409067349	QHNAFVAKYKOSKA-JJIBRWJFSA-N	500.570	6.476	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Br	409117993	SAHPPTDQZOJGSC-LQKURTRISA-N	639.912	5.072	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1	409122462	ZDHLZJZHWLCGTD-NDZAJKAJSA-N	578.488	5.583	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1Cl	409128248	DYNMBXFXFFAAPT-JOCHJYFZSA-N	563.279	6.073	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(C)cc2C)cc1	409185278	VPDQAJQEOMHVNR-HNSNBQBZSA-N	576.118	6.190	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1ccc(Cl)cc1	409194999	RZGJXOHXLPXAIM-IPPBACCNSA-N	572.684	7.361	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	409203553	XYEKXTDPMLEIQU-WCMJOSRZSA-N	538.500	7.222	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409222622	CRAXLZYOEZPPQD-UHFFFAOYSA-N	654.395	6.432	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccccc3)cc2)cc1	409222882	DOKUTFAEGRFQCF-LKUUSAOBSA-N	548.555	5.538	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	409232411	HGZVCYRBZYVQCE-NVNXTCNLSA-N	588.320	5.196	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)n1	409247641	FAOCTPMNCHGXNZ-OPEKNORGSA-N	611.303	5.282	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1OC	409324148	RIBLUWSGEOLRCI-NUJZUDFISA-N	610.730	7.005	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	409360494	PVFIRKBHLZZHEN-KKMKTNMSSA-N	690.117	5.800	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384502	CWOFMJNZAUPUEA-AMVVHIIESA-N	550.423	7.612	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)c1cccc(F)c1	409394256	XTVNSRIYSBKELF-UWVJOHFNSA-N	606.176	6.550	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)cc(OC)c1OC	409395623	PYAFZSWRAWQOSI-UHFFFAOYSA-N	675.479	6.448	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395914	TYLXXRDTEMQUQU-UHFFFAOYSA-N	675.333	7.380	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397436	JWIAKQWDPLNUKA-UHFFFAOYSA-N	616.899	7.633	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Br)cc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409397551	LDOLSGUAUYLTNO-UHFFFAOYSA-N	656.489	6.523	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409399213	YKHRIENBKJZNMC-UHFFFAOYSA-N	582.056	7.187	50	40	KKGB	
Oc1c(P(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(Cc2ccccc2)ccc2ccccc12	675082916	FGVZTNGQKZACOC-UHFFFAOYSA-N	544.634	8.715	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	1529544429	FSQUWYJKHHCPSO-OOGQYTPFSA-N	716.452	5.676	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OCC)c1	1529547490	LEOZPCOKPMOZQN-LVVFFRFESA-N	637.158	5.203	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1	1084006	ZKCCJNLRRWOVOM-UXHLAJHPSA-N	535.069	5.478	50	40	KKGB	
C[C@H](C(=O)c1c[nH]c(C(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1)c1ncc(C(F)(F)F)cc1Cl	3105479	DVUYPQXHYOACKX-QMMMGPOBSA-N	540.251	5.892	50	40	KKGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c2)cc1	3285485	MJGOUSIZQPCHBT-STBIYBPSSA-N	537.041	5.321	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	6073845	RBDLCAIHNKKYNF-BIUWRGFISA-N	562.906	7.899	50	40	KKGB	
Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6194074	JIMUSIJZSKRZJA-LPVRMUPLSA-N	574.884	7.613	50	40	KKGB	
C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C(/C)c1ccc(Br)cc1	8397116	CLDJBPFHIBQWLE-MIXAMLLLSA-N	549.498	5.624	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)SC(N)=C(C#N)[C@H]1c1ccccc1	8411579	QMSKLJBAEATGRJ-XMMPIXPASA-N	516.692	5.746	50	40	KKGB	
CCCCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccccc3)C2=O)cc1	9428271	KBTQMVAYQUBJLW-HONSFURUSA-N	509.675	5.814	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=N)[C@@H](c2nc(-c3ccccc3)cs2)C12CCCCC2	11024237	DHKDQQRAHRYIJM-DEOSSOPVSA-N	513.692	6.532	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)C1=NNC(c2ccccc2)(c2ccccc2)C1	15162352	VGRRDPCETNPKAQ-UZWMFBFFSA-N	509.009	5.662	50	40	KKGB	
C/C(=N\NC(=O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1	33527502	WXSZXRHPZRZHNO-UVHMKAGCSA-N	500.462	5.077	50	40	KKGB	
CC(C)CCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccc(C(C)(C)C)cc3)c3ccccc32)cc1	46085043	IWOXENFATZBHPG-BVNFUTIRSA-N	527.665	5.855	50	40	KKGB	
N#C/C(=C\c1ccc(OC/C=C/c2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	97965710	RAQDXTHIOMYXBG-LHHZPZPYSA-N	542.642	5.582	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	97965726	XRLNJFZATSWJPQ-RQRWGXNHSA-N	587.894	8.268	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccc(-n2ccnc2)cc1	97981199	HOKHBRIQVMYINW-YQCHCMBFSA-N	563.683	5.417	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2)cc1	98001537	SZTGDYUTGCBUER-ATZGPIRCSA-N	644.404	7.674	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1cccc2ccccc12	100179546	SXQDCZACFLYARO-MNDYBZJGSA-N	547.405	6.073	50	40	KKGB	
C[C@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(Oc5ccc(C(C)(C)C)cc5)c([N+](=O)[O-])c4)[nH]c(=O)c23)C1	102988836	IUFZVVGUPMEKRF-FJSNCCPHSA-N	540.645	7.172	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1Cl	103890003	QXOSNOBUZAFLKE-SXGWCWSVSA-N	566.666	7.543	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	150427427	XTSVSCSZLQBTRY-MNDYBZJGSA-N	725.162	7.083	50	40	KKGB	
O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	164578108	IIIXEKBUKKRQNN-UHFFFAOYSA-N	910.127	10.075	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795496	LDDGSXXKBJPSPY-SZPZYZBQSA-N	798.410	12.791	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1	408552184	OZEPXPBARBZZLU-OVCLIPMQSA-N	624.116	7.082	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408568161	IELNQAAPIKCHOP-CCVNUDIWSA-N	622.404	6.798	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(-c5ccc(F)c(Cl)c5)o4)cc3)cs2)cc1	408600167	AAUAMMDWYGBGKI-BVMLUPFRSA-N	531.012	7.679	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408610296	NHVMRDKSIFHAES-PNQUVVCRSA-N	540.325	5.689	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	408611770	SEEZFPMLAWMMMI-FJEPWZHXSA-N	528.436	5.795	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408612970	XYOUCPVTWSLIEM-XAZZYMPDSA-N	532.855	6.116	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)c1	408642177	DSCFIGAFIAZRIW-GMQJPKHYSA-N	744.820	5.586	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408678820	DHTLDBRLUJSRJG-YVSFHVDLSA-N	634.108	5.381	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccc(F)cc1	408710642	BINPCSDXVBLVHK-YPXUMCKCSA-N	669.059	6.685	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	408725641	LQZLRZPFNXIDCP-CIAFOILYSA-N	572.830	6.146	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747633	QRIDMIIANUYRMO-BJUCDSOZSA-N	618.742	7.375	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408751984	AXXAGWSQFXOSFY-FYJGNVAPSA-N	592.287	7.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC	408757048	ZJQPMIMSPUGBGU-MDWZMJQESA-N	531.177	5.941	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408764064	VWIJFAAXBNCBNM-VFLNYLIXSA-N	524.364	6.260	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc(Cl)c(Cl)c1	408764585	UWCOSBKEYXTRTN-IPPBACCNSA-N	528.233	7.252	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1OCc1ccc(Br)cc1Br	408768899	LIHQHUCQKKCIQH-JAIQZWGSSA-N	570.281	6.962	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408776475	PBEAYHNCMYCROI-WQRHYEAKSA-N	628.379	6.407	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1ccc(Br)cc1	408785466	ZGTATTKILBUBRQ-YSURURNPSA-N	570.079	5.851	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408788872	MRKGTCCHCOQSFX-OGLMXYFKSA-N	715.385	8.911	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408790804	YXTGCJNRJJDQKB-FRKPEAEDSA-N	570.687	8.477	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408793714	QAOZEHLNQDVXQO-RGVLZGJSSA-N	536.382	6.107	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408794765	JDVNEZKZYOUIHA-UDWIEESQSA-N	551.393	5.679	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(C(=O)O)cc1	408796754	OZMLWEFLMOEYKW-CIAFOILYSA-N	535.394	5.979	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OC	408799204	YJXQCLBKTJURKY-DEDYPNTBSA-N	507.384	5.981	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2)cc1Br	408801531	UOZXJIINUJZFRQ-UDWIEESQSA-N	507.384	5.899	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1c(C)ccc2ccccc12	408807402	CHGNKGHDHYNKDI-ZVHZXABRSA-N	602.472	7.503	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1	408815167	UPFKMUNLLBUJNW-MYYYXRDXSA-N	527.418	6.413	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(C)c(C)c1	408816869	ZGZWPNKLGJBOAH-HYARGMPZSA-N	505.412	6.589	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Br)cc1	408817950	XABWQRJPSORDAV-WKIKZPBSSA-N	558.226	6.309	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408830160	RTIFUZWJZYEOMG-FNTLCPBMSA-N	698.639	7.505	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408835189	MYTCBWFSQQUJFO-FDAWAROLSA-N	561.660	5.069	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)O	408849438	YMUUHRLJDXKLNJ-XKJRVUDJSA-N	615.893	6.206	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408850803	RIHNUBUBNCLKNX-DXJNIWACSA-N	544.449	6.553	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1	408853209	ZSVOAJMCJWPECA-WBIBEUCMSA-N	598.486	7.801	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(C)cc2)cc1	408864712	YMODHUSKFQDZBA-GOJREDGKSA-N	607.732	6.472	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1ccc(Cl)cc1Cl	408866423	FUGMBODHHKTJQU-BVFGLBTFSA-N	645.340	6.723	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408869401	CXAYHLRAUBKOGH-ICLYNSGKSA-N	626.960	6.138	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1	408871029	VCGHXVJLWLGXOE-OCSSWDANSA-N	556.471	6.161	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1Cc1ccccc1Cl	408873239	PGNMRKZWRGJZBS-WOJGMQOQSA-N	560.794	6.619	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1	408878279	ZKJULQQIZRRGPA-QXUDOOCXSA-N	635.142	5.410	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c([N+](=O)[O-])c1	408883778	WMTVCDGRILYWGS-HYARGMPZSA-N	542.389	6.944	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccccc1F	408890443	TYJVGFOGBWVEAL-RQZCQDPDSA-N	607.217	6.326	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c2ccc(C)cc2)cc1	408892101	GCQDDCPROWGSCQ-STBIYBPSSA-N	568.124	5.210	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2ccccc2Br)c1	408892705	JBSKFVFFHKYCBC-KOEQRZSOSA-N	569.455	7.161	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1c(Cl)cccc1Cl	408899878	RJPOIKCAALWMLL-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1	408946360	MKEIDEHJCVQJEQ-JGCGQSQUSA-N	687.616	6.066	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCc1ccccc1Cl	408948673	PTQCLOUMFPJRLY-MUUNZHRXSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2F)c(OC)c1	408949127	DTERPRPGJGTBIC-VVYBVRPNSA-N	748.400	5.658	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl	408953289	XJEVNVOLIYNVMA-MHZLTWQESA-N	785.342	6.982	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c(OC)c1	408953701	XUEXDXCUPPMDPJ-WQQORDOHSA-N	685.561	5.700	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	408954143	YPAFPXXAXFYPPY-HHHXNRCGSA-N	661.995	6.111	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1	408958018	XEFZEXXQKPMQJJ-BXAFPDBCSA-N	529.571	5.101	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408970477	AAFDKJSPXLYPGI-HJIIWXFYSA-N	768.319	8.295	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl	408971668	LFLJTQAOTGCQAZ-MLCSCPQYSA-N	600.543	6.340	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCCOc1ccc(Br)cc1)NC1CCCCC1	408973010	RHEMHDUWIMBTME-MFKUBSTISA-N	539.268	5.635	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCC(C)C)c3ccccc23)c2ccccc2)cc1	408980942	UNBDCTBQFJOJJN-FUGGPRTCSA-N	543.689	5.743	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	409066369	OIKZGQOMMZDQBM-RIYZIHGNSA-N	542.227	6.614	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409066495	VTFTVWSLGZLQKR-HNSNBQBZSA-N	592.117	5.577	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)c1	409073072	XBPAHENSEPFDRZ-MHWRWJLKSA-N	521.809	6.269	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccccc3F)c(OC)c2)C2=C1CC(C)(C)CC2=O	409148929	UQJJRIFGQUOMEZ-RUZDIDTESA-N	584.486	5.558	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1	409155102	BPZMGWWTFBJQJM-VTNSRFBWSA-N	581.069	5.251	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	409185161	JYRBRTGNQVXBGW-QXUDOOCXSA-N	622.143	5.980	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	409190597	ZYZOYYOGXZRTCR-UVHMKAGCSA-N	613.677	6.449	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409211931	ORAGHEPRGVCONG-ODLFYWEKSA-N	569.355	5.598	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409217150	SOLOQDPDCWXHQY-ORBVJSQLSA-N	593.157	7.884	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)/C=C/c1ccccc1	409218294	HSPHZUFWISRLCV-ZVFXIFGKSA-N	598.453	6.093	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12	409220071	UBASHHUJYNTSHW-DRTQIIIVSA-N	561.641	5.735	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1	409226196	PPYBJZAVPIGARH-DLCNMLRHSA-N	590.514	6.157	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409226318	UWRADSRTGYDVEY-UHFFFAOYSA-N	577.347	5.186	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)c2)c1	409227300	UWBSMUBYHSJJMB-UHFFFAOYSA-N	602.441	5.702	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409259583	AZLPDEDBNWIYED-ODLFYWEKSA-N	524.404	6.264	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	409260662	UGVXFCCRLPWKFQ-UNOMPAQXSA-N	538.829	6.283	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409262389	HGBAFDAITXIWJN-NINVTMNCSA-N	610.936	6.312	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409267003	ZXRDGVFRUUHSRU-UDWIEESQSA-N	536.382	6.146	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OCC	409322997	YZKHHDIKWFUKGG-CAQPMQTCSA-N	566.054	5.792	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1OC	409360035	CZUDSUMZIYHLFQ-ACXHZZMFSA-N	612.318	6.654	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OCc1ccc(Cl)cc1	409366343	ULRQVBMONSAFFQ-WYMPLXKRSA-N	529.909	5.727	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409371721	LGCZQODJKHDTSY-UUYOSTAYSA-N	509.389	7.672	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(Cl)cc1Cl	409372289	VDCIAAQGZPDCPH-PXNMLYILSA-N	507.186	7.547	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1nc2ccccc2[nH]1	409384050	XZRGDBQDLSYCLH-SXGWCWSVSA-N	682.097	7.178	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccco1	409394409	ACENZAVQBNVARS-UHFFFAOYSA-N	720.599	8.352	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)c1	409394456	ARKBCMHZRPPDEJ-UHFFFAOYSA-N	710.220	8.414	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)cc1OCC	409395034	JBDHHZCBSDNNTJ-UHFFFAOYSA-N	723.393	8.280	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396288	JSHTWBOCUAQHPB-UHFFFAOYSA-N	606.000	7.889	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc(Cl)cc1	409396445	YKBVHEFPBNIDQL-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397079	FYSAMPONFZBUGM-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl	409397587	LNRNUYWXOLJHGD-UHFFFAOYSA-N	576.411	7.273	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)[nH]c12	409398889	WEZWPDDTNIYMSK-UHFFFAOYSA-N	547.611	6.398	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1cccc2ccccc12	409400724	FFVRVRPHVGTFHZ-PQKVGRGHSA-N	629.713	7.779	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3ccc(Cl)cc3Cl)o2)cc1	409401558	HNDAQPGBKGGRFR-FDUMAKPYSA-N	701.832	9.332	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OC(C)(C)C)o2)cc1	409401825	IGDZGSBFIKKWOA-LJUMEUDFSA-N	564.480	6.970	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409403364	ZXHVESWYABBGJR-LNUPBTJSSA-N	559.619	5.369	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(C(=O)O)cc1	409405687	UNRMIJKEQWVUOA-QJOVZPHJSA-N	607.663	6.706	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)o2)cc1	409406699	CCOTZVXJRQYQID-DLCNMLRHSA-N	594.624	5.834	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	1529546369	FNUIJAOSIGMYFQ-UUTVKSQHSA-N	672.001	5.567	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1cccc(Br)c1	1812379	YNCQRPXFYWDXKQ-WYMPLXKRSA-N	529.510	5.989	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OCc4ccccc4)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1879895	OKLBGRUXBKIMEU-HPNXWYHWSA-N	589.765	7.362	50	40	KKGB	
Cn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)nnc1-c1ccccc1	2089944	GOGMBEDDAWJITP-JFLMPSFJSA-N	536.455	5.066	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12	2090469	HADFFUQHTACAAA-OKCVXOCRSA-N	530.371	6.671	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)sc2c1CCCC2	2200420	AWCBRWJKDTXMTO-QINSGFPZSA-N	514.470	6.666	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	2223173	OWDPDPDGCWVHGF-CCVNUDIWSA-N	523.083	5.530	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	2799342	PTKWBMLLOGQJDU-HHHXNRCGSA-N	547.442	6.683	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	3236779	YZQCYGRFKAWMFA-FYJGNVAPSA-N	585.410	6.464	50	40	KKGB	
CCN(CC)c1ccc2c3c(c(=O)oc2c1)[C@@H](c1cc2c(C)ccc(C)c2nc1Cl)C(C#N)=C(N)O3	6078534	NTYWDDJSYZXLLB-QFIPXVFZSA-N	500.986	5.676	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3[N+](=O)[O-])C3=C2C(=O)CCC3)cc1COc1ccc(Cl)c(C)c1	8456042	KNKVXCZDGRTDTM-LJAQVGFWSA-N	571.033	6.449	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(OC)cc3)s2)ccc1OCc1cccc2ccccc12	8492289	WQMNTQSSXLDBTN-HNSNBQBZSA-N	595.681	5.623	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(F)cc3)=C(C)N2)cc1	9375424	UPWLXUZFUGCNRI-RUZDIDTESA-N	503.555	5.378	50	40	KKGB	
CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NN(c1ccccc1)c1ccccc1	12558572	FCXPEMROBURCGI-HHHXNRCGSA-N	522.605	5.325	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)NC(C)=C1C(=O)OC	20348647	ATCJTJAWOFEVEL-DEOSSOPVSA-N	512.031	5.288	50	40	KKGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)N/N=C/c3ccc(-c4cccc(C(=O)OCC)c4)o3)o2)c1	59222086	NOJQNWCSLKGKDJ-HRTPUDOWSA-N	542.548	5.227	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1	97939491	QZTAKKBBFNQRJO-RHANQZHGSA-N	528.638	5.691	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	97950481	KZYBSELQLYBLJJ-HHHXNRCGSA-N	544.702	6.162	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)OCC)o2)cc1	97968638	ZARIXUPDZSUAFE-RCCKNPSSSA-N	575.042	7.228	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1	98001363	IKXHYDHRTGZPMT-LUOAPIJWSA-N	645.529	6.376	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1	98001499	ISCZXIIBGVYDPA-FDAWAROLSA-N	609.060	5.181	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2Cl)=C(C)N1	98048649	PNCSWTUQFHTCCQ-SANMLTNESA-N	567.498	6.855	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	100029937	ULOTUNJTURUSAD-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccccc2F)cc1	100124019	FKDQKCNSGYDYMG-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\c1ccc(OCc2ccccc2)cc1	100858477	ZTSRLNDVGHHSBL-LQNQUEJISA-N	556.738	6.805	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3SC(N)=C(C#N)[C@@H](/C=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@@H]3C2=O)cc1	101003397	HUSONRRFIFIIQC-MYWNNWKCSA-N	536.440	6.190	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1OCc1ccccc1Cl	101649496	NLRUYXOLRQMAJR-KKMKTNMSSA-N	582.676	5.982	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1ccc(Cl)cc1Cl	102007102	GYMQMHSJBGIANI-KKMKTNMSSA-N	532.474	6.433	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccc(Cl)cc1Cl	102964945	PHQZIFGZOHWGII-MNBJERMJSA-N	552.531	7.171	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1	103895727	QOGLKHVHVVKIQC-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
COc1c(Br)cc(/N=C\c2ccc(N(CCCl)CCCl)cc2C)cc1Br	104094712	XBADGLHMYOIWPY-MSXFZWOLSA-N	523.096	6.563	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	150353404	RADDBQUUHZDEPW-PJTITMSOSA-N	641.522	5.664	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(/C(C)=N/NC(=O)CSCC(=O)N/N=C(\C)c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC	150437334	RKRUDTRBIOFZAJ-WAJJMWJGSA-N	740.839	5.339	50	40	KKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc4cc(Br)cc(OC)c4o3)cc2C(C)=CC1(C)C	208524141	LEUJHUJLRMFUKU-CCVNUDIWSA-N	510.432	6.298	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408538548	OPOJEJVQVGIYGX-YUMHPJSZSA-N	627.093	7.238	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(Br)cc1	408555901	ZQUSMKQSBZDOQZ-YBFXNURJSA-N	641.385	7.547	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408567530	OKCLCGCYQSGSBG-CHHVJCJISA-N	545.181	7.009	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1Cl	408580184	MWILNHCFVOZVAC-RQZCQDPDSA-N	584.668	8.293	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408580800	RTIYULUEDAHEGE-YBFXNURJSA-N	503.223	7.798	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl	408598450	ASBQNLAKYVDVFT-KBKYJPHKSA-N	553.196	6.016	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cccc(Cl)c1	408599349	SVYWKFNFHXSUGY-IUXPMGMMSA-N	632.066	7.846	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408638085	BUOLIARKAFKYRI-CZYKHXBRSA-N	806.118	7.682	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408647225	UUUXVFZSTBGLNV-BDXSIMOUSA-N	662.118	5.064	50	40	KKGB	
O=C(COC(=O)CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)NNC(=O)c1ccc(Br)cc1	408667092	JBXOOCJUBVVPAR-UHFFFAOYSA-N	609.260	5.271	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408678426	YZOYZIIWVHRXRG-FJEPWZHXSA-N	624.306	6.550	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1OCc1cccc2ccccc12	408726288	MWNRHTBXOZMNNC-OCSSWDANSA-N	533.422	6.353	50	40	KKGB	
CC1(C)Cc2ccccc2[C@@](C)(C(=O)N/N=C(\COc2ccccc2)c2ccc(Br)cc2)N1	408733973	AFEOEJXUOABXCQ-FSPIHMFUSA-N	506.444	5.188	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)cc1	408744268	DSGOLDOASWLNGQ-HAHDFKILSA-N	546.454	7.534	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408745249	QOTHXEWXYMACKE-WQRHYEAKSA-N	546.248	7.279	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408747137	ZZFYRCWCTACERG-MFOYZWKCSA-N	501.753	6.470	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccc(F)cc1	408760562	AVWUXCORMQMSGP-BKUYFWCQSA-N	521.386	6.450	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408780640	GVQYKFLGUNASQE-KQWNVCNZSA-N	560.879	7.635	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(I)cc1	408780948	OEXWHEYGHAWEBY-VFCFBJKWSA-N	589.499	5.459	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408788535	KVRVIPMLINSZNF-CXUHLZMHSA-N	638.643	6.740	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1	408789738	KQHNAJXDQRFFGP-VXLYETTFSA-N	540.359	6.203	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc2ccccc2c1	408790212	VDOFCWGHUCJHBM-YDZHTSKRSA-N	572.415	7.034	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1C#N	408792535	KOUKLLYYUCKMFX-DJKKODMXSA-N	522.786	6.107	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(C(=O)O)cc1	408795594	MDAODTNTGHIJDG-KEBDBYFISA-N	569.839	6.633	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408797888	UFAHYTZKJDRCEN-CXUHLZMHSA-N	547.192	6.789	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Br)c2)cc1	408803627	RIRWOKSBUZASKZ-HZHRSRAPSA-N	511.419	7.344	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Br)cc1C	408811610	RIAGONBUHRFHCU-WPWMEQJKSA-N	567.483	7.770	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2	408813849	DTQHDHGYHHPMQJ-FBHDLOMBSA-N	520.969	5.278	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OCc2cccc3ccccc23)c1	408824082	PGUIPRGZHXQXRU-TURZUDJPSA-N	619.515	8.315	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1cccc(Cl)c1	408830754	GJRKEGVCUPKUEM-YDZHTSKRSA-N	685.345	8.310	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408837654	KSMIKRKOLYRIHQ-SEBMTOOBSA-N	688.206	5.461	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2cc(C)cc(C)c2)cc1	408837772	NICJAPUKMLTCNO-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408839264	PRBIAAVVFDZAGB-PUHLOBNQSA-N	712.365	8.114	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCC(=O)O)c(Br)c4)cc3)cs2)cc1	408839275	PVUIFFLEWWQCNG-XODNFHPESA-N	565.449	5.852	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5cccc(F)c5)c(I)c4)cc3)cs2)cc1	408839461	SQSIPMOHWSADPI-QNVXDBMFSA-N	788.424	8.553	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1	408842027	HXGCHQWPGNRGAB-FABQOPTDSA-N	583.113	7.867	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408857282	UBTGJDNJLZZYMS-DBFSUHOCSA-N	571.811	6.289	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1	408857853	MXURTLXEUCWASB-OJYCWLPVSA-N	582.473	7.697	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)c2ccc(C)cc2)cc1	408860702	CGAXUGPLNLLYFP-JEPNHJGPSA-N	680.621	6.398	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc2)cc1	408860951	JIDSNWFGTDKKDN-MUFRIFMGSA-N	542.444	5.907	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccccc2)c1	408861180	OUKBTDJXIAIIKQ-ZCTHSVRISA-N	572.643	5.136	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)cc1C	408865309	AGKIIITWTXSYHB-CAQPMQTCSA-N	607.574	5.815	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408872120	KUMPZVYXTCPITR-AWQFTUOYSA-N	620.327	6.974	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OC(=O)c1cccc2ccccc12	408879549	GWBWONZJDCUBDH-FNTLCPBMSA-N	594.752	7.841	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408880123	FWTIWGCOXOCCSF-AWQFTUOYSA-N	575.876	6.865	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Br)ccc3ccccc23)cc1	408883237	UHVXLRTWGXUDBY-HAVVHWLPSA-N	555.428	6.904	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(C)c(C)c2)c(OC)c1	408885270	YVKMMFAMYBSBCQ-YDZHTSKRSA-N	519.439	6.762	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cccc(I)c1	408885344	ZSRCZRVLSFODIE-CPNJWEJPSA-N	503.343	5.840	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OCc1cccc2ccccc12	408886140	IIZCUHVBMLVPMT-LQKURTRISA-N	536.369	5.796	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1C	408899212	ZXBFLFWFSWCJNX-VCHYOVAHSA-N	546.248	7.198	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408906791	KKWRGXZCNGGLBH-ZRGSRPPYSA-N	569.324	5.363	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1	408924756	OFOWGMUPNOVPIE-LTGZKZEYSA-N	512.543	5.160	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)c(OC)c1	408953794	MSLXZVMLGKDYAZ-GPQOJQFPSA-N	849.420	5.075	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408964568	VHFWYWJIFGAGGU-ASBCUXTASA-N	619.343	5.966	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408965609	WHABXFBJGDGNCH-KVSWJAHQSA-N	556.176	6.573	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408969385	NAPTUNZECSXGFC-XJESCPFFSA-N	600.941	6.050	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1Cl	408971311	IINXSEITKNTTJR-MLCSCPQYSA-N	644.994	6.449	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc2c(c1)OCO2	408984941	UNFSGFBOXIVYMV-DJKKODMXSA-N	616.839	6.505	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1	408988275	DCUMGVCXGOJTSE-RIYZIHGNSA-N	537.966	6.463	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccccc1F	408988749	JFAQZNHDRDEYLD-HZHRSRAPSA-N	504.989	7.039	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1	408989446	HSDYBRAPMJXUAO-ZHSUKTGHSA-N	686.986	8.097	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1ccc2ccccc2c1	409008905	ACKPFQUOOAEXAS-ROPCREHHSA-N	795.209	8.299	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl	409011419	GMGWIDULRFEXBH-RWPZCVJISA-N	599.334	5.148	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OCC)c1OCC	409011790	IOQHRLGTRNXJON-LGJNPRDNSA-N	597.247	6.090	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	409029241	XHQPLNOGFFGRSQ-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1	409045335	GHCPNDSTQKZVJM-VCHYOVAHSA-N	515.780	6.558	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl	409052022	FXLDTRBJSNQCHG-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2)c(OCc2ccc(I)cc2)c1	409064900	QTJURDONOUPPKN-WPWMEQJKSA-N	527.406	5.480	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O	409123267	BJIIVHVLECEBCV-VWLOTQADSA-N	605.360	6.718	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409164540	KADUVEHFTQELMN-PNQUVVCRSA-N	673.266	5.242	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	409184869	IIVMNJRJVOZBDG-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	409211927	PFRPHTMLWGXQPC-WCMJOSRZSA-N	522.045	6.708	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(C(=O)O)c1	409217939	RTKFBXWKHLTLAY-JAIQZWGSSA-N	523.339	6.097	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	409222210	BCBDCPKCTKPVSF-UHFFFAOYSA-N	522.517	5.139	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1ccc(Cl)cc1	409223551	IJHDCPJRSSUHTO-GAQMAEIGSA-N	582.059	6.460	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409252174	RBASDQHLOSVOBV-NVJOKUIPSA-N	593.703	6.263	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)c1	409255905	JJBXLZKDRBNODO-HQDYHJHZSA-N	640.563	7.406	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1Cl	409266081	OMCIDOOQUGBRHY-MHWRWJLKSA-N	500.769	6.210	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1Cl	409273057	VCGMKAHLSWPGGF-BCHBDCPOSA-N	511.192	6.082	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409315274	UTTUUBPIWYIVDK-RGXNXFOYSA-N	510.590	6.016	50	40	KKGB	
C=C(/C(C#N)=C/c1cc2c(cc1Br)OCO2)N(Cc1ccc(Cl)cc1)c1ccccc1N	409335212	PAZSXRTXDGNVCY-VXLYETTFSA-N	508.803	6.541	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1	409363496	MAKHLWCXMMBIDN-VYYCAZPPSA-N	515.791	5.146	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OCc1cccc2ccccc12	409365639	RDTLMZMJSSUFED-LQKURTRISA-N	559.551	6.616	50	40	KKGB	
COc1ccccc1/C=N\NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1	409368632	FPKZEVNQWUNREY-WKIKZPBSSA-N	585.307	5.106	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(I)cc1	409369112	CTSIWPGHAARQBE-UYRXBGFRSA-N	516.176	6.697	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(Cl)cc1Cl	409371286	FSCVALOICMSRAV-PXNMLYILSA-N	554.186	7.389	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409372056	RITBLDSOBSRLDU-WQRHYEAKSA-N	542.348	5.829	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409390528	DWTQXBOZOXPKRS-HNSNBQBZSA-N	517.589	6.385	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409395578	PINZVDDICHXFGQ-UHFFFAOYSA-N	518.529	6.035	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395974	USIJSEUKLVJHHY-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396335	LZWVLAYUAIIYMN-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409398104	QOBXKMSMLXFFPC-UHFFFAOYSA-N	616.899	7.633	50	40	KKGB	
CC(=O)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409401183	GTGHCGDKBNFZEV-FDVSRXAVSA-N	505.958	5.609	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1	409402606	KCXBODDMRNBYAF-QJOVZPHJSA-N	651.676	6.354	50	40	KKGB	
Cc1ccc(COc2c(Br)cc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2Br)cc1	661044	IIZZSMSLZDAIDG-LJQANCHMSA-N	530.220	5.349	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c4c(c5ccccc5c32)[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O4)cc1	692200	FNIORPCDRJBACA-CLJLJLNGSA-N	528.568	5.293	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C	1780779	DYIWGZIKHRHKCD-LFVJCYFKSA-N	512.606	5.509	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2-c2ccccc2)cc(Cl)c1O	2741320	XUSAZYBIXDKHDA-ZNIRGWDNSA-N	571.490	5.531	50	40	KKGB	
O=C(COc1ccc2ccccc2c1Br)NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1	8398636	KWVVOQNULNJADZ-GTLAIDDRSA-N	511.419	6.880	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3N[C@H]2c2ccccc2)[C@H]1Cl	8425538	LGHJZYDFGCMCGW-VLDBVROHSA-N	505.854	7.940	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)o2)cc1	8439808	CMQCKVIOJNNWJY-KVAAJVFYSA-N	634.032	6.141	50	40	KKGB	
O=C(N/N=C/c1ccccc1Cl)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	20059437	VKTAWLBJIHZMES-VUTHCHCSSA-N	504.011	5.499	50	40	KKGB	
O=C(N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	33958599	NIAXPZFKROECGX-WCKLRORHSA-N	500.562	5.046	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1Cl	59225048	ARUYZWLONKWDPL-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	59855879	IFYKCPSBLOMAFT-QXUDOOCXSA-N	606.144	6.280	50	40	KKGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1	59885680	ZYKDPQWLKIFQMW-IKQNMSGQSA-N	545.661	5.122	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1	59886836	SIDRWQPOBMYODW-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C\c1c(O)ccc2ccccc12	97966415	CCMVFNXJYCFASX-QICSCLDFSA-N	677.589	7.443	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1)S(=O)(=O)c1ccccc1	100104519	YPTODKKGWQLSTH-FNTLCPBMSA-N	618.158	8.114	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343704	DVBCKPAHUNYESW-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	101273242	CTVGRZTZGIKNBK-HSZRJFAPSA-N	547.986	6.156	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1	101513381	PSVDMFKZXMMGPO-CCVNUDIWSA-N	571.149	6.314	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(Cl)cc1	103889136	CSKLKFMXJBRISS-MOSHPQCFSA-N	527.835	7.509	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C\c1ccc(Cl)cc1Cl)N/N=C\c1ccc(Cl)cc1Cl	104164792	ZWOVLBCKDNNCGL-VHUXLRGGSA-N	544.310	7.021	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](C)SCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104699730	CMPVVVYZWVCOBM-NHGWDHMLSA-N	539.701	6.462	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N/NC(=O)c5ccncc5)CC[C@@]43C)[C@@H]1CC/C2=N\NC(=O)c1ccncc1	118918535	LTANJFVUAIWDNA-BLARRWCWSA-N	526.685	5.391	50	40	KKGB	
O=C(NCCCl)N1CCC(C/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1	150421291	WXDPCKTYLPPFES-HXPUERGNSA-N	634.011	7.742	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc(Br)c1OCc1ccccc1	164475241	GFJSSOWVFWMEJB-IURWMYGYSA-N	646.336	5.440	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	164713209	AWRHXGMOSUZFEY-AUWJEWJLSA-N	637.053	5.232	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(Br)cc1	408535103	XOXAOTZANVHSAR-WQRHYEAKSA-N	503.621	7.508	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccccc1	408538442	MYHHKVWZXCAFOW-PTZDRTPLSA-N	689.237	9.528	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)c3ccc(Br)cc3)cc2OC)ccc1OCc1ccccc1	408540097	MZUAZKSPSLRSII-CVKSISIWSA-N	604.928	8.732	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	408540352	QOGHKCVERTWIBU-OVVQPSECSA-N	553.058	7.751	50	40	KKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	408540585	UFMXUXLNOQKUJK-DXJNIWACSA-N	525.045	6.659	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCc1ccc(Cl)cc1	408553054	WKQSIDAGGGLCID-HZHRSRAPSA-N	558.103	7.404	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408553102	XGPXVCSHDGUZKQ-VCHYOVAHSA-N	610.433	6.136	50	40	KKGB	
CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1	408570518	WHYNBXWUMKSTQF-UXHLAJHPSA-N	550.702	5.723	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(F)cc1	408581105	UOIAPWYVZOQGEW-VCHYOVAHSA-N	564.192	6.845	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408584090	ZYFRARZUURDLEV-RQZCQDPDSA-N	548.901	7.539	50	40	KKGB	
O=C(COc1ccc(Cl)cc1NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1cccc(Cl)c1Cl	408612749	YPBFESXMUKJZRW-HNNXBMFYSA-N	547.826	5.161	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408649346	XTZZDADKHBHCQW-NVPYSNMXSA-N	751.255	6.683	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408657496	UJKWQRYJEGYIPV-RNLQGSBTSA-N	659.158	5.020	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	408684909	PVHLNOPQSFYQLO-BDYUSTAISA-N	652.295	7.154	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1	408743273	FLMBPPGMRQFDRX-OYKKKHCWSA-N	544.392	6.878	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)ccc1I	408748121	YSCGOSHCOBPUPA-YPXUMCKCSA-N	688.110	5.896	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1cccc(Br)c1	408753684	BMPMFRDCLRDGSZ-SOFYXZRVSA-N	635.106	6.827	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408757112	WWCDMGIGONDWPR-WOJGMQOQSA-N	542.227	6.345	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(Br)c2)c1	408760724	DWFIRZCBDRJORI-SFQUDFHCSA-N	572.393	5.069	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c([N+](=O)[O-])cc1OCc1ccccc1	408765461	WEQAFYTVTPSLCC-ZDLGFXPLSA-N	508.328	5.491	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)cc1	408787849	GYKXXHZCALVMOR-CIAFOILYSA-N	645.291	6.664	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408792088	HQFXLJABMLKRKT-FRKPEAEDSA-N	532.767	6.688	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCc1ccc(Cl)cc1	408793776	GFESNEQIGUJGQE-PCLIKHOPSA-N	501.026	7.209	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1	408794863	KHMNQCWGVNDJOT-UDWIEESQSA-N	523.358	5.890	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795920	NRAMQHCPKFLRTD-BUVRLJJBSA-N	512.968	7.183	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	408799203	YKLDIDMMSFDSNI-VXLYETTFSA-N	525.786	6.234	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408817989	XLVCVYNJOWCZCD-BIKKEBSBSA-N	594.542	8.831	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)cc2)cc1	408823113	CQOIIZNPDVWDPI-NLRVBDNBSA-N	509.005	7.352	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(C)c(C)c4)c(Cl)c3)cc2)cc1	408823198	NAEDVLJSZXMHDO-OGLMXYFKSA-N	537.059	7.969	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c2ccc(C)c(Cl)c2)cc1	408826709	IXCUVIZFXJZZQS-QLQYKETESA-N	633.170	5.040	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408834058	UHSPOUJLQJWMHL-SBWWSWLISA-N	741.892	5.321	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)c(OC)c1	408834447	UZIHAIAZRDEHQC-BJUCDSOZSA-N	659.548	5.392	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc(C)c(C)c1	408836491	RTDDHQOEQGKGCD-MTDXEUNCSA-N	567.085	8.059	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408839667	BSZUPNFFAXQPHG-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408840414	YOFNNGHMGQEPCO-VVEOGCPPSA-N	629.920	6.294	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408840682	ZTZUDVXDJTUPCM-MZJWZYIUSA-N	521.440	6.397	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cn(Cc5ccc6ccccc6c5)c5ccccc45)cc3)cs2)cc1	408841618	FRXMRAIJFDWXEV-BBUXEPKYSA-N	591.740	8.782	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5C#N)c(Cl)c4)cc3)cs2)cc1	408843547	LZQWKBULJOHVCK-MWBNBJEGSA-N	578.097	7.730	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408846630	QXILSAWOVKNQMC-OJYCWLPVSA-N	598.928	8.212	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Br)cc1	408852239	FDILDGRGSOZVGC-WKIKZPBSSA-N	542.227	6.609	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408858625	ZPFWUBOZHXCVPZ-KKMKTNMSSA-N	521.242	7.107	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(C)cc1	408867800	LUQBMWDSFNDNIR-VXLYETTFSA-N	592.355	6.752	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cccc(Cl)c2)cc1	408874285	AVYFIBUSTLHXGW-LQKURTRISA-N	552.996	5.162	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408882724	RZFUNCCKDAGHRE-LGJNPRDNSA-N	626.232	5.556	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408886576	KOWCBGQEZRWEKM-STBIYBPSSA-N	517.379	5.984	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1	408886849	MPBMFLFLXQIRAG-UDWIEESQSA-N	525.830	6.798	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OC(=O)c1ccccc1	408892050	AFHDJXKUHMLHES-ALQBTCKLSA-N	656.561	6.903	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1cccc2ccccc12	408898101	UOECQZFJWOGUSL-UDWIEESQSA-N	582.281	8.042	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)c([N+](=O)[O-])c1	408925902	UTWFTRDXBNBDTN-WOJGMQOQSA-N	508.328	5.491	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c(OC)c1	408926937	ZXPHTNQBVSCRGX-VZNCFUDISA-N	714.735	6.058	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408956205	PWSGUWFWUNUNEL-SHSKVIJMSA-N	563.392	5.063	50	40	KKGB	
COc1cccc(OCCOc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2OC)c1	408968826	BVKCPUKYKHPBQY-DEDYPNTBSA-N	537.410	5.778	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408972156	SZQBEFAJVOSFMR-UZUXJTFHSA-N	665.412	6.712	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408974378	YNTLRFIEKXIMLF-RWPZCVJISA-N	518.466	5.458	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	408982923	ZTLMYQWAQXQCGU-IQZHWODWSA-N	527.624	6.430	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)cc2)c1	409014486	PPRRZHKITPRFIP-SVGYCHNTSA-N	658.110	7.503	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409026347	MJHFMGMPAJRXCX-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccccc1F	409037125	XNZRFHWMYZPHPM-KVAAJVFYSA-N	631.527	7.807	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409064727	DVDMPNMRTQSOCY-KGENOOAVSA-N	503.942	6.110	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1cccc2ccccc12	409071393	JRVHEOVWLZIZQS-MTDXEUNCSA-N	502.614	7.318	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)n1-c1cccc(Cl)c1Cl	409132532	JZTDEDIAMYFCSD-YPXUMCKCSA-N	515.293	7.091	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409139684	CWSBJBFGDGDLCP-DQMKJMRDSA-N	585.225	5.369	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccc(Cl)cc1	409140800	SNUBWCVYBLGRCK-ZCTHSVRISA-N	565.095	5.492	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C	409151460	BMIMFRHUAYHUTJ-VVEOGCPPSA-N	669.303	5.411	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)c(Br)c1	409153054	GVEZDYRJIQDNNN-FETIRDHMSA-N	553.240	5.358	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1	409162789	HUICAIHQPLDALB-IBBHUPRXSA-N	660.363	5.587	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409170157	SRFITMDWEMAPRG-VFLNYLIXSA-N	547.826	5.316	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	409183370	BNSVPFHFMZDVCG-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)NC1CCCC1	409190703	VIZBGNADCDHTOJ-BOPFTXTBSA-N	506.771	5.489	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc(C)cc1	409191297	UVXUYRLPTNGPFM-ODLFYWEKSA-N	516.379	5.153	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3ccccc3o2)nnc1-c1ccccc1	409196353	ZJQXITQFVHSMGC-YUMHPJSZSA-N	512.551	5.535	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1	409211599	LYGNDQUAWZJPSH-JAIQZWGSSA-N	526.330	6.160	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl	409213339	SLFOMNPEKJHOQI-KKMKTNMSSA-N	601.293	6.428	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409262411	IOCRYENJPCJOQA-KOKCXWAISA-N	698.643	8.113	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409271161	KELYTXRPGJEBAV-LGJNPRDNSA-N	573.356	5.016	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)ccc1OC	409334619	ULPZMXHVOFIWHC-MUXKCCDJSA-N	594.833	5.703	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409361176	QQGNSIZVPCCKDI-PNQUVVCRSA-N	630.164	7.058	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409361248	BQYDMDPCPBGPPX-WQRHYEAKSA-N	585.373	5.311	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	409373269	POFOEPQQPKAMBC-WKULSOCRSA-N	568.265	6.716	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409384495	CUBRIIAKAQIYHE-ZRGSRPPYSA-N	524.693	5.585	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)n1	409386440	LMXPXYLWYFTWCL-CAOOACKPSA-N	549.650	6.505	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(C)=O	409394682	DOZZAQLOLCUNFT-UHFFFAOYSA-N	695.353	7.821	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)c1	409395661	QKSCVBLGNBCFCT-UHFFFAOYSA-N	672.333	7.223	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409397246	HWGHFYVPWYLZRL-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397560	LEYXSLKBJWIYAP-UHFFFAOYSA-N	557.990	6.472	50	40	KKGB	
COC(=O)COc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409400761	FINUKXDWTSXWHQ-LPEPFOFCSA-N	689.357	6.115	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Br)cc1	409401409	HBBLGUFIMVEFEG-UHFFFAOYSA-N	707.419	8.143	50	40	KKGB	
COC(=O)[C@@H](C)n1c(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409404571	QHIIQALIODPDQF-FZABBCPUSA-N	552.631	6.027	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1	409409785	RCKLWRICBFVJRJ-HQDYHJHZSA-N	613.026	6.811	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	1529547999	VDIYFKCCBUWZFL-MKEMXLLOSA-N	716.010	5.265	50	40	KKGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21	1808767	LNIZLCZTEKNSTC-PPOKSSTKSA-N	533.628	6.542	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	2705777	BQRZNYRVBHHJBM-KCSSXMTESA-N	599.510	5.970	50	40	KKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(OCc2cccc(Br)c2)cc1	3088071	QKOZDRQZXRLIFR-RDRPBHBLSA-N	501.380	6.584	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3c(ccc4ccccc34)N[C@H]2c2ccccc2F)[C@H]1Cl	8426384	FCEVFWRDUFKIQW-GTJOBJBCSA-N	505.014	7.926	50	40	KKGB	
C/C(=N\NC(=O)COc1c(Br)cc(Br)cc1Br)c1ccc(Cl)cc1	8427117	XHFFTWMLTBHNKO-ZVBGSRNCSA-N	539.449	5.547	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C	16309998	RYJNBVWZKFHUTE-ZTKZIYFRSA-N	512.075	6.196	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(I)c1OCc1cccc2ccccc12	97960694	KMZXKDIURMKRST-CVKSISIWSA-N	610.451	7.731	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	97960926	MKKIKSOXDMZFPV-QXUDOOCXSA-N	540.450	7.647	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2)cc1COc1c(Cl)cc(Cl)cc1Cl	97966627	CQFWYTUEGONIDY-RVDKCFQWSA-N	642.891	5.156	50	40	KKGB	
Cc1sc([C@H]2C(C#N)=C(N)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)cc1CN1CCOCC1	98008210	KCOREKZHGSQARH-XMMPIXPASA-N	528.600	5.212	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3nc4ccccc4s3)=C(C#N)[C@@H]2c2ccccc2)cc1	98048555	CYGMRLHHHQPBEL-NDEPHWFRSA-N	609.733	6.180	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)o2)cc1	100211121	LJPSHPWUMIQZJB-ZCTHSVRISA-N	559.644	5.086	50	40	KKGB	
COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1Oc1ncc(C(F)(F)F)cc1Cl	100943872	XIXXJXXOZJDLMA-RQZCQDPDSA-N	529.323	6.546	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1Br	101284091	HJPZSDNNXBEXLH-NTUHNPAUSA-N	537.164	5.239	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	101553013	OYZGKVHMPVYKDJ-MUUNZHRXSA-N	578.521	7.113	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1C#N	103884151	DEOLATJKNGWZBL-XYGWBWBKSA-N	618.475	5.396	50	40	KKGB	
N#CS[C@H](C(=O)c1ccc(Br)cc1)[C@@H](Nc1ccccc1)c1ccc(Br)cc1	104808074	VGXKBMHGGGJAIO-UNMCSNQZSA-N	516.258	6.831	50	40	KKGB	
CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341171	UTKRRHRPUAWUHZ-BYPYZUCNSA-N	652.073	8.235	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3I)cc2Br)c1	150477684	CAOXYCPWUGIWPE-VCHYOVAHSA-N	652.124	7.249	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)CC)CC[C@]4(C)[C@@H]3CC[C@]12C	253499395	GBVDXIUBLNGDMK-MHRRWGKLSA-N	535.651	9.401	50	40	KKGB	biogenic
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1cccc2ccccc12	408531625	OQTOMFCYLKAQIA-MHDJOFBISA-N	507.512	6.008	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC	408538691	PDUKIBVGPJVTCL-ZHZULCJRSA-N	529.431	6.139	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2OC)ccc1OCc1ccccc1	408539777	YWLHCFACKYTCJA-MFKUBSTISA-N	647.953	8.213	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)c3ccc(Br)cc3)cc2OC)ccc1OCc1ccccc1	408541065	XOXBTAPLWDRYET-CVKSISIWSA-N	649.379	8.841	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408554695	SVIOOQOEFVSLCA-YBFXNURJSA-N	607.486	6.693	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	408570843	ZFAIOCNNAXEZSV-VFLNYLIXSA-N	748.300	7.403	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)cc1	408579520	HHGFCXBAXOZDIQ-WOJGMQOQSA-N	533.241	6.352	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	408724725	BEVPOJBSPXTNDN-ORBVJSQLSA-N	551.224	5.626	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)C(=O)NCc1ccccc1	408745860	AMEOVRXQACBMEA-NDENLUEZSA-N	512.322	5.233	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408745915	AURPGOOXZZKAOV-MFOYZWKCSA-N	635.106	6.797	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408750586	PBIIUZOVUBDGHO-LJUMEUDFSA-N	550.398	5.867	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I	408750844	SIRNVEJFQUGVET-OHUYPAJKSA-N	713.313	5.733	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408751504	ZZTUWKLKTGRDGY-KYHGBAKBSA-N	814.199	6.466	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(C)C)cc1	408754221	JEWADYMDLPPXDR-BTSCWMHGSA-N	508.427	5.015	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(Br)cc1	408791417	XJHAZFQGPWDPTB-LZYBPNLTSA-N	611.117	7.652	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc2ccccc12	408792296	AGOJWJRRLVVTPQ-WSDLNYQXSA-N	517.412	7.588	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408792861	LVIUXOBNDKWQEY-UDWIEESQSA-N	708.290	5.962	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(I)c2)cc1	408813035	CYKFJOAVYATSLH-MNDYBZJGSA-N	658.290	6.047	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408830724	OFCYULLXIUMLEA-YQCHCMBFSA-N	568.699	5.600	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408839740	WAOSDQGKBPRQJI-UHFFFAOYSA-N	653.794	8.166	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408839869	WVDJPGOVOXQHOW-IZYHBKOJSA-N	707.002	7.960	50	40	KKGB	
COc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408840557	ZGYOQDVKGLDNOG-XODNFHPESA-N	571.884	6.751	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1	408840891	CVQCNFHCANLZAF-IZYHBKOJSA-N	707.002	7.960	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408848818	VZUVGYHPXAIGAY-IDWIKUEFSA-N	700.533	7.707	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408874335	AFJYXGLHYOXZBL-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408877580	VWGCZSIWRFIMJM-GIJQJNRQSA-N	545.901	6.790	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1	408877856	XJOODMLCJWSLQZ-UACWCTJZSA-N	695.241	6.546	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc(Cl)c1	408879978	GJWDYTUSYBIECJ-RIYZIHGNSA-N	543.717	6.257	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)cc1	408886319	GCHJCTCKJJPZEY-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
N#CCOc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408891373	PPANFKAUOSKOTE-ORBVJSQLSA-N	664.245	5.868	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408894342	HURYCDCBELOUAK-OQLLNIDSSA-N	777.185	6.355	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OC(C)C	408904364	IIDNGRNKPLFCSK-KSEXSDGBSA-N	560.230	5.704	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1c(Cl)cccc1Cl	408925352	RJRRDGBMYSEDLN-HAVVHWLPSA-N	523.419	8.424	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)OCC)cc2)c(OCC)c1	408941606	DYDHBARYSCQDED-WJOKGBTCSA-N	709.221	5.379	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c(OC)c1	408957542	UVBZQFZKZWRCHG-PXGAREHLSA-N	635.721	5.490	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cccc(C(F)(F)F)c1	408964766	SAEBHEDCVGUWFM-HIWRWHBISA-N	606.236	7.727	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1	408973536	TYFLBEMTNJLIHK-ZJQOQBNQSA-N	615.517	6.089	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c2ccccc2)cc1	408978827	KNPGADZVOBREGR-JBIOKXMTSA-N	556.471	6.122	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(I)c2)cc1Cl	408984940	UMXKPXNUXYUBDP-ODLFYWEKSA-N	528.777	6.378	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	408985081	UZHZNYIROQKALV-NVMNQCDNSA-N	590.699	7.307	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)[C@H](COCc4ccccc4)NC(=O)OC(C)(C)C)o3)sc2c1	408991416	NZJSERWCDUZNKB-KIZAIXKYSA-N	596.731	5.999	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1	408993557	WEGPOKPWLSOMMN-SCBRRTOMSA-N	609.689	6.581	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409010416	DUDUFQHVLUCGDK-VPUKRXIYSA-N	683.680	6.503	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1	409027406	HICKNJZTCNVPQA-ZTCXCAHESA-N	609.546	5.954	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1F)c1cc(-c2ccccc2)nc2ccccc12	409037875	OASJLXVGOWMZPV-KVAAJVFYSA-N	633.315	7.909	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	409049419	WSMZTWCVRNOIKF-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409070620	CUNWZYDKNDEEIH-CAOOACKPSA-N	624.207	7.053	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(C)cc1	409075077	TVQVPYKSADLKAP-BUVRLJJBSA-N	520.551	7.266	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2c(C)cc(C)cc2C)cc1	409160850	ZTVGHYOSRXSCBB-WCMJOSRZSA-N	593.478	5.045	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c(OCC)c2)cc1	409165103	SMIYBRJWXXJPOP-DPNNOFEESA-N	639.547	5.750	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)c1cccc2ccccc12	409182484	LNIDXCAZPQKLDT-VXVATOQESA-N	616.504	7.113	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409224817	MERYFLBPFZCETJ-UHFFFAOYSA-N	644.433	7.646	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409227699	VAHGTFBTGSYQFU-SHFXPWBLSA-N	670.869	7.756	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409232168	NJLVMSQTTZPORW-YVLHZVERSA-N	653.370	6.411	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2cc(C)ccc2C)c(C)c1	409256020	NKJZLRIBOBFVDN-LPYMAVHISA-N	532.438	6.246	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409256864	QJJCVRAJHIEBOV-GZOMZLSJSA-N	668.219	8.312	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1C	409258947	WPKPTQQZWPKXMI-PPDIBHTLSA-N	515.353	5.300	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccccc1C	409271266	TXQRXOLLUBGQPU-UDWIEESQSA-N	581.410	5.480	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409272782	SIERZXZSNQLCOH-KOKCXWAISA-N	745.643	7.955	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	409311005	DCNQCWLVQJSWEE-YKQZZPSBSA-N	511.534	5.525	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)ccc1OC	409323102	NFLJAOOGKKBECX-MUXKCCDJSA-N	516.381	5.182	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1OCC	409324311	SDXSOSSRORKBBZ-MWLSYYOVSA-N	501.410	6.524	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409337216	XIBPZQDCYKYSKC-LEWJYISDSA-N	627.344	5.573	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	409364002	MUTLSPXQMWFFKE-IPBVOBEMSA-N	680.111	6.344	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)cc2)Cc2ccc(Cl)cc2)c(C)c1	409369127	DCFUJTHIXCMTIF-MUXKCCDJSA-N	518.466	5.260	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409375010	DBPZAWYZKSDUBG-VXLYETTFSA-N	525.359	5.396	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1cccc(C)c1	409389884	CTVQUNQQLDOZSG-NHDPSOOVSA-N	513.350	6.781	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409392934	UEODWVVKNRKZPD-APTWKGOFSA-N	624.906	7.205	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)[nH]c12	409394894	HDJQVGYBPMDNQK-UHFFFAOYSA-N	563.411	6.452	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)cc1OCC	409394952	HZAFKBMXWXVVQB-UHFFFAOYSA-N	660.952	8.031	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)cc1	409395094	JVQLORPFMSHERB-UHFFFAOYSA-N	757.220	8.256	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(OCC)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409396564	ZCEOYRFOSREERR-UHFFFAOYSA-N	705.005	8.430	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398337	SPIAPDFUGMAEKC-UHFFFAOYSA-N	583.000	6.778	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC(=O)N1CCOCC1	409400138	BPCCVPOQBDNDLQ-GKVNEZTPSA-N	640.737	5.395	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3cccc4ccccc34)o2)cc1	409400601	DSDGZZXBBFCCTH-GKVNEZTPSA-N	569.661	7.762	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccc6c(c5)OCO6)cc4)c3C)o2)cc1	409401434	HCAINAPEQHSUMB-FFKGLWRNSA-N	656.739	7.745	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1C	409405132	SGAXJXZYCSFLLW-WBIBEUCMSA-N	651.676	6.273	50	40	KKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)o1	409409118	NGMCSYPWKKSJFL-KYHGBAKBSA-N	537.572	6.297	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	1529548989	RNVPDJKSDPPYRL-VVYBVRPNSA-N	736.472	6.229	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2F)c(OCC)c1	1529549377	XJGADLLWCPQXJP-RNMNIPMUSA-N	746.599	5.293	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)N1	2298517	NJGVOBDEXFHFHC-SANMLTNESA-N	549.483	6.700	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	2775925	TVIGDVPXKMINIJ-RPPGKUMJSA-N	502.448	6.425	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	3143657	CMFABTXPXCJNAY-JJRPROGJSA-N	513.937	5.250	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136373	WSVGRSLQYIDBPC-JMFILQQVSA-N	580.877	7.857	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c(F)c1	9259509	ZQSDQYPRBFEWBE-FJEPWZHXSA-N	502.343	5.956	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1	9836735	VLZRIRIONRDNOG-VEILYXNESA-N	506.031	5.619	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1C	20243698	SQMGUECCOOGHOZ-RPPGKUMJSA-N	504.881	6.369	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2C)=C(C)N1	20347773	SEUWVGRKWPVGFN-HHHXNRCGSA-N	512.635	5.857	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1	33355027	DPIQAOOPIOOLKQ-CQLRZOMNSA-N	639.550	6.436	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1	33656571	JFJHKYCGQRSQMA-UQQQWYQISA-N	522.626	7.025	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc(OC)c1OC	35126527	TUKFTEDENARWMF-UUASQNMZSA-N	504.395	5.612	50	40	KKGB	
CC1(C)O[C@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)CN1C(=O)CI	38549617	RWFLLQUFBKGYBI-HDUISLOCSA-N	513.504	6.188	50	40	KKGB	biogenic
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1C	58915367	XOUWNOHRMPPGAZ-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)CSCc1ccc(F)cc1Cl	97948096	DYSHIXLAMNHXDQ-UHFFFAOYSA-N	552.118	5.559	50	40	KKGB	
CCCCC[C@@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)CCCCCCCC(=O)O	100010955	HTORNZPNCYXGMR-VQHPVUNQSA-N	600.068	7.826	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1	100129898	KNJLGIYUUDKCGK-APTWKGOFSA-N	597.568	6.093	50	40	KKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3CC[C@@H](Br)[C@@H](Br)CC[C@H]3[C@@]1(Cl)C2(Cl)Cl	100186601	XRFONNJUMOCNHA-OUNNGCSBSA-N	540.765	7.165	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1	100221104	QBNWZQPAKKLBJR-RUMWWMSVSA-N	557.672	5.318	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303656	BJTMSNJMCZNAHD-HNSNBQBZSA-N	608.116	5.590	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OC(C)=O	100933878	XRKWUSIZZXLFIW-APSNUPSMSA-N	523.364	5.677	50	40	KKGB	
N#C/C(=C/c1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)/C(C#N)=C\c3ccccc3)cc2)cc1	102930710	VWUCFRHXPPHNHI-ULLHUXCLSA-N	537.579	6.030	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	103148863	UDBFSSWSUPTNFK-OTNCWRBYSA-N	612.482	6.599	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	103846500	PKWOKOIRMORVJA-YSMPRRRNSA-N	597.456	6.771	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Br)cc1	105226703	LWRIKDDEICWSAY-WOJGMQOQSA-N	531.328	6.601	50	40	KKGB	
CC(=O)O[C@@]12C[C@@H]3CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@@H]5[C@@H](C)CCCC(C)C)[C@@]3(C)C[C@@H]1[C@H](Cl)C2=O	118936419	GXMVZVDZUMWBHC-AWCRPDQCSA-N	505.183	7.826	50	40	KKGB	
CCCCCC/C=C\C=C\[C@@H](CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C=C\[C@H](CCCCC)OO)OC(=O)CCCCCCC/C=C\C=C\[C@@H](CCCCC)OO)OO	150339549	SOQCDTNXVWQPLF-QXZLOUIPSA-N	989.426	16.220	50	40	KKGB	in-vitro
ClC[C@@H]1COc2cc(Br)c(Br)cc2OC[C@H](CCl)S[C@@H](CCl)COc2cc(Br)c(Br)cc2OC[C@@H](CCl)S1	221870776	XBMCKLVQXOBVAV-GEEKYZPCSA-N	902.014	9.862	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccccc1F	408544738	XJEMKUXUZWSXHP-JAIQZWGSSA-N	520.402	7.123	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1cccc(C)c1	408570636	XHNHMCHJPMMOJG-WKULSOCRSA-N	543.110	6.244	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccccc1[N+](=O)[O-]	408598917	LBLNGSLZAOQLOQ-WYMPLXKRSA-N	627.176	5.147	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	408643785	PZNARIBBWBMBER-JVSBHGNQSA-N	610.730	5.119	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408649853	LPSNJPOGDIKRND-UDZALUMHSA-N	828.135	6.993	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1ccc(N2CCCC2)cc1	408678453	ZFESBJZIJJGSRH-LQKURTRISA-N	604.286	5.997	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408740338	FPSPKVXTQGHITL-GOJREDGKSA-N	586.489	8.598	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408743912	ICSNFKPVYYCOGT-WQRHYEAKSA-N	593.248	7.121	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1	408744545	FWXSJESZGDBXHE-ODLFYWEKSA-N	526.228	6.645	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408750272	ZAAVLUGSNYIOQQ-OGLMXYFKSA-N	613.446	5.078	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1cc(Cl)ccc1Cl	408759555	GYJUJNQDDGLROG-LUOAPIJWSA-N	511.192	6.082	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408760446	YUCPEAMBKMHVSN-RGEXLXHISA-N	588.423	5.312	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(Br)c1OCc1ccccc1	408762276	DLFHPZOVSKMCOM-WQRHYEAKSA-N	589.227	6.187	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(O)cc1	408788091	AZSABGKAMHKNPP-GIJQJNRQSA-N	553.210	5.914	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc2ccccc2c1	408789399	PTJNWRVPZXHWBA-YDZHTSKRSA-N	619.415	6.876	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)c1	408790334	OZOUVUGVQHYFSL-UDWIEESQSA-N	542.804	6.686	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(C)cc1	408790777	YMWFUZBAANIAPS-KEBDBYFISA-N	572.830	6.695	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1	408792383	AYNGFXKCDPDHMJ-PCLIKHOPSA-N	555.428	6.904	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1	408792795	CPDDDWPXYMJHTG-YBFXNURJSA-N	652.245	6.722	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408793013	CRKBLMHATTZJFS-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408793699	PZFKBBYOEZGUKI-QGMBQPNBSA-N	512.349	6.343	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1C	408796823	ZGTCVFCCGGEXSO-VXLYETTFSA-N	760.151	7.242	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408798550	VPKFPJZSHGFPHV-VCHYOVAHSA-N	556.800	6.534	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2ccccc2o1	408813202	OROYYGDKGWTFRS-FXMZOFOKSA-N	597.090	7.608	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408823512	DSELBJQYZBVAQQ-LPYMAVHISA-N	581.858	8.490	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC	408831872	PNYYCZOIKVJWKY-MUFRIFMGSA-N	588.524	5.244	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)c1ccc(Br)cc1	408840594	ZLTOVNQYWQQZFA-KCSSXMTESA-N	631.439	5.991	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc2ccccc2c1	408842111	LVXUWXHPKDGOOQ-ODQASSKESA-N	716.523	7.944	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(Cl)c4)cc3)cs2)cc1	408847977	WGWZBJMTTXBRPL-AABVJFSESA-N	632.529	8.420	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)c1cc2cc(Br)ccc2o1	408853708	QWNVNYKSWFIQEX-OPVMPGTRSA-N	567.577	6.543	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCC#N)c(I)c2)cc1	408857570	OJLMQNMBFCIJEA-LJUMEUDFSA-N	686.291	6.328	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1cccc(F)c1	408860966	JSQXEIWHOVMFIW-IURWMYGYSA-N	605.475	6.315	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408869487	PRCDGKRGPNNVNI-VFLNYLIXSA-N	602.765	7.629	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408874085	YHILFDWPJJHHGG-AWQFTUOYSA-N	575.876	6.865	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OC(=O)c1ccccc1	408880594	IMHSAYLRKWARFV-DHRITJCHSA-N	579.188	5.045	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OCc1ccccc1	408882339	QUHAZXGVNNUWMD-VCHYOVAHSA-N	512.349	6.425	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Br)cc1	408888762	AHJFAKXXSDHGQZ-XDHOZWIPSA-N	525.786	6.014	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	408889642	IHFTZGFOLFUIGI-XMHGGMMESA-N	531.793	7.021	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2OC)cc1	408891742	UOZOMRPMFFVFIQ-MHWRWJLKSA-N	623.230	6.380	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)c([N+](=O)[O-])c1	408899444	PGSBYGADDKWQAC-RQZCQDPDSA-N	561.219	7.097	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2Br)cc1	408900001	SFBCDRXENNMKHE-MHWRWJLKSA-N	576.812	5.633	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	408952479	WBEFNUXIVWQCHQ-MHZLTWQESA-N	706.446	6.220	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1	408972013	NSJCWKQCVCLIOW-OJIMSSLDSA-N	699.429	6.989	50	40	KKGB	
C=CCOc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408972703	QUPLLDYPFGPAPY-BKICRHHVSA-N	536.456	5.015	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1C#N	408973629	ZSDITUGITLTQOF-UUAJIBDESA-N	635.559	5.667	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409006011	GYUASLYBBVSRAJ-AQAGRAQRSA-N	744.687	6.584	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(C)cc2)cc1	409006392	NOXHHTWONXQHDW-UNGVOMFMSA-N	534.568	5.606	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008343	WFDVIVICFBIVJZ-KMUKQRDJSA-N	616.556	6.707	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409013414	UWAFDELRTUIZFP-GKVNEZTPSA-N	595.740	6.272	50	40	KKGB	
N#Cc1ccccc1Cn1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc21	409036505	LJQGXUCZSBUMTG-OJYCWLPVSA-N	505.581	6.540	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409123986	JMWYTTRQLSQXFL-XMMPIXPASA-N	633.356	6.312	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Br)cc1	409124050	GMIMRJAYOXUNOG-SANMLTNESA-N	706.419	6.414	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(C)cc1	409138187	ZJFCQLXUXVHMND-RUZDIDTESA-N	522.443	5.465	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)cc2)CC1	409185971	UBMBYTJGRPSFRU-FDALDRLYSA-N	678.027	6.785	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc34)cc2c1	409186636	FUXVTZVFDWQGJK-LQNQUEJISA-N	509.518	6.236	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)COc2ccc(Cl)cc2Cl)nnc1-c1ccccc1	409189718	RTJLZRHKLNXZMO-CCVNUDIWSA-N	571.446	5.860	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409213556	UTUJLGSHSZQQMR-RPPGKUMJSA-N	568.718	6.686	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1ccc(Cl)cc1	409221924	BQUSHDNKRKKUBO-WTYJXDNXSA-N	576.996	5.215	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1	409224017	IGZOBJPKSMYVKY-ACXHZZMFSA-N	577.380	6.137	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1	409228242	WHYYJQKKHLNDAS-CTPANLQCSA-N	525.830	6.474	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409243834	UYDYAMCJSMYFPQ-HSGPEQJXSA-N	560.275	7.128	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2cccc(F)c2)ccc1OCc1ccccc1	409310801	BYBKMQKSZKTGFC-DLCNMLRHSA-N	656.346	7.671	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OC	409320882	CVCMUZCNABQGNZ-FDVSRXAVSA-N	571.424	5.296	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)ccc1OC	409323748	PSMUPLOBRRBFQW-QDTIIGTASA-N	507.801	6.397	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409325544	ZUNRBWSOLACWDU-DICXZTSXSA-N	537.421	5.322	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OCC	409330481	APFBNJAXOVUPOA-MWLSYYOVSA-N	586.985	6.299	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409331939	INPCLVSRNBVEAG-WOJBJXKFSA-N	613.317	5.264	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409364787	PGUHLSBIOIAEHP-VYYCAZPPSA-N	560.242	5.255	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1)Nc1ccc(F)cc1	409365092	SPBNOWIWJZEYGC-OHUYPAJKSA-N	565.630	6.474	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)[nH]c12	409395193	KVCZOERIPAJXOU-UHFFFAOYSA-N	590.861	7.389	50	40	KKGB	
COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)[nH]c12	409395420	NIIFAIAKBSUIQU-UHFFFAOYSA-N	647.323	7.352	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)c1	409395458	NVYLYAIYPCYSOH-UHFFFAOYSA-N	678.324	7.494	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397364	JCBUFVGOJGIYGN-UHFFFAOYSA-N	606.860	7.226	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)c1	409398151	RFLOKHZMOXYSRR-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)O	409403829	OGBQKXGEGOWCNU-UHFFFAOYSA-N	596.434	5.265	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	1529547835	PQOCRNAUZDUWSX-AHKFIOAWSA-N	860.512	6.513	50	40	KKGB	
CC(C)(C)[S@@](=O)N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1	1857795125	NSZNZJQIBJWIOZ-CZNWIGJESA-N	605.809	8.685	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cn1)C(n1cccc1)=C(C#N)[C@H]2c1cccs1	1432882	LVDNZBBEIUTLGX-QFIPXVFZSA-N	505.441	6.346	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(Cl)cc2)cc1	1790594	ZTEMVFHRWQTNAX-YDYXIROLSA-N	508.430	6.367	50	40	KKGB	
N#C/C(=C\Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	1817207	HQWXMRDMJZLDSE-NBVRZTHBSA-N	588.870	7.540	50	40	KKGB	
CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1O	2323835	IUPFULCNKZJKBM-CCVNUDIWSA-N	542.448	5.588	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1Br	3232349	MSCLWTSHPFEKBO-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
C[C@]12CC[C@@H]3c4ccc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)Cc1ccc(N(CCCl)CCCl)cc1	8101101	LRSFXIJGHRPOQQ-ZOWQOWNYSA-N	788.684	9.413	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59855904	ISJUAOKELDHLOK-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C(/C)c3ccc4c(c3)Nc3ccccc3S4)c3ccccc3n2)cc(OC)c1OC	97980767	GCKRDGBIBRRYAM-WBIBEUCMSA-N	576.678	7.290	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C#N)[C@@H]2c2ccco2)cc1	98048901	WPCYGGKJCNUNKL-AREMUKBSSA-N	601.050	7.221	50	40	KKGB	
O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O	100026368	GDMKBGZBHZWAHN-HEFFKOSUSA-N	608.566	7.258	50	40	KKGB	
Cc1ccccc1N(C(=O)[C@H](Br)CBr)[C@@H](C#N)c1ccccc1OCc1ccccc1	100151486	QYVIONDQMAYCGZ-GGAORHGYSA-N	542.271	6.330	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1	100233209	ZJLVTLFHFAHBGA-LUOAPIJWSA-N	563.191	6.753	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1Cl	100336522	LCILOBCIUIHGBT-WQRHYEAKSA-N	544.776	6.078	50	40	KKGB	
N#C/C(=C\Nc1ccccc1I)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	100719361	HBNNOVVHYIUCNU-JLHYYAGUSA-N	542.314	5.406	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C\c1c2ccccc2cc2ccccc12	100859140	WGOLMDQUTCRKFW-APTWKGOFSA-N	548.071	7.137	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)Nc2ccccc2C)c1C	101069072	STLCXPLWFKKSTI-HMMYKYKNSA-N	528.659	6.894	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	102783959	WPVUNAVNDGKWMC-AREMUKBSSA-N	549.483	6.700	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	102810176	ADLLRFJXUPHKPR-NDEPHWFRSA-N	540.664	6.458	50	40	KKGB	
CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)C1	102975339	RIDOXIWGNBEEGE-UAYHJLGWSA-N	550.637	5.208	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528883	DILMETHKDUGZFT-UWTATZPHSA-N	592.002	7.117	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)cc(I)c2O)cc1	103877835	AZEJYTPDZJJQPG-RWPZCVJISA-N	600.254	6.289	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(F)cc1	103882306	ZQBCJOLTOZAGMH-JAIQZWGSSA-N	542.348	5.241	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(Br)cc1	103889150	FTVLCRLYUFLKOL-STZFKDTASA-N	586.313	8.008	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Cl)c3Cl)C3=C(O)CCCC3=N2)cc1C	104148687	VKBJTVKHXKEXMI-HSZRJFAPSA-N	512.462	7.252	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342196	FRQAGMSXVKZWKI-REOHCLBHSA-N	742.023	9.022	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	164340031	IVPAOQQCFVCRJT-JAIQZWGSSA-N	752.188	6.984	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	164713078	UEYZHCWNYRWRHS-ACAGNQJTSA-N	627.047	5.777	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@H](I)CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795352	LRJANUDGFSIFCC-GHMZBOCLSA-N	644.113	8.500	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408527496	OLJCARSGIFPZAD-RPPGKUMJSA-N	691.101	5.766	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1	408538447	MYYHCUIGFNPQHF-ZTKZIYFRSA-N	518.613	6.467	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(C(=O)OCC)c1C	408546035	CWOVSTRUQDSKMB-UDWIEESQSA-N	630.944	7.124	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c(C#N)c1C	408546508	KJPILPIORNBUPU-WQRHYEAKSA-N	517.588	5.883	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408554693	SVBUZTSVGOJJAK-BCHBDCPOSA-N	600.094	6.300	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	408554731	ULQYURZNGLIMRJ-NTEUORMPSA-N	512.816	6.720	50	40	KKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408565951	COGBDGRJKDSSKR-FJEPWZHXSA-N	686.759	7.119	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCc1ccccc1Cl	408599394	UFHZZDFZEDOTAW-WOJGMQOQSA-N	587.870	7.455	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408645589	SMDJMDWMDQPBES-IMWYJMLKSA-N	749.045	6.933	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408657622	NGLYQPUPXKNZMS-HABRPXLESA-N	707.437	7.268	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1ccc(N2CCCC2)cc1	408677049	OTGSQWKTVZAKBI-KCSSXMTESA-N	607.346	7.308	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408678869	DPPGYZSGLAFMIS-GFBDQPOWSA-N	646.119	5.237	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c1	408710599	POFKKWHEYZDFJO-KKMKTNMSSA-N	627.127	6.334	50	40	KKGB	
CCOc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OCc1ccc(Cl)cc1Cl	408741185	KLTNBFIKZAHCLV-GXHLCREISA-N	596.312	7.742	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408744058	WCAGJEJDRSRPTL-NDZAJKAJSA-N	510.391	6.931	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1	408745274	QTFHZKKBYNNFBN-NVMNQCDNSA-N	694.263	6.148	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408747301	LUSIYKLWBHDJMI-MFOYZWKCSA-N	634.224	6.095	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)sc(C)c1C	408749312	FPBLBYQMAUISAV-MNBJERMJSA-N	529.662	5.335	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408752034	BIXSGPSGGFVGFK-XDHOZWIPSA-N	588.423	5.230	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccccc1F	408758105	GPQQSHLSRDNUPP-ZDLGFXPLSA-N	529.793	6.765	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC	408764278	WNQPZIOZJZWYBM-DHDCSXOGSA-N	504.178	5.168	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccc(O)cc1	408799392	YXHKNIYWOKDEAO-LPYMAVHISA-N	546.364	6.275	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccccc1	408820665	ZEAQJYAAWHLRPV-MWLSYYOVSA-N	519.395	6.275	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(=O)(=O)c1ccccc1	408837578	JBGXDBZHYYSXFG-KVAAJVFYSA-N	707.430	6.698	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408838036	BMNWWCAOKKRKSE-ODNPBWNPSA-N	611.167	8.566	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc([N+](=O)[O-])c1O	408847601	NSICBWAQZAQEID-WOJGMQOQSA-N	538.354	5.586	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCc4ccc(Cl)cc4Cl)cc3)cs2)cc1	408849436	YMPHJRHILPKTGT-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc(C)c1	408856783	LLMPHZHJMLPMQQ-MBTHVWNTSA-N	554.384	6.087	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(C)cc2C)cc1	408862416	FSLWWSXUXANPRY-ALQBTCKLSA-N	619.143	5.628	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1c(Cl)cccc1Cl	408882317	OPKXESTYHLHDDL-OVCLIPMQSA-N	709.536	7.981	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408887241	NDZLCEVFYKAMRL-IPBVOBEMSA-N	712.273	6.372	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1[N+](=O)[O-]	408897481	XGSAWGXGEFCPLF-MHWRWJLKSA-N	532.361	5.523	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)NCCc1c[nH]c2ccccc12	408947249	BLESNGAJXUXRIH-BKUYFWCQSA-N	579.292	6.538	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCC(=O)Nc1ccccc1	408955158	SZAJCNRWLXVIAZ-BKUYFWCQSA-N	528.996	5.113	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cccc(C(F)(F)F)c1	408961683	DIGDXSTUGQFETJ-VPUKRXIYSA-N	593.170	6.960	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1cccc2ccccc12	408964631	DAANOXBGHXCUCT-IBBHUPRXSA-N	532.369	5.965	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(I)cc1	408964940	UEDFIHNGHHCRGR-KKMKTNMSSA-N	650.223	6.060	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCCOc2ccc(Br)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	408969632	RBOWSWBKJCUNPE-BOPFTXTBSA-N	534.193	7.186	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(F)cc1	408982005	XFIJMJVVMRJKLS-MCJRRVPSSA-N	539.607	5.815	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccc(C)cc4)cc3s2)c([N+](=O)[O-])c1	408993198	VCWPSGQPPZFMGJ-XDHOZWIPSA-N	544.614	6.387	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc(OC)c1OC	408995798	DVXOPNKTFGBVQL-KVAAJVFYSA-N	711.363	6.473	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409015525	BNPCKVUWPJKTOH-NUJZUDFISA-N	565.380	5.022	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2cc(Br)cc(I)c2o1	409020689	SBQYMNMZOIVHQY-VYVUJPJFSA-N	769.986	8.054	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409024023	HEKQUMAEBZNWTG-UDWIEESQSA-N	540.255	6.899	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccc(Br)cc1	409039727	XJVLRWXFEJNALC-MWBNBJEGSA-N	753.460	8.662	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409040742	UIRRTFXWLUVLST-NKHVPTTDSA-N	684.215	9.077	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1	409044029	NOKLEXNCYVDUDK-KMUKQRDJSA-N	570.476	7.950	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1nc2ccccc2o1	409044110	AXGNTZVXAFTBJY-LICLKQGHSA-N	510.185	6.996	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccc(Cl)cc4Cl)(c4ccccc43)[C@@H]2C1=O	409048268	NXWUIZGCTSVGLI-HWCOVLPWSA-N	641.467	5.877	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409050143	ZJSCVHXACNTWDP-LDADJPATSA-N	601.828	5.906	50	40	KKGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1	409112217	KUKNTXCJGRFUCD-ZCTHSVRISA-N	548.064	5.782	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1	409159065	UUULYTXUBQOQBM-PNQUVVCRSA-N	669.303	5.330	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Cl)cc1	409194620	QFHPQLNBCHCRDL-OPEKNORGSA-N	567.621	6.116	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1	409200299	HWGXHFNXPXKFML-KKMKTNMSSA-N	550.837	5.502	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1	409218188	DGSPTNRBUOMFOM-UHFFFAOYSA-N	641.272	6.049	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1cccc(C)c1	409218976	ZEGMXXREMJANPY-UVHMKAGCSA-N	580.875	6.083	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409219307	LDFMTDVQBQRELS-UHFFFAOYSA-N	769.071	8.516	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409224439	LLRMOMWPTUOEPI-SCPBZUFKSA-N	582.056	6.682	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccccc1Cl	409246805	BKNLHXCYRQARHX-HMAPJEAMSA-N	586.857	6.188	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1	409255074	ZCDUGYFMMPSRJW-ZRGSRPPYSA-N	590.228	5.210	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409313511	QCCZUMCYLVBEEO-UXHICEINSA-N	602.418	5.521	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)ccc1OCc1ccccc1	409318445	WOAPVSRMIUAFRJ-MJXLXAJKSA-N	644.400	7.520	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1OCC	409320042	BDZITKVDDIMCAQ-MNDYBZJGSA-N	606.286	6.657	50	40	KKGB	
N#C/C(=C/c1cc(I)c(O)c(I)c1)c1cccc2ccccc12	409320434	BGZXKPFXPSVWSM-ZSOIEALJSA-N	523.111	5.819	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	409363549	UIYYRNVFUPSVIW-WGARJPEWSA-N	516.233	5.792	50	40	KKGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccc(F)cc1	409365627	VDRNGJJBZOTKCL-OHUYPAJKSA-N	565.630	6.474	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	409365705	RNQHGFIFRWXRFC-LJUMEUDFSA-N	610.448	5.742	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	409365724	RQAYJXVHIRZBMQ-KVSWJAHQSA-N	537.241	5.906	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])cc2Br)cc1	409373600	RBPIJEGJNGNGAU-ZMFRSBBQSA-N	561.230	5.700	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384972	HRJYYMZYNBGSKR-KBKYJPHKSA-N	728.262	6.270	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	409386233	OZCSFIGLPOFUST-DHRITJCHSA-N	510.369	5.915	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1	409386816	SIGYSUUDPODDOL-RWPZCVJISA-N	526.530	6.214	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)cc(OC)c1OC	409395209	LADFZGBIFSZHCR-UHFFFAOYSA-N	653.489	6.478	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)cc(OC)c1OC	409395484	ODYVQSRCQJQKFL-UHFFFAOYSA-N	642.506	6.915	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)c1	409395715	QXBIYTNQQRZLEX-UHFFFAOYSA-N	712.769	8.147	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409396909	CVIUUOLGYQPQGL-UHFFFAOYSA-N	539.591	6.980	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397270	ICRJKVOPDACQHR-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397428	JUEQKHGEZWPSTN-UHFFFAOYSA-N	606.000	7.889	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Br)cc4c3-c3ccccc3)cc2OC)c1	409397430	JVFBBWYHYBTNNK-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409397909	PJPGAEJOZXPLOM-UHFFFAOYSA-N	517.541	5.855	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)cc1OCC	409398114	QROYOYUFFMJWKC-UHFFFAOYSA-N	547.611	6.615	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409400249	CFXBOMLPCYQXEF-AELQKBHRSA-N	767.358	6.180	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)o2)cc1	409405444	UBJRGFZZHCZEHE-RODHXAHZSA-N	805.838	8.472	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)nc1	409408272	JXLNGHVRCXIIOO-OHUYPAJKSA-N	521.621	6.141	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	1529547966	SUDIATOTZKOONY-HBPAGYSFSA-N	672.547	5.366	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccccc3)cc2)sc2c1CC[C@@H](C)C2	1785258	IYUOWNWRYDTHNV-MWNPGTFPSA-N	533.650	5.220	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1	1790165	QGMJQOIVFQUJKF-UTDQILSNSA-N	591.289	6.960	50	40	KKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	2665080	BWXXJPVTNZOINI-CCVNUDIWSA-N	500.502	5.060	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1cccc(F)c1	3090250	QNFWTGZSULRWPX-OKCVXOCRSA-N	535.369	5.662	50	40	KKGB	
O=C(O)[C@@H]1[C@@H]2C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]2c2cc(Cl)cc3c2N1C[C@H]1CC=C[C@H]31	6445805	WJEJCBPKPWKMSC-KSKSSRENSA-N	517.434	6.067	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1	8396423	QRKCXYNGDCOJGA-IKKNOINJSA-N	705.420	6.194	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	8411274	CVTAUVLTJCZWBJ-DEOSSOPVSA-N	554.619	6.473	50	40	KKGB	
C[C@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Br)/C(=C/c2ccccc2Br)C1	8783232	WSRKTDJYRJVWBN-YLOOVGJNSA-N	512.245	6.787	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)c1	9310965	QSFXZOBPEPKBGQ-MHZLTWQESA-N	510.619	5.402	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	9375412	LPNVBABGYACKJY-DEOSSOPVSA-N	506.534	5.264	50	40	KKGB	
CCOP(=O)(OCC)C(C#N)=C(SCc1ccc(Cl)cc1)SCc1ccc(Cl)cc1	16688017	FTYCDNQPUQHOCA-UHFFFAOYSA-N	502.425	8.119	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc(I)cc2)o1	33353379	FNTCPZIWQLMBCB-RWPZCVJISA-N	547.352	5.170	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(Cl)cc1	33651886	ZSGCQLQRISXDFJ-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)c1	38651534	HGVQMGQMIUOETK-VWLOTQADSA-N	519.395	6.065	50	40	KKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)c(C(C)(C)CC)c1	97980829	MSBUITIFEPTCBC-JWHWKPFMSA-N	590.834	7.331	50	40	KKGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1I	98001663	TZHBDYOYTSVGIC-KKMKTNMSSA-N	672.111	5.873	50	40	KKGB	
COc1ccccc1[C@H]1C(C#N)=C(N)N(c2nnc(SCc3ccccc3Cl)s2)C2=C1C(=O)CC(C)(C)C2	98006062	PIPNFIONMRVVKC-QHCPKHFHSA-N	564.136	6.433	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccccc2F)cc1	100138927	ZYKFLTIAQPTTKI-BIZUNTBRSA-N	525.605	5.786	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccccc2F)cc1	100139223	MQAXNIXZZHSMLO-XICOUIIWSA-N	581.669	6.212	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1	100232842	IDFYKIFLOHGCAV-NDENLUEZSA-N	570.281	7.043	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1OCc1ccc(Cl)cc1Cl	100371248	VWHCMISDPQSWDA-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	100560299	TVBKDJJBHJZUGR-MHZLTWQESA-N	623.960	6.818	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1cccc(Br)c1	100853082	XKYKHMDEGZGKPD-WSDLNYQXSA-N	527.922	5.879	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(Cl)cc3Cl)n2-c2ccccc2)cc1OC	100901807	QEDWKIBKSPSVPZ-MUXKCCDJSA-N	542.448	5.501	50	40	KKGB	
CCN(CC)P1(N(CC)CC)=N[P@@](N)(N(CC)CC)=N[P@@](N=P(Cl)(Cl)Cl)(N(CC)CC)=N1	102938146	GJBMUCBPZCAGHW-IOWSJCHKSA-N	590.830	8.827	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)SC1=S)NNC(=O)c1ccc(Br)cc1	150453094	DHHBQQKYSWVCSS-OCEACIFDSA-N	884.720	5.487	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795260	FPXGOPDJPGZONE-WHFBIAKZSA-N	859.993	9.971	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795360	RPQGFPDJYAOIFK-PHIMTYICSA-N	944.155	12.312	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)cc2)S(C)(=O)=O)cc1C	211015589	YZQFSHCJCVDZHR-FMFFXOCNSA-N	535.669	6.340	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)C[C@H](Cl)C(O)(O)C(=O)CCCCCCCCCCCCCCC	306146583	KHSGNNSVSOVARW-XIFFEERXSA-N	587.370	10.766	50	40	KKGB	in-vitro
Cc1ccc(NCC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	408529984	KQMFLLGQAQDZAD-IBBHUPRXSA-N	675.308	6.499	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Br)cc1	408533325	RXOCIMIRBIMYDP-ODLFYWEKSA-N	592.125	8.016	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(Cl)cc1	408542433	LNKKVFMKCZBENV-GIJQJNRQSA-N	588.785	5.776	50	40	KKGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)c1ccc(Br)cc1	408550256	CBMLKQGTWZLJJY-LICLKQGHSA-N	502.195	6.838	50	40	KKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC	408567525	FLZFSUDUGGIJGA-VSRRSJTHSA-N	539.517	5.643	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408608252	OVPANGDJBGPMMO-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1	408609959	MFTXWWGRGSMNAJ-RWPZCVJISA-N	544.833	5.559	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408712051	XKCQGYOVIKFJTD-MBTHVWNTSA-N	576.285	5.891	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccc2c(c1)OCO2	408722604	LZMUDGPNWDALQY-NSKAYECMSA-N	660.633	5.621	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccccc1C#N	408735064	NKTTUBSXZUEPEC-KEBDBYFISA-N	536.813	6.416	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)cc(I)c2O)c(Cl)c1	408742211	VBJQVVBLNMSDPQ-YSURURNPSA-N	528.177	5.475	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1	408743295	FOCBILMOBWYLEW-UNOMPAQXSA-N	572.374	5.962	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)ccc1I	408747271	LKUJYVUCELUJPQ-LUOAPIJWSA-N	725.546	6.663	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408753145	ICYTWDOAXUPTLM-MFOYZWKCSA-N	557.198	6.244	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1Br	408760295	WGCKIDIXZNPHOJ-RVDMUPIBSA-N	516.178	6.521	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408771746	CGHZSKWCWAKNQO-STZFKDTASA-N	615.753	6.700	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	408793166	DICASVKFIIHQKD-UFWORHAWSA-N	585.683	7.170	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408795195	UTPVJOMDHJOTMO-YBFXNURJSA-N	647.263	5.730	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)cc1	408796106	NFFPAMWIMLLNPX-LPYMAVHISA-N	596.421	5.910	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1	408797000	QREHDNVOEFFUAU-WPWMEQJKSA-N	597.509	7.860	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408797537	GMDCSPDJORDVHN-SGWCAAJKSA-N	510.593	7.543	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1	408802003	XSSZMEDABNFZLT-GIJQJNRQSA-N	516.222	7.189	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2ccc(Br)cc2)c1	408802232	YOWYRNMUYKEVDZ-KOEQRZSOSA-N	569.455	7.161	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408802652	ZVYBPRKWLLVXAQ-UDWIEESQSA-N	521.831	8.233	50	40	KKGB	
Cc1c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccccc1F	408814039	PREVTLXYEVPIES-NUJZUDFISA-N	504.359	6.410	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC#N	408819683	REIPIWBAJDJMSR-UCMJSZAQSA-N	553.460	6.610	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)c3ccccc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408826261	BVKOLSWMHXIICH-RDRPBHBLSA-N	501.608	5.051	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408830805	OSRKIWFBSVPCIT-YBFXNURJSA-N	637.301	7.520	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c2ccccc2)cc1	408832598	UYUZBOVBYHOWIZ-DPNNOFEESA-N	672.985	6.044	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408836695	UKWJATNZMDJUMY-YDZHTSKRSA-N	686.817	9.512	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1Br	408838147	RWIZFISTRXXPPH-AJBULDERSA-N	533.514	5.734	50	40	KKGB	
CCOc1cc(OCC)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408838989	LIWYOBAZKBUKKQ-OKCVXOCRSA-N	579.520	7.186	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)cc1	408840092	XNJWTQCSKQTJSA-FABQOPTDSA-N	598.128	7.555	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1O	408840850	CHLJZQUPEUJOST-RPPGKUMJSA-N	524.942	5.193	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccccc1Cl	408842312	KEEQPAULPFRIKG-IZYHBKOJSA-N	631.585	8.911	50	40	KKGB	
COc1c(I)cc(I)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845177	PGRRABAVDVWPJM-KVSWJAHQSA-N	714.754	7.189	50	40	KKGB	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)ccc1Br	408850757	DUSQFVXDMAEMDY-RGVLZGJSSA-N	544.276	7.806	50	40	KKGB	
Cc1c(Br)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Br)cc1	408851501	KTZKXVXFCXCIIQ-UYRXBGFRSA-N	566.297	6.366	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Br)cc1	408854644	APHJFVIGPHPEGE-MUXKCCDJSA-N	527.802	6.590	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408855725	CTGYMORGQVTZIM-AMVVHIIESA-N	564.307	7.405	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1Br	408867567	LOJOTEGNYREWAJ-KLPHOBTLSA-N	647.338	6.411	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1	408869047	RATNNLGYHFRRKI-CVKSISIWSA-N	512.360	5.028	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OC(=O)c1ccccc1	408881687	OCJVCRBJYWTUCE-WOJGMQOQSA-N	663.160	7.446	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408889030	AWSFVRTXXOIFQU-XODNFHPESA-N	566.235	6.146	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408891084	LCUWOJGSIGNDPR-RPPGKUMJSA-N	591.350	6.643	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1Br	408891245	NJLHJMUQPWHVGB-UDWIEESQSA-N	570.281	7.043	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(O)(c1ccccc1)c1ccccc1	408896362	NBNUMUOKELMQRR-FDAWAROLSA-N	505.401	5.959	50	40	KKGB	
CCOc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408964555	VDFQWMNADVMDQC-QLWOKORESA-N	558.462	5.046	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)ccc1OC(C)C	408969420	NIZFEKRWFXHYLN-ZNWXSYLFSA-N	587.342	5.992	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408970954	BLJYODIZLKYXQO-SXMPYHCESA-N	522.045	5.287	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408973134	ZAZNXULONJJZRX-UOBKPQMDSA-N	709.498	8.455	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	408973220	XQFGYIAZTUKUEH-JKYDDCPPSA-N	733.874	7.642	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(SCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1	408989167	HDNGECHPVMUFNF-AMVVHIIESA-N	583.453	6.315	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409000226	FBXQQSOSEVLJQT-QNVXDBMFSA-N	645.326	7.934	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccc(C)cc3)cc2)cc1	409009641	HGVWVTIUBMQLJO-CITWTTNSSA-N	637.692	7.158	50	40	KKGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)c1cc2cc(Br)cc(I)c2o1	409009894	AKASHIKKHMMTMK-RMORIDSASA-N	535.135	5.423	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409014163	PDHQGNUNGZIRNL-DBSPGSINSA-N	610.755	5.776	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1	409017165	LBGYYBVKTIQGAA-DBFSUHOCSA-N	517.796	7.135	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1cc2cc(Cl)ccc2o1	409017441	ZZKJZLFTYCRWGY-FXMZOFOKSA-N	782.541	7.243	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409025448	RIAJKTZJHWFUEP-FABQOPTDSA-N	659.592	6.162	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1	409045487	YTLCGRXSWOCAHC-XSFVSMFZSA-N	564.436	5.810	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409074161	KQRVMXWGZQULBL-RIYZIHGNSA-N	575.779	6.979	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	409125969	AKOCYSHMDCQVQK-MZJWZYIUSA-N	540.856	5.391	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccccc1Cl	409188806	APRUETSQOXDAJO-WQRHYEAKSA-N	550.824	5.888	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)cc2c1	409191085	ZPXHOHJZDPWKGL-MNDYBZJGSA-N	527.404	6.880	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409229838	AGLTVTDRPWSMPW-IWIPYMOSSA-N	563.448	5.781	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409252634	CTACNWVPENGPKG-SRZZPIQSSA-N	643.909	6.832	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409258049	VYVQPEFVYWEQON-BKUYFWCQSA-N	639.446	5.348	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl	409262052	DKIBNKNJFRRWLS-PPDIBHTLSA-N	535.225	5.846	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)c(C)c1	409263902	INIFCEQVSIFOOT-PPDIBHTLSA-N	515.353	5.300	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OC	409311576	AWZJJABOARFUKM-NTFVMDSBSA-N	591.480	5.095	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409319309	DHOIXARYCCRSHV-MBTHVWNTSA-N	662.393	5.636	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCc3ccc4ccccc4c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409322773	KZKAZXIXKKYOMP-PKTZIBPZSA-N	541.456	6.216	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409360802	FWFKDRFBOQTIHT-WKIKZPBSSA-N	605.239	5.163	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccco1	409394579	CKNKQHWAESBKSW-UHFFFAOYSA-N	562.807	6.827	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(OC(C)=O)c(OC)c3)[nH]c12	409395027	IZCNBXQAUSBWSJ-UHFFFAOYSA-N	767.858	8.493	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccccc1	409395526	ORUXROJBXKKGEQ-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409396313	XPYLHLUVWGLYCY-UHFFFAOYSA-N	764.641	9.032	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409397095	GCAFQUDVVYYMIP-UHFFFAOYSA-N	521.504	5.686	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Br)cc4c3-c3ccccc3)cc2OC)c1	409398242	RXBPKTUFELHAEZ-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409399305	ZFZUHKNDWSUTTB-UHFFFAOYSA-N	576.609	6.687	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc(C)c2)c(I)c1	1529548215	ZCUGUEWNUNQRCR-DMFIQNIRSA-N	824.479	5.668	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Cl)cc1	1531386429	SRFCPZOAUSZIOP-IZYHBKOJSA-N	662.968	8.034	50	40	KKGB	
Cc1ccccc1C(O)(C(=O)NN(C(=O)c1ccc(Br)o1)c1ccccc1)c1ccccc1C	1067888	GSRQMISUGQLROJ-UHFFFAOYSA-N	519.395	5.273	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)ccc1OCc1c(Cl)cccc1Cl	1782571	KGRSOMYWAXKENA-GAKHTCNASA-N	521.828	6.460	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc(OC)c1OC	1900704	ATMCYPGNMOUMDD-KCSSXMTESA-N	573.719	5.808	50	40	KKGB	
N#CC1=C(N)Oc2c3c(c4ccccc4c2[C@@H]1c1ccc(Cl)cc1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O3	2118002	BMNPOXMWCQDTMP-DNQXCXABSA-N	537.406	6.583	50	40	KKGB	
O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1cc(Br)ccc1O	2739846	GDACCNROLXSORY-WCMJOSRZSA-N	587.503	5.743	50	40	KKGB	
N#CC1=C(SCc2ccccc2)N[C@@](OC(=O)c2ccccc2)(c2ccccc2)C[C@H]1c1ccccc1Cl	3670799	VGRKCIHVRJNNFH-UCGGBYDDSA-N	537.084	7.795	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3c(ccc(Cl)c3Cl)[C@@H]2[C@@H]1Cl	4131466	WLRMATSNTPBCTC-DEPRQGDXSA-N	523.844	8.079	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1)c1ccc2ccccc2c1	8451463	YXQXDSRMYRLXAT-CWBXHPNXSA-N	599.275	5.306	50	40	KKGB	
CCOc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1	8722632	YBSQNMNKNZAVDY-UXHLAJHPSA-N	504.583	5.265	50	40	KKGB	
Cc1sc2[nH]c(SC[C@@H](Sc3ccc([N+](=O)[O-])cc3)[C@H](Cl)c3ccccc3)nc(=O)c2c1C	16779209	FIWMBNMETYTHJG-UYAOXDASSA-N	518.085	6.743	50	40	KKGB	
CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)OCC)=C(c2ccccc2)N1	20136700	XWXOKZZLNNKSON-QHCPKHFHSA-N	511.043	5.813	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Br)cc1F	59333127	GTYJWORKIUYUTO-QNGOZBTKSA-N	507.407	5.252	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccccc2Cl)cc1	59647349	FJGGFAYYVQPEPX-BIZUNTBRSA-N	542.060	6.300	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	97951281	OWAYWKFTZFSFBT-MUUNZHRXSA-N	544.076	6.460	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	97951853	UXBKHXOCSMYJSO-RUZDIDTESA-N	537.016	6.087	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(C(=O)O)c1	97960745	YIMSOAPBPNDHFF-QRVIBDJDSA-N	588.458	5.872	50	40	KKGB	
O=C(N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	97964208	BXLIYNIQKIURKS-QJVGBRRKSA-N	612.440	6.220	50	40	KKGB	
O=C(NN=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1)c1ccc(Cl)cc1	100261700	UAFMUSYPSBKHIK-UHFFFAOYSA-N	537.062	8.661	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(F)cc1	100956789	MNFWPEIRIBAUPI-DBFSUHOCSA-N	545.792	6.729	50	40	KKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC	100987645	BVOHRSPLEHYJPB-RQZCQDPDSA-N	535.975	6.749	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1	101037783	FZIXBHIXJQHDEN-VULFUBBASA-N	539.484	5.056	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	102436711	ORZAHRVPYHKTRE-HRXXRIAWSA-N	616.916	5.768	50	40	KKGB	
CCN(CC)c1ccc(/C=C2\CCC(/C=N/NC(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)=C2N2CCOCC2)cc1	102970439	LJZYUHILMGEOPH-SWKDJOHCSA-N	615.863	5.756	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1C#N	103890819	IKSXLTCXBAIINI-MTJSOVHGSA-N	567.270	7.481	50	40	KKGB	
CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341182	GZEYASFPHBZJHX-BYPYZUCNSA-N	802.094	10.141	50	40	KKGB	
CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341612	FXGWKBORVHCBQD-CYBMUJFWSA-N	778.316	11.746	50	40	KKGB	
ClCCN(CCCl)c1ccc(CN2CCCN(Cc3ccc(N(CCCl)CCCl)cc3Cl)C2c2cccnc2)c(Cl)c1	150373394	RMERJMYQQBCCAI-UHFFFAOYSA-N	692.390	8.363	50	40	KKGB	
O=C(Nc1cccc2c(OC(=O)C(Cl)Cl)c(/N=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc(/N=N\c3ccc(S(=O)(=O)Nc4nccs4)cc3)c12)C(Cl)Cl	150391141	LVWFQLIOPWPNRR-IXGCDMPMSA-N	913.656	9.637	50	40	KKGB	
CCO[Si](CCCc1c(O)c(C(=O)c2ccccc2)cc(C(=O)c2ccccc2)c1O)(OCC)OCC	196373675	XMUJOZHWDJHRDO-UHFFFAOYSA-N	522.670	5.541	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c2ccc(C)cc2)cc1Br	211029281	WQSQDJOTWZCZES-TWKHWXDSSA-N	586.552	5.799	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc4ccccc34)cc2OC)ccc1OCc1ccccc1	408539971	LDCZRAXHKFVJQZ-QJOVZPHJSA-N	581.068	7.432	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408555870	ZCTSZKAGGXJBFA-OVCLIPMQSA-N	613.217	7.338	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(Br)cc1	408568200	IIFXBJSZKPDRRQ-PXNMLYILSA-N	557.217	6.879	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408579221	DVRPLPNVVPCANG-XDHOZWIPSA-N	624.294	6.593	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408598424	AERFGXYBMATAEB-LSCVHKIXSA-N	537.668	8.451	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1)C(=O)Nc1ccc(F)cc1	408610108	MHXPWXDZEMEILE-LUOAPIJWSA-N	522.733	5.049	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1Cc1cccc2ccccc12	408711610	BJUHQCOALQMHHZ-OCSSWDANSA-N	543.408	6.520	50	40	KKGB	
O=C(Nc1nnc(SSc2nnc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)s1)c1ccc(Cl)c([N+](=O)[O-])c1	408718005	AVOJVYDHBVDEFL-UHFFFAOYSA-N	631.486	5.817	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccc([N+](=O)[O-])cc1	408723348	SDIPQJMALRSXEW-VSPBFFAOSA-N	576.996	5.215	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408727660	REEOGWJTIWNVRK-GOJREDGKSA-N	639.799	6.885	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=C(Cc2ccccc2)Cc2ccccc2)cc1	408728392	LATXKTKCJBNNOV-UHFFFAOYSA-N	546.092	5.877	50	40	KKGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)s1	408732554	WTLDIWJZPCPVSF-RWPZCVJISA-N	548.496	6.026	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1I	408748128	YVFWELAMMKETQT-BRJLIKDPSA-N	537.785	5.133	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408773180	TXWDIWFALMZNFU-HMAPJEAMSA-N	662.355	6.831	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408787516	BDCIUXHUBJPDER-YDZHTSKRSA-N	685.345	8.310	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I	408788034	ABTOVAIMTHRCOH-MKMNVTDBSA-N	603.638	5.503	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(I)cc1	408788605	LOKPCFUZMMPJAL-RQZCQDPDSA-N	672.144	7.884	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408792460	ACASHJFEQRGZDO-MFKUBSTISA-N	613.464	6.860	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792976	MWRWTBFLFOVHEQ-LFVJCYFKSA-N	604.419	7.134	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408793614	FVVBXGVSPOQNMY-KEBDBYFISA-N	529.851	7.787	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1	408794874	KFCZNNBFBLBQMN-YBFXNURJSA-N	513.352	6.434	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798755	WZXVLPWLCLTDQO-SRZZPIQSSA-N	552.255	8.034	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408846159	QWQMNZRVPIANJB-XJECJHNESA-N	617.558	8.520	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c2ccccc2)cc1	408866054	FJHDUPILWOVFCQ-DPNNOFEESA-N	672.985	6.044	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1cccc2ccccc12	408875584	KHHGKXGCXDSCBZ-AFUMVMLFSA-N	557.046	6.711	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccccc1	408878407	ALJURKIPHSHOMG-DPNNOFEESA-N	672.985	6.044	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OCc1ccc(C)cc1	408879714	FACSRFRRSZSLHI-XZYGTATASA-N	565.154	7.620	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	408882182	NWJOXNWOJNZGAA-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OS(=O)(=O)c1ccccc1	408889865	KBWZXUFDBUICCR-GHRIWEEISA-N	517.390	5.705	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c(Br)c1	408890461	UDBYIQZHDHZCNQ-NYYWCZLTSA-N	543.009	5.557	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408898428	LFBTWLPOBVJTRA-WOJGMQOQSA-N	616.446	5.386	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(C)cc1	408898960	YQIYRZMCUSXHLD-PUHLOBNQSA-N	694.517	7.489	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904802	OWXJIEIKBAJBBQ-CPDSRJINSA-N	578.806	7.253	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OC(C)C	408939254	IGSCYRKWCGQLOP-RMORIDSASA-N	510.182	5.518	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1	408940368	CEGRXJNNEAHHCB-MUUNZHRXSA-N	672.001	5.567	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)OCC)cc3)c(OCC)c2)c(OC)c1	408953189	LRKAEIOTDYYPBG-PZLKCPHYSA-N	723.179	5.223	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1c(C)cc(C)cc1C	408971486	GHDXKCKQFVVJKG-GBCOTEAASA-N	628.597	6.955	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)o2)c1	408989561	IESNYIBAQFQZSG-NBVRZTHBSA-N	562.632	6.695	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cccc2ccccc12	408994398	ZLPIZVFKDVCSMA-XYGWBWBKSA-N	571.902	8.417	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409006738	KNDJZMYOPCVVRZ-ULPWCQAASA-N	604.299	5.404	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1	409007147	TWSUTFUBFLAKEZ-PWQQBKHXSA-N	583.438	6.359	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409044175	OGKSIMXKBRNJLS-MWLSYYOVSA-N	579.394	5.212	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OCc1ccc(Cl)cc1Cl	409057061	OREOZWFZDRLUKQ-NSKAYECMSA-N	569.195	5.721	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1)c1ccccc1	409070453	XUFHHYSBHJDISR-VXLYETTFSA-N	513.185	6.553	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409076028	WSGZYROXZTYGQZ-CAOOACKPSA-N	535.305	6.835	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)c1ccc(Cl)cc1	409092194	WKDCDKYACKLOLD-RAWMCFOBSA-N	634.614	6.031	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1ccccc1O	409113575	HMASWAJZDASRNP-DXJNIWACSA-N	547.596	6.340	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1)S(C)(=O)=O	409130381	HOGKQZIDIXMXTB-VTNSRFBWSA-N	583.541	6.439	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccccc2)C2=C1CC(C)(C)CC2=O	409136586	RWALSLULPFUEMF-RUZDIDTESA-N	536.470	5.411	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(Br)cc1	409136731	UVRPRVMZISMNGV-KBKYJPHKSA-N	525.299	6.547	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409162580	XJNULBRKHRMOHG-VFLNYLIXSA-N	617.698	6.922	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	409162984	KHGATTCAQHWEMO-VWJSQJICSA-N	713.356	5.892	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	409170399	VELXLNJWUJMGMS-LQKURTRISA-N	573.285	6.050	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	409184014	DULFSVBQNDJYRJ-FDAWAROLSA-N	568.482	6.161	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(C)cc2C)cc1	409184255	JTRAPMLYOSRSTO-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1	409185271	VIKHTYOZQRDZNQ-FMFFXOCNSA-N	621.115	5.102	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc5ccccc5c4)c(I)c3)cc2c1	409187508	RIOQGDADBYWXMS-LJUMEUDFSA-N	590.417	6.932	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1	409229362	NYFCYOJGCMWMSQ-UGHLTKRUSA-N	501.026	6.831	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2C)cc1	409252376	DJYZEQJOZCPNCC-ODLFYWEKSA-N	613.306	6.400	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)cc1	409263694	NSIIHZNVTMGHBM-KGENOOAVSA-N	548.437	6.028	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)c(C)c1	409265238	RNIXIULLUMLZGH-GIJQJNRQSA-N	562.375	7.192	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccccc1	409266126	OVEALJAFSGCCBN-DLCNMLRHSA-N	705.432	7.860	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409268356	ZERMSKWAEQIMJN-QDTIIGTASA-N	565.251	5.936	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1OC	409317673	REFGSLALVLVVGS-QDTIIGTASA-N	641.154	6.724	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)ccc1OCc1ccccc1	409323016	MKMYGXWBKKERRZ-CAQPMQTCSA-N	531.008	6.279	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)ccc1OCc1ccccc1	409324553	UBRVZPWKBWNEKN-FZPRHHONSA-N	565.504	6.757	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2OC)ccc1OCc1ccccc1	409376548	ZESIDHYHPTYQAC-UCMJSZAQSA-N	553.615	5.454	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409387247	OURJGCBIDFPWRU-KOKCXWAISA-N	714.642	7.813	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409394697	DTJPKJZQQJGWRT-UHFFFAOYSA-N	562.840	7.778	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)[nH]c12	409395009	ITNSZIDYMNKXNF-UHFFFAOYSA-N	691.376	7.669	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397273	IDTRHRKFRQKDQP-UHFFFAOYSA-N	596.481	7.288	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)OC(C)C)o2)cc1	409400420	CZHFSHXVDXLRSH-CNCDYAKUSA-N	609.035	5.922	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1	1529548985	RLBADZBFJOTDNC-RNMNIPMUSA-N	671.603	5.856	50	40	KKGB	
COc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3)=C(C#N)[C@@H]2c2ccccc2)cc1	706329	LYWSVLALMFFETM-MHZLTWQESA-N	510.619	5.402	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	1769454	ANMPDBBDDUDFRO-NBVRZTHBSA-N	543.557	6.314	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1OC	1806695	DJCCTHSVVFRAFK-VULFUBBASA-N	524.693	5.633	50	40	KKGB	
Cc1ccccc1-n1c(NNC(=O)c2ccc(Br)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2	1836076	INZMAOIUDJXPEY-UHFFFAOYSA-N	569.503	6.485	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3c4ccccc4cc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2590960	BFMOJKUETCBQAM-SEBMTOOBSA-N	599.760	7.789	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(Br)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])s1	2744275	WSSDRPHPZQWYDX-WEPAEKJRSA-N	586.497	5.243	50	40	KKGB	
COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)s2)cc1	3056520	VWMKYMJLMXXTAH-IPPBACCNSA-N	570.458	5.378	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1OC	3286717	WKCRJTTZUJSZJQ-LDADJPATSA-N	527.362	5.262	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1	8683386	HFYFOPHUNONTAS-DEOSSOPVSA-N	533.679	5.406	50	40	KKGB	aggregator
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCc1ccccc1	8812130	OKWPOAOLZDXGBO-VULFUBBASA-N	518.326	5.172	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br	9805648	MQXQTJWUZLQUSC-UHFFFAOYSA-N	500.437	5.340	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1	59652696	OBGGQAFEQIGFDQ-FDAWAROLSA-N	552.483	6.461	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Br)[C@@H](Br)c2ccc([C@H](Br)[C@H](Br)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	95100215	KYMFIPAQSHDSRX-MYGLTJDJSA-N	781.990	8.464	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cc(Br)cc(Br)c1O	97959382	QYQAOYDESRTMQL-NSKAYECMSA-N	706.202	5.154	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1	97960751	LBJUPSMIWPSTJL-DEDYPNTBSA-N	634.255	6.583	50	40	KKGB	
O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C/c1cc(Br)ccc1O	97964881	FWQPXBYVFNIPLA-UZWMFBFFSA-N	538.445	6.984	50	40	KKGB	
CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)c3cccc(Cl)c3n2)cc1	97965749	RPRDOUFHCPOOKX-PTZDRTPLSA-N	603.166	8.821	50	40	KKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5Cl)cc4)CC(=O)N3C2)cc1	98048456	DWUWTYMWUYOWAW-MHZLTWQESA-N	544.120	7.481	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(CC)cc3)=C(C)N2)cc1	98048711	BVTLIEXNTFZQKJ-MUUNZHRXSA-N	570.671	5.725	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2ccccc2C#N)c(Br)c1	100195102	YRUSATLJQOTHIK-UKWGHVSLSA-N	508.379	5.908	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	100227697	ZVRXWWQOYUDZSP-ODLFYWEKSA-N	560.775	6.895	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1cccc(Br)c1	100852655	BJOAKKLECKPDNB-MUFRIFMGSA-N	567.534	5.721	50	40	KKGB	
CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1	100990800	BUPJSHNQONTXLZ-CIJMEZBMSA-N	536.245	5.201	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1Cl	101304927	QPLYKTIBUPJIKV-AREMUKBSSA-N	529.061	6.661	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	101563666	WDNRSRABQVVQTR-HHHXNRCGSA-N	564.494	6.805	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	101905953	CHOWGQDHUQUJQN-OCKHKDLRSA-N	546.248	6.567	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C\c1ccccc1OCc1ccc(Br)cc1	102436670	KOKSRURVIQSYML-ZMGVVAQMSA-N	625.980	6.314	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1sc2cccc(Cl)c2c1Cl	102619749	KCQVSVSNHPHAQU-XODNFHPESA-N	536.400	6.733	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cccc(OC)c1OCc1ccc(Br)cc1	102933034	PYHOYEGVPPPICA-PDGQHHTCSA-N	538.354	5.499	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	103528651	NIJHRVBBQSORPA-FQEVSTJZSA-N	526.456	10.029	50	40	KKGB	
Cc1cccc(C(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c3ccc(Br)cc32)c1C	103856964	SBENGTBDQOPWPB-YSTDESMNSA-N	537.502	5.405	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1	103896613	IOKGIOIXPBLOOY-XICOUIIWSA-N	598.124	6.726	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	150385547	ZFEGLFCNXIBECR-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1cccc([N+](=O)[O-])c1)N2	150434812	TZFUGBWNJSFOOR-DJBZMEIGSA-N	660.104	7.547	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	164587433	KHMHHZOZGOBNDW-UVHMKAGCSA-N	660.677	6.291	50	40	KKGB	
CC1(C)CC[C@]2(C(=O)O)CCC3=C([C@H](CCl)C[C@@H]4[C@]3(C)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H](O)[C@]3(C)C(=O)O)[C@H]2C1	245204537	CWHJIJJSDGEHNS-UNMLYAGJSA-N	537.137	5.488	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408528213	HDAKWOWRNWFJAY-UVHMKAGCSA-N	531.248	5.661	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	408534217	VIXFGABBDUOKIJ-MHDJOFBISA-N	535.526	6.250	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	408538809	BZQKMRSAJYFSMW-RCCKNPSSSA-N	501.421	7.559	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408539245	UQHHDYLMMMLITA-DPNNOFEESA-N	642.019	8.701	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)ccc1OCc1ccccc1	408540844	WKIKQQHFEDGNRO-PTZDRTPLSA-N	681.185	8.257	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(I)o2)c(C(=O)OCC)c1C	408546308	GHMSRIJAQLWZHT-IZZDOVSWSA-N	606.232	5.089	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408570812	YWSGOPLQZHWNNL-DPNNOFEESA-N	593.170	7.479	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408579344	GABXTKGCYJYKKT-VXLYETTFSA-N	560.275	7.545	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC	408583887	YGWDOJBSIXNJJG-LZYBPNLTSA-N	603.325	5.990	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCc1ccc(Cl)cc1	408609471	JVWZHWQECPNMAA-KBVAKVRCSA-N	508.018	5.208	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCC(=O)Nc1ccccc1	408677542	RKZKDLQMMIPSBV-UXHLAJHPSA-N	565.468	5.229	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408726325	BEVBXMPLVKMJNL-UHFFFAOYSA-N	593.146	6.537	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccnc3)c2-c2ccccc2)cc1	408740729	LXOHZWRLTOMOSY-PPOKSSTKSA-N	514.585	6.147	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1	408743954	IPDSDPZGJHXZKD-ZDLGFXPLSA-N	699.124	7.091	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1cccc(F)c1	408745310	LJACUYBYCLMMJV-MFOYZWKCSA-N	562.766	6.217	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1Cl	408747250	LCIOJTMDXYXOCS-YVLHZVERSA-N	532.221	6.889	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408758663	OTCIERZWDSKYQI-GDNBJRDFSA-N	684.262	5.284	50	40	KKGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1cccc2ccccc12	408759397	DJBASDSGDODNCI-KOEQRZSOSA-N	504.567	6.306	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1O	408764409	RUGWNZIAOHDDQJ-MZJWZYIUSA-N	552.453	5.389	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1	408790823	ZEHLTMFUWZGTIO-PCLIKHOPSA-N	525.004	7.052	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I	408798093	UTYLJMYUKISQKL-MDWZMJQESA-N	543.586	5.818	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408799083	XXYPIYGSOAWJGQ-LPYMAVHISA-N	596.421	5.910	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3)cc2Br)cc1	408810124	IXQIYKBIIPMTAS-MTJSOVHGSA-N	507.384	5.269	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408814001	GNYORFPLQNOGNH-PXNMLYILSA-N	550.211	7.028	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Br)cc3)o2)cc1	408830014	PCHMCVVASFXOGS-CNCDYAKUSA-N	678.392	6.137	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	408833420	KAVMAGPRDASQHW-BUVRLJJBSA-N	743.823	8.809	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408835496	XFCWVHBSCJCKDK-LGUFXXKBSA-N	607.479	8.445	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4c(C)ccc5ccccc45)c(Br)c3)cc2)cc1	408836016	PFMKIWWPCPRVKA-VUTHCHCSSA-N	617.543	8.923	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc(OC)c1OC	408839527	UDMVYRBJJWIFJI-YSYOEVFLSA-N	737.028	7.887	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1C	408851946	CBDVDNZALNGVGO-YBEGLDIGSA-N	511.365	5.004	50	40	KKGB	
N#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408852208	DIYUDOONGXHJBD-AQHIEDMUSA-N	556.008	5.387	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408856842	LNYAMTHXUAWBBI-FXMZOFOKSA-N	641.541	7.717	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1	408864609	YHLWMTSZRVPXSN-OKCVXOCRSA-N	541.954	5.542	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1cccc2ccccc12	408868849	QFAWXIBZWOUXOT-AFUMVMLFSA-N	601.497	6.821	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Br)c(C)c1	408876351	ORKGKGSLVSVUIA-FYJGNVAPSA-N	524.256	6.965	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(I)cc1	408880546	KJZFRIPBNBFKBM-GZTJUZNOSA-N	549.195	6.723	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(C(C)C)cc2)cc1	408884742	ZITGKTIRCVNTEI-HNSNBQBZSA-N	621.601	6.634	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1	408887070	NQEDTEIEEOYOJE-QGOAFFKASA-N	531.417	6.014	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408900619	WWFINKMZMOCBGV-LICLKQGHSA-N	519.292	6.732	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(=O)c1ccc(C)cc1	408900911	YZZXQBNNEMYIJO-WOJGMQOQSA-N	536.338	5.439	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1cccc(C)c1	408922587	FHDHWUSVPXBOMG-OCSSWDANSA-N	517.423	6.652	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2Br)cc1	408923817	KKIMWPZEYBKUOI-RVDMUPIBSA-N	582.259	6.078	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(Sc3ccccc3)o2)cc1	408936201	FTRRXFKZDBUQJH-DXJNIWACSA-N	556.485	7.723	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408938313	HOSHBGRJAQMBDA-GLJXUZQSSA-N	625.100	7.425	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408950904	SPXYBPZBVPHHAS-MUUNZHRXSA-N	783.472	6.071	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408955390	YBIACQUIYDVHGD-DBFSUHOCSA-N	615.278	6.056	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(F)cc1	408984435	QZEWVLGLPRKITA-GRSHGNNSSA-N	590.820	6.916	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	408988549	IINXNNXYMBJSCI-WQRHYEAKSA-N	526.774	6.444	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5)cc4s3)c([N+](=O)[O-])c2)c1	408991290	NHSNIVUSNMFVBZ-HZHRSRAPSA-N	605.701	7.771	50	40	KKGB	
O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(c1ccccc1)c1ccccc1)OCc1ccccc1	408999991	DKHKPGXQZASUJJ-MHZLTWQESA-N	510.550	5.302	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1ccc(Cl)cc1	409013738	NWGQZYFRJRUUJW-KYMQWJLESA-N	765.567	7.409	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1cccc(C)c1	409039212	BXQWICYLDRUMTK-WOJGMQOQSA-N	601.828	5.825	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@H]23)c1	409042958	LXAGOJIVXUUDSP-ARJUDPSDSA-N	607.022	5.223	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccccc1F	409050869	BRAYZBGTRQXFRZ-KKMKTNMSSA-N	505.771	5.902	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1	409087415	UCAZNTOQZGMYIY-LFIBNONCSA-N	553.325	6.002	50	40	KKGB	
Cc1[nH]nc2c1[C@H](c1cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c1)C(C#N)=C(N)O2	409141772	KAUCVDGRIQGZBQ-GOSISDBHSA-N	550.638	5.694	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccc(Br)cc2)cc1	409161313	NBZSROSZAWSUQM-STBIYBPSSA-N	550.478	5.252	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccc([N+](=O)[O-])c5)(c5ccccc54)[C@H]3C2=O)cc1Cl	409184560	ZBMVKVUCGJORAU-FXDIDQDQSA-N	591.023	5.523	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc2ccccc2c1	409213333	SKQORFJTYPTWKL-QRVIBDJDSA-N	515.363	7.162	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409221861	BDXOTVRYNHHDFO-BVMLUPFRSA-N	586.944	5.212	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(=O)/C=C/c1ccccc1	409225849	RFVXWGRKNJAXPC-AHDXYSTMSA-N	563.566	5.059	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1	409227236	UOUXSWXBVCZBMM-ZRGSRPPYSA-N	522.182	5.748	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(I)cc1	409246731	ASOQESWSYJFABX-IQJJTXKVSA-N	552.412	6.053	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccccc4OCC(=O)Nc4cccc(C)c4C)cc3)cs2)cc1	409251036	NZADRNOZFUMLLU-KMUKQRDJSA-N	589.721	7.260	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1	409254145	CVEXAEPWBFLTQQ-NDENLUEZSA-N	519.985	5.537	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1	409325693	ZRMOFENNQOEIIE-MJXLXAJKSA-N	599.949	7.411	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1OC	409333228	JDNBTFXUIYAZGL-MNBJERMJSA-N	502.998	6.634	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc2c(c1)OCO2	409363047	KUGNAERWOVJOKW-IDUWFGFVSA-N	686.081	7.030	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl)Nc1ccc(F)cc1	409364616	QLFBQFFESRGGQF-DLCNMLRHSA-N	600.075	7.128	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCc1ccccc1	409366865	ZQPOTFYPAQSZKM-DICXZTSXSA-N	528.390	5.188	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3cccc(C(F)(F)F)c3)[C@H](OC(=O)c3cccc(C(F)(F)F)c3)C(=O)O)cc2)c1	409370284	ODFLTXNRFNFLDD-SVBPBHIXSA-N	745.585	5.582	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Br)c1OCc1ccccc1Cl	409379961	DCEWPRAWIAKMGP-CCVNUDIWSA-N	522.871	5.453	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(C)=O	409394408	ABTBOBXPAGIDEX-UHFFFAOYSA-N	705.359	7.277	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)c(-c3ccccc3Cl)c2c1	409395710	QWDVZCCIPBVKOW-UHFFFAOYSA-N	650.360	7.953	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409398883	WDMWNAGGWMYMHN-UHFFFAOYSA-N	612.082	7.196	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409399721	KYNAAZKBTPHXPA-LJUMEUDFSA-N	578.463	6.366	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c([N+](=O)[O-])c3)o2)cc1	409401824	IFUOBKXHSWGABA-DLCNMLRHSA-N	688.491	7.188	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409406975	YIIOJOPFXVZUNQ-BIKKEBSBSA-N	648.716	7.644	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cccc3ccccc23)c1C	1529548289	ZTNGLSLHHAXSHI-KDVQARRSSA-N	595.725	5.132	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c21	987207	HXNCBEHQLOAPEM-SFHVURJKSA-N	507.779	5.205	50	40	KKGB	
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2cc(OC)c(OC)cc2Br)cc1	1082047	HVOWACBDIFODHS-LMKMVOKYSA-N	509.400	5.360	50	40	KKGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1c2ccccc2cc2ccccc12	3113003	LZFMEJZMHOXFMQ-UVHMKAGCSA-N	542.227	6.056	50	40	KKGB	
CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1	6279994	DWMHZQWGAJWMFB-MIXAMLLLSA-N	534.041	5.454	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1F	8744386	XWAIAAVUIKMLID-DEOSSOPVSA-N	512.566	5.177	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc(C(C)=O)c1C	9190827	PGMPPCJHJNXEBI-LCYFTJDESA-N	506.436	6.843	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccco1	12250081	HNNONQNZVCBCMN-QFIPXVFZSA-N	519.652	5.314	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1C1N(Cc2ccc(N(C)C)cc2)CCN1Cc1ccc(N(C)C)cc1	19321943	AGSPOHBTYDZHOC-UHFFFAOYSA-N	568.637	6.428	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(Oc4ccccc4)c3)n2-c2ccccc2)cc1	31870539	MMKYANMUGQKZDO-GTWSWNCMSA-N	519.630	6.277	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1cc(Br)ccc1O)/N=N/c1ccc(C)cc1	73389523	WBDRSZNAFFEVLA-QEEVISEHSA-N	588.466	5.981	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	97980924	NSAGJQSOJQZYMN-DYMCNDHQSA-N	589.058	6.699	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(Br)c2)N1	97999669	NLQPFNNZEFYSCS-SANMLTNESA-N	593.934	6.809	50	40	KKGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5Cl)cc4)CC(=O)N3C2)c(OC)c1	98048441	ZIEGHHHULVXFFB-HSZRJFAPSA-N	548.064	6.156	50	40	KKGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	100236420	OEOGZGSCACMSKN-KSWAXPHNSA-N	590.312	6.153	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	100477432	IGVXKFBAUKBVKP-IBBHUPRXSA-N	606.966	5.873	50	40	KKGB	
O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	100500205	RCUPCVRTXKCARK-UHFFFAOYSA-N	560.528	6.198	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cc([N+](=O)[O-])ccc1O	100956045	ILFOBGDXRYNQTL-VYYCAZPPSA-N	520.339	5.559	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1	100989450	ZDSPKCAVXZRTKC-JSIHEXFSSA-N	522.399	5.653	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C1/C(=O)N(CCc2cccc3ccccc23)c2ccccc21	101657201	ZQMPTZVZDXLBML-TVKQRKNISA-N	512.407	5.255	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	102527563	JAYWBCJGFPFNBH-VVQHOALRSA-N	532.553	5.855	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1	103883606	YURFRQWZKWLWAY-KQWNVCNZSA-N	532.438	5.292	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342189	GXARDJUNVVDWKK-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(I)cc1OCc1ccc(Cl)cc1Cl)c1cccnc1	150355773	IDYOHYXBWLSXRN-NSKAYECMSA-N	652.057	5.941	50	40	KKGB	
ClCCN(CCCl)c1ccc(CN2CCCN(Cc3ccc(N(CCCl)CCCl)cc3Cl)C2c2ccccc2)c(Cl)c1	150373397	JJDYWAOKCBUFNQ-UHFFFAOYSA-N	691.402	8.968	50	40	KKGB	
O=C(O)[C@H]1C[C@H]2[C@]3(Cl)C(Cl)=C(Cl)[C@H](Cl)[C@]2(C[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl	150384419	VVRWPUJXBANEPU-KDIGIYNSSA-N	641.114	6.671	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)ccc1OCc1ccccc1	150413036	DILDKTUYHRFIOF-HNSNBQBZSA-N	628.552	6.527	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164700773	YZLNKALSNXUQMR-BKUYFWCQSA-N	693.298	5.870	50	40	KKGB	
O=P(Cc1cc(S(=O)(=O)O)ccc1OCCOCCOc1ccc(S(=O)(=O)O)cc1CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	196387359	FTFBEJVXVOQSTD-UHFFFAOYSA-N	846.853	6.683	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	253531096	JWEOPRVXJUYGSP-IWDRAFCCSA-N	549.678	9.359	50	40	KKGB	biogenic
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)ccc1OCc1ccccc1	408538501	NXDBTSXLWPLSJB-WGOQTCKBSA-N	569.057	7.451	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc(Br)cc1	408543090	OSMINEXLAUXOFC-GRSHGNNSSA-N	647.263	6.275	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OC)c1OCc1ccc(C)cc1	408570216	SUSBWDGQZGAVHM-FDAWAROLSA-N	548.730	6.319	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1C	408604949	JGDZUJOIDKJTKX-SFHVURJKSA-N	532.855	6.339	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1	408611218	QGTTUSFHPWYBTK-IPPBACCNSA-N	518.372	5.589	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408647854	VTVBJKPTJRRMMS-RNEPCJONSA-N	661.174	5.553	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(I)cc1	408711604	BGBGARLYKQVPIG-BRJLIKDPSA-N	708.075	5.843	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)c1)CCCC3	408730045	DREBWFUSZFJDIG-NVJOKUIPSA-N	616.335	5.629	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)Nc1ccc(Br)cc1	408746052	WXGFGRVBPOSCOS-YHYXMXQVSA-N	500.972	5.225	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408756097	XMSMUOLLEZEGBG-WJDWOHSUSA-N	592.220	6.161	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408787446	AFVGDQKGVSOYJM-UDWIEESQSA-N	506.942	5.570	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408788455	KCWNSZYSYCKYCY-REZTVBANSA-N	517.199	7.297	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	408789169	KIGUGRSSIWLHNC-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408790556	QBEYGWLNRQCRIB-VCHYOVAHSA-N	585.354	5.428	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(I)cc1	408792071	HIPMXZUENOTDPB-RQZCQDPDSA-N	681.224	5.937	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795402	MFWPKGSDCXQMBQ-VIZOYTHASA-N	662.536	8.139	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccc(O)cc1	408795846	MUDNDWRPDJYSID-VIZOYTHASA-N	597.090	7.349	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccc(F)cc1	408796856	QCMRPTLZFCDEJG-UDWIEESQSA-N	600.384	5.740	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408822247	LHQPQOVRLRQDKQ-WSDLNYQXSA-N	672.790	9.122	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1cccc(Cl)c1	408822917	MWAOITRAXOZAAM-WGOQTCKBSA-N	539.031	7.361	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1cccc(C)c1	408833497	SPSPQIUOWUVFKP-YZSQISJMSA-N	539.031	7.361	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2ccccc2o1	408842766	BDVCQZNZHRAEET-MXAYSNPKSA-N	541.301	5.289	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408856802	LNDCFFKWKPSAQG-XFDYYPNTSA-N	673.438	9.593	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12	408864946	BDPGHKKEFHUJKH-CJLVFECKSA-N	501.413	7.834	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccncc1	408875401	FHZUXYTWISSPSR-GATIEOLUSA-N	662.063	5.396	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1Cc1ccccc1Br	408876912	OTESCRXOJZNUJH-YBFXNURJSA-N	635.727	7.551	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2cc(Cl)ccc2C)cc1	408877114	PXOMLNULVVLEOX-QLQYKETESA-N	612.151	7.035	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	408878548	BURWCGDCBHXEKQ-QGOAFFKASA-N	566.238	7.674	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	408894504	IKDYHQQLAAQCPE-SFQUDFHCSA-N	511.759	5.876	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(Cl)cc1	408903934	BKPQOSXIJNAJQW-KKMKTNMSSA-N	605.772	5.951	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1OCc1ccc(F)cc1	408923095	JDWRWQHZPBDCGP-MZJWZYIUSA-N	501.352	5.338	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408942069	FKRGVJDINGVPMM-YTTGMZPUSA-N	653.717	5.212	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCc1ccc(Cl)cc1Cl	408943299	HMKDJPKXIPITCA-MUUNZHRXSA-N	783.472	6.071	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(C(C)C)cc2)c1C	408945849	LSRHSFUOJKKJIV-PMERELPUSA-N	587.746	5.103	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2cccc(Cl)c2)c(OC)c1	408957295	TZPWYWKYZYRMOR-VVYBVRPNSA-N	858.855	5.857	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408968349	VUJUGGOJWNVNGJ-XAZZYMPDSA-N	578.385	5.956	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCc1ccc(Br)cc1	408970847	LEMJCNVMNIKXMC-IPPBACCNSA-N	602.279	6.708	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1Cl	408971313	IINXSEITKNTTJR-SKLCVJKWSA-N	644.994	6.449	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(I)cc1	408983059	JYMHUTIBKXTCAG-HMAPJEAMSA-N	568.842	7.106	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408989272	TXVIGXQPOCPBQX-MTJSOVHGSA-N	610.733	8.451	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)cc1Cl	408991749	PENOZVGSQZXXRK-OVCLIPMQSA-N	551.993	6.771	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OCc1ccc(Br)cc1	409043049	PJJHMLGUBZNMLJ-RPPGKUMJSA-N	640.228	5.409	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1)c1ccncc1	409110658	XNUXIQRWUZCUND-NUJZUDFISA-N	524.484	5.381	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)COC2	409122916	CUXWOIBYQGSFJJ-UHFFFAOYSA-N	613.089	6.532	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(F)cc1	409151025	FZYSFCUJVUWIMG-KBVAKVRCSA-N	526.008	6.024	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)Nc1ccc(Br)cc1	409184398	KYIULFBHXLSTRT-ROTLSHHCSA-N	582.090	6.709	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)c(I)c3)cc2c1	409186315	AGGIPJMUJBVANK-MUXKCCDJSA-N	574.802	6.432	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccc(C)cc1	409224972	OOAAKIKYZITETI-UHFFFAOYSA-N	541.991	5.892	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12	409238068	BWFYKAKARJPFEF-SZJFIWSWSA-N	555.472	7.364	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409245563	VVYGLCOXJKBYRS-FPJJECCMSA-N	550.409	6.119	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409258098	TWHDRIOTHWJREQ-VXLYETTFSA-N	602.407	6.657	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1OCC	409309600	JOYKQZXXRRHIRF-UHBFCERESA-N	606.432	5.969	50	40	KKGB	
C=CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OCCC)c(OC)c1	409311439	ZTBYRZBLYYEYIT-CFRMEGHHSA-N	526.225	5.338	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1OCC	409312101	JXYZNTZINAMDAW-MWLSYYOVSA-N	545.861	6.633	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3CC)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409312286	FLOVVAZHNVXQEY-DHIUTWEWSA-N	620.953	5.482	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409313960	PZBRMNPYTAUSCP-APTWKGOFSA-N	545.035	6.669	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409360057	ONSJNBOMPAHFTR-XAZZYMPDSA-N	585.271	6.645	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	409363709	MRDHMNIPDSZKRG-DICXZTSXSA-N	530.260	6.046	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)ccc1OC(C)=O	409394546	BZAZBORSCOABLM-UHFFFAOYSA-N	660.908	7.168	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397294	IJQCCHXYRUUUNS-UHFFFAOYSA-N	547.567	5.945	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397742	NMHYILWDUVZYRM-UHFFFAOYSA-N	707.908	7.203	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409398936	WRPRNEUUHIGTMY-UHFFFAOYSA-N	533.540	5.555	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(O[C@H](C)C(=O)O)c(Br)c3)o2)cc1	409400231	CDOMZRKMXRHVNV-DLIVZJNESA-N	580.435	5.644	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409402579	WZLHWDWNZNEBMC-ADJDCTSUSA-N	697.413	8.687	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cn1	409403763	NULGNKZJQWOXNO-CLHYIUPASA-N	635.677	7.253	50	40	KKGB	
C=CCOc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	409405956	VMBQHZLUKFVNQK-UHFFFAOYSA-N	534.012	6.257	50	40	KKGB	
CC[C@@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1[N+](=O)[O-]	409406596	XFUIVUPOVBAQFP-IZKGUHRSSA-N	565.026	6.769	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cccc2[N+](=O)[O-])c1	409410670	ZONICHYBSDHSGY-FZKWRIDDSA-N	592.608	6.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	1529545675	AKHZJXVRSJFNDV-LVVFFRFESA-N	637.158	5.203	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccccc1F	1529548716	MPFTXGWSHFCJBJ-LLUBMPASSA-N	660.768	5.417	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2OC)nnc1-c1ccc(C(C)(C)C)cc1	2697699	OBISPYDEQPDQNI-VULFUBBASA-N	530.492	5.276	50	40	KKGB	
COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccc(OC)c(COc4ccccc4C(N)=O)c3)c3ccccc3n2)c1	2761296	FBGFHWLTYSIXES-ODNPBWNPSA-N	590.636	5.369	50	40	KKGB	
CC(C)(C)S(=O)(=O)c1ccc2ccccc2c1SSc1c(S(=O)(=O)C(C)(C)C)ccc2ccccc12	6075237	RFGAZUHDCDMNAT-UHFFFAOYSA-N	558.812	7.937	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136371	QWYTWCUOTIWUPQ-PNBSKESLSA-N	590.883	7.313	50	40	KKGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5)c(OC)c4)CC(=O)N3C2)cc1	9693537	AWGLNGKIQLXXSD-XMMPIXPASA-N	513.619	5.502	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1cccs1	13941015	OYPXMEHLJRTLND-BUVRLJJBSA-N	512.458	5.391	50	40	KKGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\NC(=O)Nc1ccc(Br)c2ccccc12	16693796	AMDXBSNWEXVGHV-STZFKDTASA-N	515.367	5.017	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2ccc(C)cc2)cc1	59646594	ASAAFRWZXHUSIM-UXHLAJHPSA-N	529.687	5.314	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccccc3)o2)cc1	59883775	HMVOUHNAHLPZSO-ZCTHSVRISA-N	559.644	5.086	50	40	KKGB	
C/C(=N/NC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccc(Cl)c(Cl)c1	97966326	XSJSGHLIOVUTCK-FOLUOZAVSA-N	652.366	7.111	50	40	KKGB	
O=c1c2c3c(sc2nc(SSc2nc4sc5c(c4c(=O)n2-c2ccccc2)CCCC5)n1-c1ccccc1)CCCC3	97999782	LWLNPUIWQKLXFQ-UHFFFAOYSA-N	626.854	7.765	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126035	QWMYYUMWYQICTA-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1Cl	100336178	YFCBXTCNWUOYKB-JAIQZWGSSA-N	525.830	6.853	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1cccc(Br)c1	100852556	JZPYODJOBLGGRB-OCSSWDANSA-N	581.561	6.029	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1C	100988762	NZWXAQUAJLXSGM-FZBRZNRVSA-N	522.457	6.675	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(OC)c3)=C(C#N)[C@@H]2c2ccco2)cc1	102808175	KGJGYSDMXXYVNG-HHHXNRCGSA-N	544.633	5.393	50	40	KKGB	
CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528271	CMOHQCMNURTYAP-LLVKDONJSA-N	600.241	9.060	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882928	VCZVTPYVQFDTRT-STZFKDTASA-N	571.302	6.591	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)cc1Cl	103890014	JEXXBDZGRHURLM-CHHVJCJISA-N	601.111	8.196	50	40	KKGB	
CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341525	KDNAFMKMUXWOIX-LBPRGKRZSA-N	714.282	10.720	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164738174	BKBDCGNVDFBCOZ-NVNXTCNLSA-N	709.536	7.981	50	40	KKGB	
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2CI	253505427	VJCWEUYDXCVIJK-RJFXTKSVSA-N	500.505	6.992	50	40	KKGB	biogenic,in-vitro
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408541508	GNIJAXHYOYEHEC-IDUWFGFVSA-N	576.230	6.587	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554120	ZQHVVDJIYWSVPW-LZYBPNLTSA-N	624.218	6.596	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	408581026	SQQWTOTYHOXMPB-XDHOZWIPSA-N	511.803	6.583	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(Cl)c1OCc1ccccc1Cl	408612359	YGNFZQQKPWBFIF-SFHVURJKSA-N	514.409	5.386	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408643063	OPAJKUCAFXKIRC-NFYRHNLVSA-N	732.590	6.418	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(OC)c1	408724785	CARFHLYXGUVKOM-YBFXNURJSA-N	513.331	5.502	50	40	KKGB	
COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	408731720	MRUITWYNUPLLRV-DHRITJCHSA-N	535.769	5.688	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2-c2ccccc2)cc1	408742252	VOVURRKXLIMPQH-QLQYKETESA-N	582.487	8.059	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Br)cc1	408745874	ANOAAUUOTFCAKN-CAQPMQTCSA-N	563.879	6.376	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)ccc1I	408747097	JICMPWCOADINON-XODNFHPESA-N	575.790	5.176	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408747121	ZSYLGBPLOAOTAS-PXNMLYILSA-N	547.192	6.789	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NCc1ccccc1	408748134	YXTMRGCSZSWDTR-GRSHGNNSSA-N	516.222	6.558	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408761985	INUSOAMNNGUKCE-PXNMLYILSA-N	636.094	7.007	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1	408763049	DJIRVGBVWMIRJI-XQNSMLJCSA-N	551.559	5.912	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(F)cc2)cc1	408777411	YLZYAVUMHYSCTO-UHFFFAOYSA-N	501.668	6.106	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(F)cc1	408789671	QWAPOTVMXRFNRI-RQZCQDPDSA-N	564.238	7.418	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408791097	TYOQZTXNFGSKGT-STZFKDTASA-N	552.444	6.568	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1F	408792566	LAQVRHOHGVNJBL-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)c1C	408795143	KHFOUTVXQSRQLC-UDWIEESQSA-N	634.255	6.637	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408822826	CCOOYAHMILTIHF-OEAKJJBVSA-N	693.348	7.832	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)ccc3C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408830203	OPEMMBQDSJPEBW-ZMGVVAQMSA-N	613.523	5.683	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)cc1	408837429	FFEUMADRIJCUGO-DZTJYMNTSA-N	632.742	6.497	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2I)cc1	408841828	HVBZQHBEARNULX-PTEHHBOZSA-N	834.861	8.457	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408843206	FAJOSDBIFUBLSS-ORBVJSQLSA-N	601.122	7.184	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408847687	UDZIIEUVJVUGQO-NSKAYECMSA-N	586.067	6.240	50	40	KKGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)c1	408850241	JCSUBYBPLLERFY-GATIEOLUSA-N	501.720	5.659	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1cccc(Br)c1	408853264	QMECMMKXMCGINC-YVNNLAQVSA-N	529.641	6.765	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408854596	ABKQUXMEPMMABI-GMEAVFFOSA-N	570.649	7.432	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408859892	VACCIUJNWGUMCN-JOXMEQDKSA-N	687.140	5.751	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2cccc3ccccc23)c1	408873555	RTWUKUYPGGNPNJ-HYARGMPZSA-N	502.492	6.992	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cccc(Br)c2)cc1	408876431	PAQJTHXVANMZLW-KPGMTVGESA-N	648.410	6.817	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408883302	SNRSMSJUXCSBGW-MHWRWJLKSA-N	526.730	5.776	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(=O)c3ccccc3)c(Cl)c2)cc1	408885573	CDIUMVRXJCNJGT-XDHOZWIPSA-N	509.345	5.935	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccccc1	408892367	ARRUYYRZYBGMDY-LFIBNONCSA-N	562.239	5.525	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408896570	OKANKPUAUYQDGL-BRJLIKDPSA-N	608.199	5.983	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OCc1ccc(I)cc1	408905234	VNWSTJOSSJPSNK-FDVSRXAVSA-N	634.312	6.834	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)c(OC)c1	408925486	UCFXUMPAHTYAKD-CJPARAFHSA-N	730.012	5.809	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1cccc(Br)c1	408925512	RTFJDIRHYOMUGA-FDAWAROLSA-N	509.403	7.098	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c(OC)c1	408958447	YXAJWFFQMCGYBO-PDQWDMBESA-N	748.400	5.658	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OCc1ccc(F)cc1	408979858	DDGOICLWMHBGAK-YBFXNURJSA-N	544.384	5.880	50	40	KKGB	
O=C(C[C@@H](NC(=O)OCc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1)OCc1ccccc1	408998717	BWSWDALUFSYIRX-MUUNZHRXSA-N	523.589	5.284	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCC(=O)OC	409011759	HMLYJWVITZYSBV-YCPBAFNGSA-N	680.087	5.277	50	40	KKGB	
CCCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	409014668	NQIFWDOYZXEJNR-RKRZQOSRSA-N	508.446	5.231	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	409015375	RUECIQCEIAUIMU-ALXLYEBLSA-N	658.110	7.123	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1	409034172	MQPBFXUFPOAJFD-SFQUDFHCSA-N	588.447	5.868	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc(Cl)cc1	409043217	YGLWVVJLWUYAPO-ALQBTCKLSA-N	583.113	7.949	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409066687	PGEDQMFZZNSCRP-MHWRWJLKSA-N	564.211	5.952	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409074390	QQZZRNLSNBKXPX-FYJGNVAPSA-N	525.407	7.384	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409203858	YJWVOAMJAFWCFH-AMVVHIIESA-N	712.778	7.524	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409215312	XFSHQZYCPNHYAX-XODNFHPESA-N	576.900	5.679	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)cc1	409219691	TYELFBLTDHYNJV-LDADJPATSA-N	508.347	5.460	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Br)cc1	409223585	IRPVVKIKQZDNKB-ROTLSHHCSA-N	532.734	5.002	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1	409251345	PILIPUWJLZVMJK-OJSPLJLUSA-N	506.356	5.721	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409254593	IZEYRRVATPSQRI-YDZHTSKRSA-N	518.013	5.596	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)CC2=O)cc1	409259331	YKVYHIVCDUGDBH-DJLXCBRGSA-N	570.473	5.873	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409272054	OCERGDZFZZLHFL-KULFSUQXSA-N	660.583	7.959	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)ccc1OCc1ccccc1	409321826	VCNCNSRKJOSLLO-GXBUFBABSA-N	667.578	6.666	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1OC	409325475	YYCOGBKBGDEGEK-NUJZUDFISA-N	608.714	6.781	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	409371999	DDIXXAOACYFCQA-FDAWAROLSA-N	525.561	5.837	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1	409373560	QLNULTZGZSKCLX-FJEPWZHXSA-N	553.840	6.616	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(Cl)cc1Cl	409373732	TZMTWZPUCHAEBP-WCMJOSRZSA-N	523.416	6.897	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(Br)cc1	409383795	HQMBWFGIUMBWGB-WQRHYEAKSA-N	600.254	6.972	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1	409395369	MSZGMLHPUCWONX-UHFFFAOYSA-N	699.758	8.144	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396346	MWQMMNXGUCMWNG-UHFFFAOYSA-N	598.055	6.887	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)[nH]c12	409396417	YEXWTZKFDUMRPT-UHFFFAOYSA-N	612.082	7.060	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409396451	YLIYEGASXUNREY-UHFFFAOYSA-N	617.843	7.142	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397462	KCYUAFVMIVLHDL-UHFFFAOYSA-N	641.338	8.830	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Br)cc1	1529545723	BAPCVQFYLXOBPN-BTEHTESLSA-N	707.647	5.650	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	1529546890	ICZWFCAUIIBAMS-MKEMXLLOSA-N	706.446	6.220	50	40	KKGB	
CC[C@@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	1531386423	NMFUDYRYLVPBPR-NMQPEJGJSA-N	594.506	6.978	50	40	KKGB	
CC(C)[Si](Oc1ccc(Oc2ccc(CCCNC(=O)OC(C)(C)C)cc2I)cc1)(C(C)C)C(C)C	1570007608	FNELBWQXHSGXOI-UHFFFAOYSA-N	625.664	9.095	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1ccc(Br)cc1	1065104	RJWNQRHPYLJNFF-OAQYLSRUSA-N	511.351	5.437	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1	1788938	AZDNCFHJDYAYSL-STBIYBPSSA-N	544.637	5.391	50	40	KKGB	
O=C(NNC(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)c1cc2cc(Br)ccc2oc1=O	2092471	IXHJBRDEJUKCTD-UHFFFAOYSA-N	578.202	5.107	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccc(OCc2ccccc2)cc1	2326930	GGNGYDYFKKIHRU-CVKSISIWSA-N	506.678	5.652	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1	2672342	DBKAFQBFGAKRAK-FTGODIDHSA-N	559.069	7.556	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2N(NC(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1	3311687	BXMYMZSSRYENQT-UHFFFAOYSA-N	581.658	5.539	50	40	KKGB	
O=C(c1ccccc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1	3672543	AHJYFVMYXVGLSM-UHFFFAOYSA-N	512.609	5.886	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1	8386331	KUQJHNZBPUCOJM-RLEUAXHZSA-N	546.115	5.954	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2Br)cc1	8780809	WEGCYEWGWFMIHZ-BHGWPJFGSA-N	504.226	5.344	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)c1	19948356	KTNZPYABUJZSFA-UZWMFBFFSA-N	521.642	5.955	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Br)cc1	59201276	NQXYDUNYYYZUFP-HMAPJEAMSA-N	505.412	6.589	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3C[C@@H](Br)[C@]2(Br)C1	85907023	ZKUCDSCKSARUCE-OPWABDOXSA-N	826.968	15.850	50	40	KKGB	biogenic
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)N1	96933938	ASSTXBROCNQCIK-JGCGQSQUSA-N	607.135	7.839	50	40	KKGB	
Cc1ccc2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n13)C(=O)N2C	97968861	MZOKUXXMMVATLB-MJPNWULPSA-N	538.611	5.423	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	98045730	MGNZXAKELJRLBT-DEOSSOPVSA-N	545.621	5.735	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl	100118934	QCNXEHXCOYZWIL-JIDBWQTOSA-N	577.537	6.939	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	100240147	KZPCUACGODUPDK-BIZUNTBRSA-N	611.189	6.214	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1	100845353	NLDGPVGMFYDRPS-NLTRVXJZSA-N	532.021	5.582	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc(Cl)cc1Cl	100853079	IRRPPBLOFOXDHU-FOKLQQMPSA-N	517.916	6.423	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)cc1	100853363	CARXRYIIDWXSAC-STBIYBPSSA-N	524.021	5.758	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1	100958673	MYVPLMHRHXHISM-FADJLKOXSA-N	629.735	5.575	50	40	KKGB	
N#CC1=C(N)Oc2cc3cc4c(cc3cc2[C@@H]1c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O4	101668931	KCGLYFBVBICPCX-HNRBIFIRSA-N	537.406	6.583	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)c(OC)c3)C3=C(O)CC(C)(C)CC3=N2)cc1	102607407	BMICEFYXVCGOAS-HHHXNRCGSA-N	547.677	6.380	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2OC)=C(C)N1	102807692	IEVXMXHVHZLABH-HHHXNRCGSA-N	528.634	5.557	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)=C(C#N)[C@@H]2c1ccc(Cl)cc1	102808635	MVZMLWBBQWSUBQ-LJAQVGFWSA-N	616.570	7.661	50	40	KKGB	
N#CN1C[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](CCI)C1	103612711	MGNDUMCWTJYJSU-JGVFFNPUSA-N	582.142	5.969	50	40	KKGB	in-vitro
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc([N+](=O)[O-])cc1)=N/NC(=O)c1ccccc1	104315761	GQHXMIUCYRPUHP-FOQCXOFVSA-N	508.542	5.412	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(Br)cc1	104401974	SYXUPKPNFZDGMM-VULFUBBASA-N	532.232	5.953	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	104402990	WGSPGDGRFNGGDL-JFLMPSFJSA-N	542.386	5.498	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1	150385214	KUASYKCDESHPTC-CHSHITCJSA-N	680.057	8.522	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(Br)c1	150385829	ZMZPKTMGDLIYES-LJUMEUDFSA-N	658.416	5.960	50	40	KKGB	
O=S(=O)(/N=C1\C(Br)=C(Br)/C(=N/S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Br)[C@@H]1Br)c1ccc(Cl)cc1	150402999	UVNNXZBWWIJGNO-XDWMQNLLSA-N	772.944	6.495	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	150437173	LCQWJNLJBFTGNA-WQRHYEAKSA-N	695.251	6.327	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2cccc(Br)c2)cc1	162502641	IGUJQSGSTQVXBZ-XICOUIIWSA-N	642.575	6.835	50	40	KKGB	
CC(C)(C)[Si](C)(C)Oc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1	195858721	YYSIXGNGLSNJGQ-UHFFFAOYSA-N	587.858	8.754	50	40	KKGB	in-vitro
CCOc1cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1	408538196	KBEDATYZGGGVBR-ZTKZIYFRSA-N	532.640	7.406	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(C(=O)O)cc1	408540681	AXRLITJAIMNMPA-NVMNQCDNSA-N	652.182	6.145	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c(C(=O)OCC)c1C	408546723	OBLMTRCOMKWDOX-SFQUDFHCSA-N	536.562	5.605	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc2-c2cccc3ccccc23)c1	408728105	ZTWWFJVJBACZSV-GOJREDGKSA-N	536.635	7.344	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccccc1	408740892	DUGYCEXFZCWIBQ-YVLHZVERSA-N	651.198	5.929	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408743538	GMUVPEDWGBIXEK-ZDLGFXPLSA-N	556.800	6.534	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408745686	UZQGDHPNANCKEM-WQRHYEAKSA-N	601.251	6.643	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(I)cc1	408758347	JCYLPYVQNNEENM-LGMDPLHJSA-N	528.733	5.709	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408759531	GPDVDKBGEMEVEG-APSNUPSMSA-N	520.185	7.020	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408767594	YVBVCXVVIVYFHW-PXNMLYILSA-N	672.542	7.594	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1	408773415	KOEJATNGHCHZNS-JFLMPSFJSA-N	520.438	5.046	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408790977	ZUBYTONFJBJNSZ-RGVLZGJSSA-N	607.258	7.398	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1Cl	408793261	OBOPDHJRMCDFQE-LDADJPATSA-N	514.750	6.069	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc2ccccc12	408793274	OCFLDMKVHBLYBO-CIAFOILYSA-N	605.388	6.486	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)cc1	408796645	OOYCVQFRYPTNGW-CIAFOILYSA-N	601.282	7.049	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	408826279	LDZPMJYEEHNPTC-BQIMNVTISA-N	687.911	6.739	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408836313	PWQUJLXPSADYRL-YDZHTSKRSA-N	642.366	9.403	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5F)c(Cl)c4)cc3)cs2)cc1	408838058	BTRDBHDAVAZYAU-KVAAJVFYSA-N	571.077	7.998	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccc(F)cc2)cc1	408838422	VZAZBKCKUXZURV-KBVAKVRCSA-N	536.604	5.026	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(O)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408847526	SQOZJUNZBSDYGG-LUOAPIJWSA-N	517.825	6.983	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408848672	RTWHLPZPJOJZDC-QJOMJCCJSA-N	546.048	6.178	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408855310	CFVRZGWLQWTNSF-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408863961	VUZCYUGWYABAFI-ODQASSKESA-N	739.903	7.959	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	408865777	FMOYLVSNJHFNOJ-UDWIEESQSA-N	570.281	6.907	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1ccccc1	408885587	CKFYTUWQRPWLLJ-OGLMXYFKSA-N	553.434	5.533	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cccc(I)c1	408892986	DRMLDHQDMWGWMO-LDADJPATSA-N	525.302	5.324	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	408906114	APOYKVNKAJFXQH-JBIOKXMTSA-N	547.453	5.260	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408957481	URVXWOBMPCHJDO-OEISHWKDSA-N	671.534	5.310	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCCOc2ccc(C3CCCCC3)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	408972438	TZQIINUOTHANCI-JLPGSUDCSA-N	537.443	8.471	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408979763	OLFCSWXCWAXRGH-IHMSYIQPSA-N	635.356	6.802	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(C)n1-c1ccccc1Cl	409018194	YJCVTTZFZSCLDN-KBKYJPHKSA-N	596.650	6.625	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409019600	ZVLVJRDFQMGWOV-IVWJEFBKSA-N	697.105	6.354	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(Br)cc1	409036902	WQLHSBUWHGSHKB-HQDYHJHZSA-N	645.351	7.778	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1cccc(Cl)c1	409038095	ZNCWMBXVQVEOBW-KVAAJVFYSA-N	694.982	8.163	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409047319	OEVULZISOHBRMF-VCHYOVAHSA-N	543.929	6.239	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCc1ccc(Br)cc1	409063267	JSHFYRBGYYPSMM-KGENOOAVSA-N	537.841	6.964	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409075847	YMZCBTYLYRCTFG-LDADJPATSA-N	575.426	5.492	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409080588	NIRPRHZFKLSVIJ-PXLXIMEGSA-N	547.589	5.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1F	409081356	NUGCVAXVQBGKQG-VFLNYLIXSA-N	514.395	5.355	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1C	409122467	ZFXVPVYMQFYLMQ-OJYCWLPVSA-N	588.693	7.049	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409146712	SRTGCUAUGXZLNC-VATWTLTGSA-N	517.807	5.264	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccccc3Cl)cc2)cc(OC)c1OC	409222156	AJZIMURBNWFZHY-FZPRHHONSA-N	633.013	5.509	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409226092	SAQVBCPQVRXUTB-LJUMEUDFSA-N	572.961	5.492	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5cccc6ccccc56)(c5ccccc54)[C@H]3C2=O)cc1	409226716	RUPDIZQBZLBEIN-LADZVUMRSA-N	575.668	6.044	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)c(Cl)c1	409254240	WITWJNRRIBDDCA-KKMKTNMSSA-N	519.454	5.620	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)c1	409259483	ZQJNAJBXOCTMTO-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409266712	QWMOQUDVFCERJX-RGVLZGJSSA-N	663.434	6.889	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)c1	409270428	FWERGNRWMWFOPM-KULFSUQXSA-N	644.584	8.259	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)c1	409271967	WVUHMUDNJFXYEH-LPYMAVHISA-N	518.411	5.307	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)ccc1OC	409310229	SKYRKUVNICNGEA-CPDSRJINSA-N	596.305	6.905	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCC(=O)Nc1ccccc1	409317651	RNKLJEJQSDVRRX-FZKWRIDDSA-N	679.511	6.059	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1OCC	409317886	RXYRGPCJHKVJTN-LJUMEUDFSA-N	587.898	6.808	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccc(Cl)cc1	409320768	CRPMSALICBZSBD-GXBUFBABSA-N	559.062	7.059	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCCC)c(OCC)c2)cc1OCC	409322961	MDRWGYZWQLGBSB-QQXSKIMKSA-N	505.409	5.364	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409334603	UIPIDEMIQZJGQT-ACXHZZMFSA-N	618.912	6.080	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)ccc1OCc1ccccc1	409335972	QPADYGBRCBWBCY-FZPRHHONSA-N	578.452	6.362	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409390580	FLPPOMKKAPZXST-FJEPWZHXSA-N	563.408	5.660	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409394824	GKHDDUREEITYPP-UHFFFAOYSA-N	753.831	8.239	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409395294	LZTZFUNWUOUBLM-UHFFFAOYSA-N	616.855	6.963	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397027	FFMODSOINPSLET-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
C[C@](Br)([C@@H](Br)C(=O)OC(=O)[C@@H](Br)[C@](C)(Br)C(F)(F)F)C(F)(F)F	885164246	ZELPMBBZBYPHTK-KJQSODDZSA-N	609.775	5.015	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)cc1	2342211	ZHZVOJPFAFSIBF-RKZIHRPTSA-N	508.430	6.367	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)[C@H](Br)[C@H](Br)c2ccc(C(C)C)cc2)cc1	2557772	JRHOYCAUOJVCSZ-DNQXCXABSA-N	580.338	6.969	50	40	KKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)C(C)(C)C)c3)c3ccccc3n2)cc1	8454684	SDFDHVHMVLAYHD-UTMLYNKZSA-N	520.677	7.554	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1	9215877	MZGKOOYKDNBCKH-SCIJIFGBSA-N	512.393	6.197	50	40	KKGB	
N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1	9323093	DOGOVUBGIZYGQC-VFLNYLIXSA-N	502.290	5.682	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(O)(c1ccccc1)c1ccccc1	9934871	NFNSWXTVQGEOAH-NDZAJKAJSA-N	515.407	5.414	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(CC)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C	13749995	QSZWTGWCNXTOAV-RGEXLXHISA-N	523.680	6.851	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1nn(-c2ccccc2)c(N)c1C#N	97965892	WNXURWPUFVLQKN-YBFXNURJSA-N	575.264	6.494	50	40	KKGB	
CCCCCOc1ccc(O[C@@H](C)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1	98045806	ZEYOFHVBNKHVTB-DDBXXPGKSA-N	539.470	6.515	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048782	DEZWQEQBTWVWKM-XIFFEERXSA-N	665.171	6.992	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	100128941	MHQMVXOWZKVRND-OKCVXOCRSA-N	556.475	5.142	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102806708	SVFIKWWZVVYDOK-HHHXNRCGSA-N	575.046	6.059	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1Cl	102807848	XCKDKAFXNLDFDF-RUZDIDTESA-N	593.930	7.115	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	105511235	ZPXVWQYQLFXAMC-ZMOGYAJESA-N	554.488	5.371	50	40	KKGB	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(F)c2)cc1Cl	105891540	JEQVXCVNVUEHFD-SBSDBWFASA-N	524.861	5.988	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c(C#N)c1C	107993722	CMGUNXGDSMDQDL-OQLLNIDSSA-N	505.508	5.000	50	40	KKGB	
CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341522	MMTLEFYJOUMOHF-GFCCVEGCSA-N	664.275	10.085	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	162393999	AYYXFLOWCPYKNI-ALQBTCKLSA-N	651.141	5.029	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCc1ccc(Br)cc1	164578137	SJIFCMOPURGQLC-UVHMKAGCSA-N	658.128	6.558	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164698455	WGWASZBOOQMPMI-UCQKPKSFSA-N	653.318	5.760	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164736104	PLXJYQQCEWEKML-NVNXTCNLSA-N	673.088	7.393	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408530031	KTYRNVQFMSYGEF-AMVVHIIESA-N	516.476	5.154	50	40	KKGB	
COc1cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1	408537969	IRILXONEDHAMKB-XIEYBQDHSA-N	508.549	6.538	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	408539381	WFRLUVFUXQECFW-AQTBWJFISA-N	568.737	8.150	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	408540015	LTANVIBQPVCESK-DXJNIWACSA-N	569.496	6.768	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccccc1F	408544926	YQEVVPNJZSFMBE-GRSHGNNSSA-N	586.357	5.652	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc(C)cc1	408545259	XBHDTEYOANXEHF-JMIUGGIZSA-N	521.367	5.589	50	40	KKGB	
COc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@@H](Br)c2cccc([N+](=O)[O-])c2)cc1OC	408668177	CTDBYSBZQCFGMQ-GMAHTHKFSA-N	514.328	5.157	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408689280	YBRPQXRICZKWPI-JNYDFHNISA-N	646.119	5.237	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408739914	GLBPGWWGXMRDIY-RQZCQDPDSA-N	553.325	5.290	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1	408759212	ZUURJIIGJXVVLI-JFLMPSFJSA-N	504.340	5.853	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1cccc(F)c1	408760467	ZAZRBAYSYXBSKB-NVMNQCDNSA-N	574.244	6.874	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Br	408766063	ZAUWEVPDPCTLOC-YSURURNPSA-N	508.132	5.322	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(Br)c3)c2C)ccc1I	408785710	BDOHGPOSSHZJND-ROTLSHHCSA-N	566.237	5.299	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccccc1Cl	408790444	WFZDLVPSPKYUTF-UDWIEESQSA-N	507.804	7.925	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1cccc(C)c1	408791454	XTDAFMLMNGMEMI-VXLYETTFSA-N	511.803	6.544	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408791474	XYVQHGGAAZAKIZ-VIZOYTHASA-N	618.085	8.029	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408792244	AALJNOIDSKLZFZ-SRZZPIQSSA-N	550.409	6.498	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c1C	408798084	UFWGIYLHBSQOTJ-DJKKODMXSA-N	558.245	7.092	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccccc1C#N	408798146	UTRKMDDTROLSML-FSJBWODESA-N	530.422	6.461	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccccc1F	408830060	XZAGHBRUBSPGKD-BOPFTXTBSA-N	516.285	5.694	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408833026	SRPDJRQKQGXUKB-XDHOZWIPSA-N	560.275	7.669	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1	408835136	WHCVIPOHOVEWHZ-KYHGBAKBSA-N	609.104	5.038	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c(OC)cc1Cl	408835714	XURUSUYNYSSXCP-DEDYPNTBSA-N	516.956	6.774	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccc(Br)cc3/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)sc2c1	408838021	BKKXZNWWUIYTOV-KVAAJVFYSA-N	646.950	7.861	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccco3)cc2)cc1	408840305	AKVZMEZEHJHHFM-MUFRIFMGSA-N	562.376	5.286	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408842772	KSOYNFQONPAJSV-VTNSRFBWSA-N	562.409	6.237	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408864044	RRUHHZLAAIPRHW-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408864366	ZDONUSUGQAUTDA-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408864785	ZZQWQQDUXQIDSK-KKMKTNMSSA-N	538.225	5.873	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408866986	JJTTZENTKUSTLP-QNKGDIEWSA-N	571.699	5.743	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408869051	PBVQAQBNVKOCHF-CAOOACKPSA-N	623.325	6.351	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408875087	CUKYSARGJZIDIA-AABVJFSESA-N	711.849	7.343	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408886871	MTEBUVKKYNSJIO-MHWRWJLKSA-N	516.178	6.521	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408888363	USTLMEMUYKPMFE-BJMVGYQFSA-N	552.124	6.378	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Br)C(=O)Nc1cccc(C(F)(F)F)c1	408889273	BJGVMLRMYVKGAY-LDADJPATSA-N	501.302	6.593	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OCc1ccccc1	408890446	TZRDTKSRDARCAN-ALQBTCKLSA-N	551.127	7.311	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	408942593	GGLSVYVEMGUBRV-BHVANESWSA-N	669.807	6.696	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1	408952680	WMQGDAAUYQMOLX-MUUNZHRXSA-N	627.550	5.457	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2Cl)cc1	408956809	YOHIBZITBHNLQB-UUYOSTAYSA-N	504.417	6.628	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c(OC)c1	408957796	WADUCZSOHBCFJY-XFDKPESPSA-N	718.210	7.193	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408969725	SMBHWUWAHSEDCM-NCAUGAEKSA-N	603.094	6.576	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	408980428	QVVLYMQXPOFWGI-FOBKEZNCSA-N	516.395	5.721	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408982041	FIVZJJIYLDPSJC-YBFXNURJSA-N	570.827	6.843	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)ccc1I	409009957	CRNGPFFKPAUYBQ-BCHBDCPOSA-N	702.128	6.884	50	40	KKGB	
Cc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409015271	ZFZFJLLLHXKAPB-DHRITJCHSA-N	566.237	5.863	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)COc3cccc4cccnc34)cc2Br)c1	409016017	ARCGIPBZCBKQSY-FDVSRXAVSA-N	504.384	5.414	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccccc1F	409030388	DAYJSEALOTXSES-KVAAJVFYSA-N	678.527	7.649	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12)c1ccncc1	409036292	QTCREXXFZNURHL-TTYBOPCBSA-N	567.432	5.355	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409043123	PYCFQCCYUMBGRA-WOJGMQOQSA-N	565.367	5.831	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	409083100	KNPZJGRACHNKGJ-OVCLIPMQSA-N	602.195	6.674	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1	409112098	AXZINWZJMSCTJB-ALQBTCKLSA-N	642.561	6.325	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409119534	SRRJBLTYXAFRII-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(C)cc1	409126947	BVFOFLMOJUBPCI-HHHXNRCGSA-N	641.550	5.960	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)[C@@H](O)c1ccccc1	409145853	QFUGIEOXWSPJAV-HTHFWCIQSA-N	646.650	5.312	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1	409148560	ZWXBCQIHURBQII-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
CCOC(=O)c1cccc(-c2ccc(/C=N\NC(=O)[C@H](CC(C)C)NC(=O)c3ccc(Cl)cc3Cl)o2)c1	409159390	ZWUCONYJYOAUSB-NRFCLKMUSA-N	544.435	5.725	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409210020	JEWUIAOBGXFZTM-RPPGKUMJSA-N	564.845	5.841	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(OC)cc3)c2)cc1OCC	409218495	JBFAYKRHUOUDTI-UHFFFAOYSA-N	660.521	6.491	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cccc1[N+](=O)[O-]	409227468	YZCUKWDJMSDWKQ-FDVSRXAVSA-N	552.971	5.225	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)c(C)c1	409250410	LEJZYNCWZRTAJO-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409253853	GTHZSCVMMLNNJY-JAIQZWGSSA-N	629.882	6.523	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409255017	KEQOQKWMNGSVNG-MUXKCCDJSA-N	544.833	5.591	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)c1	409257284	NXVRIECGEOAICF-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409258400	XKJVIRSEGGLQEN-WLRJZGMVSA-N	620.544	6.057	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409260769	WCXCHQHUEXRXGR-YSYOEVFLSA-N	674.610	8.267	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409261970	GJYKGKVKBXDCOG-CIAFOILYSA-N	595.437	5.788	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1	409267865	WRUWASHALYVRQK-MTJSOVHGSA-N	547.995	5.315	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409270617	GHVSBFKHBUNMMA-YSYOEVFLSA-N	766.061	8.219	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1OC	409303209	MEUKATZZKRSDRZ-LJUMEUDFSA-N	645.494	5.577	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCc1cccc2ccccc12	409313025	ARBBPVGHCHRZCG-DBSPGSINSA-N	686.546	7.774	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OC	409314335	SJPWAOFARMGDNR-LQNQUEJISA-N	629.451	5.045	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409318271	YAQSZDAJXDCQJV-PMACEKPBSA-N	603.311	5.809	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)ccc1OC	409318752	ZJJHJIRVKOVNSR-NUJZUDFISA-N	619.310	5.709	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1OCC	409319414	FUPKUMTYMDLQCQ-MWLSYYOVSA-N	543.845	6.409	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OCC	409324568	UENSDJNGGGSECD-LJUMEUDFSA-N	552.027	5.402	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OS(=O)(=O)c1ccccc1	409326084	GMENGYAEQVMTQE-MZFJOGFUSA-N	686.524	5.809	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccccc1Cl	409371173	CFWFKALOMHZEBI-YVLHZVERSA-N	519.741	6.735	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c(OC)c1	409383780	GSXNSVRVZKPHHV-KKMKTNMSSA-N	582.676	6.225	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1	409395773	ROTQDNVWCZGTLF-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)c1	409396034	VOUSPDISOZRVBN-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396571	XBVCBRGFOGAIGV-UHFFFAOYSA-N	589.545	7.375	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409397758	NTPXQDBWMCCBTE-UHFFFAOYSA-N	663.899	7.475	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1O	409401595	HPZLCRYWQZMCNB-CPDSRJINSA-N	586.870	6.550	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)o2)cc1	409403505	NGLAFOMYMPEGEC-AEUUOICLSA-N	642.068	6.609	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Br)cc1Br	1531386437	VTEWYBPFYNGYPL-VHFSBPNMSA-N	707.419	8.143	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	8411637	SKUPWLBAXSFRPH-HHHXNRCGSA-N	510.619	5.402	50	40	KKGB	
CC(C)(C)N(NC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)P(=O)(Oc1ccccc1)Oc1ccccc1)C(=O)c1ccccc1	8453178	TXPTXCUHUKJUQB-MUUNZHRXSA-N	602.584	7.100	50	40	KKGB	
COc1cc([C@@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)ccc1OCc1ccccc1	9693591	FWAIKATVBSCCDB-NRFANRHFSA-N	501.583	5.633	50	40	KKGB	
O=C(COc1cccc2ccccc12)N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1	15634795	FXEMOPKXJQOCFV-DVGYGAJWSA-N	502.014	5.438	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H](C)CC)cc2)ccc1OC(=O)c1ccc(Br)cc1	97961771	KCYGZNXUDNXJSQ-WMMCOQJOSA-N	553.453	6.110	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(I)cc1	100063282	QXUCISPGAMBRGC-VULFUBBASA-N	579.232	5.334	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1	100126633	LXACJDPYVIFKLM-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100141547	RMCSFFDMBNBZDE-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
COc1ccc(Br)cc1/C=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1	100852151	XPLUEOXCNRKBJS-LJUMEUDFSA-N	592.563	6.554	50	40	KKGB	
S=c1sc2c(s1)S[C@H]1[C@H](I)[C@H](I)C[C@H]1S2	101463570	IDORSZWXNJCJBK-TXICZTDVSA-N	516.279	5.485	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	102130169	RFGKBFJIANZRTR-PXNMLYILSA-N	611.117	7.652	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)c(OC)c1	102689752	GYBURSYRYFMBOD-VWLOTQADSA-N	538.069	6.635	50	40	KKGB	
COc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C(\C)c3ccc4ccccc4c3)n2-c2ccccc2)cc1	103254246	TXFNHFRVPYVRMI-QZNWDDDSSA-N	550.688	6.062	50	40	KKGB	
CCP(=Nc1cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O)(c1ccccc1)c1ccccc1	104207474	LYJTWMQRJKTRJB-UHFFFAOYSA-N	619.789	10.576	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	150366034	FFLSLNQYOOOPCN-GUBAARJWSA-N	684.612	7.196	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Br)ccc1OCc1ccccc1	408539969	LCEBKNVRWAOUKC-FZPRHHONSA-N	683.353	7.440	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408550092	DNMZBMOTHBHIFA-MSXFZWOLSA-N	576.390	7.394	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550631	FWQKBSXNBKLEKA-CNCDYAKUSA-N	662.311	6.470	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1cccc(C(=O)O)c1	408552013	RGRPMJDCWXDAEZ-MXAYSNPKSA-N	528.402	7.342	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408553256	NDIFHJFDEIGWKR-CAOOACKPSA-N	664.352	7.543	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	408579897	LFCOCPFZQUNBFP-GZTJUZNOSA-N	504.789	5.943	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408589602	MDBNPJPOBFZDAY-KVSWJAHQSA-N	556.671	7.151	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Br)cc1	408598610	FVVPKPDMWNSGSY-BRJLIKDPSA-N	610.202	5.313	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408677603	SKRJARUNPAFXFG-FDAWAROLSA-N	626.495	5.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408677921	WALWTHSYYZHFIR-OCSSWDANSA-N	603.888	6.286	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1cccc(C#N)c1	408712101	ZMXQNKLZPLPJPA-CCVNUDIWSA-N	604.242	5.667	50	40	KKGB	
CC1(C)Cc2ccccc2[C@](C)(C(=O)N/N=C(\COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc2)N1	408734340	ONCLYHYEZNULEM-VTJYTISOSA-N	561.770	6.893	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3)c2-c2ccccc2)cc1	408741944	SXYUFMFAFXPVGQ-PPFNPFNJSA-N	513.597	6.752	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2-c2ccccc2)cc1	408743006	RIXYJXRANLYLJT-PPOKSSTKSA-N	520.032	7.627	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408746148	BTRISBDUQWVQJI-PXNMLYILSA-N	566.666	7.543	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc(I)cc1	408751114	WQBNQUJBUIDGBJ-KCSSXMTESA-N	718.329	5.870	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(C)C)cc1	408754223	JEWADYMDLPPXDR-XFBJJFJZSA-N	508.427	5.015	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)sc2c1CCCC2	408755545	VNBRPYWJKCBRPW-UYRXBGFRSA-N	552.494	6.519	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC	408792622	BKEWIJJQAOKGTL-RIYZIHGNSA-N	541.172	5.554	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408792634	BQLYDDXZTZKXOT-OEAKJJBVSA-N	561.863	7.779	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCC#N	408793939	GRVQDTCGXPWDIO-WUXMJOGZSA-N	528.133	5.055	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408799057	XSLDJKVMEIJIHT-OEAKJJBVSA-N	699.770	8.411	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cc(Cl)cc(Cl)c1	408828510	NGSDFPUXMUTBIA-UVHMKAGCSA-N	540.856	5.142	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408831821	SGMBECVONIISTK-UXHLAJHPSA-N	556.084	5.266	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c1	408832988	YQHLUYJDUGSZTL-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408836570	SOLQSSDZPBVXKK-BUVRLJJBSA-N	696.823	8.967	50	40	KKGB	
Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(CN(Cc4ccc(Cl)cc4)S(=O)(=O)c4ccccc4)o3)n2c1	408837768	NEKDMJWOBFPVBW-ACXHZZMFSA-N	576.078	5.353	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccccc1	408840220	CMFYKQUTLKICJX-HIWRWHBISA-N	619.463	6.948	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408841329	FKAHKOKCPANJGL-MHDJOFBISA-N	677.920	7.461	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408846338	MXYXZSIBGLOKQB-FPQJKWOGSA-N	799.856	6.585	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(I)cc1	408848245	UYZNJTLGYYYMHI-KULFSUQXSA-N	743.454	9.207	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1	408849317	ZNOIQQONLVVSRS-VWJSQJICSA-N	599.591	6.484	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Br)cc1	408850453	NVZNJAMCJLJXMW-DBFSUHOCSA-N	651.149	7.462	50	40	KKGB	
COc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1	408856122	JBFNUNMWZLDWOY-CAQPMQTCSA-N	555.704	6.759	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408859152	LZHKSXZBBLSZRY-QNVXDBMFSA-N	621.056	6.559	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408860530	XPSCGBWPNJUOBH-VEDIRDOVSA-N	526.829	5.210	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Cc2ccccc2Br)c1	408871155	YNHYABVXRASFFB-VCHYOVAHSA-N	516.222	6.901	50	40	KKGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1	408871201	YCBMREUTCMCDJO-PGGKNCGUSA-N	515.806	5.250	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1Cc1ccccc1F	408874816	BDMAQUIUDRXLMW-WOJGMQOQSA-N	544.339	6.105	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Cc1ccccc1Cl	408875322	JLGSSWYQXWIMHN-OVVQPSECSA-N	523.032	7.454	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408879044	AHWOTWSSTPYJKK-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408883784	WNXRDGHYQOYFNC-RIYZIHGNSA-N	539.844	5.411	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccccc1Cl	408884847	YPOPVLQEVFZMFS-LICLKQGHSA-N	541.785	5.934	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	408886612	HNZMEZNXQPJRKI-KKMKTNMSSA-N	585.225	5.715	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl	408887883	RUNBGSVQYORTKJ-XODNFHPESA-N	599.252	6.105	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OS(=O)(=O)c1ccccc1	408895061	LSBJHRNUIBKOCK-OGLMXYFKSA-N	508.983	5.424	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OC(=O)c1ccccc1	408897527	XNZNVJSQOMZDDV-LGJNPRDNSA-N	603.463	5.371	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccc(F)cc1	408903987	CAXKLIYRWFDEJP-UHBFCERESA-N	517.513	5.950	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1	408935481	DZVNJPWHTXLMMI-UHBFCERESA-N	513.391	7.000	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408970631	JLTYHTBZHHXZLK-SRGWVCNISA-N	595.439	5.807	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC(C)C	408970838	LCOGCHINNDXRLB-LXYGGNEESA-N	664.368	5.842	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C2CCCCC2)cc1	408979121	LLOMPUKEJMDMLR-QFMYPOKUSA-N	546.715	7.153	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408990316	KLZTVYVHKDRVFZ-PXNMLYILSA-N	659.589	8.614	50	40	KKGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)OCc1ccccc1	408990890	OTMOSNUEYDWGQU-KJCPMMCWSA-N	547.615	5.130	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1	409004100	WOBODFWRCUWNBY-MSHUQIKOSA-N	603.311	6.118	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008366	WONXMBCJLOLYIE-MWLSYYOVSA-N	589.736	7.343	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	409012531	IPWRSCSMTFCUSM-SZYMHDBMSA-N	588.488	5.879	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1cccc(F)c1	409013755	VCLBRUOZVDNLLA-VFLNYLIXSA-N	637.243	6.681	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCc1ccc(C)cc1	409017681	OFNXOCFGLGLOFU-APTWKGOFSA-N	509.606	5.779	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	409038608	PQHQWOSCKSPUBS-SFQUDFHCSA-N	519.985	5.018	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1	409043844	AWFPYBAVQOCFIE-LICLKQGHSA-N	560.217	6.484	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)Nc2ccccc2)c(OCc2ccc(I)cc2)c1	409068028	JVIISIPGEVKTKE-WPWMEQJKSA-N	542.421	5.872	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1	409074575	VOFXPYPEUVNYPU-UVHMKAGCSA-N	629.758	5.215	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c1C	409078684	JGCUOIOVBDPYMV-LZYBPNLTSA-N	550.320	7.875	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409089737	JZLZMLWIIQOCHX-OVCLIPMQSA-N	625.195	7.785	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cccc(Cl)c2)cc1	409126574	LIHFVZYFEVKJAE-FDAWAROLSA-N	609.060	5.181	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409157938	WYWBVSJORQBJPH-PUHLOBNQSA-N	574.987	5.266	50	40	KKGB	
Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1	409160612	UVWYAWRMRDORLI-XKJRVUDJSA-N	592.277	5.479	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	409171277	ZVLFHQUSJHYIMW-LQKURTRISA-N	528.834	5.941	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1ccccc1O	409217570	DHUKRGCYTVCHDM-QWQZWDJFSA-N	563.613	5.512	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Br)cc1	409220155	YRSBXKMCAXDUIY-RGVLZGJSSA-N	597.307	6.700	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1ccccc1	409222209	WAVKZJONTVQAOP-WBRURWICSA-N	587.255	6.417	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	409227725	VTBDYURCYOOGEA-FHMAFLEASA-N	564.016	5.375	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccccc1C#N	409228299	WYAGOASOVXMUQK-OMMIQNFISA-N	563.395	5.535	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccccc1	409239309	PIKHVHQWXMFNDJ-NBZOHKLQSA-N	584.264	6.273	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1	409265277	UGMUIELHXUDDMO-MFOYZWKCSA-N	603.698	6.737	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1Br	409313734	IUMJUCTZCWKNIH-QFEZKATASA-N	540.252	5.728	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1OCC	409321550	IGJAFOHAQAAWFV-FDVSRXAVSA-N	574.859	5.681	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	409326495	KYYUTGCWSONJQL-FZPRHHONSA-N	683.353	7.440	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)ccc1OC	409331674	HEXMOENVCIOTAU-MUXKCCDJSA-N	560.832	5.291	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc12	409371235	DDWUPHRAJSOWKU-QRVIBDJDSA-N	529.390	7.552	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(c1ccccc1)c1ccccc1	409391855	LVLVZDCLUKBYIQ-ZXSNDDASSA-N	549.468	7.464	50	40	KKGB	
C=CCn1c(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21	409400038	BCPQKNLQJOWTDH-MZFJOGFUSA-N	506.606	6.479	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409400979	FVHXGRIZIMMQKG-WBIBEUCMSA-N	611.098	7.009	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)Nc1ccc(F)cc1	409403245	MGBJQVHPXQJALS-OCUJFKKWSA-N	723.983	7.611	50	40	KKGB	
COc1ccc(OCc2cccc(Br)c2)c(/C=N/NC(=O)CCc2c[nH]c3ccccc23)c1	2100796	UOFGWLBYAPWGTK-MUFRIFMGSA-N	506.400	5.601	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc2ccccc2c1Br	2165899	YEYRULLOBFUOJM-WYMPLXKRSA-N	506.194	5.293	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)ccc1OC(=O)c1ccco1	3272745	RNIFCVVXXLFUEK-KEIPNQJHSA-N	546.579	6.517	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCC)c(OCC)c3)cc2)sc2c1CCCC2	6167467	NRAAXQQZENPZHO-ZBNAGYFTSA-N	607.729	5.771	50	40	KKGB	
CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)c(C(=O)OCC)c1C	9424725	AKKDLVXDBLXONN-JXAWBTAJSA-N	517.632	6.663	50	40	KKGB	
CN(C)c1ccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1	16733905	YOFPIFUCKNPNRV-HMMYKYKNSA-N	503.002	6.985	50	40	KKGB	
CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C(c2ccccc2)N1	20136696	XWXOKZZLNNKSON-HSZRJFAPSA-N	511.043	5.813	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)NNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cc1	25765719	OULDQIHRKSJRGD-UHFFFAOYSA-N	501.656	5.245	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1	97980866	KOQWUKHKRBXUHB-DFKUXCBWSA-N	510.642	5.892	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[P@@](=Nc1ccccc1)(c1ccccc1)c1ccc(Br)cc1	97983423	UWONIENVSPFPGA-UUWRZZSWSA-N	526.418	7.061	50	40	KKGB	
CCOc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1	98048470	BTLDXKXOCUBUIV-SANMLTNESA-N	532.065	6.537	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	100065135	CZBTVKGBFOPEMH-WKULSOCRSA-N	588.833	5.857	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332331	BOJQPKDLWRAWFS-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
CC1=C(C#N)c2nc3ccccc3n2[C@@H](O)/C1=C\Nc1cccc(N/C=C2/C(C)=C(C#N)c3nc4ccccc4n3[C@@H]2O)c1	100927382	QKPXRAGTEDXSSD-GGGXEYOHSA-N	578.636	5.981	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1	100988850	WLORXAMFVBWXFX-OWJYGESUSA-N	542.875	7.020	50	40	KKGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3ccccc3oc2=O)cs1	101034261	BEEWBRWZMQMPQG-RQZCQDPDSA-N	557.569	5.363	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2nccs2)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	102139648	KEUDYZPWVHJBIR-KGVIQGDOSA-N	585.054	5.402	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	102808128	OFXFRTVBQUOHTO-RUZDIDTESA-N	552.578	6.313	50	40	KKGB	
COc1ccc(N2CCN(C(=O)[C@@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)CC2)cc1	102973896	AIDFITWLUCMQOE-ORYQWCPZSA-N	579.171	5.030	50	40	KKGB	
COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-]	103889156	FZTKILVUZWMGNM-YHYXMXQVSA-N	518.094	5.060	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc2ccccc12	103890666	XKEQOTRMDVBRSI-BKUYFWCQSA-N	596.308	8.432	50	40	KKGB	
CCCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC(=O)NCCCOC	104109904	YYADWEWIARORIR-SFTDATJTSA-N	513.399	7.147	50	40	KKGB	
O=c1cccc2n1C[C@@H]1C[C@@H]2CN(c2oc(-c3ccc(F)cc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1	104150374	YTMMESVXEUOSRF-XRKRLSELSA-N	612.665	5.886	50	40	KKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1	104951934	SBELBPVDUWISFT-UDWIEESQSA-N	532.463	6.694	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1nc2ccccc2[nH]1	113831897	XDNVRCYUXKLSPX-CXUHLZMHSA-N	527.191	6.870	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	150486051	FUMCBTKGBQKTNI-KCSSXMTESA-N	639.086	5.190	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	162450115	YMMIWUJNSWAMTD-QNVXDBMFSA-N	637.511	7.074	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(I)cc1	164703340	UPXPRTUIPLHAOM-JCMHNJIXSA-N	658.334	5.897	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795261	ITRVJOXJQVPORW-SYDPRGILSA-N	960.007	11.242	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]4[C@@]34C=C[C@@]2(C1)[C@@H]1C(=O)OC(=O)[C@H]14	257348129	BPXYDBBZMNFAEY-SFOVBKEGSA-N	536.753	6.907	50	40	KKGB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)C(CO)(c5ccccc5)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C	263610834	WNWZVDVWRVSRPD-VPYXFJBUSA-N	964.078	6.183	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2OCC)ccc1OCc1ccccc1	408537061	CAWLLIQHZLFEAP-KWQVAVEISA-N	700.655	8.600	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1	408539121	TVVJEOHMPOIMDW-VEILYXNESA-N	611.536	8.168	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OCC)ccc1OCc1ccccc1	408539316	VJBDDGRTQPGJLE-STBIYBPSSA-N	641.562	7.628	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553469	WQUOVEWUPIHEFB-ULTCEKQJSA-N	588.797	6.846	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553653	OYZMUJOTQJMGDL-LZYBPNLTSA-N	566.666	7.500	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)c1ccc(Br)cc1	408579406	GZZWWJQOQDGVLS-RQZCQDPDSA-N	582.517	8.271	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1	408602709	DJZSHEMKIDIMPJ-HSZRJFAPSA-N	536.535	6.051	50	40	KKGB	
O=C(NNc1cc(Cl)ccc1OCc1c(F)cccc1Cl)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	408603918	HKOJGVJTLCKZKD-CQSZACIVSA-N	506.336	5.347	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408641944	LMAIMJVDLDWOPP-YXZMJPADSA-N	645.175	5.934	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccccc1Cl	408650469	FRMMYRDUHMPFAI-KENYODAJSA-N	610.925	5.255	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408655892	SAYAIYMPQRVISI-HSPNGBHYSA-N	691.631	6.009	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)ccc1I	408747566	PRPRFAPHTBCQOS-LUOAPIJWSA-N	863.997	6.457	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408755868	WMJIFDQABIVQRN-KBVAKVRCSA-N	554.400	5.287	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl	408756675	SDZBQDLBGDSNMJ-XNTDXEJSSA-N	535.214	6.863	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2)cc1	408763370	NHYRPYJCMJNXCX-LFVJCYFKSA-N	526.570	5.330	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408785553	HKAYCQIJIOTXRY-XHPQRKPJSA-N	538.604	5.167	50	40	KKGB	
N#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br	408789778	LHCULRKWLMAMHE-XDHOZWIPSA-N	567.237	6.239	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408795127	LCYNBJLOONKMFA-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1I	408799654	ZUZAIWIHZAGQNM-MHWRWJLKSA-N	584.195	5.569	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1	408804755	HGAVXUWGRPAIKW-HAVVHWLPSA-N	555.428	6.904	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408825380	IFJATQBENKYGKU-ZVHZXABRSA-N	618.473	8.004	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408827414	JNZSMAIQIUCKFY-ATZGPIRCSA-N	677.404	6.689	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408829695	NBEKRXWBKSARLZ-JVWAILMASA-N	645.981	8.822	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408835330	WMVLDBBCPOVBJJ-OVVQPSECSA-N	563.610	7.006	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1c(C)ccc2ccccc12	408836696	ULEVNEZHLVMUSQ-MTDXEUNCSA-N	637.563	9.557	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408836961	XHAZEKKNFULGRN-WCMJOSRZSA-N	590.916	6.324	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408847334	UCFHHBOZSYIZNJ-LCYFTJDESA-N	508.224	7.354	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1cccc(F)c1	408847393	VLCJWELBDHFEAY-XZYGTATASA-N	580.685	7.743	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F	408861549	SJIUFQGFDVTIPY-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1Cc1ccccc1F	408868709	AWVBQGXIDQIBHE-WOJGMQOQSA-N	513.794	6.777	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)c(OC)c1	408885298	ZAKPCKYXTBONKH-RGVLZGJSSA-N	633.280	5.873	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408888835	BOTWSDGLKZUGLA-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c(Br)c1	408890552	VNNZYOYWBYHYJQ-LZYBPNLTSA-N	629.563	8.605	50	40	KKGB	
COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)c2)cc1	408898141	UXPGQFLNDKKUKJ-CXUHLZMHSA-N	512.305	5.675	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)sc(C)c1C	408905537	YXEYVMMQTBIKKL-ZRGSRPPYSA-N	508.556	5.367	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408912139	PQMYDRWIJTWOJG-ALQBTCKLSA-N	667.475	5.233	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(Cl)c2)c(OCC)c1	408953127	WVROJBNGHZIAKN-LJAQVGFWSA-N	763.054	5.807	50	40	KKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c1C	408966967	OJFBRRDTJHAWKS-JBFMKSPFSA-N	562.717	8.545	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408982044	FJDYOOGFIBRUJY-GRSHGNNSSA-N	570.827	6.843	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1cccc(C)c1	408985298	WJPFXAIPSLPVCI-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccs2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408999036	VWVLXDVEWHXNHM-MWYAZZEHSA-N	593.124	6.931	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	409006333	NFDCBXLKKHKGOX-JJZMTMCSSA-N	535.512	5.197	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409010913	GGBYINZNQQQXFF-NNLKUIAGSA-N	587.720	7.098	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409047093	MZIBRTJJHBSANZ-BPMDMVGGSA-N	510.259	6.611	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	409089838	KOCRFKXVPQFATM-LGJNPRDNSA-N	519.770	5.086	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409090794	QEWLOKBALBJSMT-RIYZIHGNSA-N	532.818	6.513	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1ccc(Br)cc1C(F)(F)F	409152999	KMDUJVXDYIIWIY-INRUPRTJSA-N	666.665	6.534	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c2)cc1OCC	409221731	AHBODNYPEQPCRB-UHFFFAOYSA-N	709.391	7.244	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409224598	KWBCOKOSIWNVGH-VCHYOVAHSA-N	543.929	6.239	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccc(C)cc1	409228038	ZJTOBISHQRYPGK-UHFFFAOYSA-N	575.543	6.258	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)cc1Br	409235170	BGFUTVAIBRNTRK-LDADJPATSA-N	504.222	5.432	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)c(C)c1	409258394	TWDXEUANHSVZOG-VCHYOVAHSA-N	528.823	6.827	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409259531	AGBCBKNCWXSQCF-KMUKQRDJSA-N	602.087	6.416	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409262447	DSBNQJJBUDYTEY-MTJSOVHGSA-N	548.437	5.946	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1	409266071	OJONCINPHSCLSF-NDENLUEZSA-N	611.436	5.488	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1Cl	409267426	URXBYFFKPOEBJA-FRKPEAEDSA-N	671.695	7.755	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)cc1Cl	409269650	LDMBEQCICHEHJJ-ODLFYWEKSA-N	538.829	6.283	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1OC	409317793	VTXJOIIKKCCDAU-WKIKZPBSSA-N	533.806	5.471	50	40	KKGB	
C#CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1	409331519	DLGQJXKCVNIZPP-MBTHVWNTSA-N	572.253	5.575	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl	409360111	KWUVTAXLNVZLRD-MBTHVWNTSA-N	562.835	5.924	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OCc1ccc(Br)cc1	409360845	NQHYPCUCYUBRPX-MBTHVWNTSA-N	607.286	6.033	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(I)c1OCc1ccc(Cl)cc1	409362177	GCGPXWDMWDXHNC-MWLSYYOVSA-N	576.862	6.178	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409371367	CEYCQLGQDXSTLR-ODLFYWEKSA-N	533.382	6.584	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409384324	BCOIMHUVVHOZLG-NSKAYECMSA-N	595.313	5.727	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4cccc(F)c4)c(OC)c3)[nH]c2c1	409391271	ISJBZTYPRIOHBU-IUXPMGMMSA-N	555.347	5.967	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396486	SRFTUBZKPNGWOW-UHFFFAOYSA-N	652.534	8.685	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397445	JYPHQZHDZNINPG-UHFFFAOYSA-N	677.926	7.783	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409398601	UUFYZQYUAVXQOB-UHFFFAOYSA-N	546.627	6.283	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)N1CCOCC1	409403096	LVSVNVKYXZWQTK-VHFSBPNMSA-N	758.464	6.191	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)/C=C/c1ccccc1	409406314	BNNMZWLVUHZHHY-XGLLETIQSA-N	603.675	7.048	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(OC)c1	1529547971	TVTXCNALUCTOBI-DMFIQNIRSA-N	685.572	5.061	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	3232323	OYWSSIUAHSXVSG-WJDWOHSUSA-N	549.730	6.886	50	40	KKGB	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(F)cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6089767	VWDTXEBNSJBNJV-FSIWAFGDSA-N	544.004	7.079	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1OC	8384175	MSJIWXJGIRIFQG-WCMJOSRZSA-N	582.000	5.278	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(C(C)C)cc2)N1	9057619	KAJQCVABNXCZDV-LJAQVGFWSA-N	522.674	6.517	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1cccc(Cl)c1Cl	10118546	WRYSORQKVPTWDD-BHGWPJFGSA-N	512.178	5.769	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	59646552	QITNSESVMFAUGJ-QNKGDIEWSA-N	575.090	5.713	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	59887997	AGFFNMINSBZTSC-KBVAKVRCSA-N	568.017	5.883	50	40	KKGB	
O=[P@@]1(N(CCNc2ccccc2)c2ccccc2)C(CCCl)=CN(c2ccccc2)N=C1c1ccccc1	97951460	ZVQHGVHFZQKKRZ-LHEWISCISA-N	541.035	8.236	50	40	KKGB	
Cc1cccn2c(=O)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccc(Cl)cc3)c(Nc3ccc(SC(F)F)cc3)nc12	97984062	MIZRPEFDJZXPQQ-AABVJFSESA-N	714.132	6.188	50	40	KKGB	
Cc1nn(CCC#N)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2	97984139	XIBPLWSKASJMOA-VYXOGCKXSA-N	575.613	6.852	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CCC3)cc1	98006210	RIQZWMFGTPESCM-HSZRJFAPSA-N	583.661	6.553	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2nc3ccccc3s2)N1	98048658	VWNAQNQIUAZPJJ-DEOSSOPVSA-N	596.521	6.903	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	98048689	KMTSTZOIWVFHGT-GDLZYMKVSA-N	554.672	5.800	50	40	KKGB	
N#CCS/C(SCC(=O)c1ccc(Br)cc1)=C(/C#N)C(=O)c1ccc(Br)cc1	100055099	BAZLQXBGNSFEER-LVZFUZTISA-N	536.270	6.002	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1	100117737	ZTBJHNTVQFUCID-STBIYBPSSA-N	531.410	5.738	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1	100130022	ITRPGFADGSEUDH-MZFJOGFUSA-N	627.992	5.894	50	40	KKGB	
Cc1cc(Cn2ccc(C(F)(F)F)n2)c(C)c([C@@H]2C(C#N)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CCC3)c1	100250942	SRGQFYCBOQHXKS-HHHXNRCGSA-N	566.027	6.834	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccccc2)cc1	100350254	LZYUCGBSFJCLRB-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1	100844389	WAQBPGBWNSKOBM-GIBOGKFOSA-N	531.685	6.851	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc([N+](=O)[O-])c1O	100940053	HBVUIWJHFJDLBA-PQMHYQBVSA-N	526.324	5.366	50	40	KKGB	
O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc2c(c1)C(=O)N(c1ccc(/N=N\c3ccccc3)cc1)C2=O	102651719	GDMKBGZBHZWAHN-DTTHWBISSA-N	608.566	7.258	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)c(C)c1	102865108	HXSPJQISIDSEKR-HKBQPEDESA-N	549.696	7.524	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl	102932838	RKFOOUBLTXHIIG-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OCC	102935060	GNNLARTYHKBLDT-NTUHNPAUSA-N	541.729	5.196	50	40	KKGB	
C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2cc(Br)ccc21	104881562	SUSSYYIKALTCMY-AUUUKSDWSA-N	525.472	5.090	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(Br)c1OCc1ccc(Cl)cc1	108088953	PZSFNLNMHXICQX-ZMFRSBBQSA-N	503.780	5.550	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc1Br	109716359	UBUJOADJSLYNFM-VIZOYTHASA-N	578.282	5.913	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1C1N(Cc2ccc(N(CCCl)CCCl)cc2)CCCN1Cc1ccc(N(CCCl)CCCl)cc1	150370354	JCCHIRHFMWYMKJ-UHFFFAOYSA-N	776.552	9.254	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1F	150372412	WEHSUAYRANLAKQ-LPEPFOFCSA-N	637.904	5.859	50	40	KKGB	
O=C(N/N=C/[C@H]1C[C@H]2C[C@H]1[C@@](F)(C(F)(F)F)C2(F)F)c1ccc(Oc2ccc(C(=O)N/N=C/[C@@H]3C[C@H]4C[C@H]3[C@@](F)(C(F)(F)F)C4(F)F)cc2)cc1	150391497	UPUXRHBPMMZVJF-VOMOYRPPSA-N	742.561	8.034	50	40	KKGB	
O=C(CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O)NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1	150452697	YZJQLMRPQXZBEU-UHFFFAOYSA-N	683.716	5.584	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(I)cc1	198317625	BAVZLRFGOXGFBN-WKULSOCRSA-N	635.833	5.699	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408544760	XEAXLZXRGODCIJ-ODLFYWEKSA-N	524.314	5.114	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)c(C#N)c1C	408546311	GIIARFYHIPKTIB-KEBDBYFISA-N	626.472	6.016	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550436	FBXOAVAFVVRNFP-CNCDYAKUSA-N	570.860	6.519	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)ccc1OCc1ccccc1	408555446	XNMMQRSLFZIHDI-HQDYHJHZSA-N	592.479	6.753	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408565986	CSNRTPFAOZZRCA-RZNTYIFUSA-N	551.630	8.068	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408726015	OMRIIKDPTGMTLQ-OBFVWLISSA-N	683.155	7.058	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c1	408743439	FVDBCMZMDNIMBP-IUXPMGMMSA-N	689.118	7.636	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1	408744790	HEPPBQYANQLBDK-ZDLGFXPLSA-N	501.797	7.170	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)NCc1ccccc1	408746930	HXTJUDPFPYBVDD-JAIQZWGSSA-N	512.322	5.233	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC#N)c(Br)c2)c1	408747123	ZTUKZMAAKGDTOC-ZSOIEALJSA-N	505.166	5.058	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1	408756815	UGDNYDCRQDHDSV-UNOMPAQXSA-N	511.803	6.626	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccc2ccccc2c1	408780070	RHDPDWWJTDVSLZ-UUYOSTAYSA-N	540.401	5.854	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408788922	GMBWCKWCCMWQSS-CXUHLZMHSA-N	719.542	7.436	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408789323	JAYZXGDZCIFLNA-KEBDBYFISA-N	542.249	8.578	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccccc1F	408790038	MMTAIWJYTZFTLQ-VXLYETTFSA-N	543.820	7.073	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(I)cc1	408795760	WDFHQXLMAMDKAJ-RGVLZGJSSA-N	664.281	6.646	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Br)cc1	408798865	JDZLCQPZDZJRKC-SYVPYPDPSA-N	505.412	6.211	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408830957	OYUHZJYSXQAWJO-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)cc2)S(C)(=O)=O)cc1C	408837832	OLQWIDNJQPXJFZ-BIZUNTBRSA-N	586.670	5.521	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1ccco1	408841673	GOJIXEFPNDTTSG-KPGMTVGESA-N	633.038	6.690	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408845826	RWQSUJDSLIHGGT-ODQASSKESA-N	652.003	9.174	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408848915	XEZVIWJTHCRCHR-LUOAPIJWSA-N	563.260	6.692	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408855318	LTNMDSKWCKOBHC-OPVMPGTRSA-N	623.548	6.901	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1ccc(F)cc1	408872376	MCKLGYOURILNLT-SRZZPIQSSA-N	569.427	5.806	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccc(C)cc1	408878313	ADXNSGBCJXVMRX-LGJNPRDNSA-N	532.232	5.872	50	40	KKGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408883667	UILQPUDKNBUZHO-VIZOYTHASA-N	500.269	5.806	50	40	KKGB	
N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1ccc(I)cc1	408886617	KUVXSOKUCSGRIX-LICLKQGHSA-N	536.285	5.409	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408890485	UNDSEJAKYUMNHM-LZYBPNLTSA-N	590.803	6.727	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1	408914041	XFHAMGGGUQORIW-HNSNBQBZSA-N	685.356	6.418	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OCC)c2)c(OC)c1	408923719	KTLSMBLBHCFYEQ-XQTSXZJRSA-N	695.567	5.156	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	408943825	MGXCAVPQHYIBMG-IDWIKUEFSA-N	637.534	7.005	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)cc1Cl	408945076	WOWRPJJZSLEDPR-OCSSWDANSA-N	516.985	5.637	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2I)cc1	408983947	OUJNZMGFDWEXRE-GRSHGNNSSA-N	621.700	7.449	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccccc3Br)cc2I)cc1	408992829	CHWTUOWUWZITFT-KBKYJPHKSA-N	705.084	5.699	50	40	KKGB	
CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	409031869	BTKQGDRGWKADKK-KBVAKVRCSA-N	549.096	7.467	50	40	KKGB	
O=C(N/N=C/c1cc(I)cc(I)c1OCc1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409040246	SRDNDUXVGBJKSP-KVAAJVFYSA-N	743.770	8.107	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409066439	VNXADGHTEZQCKH-JEPNHJGPSA-N	620.666	5.077	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccccc1	409075562	WYMCHKVROFGUBX-HZHRSRAPSA-N	506.524	6.957	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl	409161351	UAJOWVLSFPWZIM-WXMAUWIXSA-N	663.139	6.178	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c3ccc4c(c3)OCO4)o2)c(Br)c1	409166923	GPBCCOCQJLFNEB-DSLAYPBOSA-N	540.414	5.041	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	409230974	AJIBNICYSXNKAA-RRAHZORUSA-N	507.609	6.468	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCCCc1ccccc1	409249013	RXGVXZVLLPXMKI-ITYLOYPMSA-N	525.446	6.837	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1OCc1ccc(F)cc1	409252884	FIUYVYLPAJNGSL-IFBDVWKUSA-N	554.416	5.069	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)ccc1OCc1ccccc1	409254682	XZXNSUSODQIZQI-FZKWRIDDSA-N	572.061	6.408	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409257641	RMCSBNZNHIQQAP-LPYMAVHISA-N	518.013	6.227	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1	409258292	VXJNTOJNWJSWHC-ODQASSKESA-N	753.904	8.822	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	409259195	XCXMSNGINIUPFG-FZKWRIDDSA-N	572.061	6.408	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)cc1	409266814	LECLPDVLRMPVEC-ZMFRSBBQSA-N	545.231	5.301	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409268004	YPLITEDODJEFKE-FYJGNVAPSA-N	595.437	5.870	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(N)=O)c(Cl)c4)cc3)cs2)cc1	409272528	ZMUWLEHNMHTPIP-DBFSUHOCSA-N	520.014	5.144	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409309486	ICINXAAEGXBKNN-NHCUHLMSSA-N	568.866	5.155	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC	409313253	PCLVUPFLUKAWKP-MBTHVWNTSA-N	525.945	5.173	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OCC)c2)ccc1OC	409315995	WXGZOZXSCFZDKR-NTFVMDSBSA-N	527.415	5.598	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1OC	409318884	YMZLTEHBLICZRF-MBTHVWNTSA-N	576.285	6.352	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1Cl	409367532	DLKWDZAEYUJWHE-ZDLGFXPLSA-N	536.196	7.250	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1	409373863	VPVSSTCDFMVIGJ-AMVVHIIESA-N	605.259	7.103	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c(OC)c1	409384046	XULPQWZNPIMXHK-KKMKTNMSSA-N	721.127	6.018	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409385440	KEOTUCITAAWGOY-RPPGKUMJSA-N	528.359	6.054	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396277	JECKTZIPQCIRBZ-UHFFFAOYSA-N	596.083	7.441	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cccc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396444	QSKSSSWUDZBNHV-UHFFFAOYSA-N	640.136	7.976	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409396788	BDWRJGDVBNJUIU-UHFFFAOYSA-N	535.575	6.664	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409396814	BMYPVDVVEPVLJO-UHFFFAOYSA-N	572.577	5.817	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397530	KXWJPJZIFBRNMP-UHFFFAOYSA-N	610.508	7.596	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(Br)c3)o2)cc1	409402350	JVUBXIAOKDPLBO-BJUCDSOZSA-N	630.455	6.888	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)o2)cc1	409405265	SMOAMKNCCSKQOW-RODHXAHZSA-N	606.481	8.055	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409406478	WWAYONUBUZDGJM-ADJDCTSUSA-N	697.413	8.687	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409409487	PNFGGODIUPDLAW-FZKWRIDDSA-N	592.608	6.466	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409409669	PVWBSDJKBGUMRF-AEUUOICLSA-N	643.052	6.819	50	40	KKGB	
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=NCc4ccccc4)nc3O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	604941216	SQCBFSLVPBCLFB-BAYOHDFESA-N	749.981	7.364	50	40	KKGB	
CC1(C)c2cccc([C@@H](N[S@](=O)C(C)(C)C)c3cccc4ccccc34)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21	1857794984	CYZPTSBGUJWVQC-TZGPWIOESA-N	653.828	9.171	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CC(C)(C)C3)cc1O	1065016	WKVNXQWJESOJLP-QFIPXVFZSA-N	512.379	5.243	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)nnc2-c2ccc(Cl)cc2)cc1	1873991	NFGBHSLPEKBFQZ-FMFFXOCNSA-N	568.102	6.896	50	40	KKGB	
CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	2054092	DHCQBLBAHFYIQF-NVNXYZKKSA-N	578.532	6.076	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(I)c(O)c1	2156213	WUSNEHYNSLVYBQ-LSFURLLWSA-N	577.625	5.921	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c1Br	2176448	QLRPYBCWHLZODC-HCBMXOAHSA-N	597.529	6.294	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)ccc3F)n2C2CCCCC2)cc1	2215442	XZUSFEADCDQKQZ-MZJWZYIUSA-N	530.467	5.903	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	3217449	XOJSILONSCYVJU-MZJWZYIUSA-N	516.539	5.221	50	40	KKGB	
N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)s1	3664875	GHUWWKYYXATYCB-OAQYLSRUSA-N	525.497	6.017	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br	4017835	LXJOXRKZKGGSQU-ZNLRHDTNSA-N	656.007	6.706	50	40	KKGB	
COc1c(Br)cc(C(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1Br	4062601	LQVCBZAHGGDPPN-VFLNYLIXSA-N	566.253	5.859	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1cccc3ccccc13)N2	6074188	HATBGVIBXSBWJO-CYFGIKAMSA-N	529.061	7.989	50	40	KKGB	
Cc1ccc([C@H](NC(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1	8453183	HSSLCFFZTLRYSN-WJOKGBTCSA-N	599.668	8.117	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1	9234886	WGYNMAZLWQKLAN-OGLMXYFKSA-N	512.079	6.135	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1	9909836	AVKGUZIRZNYDDY-IVYNLYIOSA-N	512.393	6.197	50	40	KKGB	
CCOc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(C)cc4)N(c4ccc(OCC)cc4)CN3C2)cc1	12250568	GTLWJFLICZFHRW-LJAQVGFWSA-N	512.679	6.517	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	28216965	KDGOQWLZIZJQBV-WCMJOSRZSA-N	522.501	7.598	50	40	KKGB	
O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Br	97961781	POKOIKRUFNZWIJ-ZKDDGRGJSA-N	518.161	5.187	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	100047216	UXJMXOAEECDOFO-MLGUNKCSSA-N	612.436	5.318	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1OC	100852542	GDQLQEOPCCGGJB-MNBJERMJSA-N	562.717	5.284	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@@H]1c1cccs1	102809889	PFYVHPWZPIFZRT-WJOKGBTCSA-N	592.746	7.189	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc(C)c1	103883662	GOEBHGKUWRBCFY-JLPGSUDCSA-N	546.465	5.601	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\CCC/N=C\c1ccc(N(CCCl)CCCl)cc1C	104057265	JKVLHFIOZSGDCC-DBNHBIGRSA-N	558.425	6.800	50	40	KKGB	
COc1ccc(/N=N/C(=N/NC(=O)c2cc(Br)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2OC)cc1	104316851	ABCAFUPWMLRGJX-RZRWSKPRSA-N	604.465	5.681	50	40	KKGB	
C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104699151	ZURXRDMBMVJHJE-MOQPFRFHSA-N	580.979	7.703	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)cc(Cl)c2O)c(C(=O)OCC)c1C	108902600	WMUTUYJPDZVCJL-AWNIVKPZSA-N	540.819	5.250	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795275	IAPGYSNDNDIXDV-WDSKDSINSA-N	774.006	9.090	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br	209657311	ZZOGGFULLWSPCT-ZSOIEALJSA-N	547.272	6.134	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540068	MNTRUAFBALQHAV-CVKSISIWSA-N	649.379	8.841	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2I)cc1	408551156	LPDSSJZOPKBCMN-UDWIEESQSA-N	579.463	6.536	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551872	GRHFBLZGZNAJGI-CHHVJCJISA-N	565.240	6.872	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1Cl	408552564	JVWGPMBMQDUSER-LFIBNONCSA-N	500.769	6.210	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1	408566921	JDTUQRIVFUAEQC-ZMFRSBBQSA-N	579.778	5.594	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408641286	JVPSGCAGFXNTCV-KIHHCIJBSA-N	816.124	7.137	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1ccc(N2CCCC2)cc1	408678405	YNFXLKFAHMOCPT-AMVVHIIESA-N	537.274	7.243	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1)Nc1ccc(Oc2ccccc2)cc1	408691270	ZDDMRXPWHPSQAH-VZJUQIMDSA-N	579.436	5.245	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)Cn1cnc2ccccc21	408691493	APXQVXKZAQSFSJ-GRSHGNNSSA-N	617.228	6.432	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408711886	OZGAFSUIGHRXGB-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408743852	CASUYDOACNLNBO-APSNUPSMSA-N	501.753	6.500	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1	408744567	MCDIDVPAYREZLE-MFOYZWKCSA-N	536.242	7.824	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(Cl)cc1Cl	408746123	XKSCJRZWZUHQQH-NVMNQCDNSA-N	546.248	7.198	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408760043	QMOCWDDELLGZGR-NTEUORMPSA-N	627.256	5.986	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408760891	APDLWBOPILTWDE-ZHZULCJRSA-N	672.401	7.964	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1	408774084	OIGMQPPNPDKFIZ-ZXVVBBHZSA-N	528.472	5.056	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(C(=O)O)cc1	408790685	XQJFRDIAEFOBQG-WSDLNYQXSA-N	549.421	6.288	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(O)cc1	408792848	CQDCEQOBPMRKSI-CXUHLZMHSA-N	562.645	6.695	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1cccc(Cl)c1	408799292	KDRQCRGAIFFYOK-RQZCQDPDSA-N	623.672	6.840	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccccc1F	408806575	BIRYYQNPDHRBIC-WQRHYEAKSA-N	560.338	6.093	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408814895	GRTDWSZUQZQUGH-FTCYSYDXSA-N	641.143	8.006	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408839879	WWOCSAHRJCQGEP-CHSHITCJSA-N	633.173	9.020	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408861646	DXMSQNVYNMITIT-XKJRVUDJSA-N	582.347	7.035	50	40	KKGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	408864339	YTLMXEABEZWCJG-OKCVXOCRSA-N	592.501	5.060	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cc(C)cc(C)c2)cc1	408876387	OERPLDVJBULDSP-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408879656	DJTFDATYRJSAPR-QXUDOOCXSA-N	635.142	5.410	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408884922	ZCDKKSFYVNQFBS-LDADJPATSA-N	647.263	6.226	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408889033	AYLSIQVREZTKCN-SFQUDFHCSA-N	561.841	5.815	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(I)c1	408890532	VGHVYDAZGYIBGB-LICLKQGHSA-N	549.195	6.723	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Cl)cc1Cl	408891247	NKRHWPCUMXSGHW-LZYBPNLTSA-N	522.215	7.433	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408895471	MYZPTDBPIBOXFX-UDWIEESQSA-N	602.450	5.538	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2)cc1	408908172	UOLKLVGOQSJCQH-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408948762	GKUPOJXMBGWFOG-JMIUGGIZSA-N	691.282	6.361	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)OCC)cc3)c(I)c2)c(OC)c1	408958381	YGOPXNGSRCBPOH-LDKHFMKXSA-N	896.473	5.380	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(F)cc1	408965641	WSTRTOLPRKSJJM-VVEOGCPPSA-N	539.323	6.349	50	40	KKGB	
COc1cccc(OCCOc2ccc(Cl)cc2/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)c1	408972450	UBAWEKOMTOXGLP-XSFVSMFZSA-N	533.009	5.974	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1	408974010	ULPZNMLKEKLHCH-IOUPCVQUSA-N	501.652	5.302	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408982667	YNZKRTZJYGTPHY-DVAMMYLFSA-N	755.391	6.035	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	408982939	IZODNEKEJUXSTB-SXGWCWSVSA-N	522.770	5.762	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(C(=O)O)cc1	408983629	MXXWKALMHIJHSA-VXLYETTFSA-N	555.812	6.242	50	40	KKGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	409006582	PPZLPMPKXJCYCO-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1OC	409007712	ZBGFQLWAHHSXIC-XODNFHPESA-N	570.882	5.005	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)c2C)ccc1I	409021523	LQTUBRGZJRUOST-RPPGKUMJSA-N	531.781	6.171	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	409024266	IXABIOWYUXSTJU-ATZGPIRCSA-N	645.952	6.010	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1	409028575	PFRYWLZIUUNBPM-LZOGPRKMSA-N	639.561	5.595	50	40	KKGB	
CC(C)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	409045456	YOJKCDLEQSLRKJ-VGOFMYFVSA-N	512.629	6.445	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(F)cc1	409052228	GUAHKHDKMHUXCO-KKMKTNMSSA-N	505.771	5.902	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409069648	WPLHNIFHMWSEBG-LFIBNONCSA-N	594.814	5.267	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409084743	XLBWYTHWVWQVHU-LICLKQGHSA-N	545.901	7.312	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	409140845	SUEBGJIBEGKKFU-QFIPXVFZSA-N	565.194	6.101	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1cccc(Br)c1	409185029	PUSWWJXUHGQAOY-RDRPBHBLSA-N	558.542	5.223	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cccc(Br)c2)cc1	409186272	ZTJLGFSUZLGCOV-KPGMTVGESA-N	648.410	6.817	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(F)cc4)c(I)c3)cc2c1	409186500	CXDIISKFMZKHAF-DBFSUHOCSA-N	637.243	6.681	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	409220226	ZOXSVFRBXZDMQW-LFIBNONCSA-N	526.774	5.371	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409226574	UYYJVXRKVCBPJK-UHFFFAOYSA-N	542.389	5.685	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409229656	SMHSEDLYUNOHRU-XOASYVKCSA-N	511.578	6.085	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)NCCCc1ccccc1	409238289	MNWDMGRRQIDUKQ-HMAPJEAMSA-N	540.376	5.665	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)c(OCC(=O)Nc5ccccc5C)c(Cl)c4)cc3)cs2)cc1	409259553	APHIFHVWFWJHHR-RODHXAHZSA-N	644.584	8.259	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1	409264636	QLUPPOXVTNIOAV-QOHYIEPDSA-N	510.421	5.638	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409269138	FVWXZMIAAPNNHH-ODQASSKESA-N	725.452	8.413	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccc(Cl)cc5)cc4)cc3)cs2)cc1	409271119	JXVZBGNMRFYWSI-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OC	409302566	JJGCMWSKRFFQGB-RHANQZHGSA-N	603.491	5.261	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OCc1ccccc1Cl	409317042	NRBRCLVGFCFGJS-BKUYFWCQSA-N	551.811	7.750	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1cccc(F)c1	409321898	HSJAVUNLXKGZKA-APTWKGOFSA-N	528.580	6.155	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409364073	MZACKRIUCDVMEV-XAZZYMPDSA-N	695.726	6.844	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c1	409366863	ZQIITOLDTJYTAK-QDTIIGTASA-N	609.156	6.863	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409371824	POGBMVOIOLBEFN-SXGWCWSVSA-N	507.186	7.547	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(Br)c1OCc1cccc2ccccc12	409383827	JVNKWSPDJOTQKH-KBVAKVRCSA-N	563.448	6.361	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)c(O)c1	409392440	PLIFCWHKPXBROM-RPPGKUMJSA-N	566.779	5.010	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)[nH]c12	409395945	UIBCAXDBTJGJQO-UHFFFAOYSA-N	671.729	7.598	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409398097	QLJVSMZBVDNIJJ-UHFFFAOYSA-N	630.926	7.941	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409399081	XRUFXJOCLOBBMM-UHFFFAOYSA-N	596.481	7.288	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccccc1	409407771	HMNOCGPKDPARIK-GXBUFBABSA-N	563.610	6.258	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(I)c1	1529547637	NEQYPPXYCNAASA-LIICTPKDSA-N	763.452	5.518	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1	2338388	BGXQHMVBROQMEY-NDZAJKAJSA-N	528.682	5.340	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccs3)cs2)sc(C(=O)Nc2ccccc2)c1C	2415460	BDHHUBVZQJWQRT-SSZFMOIBSA-N	520.661	6.647	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1	3116280	ILZIMDCRVPFZNN-FJEPWZHXSA-N	584.239	6.416	50	40	KKGB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=CC(C#N)=CN12	8691475	BAHWTZLXOWHIGV-ZLNRFVROSA-N	515.407	5.244	50	40	KKGB	
COc1ccc(Oc2ccccc2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1	8762934	LCGFSPCYPRWKTC-KBVAKVRCSA-N	521.400	7.137	50	40	KKGB	
CC1(C)O[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CN1C(=O)CI	12660904	AHMCITDLGPUKFA-KTEOLQIHSA-N	525.471	5.287	50	40	KKGB	biogenic
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl	13921464	DVEGXUZQUHQDGV-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)nnc2-c2ccccc2)cc1	15978198	FZNSGYPYUUXMRG-UHFFFAOYSA-N	515.683	5.089	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cccc(C)c2)cc1	20059507	VDIFZVNVTHJVMP-TWKHWXDSSA-N	513.619	5.163	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccccc3C)c2C)cc1	20243637	WULWAKJHBKJXLI-LGJNPRDNSA-N	500.462	5.557	50	40	KKGB	
CC[n+]1c(/C=C/c2ccc(N(CCCl)CCCl)cc2)ccc2cc(NC(=O)/C=C/c3ccccc3)ccc21	73316845	YCEITDDMGDMFID-YBFXNURJSA-O	545.534	7.254	50	40	KKGB	
O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C1/C(=O)Nc2ccc(Br)cc21	97940124	FPYKCFGDNJPPGM-UHFFFAOYSA-N	563.455	6.601	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	97965816	RKVJUDMJLNPLCB-HMMYKYKNSA-N	534.594	5.208	50	40	KKGB	
Cc1c(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1	97981060	KIJQPFMYQGIMAQ-KGENOOAVSA-N	523.383	5.719	50	40	KKGB	
CSc1ccc([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)C3=C2C(=O)CC(C)(C)C3)cc1	98006071	ZYQZTIMLDDBDHI-HSZRJFAPSA-N	613.756	7.512	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(I)c1	100029907	JDJBRWDQZYOYJC-CVKSISIWSA-N	602.281	5.334	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	100127260	ILFCMOKFKKEPFC-OCSSWDANSA-N	539.032	5.232	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	100231637	YFWOQBGFDUWONH-GVJXDXLPSA-N	564.085	5.819	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	100232916	KTRAGWKRTLYOIE-ODLFYWEKSA-N	524.327	6.307	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240848	MKEXTDPPENLXAJ-STBIYBPSSA-N	544.073	5.119	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332109	HYJIUVDWABOTED-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1	102808898	NZASEWANWNJFIZ-NDEPHWFRSA-N	557.119	6.917	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccc([N+](=O)[O-])cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709421	JCKXKRDYTOGGDH-AWDVUOBXSA-N	572.687	6.212	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2ccccc2Cl)s1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	150438320	GTUIJKXGKYSFSD-OMBWOSJFSA-N	625.990	7.759	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	150464279	RAJXQUPWNGHCEW-ATZGPIRCSA-N	657.532	6.143	50	40	KKGB	
O=C(CCSCCC(=O)N/N=C/c1ccc(N(CCCl)CCCl)cc1)N/N=C\c1ccc(N(CCCl)CCCl)cc1	150487158	XBWAYOANFHZCOD-NRYMNODQSA-N	662.515	5.368	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2OC)ccc1OCc1ccccc1	408539357	VUXVEWRYXIURGB-QQXSKIMKSA-N	599.083	7.460	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(OCc3ccccc3)c(OC)c2)cc1	408540297	PSHBZNMAXQJXAB-IPHFVPNQSA-N	601.541	7.722	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408541494	ZSLJFCGQGXJSJT-AEUUOICLSA-N	564.560	6.645	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(C#N)c1C	408546014	CFQPBHHAQIQDCK-KEBDBYFISA-N	579.472	6.174	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551908	NKJXGOBZTVPWIP-ODQASSKESA-N	681.001	8.304	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1	408555064	VFVDDFLTEMPAFW-VCHYOVAHSA-N	559.247	5.997	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408641319	JWYURGSZOBKFRN-LWSSLDFYSA-N	754.215	6.856	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408641681	KYVAFIUSYDFCNO-YRXWBPOGSA-N	631.148	5.464	50	40	KKGB	
COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)c(C)c2)CC1=O	408643744	RLOACDFVFXUGFH-NSYSGPAISA-N	668.766	5.042	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(I)cc1	408711930	QZWZMWGWMFDSLR-BRJLIKDPSA-N	569.624	6.050	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408723619	YENVLIPBFSTGEJ-RPPGKUMJSA-N	646.650	5.657	50	40	KKGB	
C=CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)c(OC)c3)c2C)cc1	408747458	OFOJUDYVUZDEKB-CVKSISIWSA-N	529.378	5.036	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408752978	DTXFOXODTCRFRG-DHDCSXOGSA-N	641.283	6.376	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1Cl	408761006	BUXSEVRYMXDEFC-STZFKDTASA-N	507.815	6.956	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(I)cc1	408775552	IJGCQJQFGZRZED-BKUYFWCQSA-N	538.385	6.041	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1Cl	408788878	MSUISJJRVXYDSF-KOEQRZSOSA-N	525.004	7.052	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1C	408788934	NEILPNQEOAFSCO-AFUMVMLFSA-N	558.419	7.186	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(I)cc1	408790300	VMHYYYNRLJKBDJ-FYJGNVAPSA-N	538.385	6.041	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1	408791268	VKRBHGCFTMYEKG-XDHOZWIPSA-N	511.803	6.626	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2I)c1	408792015	GPFVRAYDRZADMC-XDHOZWIPSA-N	528.777	6.378	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408792830	CMEUVLPNGNTLPP-FYJGNVAPSA-N	549.377	5.449	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408807655	DRGPWICRWADMKM-XHLNEMQHSA-N	524.620	7.852	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2ccc(Cl)cc2Cl)c1	408812372	SKRTUAGRUIHRDY-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	408830796	SWIJJEQWSOADTG-ZCTHSVRISA-N	548.064	5.649	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC	408839504	TZOVYFNFPSYBPC-OKCVXOCRSA-N	626.520	7.028	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC	408840853	CHYXHHJOAGZPGJ-FABQOPTDSA-N	646.494	6.019	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)cs2)cc1	408842051	IDGLZZKLHXYHCT-MUFRIFMGSA-N	523.574	6.794	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccccc1F	408845149	PAIHFVLEJDJPOQ-IZYHBKOJSA-N	706.581	8.347	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408849460	YWGHUILOBVPLPH-HZTVMEOHSA-N	781.537	10.128	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc2ccccc2c1	408850415	NHUGZUGMYCGBRC-YSMPRRRNSA-N	580.482	6.937	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408854287	BOJWBSDKVOZSKD-WOJGMQOQSA-N	529.793	6.765	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2cc(C)ccc2C)cc1	408856925	IDYAPBJDSLXGMW-OXALXDSDSA-N	612.752	5.214	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1ccc(C)cc1	408874448	BSZGQOHVVRZQIU-FSJBWODESA-N	565.464	5.976	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1Cc1ccccc1Br	408874974	GTQPXYKKHPUCDL-LICLKQGHSA-N	589.227	5.904	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408880090	IYBJNAOQHSNXLM-WKULSOCRSA-N	582.377	6.994	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccc(F)cc1	408882058	PVBJOXQIAVOWSF-HMMYKYKNSA-N	501.355	6.866	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408882416	OZPXJMBCIMGJAB-LUOAPIJWSA-N	609.727	6.828	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408888047	SDTSWIQQPONLGN-YBFXNURJSA-N	566.364	5.579	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OCc1ccccc1Cl	408892501	BYDPUYHBZPZIOQ-XODNFHPESA-N	637.952	6.774	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccccc1Cl	408893050	FCPWDADOAPWAAJ-KVSWJAHQSA-N	603.671	6.993	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1cc(C)cc(C)c1	408893120	FSQMULQUNWCHOR-FSJBWODESA-N	519.439	6.816	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922165	DQLHDFYKWLLGAA-GZTJUZNOSA-N	560.415	5.274	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408922760	GKYUJUYRCASOKO-VCHYOVAHSA-N	590.699	7.307	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1	408925582	SEWLOUZPDWQRMY-OQKWZONESA-N	525.586	5.420	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(F)c1	408965501	HVVNKWQDDZBFPE-VYVUJPJFSA-N	600.069	6.872	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969768	UFBYCZGVPVGGSO-LUFOQCCLSA-N	637.358	5.808	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc2ccccc2c1	408981546	BQDMSUPNHJODSI-YDZHTSKRSA-N	517.412	7.588	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCC(=O)O)c(I)c1	408981925	DWUSDGRLXZJFNC-XGICHPGQSA-N	575.584	5.025	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	408984382	QHVNHFWJCUHCOF-MHWRWJLKSA-N	522.770	5.762	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408994137	GLCJEQDRHWUGDA-WCMJOSRZSA-N	505.977	5.995	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409003650	JENGWJAJCZBPKV-RHQFVSDJSA-N	796.311	5.646	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OCC	409009948	AOCKBPMRMQHYCS-OPEKNORGSA-N	601.622	5.628	50	40	KKGB	
CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	409012487	IJULZWSTGQNKIB-NBCFERAOSA-N	502.014	5.706	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409019757	KOGIRPPKWUPPMB-ZSNJKBEMSA-N	569.677	6.474	50	40	KKGB	
N#Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409032370	JDJYJANJJZUJHG-ALQBTCKLSA-N	516.988	6.770	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409072310	JQBMSCQLPSGBDV-LTGZKZEYSA-N	523.010	5.781	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1cc(Cl)ccc1Cl	409133863	UPUBTTJXUGOYJZ-MHDJOFBISA-N	631.513	5.657	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C#N)cc1	409145643	OTRXXCLHISWSMM-SRZZPIQSSA-N	502.368	5.762	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1ccc(C(=O)O)cc1	409186760	HOLOXOSLJALDKO-LJUMEUDFSA-N	528.561	5.610	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)NC1CCCC1	409193240	IBMWEDLYNOTTNB-MTJSOVHGSA-N	648.282	6.594	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)cc1	409222087	ASTPZLNEIYZDCF-UHFFFAOYSA-N	557.990	5.593	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409224733	MEMGHJCUWFQHJZ-VKRPGWMWSA-N	523.976	5.975	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl)Nc1ccccc1Cl	409265368	UMGMOLSQPYTDSX-NKHVPTTDSA-N	650.975	8.295	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)cc1	409270298	PACOBZQDPHDQIJ-PPDIBHTLSA-N	579.676	5.955	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)ccc1OCc1ccccc1	409323017	MCRCJYUOQKKDMU-APTWKGOFSA-N	554.599	5.714	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccccc1F	409379139	UTNRLWPXNOILSU-ODLFYWEKSA-N	552.400	5.777	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(I)cc1	409385599	LVISBAKTIDTJCU-MZJWZYIUSA-N	601.422	6.156	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409396474	YPULIRLUWLNBRH-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396523	VFHXPTDHQUROEU-UHFFFAOYSA-N	659.617	7.169	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397945	PRJAQJATNXPUFP-UHFFFAOYSA-N	694.869	6.993	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398218	RSWZXCCIDARDEH-UHFFFAOYSA-N	645.941	7.309	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4)c(Cl)c3)o2)cc1	409403136	LYCHLVPCVCUEAI-FZKWRIDDSA-N	554.046	7.262	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)OC(C)C)c(Cl)c3)o2)cc1	409405691	UOVWHCAALSSCQJ-UHIZKJEFSA-N	598.483	6.667	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2cccc(C)c2)cc1Br	1529545743	BCGIRSLEDKDOKJ-KJPNIZKVSA-N	681.609	5.230	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12	1529549473	ZXRRURDELCIQFO-FBZJHIGRSA-N	626.710	5.443	50	40	KKGB	
CC1(C)c2cccc([C@H](N[S@](=O)C(C)(C)C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21	1857795215	VNHMTXKQMCMSHT-LMZLFOTCSA-N	739.762	10.055	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c4ccccc4cc4ccccc34)n2-c2ccccc2)cc1OC	1821876	WZQZLUFBFLUMJW-QXUDOOCXSA-N	573.678	6.500	50	40	KKGB	
CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3sc(Nc4ccccc4)nc3Cl)cc2)cc1	2657778	MDPHNKXKWSHHEO-OCSSWDANSA-N	519.070	7.181	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1	3143635	QUWLISHSRIBEPI-WEZIBTLSSA-N	504.586	5.761	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(Br)cc2)P(=O)(c2ccccc2)c2ccccc2)cc1	3177637	MUWZDNWLKHKOKZ-AREMUKBSSA-N	540.419	5.749	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	4083529	FBXQLVCMUOTAAX-OCSSWDANSA-N	542.727	7.309	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c(Br)cc1OCc1ccc(Br)cc1	4196309	HQWABKCKBGDCIX-MHDJOFBISA-N	671.455	7.911	50	40	KKGB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2-c2ccccc2)cc1	6279986	OLOORCPETVAYLA-MYBYBSHWSA-N	586.695	7.738	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(OC)c1OC	8383249	FXNPZAPBAAQESB-DPNNOFEESA-N	632.467	5.710	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	8411646	SKUPWLBAXSFRPH-MHZLTWQESA-N	510.619	5.402	50	40	KKGB	
O=C(N/N=C/c1ccc2ccc3ccc(/C=N\NC(=O)/C(=C\c4ccccc4)NC(=O)c4ccccc4)nc3c2n1)/C(=C/c1ccccc1)NC(=O)c1ccccc1	8456291	OMXMYKQQAJTHGN-KCPDGVDUSA-N	762.830	6.625	50	40	KKGB	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1	27061507	CVAOJRARWABWFN-AQTBWJFISA-N	506.008	6.628	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(CSCc2ccccc2)cc1	59473282	UIHXZVOKVAXTRV-UXHLAJHPSA-N	511.603	6.371	50	40	KKGB	
COc1cccc(/N=N/C(=N/NC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)c1	73351369	GCBJAYRRJVMFFP-RZRWSKPRSA-N	544.015	5.872	50	40	KKGB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S	97945900	UCVUVHDSLKLSID-AXPXABNXSA-N	651.644	5.024	50	40	KKGB	
C/C(=N/NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)c1ccc(NC(=O)c2csc3ccccc23)cc1	97965875	KEAAUXWUUNGCLM-NVMPUMLXSA-N	588.755	5.712	50	40	KKGB	
C[C@H](NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1	100093198	NYKBCQNTPMOTKT-VHMIOTPXSA-N	613.523	5.305	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	100127048	DRXKROJOAPGWHM-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100239947	LXENQOBPIIXDRO-FMFFXOCNSA-N	572.731	5.764	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccccc1	100287756	JNGRGPORRYQGJL-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
N#C/C(C(=O)Nc1cccc2ccccc12)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	100847643	WBXKWOYQUXEBFR-MIGQBWSYSA-N	544.463	7.212	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccco1	102760652	ROMUXXUFNBEHMQ-SANMLTNESA-N	542.617	5.081	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	103885815	HORZPQKVNKQICY-ZDLGFXPLSA-N	608.217	5.623	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc(C)cc1)=N\NC(=O)c1cc(Br)ccc1O	104316797	WBDRSZNAFFEVLA-VGADOPFUSA-N	588.466	5.981	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3c(C)cc(C)cc3C)c(OC)c2)c(C#N)c1C	109094117	LFARUQOUVOJHFH-FSJBWODESA-N	542.657	6.337	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N\NC(=O)c5ccncc5)CC[C@@]43C)[C@@H]1CC/C2=N\NC(=O)c1ccncc1	118918536	LTANJFVUAIWDNA-UETJDUOISA-N	526.685	5.391	50	40	KKGB	
O=S(=O)(/N=C1\C(Br)=C(Br)/C(=N/S(=O)(=O)c2ccc(Cl)cc2)[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1	150403002	UVNNXZBWWIJGNO-IUIODHKPSA-N	772.944	6.495	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	150476465	UXSPZDVSJLSDLM-VTNSRFBWSA-N	643.505	5.835	50	40	KKGB	
Cc1c(C)c(C)c(CS/C(=N\[C@@H]2C[C@H]3C=C[C@@H]2C3)P(=O)(c2ccccc2)c2ccccc2)c(C)c1C	169809438	WIUABJLTNQUZQC-DWHCLUKVSA-N	513.687	7.797	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408530024	KTOACNNOUBKOEB-QFDQHJFZSA-N	758.114	6.818	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408534570	WCBWGJHBVHNBMV-XODNFHPESA-N	516.823	5.561	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2OC)ccc1OCc1ccccc1	408538781	QSJDEYXEZARNMY-LQKURTRISA-N	641.562	8.177	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccccc1C#N	408541317	FWQXSPVMRVAXRE-JJFYIABZSA-N	503.352	6.061	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1cccc(C)c1	408549428	SPOKYZJTKOROGP-MXAYSNPKSA-N	531.393	7.405	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408550077	BGGHTWHJHRTBHZ-VGOFMYFVSA-N	551.213	6.569	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408567502	FIQAXDLSEWHZKQ-OCSSWDANSA-N	559.669	6.335	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1cccc(F)c1	408578616	AEBIFDPJQRSDAC-CAOOACKPSA-N	521.213	7.937	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408604960	JHULYMRWGIKMBK-GOSISDBHSA-N	544.435	5.476	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)CC2=O)cc1	408604992	JLAGAKOONXNZAW-GOSISDBHSA-N	514.409	5.467	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408658094	UVFDDKFUCWRLLR-WFXMLNOXSA-N	554.257	5.836	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408682982	MCFCQWDLJXWHFA-VPZWPZHPSA-N	566.677	5.183	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408724927	FBJPBLNUZIMCCJ-JMIUGGIZSA-N	621.302	7.738	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(OCC)c2)cc1I	408740012	CMGHINMABHQYSH-OQLLNIDSSA-N	600.194	5.405	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)cc1	408743907	CIHXXHPTRQWHAE-JAIQZWGSSA-N	518.367	5.463	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408744413	FMUUUPGPPUZMOV-YVLHZVERSA-N	579.221	6.731	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc2ccccc2c1	408750696	QMMSRZQWDYNHQQ-PPOKSSTKSA-N	516.597	5.814	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408751269	YQWNEOSNEOHGCA-MNBJERMJSA-N	688.303	5.861	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(I)c1OCc1cccc2ccccc12	408766989	UQRBDHTVLXVRMN-HYARGMPZSA-N	653.314	7.730	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(F)cc1	408773855	MPEQOEYRCJYJOK-NDENLUEZSA-N	556.375	6.262	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1)S(=O)(=O)c1ccccc1	408776634	XUQLWWAOCPAVOU-QXUDOOCXSA-N	584.097	6.667	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc2ccccc12	408784872	VZTKFKHYNDXRFD-WMMMYUQOSA-N	513.641	6.403	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2I)c1	408787495	AXFGGXRPBLZJCI-LPYMAVHISA-N	522.386	6.341	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(I)c2)cc1	408789740	KSBIOOSFUNDQNK-RIYZIHGNSA-N	511.157	5.170	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(F)cc1	408791327	WBCJNFTVDRXJAW-VCHYOVAHSA-N	529.793	6.765	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc2ccccc2c1	408793270	DQZNHMWERZJIDR-CVKSISIWSA-N	602.472	7.585	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408794380	IYMWNQOKUQXRMG-VCHYOVAHSA-N	556.800	6.534	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408797527	SKBSSGMGRUOKPS-YDZHTSKRSA-N	710.322	7.666	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1cccc(Cl)c1	408799905	JFUDOLCCGYSQCC-KEBDBYFISA-N	572.830	6.695	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1	408804711	GVDIVZCXPZVMQG-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408814062	RCBQSZPBHWIQHP-KSIXQZGUSA-N	625.553	6.896	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1	408814077	RFZSSZIMTACFTG-JAIQZWGSSA-N	552.381	5.177	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408825679	DVPBACOUOTWDTR-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1cccc(C)c1	408839019	LRYJZAHINODKFG-IZYHBKOJSA-N	646.552	8.151	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408839727	VUVDUHCETCQBFW-KVAAJVFYSA-N	612.936	8.640	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408841352	IILORWRVNGYWSA-FADJLKOXSA-N	635.142	5.654	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccco2)cc1	408844703	PCCGPIGWXPYHFZ-WKULSOCRSA-N	611.246	6.040	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408850056	DWOCYVHZDSDEJS-FABQOPTDSA-N	628.350	7.120	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1)S(=O)(=O)c1ccc(C)cc1	408861227	AFFPYHOGKLTEHX-JGRMKTMXSA-N	568.699	5.545	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408861909	VMKKNYMYCFANHJ-LUOAPIJWSA-N	526.189	6.247	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1Cc1cc(C)cc(C)c1	408866140	DPKQFEMUWPXKQM-YDZHTSKRSA-N	503.440	6.910	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	408869394	CTPMXSVFSBJDET-XICOUIIWSA-N	581.669	6.212	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc21	408881585	NNMFGZQKBRXMNW-IPBVOBEMSA-N	576.462	5.024	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2OC)cc1	408889839	JSKOCXXJLNXHEU-WOJGMQOQSA-N	602.812	6.035	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1	408890468	UHCXKQLTSKFEFK-WOJGMQOQSA-N	625.388	6.179	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408892524	CDRQRZIZBWGPPP-LDADJPATSA-N	514.962	5.500	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1cc(C)cc(C)c1	408894990	KARGAPYAHVDOBL-CIAFOILYSA-N	570.402	6.571	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	408939030	ATTJKGHLNUVUHA-MHZLTWQESA-N	696.440	6.764	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	408950354	SCMDTGGQAKWOFB-MHZLTWQESA-N	689.991	5.706	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408976690	BSYUIQKJRKUFRR-WWUWQWKFSA-N	516.941	5.520	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1cc2cc(Br)cc(I)c2o1	409015533	NWMJSEWTPFYXQA-JJKQSNDFSA-N	694.150	8.603	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2ccccc2)nc2ccccc12	409033648	GAFCUAOPLJOMCE-DXJNIWACSA-N	502.530	6.153	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409036506	ROLYOGPYIXFNTQ-VTNSRFBWSA-N	584.057	7.458	50	40	KKGB	
CC[C@@H](C)n1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc23)c2cccc(C)c21	409048430	WNCUFYJODXYLGC-FVJUUWAKSA-N	523.080	8.170	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409050453	VUSLMGZXLQTOMM-LALXJTNGSA-N	619.552	8.959	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)c(C)c1	409065464	LYPOLEJSRMLHEF-CPNJWEJPSA-N	511.397	5.379	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409066400	OOXSYURNQKVFRD-XNTDXEJSSA-N	521.353	5.454	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409089078	LSJQETOPVVCTGM-RQZCQDPDSA-N	522.901	6.120	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409141586	JBOXIJDUQIGZRK-OAQYLSRUSA-N	573.197	5.623	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	409144684	ZVZPNDLUDGIVGB-BRJLIKDPSA-N	657.202	5.156	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1	409150154	AOBIUXUTVIYEKL-OGLMXYFKSA-N	524.415	5.296	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409217365	BSVZOXUHCZFROF-MHWRWJLKSA-N	530.795	6.219	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	409225175	PIYPYEBZCPQHSC-UHFFFAOYSA-N	522.517	5.139	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2I)cc1	409230943	AFBMFUGZFYZJFX-AIRTYWKNSA-N	648.282	6.568	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1ccc(C)cc1	409238253	WMKIXHSLMDHNCX-XYGWBWBKSA-N	533.466	6.391	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409253087	VTXVCTDTOHTRMV-QDTIIGTASA-N	589.284	5.618	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)c1	409256269	KPJLNMZHUSICQL-QDTIIGTASA-N	607.832	5.052	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409256624	MKFOEFIIVVFZMX-MUXKCCDJSA-N	569.412	5.154	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409269025	DANQQIPZFRIZEU-RQZCQDPDSA-N	592.799	6.993	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)cc1OC	409314517	RRFKWUNWYVSLAL-FDVSRXAVSA-N	590.312	6.660	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409327365	SPLNIMNEETWVFX-MNBJERMJSA-N	586.557	6.046	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)cc1	409372339	VSIKKPPNJDGWFK-GRSHGNNSSA-N	513.775	7.053	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccccc1F	409388358	UKCMVMCDQICESR-NDENLUEZSA-N	566.427	6.167	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(c1ccccc1)c1ccccc1	409391982	MGWBVLLVILOGAR-KYHGBAKBSA-N	706.749	7.410	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)[nH]c12	409394810	GDNJJYSVZQVYGP-UHFFFAOYSA-N	760.664	8.768	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)c1	409395418	NHVWXUUICZNTEM-UHFFFAOYSA-N	711.794	8.014	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)cc(OC)c1OC	409395993	UXWIAFLDDVZGOP-UHFFFAOYSA-N	791.880	9.175	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396302	KNCAXLLIAOPPGO-UHFFFAOYSA-N	609.610	6.290	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1OCC	409397639	MFBDIPZQOIGWQK-UHFFFAOYSA-N	565.601	6.755	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4C#N)c(I)c3)o2)cc1	409401191	GTUBDEWMUOTDQB-AEVGBRMKSA-N	796.403	7.690	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(Br)cc1	3139645	OAABCLWGYCIRIP-FDAWAROLSA-N	559.416	5.873	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC)Oc1ccc2ccccc2c1Br	3175254	YSEYGTQRCRMCHV-FOGHPNEFSA-N	534.248	6.071	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667564	DCKAHFGZEYMSHQ-HSZRJFAPSA-N	501.652	5.744	50	40	KKGB	
O=C(O)c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	6445820	XAXWAUYMIPGHTD-PWVUHJLOSA-N	559.869	7.094	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccc(Br)cc1	8811003	ISJQUYFWOGRGHU-JFLMPSFJSA-N	513.388	5.208	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1	20060783	YAJGVQKKQASTPS-LQKURTRISA-N	514.047	5.105	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1	20198107	WJZYQIYKJMAUHV-STBIYBPSSA-N	504.428	6.313	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1Cl	58951607	ARNIXNBWKIGNIJ-KBKYJPHKSA-N	517.763	5.183	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(C)cc1	59336440	RKAHNHLYOMCSPT-ODLFYWEKSA-N	515.824	7.479	50	40	KKGB	
COc1ccc(CCCc2nnc(SCC(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)o2)cc1C	97944918	WEQXKISQICEYOK-KYHGBAKBSA-N	595.121	6.045	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OC	97959465	XJKDASXFRVQXJW-OCSSWDANSA-N	534.454	5.345	50	40	KKGB	
CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccc(OC)c(COc2cccc(Cl)c2Cl)c1	97965828	SDRSXRBZBMKYJT-WJDWOHSUSA-N	531.417	6.365	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@H]1c1ccoc1	97985342	VXOFAERSFYSYQL-GDLZYMKVSA-N	550.640	6.148	50	40	KKGB	
Cc1c(C)c(C)c(CS/C(=N\[C@@H]2C[C@H]3C=C[C@H]2C3)P(=O)(c2ccccc2)c2ccccc2)c(C)c1C	100013713	WIUABJLTNQUZQC-QBAJLBPYSA-N	513.687	7.797	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100126175	GZODSLSHELNHFV-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1	100861407	XOFMFCFSFUMXHG-MBTHVWNTSA-N	530.868	6.527	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@H]([C@H]3ON=C(c4ccc(F)cc4)[C@H]23)[C@@H]1P(=O)(c1ccccc1)c1ccccc1	101023759	MWNYMQJXYBAJDE-NYDUCOTJSA-N	631.624	6.960	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(F)cccc3Cl)sc2c1	101394411	YGYXSXIVFRYBRX-NRFANRHFSA-N	525.388	7.093	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1	102934504	BWCPAPJQTZKTLY-XDHOZWIPSA-N	569.355	5.723	50	40	KKGB	
CC(C)=CC[PH](CC[PH](CC=C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	104211514	KYEGRVJUMYPNSX-UHFFFAOYSA-N	538.696	7.721	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CCCl)sc2c1[C@@]1(C)CC[C@H]3c4ccc(OC)cc4CC[C@H]3[C@H]1C2	108236040	LYQYBPJEQKARMN-DPWOPVHTSA-N	502.076	6.071	50	40	KKGB	
CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341709	KLBIOWSCAFTAAY-OAHLLOKOSA-N	806.370	12.526	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342232	WUMBUQFSFYIXRT-REOHCLBHSA-N	892.044	10.928	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	150440117	OOMRUSAUFGBLRO-KKMKTNMSSA-N	737.117	5.642	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164739476	LBWNNMTYASGREN-CHHVJCJISA-N	720.088	7.235	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)ccc1OCc1ccc(C(=O)O)cc1	209511382	BHEWHDQLQRUDEC-KVSWJAHQSA-N	602.235	6.008	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c(C)c1	216040794	XFTCTDRLHURLEO-QDTIIGTASA-N	564.705	6.754	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(C)cc3)cc2OC)ccc1OCc1ccccc1	408539045	DWFOZFTUBUVDIW-FZKWRIDDSA-N	603.513	7.087	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550959	IPLFZYDOPCQEMT-LDADJPATSA-N	510.377	5.955	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408583171	SDERWXQSWBVIGA-UDWIEESQSA-N	509.356	6.408	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc(Cl)c(Cl)c1	408588259	VIVYQVDYACZLKB-IUXPMGMMSA-N	538.066	8.162	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408640817	IWTRYORIKUQQCV-YSFYHYPLSA-N	692.744	5.314	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408643822	GMPYORBVDQEDQW-QVWZKCLOSA-N	549.813	5.177	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(Oc2ccccc2)cc1	408683333	HVXAGHUUXUTYOL-NGSHPTGOSA-N	567.425	5.389	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl	408727561	FLIPKJLYILVZEO-IPBVOBEMSA-N	566.235	5.765	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccc(Br)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408729129	XSMFAJFIFLYPRQ-JVWAILMASA-N	609.886	5.063	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1Br	408745458	SMKLWUDQYFRYAI-DHDCSXOGSA-N	552.219	5.098	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c1	408745493	MULKJJUMTMBNDQ-NVMNQCDNSA-N	556.800	6.534	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)ccc1I	408747830	UJXSRVWYQRNTSO-AMVVHIIESA-N	605.259	7.103	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408755946	WXENJERKZQYSGL-MFOYZWKCSA-N	587.224	6.253	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(I)c1OCc1ccccc1	408758551	MIIQQRINJZCCQY-MZJWZYIUSA-N	586.455	5.388	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	408786248	NAEDUBVUNIHCSQ-LQKURTRISA-N	554.388	5.204	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408790255	OLPIFUKDTWPOHY-PCLIKHOPSA-N	617.927	8.205	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1cccc(C)c1	408794415	JAMLEWYKNFPMAH-YDZHTSKRSA-N	566.439	6.740	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1C#N	408795489	LIYWTJXMLFEUAX-WSDLNYQXSA-N	563.395	5.995	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccccc1F	408798793	WYNJFZGCGWATEF-FYJGNVAPSA-N	570.402	6.516	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408804212	DFJNJOIIOFVOAR-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408807186	CICOOOCIOQLEAB-MFOYZWKCSA-N	611.238	7.260	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2c(C)ccc3ccccc23)ccc2ccccc12	408816445	YUSXZKBFSXJDKW-KOEQRZSOSA-N	517.028	8.388	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1C	408819445	QWEMVLRTORWJRJ-PLRJNAJWSA-N	548.712	7.395	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)c(OC)cc1Cl	408821579	JCDOGIQYPQBUHX-GIJQJNRQSA-N	604.828	6.095	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1cccc(C)c1	408822937	CVWWDIBJJFGNBO-JVWAILMASA-N	644.509	7.620	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408823562	DYYOPJUCWMUHHW-JJIBRWJFSA-N	512.968	7.183	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2ccc(C)c(C)c2)cc1	408825612	DIBRNZKIITYQSD-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1	408831106	POTVAYRJMFSKSA-WGOQTCKBSA-N	587.503	8.404	50	40	KKGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC	408835993	OZAQIGFCXZMWCQ-XDHOZWIPSA-N	541.829	6.634	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1	408840226	COYHESYVVIZERE-JJKQSNDFSA-N	607.427	7.079	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408842293	IUIOBEGKDYLMIY-FJEPWZHXSA-N	671.358	7.005	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408848975	XNBRFHJJULMLRK-CAQPMQTCSA-N	546.023	5.821	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1C#N	408850138	GPEOLNMWBPDSHL-MUXKCCDJSA-N	504.340	5.418	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCc1ccccc1	408851158	VRKUGKXORNIANP-WSDLNYQXSA-N	551.437	5.667	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2F)c(Br)c1)c1cc2cc(Br)ccc2o1	408852359	JWTWVTGXKSIAPP-PPDIBHTLSA-N	546.190	6.440	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)cc1	408852652	MLRCCVBCBGVUMX-ZXSNDDASSA-N	520.032	7.449	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c2cc(Cl)cc(Cl)c2)cc1	408862152	FSZNWVYLYWLTNI-RPPGKUMJSA-N	555.827	5.209	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1	408865305	ABKWEHNWNVHXQB-RGVLZGJSSA-N	536.382	6.053	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408879598	HBHLICXTBKTXFR-KVAAJVFYSA-N	560.601	7.331	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1Cc1cc(C)cc(C)c1	408880745	IKRSSWUAZNFUGK-UFFVCSGVSA-N	523.858	7.173	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(I)c1OCc1ccccc1Cl	408889376	FSXBIZOLFMEVED-LZYBPNLTSA-N	624.218	6.639	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408894055	INTHMAROFOHIND-GIDUJCDVSA-N	720.088	7.235	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)ccc1Br	408905588	ZOQMRVQGBJSBDU-MUXKCCDJSA-N	509.835	6.878	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc(C(F)(F)F)ccc1Cl	408923940	IINWJGNWQZFDGF-VVEOGCPPSA-N	574.408	5.508	50	40	KKGB	
O=C(O)c1cccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Cl)c1	408938413	HSYOTWGXZLINFV-PPDIBHTLSA-N	527.758	5.890	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408942058	FIBYNWHWANAHML-MHZLTWQESA-N	696.440	6.764	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(F)cc1	408947909	DNNSMYUKNLDEKX-XKZIYDEJSA-N	562.439	6.313	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)ccc1OCc1cccc(C(=O)O)c1	408948269	RACHPSATEOZDSC-HQDYHJHZSA-N	553.659	6.668	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2n1Cc1ccc(Br)cc1	408962812	VLHCTGDOLCYJLL-CCVNUDIWSA-N	531.366	6.179	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc2I)cc1	408989083	GWADFSMSTNBDQE-OXUBWTJQSA-N	799.979	6.168	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408995345	BLLXDFZFKPQDBL-IZYHBKOJSA-N	666.514	6.653	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409002013	LOOXNCDUFDOONI-CIJDEGAQSA-N	738.431	6.226	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C)c1ccccc1	409003010	QPPDZIXDKNWZMU-PVPASAESSA-N	558.420	5.026	50	40	KKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1c(Br)cc(Br)c2cccnc12	409017296	YIHVYZPRYWTTFA-MNDYBZJGSA-N	585.296	6.621	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409021563	NRINXKHWEPJSPM-BCHBDCPOSA-N	607.642	6.862	50	40	KKGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)cc2)S(C)(=O)=O)cc1	409026075	FMMKCHFSWSLXGO-BIZUNTBRSA-N	542.705	5.750	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	409027265	DIVMLRDBECWEDY-UZWMFBFFSA-N	557.672	5.313	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409044541	GVWJASGQEZQCNT-QLQYKETESA-N	542.038	8.051	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409049226	YJEHOVJCVFZLFS-MUFRIFMGSA-N	612.493	6.720	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(C)cc1	409052490	UDJRRTNQULOXEU-UVHMKAGCSA-N	501.808	6.071	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409052983	FWIUIVCMCPMYCS-MUFRIFMGSA-N	576.944	5.741	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)cc1	409072814	LEOMBTAFNNNRLM-YBFXNURJSA-N	600.263	6.433	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C2=C1CC(C)(C)CC2=O	409140179	FPIZXRJTMXZVBH-XMMPIXPASA-N	649.811	6.827	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c1C	409187163	MYDLWJGEAIVERD-NDENLUEZSA-N	540.255	6.953	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OCC)c3)c2)cc1OCC	409220234	ZRZMQVIRWBJQLU-UHFFFAOYSA-N	674.548	6.881	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc(OC)c1OC	409221678	ACGDVVZCHNATLE-UHFFFAOYSA-N	790.259	7.235	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc(C)cc3)cc2)cc1	409223109	GUXJZECWHBYFPA-CAQPMQTCSA-N	525.992	6.192	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)c2)c1	409226234	PZPOJHFJYJRIGL-UHFFFAOYSA-N	592.435	6.246	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409226528	UEVBXLJPMMVFKG-KYVFFXGQSA-N	557.990	5.967	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409248909	HVGGDGQBZCANJW-CXUHLZMHSA-N	655.798	6.535	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)ccc4OCC(=O)Nc4ccccc4)cc3)cs2)cc1	409256845	QGVFNXFIYWQHEK-HQDYHJHZSA-N	640.563	7.406	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409263076	GUJSKWHLOCSPCM-QDTIIGTASA-N	656.702	5.887	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)c(C)c1	409267434	UTVBIAQUTAOWPW-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)ccc1OCc1ccccc1	409303916	OWEIPSSABLZSLZ-KMUKQRDJSA-N	647.522	6.867	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409325326	XVJAMMACVLEXOU-MNDYBZJGSA-N	535.855	7.177	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1OC	409325680	ZOCJEKUBHAFYFN-FDVSRXAVSA-N	590.312	6.660	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	409333014	AKZFWLXBNZRXAP-GOJREDGKSA-N	579.685	8.196	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1OCC	409334807	NEPSOOMOOHEFPV-MIXAMLLLSA-N	652.507	5.409	50	40	KKGB	
Cc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1	409371909	JNSDVMJFVFAUQY-WKIKZPBSSA-N	569.308	5.406	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)cc2I)c1	409372194	CVTIISRLBBEURF-NDENLUEZSA-N	505.359	6.428	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)[nH]c2c1	409372228	CZDUOQZUXZSPNW-MFOYZWKCSA-N	568.225	6.948	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccccc1Cl	409395170	KPBVQBZRNWESNL-UHFFFAOYSA-N	777.638	8.601	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(C)=O	409395868	SQARNUOQHRTDNR-UHFFFAOYSA-N	739.804	7.930	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409396127	WONUUMCVQHFCEB-UHFFFAOYSA-N	552.974	6.688	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409397077	FYMDRWHAGIFRQI-UHFFFAOYSA-N	612.082	7.277	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409399309	ZHVCUDKBRRMFPA-UHFFFAOYSA-N	571.992	6.628	50	40	KKGB	
Cc1cccc(C)c1P(c1cccc2c1OC13Oc4c(cccc4P(c4c(C)cccc4C)c4c(C)cccc4C)C[C@@H]1CCC[C@H]3C2)c1c(C)cccc1C	953049709	UWBOAESZZFGBEN-BSPVRQSESA-N	772.950	10.353	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccccc1	1529548896	PHSMJKQBLNLWFW-HLRVFXRASA-N	716.452	5.676	50	40	KKGB	
CCCCCCCCCCCCC/C=C/C[C@@H](CO)NC(=O)[C@@]1(N)C=C2C=c3ccccc3=C2C=C1O[Si](C)(C)C(C)(C)C	1570003494	QQEAGYFPUNCDGK-WUWQRSFBSA-N	620.995	7.299	50	40	KKGB	
COc1ccc([C@@H](c2cc(OC)c(OC)cc2P(c2ccccc2)c2ccccc2)N(C)[S@](=O)C(C)(C)C)cc1	1857795246	XZIIIQZBOIATGK-GUFBGCBBSA-N	575.711	5.954	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(F)cc3)cc2)sc2c1CC[C@@H](C)C2	6167509	QCHLFPQGOZQWGV-IAQOLKQXSA-N	551.640	5.359	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(C)c3)=C(C#N)[C@@H]2c2ccco2)cc1	12250171	YJJDSDYHRAWZFC-HHHXNRCGSA-N	512.635	5.857	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1cccc(O)c1	19826278	LYUPUHILAIBHND-COEJQBHMSA-N	513.667	5.878	50	40	KKGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	59383273	VAOSQZQONCHSHZ-MUFRIFMGSA-N	519.464	6.565	50	40	KKGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	59383333	JDULQDIUVOUADB-LGJNPRDNSA-N	503.849	6.065	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2ccc(C)cc2)cc1	97939466	OYDUVMRXQLMRML-VYYCAZPPSA-N	537.001	5.055	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)c3c(C)nc4sccn34)o2)S(=O)(=O)c2ccc(C)cc2)cc1	97944390	CWTSUUAEIKFOLR-MWLSYYOVSA-N	561.689	5.069	50	40	KKGB	
CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccc(I)cc2)cc1	98001570	IHFPLCUVTYMOLR-KOEQRZSOSA-N	508.400	5.560	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C)N1	98048597	DEVRQXJLKRPNLB-SANMLTNESA-N	601.050	7.221	50	40	KKGB	
N#CC1=C(N)OC2=C([C@@H]1c1ccc(Br)cc1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12	100032468	JZKAFMLVJGKHPS-JOCHJYFZSA-N	538.398	5.115	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1C	100081328	MYOFXHSBNRLYMF-UZWMFBFFSA-N	542.705	5.872	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343442	WBCQZUMXWPFQSX-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F	100988944	GSISWMZOJFFKJP-XODNFHPESA-N	530.355	5.358	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(C(=O)O)cc1	101704636	OEXZDWUMTJNLKX-BKUYFWCQSA-N	537.399	6.553	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3cccc(C)c3)=C(C)N2)sc2c1CCCC2	102760685	HMTIBKRLAWIJAV-HHHXNRCGSA-N	616.765	6.412	50	40	KKGB	
Cc1cc(N/N=C\c2ccc(N(CCCl)CCCl)cc2)nc(N/N=C\c2ccc(N(CCCl)CCCl)cc2)n1	104385408	IKZNUVGTINPNJM-PCNBCNDESA-N	610.421	6.245	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CSc1ccc(N(CCCl)CCCl)cc1	118935383	PYDWODSWXGKSRQ-AVWBUSPOSA-N	562.647	7.780	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	150490468	WRSAUSCAEFOWSQ-KPGMTVGESA-N	644.537	5.972	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164736221	QNKDTCJLMBWGDZ-UUASQNMZSA-N	672.100	7.214	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(I)cc1	164746758	ANTOGSVLSFZSBM-YVLHZVERSA-N	672.144	7.884	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OCC)ccc1OCc1ccccc1	408538656	BDXYSYGCKJXMGS-OGLMXYFKSA-N	641.562	8.259	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408541116	XVESXFITXRXUHO-CAQPMQTCSA-N	515.009	6.579	50	40	KKGB	
O=C(O)c1ccc(Cn2cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)o1	408544371	VSRNXIVXUFDNBC-RAWMCFOBSA-N	506.312	5.253	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408552726	UYHQRHXXXQKLQQ-CAOOACKPSA-N	572.901	7.592	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408570564	WVHUYBFLYWOBIS-CVKSISIWSA-N	509.609	5.182	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br	408570621	XEZQAWZRAMDJQN-AMVVHIIESA-N	602.963	6.561	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1c(Cl)cccc1Cl	408606005	KVBVZJRWBHXRQG-GOSISDBHSA-N	528.436	5.694	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1C	408637322	IJYNPFAECXPRKE-LVXARBLLSA-N	540.443	6.526	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408650202	ZWBPXMRYMHEPGR-GYZWRVLVSA-N	645.175	5.852	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1	408681525	FMXFFTOJHRGUJV-DJDHSFSDSA-N	602.696	5.321	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c1	408710754	ZSEAOXHFOXUSMZ-KKMKTNMSSA-N	582.676	6.225	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1ccc(I)cc1	408711957	SHRZLEWBDKBOLH-LGJNPRDNSA-N	558.217	5.821	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	408718183	OUWCJPSBMWQLAN-KKMKTNMSSA-N	549.208	5.697	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccc(Br)cc1	408719076	IJPVBCRSZNAVMS-SEPVPZSASA-N	576.450	5.416	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)c2cccc(-n3c(C)nc4sc5c(c4c3=O)CCCC5)c2)cc1Br	408731958	NQJTTWXIKWIZRU-DBFSUHOCSA-N	630.362	5.932	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccccc1Br	408753076	LHCCTTQKKSHQQJ-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccc(Cl)cc1	408760736	FFTMHVXBNWGUMJ-HMAPJEAMSA-N	551.868	7.354	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1cccc(F)c1	408760889	APAFUBPBXZDVAO-IUXPMGMMSA-N	515.766	6.375	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408783490	PQVRIMFEAGTVHN-GRSHGNNSSA-N	560.275	7.452	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408792379	BCBDMWIVYDDPNW-LPYMAVHISA-N	529.390	6.441	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408827221	MKEGLGBAJGYTFG-STZFKDTASA-N	512.031	5.064	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccccc1	408832034	QXFCKKSQLSRTSK-YDZHTSKRSA-N	638.345	8.468	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408833859	VZLBEKNHGCKOPF-JEPNHJGPSA-N	680.621	6.398	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC	408836139	ZJOXUTPMRCUJFU-DEDYPNTBSA-N	600.840	6.643	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408836578	SRNJZWREEWOYGJ-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408842586	OTTIIFVXTQKFSZ-HAHDFKILSA-N	594.520	7.140	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)c1cccc(C)c1	408849434	YLQNPTWCZGBBRX-JEPNHJGPSA-N	611.651	5.655	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C)c1OCc1ccc(Cl)cc1Cl	408854282	BNMYWRNNKXLCFB-HCNMGLPWSA-N	554.352	6.809	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2cccc(Cl)c2C)cc1	408866404	FPJVXPSFYAPPGM-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1Br	408881510	NQQBQZJQRHDPNN-RGVLZGJSSA-N	617.281	6.804	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccc(Cl)cc1	408882353	NOHQSHMPCCGCNT-ODNPBWNPSA-N	644.050	8.464	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408886665	LEGYVYPGVZFWIT-MHWRWJLKSA-N	596.286	6.386	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(F)cc1	408905381	YDFHWVNIEYXPOX-PPDIBHTLSA-N	542.317	5.594	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1OCc1ccc(Cl)cc1Cl	408923501	IYTLPHYZZLLOCM-CXUHLZMHSA-N	532.767	6.688	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(Cl)c2)c(I)c1	408947760	OERTTXURAXVZIJ-HHHXNRCGSA-N	844.897	6.013	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408952617	KTJDHRPQQWOHLK-NAWMDJKCSA-N	754.849	6.717	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408953279	PMVGZYSXCWPJES-JAIQZWGSSA-N	613.737	7.191	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc2ncccc2c1	408966357	MBSUDZRYAXRSPF-MMFILIDRSA-N	585.711	8.531	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OC(C)C	408968719	BTPZWXOASNOXGI-PNJNQKBVSA-N	572.489	5.434	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408970320	FYSBUECOMKURLK-VOWJQMTESA-N	566.496	5.397	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1O	408972202	NHPSRBDMHWAOSJ-QHNAHFBRSA-N	579.278	5.107	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc2ccccc2c1	408981271	ACHZBWRHADEURH-FMCGGJTJSA-N	561.863	7.697	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C(\C#N)C(=O)Nc5cccc(Cl)c5C)cc4[N+](=O)[O-])sc3c2)cc1	408994484	ZLAXTSLATYLERE-HYARGMPZSA-N	640.146	8.424	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408999643	RRFYNHLXNPCTQX-DHDCSXOGSA-N	608.117	8.046	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409015405	RBDCDIFBHKGOTC-JBZNKQRISA-N	644.816	7.742	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409022305	MRFGIXVPDCQRNF-AQLQTECXSA-N	503.389	6.074	50	40	KKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)cc1	409030188	CJEOEPMRXKIZPJ-MZFJOGFUSA-N	502.574	5.860	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1Cc1ccccc1F	409040709	UGGDMCAJABEIJE-JEPNHJGPSA-N	512.588	7.116	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2F)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409043797	ZRDPEWCMUUGUPU-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Br)cc1	409047376	OLWYBNQGXALHLS-MZJWZYIUSA-N	638.256	5.632	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1	409065938	JKZVASYVUCNOEY-NTEUORMPSA-N	505.766	6.620	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1	409078050	HMQQIBSSMBTYPI-ZMFRSBBQSA-N	614.196	5.307	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C2=C1CC(C)(C)CC2=O	409134118	MSFBYYJMBZYLKB-SANMLTNESA-N	556.490	5.964	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccc(Cl)cc1	409134725	XIIVBMPBTCCXPR-FDAWAROLSA-N	548.064	5.336	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1	409138929	JZENDDQKEOCWOK-QFIPXVFZSA-N	529.818	5.895	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc(OCC)c1OCc1ccc(Br)cc1	409170848	XMAHOURWNHQVOF-HNSNBQBZSA-N	657.403	7.177	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	409174347	SPAMXCINASBGBN-RWPZCVJISA-N	534.366	5.862	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3c(Br)c(C)n(-c4ccc(Br)cc4)c3C)cc2c1	409187289	OLTHHLGJFZDIHW-WKIKZPBSSA-N	559.258	6.528	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(F)cc1	409191873	PHTIXQXHRHREGH-UVHMKAGCSA-N	552.771	5.825	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc(C(=O)O)c1	409216786	LMBVJNRKJMNIHH-JAIQZWGSSA-N	570.339	5.939	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409218513	JHFXGCDXTLWNJI-ZKFZKGQISA-N	692.320	6.755	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccccc3Cl)cc2)cc1	409226458	WKGCDSIWTURBTH-LJUMEUDFSA-N	556.962	5.792	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409252060	RTPWLRFUOAAXKN-GRSHGNNSSA-N	579.407	5.546	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409262002	GUWXSZOEEPTPDQ-NVNXTCNLSA-N	634.668	6.336	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OCC)c2)ccc1OCc1ccccc1	409337169	XBIQWKAOMZADGT-KMUKQRDJSA-N	668.503	7.150	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395345	MMDKXMPNIHQOQZ-UHFFFAOYSA-N	833.080	10.431	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409396036	VOZDQDNIUZKVLA-UHFFFAOYSA-N	748.686	9.920	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409398194	RQZJORXVCWVUBT-UHFFFAOYSA-N	630.926	7.941	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409406887	XWSPKUCRDVKNDO-NMQPEJGJSA-N	641.506	6.821	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2cccc(C)c2)c(OCC)c1	1529548282	BXABTMIHJLPMHI-XQTSXZJRSA-N	742.636	5.462	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	1529548933	QMCMYPGAXQTWDC-KVNFINCSSA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	1529549275	WXCXTMZFDNKGPB-JQJFYRLNSA-N	740.891	6.873	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)N=C3CCCC(O)=C32)cc(OC)c1OC	1278926	ILFZBQNQRURTCL-HSZRJFAPSA-N	574.486	6.660	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	2238079	AWVXENOGCYHOHQ-KKMKTNMSSA-N	517.825	5.588	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1	2670760	WTGQXSJOSICQTE-MHWRWJLKSA-N	514.821	7.500	50	40	KKGB	
Cc1cc(I)cc(C)c1OCC(=O)N/N=C/c1c2ccccc2cc2ccccc12	3139243	DKKVUDFMPINZCH-MZJWZYIUSA-N	508.359	5.744	50	40	KKGB	
Cc1cc(SCC(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)c2ccccc2n1	4091507	UOCBUVBZBCWPPM-VTNSRFBWSA-N	570.512	7.280	50	40	KKGB	
CC1=C/C(=N\NC(N)=O)[C@@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H](C)[C@H]1C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	4266927	NJXPVAVICLRJJI-VJTPZNMESA-N	545.765	5.847	50	40	KKGB	
Cc1cc(I)cc2c1N[C@@H](c1ccccc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6194069	PFITVAHMWKMAJH-PMJZGZFMSA-N	576.887	7.546	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)cc1	8429991	KLYNMBIBVAZPNW-MHZLTWQESA-N	510.619	5.402	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cccc(OC)c2OC)cc1	8457121	LODWWOCRQHVHPM-ALWIMONLSA-N	535.044	5.125	50	40	KKGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5)c(OC)c4)CC(=O)N3C2)cc1	9693538	AWGLNGKIQLXXSD-DEOSSOPVSA-N	513.619	5.502	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccc2c(c1)OCCO2	9871396	INRTUFYWKQWDNT-MWLSYYOVSA-N	502.368	5.590	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Cl)c3Cl)C3=C(CCCC3=O)N2)cc1C	13174116	NYUALWTYRHOQMW-QHCPKHFHSA-N	512.462	6.411	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc12	13552936	MNCUOSJLCNWEKE-XKZIYDEJSA-N	515.363	7.162	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2N)cc(Br)c1OCc1ccccc1Cl	32116981	UCGQDBFBHAEPGZ-WKIKZPBSSA-N	502.796	5.426	50	40	KKGB	
C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Br)cc1	34857103	SMUFDFKVBMAZQH-OYKKKHCWSA-N	506.809	5.057	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1	59224728	HBUAJOMLVFOSCL-QNGOZBTKSA-N	521.411	6.371	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)cc(Br)c1OC(=O)c1ccc(C)cc1	97962183	NRXZRHAHQAEPRU-MUXKCCDJSA-N	525.399	5.131	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12	97962941	UOPXKJKCNAPMAR-CLTSGFKCSA-N	534.656	7.009	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1	97964250	NPORUTIVCNQFJU-GPVZYABLSA-N	597.513	6.015	50	40	KKGB	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)cc1OC	97965049	NGXNHGAEWJZUDE-OGLMXYFKSA-N	560.675	8.049	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(n1cccc1)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2	98007422	JQNBCUMOQBEVRF-SANMLTNESA-N	531.534	6.875	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1	100062757	BFZYQZFVKPBNRC-ZMFRSBBQSA-N	581.102	6.246	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1	100835050	DETMHESIMMJZNO-MWLSYYOVSA-N	544.895	6.835	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	102808105	VRXYEQYMJLNWPV-HHHXNRCGSA-N	561.063	5.761	50	40	KKGB	
CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528401	JVYNVDPUUBBLBU-CYBMUJFWSA-N	578.288	9.205	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(I)cc1	103887750	UBPYYFXDJAHKKI-MOSHPQCFSA-N	524.358	5.733	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	103901851	UJHPSZXLVWQYKJ-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](OC)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	229866158	BKAIZLBGUQUUEI-GPLKPWAVSA-N	509.606	5.528	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12	238901044	KQIHYMLPAWUVKD-SCXNRCNLSA-N	503.605	7.054	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408534073	USFJBSZOABKBOW-QFDQHJFZSA-N	619.663	7.025	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OCC)c2)cc1	408537967	IQZRGOAGLVEZNZ-WPWMEQJKSA-N	613.110	7.850	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccccc2I)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542708	NNDWTGWZNWMVNZ-MNBJERMJSA-N	627.479	5.034	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408548683	LDKSLYDWGXHCGC-QRVIBDJDSA-N	515.363	7.162	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551488	DBAUBQRJSFTAFI-QDTIIGTASA-N	565.251	5.475	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc(Br)c1	408554737	UQFKXSYXCQCECI-WOJGMQOQSA-N	505.441	6.214	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)c1ccc(Br)cc1	408579390	GRJPLVGUSSHIQN-MHWRWJLKSA-N	598.110	6.806	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408581483	XEWYCOULACREIK-GIDUJCDVSA-N	513.635	8.605	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1OC	408582693	PBAKOIHXSHMKAQ-GIJQJNRQSA-N	547.218	7.011	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1Cl	408611977	SXAIFVIOKQKEEO-RPPGKUMJSA-N	521.198	5.424	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408676238	ANRNHRMCBKTPIR-JNYDFHNISA-N	601.122	5.329	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408725205	IKWXPUVWTABKAP-ODLFYWEKSA-N	522.355	5.799	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)cc1	408743568	GSXSLJCBRAXEFX-JWGURIENSA-N	567.558	6.647	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2I)cc1	408745178	PVPYCWAXGSKBLA-JAIQZWGSSA-N	634.255	6.637	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408746200	CEADKPXPWAVJED-OCKHKDLRSA-N	501.797	6.458	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1	408762674	QCTBSBKURGCIDE-PLFABGOGSA-N	543.689	5.571	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc(C(C)(C)C)c1O	408764063	IHMGJYMRDJDNKI-FABQOPTDSA-N	569.529	7.596	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12	408767384	WLHMSXRWNWRQQV-MUFRIFMGSA-N	595.393	6.094	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408789696	REXIMGFKELASOS-FRKPEAEDSA-N	575.188	6.384	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1	408790547	WXCIYBHEJFMXNK-XDHOZWIPSA-N	509.331	5.499	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408790817	ZDKGNQIIOOVERF-TURZUDJPSA-N	589.489	8.306	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OC(C)C	408803451	PBMPFHHQSPTCJR-LZYBPNLTSA-N	524.786	5.985	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)ccc3ccccc23)c(Br)c1	408819942	ZMWOFSUQPIXOQR-LPYMAVHISA-N	545.864	7.997	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c2ccc(C)cc2)cc1	408825788	ABBSKKLJRZSXFX-XZYGTATASA-N	701.039	6.743	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839174	OHKRPHMROISHJZ-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408855101	DIQLTZJJQREOQG-ULPWCQAASA-N	632.106	6.935	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408856276	JSIUKXBAYWDBQZ-RGXNXFOYSA-N	525.605	5.557	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(C)(=O)=O)cc1Cl	408863864	QPTCQBGVSSMHLY-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
N#C/C(=C\c1c(Cc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408869562	SDESXMYLNOFZAQ-SGWCAAJKSA-N	529.039	8.209	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)c(OC)c1	408874014	YOZIOAQOGGKJTD-KEBDBYFISA-N	527.404	5.822	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1Cc1ccccc1Br	408874589	CEPXCPZFAVGGFE-XDHOZWIPSA-N	525.830	6.646	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(Cl)c1	408878857	CRAAZVNUXQNVCC-GIJQJNRQSA-N	535.349	7.536	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	408879855	HLTOEJSPASKPEM-BHGWPJFGSA-N	588.421	5.910	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408883075	QJEPYSZXKJTZFY-PNQUVVCRSA-N	562.372	5.805	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408884224	XHFQAHHWVLBQMU-LICLKQGHSA-N	501.848	6.392	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2cc(Cl)cc(Cl)c2)cc1	408884278	UBUJPRNURRYGLU-KPGMTVGESA-N	648.410	6.817	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408887339	PTJDBUFCINHCHC-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)c2)cc1	408889855	JZILWEXBVIMFEU-LDADJPATSA-N	570.237	6.294	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	408891855	CWPPPGJFFBSNQD-RQZCQDPDSA-N	528.348	6.043	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OCc1c(Cl)cccc1Cl	408896429	RCWORXRLVRSUQU-OQLLNIDSSA-N	532.767	6.688	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccccc1Cl	408899100	ZAMWQXILPCHAMX-RQZCQDPDSA-N	669.595	8.069	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408946356	MJQWFQNAIRWARX-HHHXNRCGSA-N	879.342	6.667	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408965780	LWBICGVBKZDDDO-LUOAPIJWSA-N	546.736	6.239	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	408970042	ZEGFLFFLKGKXFD-HUTMKZKGSA-N	620.533	6.226	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCCOc1ccc([C@@H](C)CC)cc1	408971153	NAJAVKWHNZUOSM-UZMMJWQXSA-N	529.464	7.127	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408982074	XMOPHIJYHOREIZ-SXMPYHCESA-N	582.495	5.588	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408988160	CYUJNODLVZOHTL-FJNYQMJOSA-N	700.799	6.363	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl	408996992	KXDQAHQYJRCMJB-OLRVCAPHSA-N	637.317	7.391	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cc2cc(Br)cc(I)c2o1	409013938	OTIDHWWXVQRHKG-KVSWJAHQSA-N	643.235	6.475	50	40	KKGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409069989	BWFVJKOHPTUCIO-FOWTUZBSSA-N	506.889	5.672	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(C)c(C)c2)cc1	409185309	WQZDCDJCTIUQJQ-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCC(=O)Nc1ccccc1	409193301	IVDRPOMMBYXCCZ-MZJWZYIUSA-N	530.806	5.283	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)n1	409221200	MMWAMORTMZPBLN-CCVNUDIWSA-N	582.467	5.673	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1	409224328	KMJCWOOZVARJAY-CAQPMQTCSA-N	525.992	6.192	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(C)cc1	409232771	PRLQNHSPVCHBOJ-VFOSSOBBSA-N	552.412	5.972	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409254337	YWDLOVXZNKTOBL-IZYHBKOJSA-N	752.034	7.992	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409254931	JVGJZAKQMPROEN-YSYOEVFLSA-N	674.610	8.267	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409264566	LALSUEDIRFVMHL-GZOMZLSJSA-N	668.219	8.312	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)ccc1OCc1ccccc1	409269698	LVDXPWJVGXQMNA-FZKWRIDDSA-N	572.061	6.408	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5cccc(C)c5)c(Cl)c4)cc3)cs2)cc1	409270212	DFIFYFLDWHSGRK-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)cc1	409270474	PXYLHNOZWOEVET-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1cccc2ccccc12	409314654	GRRPMAGEEBAFJK-ICUTVXMZSA-N	560.650	7.169	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409319421	FYAKBBZICAWILS-MNBJERMJSA-N	581.046	5.468	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccccc1	409323365	NUTKFHCPADMFDS-BVMLUPFRSA-N	700.296	7.172	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)ccc1OC	409330790	BJPDWSVROXQHRZ-VYYCAZPPSA-N	626.323	5.459	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1OCC	409330823	BOCKWVQFWCUPGZ-QRQIAZFYSA-N	529.014	5.144	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OCC	409332595	KXOICDVBUWKOFH-LQNQUEJISA-N	511.018	6.187	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)Cc2ccc(Cl)cc2)c(C)c1	409371650	JCJMQMOPAMQCGN-LJUMEUDFSA-N	540.129	5.904	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccccc1C#N	409372681	GITRFWZEUJRMAL-WCMJOSRZSA-N	544.405	5.834	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409381205	SGIOMUZIBKWYKK-MHWRWJLKSA-N	517.866	6.061	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409381788	NJUXAVKZUCDKLR-WQRHYEAKSA-N	550.955	5.219	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386074	OHYGLFBPMYZBCV-BRJLIKDPSA-N	555.366	5.823	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Br)cc1	409392218	OCQJNXDYCHGGSK-RGXNXFOYSA-N	543.461	6.709	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409392818	SESGNKKAOJXHTG-ODLFYWEKSA-N	561.436	6.123	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395395	NDAKEDXTXHXSLL-UHFFFAOYSA-N	685.918	7.039	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc(Br)cc1	409395512	ONUJQGQSTAFORD-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)cc1	409395534	OVKGUPYXVLVTQS-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396481	SEASZZVHWAFUTF-UHFFFAOYSA-N	650.451	7.998	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)[nH]c12	409397348	IXUGFJDUJXJLDC-UHFFFAOYSA-N	531.612	6.697	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397779	NZFXWQMWBRGMIL-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397844	OOVCMOHQTFBYOG-UHFFFAOYSA-N	590.438	7.663	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)o2)cc1	409400426	DBBKPEOMTYZXFO-BOABNOFISA-N	647.175	8.670	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(I)c3)o2)cc1	409403461	NAOKJNKIRMIZFX-VHFSBPNMSA-N	706.512	6.791	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OC(C)C)ccc4ccccc34)o2)cc1	409404926	RJPLHJUEGBTURQ-APTWKGOFSA-N	521.617	6.970	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(OCC)c1	1529548168	AULLSINLBHZUSS-IZQZZFRNSA-N	854.505	5.759	50	40	KKGB	
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccnc2ccccc12	1857523976	CGKHYILLCFTGHO-QOEKYBDISA-N	581.700	6.361	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1	1817856	MSEKYFUMJAHTQL-DHRITJCHSA-N	501.012	5.067	50	40	KKGB	
Cc1cc(S(=O)(=O)c2cc(C)c(OC(=O)C(C)(C)CCl)c(C)c2)cc(C)c1OC(=O)C(C)(C)CCl	2153883	GDUMDBRIQLQAAT-UHFFFAOYSA-N	543.509	6.094	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CC[C@H](C)C2	2276513	WLIGUPMRTXETTH-AYYGCFCKSA-N	529.445	7.162	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1Cl	2358661	OTGCHKJUHHNDAK-GFPZRUSRSA-N	508.430	6.367	50	40	KKGB	
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1	2650621	DSMMCCDTEPZBKM-UHFFFAOYSA-N	542.642	5.147	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(Br)cc1	3660185	WNQSONPQGOPBGV-STBIYBPSSA-N	503.396	5.883	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196256	BRANDTCNEYAKSP-LZYBPNLTSA-N	566.666	7.543	50	40	KKGB	
CC1=C/C(=N\NC(N)=O)[C@@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H](C)[C@H]1C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	4266931	NJXPVAVICLRJJI-AUXHXEBASA-N	545.765	5.847	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Sc1nnc(CNc2ccccc2C)n1-c1ccccc1	8397407	MIVMNLALIYSONE-XSZJBBQGSA-N	579.524	5.590	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	8756504	RTHRFMVKHXMSQC-LQKURTRISA-N	501.366	5.287	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccccc2)N1	20347858	WVTZPIMLDBGUFF-HHHXNRCGSA-N	515.034	6.395	50	40	KKGB	
Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NNC(=S)N[C@@H](C)c4ccccc4)cc3N2)cc1C	36011659	MFMMVYFJDMMCDN-NBHGPNQESA-N	516.593	5.030	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	59435237	WBMPOILDXXLQPO-DHRITJCHSA-N	512.454	5.880	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1	98001724	ZAQFDLQCYOUVCP-LUOAPIJWSA-N	629.074	5.862	50	40	KKGB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21C(C#N)=C(N)N(c2nnc(SCc3ccccc3Cl)s2)C2=C1C(=O)CC(C)(C)C2	98006156	QOEIIPUXMPMBBG-LJAQVGFWSA-N	623.591	6.493	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100128827	WHXMSHNIXGEQKC-FJEPWZHXSA-N	556.475	5.142	50	40	KKGB	
C=C(C)Cn1c(CCn2c3ccccc3c3ccccc32)nnc1SCC(=O)N/N=C(/C)c1ccc(OCC)cc1	100686962	AVFZVFHDRFUAOA-SNCSUOKWSA-N	566.731	6.236	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccccc2)cc1	100858676	UXOBACXJNRPBCO-MZFJOGFUSA-N	598.526	6.518	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1	101273285	HJVZZKZPXPKGIA-QHCPKHFHSA-N	524.440	5.246	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1	102610263	QPSOPMFQNJCFJE-XMMPIXPASA-N	508.043	6.626	50	40	KKGB	
CCCCN1C(=O)/C(=N\NC(=O)CCCCCCCCC(=O)N/N=C2/C(=O)N(CCCC)c3ccccc32)c2ccccc21	102664155	NNDRYBQQJXJGIF-JJTCPOHDSA-N	600.764	5.442	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I	102934320	XTRKNZZOGIPYDE-OVCLIPMQSA-N	572.184	5.457	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	103577375	WWTPNACLBWADGV-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(F)cc1	103845155	YIVZLSVRJPAPRK-MTJSOVHGSA-N	548.412	5.923	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1	105049731	NFKGYJUGWKZARL-YBFXNURJSA-N	530.249	7.497	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCCCCCCCCC	150382812	GNAKLUQNTHYFEP-TXYVKJHCSA-N	849.015	14.387	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	150481214	UEDAHYJKOHVRBV-AABVJFSESA-N	741.075	5.360	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	162395227	AIDNUASYWWFRGQ-ALQBTCKLSA-N	651.141	5.029	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795476	URTMFKIJJSLCIU-OALUTQOASA-N	856.343	12.891	50	40	KKGB	
Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)c3ccoc3C)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)c3ccoc3C)c2c1O	222345536	NHFUJRPWKYVYDB-JMFPDMHVSA-N	762.816	8.088	50	40	KKGB	
S=c1sc2c(s1)S[C@@H]1[C@H](C[C@H](I)[C@@H]1I)S2	227219300	IDORSZWXNJCJBK-NEEWWZBLSA-N	516.279	5.485	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408539984	LIVBBFDXULSLPA-RHKOWXKBSA-N	574.677	7.559	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)[nH]c2cc1C	408542542	JNHNJWIDSVQZMO-CXUHLZMHSA-N	557.326	7.726	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c(C#N)c1C	408546358	IBDWJMBRAMZKIK-OVCLIPMQSA-N	508.939	5.435	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553435	WIADSKLNPRINHH-CXUHLZMHSA-N	654.263	6.699	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408607861	FICBZIZDBDRIJK-KVSWJAHQSA-N	504.801	5.931	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCc1ccc(Cl)cc1	408610122	MIUSGWRESZBKCT-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1	408637908	NWPRFOVBQVMOOA-QABMSTFYSA-N	572.032	7.062	50	40	KKGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(I)c(O)c(I)c1)OCc1ccccc1	408736532	CFGPTJOXMLNKBG-MXJZZWPJSA-N	708.294	5.071	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)c2-c2ccccc2)cc1	408743835	VPZCBIFUWOQZLX-SZXQPVLSSA-N	588.505	8.518	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)ccc1I	408746545	FBKUFNMRVBCOML-KBKYJPHKSA-N	644.647	5.967	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](C)Sc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751483	PKQSVDGLSQPOLW-CBYVEFHASA-N	532.109	7.196	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408778733	XTHPVGSAQADYIC-NHFJDJAPSA-N	528.472	5.110	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1	408787552	BTLAFEUXMQNGLH-VCHYOVAHSA-N	588.227	6.262	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(O)cc1	408788365	JRYZJNHOLQHXQZ-CXUHLZMHSA-N	565.194	6.428	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1	408790256	OLSBYCXAQKYCHI-VCHYOVAHSA-N	544.218	6.784	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1ccccc1Cl	408797246	QXFXLXPIUJOZQK-QGOAFFKASA-N	514.750	6.069	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408802264	YSRHKRULXGLIFR-HMMYKYKNSA-N	517.810	7.380	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(Br)cc1	408808813	GDTYZQWKHKTFNP-LICLKQGHSA-N	560.217	6.484	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408809165	QVEJQVQNGLHALM-ZFJBLLOBSA-N	631.308	6.816	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1	408812068	AZYFKNFWEJISPR-ODZASTSJSA-N	575.463	5.483	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408822067	BCFPJKSZQKCSPE-JJIBRWJFSA-N	584.426	7.061	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)c2ccc(C)cc2)cc1OC	408829441	LCQOREAAUOZKKY-JBASAIQMSA-N	537.682	5.068	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl	408831012	UIPLULCEYMCVFC-XKJRVUDJSA-N	561.413	5.336	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(I)cc1	408839892	WXBVUPOAZDYNSO-QNVXDBMFSA-N	729.427	8.817	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408840194	YIYJOPMDRKGGPS-XAZZYMPDSA-N	672.399	7.093	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1ccc(I)cc1	408840735	FHPGOFWPESUJQU-XAZZYMPDSA-N	636.437	6.782	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408857087	MSKQVJVLGLOGFM-RMORIDSASA-N	510.569	5.387	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408860788	FEDGQEFPVBBVHD-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1Cc1ccccc1Br	408865293	BXOWHKGEMGJSCQ-RQZCQDPDSA-N	607.673	6.852	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1Cc1ccccc1F	408869693	QKIQAKRMHWEXFC-VCHYOVAHSA-N	547.346	7.142	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408869786	RKHZDGUCQOTJKS-CHSHITCJSA-N	696.473	7.425	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1Cc1cc(C)cc(C)c1	408876258	KKIJQZAZMSJDBV-WSDLNYQXSA-N	536.413	6.362	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1OS(=O)(=O)c1ccc(C)cc1	408879957	GGKPAHGKLWTNTF-MHWRWJLKSA-N	562.387	5.532	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc2ccccc2c1	408886354	GJVULFKXNVMWBE-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1	408887495	OWUXJLBWMAAKTD-WOJGMQOQSA-N	538.354	5.499	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(F)cc1	408890711	XZLICLVTIUFHPT-LUOAPIJWSA-N	526.189	6.247	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OS(=O)(=O)c1ccccc1	408891658	UIGPXNLVPICBNQ-QXUDOOCXSA-N	706.643	6.841	50	40	KKGB	
CNc1c(I)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1I	408904752	ODOSHENOHXDTLW-WNFQYIGGSA-N	613.035	5.164	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(OC)cc1	408921613	BIRRMSFARWZAIP-NBVRZTHBSA-N	512.971	5.061	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408923797	KFTQGFAIXJUZNM-YZSQISJMSA-N	686.511	8.944	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)c(OC)c1	408958371	YDRGGUQSFVDXAH-IUXXIWHHSA-N	755.420	5.391	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12)c1ccc(Br)cc1	408958625	ZNPVSZHZMVEVHD-GADQNFKNSA-N	590.477	5.411	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc(C(F)(F)F)c1	408961423	CCRIEMSHFWGSDZ-VPUKRXIYSA-N	501.719	7.009	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OCC	408969203	JCLVUGFLXQHTHH-IIPRTONHSA-N	562.505	5.005	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	409001611	WSSVPEVHINKQGY-KCSSXMTESA-N	508.647	6.102	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409005451	ITTMLUIVCVOMBL-GOEQXXANSA-N	592.564	5.155	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)cc1	409023888	DXOGZADRZBBWPR-UZWMFBFFSA-N	542.705	5.619	50	40	KKGB	
CCOC(=O)c1ccc(COc2c(Br)cc(Cl)cc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409035733	QNTKYEOHKVVVHI-ODNPBWNPSA-N	642.937	7.837	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OS(=O)(=O)c1ccccc1	409072546	VWUKNVGHHCLNGQ-XDHOZWIPSA-N	541.423	5.388	50	40	KKGB	
Cc1[nH]nc2c1[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	409123495	CFMCHRYGJJONMX-IBGZPJMESA-N	506.187	5.585	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1	409151253	HDLYBPNPJVANPP-VVEOGCPPSA-N	650.299	5.164	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1	409153629	LXVUPDXNOVTRCA-VTNSRFBWSA-N	672.520	5.202	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl	409158041	XGITWTIGSVEVOL-AMVVHIIESA-N	557.434	5.115	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409193567	GSJDKGCWUPPLLQ-LUOAPIJWSA-N	589.644	6.603	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409229655	SMHSEDLYUNOHRU-UGHLTKRUSA-N	511.578	6.085	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccc(C)cc1	409239119	BZEHGBBKJHONTG-UVHMKAGCSA-N	543.487	5.384	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)cc1	409251640	ATTZRPZCVWJUBC-YBEGLDIGSA-N	619.697	6.437	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccccc3)cc2Br)cc1Cl	409252018	BDMXWAMPCJFVBU-PPDIBHTLSA-N	579.676	5.955	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409269166	GIOQHNBFNFYTGE-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccccc3C)c(OCC)c2)ccc1OCc1ccccc1	409270319	PFJXUDPKEJWPSK-QJOVZPHJSA-N	707.565	6.757	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)cc1	409270891	IMJHVNMKGMWMIF-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409271238	KWDGUVSLGFMGLF-UDWIEESQSA-N	534.410	5.638	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2F)ccc1OCc1ccccc1	409310970	CYPNFCCATVZJKS-KYHGBAKBSA-N	563.423	6.519	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)cc1OC	409312552	MELCGACIWCSXBS-DBFSUHOCSA-N	639.728	6.054	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Br	409320895	DDOXGJWZRAIBCJ-MWLSYYOVSA-N	588.296	6.518	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1ccccc1	409373844	VCGWWPOTWJXWTM-OCSSWDANSA-N	580.422	6.195	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)[nH]c2c1	409373991	JEHDYIOBHZMUND-MFOYZWKCSA-N	696.124	7.486	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)Sc1nc2ccccc2s1	409384071	ZFHWIUKWZNVGER-RQZCQDPDSA-N	603.317	7.965	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409394699	DUDZSQHPBYUNLG-UHFFFAOYSA-N	856.534	9.364	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(OC)ccc(Br)c2c1-c1ccccc1Cl	409395885	SVLZXOIDVALGNW-UHFFFAOYSA-N	746.239	8.667	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl	409396863	CCSKZVWPTOOXNW-UHFFFAOYSA-N	576.411	7.273	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397429	JVAKVBNSZBGAFK-UHFFFAOYSA-N	641.338	8.830	50	40	KKGB	
COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccc(C)cc1	409399497	JGWJDNJZHRDPSY-UHFFFAOYSA-N	606.679	6.365	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1cccc2ccccc12	409399891	ADWBUNPCDMMDMR-XFDYYPNTSA-N	678.583	8.533	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCc3ccccc3Cl)o2)cc1	409405638	UEOIZOOVYIULRM-HQDYHJHZSA-N	599.043	7.171	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)o2)cc1	409406414	WQBNHDGGYMSHGH-BOABNOFISA-N	647.175	8.670	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)o2)cc1Cl	409408718	LAPXGUMXDCMUEB-KYHGBAKBSA-N	528.008	7.252	50	40	KKGB	
CC(C)N(C(=O)c1c([C@H](N[S@](=O)C(C)(C)C)c2ccccc2)cccc1P(c1ccccc1)c1ccccc1)C(C)C	675082961	QCHFDSOJNHJXQT-VJKWZVKUSA-N	598.793	6.845	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	1529548080	XEQNWYZUAVDQKO-MKEMXLLOSA-N	645.540	5.597	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1	1782690	QSICSTVCRXGVRM-FMFFXOCNSA-N	557.488	6.883	50	40	KKGB	
COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc(OC)c1OC	1828393	VIKWNOHBXANLOS-HAVVHWLPSA-N	588.129	7.895	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)n2-c2ccc(Cl)cc2)cc1	1901102	DGOLORQISURLJM-BIZUNTBRSA-N	554.075	6.931	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	2188795	PEIDLAIKXUIJFD-HSZRJFAPSA-N	519.642	5.884	50	40	KKGB	
CCCCCCCCCCCCOc1ccc(/C=N/NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1	8453657	RZLBYDNPHJQKMP-AYCUJKSCSA-N	556.835	9.283	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12	8812960	YZRGGIFXEOZKIV-CCVNUDIWSA-N	510.819	6.186	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O	16735497	QODBWWQCFQRWRC-SAPNQHFASA-N	501.340	5.103	50	40	KKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccc4ccccc4c3)c3ccccc32)cc1	46085204	HWDCOUWSJSXHLU-BVNFUTIRSA-N	521.617	5.462	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OCc1ccccc1Cl	58951599	OECXDINDBGXFMC-UVHMKAGCSA-N	502.796	5.252	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(OC)c1OC(C)=O	97966710	SIPNWTSEJCIPFV-SOFYXZRVSA-N	553.390	5.686	50	40	KKGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21	98008283	ZEYWAIRYMMBSJX-PMERELPUSA-N	524.983	5.971	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccc(CC)cc2)=C(C)N1	98048654	PHGCMZCJWKRXNC-MUUNZHRXSA-N	542.661	5.947	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccccc1C(F)(F)F	100117367	HWQGQDOQLUWWFY-QFDQHJFZSA-N	530.856	5.874	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	100122943	NSVFQGOKURUOSQ-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100125472	CLSYTWMVXSDRCL-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(C)cc(C)c3)o2)cc1	100139481	DQWMEPJLAQIUGK-KYHGBAKBSA-N	593.105	5.338	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\C(Br)=C\c1ccccc1	100853099	UXHAYTRBHLUSIH-ORSYBPACSA-N	539.933	6.114	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1	100988914	MJVKEZNDDPTAJQ-RAMZYJDASA-N	536.484	6.984	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cc(Br)ccc1O	112255711	GMOREGBMTSNVGO-LUOAPIJWSA-N	517.210	6.228	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	150433673	PBLKXHAISMZZDS-ATZGPIRCSA-N	633.985	6.799	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164698930	ZKTGLBCDYSYJEQ-HMAPJEAMSA-N	672.317	5.587	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795388	RUIFQUMIENOVBC-CHWSQXEVSA-N	872.195	11.821	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCC(=O)Nc1ccccc1	408549998	CLFBOFPZDRSKMK-QRVIBDJDSA-N	560.391	6.535	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1	408598606	FRARSALOTSYMSC-BRJLIKDPSA-N	565.751	5.204	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408613489	ZWUJEWJCEPAGNR-AMVVHIIESA-N	534.827	5.391	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCCC1=O	408638666	DCIMPUASOQDBSN-GOSISDBHSA-N	516.208	5.424	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(F)cc1	408675914	CFYKHPILNGTAHG-OCSSWDANSA-N	540.433	5.930	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl	408725301	GYBRZBJLIZJPOR-XKJRVUDJSA-N	516.381	5.262	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)cc1	408744395	FGKVLZILNYUWJJ-UCQKPKSFSA-N	543.417	6.744	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c1	408745216	QIEYTFSUNSFQIY-ZDLGFXPLSA-N	699.124	7.091	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745509	NBFYLEAGCDOCER-CHHVJCJISA-N	571.085	8.187	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1cccc2ccccc12	408749481	PHVWJAFBOPRABT-OKCVXOCRSA-N	582.292	7.106	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1cccc2ccccc12	408750259	YUJSTJSQVNJEEO-WCMJOSRZSA-N	612.318	7.115	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408754265	JSOHOLIKPIADMY-WQRHYEAKSA-N	508.328	5.491	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccc(Cl)cc1	408783249	LTTNLZZMMUOQAY-MTJSOVHGSA-N	586.857	7.085	50	40	KKGB	
COc1c(I)cc(I)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	408791612	ZNOHSXUTGWWXBD-IZZDOVSWSA-N	564.548	5.103	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(C)cc1	408793010	CQMCWGYIVRVIKS-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)cc1	408793667	GBGPSFZFSIYFRW-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408795282	UZDPUCNYGIDIHL-CAOOACKPSA-N	553.325	5.399	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1	408796775	ZCTDHHWEMDQBEH-LDADJPATSA-N	512.201	6.336	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408798145	UTPDUBQMIBCHGN-YBFXNURJSA-N	537.366	5.376	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1	408805073	DDINQCFWIOVGFP-RCCKNPSSSA-N	531.395	7.058	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1cccc(F)c1	408806563	BHRCOIXFRZKMJT-MTJSOVHGSA-N	539.401	5.798	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2I)cc1	408806613	ALSBPHISYJFXJX-ZDLGFXPLSA-N	591.218	6.626	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408810236	IMCWECUXCHCOIN-YSMPRRRNSA-N	571.471	6.812	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c2cccc(C(F)(F)F)c2)cc1	408828297	LXZOWNYBVAIVIJ-HASSKWOGSA-N	638.668	5.055	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)cc1C	408832346	YBLMXCCUBQPFCV-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1cccc(F)c1	408838296	DGHUKHCIMLWTAH-KULFSUQXSA-N	726.999	8.692	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408842121	MAJXKNQTYRKWET-JJKQSNDFSA-N	668.333	7.702	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1	408843881	UMQYHQZRGNOQRT-QXUDOOCXSA-N	619.143	5.574	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	408848252	VEHAQGQJGAAVMJ-NSMFXTPDSA-N	523.976	5.975	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc2ccccc12	408849702	YEYXWIWGYKMRDD-BVMLUPFRSA-N	655.286	7.305	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408856255	JQEPXADMXYTCMR-RQZCQDPDSA-N	519.787	7.309	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408876379	LDQDXQXZHZRVCX-RDRPBHBLSA-N	544.073	5.182	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1ccccc1Cl	408880990	LODAHSWOOIISMJ-FYJGNVAPSA-N	586.857	7.030	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1Cl	408886263	JGHSMOXGBIKXET-FRKPEAEDSA-N	581.239	7.732	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408888213	TYOTUFWIANERBE-LICLKQGHSA-N	590.257	6.928	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408957219	SUGWTPRYTQIVNU-FDAWAROLSA-N	609.498	5.877	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408961128	AHELIZMGTUOHKV-MHDJOFBISA-N	525.958	7.109	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	408982559	HRKQCHDPJIFDSV-MFOYZWKCSA-N	733.569	7.745	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1Cl	408982592	ICWPEELENHVCSW-SOFYXZRVSA-N	540.661	8.387	50	40	KKGB	
O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1)OCc1ccccc1	409002729	PJDNNWYMNPFZJO-LJAQVGFWSA-N	537.616	5.675	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)Cc2ccccc2F)cc1	409004829	FBYKZRNFWBIAJE-BIZUNTBRSA-N	545.636	5.054	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OC	409017852	GETLPXDFJKUAOI-NUGSKGIGSA-N	577.600	5.625	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c(C)c1	409025058	QBYLRMKAECSSMI-RGVLZGJSSA-N	540.255	6.953	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2cccc(C)c2C)cc1	409027164	BCTOGRDQXSSMQG-UHFFFAOYSA-N	511.732	6.584	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409032557	JXAYZWRZFCNGNX-DLCNMLRHSA-N	544.413	7.691	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)c1C	409044531	VTPQNIMFAZBDNV-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)Cc2c(Cl)cccc2Cl)cc1	409061853	JDUGITAAHMCLNA-KVSWJAHQSA-N	559.302	5.950	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OS(=O)(=O)c1ccccc1	409067218	OKWAWUBKILOWBX-XSFVSMFZSA-N	508.983	5.390	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409070572	CHLJTVUXZWLUNQ-XQNSMLJCSA-N	504.564	5.862	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)cc2)cc1	409127988	KJTKBNXDYOVGNU-UXHLAJHPSA-N	535.069	5.645	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1	409162451	FCEREFJYPFIWNA-KLPHOBTLSA-N	627.801	5.236	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(I)cc4)cc3)cc2c1	409187565	RXUJQQKYMZALQW-DICXZTSXSA-N	540.357	5.779	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)nnc1-c1cccc(Cl)c1	409194573	PEEXRSXXNUJPBT-KYHGBAKBSA-N	597.056	7.341	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccccc2)c1	409219269	OZKCDFZBPJTAFC-UHFFFAOYSA-N	611.279	6.991	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCc1cccc2ccccc12	409246938	LJKQXJIJWLIMDZ-IMRQLAEWSA-N	569.499	7.236	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br)Nc1ccc(Cl)cc1	409272642	REZAZKIPUOUATL-IRWBXMRWSA-N	774.322	9.167	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1OC	409317005	NKRPPYIFICHDKJ-ZMFRSBBQSA-N	503.780	5.463	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	409365225	QINPKYXDIQLXTA-MUXKCCDJSA-N	594.833	5.242	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409371081	AUHHRECAQMYZGO-JAIQZWGSSA-N	583.382	5.988	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(I)cc1	409371726	LJPXDVADABXJQV-YVLHZVERSA-N	611.192	6.687	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3OC)c(OCC)c2)ccc1OCc1ccccc1	409374990	CQIJYDYEZXNCSF-QJOVZPHJSA-N	632.113	6.506	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccccc1OC	409379889	BAMDNNCUTIECQN-MOSHPQCFSA-N	564.436	5.728	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409384102	AWGVQYYOXMVJFM-AEUUOICLSA-N	686.588	7.115	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)[nH]c2c1	409392819	SFLUYMUFVCLCIJ-IUXPMGMMSA-N	508.347	6.125	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396550	WIDOSMFJTRQWQS-UHFFFAOYSA-N	681.370	8.295	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(I)cc4c3-c3ccccc3Cl)cc2OC)cc1OCC	409397593	LPGUIIUAAXFVNM-UHFFFAOYSA-N	737.978	7.882	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409404231	PMHZFYFNWBGVKA-XVIDZLOXSA-N	609.035	5.922	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Cl)cc1	409404660	QOJYIAQANADLKL-AEVGBRMKSA-N	645.543	7.663	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC#N)c(Br)c3)o2)cc1	409406185	WDOPKDDUUOTXPL-BVMLUPFRSA-N	626.305	6.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1	1529547658	NOUDHQFTVGQCSX-MWKDUONYSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1cccc2ccccc12	1529548379	DZLIFFBQTZKKNX-OMWOMDGGSA-N	766.512	6.829	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1cccc(Cl)c1	1813860	SYGDRZIGJGVWEO-VULFUBBASA-N	526.847	5.593	50	40	KKGB	
Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)c1	2194111	TWXNGZCVJCHIPT-YDYXIROLSA-N	518.436	5.823	50	40	KKGB	
Cc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)c1	2224617	SIFSTUPMNPWDSV-CVKSISIWSA-N	506.429	5.248	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/C=C/c1ccco1	2320895	KMUWTXPJQRZQPG-WFAHUBIASA-N	508.401	5.197	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)O	6089740	VBJGTPSNFOGRFY-WKULSOCRSA-N	530.606	5.488	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1cccc([N+](=O)[O-])c1	8918930	VUCDNGPALIPQMW-WGOQTCKBSA-N	513.023	5.644	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1	12250094	OOLNMNQXTPFRNW-GDLZYMKVSA-N	522.674	6.318	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1	13770778	XMJWKGKIPVBLOR-IQQNDYETSA-N	512.393	6.197	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1cccc(F)c1	59333326	WLPSLKWBHDYMOQ-DIBXZPPDSA-N	525.624	5.788	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1)Nc1ccc(F)cc1	59646342	BAUDSYNIQNCPCI-VTNSRFBWSA-N	548.039	6.553	50	40	KKGB	
Cc1ccc(-n2c(/N=C(\C(Cl)Cl)N3CCOCC3)nc(S(=O)(=O)c3ccccc3)c2S(=O)(=O)c2ccccc2)cc1	97957697	HAQUQSOPFPKELA-QCKNELIISA-N	633.579	5.012	50	40	KKGB	
C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Br)o2)c1	97965763	SZUZPCDOUWYBCC-DHRITJCHSA-N	519.193	5.140	50	40	KKGB	
CCn1cc(C(=O)N/N=C/c2cc(Br)ccc2O)c(=O)c2cc(F)c(N/N=C/c3cc(Br)ccc3O)cc21	97968516	ZWFSZPMOYAOETP-CHBSYIIJSA-N	645.283	5.307	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)[C@@H]1c1ccccc1OC	98000351	LUXRODOWSIYSQZ-SANMLTNESA-N	570.067	5.163	50	40	KKGB	
O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1cc(C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)OC4=O)cc2)cc(N2C(=O)c3ccccc3C2=O)c1	98001212	BKTMYPAAIMWOOC-UHFFFAOYSA-N	785.677	7.198	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3c(C)cc(C)cc3C)=C(C)N2)cc1	98048492	RPOLUXYLKJBBCO-NDEPHWFRSA-N	540.689	6.474	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100081389	HCPLGCWDVZZHOG-BIZUNTBRSA-N	563.123	6.217	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(I)c1OCc1cccc2ccccc12	100335889	QLMMIRYZWSVLSR-HYARGMPZSA-N	566.439	6.388	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccccc2)cc1	100350290	WJISELUPZSZRCQ-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	100991346	INQGJGJCXCAXIJ-BDPHVXEFSA-N	542.875	7.020	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)cc1	101036064	PVGVSVMLHCHFBF-SSEXGKCCSA-N	551.668	6.075	50	40	KKGB	
CC(=O)N(NC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1)[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl	101463535	IKPHAOYQIBWVPN-LJAQVGFWSA-N	547.482	6.515	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cccc(Cl)c1)[C@H]2Br	103162716	VSGWWOPDSKISBH-UVBJJODRSA-N	514.483	5.964	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)[C@@H](NC(=O)Cc2cccs2)C(C)C)cc(OCC)c1OCc1ccccc1Cl	103723684	WIIJPZOOUQEEJQ-OEQRMHEASA-N	568.139	5.941	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889437	FOOZKNLYGORFOW-NVNXTCNLSA-N	571.085	8.187	50	40	KKGB	
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)OP(c2ccccc2)(c2ccccc2)(c2ccccc2)[C@H]1c1ccccc1	104133505	VIRUMEGOLXUPNB-RGEYYOIHSA-N	576.676	8.443	50	40	KKGB	
Cc1ccc(N[P@@]2(Cl)=NP(Cl)(Cl)=N[P@](Cl)(Nc3ccc(C)cc3)=NP(Cl)(Cl)=N2)cc1	104258549	FZWAOQUWWADMCN-WXUXXXNLSA-N	604.938	12.059	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(OC)cc3)cc2)c(C(=O)OCC)c1C	109185803	ZXAJYAHMGFQYGT-PXLXIMEGSA-N	547.629	5.716	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	112265598	OKNVBQCKOKHGKI-UVHMKAGCSA-N	566.677	6.145	50	40	KKGB	
CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341535	AADZLGYJPDEXJB-GFCCVEGCSA-N	764.289	11.356	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	162478916	XXOJTUISQWMZEP-ODQASSKESA-N	739.903	7.959	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795252	NJOKJQXODICYMG-SYDPRGILSA-N	659.965	7.430	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)oc12	223547123	FTNDIDCBEPRYGG-KXVDBBMMSA-N	512.448	6.468	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2OC)ccc1OCc1ccccc1	408539293	VDKROMBKQGBBPN-JFLMPSFJSA-N	627.535	7.787	50	40	KKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC	408539429	HNCSZPAACGSHOP-RGXNXFOYSA-N	539.072	7.049	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408540876	WSLPUYFVDJRKNN-GXBUFBABSA-N	559.062	7.059	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1	408570578	WYFWFTZSCRAEKF-KBVAKVRCSA-N	593.568	7.189	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	408570820	YYSZWEMIDNQDLQ-VFLNYLIXSA-N	659.398	7.185	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	408605120	WWMZAUVTBOOMKJ-FDVSRXAVSA-N	543.992	7.139	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O	408643443	PLXZUPYUXYWCOO-OEDAEHMWSA-N	575.851	5.423	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408644048	GSYYQGKQFCNHBW-SZRMMQHJSA-N	726.076	6.662	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408674469	ZPBAJNZIQWEUBF-KCDSLRJUSA-N	654.355	5.533	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408675532	BEYWHWZTQWHUOJ-GFBDQPOWSA-N	566.677	5.183	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408680336	GDGYSOSTLLAJKP-SYMSYNOKSA-N	623.556	6.126	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)cc2)ccc(Br)c1Cl	408690477	VMWFSFVTOYTIBU-GPVWYMNVSA-N	614.707	5.177	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408746187	CAHIZBRGSSQLIW-KYHGBAKBSA-N	675.748	6.672	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408750980	UXLADSMQXBDSQK-BIZUNTBRSA-N	559.460	5.731	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1	408755957	SONHJJMRJSFWJW-FMFFXOCNSA-N	561.619	5.226	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OCc1ccccc1	408757003	VLVBOSVFJKVKFV-YBFXNURJSA-N	650.254	6.419	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1C#N	408760459	YXOKRGGOLMQGET-MTJSOVHGSA-N	502.368	5.844	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408763414	OCTWTBNPGVKRCI-PXNMLYILSA-N	730.094	6.691	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1Cl	408788077	IDHWVPGPELTUDS-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1cccc(C)c1	408790644	XLQKWOWIKOPKKR-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408791047	SRBCGNSYJPVMJK-PXLXIMEGSA-N	533.422	6.537	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)cc1	408793222	DLIXSMYHHHYZPH-LPYMAVHISA-N	505.412	6.453	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1	408793427	FKSNWWBRSRGMRT-RGVLZGJSSA-N	618.311	7.456	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc2ccccc2c1	408793937	HCXYDFBMQNSCIP-SRZZPIQSSA-N	629.281	7.884	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccccc1	408809514	HSAWGONULXZLBE-ANRKENSESA-N	684.315	7.412	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408830162	RVDNFZVWLANSBH-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408831649	ROFJFGVWDMWPEU-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	408835459	XMWIJLQWFZDFKS-KGENOOAVSA-N	565.851	6.638	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OC(C)C	408836327	PZFNMKMGODDBDI-UDWIEESQSA-N	555.856	7.023	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Br	408836391	QTVRHAAYILPIBS-BVMLUPFRSA-N	664.365	5.829	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCc1cccnc1	408838222	SSLYSYCKJVZAEW-BKUYFWCQSA-N	615.926	6.249	50	40	KKGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408839530	UEUKNUBTNFDHKP-AMVVHIIESA-N	565.051	5.840	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408841750	KSEMYOBTPHBGMM-JJKQSNDFSA-N	579.431	7.484	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1	408841755	KUQPSFUUHCGTJP-RVDKCFQWSA-N	780.323	7.526	50	40	KKGB	
COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc(OC)c1OC	408848593	XHVGUBJTNGRKEB-UHFFFAOYSA-N	618.893	5.670	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccccc1	408853596	QECIRFXLFPMESE-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	408853881	ZAIRHEHTGCVDPI-APTWKGOFSA-N	516.601	6.353	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408855838	FGVDJSYHZZMSJZ-FDAWAROLSA-N	653.511	5.291	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)cc2)cc1	408864076	SNEMHFRPXYBIDY-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408874350	BKBOTWRSQIPUPL-AABVJFSESA-N	711.849	7.343	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccc(F)cc2)cc1	408882083	PGASXIRSTGMDRI-XICOUIIWSA-N	581.669	6.212	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408945030	JZZUPUZRMHNGHR-LJAQVGFWSA-N	750.499	6.619	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)c(OC)c1	408958601	ZKMMQRCAQAWJNO-GPQOJQFPSA-N	710.969	5.282	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc(F)c1	408961447	CHOPRGQUEAYVQO-VVEOGCPPSA-N	539.323	6.349	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc2ccccc12	408962633	IQJXSXWFJOLQNW-MHDJOFBISA-N	526.942	7.254	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)c2C)cc1C	408979972	OZVYIPBKMPMBFX-NBCFERAOSA-N	518.658	5.271	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(OCC)cc3s2)o1)c1ccccc1	408992822	SYKDNZJZGUJNCT-WTFDWONZSA-N	538.651	5.767	50	40	KKGB	
O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	409015895	CHBBYZGXXOVYTI-GZZLJNBRSA-N	516.601	6.005	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2ccccc2OC)cc1	409028443	MNGQURAJAQRBQD-FDAWAROLSA-N	625.545	5.219	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409030229	DVGPMBRCCFVJKK-DLCNMLRHSA-N	680.315	7.751	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	409046164	IXIYJPOZUXXDTN-MHWRWJLKSA-N	521.809	6.269	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	409053078	KBUZEQLSWPVDGK-XKJRVUDJSA-N	617.698	7.301	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)Cc2ccc(Cl)cc2Cl)cc1	409053621	GOEZHXVMUOIYMO-OKCVXOCRSA-N	546.520	5.941	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409065294	FPXZIJFVGXUBPY-FMFFXOCNSA-N	571.699	5.232	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc4ccccc34)c(Br)c2)C2=C1CC(C)(C)CC2=O	409124853	DBDYKQMBHUAUOE-LJAQVGFWSA-N	586.530	6.564	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C	409172051	BFODVBMHIXKMOI-WCMJOSRZSA-N	595.494	5.133	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccccc4C#N)c(OC)c3)cc2c1	409186475	CMBYQXWSGLAWKD-MNDYBZJGSA-N	548.393	5.817	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccco1	409218764	GWCZRWIYCIBUMR-UHFFFAOYSA-N	566.397	6.221	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1	409221873	BJUMSJUEPFQUQW-QAHORGPQSA-N	564.554	5.238	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409226087	RZYANXOWHVLWAG-YBFXNURJSA-N	524.404	6.182	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1	409233065	DCLLLNYRRCDSBU-NSKAYECMSA-N	509.846	5.875	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409257954	VDOUBUXDYMOLEC-KOKCXWAISA-N	698.643	8.113	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1ccccc1Cl	409263112	HBQCISCWENLCRR-OJYCWLPVSA-N	602.087	6.498	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)cc1Cl	409263346	ISOYHAWRJSRHNF-QMRORBIVSA-N	630.557	7.950	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409272851	SWQDKRMYOVCUBZ-PDGQHHTCSA-N	584.854	6.073	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1OCC	409318962	ZBWAYIWEPVMWIK-NUJZUDFISA-N	521.828	6.787	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)ccc1OC	409324423	UEEXMMXJFOHANS-YNFMAFFXSA-N	567.904	6.239	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OC	409334451	LOUMQJJGCZLPOH-MWLSYYOVSA-N	509.990	5.227	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409361740	DDCLWJHGQCAXRI-XDHOZWIPSA-N	552.400	5.859	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccc(F)cc1	409365720	WOAJEUITJAGHPW-DLCNMLRHSA-N	644.526	7.237	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	409367621	GHKMVDHIWCMRLR-KVSWJAHQSA-N	612.251	5.908	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(I)cc1	409371316	IBRJDAXRGZIJME-LCYFTJDESA-N	521.108	6.286	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2C#N)c(OC)c1	409373726	TYBZDESSZIKVJL-WCMJOSRZSA-N	591.405	5.676	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409381945	INJXOXBXNAPIHN-GZTJUZNOSA-N	511.912	5.580	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409392150	LNFNVVNWTXURKC-GRSHGNNSSA-N	542.348	5.829	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(c1ccccc1)c1ccccc1	409393535	YDNLHAACGMYDJJ-MNBJERMJSA-N	578.304	7.073	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409395702	QUKFQGWIMHMGPX-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395991	UXIDDNXIZLVHKH-UHFFFAOYSA-N	769.830	7.939	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409397590	LOBFRFBRQOWOTE-UHFFFAOYSA-N	620.920	8.485	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC(C)=O)c(OC)c4)c(OC)c3)[nH]c12	409398572	USASXOXQLOQHRO-UHFFFAOYSA-N	640.092	6.976	50	40	KKGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409402303	JRVCPMAKMCDNEA-ACXHZZMFSA-N	719.317	6.251	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1	409403965	OVUUNPIZYGDLQQ-HQDYHJHZSA-N	639.621	6.434	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409405436	UAKKHOLXRJDDKY-FRKGHFGRSA-N	666.989	8.968	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409405632	UDPOAIWRZGAZOE-MFNYRUALSA-N	529.593	5.360	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409410594	YDKVLRYDFDNLJY-NATLLQGRSA-N	648.672	6.956	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1	1529548709	MJQWFQNAIRWARX-JQJFYRLNSA-N	879.342	6.667	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC(C)=C2C(=O)Nc2ccccc2)cc1	1306468	HQXMTCWFILFIJZ-NDEPHWFRSA-N	524.646	5.792	50	40	KKGB	
O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccc(Cl)c(Cl)c1	1776472	AWURURRLWOGYTH-GZIVZEMBSA-N	503.889	6.033	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3	1848991	AFXRZCKERWODQU-IPPBACCNSA-N	597.560	5.648	50	40	KKGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	1882354	JPTNPJIPYZITIU-UHFFFAOYSA-N	553.060	7.121	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3Cl)NC3=C2C(=O)CCC3)cc(OC)c1OC	2334509	IJVPPEFUOLLNPX-HSZRJFAPSA-N	531.461	6.382	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccccc2Br)ccc1OCc1cccc(Br)c1	3083761	IYMRHBNJYFYJPN-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1	3214255	BPUGMVDOYKLDRW-BIZUNTBRSA-N	586.073	5.766	50	40	KKGB	
COc1ccc(-c2nc(-c3ccc(/N=C/c4ccc(N(CCCl)CCCl)cc4)cc3)cs2)cc1OC	4822605	NVWITHKRQOENOQ-FDAWAROLSA-N	540.516	7.529	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1	8384187	QHLPCGVGWSWPKW-NJZRLIGZSA-N	584.016	5.502	50	40	KKGB	
Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C[C@@H]([C@@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)c1	8449815	CLJSKGHGSRSCIZ-DWIKVQACSA-N	505.206	5.070	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccccc1	9019372	OLZRDBHOTKMIIQ-ONUIUJJFSA-N	506.429	5.329	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1OC	13894227	FVPIWMMIGJWVDL-BRPDVVIDSA-N	515.639	5.201	50	40	KKGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	20233034	COMHBFDUMUQAQK-NJZRLIGZSA-N	527.646	5.633	50	40	KKGB	
C/C(=N\NC(=O)c1oc2ccccc2c1C)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	20343722	KCBJAKBJEWAQBM-KLPHOBTLSA-N	503.374	5.667	50	40	KKGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1	38700677	OUTJORMCLPEEST-QHCPKHFHSA-N	519.047	7.022	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Cl)c1	59332981	LSTRHAJOXBDHKG-HAHDFKILSA-N	506.433	6.137	50	40	KKGB	
COC(=O)c1c(C)[nH]c([C@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)c1Cc1cc(Cl)ccc1Cl	59722796	APUORXNYFKPTQW-QFIPXVFZSA-N	527.433	5.307	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)=C(C#N)[C@H]1c1ccc(Cl)cc1	98048879	QMWPPRHTLZKKFP-OAQYLSRUSA-N	551.839	6.212	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	100287899	NPUMDTOZFXFQAH-KCSSXMTESA-N	623.087	5.490	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OC	101392553	UARWLYZBAIPYOS-VWLOTQADSA-N	561.388	5.958	50	40	KKGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1	102620517	BTEBRBFAOUVHRW-GDNBJRDFSA-N	516.862	8.148	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)N1	102807474	BJWNKIYEUYYBFG-XMMPIXPASA-N	557.434	6.432	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccc(F)cc2)=C(C)N1	102808902	AWLNMHCRGVTCQP-VWLOTQADSA-N	553.015	5.787	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1	102810314	NVSLAZFKODMYRV-SANMLTNESA-N	548.590	6.412	50	40	KKGB	
O=C(N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	102982561	DITRLUBKNBYJPL-BPDFDMIXSA-N	532.021	5.799	50	40	KKGB	
CCOC(=O)c1c(NC(=O)C(Cl)Cl)sc2c1[C@@]1(C)CC[C@@H]3c4ccc(OC)cc4CC[C@@H]3[C@@H]1C2	108238166	RLXPMEFDXSZYBY-TYCDRRJTSA-N	522.494	6.246	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Br)cc1	150489270	OIRJAVJLCPJOHT-DBFSUHOCSA-N	651.149	7.462	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@H]([C@@H]1P(=O)(c1ccccc1)c1ccccc1)[C@@H]1C(c3ccccc3)=NO[C@@H]21	169811308	PCPWWUPRFBJKIV-ABULEZFRSA-N	613.634	6.821	50	40	KKGB	
COc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2)ccc1OCc1ccccc1	408539506	ICAPYTVJPCVDFA-OVVQPSECSA-N	504.586	6.707	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OC)ccc1OCc1ccccc1	408539985	LIWWKSWQGLYAQI-JVWAILMASA-N	627.535	7.869	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408548505	HWTXQRYZWKHNIX-JJFYIABZSA-N	539.256	8.561	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408601811	BTPWCBBSFWZKPR-FQEVSTJZSA-N	542.463	6.084	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCCC1=O	408638667	DCIMPUASOQDBSN-SFHVURJKSA-N	516.208	5.424	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638933	DPQVMCQOKDLORY-VCTPWBKUSA-N	738.493	7.678	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408646861	JALUXOPZJNTVGN-GHMQEZDJSA-N	749.239	6.231	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)ccc1N1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	408651616	NOZXBQLDBTWOAH-YADARESESA-N	542.390	5.487	50	40	KKGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OCc1ccc(Cl)cc1Cl	408740158	ACKPHKNJKLWDCN-FXBPXSCXSA-N	582.285	7.352	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c1	408744659	MLKSDYYRDOXJKI-IUXPMGMMSA-N	595.118	7.952	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)c1	408745059	PCLROTAYHPKYST-ZDLGFXPLSA-N	699.124	7.091	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c1	408746878	XCUYAIQDICOIBU-IUXPMGMMSA-N	672.144	7.884	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408747232	KUHAUZYIVFPNEZ-PXNMLYILSA-N	609.087	7.238	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCc1ccc2ccccc2c1	408749477	HECINBLOKXBHRU-XICOUIIWSA-N	642.493	6.418	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1ccccc1	408762109	CSMJWJCMKSOHJL-WKULSOCRSA-N	520.383	5.114	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408785697	AUJUTUKLEANKIT-ZROIWOOFSA-N	566.717	7.367	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1)Nc1ccccc1Cl	408785898	JKUYXDUTSXJNLK-ALQBTCKLSA-N	553.062	5.680	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1	408790133	NYHHWFMOAKYBQW-VCHYOVAHSA-N	696.133	6.727	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1cccc(C)c1	408790583	XAIOBOWMXLGRER-YBFXNURJSA-N	540.357	5.439	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408791382	WWJALSQYQXHPKQ-BUVRLJJBSA-N	541.003	6.803	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408791493	YDNIMCQBJBRTKG-UDWIEESQSA-N	574.302	7.842	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(Cl)cc1	408793026	CVJOXJIZMDMFTH-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408793184	DKFAINHFVJXOBI-NLRVBDNBSA-N	549.583	6.697	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1	408795623	MLXCGTBZZQNZBA-GIJQJNRQSA-N	682.227	5.946	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OCC	408821505	IKDRRGDVHXXHAA-KGENOOAVSA-N	616.883	7.257	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(C)cc2C)cc1	408833866	ZRFCDQYBVVAWPV-WCMJOSRZSA-N	570.498	6.524	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1cccc2ccccc12	408835872	YQGRMAZJAASPFU-WPWMEQJKSA-N	609.509	8.859	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408838570	GENUWSCPVYIQIK-KPGMTVGESA-N	633.038	6.690	50	40	KKGB	
O=C(Cc1ccccc1)NNC(=O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408841236	DQDQUCQBYHUOJN-UHFFFAOYSA-N	542.842	5.573	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408845167	LGJALDHSSDBDTE-ZMGVVAQMSA-N	576.878	7.599	50	40	KKGB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C	408849191	VLUKWGVGVSEYPL-GXBUFBABSA-N	530.628	6.631	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1	408849471	YZPGZSUYHZNETM-KVAAJVFYSA-N	618.498	7.452	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1O	408852177	CWDVNMMLKBRMLQ-YKQZZPSBSA-N	514.423	6.413	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)c(Cl)nc2c1	408864517	WQCPXIAZHBXGBM-FJEPWZHXSA-N	631.936	5.322	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1ccccc1C#N	408866047	DFOQKRTTWYPWFV-FOKLQQMPSA-N	576.447	5.539	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1Cc1ccccc1Cl	408867087	JGWUYEILWMTYHR-WOJGMQOQSA-N	513.794	6.777	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1cc(Br)ccc1O	408869782	UFPYTUZSQHFSIF-MASGQBSNSA-N	592.449	5.121	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(Cl)cc1Cl	408870129	VCIVBSVCOKOWHN-KALUYTGESA-N	696.066	6.454	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OCC)c2)cc1	408880447	JYUOGHLWIQDLIC-XSFVSMFZSA-N	539.415	6.693	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccc(Cl)cc1	408887063	LSVLAZVXJKDXGW-MWBNBJEGSA-N	630.023	8.074	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1Br	408888312	YWKISMKGMHUFQO-YBFXNURJSA-N	556.254	6.653	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	408893909	GVGKQRRSBBIONP-RIYZIHGNSA-N	584.295	5.520	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1C	408926307	WYQNUKUHNDIVCN-LGJNPRDNSA-N	534.781	5.605	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCc2ccc(Br)cc2)c(OC)c1	408951386	ITCWGTMKQCYCNR-OEISHWKDSA-N	760.436	5.528	50	40	KKGB	
CCCCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC	408970944	BHMDDRGHTIVDHU-IIPRTONHSA-N	562.505	5.005	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)c2ccccc2)cc1	408979641	NONAUEFNDQWISN-KHCQRQCYSA-N	563.123	5.924	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(Cl)cc1	408984132	PTWYNIWGCKMUGF-ZDLGFXPLSA-N	546.248	7.198	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408992260	RCASPEZUNKZVKZ-JAIQZWGSSA-N	678.264	6.281	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	409003029	QRMRMWILKRDBJA-RZWSOBKFSA-N	535.047	6.355	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC	409014156	PDAOGYIHOZTFOH-WQPSUOTESA-N	778.612	7.329	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	409019708	WTWZIDBUJIHZMD-GIHVRISYSA-N	574.480	6.160	50	40	KKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	409019788	XESFUJNIEMNDIJ-PLLSYXSBSA-N	503.430	5.232	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2F)ccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409035329	POASRRRFMYCMSW-SAEPALGJSA-N	607.110	8.842	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409043209	YFGZSVDTMHNGMF-OHUYPAJKSA-N	615.325	7.770	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OS(=O)(=O)c1ccccc1	409073193	POESPSZNWDTZFK-HAVVHWLPSA-N	502.592	5.436	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1	409087774	HQBVZHABWIXHBJ-XNTDXEJSSA-N	532.272	6.714	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1ccccc1Cl	409126223	HBDAAAHMZLDORV-VTNSRFBWSA-N	597.068	5.003	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c2)cc1	409152613	KNAWMNDHGUKQEN-OKCVXOCRSA-N	557.434	5.279	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)cc1	409174226	UCKVCFIVMBGFAL-AABVJFSESA-N	621.012	5.653	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4Cl)c(I)c3)cc2c1	409188263	YABTWFNENKNOKL-DBFSUHOCSA-N	700.698	7.037	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(Cl)cc1	409190107	WJZJUIMAEABVMD-YPXUMCKCSA-N	547.063	7.406	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)nnc1-c1cccc(Cl)c1	409195641	RIURVZDHXFADGX-FYJGNVAPSA-N	559.051	6.840	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409208244	BJNWCRHQFLDQLC-MUFRIFMGSA-N	540.041	6.197	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccccc2Cl)c1	409223144	HFIQLJYOYPIHTC-UHFFFAOYSA-N	541.947	5.304	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccco2)cc1	409225067	OHRLZZLBLMTLNN-FDVSRXAVSA-N	522.344	5.822	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3cccc(C)c3)cc2)c1	409226333	VBQMLWAUWTUKEG-CAQPMQTCSA-N	525.992	6.192	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1	409237495	UVWCDDFGFRQXRT-CTPANLQCSA-N	509.375	5.960	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2I)c1	409238217	WHXKOIJTOONJLX-WGARJPEWSA-N	502.327	5.011	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409248903	HTWAOIFBYXRRSI-KULFSUQXSA-N	752.034	7.910	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409254400	ILGRWNMNOIJGDV-UDWIEESQSA-N	566.427	6.167	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409254491	XLSIWIIKDZCTDB-ZTPJUAHUSA-N	655.387	6.421	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1	409259835	GHYFMIJHBJGOKU-NVMNQCDNSA-N	617.725	7.045	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409325624	YXIGPCQDMCNFKV-UHBFCERESA-N	544.435	5.962	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c(OC)c1	409383710	BRQDZOZYTRWULT-IPBVOBEMSA-N	711.121	6.563	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c(OC)c1	409383921	PAKSVVQAEJZILH-KKMKTNMSSA-N	582.676	6.225	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409385355	JSIGJKZATUHCKA-WKULSOCRSA-N	607.429	6.910	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)[nH]c12	409395391	NCMRSBORAMVQRT-UHFFFAOYSA-N	587.817	6.699	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)[nH]c12	409395636	QCKVYQUUZLVJNW-UHFFFAOYSA-N	725.821	8.322	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccccc1	409395983	UUTQVCZRCCXGJE-UHFFFAOYSA-N	765.083	9.412	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc(Br)cc1	409397126	GOBBNMCRPZNZJU-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409399341	ZSQVKJXCFMQUGO-UHFFFAOYSA-N	532.600	5.893	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)CCCCC)CC[C@]4(C)[C@@H]3CC[C@@]12C	503922228	LUCINILKTDTAAV-DEADEBNZSA-N	549.349	11.132	50	40	KKGB	
CNC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2	1454079	GVFCWPVROYSGIC-ACCUITESSA-N	500.407	6.099	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](c2cccc(Br)c2)P(=O)(c2ccccc2)c2ccccc2)cc1	3177654	RBCBBERFEVSHOP-AREMUKBSSA-N	540.419	5.749	50	40	KKGB	
O=C(Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1)c1ccc(Cl)cc1Cl	4178517	BIWHUKNORLSMJV-QZWWMMCMSA-N	588.079	5.495	50	40	KKGB	
COc1cc(/C=C(\C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccccc1Cl	4196286	HUXCMLRMAQLHEZ-GIJQJNRQSA-N	533.647	7.517	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1	4196403	JDLBNMFHADAKCI-BIZUNTBRSA-N	559.460	5.731	50	40	KKGB	
C[C@@H]1[C@H](OC(=O)CCl)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C	5733778	YJDLJJSTBAYZPA-UMONAHPCSA-N	505.227	9.039	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OCC)c1OCc1ccc(Cl)cc1	6600415	YEFDPQBJWRTKLF-MHDJOFBISA-N	575.971	6.666	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1	15012273	MKFZTJCMDANHNK-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)COc4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)c1OC	36080547	LIGRWSMBWJVKOV-NRHLSEBVSA-N	511.622	5.758	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc(F)c1	59333220	MCTMCQSWUWFCTD-HAHDFKILSA-N	520.004	5.713	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(F)cc1	59333301	JCYXPQMVTXSZIL-XHPQRKPJSA-N	511.597	5.398	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2cc(Cl)ccc2C)cc1	59647324	NGKZXXSNESVIGD-FABQOPTDSA-N	623.106	5.459	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	59856769	YHQFBADWKGPHLI-RWPZCVJISA-N	528.417	5.198	50	40	KKGB	
c1ccc(C(c2ccccc2)(c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	95704744	CYUKLJGLQGQRCJ-UHFFFAOYSA-N	505.621	7.973	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccc(C)cc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965731	QLSFASKKDUIHSB-OLZFPDKCSA-N	632.580	8.259	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[P@](=Nc1ccc(F)cc1)(c1ccccc1)c1ccc(Br)cc1	97983383	LREBFQMEYYWJTM-DHUJRADRSA-N	544.408	7.200	50	40	KKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1	98001461	OGPGJWJKBWSODZ-QDJJONHZSA-N	647.529	5.303	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2c(Br)cc(Cl)cc2Br)=C(C#N)[C@@H]1c1ccc(Cl)cc1	98048691	HZNVXFWFZODYAW-NRFANRHFSA-N	630.189	7.175	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1	100042331	KEFOHICZSQDXMG-GHEWLKJUSA-N	574.456	5.651	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(Br)c1OCc1ccccc1	100232682	PHPBUHVOMILRSM-VCHYOVAHSA-N	540.345	6.020	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1	100240019	VGPYRSZIXPJKKK-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
O=C(N/N=C\c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2)cc1)Nc1ccccc1	100536598	OZKLUQOFQLAQCL-CQERHEFCSA-N	594.628	5.155	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Cl)cc3Cl)nnc2-c2ccc(Cl)cc2)cc1	100852022	PHSXBTHTKOTXTK-OKCVXOCRSA-N	574.921	6.926	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)c(Br)c1O	100945273	RTBZIAXPOREBLS-POHAHGRESA-N	530.998	5.234	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100989378	IJJTXKWEZWLESD-YMGIJWJESA-N	552.881	6.476	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C(C#N)[C@H]2c2ccco2)cc1	102808614	XSKMRZZSGWGDFT-SANMLTNESA-N	582.604	6.404	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1OCc1ccccc1	102989355	JKPHCLYNMDXGTM-UQRQXUALSA-N	543.667	6.115	50	40	KKGB	
C[C@H](Cl)CN(Cc1ccc2c(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)ccc2c1O)C[C@@H](C)Cl	104049498	ITGSIOPQUIWWIU-TVFCKZIOSA-N	524.360	6.364	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104699837	DCUNTJAFHLWMEA-DCNRLNPASA-N	541.095	6.153	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(C(=O)OCC)c1C	105720777	QMUJXZPCUAAKHM-KGENOOAVSA-N	575.086	6.785	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c1	150364258	HQDLXPQQEPEJBD-FDVSRXAVSA-N	662.265	6.401	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408532937	RPAUFKKBNHTAOE-XKJRVUDJSA-N	551.268	6.214	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OCC	408538853	CNHSFQVMNICDPX-LQNQUEJISA-N	543.424	7.370	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408541082	BJYVEIJRFWNGNU-JAIQZWGSSA-N	523.339	6.097	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408541625	DSMPYWVWKIZXLM-JAIQZWGSSA-N	523.339	6.097	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(Cl)cc1	408547931	AVVUUSJMFREIAG-FSJBWODESA-N	551.811	7.750	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cccc(C#N)c1	408568020	RNTJWMRTZFMEEG-OCKHKDLRSA-N	633.183	6.319	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1	408582982	QIGFBORYRYTOSF-YBFXNURJSA-N	556.254	6.610	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(OCC)c1OCc1ccc(I)cc1	408608346	VXEQDCJIEYDXRU-BUVRLJJBSA-N	589.477	7.555	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(F)cc4)CC3=O)cc2)cc1	408655275	RLUPJVJTXUEHNT-NLFFAJNJSA-N	509.961	5.703	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)c(Cl)c1	408733824	ANCVGIQXWNFOER-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc2ccccc2c1	408746933	IAFBWEKLTVCPMJ-UCQKPKSFSA-N	513.391	6.736	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccccc1Cl	408762264	JWHXOVWNQSQLMI-MFOYZWKCSA-N	623.672	6.840	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	408778122	BLRRULNIRYVIBL-ODLFYWEKSA-N	554.340	5.123	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408783274	NMPKCJHDEHEDHI-GRSHGNNSSA-N	607.275	7.430	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc(OC)c1OCc1ccccc1C#N	408791912	FEUWCCBYMLEIIT-WGOQTCKBSA-N	521.573	5.597	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792893	BWGUVKXFUSUGBK-XIEYBQDHSA-N	501.561	6.953	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Br)cc1	408793685	GDFAKBNWGFABGX-WOJGMQOQSA-N	635.150	7.497	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1	408798962	XUAPAKWWJDUNTB-ZVHZXABRSA-N	637.315	7.894	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408799199	YJJVKVZYURHKRZ-VIZOYTHASA-N	709.536	7.981	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(I)cc2)cc1	408817126	VDPFUWSDODCSMU-NDENLUEZSA-N	603.254	5.865	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(I)c2)cc1	408818793	OXEKUTHCEXYWEQ-IWIPYMOSSA-N	574.418	6.255	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc(F)cc1	408827213	CNDUHGQAIJPRON-OEAKJJBVSA-N	621.890	7.954	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC	408837492	HABWKPPTDSSDQC-AMVVHIIESA-N	614.440	5.139	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCc1ccc(Cl)cc1	408838210	SJQQIUIUJJTDLQ-JCMHNJIXSA-N	614.938	6.854	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1CC=C	408845368	MNAZILJZIVMWGB-HWIUFGAZSA-N	554.488	7.272	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(C)cc1	408850522	BIXXPOZSJSMQBM-CKJBABAKSA-N	569.705	7.841	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408850620	PQKDOROVYFSITK-WNFQYIGGSA-N	577.998	5.335	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408858304	OCBJITQNPMFZQN-ALQBTCKLSA-N	635.142	5.329	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC#N)c(Cl)c2)cc1	408858428	PCJVPVJCDBRARE-LJUMEUDFSA-N	503.389	6.426	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1	408860680	BPCJHWJNEFQMKZ-QNKGDIEWSA-N	584.698	5.173	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1Cc1ccccc1Br	408864850	ANHDVKKVMATLCY-XDHOZWIPSA-N	526.228	6.357	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc(Br)c1OCc1ccccc1Cl	408872471	DZLNJLZNWSVOCZ-NNLKUIAGSA-N	661.040	7.909	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(C)cc1	408880025	GQRSCJIDJYJPES-KKMKTNMSSA-N	569.226	6.258	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccc(Br)cc1	408880863	JDGCGTRGHXVTFC-GZTJUZNOSA-N	532.221	6.889	50	40	KKGB	
Cc1c(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	408882948	RXCLMZZMFSBOMR-XICOUIIWSA-N	644.153	5.062	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(F)cc1	408883819	RBYRJTIBXINZAO-RQZCQDPDSA-N	549.318	6.740	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408888279	YLTDPSUIMUCKRN-LICLKQGHSA-N	657.313	6.619	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1cc(C)cc(C)c1	408889322	CKQIHWAFGYRQPO-ZVHZXABRSA-N	533.466	7.152	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(OC)c1	408921621	BBAXUYZXVITWLH-MMVATDKPSA-N	706.377	5.674	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1OCc1ccc(Cl)cc1Cl	408921743	BQRZPPLGSDLZIQ-GZTJUZNOSA-N	532.221	6.889	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1ccc(Br)cc1	408922107	DECRIVKWGFBIFO-LDADJPATSA-N	508.328	5.491	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1C	408923569	JOKNKMNCXPZLQY-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1	408924960	PTURIZZGRRCRSK-YBFXNURJSA-N	554.372	6.328	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	408939582	AZELETRTWUQBIK-MHZLTWQESA-N	751.443	6.128	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12)c1ccc(Br)cc1	408953169	LQMJTQMNXBKILH-QNMMUTJLSA-N	594.440	5.555	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1OCc1ccc(Cl)cc1Cl	408970681	BWTCKICXTRVVJI-RAWMCFOBSA-N	524.198	5.813	50	40	KKGB	
CCCCCOc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408971961	MYJPOWMMUZSPBG-UQCIJCDUSA-N	566.526	6.020	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1Cl	408983320	LJAIUYNHBMDCLY-VYYCAZPPSA-N	524.108	8.069	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)C(O)(c1ccccc1)c1ccccc1	408995410	CLAMVOUXIHWXQH-WPWMEQJKSA-N	507.409	5.580	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc(OC)c1OC	408999492	DAOAKTVDDKASIL-MRBOLSKUSA-N	658.505	6.110	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007330	NWBCPHWKIZQHLA-LQNQUEJISA-N	603.763	7.733	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1O[C@@H](C)CC	409009167	BUOLKKZIJWDSPG-ZVYABZQBSA-N	619.681	6.793	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1	409017291	FQIJTHMEVPOGCZ-DISDRQSNSA-N	629.625	6.142	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCOc1ccc(Cl)cc1Cl	409019327	WJCZICOUSPAFQT-UTOCKENXSA-N	631.354	5.805	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028599	PXWQQHSTWDPWEM-UPKQYBOFSA-N	572.470	6.351	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1Cl	409051200	BUARBQANDKBNLM-RPPGKUMJSA-N	583.651	6.358	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)C2=C1CCCC2=O	409123049	DKQOXQHHFGRWEC-NRFANRHFSA-N	716.155	5.967	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1	409167924	KHRUWGRRFYMPQA-VVEOGCPPSA-N	685.302	5.112	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OCC)c1OCc1ccccc1Cl	409212391	LTTLAJGYIAKVQR-OKCVXOCRSA-N	529.489	6.942	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409215752	APMULWJQAACRFA-NVMNQCDNSA-N	557.300	5.759	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409217659	DZBRKGSIRZVIIG-UHFFFAOYSA-N	744.190	6.938	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1	409219746	UOAPIZDWTBXHAM-XSFVSMFZSA-N	534.410	5.719	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)c2)cc(OC)c1OC	409222275	BZJPQJWLHSOBTA-UHFFFAOYSA-N	567.598	5.256	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5cccc(OC)c5)(c5ccccc54)[C@@H]3C2=O)cc1	409223836	IUHXTKCFHRYGMN-SGOIOIHISA-N	585.660	5.451	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)/C=C/c2ccc(Cl)cc2)c1	409224242	JHLSXLRSVZDQQB-ZJRFNVSVSA-N	746.239	8.162	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409226601	VBEYEQWVHCXLQQ-FYJGNVAPSA-N	548.437	6.028	50	40	KKGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1)Nc1ccccc1	409255634	ICULFCSBZVPVIB-MZFJOGFUSA-N	547.640	6.335	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)c1	409259475	ZOIGLOLLCFQZNM-XDHOZWIPSA-N	520.383	5.335	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)c(C)c1	409263703	BRGAZNMAJBLJGN-ODLFYWEKSA-N	538.829	6.283	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccccc4OCC(=O)Nc4cccc(C)c4)cc3)cs2)cc1	409268470	UDGNLLRTSWYSBV-FZKWRIDDSA-N	575.694	6.952	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1OC	409304948	UEUHYDZTVBILAC-ZRGSRPPYSA-N	593.228	5.480	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1OCC	409315072	MZCUPIUJHIGERT-FDVSRXAVSA-N	633.293	6.426	50	40	KKGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3Cl)=C2C#N)cc1Cl	409321689	GYELZGXWJSOVBZ-ZDUSSCGKSA-N	541.254	5.475	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OCC	409323835	RDQRSNNTZLUULO-LJUMEUDFSA-N	598.494	5.735	50	40	KKGB	
CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	409330893	BVXRWQAICIBJQN-DICXZTSXSA-N	560.388	5.050	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1OCC	409331963	FIESGKRURPEHFL-MNDYBZJGSA-N	624.757	7.395	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)ccc1OCc1ccccc1	409332613	HKYSIXZSCWYQKQ-CAQPMQTCSA-N	688.394	6.721	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OCc1ccccc1	409355591	CZVYVNAZDWZWGC-CCVNUDIWSA-N	608.274	5.594	50	40	KKGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(Sc3nc(-c4ccccc4)cc(C(F)(F)F)n3)c([N+](=O)[O-])c2)cc1	409368307	XFANCRYHWNPYAH-BVMLUPFRSA-N	580.548	5.944	50	40	KKGB	
COc1ccc(Br)cc1/C=N\NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1	409372034	NYHAONKXCCZHJR-WKIKZPBSSA-N	629.758	5.215	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1	409386173	LMERJZUZZXEEGC-LDADJPATSA-N	523.948	5.450	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(OCC)c1OCc1ccc(Br)cc1	409390164	BUQLDGUCOYZVFE-HMAPJEAMSA-N	544.449	7.104	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)cc(OC)c1OC	409394887	HCUCZNLTVBBPCA-UHFFFAOYSA-N	549.583	5.844	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccccc1Cl	409395441	NOKQLLAJLXIHCV-UHFFFAOYSA-N	640.843	8.253	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4cc(Cl)cc(Cl)c4c3-c3ccccc3Cl)cc2OC)cc1OCC	409397442	JXAVUFOOLIENGW-UHFFFAOYSA-N	680.972	8.584	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397885	PATAGSKBBGJBQA-UHFFFAOYSA-N	677.926	7.783	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccco1	409398154	RGFNOSQLYIGAQE-UHFFFAOYSA-N	529.552	6.573	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)cc1OCC	409398389	SRJRNQAFQZBJEP-UHFFFAOYSA-N	590.680	6.681	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409398935	WROABKAYBDCFOP-UHFFFAOYSA-N	536.588	5.876	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409399352	ZURYQQHCFGPPSC-UHFFFAOYSA-N	561.947	7.490	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccccc1	409400043	NIVBOOWIZQTNIN-KMUKQRDJSA-N	628.523	7.380	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409403123	LXUBTTKTRAFBBF-AEVGBRMKSA-N	752.993	7.314	50	40	KKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409407467	GCWFSPJXAQVACZ-ICUTVXMZSA-N	577.729	7.284	50	40	KKGB	
COc1ccccc1NCc1nnc(SCC(=O)N/N=C/c2ccco2)n1-c1ccc(Cl)cc1Cl	695700	GDAWJRIWVGGPFC-KKMKTNMSSA-N	531.425	5.030	50	40	KKGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccco1	2056781	XSOWHOHEIIQLAI-WKULSOCRSA-N	598.247	6.220	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccco1	2202400	GLVGUFIBPFWURL-DEOSSOPVSA-N	534.037	6.010	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1	3214804	HLOJBPDVEGYJCA-BIZUNTBRSA-N	586.073	5.766	50	40	KKGB	
N#C/C(=C\c1ccc(OC(F)F)cc1OC(F)F)S(=O)(=O)c1cc(Br)ccc1Br	3301113	DKSKUGJKCNLYNZ-LFYBBSHMSA-N	559.129	5.753	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1OCc1ccc(Br)cc1	6166696	ZTDVNPCQRNQDAK-ZHSUKTGHSA-N	617.525	5.934	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)cc3)c2C)cc1	9259737	LVLUCWSXRIZLMT-RGEXLXHISA-N	511.363	5.643	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC	9909711	KMJJACXKCUITCQ-VIZOYTHASA-N	507.921	5.969	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC3=C2C(=O)CC(C)(C)C3)cc1	13167817	SILJDRJGJQNVJS-VWLOTQADSA-N	522.070	6.094	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc(OC)c1OC	53335259	AJHSZPPIMIDEPP-NUJZUDFISA-N	572.474	5.509	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1	58927671	HILPYXAQABTFQA-ZTKZIYFRSA-N	512.075	5.780	50	40	KKGB	
C[C@]12CC[C@@H](OC(=O)COc3ccc(N(CCCl)CCCl)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12	95670474	YMLNFFIBJFJMPJ-ZPDGQFLVSA-N	579.609	6.173	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2ccc(I)cc2)ccc2ccccc12	100063544	LNRPZGPAGMTOPM-MUFRIFMGSA-N	599.266	6.479	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1	100070673	AZFTXQLGVXPGQU-UCMJSZAQSA-N	606.148	5.090	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	100085365	ZRMRPJZULQHHJF-IBBHUPRXSA-N	568.017	5.739	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)NC1CCCCC1	100418927	CWKIWEFQKFAWGR-WOJGMQOQSA-N	612.249	5.831	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3ccccc3nc2-c2ccccc2)OC(N)=C(C#N)[C@H]1c1cc(OC)c(OC)c(OC)c1	100986214	XAJOCGILDCAWQG-HHHXNRCGSA-N	610.692	5.740	50	40	KKGB	
CC(C)OC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	102809327	FIVGSUDPCSZUGY-SVBPBHIXSA-N	576.074	6.021	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	102809867	VVSPRVQODTYFFU-HHHXNRCGSA-N	563.510	7.008	50	40	KKGB	
CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528496	KEUKKLBYPYKBIC-OAHLLOKOSA-N	606.342	9.985	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	103886480	LDJXFZVETGMZLR-CHHVJCJISA-N	545.204	5.571	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889325	IONAVCQAFXLWLS-YBEGLDIGSA-N	520.185	7.020	50	40	KKGB	
CCCCCCCCCCCCCCCCC/C=N\NC(=O)CCCC(=O)N/N=C\CCCCCCCCCCCCCCCCC	104081332	JSPZMVAGIHDGQK-CLUUJJAHSA-N	661.117	12.884	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)c(Cl)c1	105115967	YMROSBYQAMYBCO-VCHYOVAHSA-N	535.349	7.536	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	106100911	IDFZWVWVMLJNHT-IWIPYMOSSA-N	557.444	7.134	50	40	KKGB	
CC(=O)[C@H]1[C@H]([N+](C)(C)CCI)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118922876	OOYJKRZDSBCHSQ-DMQFDWFSSA-N	514.512	5.005	50	40	KKGB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@]2(C[C@H](Br)Cc1ccccc1)[C@@]1(C[C@H](Br)Cc2ccccc2)C(=O)[C@]2(C)CC[C@@H]1C2(C)C	150343170	DSLHNLQYIWSSJN-GTJUQWMTSA-N	696.608	9.802	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1	150385833	NENZATAKAGQNBE-LJUMEUDFSA-N	658.416	5.960	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)o1	150419950	HJDMGWFZFBQJOT-YSURURNPSA-N	665.063	5.903	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1	162481433	GSKROZFJNTURJP-XODNFHPESA-N	659.784	5.369	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795262	ITRVJOXJQVPORW-RFZPGFLSSA-N	960.007	11.242	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795464	XOXBKDJLWQMKFB-ROUUACIJSA-N	942.330	13.772	50	40	KKGB	
O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1	245239918	NHVJFBJLLBRXAC-UHFFFAOYSA-N	600.420	6.582	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(OCc3ccccc3)c(OC)c2)cc1	408540335	QHXUFYXLHZFPOB-VQNDASPWSA-N	522.645	6.960	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408541745	HLLMOVRTOCFWFP-JMIUGGIZSA-N	523.339	6.097	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1ccc2ccccc2c1	408548149	DMXUTQVYDXCYFC-QRVIBDJDSA-N	505.330	7.227	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1	408552112	OJWJUFOBQNAWPH-VIZOYTHASA-N	526.634	8.035	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)ccc4OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)cs2)cc1	408553288	NMUNPJNMRACAMH-HTVDVWKISA-N	665.002	8.604	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1	408581181	HHBPMURNLDGJNB-GZTJUZNOSA-N	534.815	5.952	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	408616146	WNJUZCYVKFHURW-XODNFHPESA-N	504.345	5.199	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408639023	DYFUTCFHXDIGFY-DUUJBTRBSA-N	722.038	7.163	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31	408643447	PLXZUPYUXYWCOO-OYZXLFCSSA-N	575.851	5.423	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408652565	PBWMGHCHTXGETP-LKNXBEMVSA-N	675.176	5.495	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccc(Cl)cc1Cl	408743304	ZTSXSJXPJMKSPW-FMFFXOCNSA-N	510.424	7.882	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1	408745663	ODBLEQMXWRCJER-UCQKPKSFSA-N	560.391	6.578	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(F)cc1	408745942	BCZIBXJOKIJQQG-YVLHZVERSA-N	560.217	6.484	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2)cc1	408757918	DTHUXQOAEPVXDE-QGOAFFKASA-N	524.314	5.065	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1cccc2ccccc12	408758508	LGXNWROPHBCGKN-HZHRSRAPSA-N	557.444	7.134	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2Br)cc1	408761166	BXURVBJMTWPGFP-JVWAILMASA-N	523.408	5.442	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl	408764712	JUIVIMGGRMKKHD-NTCAYCPXSA-N	518.334	5.215	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408765315	XRVSOSCZNBDIIJ-PXNMLYILSA-N	672.542	7.594	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)c2ccc(C(C)C)cc2)cc1	408780638	GVCZNVUBBMMFQW-JVWAILMASA-N	528.472	5.227	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)cc1	408787524	BHLYJYRYASWZJE-OEAKJJBVSA-N	610.448	6.300	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c1	408790643	TTWQMCUVMALBMB-UHFFFAOYSA-N	523.862	6.681	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)c(C)c1	408794776	KABARPCMHSUXFT-UDWIEESQSA-N	587.255	6.795	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(F)cc1	408798350	WHDDDBMBILICBS-GIJQJNRQSA-N	576.793	6.525	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OCc2ccc(Cl)cc2)c1	408826183	KWISOFPHYDZNQW-VCHYOVAHSA-N	513.377	6.144	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1ccc(C(=O)O)cc1	408839009	LOAGBVGGRWVCHD-KPGMTVGESA-N	570.074	7.077	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408841612	FOOQDKOLVIRJJZ-ROPCREHHSA-N	601.273	7.536	50	40	KKGB	
O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1	408844117	BZSANKASDGNING-MSXFZWOLSA-N	525.271	5.568	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2cc(Cl)cc(Cl)c2)cc1	408844271	VOFCSMHMZURAHP-WKULSOCRSA-N	548.492	5.682	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1cccc(C)c1	408845944	PYRHZAOOUYROCY-ODNPBWNPSA-N	626.134	7.806	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5cccc(C(=O)O)c5)o4)cc3)cs2)cc1	408847524	SPYGLPKYAMIRAK-OKCVXOCRSA-N	522.586	6.584	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1	408847560	QIZXAVSWMLQXGG-GKVNEZTPSA-N	601.548	8.291	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408856456	QDRJSOKPHKRRMR-FXMZOFOKSA-N	826.992	7.352	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)cc1	408857194	JXCUTHKEVTTXGH-DAUMYKHFSA-N	535.669	6.112	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OC(=O)c1ccccc1	408888258	YBWUXDVGDRWWCP-LICLKQGHSA-N	526.332	6.065	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c([N+](=O)[O-])c1	408899567	QKKIQDABBLPISM-CIAFOILYSA-N	635.414	6.494	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)ccc1Br	408904572	LOXUIMHXMSGZJF-BCHBDCPOSA-N	569.656	7.047	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccccc1Cl	408905150	ULBVOEQSGIMGFD-QDTIIGTASA-N	572.799	6.499	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	408923857	KQUMWKLJFNWHKH-XDJHFCHBSA-N	537.424	6.768	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(C)cc2)cc1	408924698	LRISUJRFJWUGHE-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1ccc(Br)cc1	408948594	CYQBUNLXADGFTQ-CFYHDMNJSA-N	626.510	6.569	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccc(C#N)cc2)c(OC)c1	408950332	GVZXBKHYTKYSDG-DLVDTJDKSA-N	849.420	5.075	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)OCC)cc3)c(OCC)c2)c(OC)c1	408953183	LRKAEIOTDYYPBG-HAJKSPSLSA-N	723.179	5.223	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1cccc(C)c1	408959910	ADKJTMKHQDPLIS-UVHMKAGCSA-N	538.354	5.763	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408963103	MOFXUHWJHXYGPK-KNBZMSCYSA-N	576.196	7.126	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1	408971675	LHGVGRGVSGNVKW-WTXCFUDVSA-N	713.456	7.379	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c2ccccc2)cc1	408977399	DDQFPHJACYDDSI-AYRFUNSJSA-N	546.605	5.032	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409000963	OFOMEZMKHOVVMH-YVLHZVERSA-N	625.144	7.960	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409024851	YANSEPDDTPERCC-FXMZOFOKSA-N	641.541	7.717	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409032686	MLQCOLNJLVUURN-OHUYPAJKSA-N	570.874	7.661	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl	409035609	QIBSXNKNJWTLFI-VHFSBPNMSA-N	649.372	8.713	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409042408	KQNZRHGIVRIPNG-CAQPMQTCSA-N	628.426	6.758	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409044867	DUJDQGJTYSTBBR-FYJGNVAPSA-N	547.995	5.397	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1	409048923	UOYCMBWABWTXGU-LZYBPNLTSA-N	581.091	7.643	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409053979	PHGIAXVXOLBHAS-RPPGKUMJSA-N	579.778	5.513	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1	409080020	KPTUUICCXNURQC-NTUHNPAUSA-N	608.168	7.871	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1	409087739	ZLZKQNAZKAEUNZ-RIYZIHGNSA-N	577.269	6.622	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1	409091587	ROEMDBKEZPQONU-NTEUORMPSA-N	550.262	6.853	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c2ccc(F)cc2)cc1OC	409115966	KDNSFQKFTCNVTJ-XJECJHNESA-N	721.001	6.192	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409123588	DAMQIFUNYAUVAP-PQUNFVABSA-N	694.166	5.167	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(Cl)cc1Cl	409138007	YEDZIHGHWSHRFY-AREMUKBSSA-N	649.413	7.116	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	409141062	LPEWTKMVAZBKGM-DPNNOFEESA-N	656.986	6.031	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409169546	QRRCFWOMHWGJPO-VWJSQJICSA-N	619.394	5.139	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(I)cc1	409190956	COCYPHMCRUXWEZ-YVLHZVERSA-N	581.248	5.607	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	409219390	PWXABOKNNDHNTA-CSJRQXCWSA-N	614.916	6.542	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1cccc(F)c1	409234111	LYGVPWZYEIIBSV-QLTNSANVSA-N	523.402	6.350	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1ccccc1	409234558	NSASDOCTHJNBEK-OJSPLJLUSA-N	542.804	6.308	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)c1	409249893	JIIVYCVPMZVRCS-GIJQJNRQSA-N	651.277	7.410	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)c(C)c1	409265259	UAPAPNUVEXQHQU-VCHYOVAHSA-N	601.270	6.531	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2cccc(C)c2C)c(Br)c1	409268708	XYEPFPXNIMTEGE-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1	409272259	PKKSZFWPNKTUFQ-IFBDVWKUSA-N	526.420	5.474	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc2ccccc12	409313564	CDAUUWVQRNCGFX-NDENLUEZSA-N	509.230	8.552	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OCC	409315215	INOJVSVDMQMLIJ-NTFVMDSBSA-N	509.946	5.555	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1OCC	409315478	IYFOZNFJVDWARL-MWLSYYOVSA-N	541.442	5.906	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1	409367906	JNIJASNEPNNZBY-ZMFRSBBQSA-N	555.281	5.097	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccccc1	409374358	NNRYVNGXGUNSLM-NDENLUEZSA-N	535.385	6.518	50	40	KKGB	
Cc1cccc(NC(=O)Cn2cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c3ccccc32)c1	409385550	LFMVSAVKHBZPHA-CCVNUDIWSA-N	511.563	5.475	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc(Br)cc1	409395059	JIXPQECJJFVLRU-UHFFFAOYSA-N	765.083	9.412	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc(Br)cc1	409395524	ORJSUYZYOOKVQX-UHFFFAOYSA-N	701.802	9.150	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409395982	UUNGSMNEFIJCGR-UHFFFAOYSA-N	855.161	9.438	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409398128	QWNXPIMFKMXIBA-UHFFFAOYSA-N	607.291	7.887	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409398397	STUQXXWVGYZUPD-UHFFFAOYSA-N	636.875	7.516	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(Br)cc1	409400388	CRAZXGVDCSDGTB-KOKCXWAISA-N	768.446	8.375	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1[N+](=O)[O-]	409403425	MSPXAUZQUGFDKB-XVIDZLOXSA-N	609.035	5.922	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Cl)cc1Cl	409404998	RQRRSIJEDYXTAI-UHFFFAOYSA-N	697.413	8.687	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(C#N)cc2)c(Br)c1	1529548270	BVKAGXBPMYMSCY-TXWDNMQDSA-N	741.462	5.547	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F	1529549163	UBFRNRCZYHXQJN-JKYKOXDNSA-N	645.540	5.597	50	40	KKGB	
COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1	1875114	QHAAUNVONBWPGF-SUOQOJQUSA-N	504.015	5.504	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	2327729	TYCANXIUXOVPSN-HVBJHMBASA-N	518.436	5.823	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667557	MWZTZVKFAIUFTG-HSZRJFAPSA-N	536.097	6.398	50	40	KKGB	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	4174428	YLBUNEVLWJEHOD-GNRPHOPKSA-N	569.334	5.731	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1	4196351	MJPRPMFJWFLKIE-RGVLZGJSSA-N	511.803	5.913	50	40	KKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c1C	12542897	PNBZQXWUTUPQJZ-MLJBDGAYSA-N	519.001	5.589	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1I	12590225	YNBLTIPWWKLWDN-LDADJPATSA-N	514.750	6.069	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccccc1	16158372	XUEIBFJSZSLIFT-QUPMIFSKSA-N	507.656	5.141	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	33353256	LDWUVDREUSKHHY-KPGMTVGESA-N	530.411	6.191	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1cc(Br)ccc1O	51075721	MCMJLSHBIHNZJB-ZRGSRPPYSA-N	529.847	5.449	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccccc1Cl	58985829	PGFXULOJXAPVLG-FQEVSTJZSA-N	515.795	5.330	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(C)cc1	59336545	OGJVJJNIRSJSOH-HAHDFKILSA-N	521.444	7.554	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	59647032	RBBXWBSOONZSAM-QXUDOOCXSA-N	560.529	6.487	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	59884872	DSGUEGBGYQJLNO-RWPZCVJISA-N	554.934	5.003	50	40	KKGB	
CCc1ccc(CCOc2ccc(C[C@@H](SS[C@H](Cc3ccc(OCCc4ccc(CC)cn4)cc3)C(=O)O)C(=O)O)cc2)nc1	72132684	NFIBWZBYFXKDCT-KKLWWLSJSA-N	660.858	6.917	50	40	KKGB	in-vitro
CCOc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1OCc1cccc2ccccc12	83293165	BMTSOVRJIOYGBZ-MWLSYYOVSA-N	519.395	6.050	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N/N=C/c1cccc(F)c1	95116774	OTZIHVPGDKTVDW-DPNNOFEESA-N	509.968	6.890	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(I)cc2)N1	97999659	PMLMDDZKKVJTQQ-RUZDIDTESA-N	626.545	6.368	50	40	KKGB	
COc1cc([C@H]2CC(=O)N3CN(c4ccc(Cl)c(Cl)c4)CSC3=C2C#N)ccc1OCc1ccccc1	98048438	QEYIUYKXSVMGEB-OAQYLSRUSA-N	552.483	6.800	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F	100123820	HMKUWQCWLVIOBE-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
O=C(Nc1nnc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)s1)c1cccc(C(F)(F)F)c1	100406455	KZQUGOZMDNOEQK-AITUJVMLSA-N	569.472	5.938	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1OCc1ccccc1	100851492	QRDBXRDFNWNDLJ-HNSNBQBZSA-N	590.149	6.934	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1	100896894	WFPFJPKIDKCDDC-MWLSYYOVSA-N	544.895	6.835	50	40	KKGB	
CC[C@H]1CCCCN1P(=O)(NC(=O)c1c(C)c(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n2ccccc12)N1CCCC[C@@H]1CC	102939898	NDACKXXKOCBNQJ-ZEQRLZLVSA-N	628.110	7.407	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1F	103844043	XBAXIRFEYXFIAJ-XKZIYDEJSA-N	562.439	6.313	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1	103898600	JNAKCPBXSNZVRP-NKZWWHGNSA-N	533.875	6.321	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CCc5ccccc5)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1	112255637	QQFIXNHHVBYHED-AVGBGYFGSA-N	584.632	5.189	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341910	VGGBOZHHBZFUOC-HXUWFJFHSA-N	876.505	14.476	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(I)cc1	150374312	RXWMSJAGJGOFAO-RUMWWMSVSA-N	657.961	6.803	50	40	KKGB	
CCCC[C@H](CC)C(=O)O[Si](OC(=O)[C@@H](CC)CCCC)(OC(=O)[C@H](CC)CCCC)OC(=O)[C@H](CC)CCCC	195773468	UNKOLEUDCQIVBV-HCOFYKJDSA-N	600.910	8.460	50	40	KKGB	
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)[C@@H]2CCC[C@H]2P(c2cccc3ccccc23)c2cccc3ccccc23)c1	261361392	BVCVBGLXUGAVAF-OEFLFKSQSA-N	622.773	10.350	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408539930	KPWWJNVDZYFFTM-HWIUFGAZSA-N	524.617	6.406	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Cl	408540785	VWYFAAUGUPGRPS-ZXSNDDASSA-N	571.545	8.474	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(Br)cc1	408543168	MWCRUUNMICAGTR-JAIQZWGSSA-N	557.238	6.952	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Br)cc1	408568674	VZBQBYHESCZGCH-WKULSOCRSA-N	574.313	6.499	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408570581	WYYOFJNNPKUOFC-CCVNUDIWSA-N	665.531	5.795	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)CC2=O)cc1	408601261	APRJUOUXODNMCS-MRXNPFEDSA-N	530.408	5.086	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1	408613290	YRIXPGYYWVRYSO-WKULSOCRSA-N	530.408	5.459	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408676715	MRUHSAOPPNFCQF-OCSSWDANSA-N	556.888	6.444	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408680234	FZMQWKRTVZVEME-YVSFHVDLSA-N	662.118	5.064	50	40	KKGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408727952	SURQMBAMYZOVNZ-RWPZCVJISA-N	573.414	5.507	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1	408743822	HNGGBYDDFCXXGF-WQRHYEAKSA-N	621.244	6.716	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)ccc1I	408746490	DRSPGVTZLDSNKG-KVSWJAHQSA-N	624.660	5.930	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1	408746954	ILCJXSDAFSNADJ-BJUCDSOZSA-N	574.291	7.265	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)ccc1I	408747738	SGCZIFOELKCXOJ-KKMKTNMSSA-N	613.677	6.367	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)ccc1I	408747808	UCDXCJMKLSYHBB-LUOAPIJWSA-N	634.095	6.712	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2I)c1	408751437	ZKDZLLAZVSSNHN-DXJNIWACSA-N	576.434	5.565	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1CC=C	408754928	SOYCTPDJUDKOFU-BOPFTXTBSA-N	500.190	5.498	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1cccc(C)c1	408788191	IXDNAFUBWOQFNL-WSDLNYQXSA-N	505.412	6.508	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408789739	KQMGIZVLLIEAJX-CAOOACKPSA-N	689.118	7.636	50	40	KKGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br	408790721	XXOGJUUFEWHCCF-KGENOOAVSA-N	535.394	5.516	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408791477	YBDMXOKRWRONFN-GIDUJCDVSA-N	673.088	7.393	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(I)cc2)c(I)c1	408795827	WHCWMAVNVPLJJT-VCHYOVAHSA-N	654.673	6.982	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCCc1ccccc1	408798922	GJXGNOWHPAKUQV-KOEQRZSOSA-N	511.419	6.447	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408799607	ZOWRXHMUYDOIFO-VXLYETTFSA-N	617.237	6.185	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1cccc(Cl)c1	408805939	CTMMBQLDGWSLJN-VXLYETTFSA-N	558.803	6.386	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccccc1	408825154	AKHGUAZRYADVPK-ZVHZXABRSA-N	607.921	8.749	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3F)o2)Cc2ccc(Cl)cc2Cl)cc1	408828098	LMAWULGTFNNBCK-CNCDYAKUSA-N	617.486	5.514	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408830357	PIEBWZCLNRXEFG-WSDLNYQXSA-N	730.342	8.218	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408833953	KOBGQXZGPGEJCV-YDZHTSKRSA-N	695.897	7.565	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408834896	VLSPAKKBVZMJEM-SRZZPIQSSA-N	677.209	9.766	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408835232	WUMOOUKCSZDSSX-HZHRSRAPSA-N	663.322	7.823	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	408835569	NZMFVSIHVAVSSE-KGENOOAVSA-N	567.867	7.191	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC	408837909	AQBCJCJAPQWFDQ-IZYHBKOJSA-N	722.545	5.736	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408839368	RDTXCWNFXQMBSP-QNVXDBMFSA-N	725.846	8.624	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1	408845427	GVNLESAACCOJGK-VXLYETTFSA-N	503.223	7.798	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(I)cc1	408851059	VJWDALMLQVWKSH-NVJOKUIPSA-N	684.122	6.914	50	40	KKGB	
Cc1c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccccc1Cl	408853994	VFLGOYHAFHJZRK-NUJZUDFISA-N	520.814	6.924	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408865444	ASAATYSZKDGQDN-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408886164	IOCXFZYIZPACNL-HNSNBQBZSA-N	593.905	6.466	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2-c2ccccc2)cc1	408905034	SFVCGMSILGGTDM-HPNXWYHWSA-N	598.615	7.406	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc(C)c2)c(I)c1	408925360	RMHGNCYUYCRWPA-GIJQJNRQSA-N	695.251	6.246	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1	408954317	YZMBFJOXUJVBGN-MUUNZHRXSA-N	655.546	5.052	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C#N)cc3)c(I)c2)c(OC)c1	408957379	UGEHCODAAIEIPG-DBXYLJAYSA-N	849.420	5.075	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)ccc1OS(=O)(=O)c1ccccc1	408957955	WPXOPCGSGMEZAW-ZCTHSVRISA-N	609.498	5.958	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408974398	YSTPIOMVNMWSQF-PIMODXEOSA-N	579.528	6.365	50	40	KKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c2ccccc21	408976675	BRALHTRAQVFOFL-AKPCBBCXSA-N	525.612	5.573	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc2ccccc2c1	408984477	RLICNZFQYCRMDM-ZVHZXABRSA-N	622.890	7.930	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OCc3ccccc3)c3ccccc32)c1	408989734	LVLDPTFBDHAOIF-PBGWEGILSA-N	548.647	5.017	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)c1	408991914	PFBGUQZSXVWHFZ-QEGSDMNNSA-N	637.743	7.198	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccc(C)cc5)cc4s3)c([N+](=O)[O-])c2)cc1	408993819	WZNDECTXGBOKSE-HZHRSRAPSA-N	605.701	7.771	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	408996611	JGJHOAMKLJLFAG-ATZGPIRCSA-N	677.464	5.619	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(OC)c2)cc1	409008482	WWTJMYCOKJADFM-YUMHPJSZSA-N	591.708	6.735	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409011331	HDHPLNRDMZWVIO-ORBVJSQLSA-N	733.538	7.467	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409019679	WSDBUDAQQDYTCT-CFUPAHFVSA-N	695.043	7.610	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccccc1Cl	409033831	MKGYHPVAZFSMNY-KMUKQRDJSA-N	570.476	7.950	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	409038655	ALCPGKDEHJPHRC-CXUHLZMHSA-N	555.361	6.634	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409039383	GNENFVAJCFXFHW-ZCTHSVRISA-N	506.631	7.260	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409054998	HOCTZQNOPKXXFF-FYJGNVAPSA-N	592.446	5.506	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1	409060881	YXBNQXVJHAADSJ-LQKURTRISA-N	576.900	5.009	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(Cl)cc1	409064056	FYIKJRVUUHVABN-HYARGMPZSA-N	540.969	7.611	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409086511	ZWAAURKIAHBFFP-WOJGMQOQSA-N	591.464	7.707	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Cl)cc1Cl	409094120	CCAMRUCJBBQMOV-XMMPIXPASA-N	590.257	6.680	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409116838	LYSDOGZESUDVRY-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1I	409177079	CKAXCRJRPOTZRC-WYMPLXKRSA-N	584.195	5.600	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(C)cc2)cc1OC	409184797	NQSFXTBSFWCXQK-UXHLAJHPSA-N	616.534	5.075	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1ccc(Cl)cc1	409190554	SCOSKGFRDKXDPT-KBKYJPHKSA-N	634.614	6.031	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1	409219454	QROOAOCAYNDYLZ-PPDIBHTLSA-N	536.260	5.359	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409224058	KAYPDAQCUHWCQZ-UDWIEESQSA-N	582.882	6.681	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409226219	PWIRRVNOUDOALO-BBEODDCXSA-N	602.872	6.738	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1cccc(C)c1	409232427	HQOOCSZCFPGUGB-CFKHXJFWSA-N	566.439	6.362	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)n1	409248059	FTJHUQIPDYQAQN-VFLNYLIXSA-N	525.461	6.375	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409256420	LBQZRQZVVHDCQQ-NDENLUEZSA-N	582.882	6.681	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409258679	YRJGGCKUJGZDGR-NDENLUEZSA-N	582.882	6.681	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1	409259037	YYGFXSJCEIDVGP-BCHBDCPOSA-N	600.094	6.300	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)ccc1OCc1ccccc1	409261499	DHUAANUWDPEHLV-QJOVZPHJSA-N	660.565	6.915	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)c(C)c1	409262040	CDWHSHUAPYAJES-SRZZPIQSSA-N	508.405	5.851	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1Cl	409263845	MWMJDMOJFVOSPZ-APSNUPSMSA-N	549.241	7.172	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1	409313877	JIBQAVRRXJQYIQ-MOPGFXCFSA-N	556.265	5.436	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OC	409317987	TYPORMBPNUYXPB-MNDYBZJGSA-N	542.419	5.657	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(O)c(OCC)c2)ccc1OCc1ccccc1	409319970	AEPFLPSKVQCHCL-DICXZTSXSA-N	560.388	5.137	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC	409320301	AGQTYIPAGMLAKC-DBFSUHOCSA-N	537.878	6.231	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1OCC	409327145	QIGQWCBYBSNCGK-MBTHVWNTSA-N	531.834	6.243	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1OCC	409336011	ZXEHIZLUVUJXRX-UHBFCERESA-N	512.965	5.794	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C(C)C)cc2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409367908	JOMJLPUTXORNSO-BVMLUPFRSA-N	560.547	6.383	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(Br)cc1	409371072	ANMBPYNEHNUKQD-WQRHYEAKSA-N	531.219	7.393	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	409372743	IKXCYIGNRFMXJC-AMVVHIIESA-N	558.259	7.261	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409373847	VCKOHCJLSOEGSM-VWJSQJICSA-N	602.312	7.659	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1cccc(F)c1	409393872	STWLVJXKLQMKID-XKZIYDEJSA-N	505.330	7.227	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)c1	409395507	OLSYRKJFCQCCFB-UHFFFAOYSA-N	661.350	7.660	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409399159	YCZNQNBZMCJPKD-UHFFFAOYSA-N	503.558	6.135	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Br)cc3)o2)cc1	409408633	KIIMQCVDELHFAM-HQDYHJHZSA-N	657.477	6.920	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	1529548391	FIBYNWHWANAHML-JQJFYRLNSA-N	696.440	6.764	50	40	KKGB	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@]2(C)[C@@H](/C(C)=C/C=C(/C)C(C)C)CC[C@@H]12	1560406207	LDQHQYBDQAOWFZ-OHLHJISISA-N	508.907	10.735	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl	1000434	SCBCIHRPCAAMLU-OAQYLSRUSA-N	502.398	5.933	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3C)=C(C)N2)c(OC)cc1Cl	1263490	MIRXZHPXRDLIOG-LJAQVGFWSA-N	589.117	6.372	50	40	KKGB	
C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C(=O)OCC)c1C	2398528	JPVHTGLFWRNXBI-VBKFSLOCSA-N	514.028	6.330	50	40	KKGB	
CC[C@@H](c1ccc(C)cc1)N(NC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)C(=O)c1ccccc1	3616706	QKXSNMAKUDFIRC-PMERELPUSA-N	506.646	6.173	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1cc2ccccc2cc1O	3663416	WPSPGWAXMIHLPW-ZCTHSVRISA-N	531.597	6.301	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Br)cc1)N2	6074202	ZOQLLVCOPXRYKP-YPOOPGCJSA-N	557.897	7.599	50	40	KKGB	
CC(C)CC[C@@H](Cl)COC(=O)c1ccc(CCc2ccc(C(=O)OC[C@H](Cl)CCC(C)C)cc2)cc1	8453735	FRQHIHQGHLTZNX-VSGBNLITSA-N	535.552	7.873	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	12363132	PGKCCFALWKNUBR-JVWAILMASA-N	500.467	5.150	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cccc(OCc2ccc(Br)cc2)c1	35494419	BQTFTTUDDBSDBK-QFEZKATASA-N	502.206	5.483	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)c1nc2ccccc2[nH]1	50575573	UQTUCDHEABZYJV-JJIBRWJFSA-N	511.560	7.198	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)O[C@@H]1SC	97978671	OYSKUZDIHNKWLV-BVFRDCRASA-N	663.406	6.422	50	40	KKGB	
N#Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br	98001733	GYRUPOJMHOWUDX-KVSWJAHQSA-N	636.094	5.594	50	40	KKGB	
Cc1sc([C@@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc1CN1CCOCC1	98008207	RDTZVFNOEGVYLO-DEOSSOPVSA-N	528.600	5.212	50	40	KKGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3ccc(Br)cn3)C3=C2C(=O)CCC3)c2ccccc21	98008242	IAQASUZEUUAYJA-LJAQVGFWSA-N	552.432	5.336	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	100126860	ANZYAHMGADDYPW-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccc(Br)cc1	100178464	ZAKPOLKKBDKZJR-AXBAISPRSA-N	610.895	6.069	50	40	KKGB	
CCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1	100557679	ZOTGJEMFGUOKSC-INDMIFKZSA-N	529.269	5.379	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	100859702	OJBYCCLOBUPRLD-KKMKTNMSSA-N	517.829	5.532	50	40	KKGB	
CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1	100990808	WFHBWRWVSRHTFM-OBKVJGTNSA-N	526.239	5.745	50	40	KKGB	
CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)sc2c1	102471082	QLBZDSJVCSRLHF-OQLLNIDSSA-N	588.545	5.965	50	40	KKGB	
Cc1ccc(/C=N/Nc2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	102619151	CPUSTZHJWCFXNL-LZBRRTOVSA-N	538.611	6.715	50	40	KKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1	102621557	ZMBQOGNSOSHSDM-WTDOPDLHSA-N	591.737	6.243	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2	102664754	GRHGCXCBFNFCDW-KAMYIIQDSA-N	525.970	6.171	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102810171	BNNNREMUJFUZRO-HHHXNRCGSA-N	557.607	5.749	50	40	KKGB	
N#CC(C#N)=Cc1ccc(/C=C/c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1	102939999	KQBABQKDLCLBGA-WUKNDPDISA-N	531.619	7.782	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc2ccccc12	103883424	IXQUKIRNIRIXFY-ITYLOYPMSA-N	538.047	6.337	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)OC	103890856	KVKIARLNOLFSFM-DHDCSXOGSA-N	524.198	5.582	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	103896009	JCJLEDWCGGEXGK-GRJIBALVSA-N	547.902	6.462	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	103897685	DWVKXNCYYOYRAP-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1	104315755	GQHXMIUCYRPUHP-LWTAQIOSSA-N	508.542	5.412	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2	114987572	ZUENEHGMQOSBLR-UHFFFAOYSA-N	572.840	8.796	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Br	150357890	QZYKNVQNXBVJCI-PJTITMSOSA-N	641.522	5.664	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)SC1=S)NNC(=O)c1cccc(Cl)c1	150453803	BDLQDMABUCOVJX-OCEACIFDSA-N	795.818	5.269	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	150481174	YXKKMPBZBRBPAV-BBUXEPKYSA-N	739.703	6.627	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	150634310	HYFBETRVJMYTBP-CHHVJCJISA-N	720.088	7.235	50	40	KKGB	
O[C@@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1SSc1ccc(Cl)cc1N[C@H]1CCCC[C@H]1O	254737984	BSRKUWPLOROVET-MOXQZVSFSA-N	513.556	7.224	50	40	KKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408539365	VYUACSNONVELED-ZXSNDDASSA-N	575.178	9.019	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OCC)c2)c(C#N)c1C	408547126	RLXUAPNGCPYCOV-LPYMAVHISA-N	514.603	5.801	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c([N+](=O)[O-])cc1OCc1ccccc1	408568782	KYIKSIZTRQENQD-JFLMPSFJSA-N	539.635	5.190	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cccc(Cl)c1	408599011	NPGATRQVWRTAOX-NVMNQCDNSA-N	503.621	7.508	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)C(=O)Nc1cccc(Cl)c1Cl	408607903	FOYIPQLXIJSUHN-LUOAPIJWSA-N	511.192	5.968	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(N2CCCC2)cc1	408675850	BTNBVHSQRCLFGD-AFUMVMLFSA-N	504.837	6.211	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408680231	FZMQWKRTVZVEME-NCOADZHNSA-N	662.118	5.064	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1cccc(Cl)c1	408711766	JORRJVILHTVPDD-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC)c(OCC)c2)cc1	408726031	OGMJOXMFHVOCKP-WJDWOHSUSA-N	506.340	5.033	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc(Br)c(N(C)C)c(Br)c1	408736552	CLIKBHSRZWNSGG-VOWJQMTESA-N	614.382	5.701	50	40	KKGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741717	NKRFVDFEAPTHSP-UZWMFBFFSA-N	520.976	7.137	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1Br	408741801	NUPAMFSFZZHYFM-PPOKSSTKSA-N	563.499	7.404	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c1	408746357	YOJHAPMCSFOOOQ-XKZIYDEJSA-N	670.288	7.482	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408746683	FRLXKEOTQTYEPI-GRSHGNNSSA-N	546.248	6.567	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1cccc(F)c1	408746747	GOKNCPBFHFILQA-MFOYZWKCSA-N	560.217	6.484	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408748067	XWIHCFDGYZCGSW-KYHGBAKBSA-N	659.293	6.158	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408748932	JFMSHZRVUJIAPL-VULFUBBASA-N	690.297	5.135	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408756197	YAGZDIVGVLZAAS-JEPNHJGPSA-N	720.670	7.150	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408772347	LCQKOEOMYAVUCN-MOSHPQCFSA-N	554.872	6.692	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1	408772837	NIYUDFITUNAAPR-WPWMEQJKSA-N	564.889	5.155	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)c2cccc(Cl)c2C)cc1	408776965	SOMDZEYKGMSFEB-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794187	IGMNQNYJNKPBQF-BUVRLJJBSA-N	604.419	7.134	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(C)cc1	408795096	LDTUATMCPOYBKN-VXLYETTFSA-N	558.803	6.386	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795479	LUZNPUICAOKJBG-VIZOYTHASA-N	673.088	7.393	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408799157	YFBDYJBBVXJLNL-ZVHZXABRSA-N	607.921	8.749	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OC(C)C	408806873	NLOIRRHQPCHRHV-FYJGNVAPSA-N	568.411	6.212	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1	408806973	NUFYVKWFPUTJFR-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)COc2ccc(Br)cc2)c1Cl	408811755	LWPSLOYZUYHVNE-KBKYJPHKSA-N	555.212	5.798	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Oc2ccccc2)cc1	408829309	PBJCMSFYEBOLFF-ZCTHSVRISA-N	564.063	5.628	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	408832455	WWJMJGLIRNGXAT-KBWSQYJZSA-N	534.237	6.507	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408835590	OGENQUICECUXPW-WGOQTCKBSA-N	549.583	6.616	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839254	POBLBPHDJFKUGQ-PUHLOBNQSA-N	652.947	8.765	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408840182	YHBFMHUHRSIWJJ-IZYHBKOJSA-N	691.003	8.260	50	40	KKGB	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408841251	DWBGRLCRUHCADY-UHFFFAOYSA-N	619.349	7.512	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408848291	VPSNLFWGFKBCJJ-PTEHHBOZSA-N	869.748	9.522	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1cc2ccccc2o1	408855890	HTNWWKPPJXAHLV-FXMZOFOKSA-N	508.188	7.389	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cccc(C)c2)cc1	408884211	TWUKTGNVMLBPFO-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408885058	WWYZLEBYXQXTQX-RPPGKUMJSA-N	597.101	6.326	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408886859	MRIPVIZXXZZIPG-OKCVXOCRSA-N	551.824	6.638	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408889959	LSOGNZUSZLBHAT-CXUHLZMHSA-N	606.838	5.641	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)c([N+](=O)[O-])c1	408896933	UXNJAWMPLBNETD-WOJGMQOQSA-N	508.328	5.491	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1C	408900879	YNGXXYSBSLKCQE-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408925528	RXCXZUZBNHNUMZ-MHWRWJLKSA-N	609.285	6.028	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(F)c2)c(OCC)c1	408943696	IBWNYMKGUUCKAM-LJAQVGFWSA-N	746.599	5.293	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408952103	VJBWJXFFZNWBGB-MUUNZHRXSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)c(OC)c1	408955004	OAYVJMFGMRPYEG-PDQWDMBESA-N	811.855	6.015	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br	408956458	WYVPOISVLWXSOR-LICLKQGHSA-N	529.232	5.524	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(I)cc1	408967114	PHJUYSUPYGBOGM-VFLNYLIXSA-N	577.781	5.697	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408972114	SCPHFJBWRRZUQR-RWRYAUHPSA-N	669.403	6.980	50	40	KKGB	
CC(C)Oc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408972404	SXDZYXFSLJQYHZ-SZYMHDBMSA-N	621.359	6.188	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCCOCCOc1ccccc1C	408972870	WMJRZNSRBXELKW-JJIBRWJFSA-N	535.040	6.376	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1Cl	408981689	CKUFVFHIYPSILV-JJFYIABZSA-N	521.831	8.233	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1Cl	408983365	LPCOEQBNAPZECY-SOFYXZRVSA-N	723.563	8.289	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993492	DLSRCRVYKAQAEK-YBEGLDIGSA-N	617.165	7.462	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)Cc2ccccc2F)cc1	409005717	KFNUDBLCQHKBML-BIZUNTBRSA-N	545.636	5.054	50	40	KKGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCOc1ccc(Cl)cc1Cl	409015938	PTSCKSUZZQLJGJ-IOQCEILHSA-N	554.474	5.595	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl)Nc1ccc(F)cc1	409023801	QLFKLMBKXOQNEV-NVJOKUIPSA-N	500.313	5.660	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)cc1)c1cc(-c2ccccc2)nc2ccccc12	409043029	ZAIWIRXNJNRWAN-QHDYCIAZSA-N	507.593	7.398	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409054944	HIYLRAPXELRCMT-RQZCQDPDSA-N	532.163	6.902	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409067817	ZQVSPZMGNDWJDG-RCCKNPSSSA-N	543.580	5.013	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1	409067991	FFRPYBCFMNEBPI-LFVJCYFKSA-N	512.562	5.645	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)[C@H](O)c1ccccc1	409144187	XMVYWHJTJRLBKE-TWQWOVAFSA-N	577.640	5.226	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccc(F)cc4)cc3Br)cc2c1	409186695	GOPUQIHVRXXOEH-NUJZUDFISA-N	541.373	6.085	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc5ccccc45)c(OC)c3)cc2c1	409187205	NKAVSDBHAIZBQR-KYHGBAKBSA-N	528.992	6.990	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2F)c(I)c1	409203415	XVRDBIBUCBLNGT-RPPGKUMJSA-N	554.812	5.905	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccco2)cc1	409222714	DMMJIQNZLHSHLG-MBTHVWNTSA-N	532.896	5.077	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1	409226545	UKSHUUPNJCOJNK-HMMYKYKNSA-N	519.985	5.701	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccccc1	409253567	ZVLGTYGQTKMVQB-HBAFHOPNSA-N	511.419	6.966	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1C	409260716	VGISSMLVJZGTFV-FZKWRIDDSA-N	591.693	6.652	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Br)c2)c(C)c1	409263173	AUFWWIZVFSBZAT-XDHOZWIPSA-N	538.829	6.283	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1OCC	409323565	OLGJDOWCSQAREV-FDVSRXAVSA-N	500.954	5.628	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1OCC	409324376	SHKPVNMVUOQYEC-HWIUFGAZSA-N	524.617	6.545	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1OC	409327866	XINBAPUJTQGTCM-WKIKZPBSSA-N	562.258	5.880	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409331950	IRBJIIBCCCPUBR-AEUUOICLSA-N	609.557	7.156	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409364324	OZQGJIOFPACGOZ-NTFVMDSBSA-N	587.414	5.432	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1OC	409366691	XMIORXSWJSKKHC-QDTIIGTASA-N	735.154	5.947	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2c(Cl)cccc2Cl)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409372821	RFOUCZVNQVJTAQ-NUJZUDFISA-N	532.493	5.568	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccco1	409395166	KNWNZWRXGRLAOK-UHFFFAOYSA-N	562.807	6.827	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396115	BPFQWKFZASTSBV-UHFFFAOYSA-N	616.501	7.841	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397490	KKEWZSCNGWUJIO-UHFFFAOYSA-N	547.567	5.864	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409398507	UBMWUZIFMZIDLF-UHFFFAOYSA-N	596.481	7.288	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409398963	XDANUGULVXWXNS-UHFFFAOYSA-N	608.481	8.287	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409399369	ZZNKQKLTPCBXKU-UHFFFAOYSA-N	621.690	6.859	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)o2)cc1	409403243	MFYOUYRFPYYLRZ-QMRORBIVSA-N	677.939	7.933	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409403778	NYTUEOBWNHCOPL-FRKGHFGRSA-N	711.440	9.077	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1	1529547367	KSEKISYMNUOBLF-DMFIQNIRSA-N	685.572	5.061	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1834681	DVFQQEVZWQVTKZ-STBIYBPSSA-N	528.638	5.691	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1	2696131	RLCNGZAVISYBBC-JRKWASDDSA-N	554.676	6.356	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	6073850	IHFQDNXQXWDGJI-YSUFFMFVSA-N	539.013	6.500	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	9057681	MZVQMGLJJXWGML-AREMUKBSSA-N	515.038	6.047	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccc(O)cc1	13617984	KGNPUFUNJRIXRG-DICXZTSXSA-N	512.422	5.579	50	40	KKGB	
Cc1sc2[nH]c(SC[C@H](Sc3ccc([N+](=O)[O-])cc3)[C@@H](Cl)c3ccccc3)nc(=O)c2c1C	16779207	FIWMBNMETYTHJG-ICSRJNTNSA-N	518.085	6.743	50	40	KKGB	
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	27018563	WKUQNSMPCFDIIY-YZSQISJMSA-N	501.995	6.096	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	59881794	IRKIKAXPWAMZTL-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc(Cl)c1OCc1ccccc1	97944544	LODSMSLAFLRDBH-MVLOUXRESA-N	663.558	6.549	50	40	KKGB	
CCC[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C1\C(=O)N(CCOc2ccc(C)cc2)c2ccccc21	97965288	ROAMLPVPXUHDOD-CGLBJELFSA-N	550.453	5.251	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccccc1F)c1ccccc12	98008194	QAECMLAIXIMCRC-UMSFTDKQSA-N	558.588	6.471	50	40	KKGB	
CN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	98008197	NQELPYFRYVMBSP-SSEXGKCCSA-N	526.999	6.051	50	40	KKGB	
O=C(CCCCCCCC(=O)N/N=C/c1c2ccccc2cc2ccccc12)N/N=C/c1c2ccccc2cc2ccccc12	98045799	DGZQCGQVBVEVEX-FCUXNWHZSA-N	592.743	8.631	50	40	KKGB	
C/C(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=N/NC(=O)c1ccc(Br)cc1	100034532	ZRTYEVHTWJUMSZ-YWHDFPIWSA-N	601.157	6.253	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303670	JYUKCLPHVZQVSG-HPNXWYHWSA-N	623.731	6.090	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)n2-c2ccc(OC)cc2)cc1	100858346	XBUYVQZSSIDUEH-UCMJSZAQSA-N	579.682	5.773	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(OCc4ccccc4)c3)nnc2-c2ccccc2)cc1	100859013	WXUUMPOZZLMHKM-FMFFXOCNSA-N	579.682	5.773	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)OC(N)=C(C#N)[C@@H]1c1cc(OC)c(OC)c(OC)c1	100986229	UJIRVNBTLOETSA-MHZLTWQESA-N	625.703	6.452	50	40	KKGB	
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3cc(OC)ccc3OC)=C(C)N2)c1	102808447	SOUFRDWWJBUIMV-MUUNZHRXSA-N	590.658	5.021	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3[N+](=O)[O-])sc2c1	103745953	NBFGYJZGDMTXDU-CSBVJMGMSA-N	591.498	6.979	50	40	KKGB	
CCCCCCCC[C@@H](Br)[C@H](Br)CCCCCCCC(=O)NCCCOC(C)C	104109921	VHCKCECWGTZTTG-DHIUTWEWSA-N	541.453	7.926	50	40	KKGB	
CCC1=C(C)/C(=C\c2[nH]c(C(Br)Br)c(CC)c2C)N=C1C(Br)Br	104279414	QCSOKXWJZAPINI-NTUHNPAUSA-N	571.977	7.312	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341909	VGGBOZHHBZFUOC-FQEVSTJZSA-N	876.505	14.476	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	162504119	TTWBMJYHJKCBPQ-XICOUIIWSA-N	636.170	6.370	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795478	GZWWMLGJTJVBBK-KDURUIRLSA-N	956.357	14.162	50	40	KKGB	
N#C/C(C(=O)NCCNC(=O)[C@H](C#N)C[C@@H]1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1	245241987	VVUXDMIIZAYDGC-BTMNQZDXSA-N	809.801	6.899	50	40	KKGB	
CCCCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	408539573	XQMJBOZNXBLJMB-XMHGGMMESA-N	523.393	7.753	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550412	DPGJQHPZTWUUFL-UNOMPAQXSA-N	568.413	5.742	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408567351	DAUQOXSTGBLULU-OCSSWDANSA-N	579.700	5.919	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1cccc(F)c1	408570627	XGKONWOAEMXTAN-FJEPWZHXSA-N	652.551	6.416	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408579333	FVMGLGGKBLKHFI-KEBDBYFISA-N	525.830	6.810	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408657805	JEIZVPMKALZLQL-PRCSQVBGSA-N	664.778	5.198	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(C)cc1	408677074	OWTYMHFXEGTGCC-STBIYBPSSA-N	522.443	5.709	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408682980	MCFCQWDLJXWHFA-LBCGREOCSA-N	566.677	5.183	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1ccc(C)cc1	408710675	DYHTVIKBDQDTQL-CCVNUDIWSA-N	576.285	6.270	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408726903	WKOWSJHTGSWSPQ-WQRHYEAKSA-N	603.800	6.376	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)ccc1I	408747638	QSIASHKBKKVFHM-UVHMKAGCSA-N	656.258	5.564	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	408752308	DBXRELDPCUCMQV-WKULSOCRSA-N	568.265	6.716	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(I)c1OCc1cccc2ccccc12	408765654	XACAXYLBGLQVEA-HZHRSRAPSA-N	604.444	6.976	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3Cl)c2C)ccc1I	408772372	LGWPFQXZJXHOGS-YVLHZVERSA-N	507.202	7.378	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(I)cc1	408773250	HPQANUDTKHEKNR-ODLFYWEKSA-N	558.803	6.386	50	40	KKGB	
COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)sc2c1CCCC2	408775846	SNMFIMLYTUJNEL-BOPFTXTBSA-N	528.461	6.674	50	40	KKGB	
COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)sc2c1CCCC2	408785554	HKRLOSRSOYXZOM-AQTBWJFISA-N	538.467	6.129	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1	408788323	CFARCBJZIPTECP-OEAKJJBVSA-N	571.427	6.522	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)c1C	408791134	UOUPHYBZDZPEBY-UDWIEESQSA-N	526.349	6.172	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(F)cc1	408792334	AUXJHULTFCZANM-WOJGMQOQSA-N	574.244	6.874	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)cc1	408797191	BSCXNYBXHXBCJT-CJLVFECKSA-N	507.502	5.659	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c(Br)cc1OCc1ccccc1C#N	408808453	PRAFSOYWPPVPCM-XXJUVARQSA-N	508.416	5.510	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1c(C)ccc2ccccc12	408808611	QJNSROIRRQSFEB-MFKUBSTISA-N	616.499	7.893	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)c1Cl	408814070	RDZCBJRJGPIEON-DTQAZKPQSA-N	526.420	7.350	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408819341	RJEGQLJPSWOHTD-OCKHKDLRSA-N	695.251	5.615	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccccc1	408821009	BIGRSQAEOYWJRW-WGOQTCKBSA-N	539.031	7.361	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)c(OC)cc1Cl	408825088	JEPKACBYSDINDN-CIAFOILYSA-N	533.411	7.288	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838875	JOFYHBQDXSPJBQ-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)c1ccc(OC)cc1	408839470	STPRECYRHLWRNX-XZFGXJNNSA-N	563.610	5.729	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(F)cc1	408839784	WIGLXMNBKVRAHE-XJECJHNESA-N	692.554	7.957	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1	408839955	BQGRYSCIOUIMAM-RVDKCFQWSA-N	780.323	7.526	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408840177	BTTDQYQXLQQDIT-ORBVJSQLSA-N	642.156	7.455	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cn(Cc5ccccc5Cl)c5ccccc45)cc3)cs2)cc1	408842317	IZODZPIZUATZFU-MWBNBJEGSA-N	576.125	8.282	50	40	KKGB	
O=C(NNC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408844338	NMWQDOZETGFMND-UHFFFAOYSA-N	698.245	8.275	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc(C(=O)O)cc1	408847319	UZEDUEQRZSWTNZ-HBHSWBPBSA-N	724.499	6.879	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc(C)c1OCc1ccc(F)cc1	408847480	MXKIATMSCZGKAB-LUOAPIJWSA-N	550.222	6.016	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408849042	XSUFBIVFCMNMGA-QNVXDBMFSA-N	637.976	8.865	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)cc1)c1cc2cc(Br)ccc2o1	408850203	ICPDORDZJCNUSW-ZMFRSBBQSA-N	575.200	6.143	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2ccc(F)cc2)o1	408850293	KMFYVWGJQWXLQT-NSKAYECMSA-N	521.357	5.597	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	408852088	HZVIWZQOAUDSPL-QNGOZBTKSA-N	600.018	6.889	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1	408870440	DQNLGJURRNBRAS-XICOUIIWSA-N	598.124	6.726	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408870931	XXXQDJJSQJOBRM-OAQMXIGCSA-N	739.010	7.671	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc(Cl)cc1Cl	408874605	CKYQXTBZPFPDMG-FBQLVFPNSA-N	601.312	6.852	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1Cc1cccc(F)c1	408876920	RRURQEHPKXYIOV-VCHYOVAHSA-N	513.794	6.777	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1c(C)ccc2ccccc12	408877235	UKUKRDWCCQUCLS-LPYMAVHISA-N	656.442	8.295	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Br	408880476	KCBUXINGTWVMKQ-XDHOZWIPSA-N	522.355	5.881	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2cccc(Br)c2)cc1	408881273	ISRFVASMJBBVMC-KCSSXMTESA-N	626.960	6.336	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OCc1ccc(Cl)cc1	408881488	LJBYPTDVVGGUTK-FYJGNVAPSA-N	594.836	7.231	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2I)cc1	408889046	BBHMJPPPGALSIN-RPPGKUMJSA-N	630.651	6.201	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408889610	HSJDKTJGGNPRPQ-LICLKQGHSA-N	536.242	7.824	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	408892749	CRLRFUXNRGAAHB-MDWZMJQESA-N	578.162	6.910	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408894291	HJFXUNRQHBADKY-RIYZIHGNSA-N	539.844	5.411	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408904424	JFDCGKRLZNWAJO-QDTIIGTASA-N	604.299	6.010	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408919621	ZHYXNIICGOPUSQ-MAFOTEGPSA-N	516.392	5.221	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408943169	HDINWDKAZPKAFH-MHZLTWQESA-N	761.449	5.584	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(Cl)c2)c(I)c1	408947764	OERTTXURAXVZIJ-MHZLTWQESA-N	844.897	6.013	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408954122	YMTDHAJWQROQKS-HHHXNRCGSA-N	785.342	6.982	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408969918	WVUQYDAZHURUJT-XRPGBJDZSA-N	619.332	7.205	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc(Br)c1OCc1cccc2ccccc12	408973647	NIXWKRYFNKNFIJ-DPWJMMOYSA-N	576.476	5.849	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)c1ccccc1	408978611	JJPHHHUJEVDAAU-JEWPKMHUSA-N	511.420	5.184	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc2c(c1)OCO2	408981630	CCCJPULFQSYGHW-LSCVHKIXSA-N	555.812	6.273	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC	409004296	BUONOXIOEWDWHG-NKMUIRJOSA-N	649.483	6.621	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1	409010076	JKPSNJRLMQSZMM-FOKLQQMPSA-N	525.184	5.861	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	409013400	KENQNUAYXHCMOT-JQRSWJALSA-N	560.434	5.400	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	409014131	MFGIIPKKRDLZER-NZFOHGDQSA-N	574.461	5.489	50	40	KKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409014169	FZSZUJGOQBZCJA-IVWJEFBKSA-N	650.105	6.512	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12	409017589	SIUVRQJWHYBNPQ-IIYUFLQKSA-N	542.655	5.506	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1ccc(Cl)cc1Cl	409032723	MVQQRSCHYFNABM-UGOYGOHDSA-N	611.441	5.868	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409038240	ZXGQZYKKDAYBSU-ATZGPIRCSA-N	601.501	7.798	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409065037	GTDBCQAQMGQYCD-RIYZIHGNSA-N	552.779	5.868	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccccc1F	409070860	PDKAAGXZLBDPNQ-HYARGMPZSA-N	501.514	5.986	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409081709	QHAUYHMFEIMDIW-BCHBDCPOSA-N	587.095	6.870	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409082252	RSZRTFMXQSVVPL-OVCLIPMQSA-N	557.302	5.934	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccccc1C(F)(F)F	409157720	WJJDOXUUOXNMOY-JJKQSNDFSA-N	597.377	5.517	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	409175949	FNXWNEHVZMTFBJ-KKMKTNMSSA-N	585.225	5.958	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	409225958	RROQKHNVOBADQW-WOJGMQOQSA-N	558.354	6.340	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(=O)c1ccc(Br)cc1	409226863	XLHVRKIQSUZZEY-UHFFFAOYSA-N	665.338	6.846	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1C#N	409232582	ABLLGWQTHUEIHB-RIMPEIONSA-N	530.422	6.083	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)c1	409258231	XCZMFFITLGDUIA-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409262896	JJDOVWUKQWJKBI-XKZIYDEJSA-N	609.464	6.178	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409268913	ZNOFFMBBNYCIAZ-NHDPSOOVSA-N	552.458	6.881	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(Br)c2)c1	409269560	KFIBTWNXYIXRIX-PPDIBHTLSA-N	595.675	5.655	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1OCC	409327117	QCFINLPXPOTKTK-BVMLUPFRSA-N	665.766	6.610	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409358295	LBPPLZCNMPSAJD-XKJRVUDJSA-N	530.253	6.321	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(Cl)c1Cl	409371435	FNTCPTGQADTSDQ-PPDIBHTLSA-N	589.726	5.751	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(OCc3ccc(F)cc3)cc2)c1C	409373894	WCQANZHPZWQRKV-ALQBTCKLSA-N	521.592	6.738	50	40	KKGB	
COc1ccccc1NC(=O)COc1cccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1	409375852	PZARJKHWGPPFDJ-APTWKGOFSA-N	577.666	6.344	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl	409395583	PKGYWLPTYZOSPY-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395585	PKTICMFBFJILCT-UHFFFAOYSA-N	833.973	10.719	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396135	CNWHQDSVPWJFHK-UHFFFAOYSA-N	715.815	8.948	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c[nH]c4ccc(Br)cc34)o2)cc1	409406318	BPQADGRRINRKJK-MNDYBZJGSA-N	531.410	6.274	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409406327	BTKGLEAUJPCJCD-VHFSBPNMSA-N	632.500	7.565	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Cl)c(Cl)c1	1529548726	MVJKBSDJOXVGJR-JRUUSQMTSA-N	667.615	6.186	50	40	KKGB	
COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2	1777699035	VCCMUJGGUQZUOZ-BDSCCHBESA-N	981.584	5.452	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1Br	1883959	LHJQZACABPRURB-UVHMKAGCSA-N	557.857	5.053	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Br)cc3)nnc2-c2ccccc2)cc1	2304478	IYJRUDZPDXRQRI-JVWAILMASA-N	536.455	5.338	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)nnc2-c2cccnc2)cc1	2698765	PXDVTAYGTXGTIC-BIZUNTBRSA-N	534.645	5.637	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)N/N=C/c2cc(Br)c(OCC=C)c(OC)c2)cc1OC	8496968	PLHDAHJULPQKAZ-BMNRKXRESA-N	596.276	5.026	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1	8686533	KORNCEGSYMGSJQ-RWPZCVJISA-N	527.433	5.272	50	40	KKGB	
COc1ccccc1NCc1nnc(S[C@H](C)C(=O)N/N=C(/C)c2ccc(F)cc2)n1-c1ccccc1	13882043	HUPKJNNYKSULDO-PDPJJGBVSA-N	518.618	5.048	50	40	KKGB	
O[C@H]1CCCC[C@H]1Nc1cc(Cl)ccc1SSc1ccc(Cl)cc1N[C@@H]1CCCC[C@@H]1O	16385192	BSRKUWPLOROVET-UBBRYJJRSA-N	513.556	7.224	50	40	KKGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	20348304	HUBXFECDLAYNPT-VWLOTQADSA-N	502.039	6.134	50	40	KKGB	
CC(C)(C)c1cc(/C=N\NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc(C(C)(C)C)c1O	36024697	AINGSYFHNDEZHD-ROTLSHHCSA-N	506.397	5.187	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cc(Cl)ccc2C)cc1	59652735	BTIURHYJMYOKCX-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
CCOC(=O)C1=c2s/c(=C\c3cccc(Oc4ccccc4)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(Oc2ccccc2)c1	97958170	DONZCOSUQYBLMX-FDQYQRRYSA-N	613.695	5.485	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	97980792	GQAIBJMGWNVXGQ-JFLMPSFJSA-N	572.872	5.161	50	40	KKGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)c2ccccc21	98008423	ISDHYCCWWLGPJC-WJOKGBTCSA-N	531.572	5.395	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	98048612	HGBGCJFDJJRRDC-AREMUKBSSA-N	601.050	7.275	50	40	KKGB	
N#CC1=C(N)OC2=C([C@H]1c1ccc(Br)cc1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12	100032471	JZKAFMLVJGKHPS-QFIPXVFZSA-N	538.398	5.115	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1F	100957282	WUDZHVPSKHDIPM-YVLHZVERSA-N	564.238	7.418	50	40	KKGB	
CCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	101136847	OJPWKHHDOHXTPS-YSFYHYPLSA-N	571.350	6.411	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1	103782133	GMQHRDYTTWMPCH-QNKGDIEWSA-N	566.662	5.194	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I	103860951	KYQUUSXFRBQMGB-OVCLIPMQSA-N	572.184	5.457	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	103897464	VWDZYUGSKROVMK-KCSSXMTESA-N	611.507	5.357	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342211	PVJZQFULANQOLK-UWTATZPHSA-N	942.051	11.564	50	40	KKGB	
Cc1nn(CCC#N)c2c1[P@@](=Nc1ccc(I)cc1)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2	195528974	YEHMGENHDZLQDN-VXESPCHTSA-N	656.512	7.549	50	40	KKGB	
Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)/C(=C/C#N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(O)nc1=O	263608003	SQJCSVASMHMSKO-RSBPPAONSA-N	507.780	5.017	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550020	CPGMJFJTBNBWOP-FRKPEAEDSA-N	621.771	8.346	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550694	GKHNLRLGEXFIHK-ZDLGFXPLSA-N	558.849	6.917	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408570483	VTPZXNUQTCGYAA-APSNUPSMSA-N	516.787	7.704	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408582354	NCAFILQHYMUUGZ-LICLKQGHSA-N	587.326	6.371	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408606665	ABKFKIOHRCHCMZ-IBBHUPRXSA-N	528.436	5.471	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1	408639291	FMYVYYLIUJPWQV-UCDDGIFISA-N	751.255	6.683	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1)Nc1cc(C(F)(F)F)ccc1Cl	408677612	AZPIQWSFZLPFDV-FFTGTZRRSA-N	589.781	5.124	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408710849	PRCLVNPGZHKAKA-XKJRVUDJSA-N	586.697	7.160	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br	408754513	RDAAMUXQFZEGSG-BJMVGYQFSA-N	504.993	6.073	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OCc1cccc2ccccc12	408762592	PPCDWQJNQHBAHD-WVKHYPTHSA-N	706.665	8.806	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408766795	GJUQBEFGVRENCP-OCKHKDLRSA-N	607.275	7.348	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1	408789165	OGKVKRSRKVPJGY-ZVHZXABRSA-N	588.401	6.356	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(F)cc1	408791166	VBMOENDUHSQRGR-WOJGMQOQSA-N	574.244	6.874	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(Cl)cc1Cl	408791355	WLLFEVRXKSWJPS-QGMBQPNBSA-N	594.720	8.241	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccccc1Cl	408791742	BUOAYXYZYNVBEQ-CXUHLZMHSA-N	611.636	6.971	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc2ccccc2c1	408795853	NHDXYKPHFQJRQH-WSDLNYQXSA-N	551.857	8.323	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408795964	WRNBKCBIWBANFJ-VXLYETTFSA-N	560.275	7.506	50	40	KKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408798790	WYHHIMMSGQVCHY-DEDYPNTBSA-N	507.384	5.981	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408798825	XJBGXXTVLHWSEE-LICLKQGHSA-N	513.775	5.941	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1cc2cc(Br)ccc2o1	408814032	PPIGXELZCRVMEE-SCDVKCJHSA-N	516.971	5.190	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408814263	OZCNKFARHMUUKD-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1	408821458	HQRJDCNGCWZKLC-KBVAKVRCSA-N	566.079	5.713	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408835621	OPAGOGDCPININR-KOEQRZSOSA-N	624.480	8.758	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1	408840915	GKQONUSNORXJQY-PNEAAFPUSA-N	535.647	7.949	50	40	KKGB	
COc1cc(Br)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408850082	FJIACWITTNEIKG-RHANQZHGSA-N	518.411	5.996	50	40	KKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	408851700	MULZPQRKZZUWMK-HAHDFKILSA-N	540.450	7.473	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408853526	PBTBXZOMCZNODC-MHDJOFBISA-N	615.355	7.905	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	408867912	MQSZKWHDBIPGEC-ZRGSRPPYSA-N	508.199	6.107	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cccc(Cl)c2)cc1	408873245	PMHZVRUWSGAMQP-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1Cc1ccccc1Cl	408877748	UGVYBCKRALIKNK-GIJQJNRQSA-N	577.249	7.052	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408882828	PAUOHESPTNXEPY-QCFMCPCVSA-N	619.143	6.035	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(I)c1OC(=O)c1ccc(OC)cc1	408883673	VZIHUBRIHRDWQB-CCVNUDIWSA-N	653.267	5.453	50	40	KKGB	
CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408883944	RVRFELGNXHOJRH-UDWIEESQSA-N	524.358	5.815	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408884707	UYCQZAGSTNCFJB-KULFSUQXSA-N	719.485	7.614	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c([N+](=O)[O-])c1	408886380	KKCQZYSOJLJEPK-RQZCQDPDSA-N	528.348	6.043	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408891941	WBRVMNRRJQOJPR-LFYBBSHMSA-N	623.159	6.818	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408896860	UICSXPZTFNHCRL-LHHJGKSTSA-N	754.533	7.889	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(Cl)cc1	408898547	WSMYHWDFTUFREM-WOJGMQOQSA-N	544.776	6.078	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1	408926063	WXOMYGRSAMTJLO-LGJNPRDNSA-N	516.323	5.238	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(C(=O)O)c1	408938974	HUAIRHHAGZEZBZ-NVJOKUIPSA-N	602.235	6.008	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Cl)cc1Cl	408943278	HKRLIHQZABWNGM-HKBQPEDESA-N	667.615	6.186	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(C(=O)OCC)cc1	408952672	WLPMEEKBGSYYGA-LJAQVGFWSA-N	788.515	5.852	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408961474	CLIAZDSNYMTRRW-KNBZMSCYSA-N	531.745	7.017	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1	408972257	QJGGMOUVYLGZCG-YTDNODCHSA-N	604.534	6.526	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(Br)cc1OCc1ccccc1	408978008	GRAPUMKROGXKNZ-VURDCNJBSA-N	612.521	5.597	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccccc1	408978107	HAELXVXNDLXXJN-WJAYPVQZSA-N	586.486	6.048	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408982059	FKLSNIHTCUVHRJ-YBFXNURJSA-N	570.827	6.843	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408984837	SXYGZSJFOILEFE-NVMNQCDNSA-N	512.349	6.343	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1Cl	408985204	JYWOPXWEERVGPM-YBEGLDIGSA-N	501.848	6.913	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408995743	NBFXDSOBLMXNLO-SXGWCWSVSA-N	646.988	8.933	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	408998388	QFPGGBMWPKZITR-LJUMEUDFSA-N	569.514	5.742	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1O	409014120	OYIPMUQDQAVTNB-QPSGOUHRSA-N	593.997	5.041	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)ccc1OCc1ccccc1Cl	409024932	ZIXPSJFAXQLDPE-NUJZUDFISA-N	524.802	5.759	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1cccc(C)c1	409043271	YPWDIHDWYUNTMM-OJYCWLPVSA-N	594.509	7.714	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1	409065108	HKWQWQVEWSKIQJ-XDJHFCHBSA-N	526.998	5.451	50	40	KKGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1	409068278	LBJCHTRWSIWFFH-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)Cc2c(Cl)cccc2Cl)cc1	409114341	HDTXIPCDLNZCCY-KCSSXMTESA-N	582.509	6.435	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(Br)cc1	409130115	WAJRWXQWNQXPIJ-AREMUKBSSA-N	659.419	6.572	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409130989	XOTMBFVHHRLXAW-KPGMTVGESA-N	644.537	5.972	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409170753	WZBSKXYAVQTGGQ-FJEPWZHXSA-N	601.885	5.306	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(C)cc4)c(I)c3)cc2c1	409185250	UXUYEUPLIXMCEY-MBTHVWNTSA-N	554.384	6.087	50	40	KKGB	
CCOc1ccc(NC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1	409187268	OEUWLUCHNXQFDS-WGARJPEWSA-N	547.247	6.345	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)cc2c1	409187485	RBPFIBLUMMHWSV-DLCNMLRHSA-N	576.480	7.889	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409191851	OSWZGAKYMLUYOM-KVSWJAHQSA-N	512.220	7.042	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	409223173	FJBCXQDEBKMCPS-QASNDGBQSA-N	596.086	6.389	50	40	KKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	409239304	MPKCCJBPDVHRJM-ATVHPVEESA-N	506.459	5.984	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409254798	ITIXDFDRTSJKDM-WSDLNYQXSA-N	548.437	5.315	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)c1C	409264804	QNLMZLYLCFCINC-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2C)cc1	409266195	PRZJBZIUOSZHBH-ODLFYWEKSA-N	627.289	5.870	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)c1	409267197	MINFZXBVLSPGBA-ZMFRSBBQSA-N	561.230	5.002	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OC	409301430	FPYLGOPERNNUFX-RHANQZHGSA-N	605.507	5.485	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409309412	GTPUHZONUQRQEB-NHCUHLMSSA-N	602.418	5.521	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OCC	409319437	GCBRMQWYMNMGRD-CNCDYAKUSA-N	590.891	6.700	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OCC	409320997	GETJXALZWSKPOR-UHBFCERESA-N	529.420	6.308	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c1	409371214	HBAYCBQVYKJRTC-MUFRIFMGSA-N	516.395	5.904	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(I)cc1	409371689	JYXQYFMPBKNKCU-WQRHYEAKSA-N	533.768	7.126	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1	409371931	CBKOLMIKJLFQGJ-WKULSOCRSA-N	615.265	6.558	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1	409375992	RTKNJJYYTQJYPE-KKMKTNMSSA-N	690.117	5.800	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)[nH]c12	409396582	ZEGJWCZWKYCQMB-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(C)=O	409397238	HSXFUOATYJFTFD-UHFFFAOYSA-N	565.557	5.891	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397989	PYRPISUPEBCXFK-UHFFFAOYSA-N	715.815	8.948	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409398713	VIEGTNBHXXZNOE-UHFFFAOYSA-N	592.833	6.836	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401730	ICZXEIDDKIDWIP-WBIBEUCMSA-N	655.549	7.118	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3Oc3ccc([N+](=O)[O-])cn3)o2)cc1	409402728	KTQNWITUWPSFHJ-HQDYHJHZSA-N	594.628	6.192	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)o2)cc1	409402814	LDJGRSAJDWCKSW-AEUUOICLSA-N	588.491	7.916	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n([C@@H](C)C(=O)O)c4ccccc34)o2)cc1	409403918	ONAQQJLRYGYXBQ-SQPGUAGDSA-N	538.604	5.939	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)o2)cc1	409408203	JHPTVMURUQGBMK-XJECJHNESA-N	656.489	6.740	50	40	KKGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)o2)cc1	409410337	VJJZGRZPUSZZMI-CAQPMQTCSA-N	537.572	6.077	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)CC)CC[C@]4(C)[C@@H]3CC[C@@]12C	504638846	QPRLUWUASKOVRZ-IEQZQAERSA-N	507.268	9.962	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(F)cc1	1529549024	RXPNPOCZOVHFEL-BTEHTESLSA-N	646.741	5.027	50	40	KKGB	
BrCCCCCCC1(CCCCCCBr)c2cc(Br)sc2-c2sc(Br)cc21	1857776121	CMTNJBPNMREODH-UHFFFAOYSA-N	662.189	10.292	50	40	KKGB	
O=C(NN(Cn1c(=S)sc2ccccc21)Cn1c(=S)sc2ccccc21)c1cccc([N+](=O)[O-])c1	1581996	IHFBZLJVWQBASM-UHFFFAOYSA-N	539.689	6.348	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	3304255	HOXXGJKEAICMBF-ZCTHSVRISA-N	556.047	5.757	50	40	KKGB	
CCCCCCCCOc1ccccc1/C=N/NC(=O)COc1ccc(I)cc1	8386747	ZHJNMCMSFCDOLS-KOEQRZSOSA-N	508.400	5.560	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1	15906684	FBABKUZGDOFQCZ-LFIBNONCSA-N	513.978	7.584	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	20171664	JTHBZXNZCGLGEI-RUZDIDTESA-N	520.098	6.648	50	40	KKGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c1C	20243911	YAUQFSIYWCXWKR-VULFUBBASA-N	504.881	6.451	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N\NC(=O)CSc3nc4ccccc4n3Cc3ccc(C)cc3)ccc21	51093439	BBPBWEHCKAACSS-APTWKGOFSA-N	531.685	6.763	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1	97960695	GKEIFWALEIFFOQ-BWAHOGKJSA-N	570.487	7.380	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccccc1	100287701	VUZLALDPYCATMQ-KBVAKVRCSA-N	569.058	5.241	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cc2cc(Br)ccc2o1	103879321	RZYFMCHOEQYSKQ-AUEPDCJTSA-N	533.132	5.890	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	103900408	PMMPPPXPDXWACN-KCSSXMTESA-N	562.667	5.204	50	40	KKGB	
CC[C@H](Cl)COP(=O)(OC[C@H](Cl)CC)/C(C)=C(\C)OP(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161319	UTGSMHSGIYXBKS-WUDOZTHSSA-N	594.277	8.692	50	40	KKGB	
CS/C(=N/N=C\c1ccc2ccccc2n1)SS/C(=N\N=C\c1ccc2ccccc2n1)SC	104244242	GRXWQBQCPXIESA-BGIASFGSSA-N	520.734	6.970	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	105586313	QBLFFGRACBYCMD-QXUDOOCXSA-N	537.084	8.128	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	112265122	FCMCFJZQCKRDQR-BRJLIKDPSA-N	565.751	5.204	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	157885536	JNLCIIAFJUUAAZ-MHWRWJLKSA-N	630.351	5.853	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	162450434	LULUVFLUYSPLQZ-IRWBXMRWSA-N	671.956	7.727	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2OC)ccc1OCc1ccccc1	408538607	AKZNMYFCGXPWLD-AFUMVMLFSA-N	557.002	7.488	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1ccccc1	408565861	BQJUOBHLUDCDCO-UXHLAJHPSA-N	517.423	6.273	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408568309	IWKWEYBSNWJLTP-NUJZUDFISA-N	654.979	6.540	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1	408569299	MZJHRDBLALLMQI-JFLMPSFJSA-N	590.508	5.878	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccccc1C#N	408570029	ROCYDQBTIZBUNF-OCKHKDLRSA-N	564.358	6.220	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(Cl)c1OCc1ccccc1	408608153	OPXZXJBEJXGLJR-GOSISDBHSA-N	514.409	5.467	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1	408613377	ZLQOVDKJTPMIIB-IPPBACCNSA-N	534.827	6.103	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	408615269	OFVQKROUJDVCGF-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1Cl	408652905	PCUIICVGLKWKBA-IUOSPEFCSA-N	663.577	5.665	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	408676578	KUUVZNOLGSHQTF-STBIYBPSSA-N	503.400	5.264	50	40	KKGB	
N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1	408677197	PWBWRHLRNOJQAB-STBIYBPSSA-N	503.400	5.264	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408689846	ZFGDNXPNQCJZDB-YRXWBPOGSA-N	589.111	5.473	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1	408724740	AGZKURNGPUBGRR-UZWMFBFFSA-N	578.090	5.907	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccc(-c4cccc([N+](=O)[O-])c4)o2)c1)CCCC3	408729372	BCDTVSJEDAJGRQ-UHBFCERESA-N	553.600	5.567	50	40	KKGB	
C[C@]1(C(=O)N/N=C(\COc2ccccc2)c2ccc(Br)cc2)NC2(CCCCC2)Cc2ccccc21	408734372	OXXFBNTXHDUCGE-OUHDJHQQSA-N	546.509	6.112	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc(N(C)C)cc1	408739730	DYJIFUNUTSFYTP-JBFMKSPFSA-N	577.732	8.049	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408743919	CLEZZHKYBWRKEI-SXGWCWSVSA-N	520.185	7.020	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408765414	PLBISQCZKFRKTQ-DHDCSXOGSA-N	535.214	6.863	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1c(Cl)cccc1Cl	408768927	MEXDKXLVDXBNEB-PDGQHHTCSA-N	636.317	7.187	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1	408793193	NTLDZJZOAMWNMB-GIJQJNRQSA-N	638.218	6.468	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCc1cccc2ccccc12	408822841	CDMHRWZKVAWLIU-WSDLNYQXSA-N	577.464	7.687	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1	408825432	ALGXITGMQZTNEO-KKMKTNMSSA-N	578.872	5.982	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1OC(=O)Cc1ccccc1	408837978	BBHLYGNFCVACGG-WHOOKFRRSA-N	547.611	5.649	50	40	KKGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408840179	BUAULMOZKKADDY-VFLNYLIXSA-N	599.894	6.285	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408843855	NYLPHPAKTPLNQD-KBVAKVRCSA-N	527.049	7.523	50	40	KKGB	
O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845218	PPULOTZMPUYVJZ-JFLMPSFJSA-N	508.003	5.401	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	408845282	VRFPNGATCAWZDB-RVDKCFQWSA-N	613.876	8.138	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1	408851638	DWSMBBCAMFPGDH-OJYCWLPVSA-N	690.379	8.163	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1	408852066	HQVSILRVAXSXGF-WBIBEUCMSA-N	755.369	8.144	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408857562	OHOAPVPIHITPAL-JAIQZWGSSA-N	569.286	7.082	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1	408862383	FNOCLMYSGSFVNB-RQXXSLPSSA-N	662.768	6.181	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1Cc1ccccc1Br	408865439	CNLSEKKVIIBQOD-VCHYOVAHSA-N	632.252	6.497	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408874963	GQCROVNZNJUDOY-BIZUNTBRSA-N	622.541	5.691	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408876153	NBDURZYWKZVSBF-DWGBJLHLSA-N	565.262	5.975	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1Cc1ccccc1F	408877825	XFKRKBFNUZSZGJ-CIAFOILYSA-N	554.403	6.582	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1Cl	408879560	GWLVZBMCGARDEI-GIDUJCDVSA-N	611.663	7.451	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)c1cccc2ccccc12	408880850	LAJHCIXCJHFXGR-FDAWAROLSA-N	523.386	6.739	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1Cc1cc(C)cc(C)c1	408882193	LPPYQSHELAXZND-FSJBWODESA-N	550.440	6.670	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OCc1c(Cl)cccc1Cl	408886746	ITZOGBYSAVQSQM-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)ccc1Br	408904366	IJBYARLNBUEKED-BCHBDCPOSA-N	816.013	7.306	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	408906115	APOYKVNKAJFXQH-OJANRJRPSA-N	547.453	5.260	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1	408914906	ZPYGBTRTIOCFIS-JEPNHJGPSA-N	555.461	7.112	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	408942578	GFXHZQSNYBZRIZ-HHHXNRCGSA-N	614.555	5.286	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(Br)c1	408943140	HBZKDWQQSVVBOO-MHZLTWQESA-N	689.991	5.706	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c(OC)c1	408957718	VPGVLENNJZOTLN-FKZKYSLJSA-N	822.407	5.270	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Cl)cc1	408964798	SHQZXWRNOQXCQF-VVEOGCPPSA-N	602.778	6.705	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cccc4ccccc34)cc2I)cc1	408998897	VGZRBXQSMHJTSJ-IPPBACCNSA-N	676.248	6.090	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1cc(Br)cc(Br)c1O	409022295	MHBHJVFLMIRMAH-LSFURLLWSA-N	546.693	6.547	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	409025786	WNGVAJGDRMMJHG-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1cc(-c2ccccc2)nc2ccccc12	409036870	BVDSFYHJENYUIR-UHBFCERESA-N	530.809	7.342	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1F)c1cc(-c2ccccc2)nc2ccccc12	409037081	SHRPAHFICGGGBG-OHUYPAJKSA-N	554.419	7.146	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409040866	YXXNXIHPLOOKPD-IPPBACCNSA-N	647.254	5.974	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409090063	OJSYDOXTRZRCSH-CXUHLZMHSA-N	625.297	7.382	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(F)cc1	409126675	MLTPCCDFFRETQR-QHCPKHFHSA-N	511.347	5.490	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(Br)cc1OCc1ccc(Cl)cc1Cl	409145803	RTOLUPHLLWQWMT-FQEVSTJZSA-N	536.213	5.593	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Cl)cc1Cl	409145925	RIHYNKSGRDFWKD-SANMLTNESA-N	696.413	6.958	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	409155814	CZXFVJLGARLHHO-LQKURTRISA-N	512.379	5.426	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409189832	UBTPYVJEOXTESM-PXNMLYILSA-N	524.242	6.309	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	409191322	VMUMCKCHJNUHGE-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc2ccccc2c1	409209422	FKTKBMTYZKVPBQ-OYKKKHCWSA-N	529.390	7.552	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409217572	QEUSQYVUPCHGSG-KVSWJAHQSA-N	502.854	6.892	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl	409221898	BPGSDXZRCGOCKD-LFIBNONCSA-N	500.769	6.210	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1	409223967	JOFJBVPZTISXHQ-CAQPMQTCSA-N	541.991	5.892	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Br)cc2)cc1	409226546	UQULPVASZFEVDW-MBTHVWNTSA-N	567.396	5.325	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	409227551	ZKDCRUXZNNSARH-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1cccc(C)c1	409234235	JHQVDAJMVCWCRZ-XYGWBWBKSA-N	580.466	6.233	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccccc1	409248792	QRFLCPKFRYSJKD-SBGXLDQMSA-N	504.384	5.251	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409255549	LZDBEVRIAARJST-JMIUGGIZSA-N	582.882	6.600	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c(C)c1	409260095	KPMSMNZMKFLYIH-RGVLZGJSSA-N	508.405	6.482	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409304485	RNCZDSUNDGINGH-FDVSRXAVSA-N	515.393	5.918	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409313453	PYMMCUMTLGQFQG-PKAZHMFMSA-N	517.003	5.059	50	40	KKGB	
Cc1c(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)sc2ncnc(N)c12	409333491	KDMAQDXOUWVDFB-KULFSUQXSA-N	607.537	7.233	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(Br)c1OCc1cccc2ccccc12	409364037	MWSHEUDKDUXLSR-CAQPMQTCSA-N	577.475	6.290	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1cccc(C)c1	409373892	WRDRZBKUKCJAST-DICXZTSXSA-N	573.387	5.178	50	40	KKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc1OC	409377343	GOQJFKFKEXNHOZ-SRIQITJBSA-N	534.632	5.520	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccc(Cl)cc1	409394980	IIUHQWFZGPDFBG-UHFFFAOYSA-N	720.632	9.303	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409396708	AHSDRDIIPUOMRW-UHFFFAOYSA-N	631.730	9.085	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)c1	409397366	JCOGBXQHXQXKQO-UHFFFAOYSA-N	525.967	6.919	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397535	KYSJLCCAAMAXCE-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398239	RWKNJOOKJQEIRG-UHFFFAOYSA-N	586.475	7.750	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Br)cccc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409398342	SPOFNPPQKVNYEN-UHFFFAOYSA-N	690.934	7.176	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409399286	YYDFCYOWZAYUBF-UHFFFAOYSA-N	673.463	6.550	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(C(=O)O)cc1	409403607	NNYMLCPPHRLXER-VHFSBPNMSA-N	672.532	7.078	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)cc3)o2)cc1	409405058	RXNDFKHQEDISCD-FZKWRIDDSA-N	554.046	7.262	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)o2)cc1	409405704	USXZULDBRLKQAH-AEUUOICLSA-N	677.393	8.134	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1	648523	VUSQZOHRPYPIRE-HSZRJFAPSA-N	501.384	5.176	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cc(Br)cc(Br)c1OC	679472	CFFWXMDROWVUEZ-KRWDZBQOSA-N	534.204	5.002	50	40	KKGB	
COc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)/C(C#N)=C/c4ccccc4)ccc3c2=O)cc1	1777206	VORKQXNNDDVXBV-GHRIWEEISA-N	507.420	6.125	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C(Br)=C/c3ccccc3)nnc2-c2ccc(C)cc2)cc1	1875733	RVDKWYJDBBJASJ-UMAMJFONSA-N	562.493	5.881	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)nnc2-c2ccccc2)cc1	2328964	FQPKGSNNUSHOBC-UXHLAJHPSA-N	523.618	5.434	50	40	KKGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N/N=C(/C)c1ccc(Br)cc1	8397852	INZBLDRXMNTSMB-LSWALSBFSA-N	527.492	5.168	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Br)c1	8451666	VMTIJPUZPRMTRZ-BVMLUPFRSA-N	664.365	5.829	50	40	KKGB	
COc1ccccc1[C@@H](C#N)N1CCCN([C@@H](C#N)c2ccccc2OC)C1c1ccc(N(CCCl)CCCl)cc1	19325781	FEZAROCYDWBKQZ-LSICZBSXSA-N	592.571	6.524	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	23411424	YRUSATLJQOTHIK-AWQFTUOYSA-N	508.379	5.908	50	40	KKGB	
CCCCc1ccc(NC(=O)C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1	29492245	QAFOUECPZNAUKP-CRZHZBPMSA-N	610.714	5.629	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1c(Cl)cccc1Cl	59101651	RGMFILJZODXCEH-IPPBACCNSA-N	514.409	5.677	50	40	KKGB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1	97959657	MDEMGBITUAJHKT-LGUFXXKBSA-N	537.641	6.229	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)Cc2ccccc2)cc1	100129289	NXCRAWLDBNWCMF-MNBJERMJSA-N	593.547	5.506	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(F)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100853245	RRXVUQMGOVOFHH-ZCTHSVRISA-N	531.657	6.012	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1	100989496	RLBWBWISNXIBLX-WTALZMIHSA-N	607.744	7.474	50	40	KKGB	
N#C/C(=C\C1=C(N2CCOCC2)/C(=C/c2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1	102940852	FVABYXDNFGEKKN-CEEYEILDSA-N	524.499	5.466	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528671	KRFFOJHVNCDXDW-HXUWFJFHSA-N	576.463	10.665	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccc(Cl)cc1	103754384	VRUPLBHZULKMSX-FMFFXOCNSA-N	564.070	7.173	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	103883826	ULMPFQBLUDCDOX-DIBXZPPDSA-N	585.535	7.236	50	40	KKGB	
Cc1ccc(/N=N\C(=N\NC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)cc1	104315636	ONCUOZNYVVTBQD-VGADOPFUSA-N	528.016	6.172	50	40	KKGB	
C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	104699241	KHGUXHALPFLKDE-OZRHJGIRSA-N	522.501	7.452	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	104700000	GSXOIGPDHWAJDN-BDMLMYJISA-N	561.726	8.240	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1cccc2ccccc12	109173601	FDDQIFDMKORRID-XKZIYDEJSA-N	598.522	7.548	50	40	KKGB	
CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341643	LBEVULSKVIQBOF-CQSZACIVSA-N	692.329	10.865	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c1C#N	150404168	NEAHJYRGYYJGIS-OEPDXVHDSA-N	713.430	7.587	50	40	KKGB	
O=C(CC(=O)c1cccc(NC(=O)C[C@@H](/C=C/C=C\CCCCCCCCCCCCCCCC[C@@H]2CC(=O)OC2=O)C(=O)O)c1)Nc1ccccc1	150628748	PHQNIGWHORASIQ-RIOPQSNXSA-N	728.927	9.371	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164735089	IBQVINIGVCVRRX-NVNXTCNLSA-N	646.081	7.624	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@@H]([C@@H]3ON=C(c4ccc(F)cc4)[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	226446661	MWNYMQJXYBAJDE-PJKYWEIRSA-N	631.624	6.960	50	40	KKGB	
COc1cc([C@@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Br)c1OCc1ccccc1	229880590	FWRZQYFLQSUICM-WHCXKFMVSA-N	571.519	6.903	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)ccc1OCc1ccccc1	408537932	IEQAHXSINRZHKQ-WGOQTCKBSA-N	613.508	7.560	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2Br)ccc1OCc1ccccc1	408538345	LIGLEMJOVKGXJI-WJUIDDSLSA-N	812.584	10.318	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	408539614	IRIYBBCHWNBKTJ-TZRCHIKKSA-N	665.186	8.638	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1cccc(C(=O)O)c1	408542074	GTSTZTHQBLJHHQ-JMIUGGIZSA-N	520.925	5.260	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408543176	PWCUVQAWAFHTBV-IUXPMGMMSA-N	601.207	5.943	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408567991	RGAKLVNPXRMKNS-NHDPSOOVSA-N	504.340	6.271	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2I)c1	408570367	UINJYPNPFVYILL-IUXPMGMMSA-N	635.218	6.863	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1cccc2ccccc12	408580294	NZHUUYADUYZUPU-RGVLZGJSSA-N	586.256	8.403	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	408606756	ATHKFJUXHMZPOG-LUOAPIJWSA-N	511.192	5.968	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408612966	XXXBRJGIKMBYKU-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1	408744556	MAVUDTNIFYYBTR-WQRHYEAKSA-N	776.150	7.024	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1	408745321	LNAAGYANHPTNDL-YVLHZVERSA-N	579.221	6.731	50	40	KKGB	
O=C(N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(O)(c1ccccc1)c1ccccc1	408751067	WAPKIDYLUJSURX-QHDYCIAZSA-N	509.609	6.229	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408754918	PDQIUWSKOWZQBB-FYJGNVAPSA-N	529.530	5.070	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2Br)cc1	408756725	WWNZSJCSRUMBQC-RPPGKUMJSA-N	655.415	6.140	50	40	KKGB	
CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(C(C)(C)C)c1O	408764792	NFWQEFLCEFDHMA-WJDWOHSUSA-N	502.396	6.137	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(I)c1	408773729	WYXJIGOCEGWICA-OVVQPSECSA-N	595.890	5.297	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408784600	VOUVGDKRVZDENM-APSNUPSMSA-N	559.231	6.007	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	408789332	OUFPIBXUEKMPTO-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1cccc(C)c1	408789537	JWZWYAPQMIZKTH-TURZUDJPSA-N	518.613	7.097	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1cccc(F)c1	408795022	JWLPWJOLDMHMAZ-KEBDBYFISA-N	556.375	6.180	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(C(=O)O)cc1	408798687	WNIKVZOEDJKCBH-KEBDBYFISA-N	569.839	6.633	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408803335	NRUIMRXVDGPGRD-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)Nc1ccccc1F	408809679	INUPXUQYSWGEEJ-NCELDCMTSA-N	528.543	7.404	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OC(C)C	408816659	VBZNHLSHRGSMBV-HYARGMPZSA-N	582.438	6.602	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)c2C)c(C)c1	408824851	AOHJYTGPOGDJPF-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OC(C)C)c1	408826494	JMGNHMSTERUBKX-UDWIEESQSA-N	511.405	6.914	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC	408832132	RFIZXFWLKORBJW-HYARGMPZSA-N	533.422	6.456	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCC	408833506	RRBIPCHAPQHGKO-DEDYPNTBSA-N	555.856	7.025	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)n1-c1cccc(Cl)c1	408840844	CFJCSPWFXFRSGJ-KPGMTVGESA-N	560.510	8.032	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1	408845239	LQSOJMUTMQCKLC-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(Cl)cc5)c(Br)c4)cc3)cs2)cc1	408848062	WTXLDNPBPVDILN-KVAAJVFYSA-N	631.983	8.621	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1Cl	408851592	LMKSTMJXXWZZHC-WKIKZPBSSA-N	560.775	6.042	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408859162	MFFVFPDGANYQNH-FMFFXOCNSA-N	608.116	5.672	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)c2C)c(C)c1	408863279	MSIKHIMHNVATSC-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)c2C)cc1C	408864617	XKXPHAUUXXTMSC-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1ccc(F)cc1	408882818	RCAYOIRKYNLFJJ-RQZCQDPDSA-N	653.140	7.555	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OS(=O)(=O)c1ccccc1	408890008	MMYXZQLXRDMCIC-SFQUDFHCSA-N	517.390	5.705	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	408890454	UCHVARGDYHPYLB-FOWTUZBSSA-N	517.788	5.416	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl	408892284	AJFDPAMGGSGLFZ-RVDMUPIBSA-N	552.233	6.069	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	408924696	NQMMZRXDVQMHKZ-XMHGGMMESA-N	547.976	6.023	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(=O)(=O)c3ccccc3)o2)cc1	408925093	LZLCCAWEJYREEJ-KVAAJVFYSA-N	634.032	6.141	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(C(F)(F)F)c1	408961723	DPJNRBQHOAIVGW-VPUKRXIYSA-N	590.621	7.227	50	40	KKGB	
CCCCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408972771	XASRHLMUIYLJSI-NQKIVEFXSA-N	679.439	6.979	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1cccc2ccccc12	408973526	TUKKWHFXPWUZCM-NLLYSOFASA-N	567.686	5.796	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1	408973535	TYFLBEMTNJLIHK-JIQLDHSHSA-N	615.517	6.089	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc2c(c1)OCO2	408982602	IFECLLZZSAMONM-WSVATBPTSA-N	511.361	6.164	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408998385	LRERPISIGLYWKE-RGGCDFIJSA-N	772.876	6.879	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409019597	ZVLVJRDFQMGWOV-DLDHGHKKSA-N	697.105	6.354	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)n1-c1ccccc1Br	409024307	JOMBZYCKEPTUDL-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2I)cc1	409035294	PKOXYMQTQYZTKJ-APTWKGOFSA-N	597.456	7.158	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4cccc(Cl)c4)cc3)cs2)cc1	409038542	PCNRFGMWCKBHGZ-KVAAJVFYSA-N	631.983	8.621	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)cc1	409039274	CELFOXROIBVALP-VCHYOVAHSA-N	560.231	6.667	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1)C(=O)NCc1ccccc1	409044212	UIRBQKIQYBFEIS-VXLYETTFSA-N	516.222	6.558	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409057171	JHNJARZYVXIDKZ-WKULSOCRSA-N	566.894	5.553	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409120781	TZJZUDVEOCPVPQ-KVAAJVFYSA-N	732.009	6.261	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)cc1	409153597	IIXLCGMVOQFWFC-IBBHUPRXSA-N	587.460	5.206	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)c(OCC)c2)cc1	409156064	SXUCMGBQAWEJJX-FDAWAROLSA-N	611.493	5.133	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409162514	WCQOOJJQVHORBP-RPPGKUMJSA-N	640.228	5.409	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1	409171110	ZDDIDPPWZKHTQX-XKJRVUDJSA-N	547.826	5.370	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1)Nc1ccc(Br)cc1F	409175431	RJPVPUZBKFBMKX-IPBVOBEMSA-N	582.213	5.001	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	409183597	DRMQKCSRISGNEH-FDAWAROLSA-N	614.562	5.800	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(I)cc1/C=N/NC(=O)CSc1ccc(Cl)cc1	409217538	PVLKEHZODSFPMW-KVSWJAHQSA-N	687.728	6.242	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409224292	KSOPFQPKFQKDFZ-LDADJPATSA-N	601.828	5.906	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	409226826	XHCNCHNCJLTJBS-HTDDSGLPSA-N	666.519	5.052	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1cc(C)ccc1C	409250897	NIDYSRCMRLRMCP-IDWIKUEFSA-N	595.696	6.461	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)c(C)c1	409250955	NXOMNCLGBQBCLC-DJKKODMXSA-N	631.752	7.353	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2C)cc1	409253960	HCJVAXBKYHQNKB-JAIQZWGSSA-N	641.316	6.178	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409260659	UGEIRVNPHZMDPU-FABQOPTDSA-N	596.112	7.297	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(C)c1	409262549	HVILHWFJHXLTFW-VCHYOVAHSA-N	599.279	6.097	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409263062	LJUPAXDGMXMSJR-MBTHVWNTSA-N	524.415	5.246	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(Br)c2)cc1	409269667	LHYBJZLJWQFIHR-GZTJUZNOSA-N	633.724	6.827	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OS(=O)(=O)c1ccccc1	409311066	DZLOWXKYVGXHGF-MZFJOGFUSA-N	639.524	5.967	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC	409323760	QDEBVSPAVFYADU-CAQPMQTCSA-N	531.008	6.418	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	409343749	ITSDIXZSEUUVQI-KKMKTNMSSA-N	507.215	5.897	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	409361262	BUSDIUIVCNBICG-NUJZUDFISA-N	550.280	6.599	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1	409361270	BZJIMLTXNVULOM-YUMHPJSZSA-N	528.390	5.134	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1ccc(I)cc1	409372198	FSVKSFCKSJCOQL-LQKURTRISA-N	536.369	5.796	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409372698	GXIBTPOIPWLGOL-ZRGSRPPYSA-N	581.648	6.045	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(I)c1OCc1ccc(Br)cc1	409390152	BTQOMHUBVLJGTH-UVHMKAGCSA-N	625.257	5.510	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)cc(OC)c1OC	409395652	QGJZRRNQFYHUHJ-UHFFFAOYSA-N	563.610	6.152	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl	409395788	RUCJGYQTJJJJQX-UHFFFAOYSA-N	734.203	8.798	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc(OC)c1OC	409396076	WAKVLUYQGFCTCH-UHFFFAOYSA-N	741.820	8.022	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(F)cc1	409401230	GZUULXXIPBDZLK-VHFSBPNMSA-N	693.513	7.361	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1Oc1ccc([N+](=O)[O-])cn1	409401561	HNLMGUSPSAFYDG-HTVDVWKISA-N	708.953	7.940	50	40	KKGB	
N#CC1=C(N)Oc2c3c(c4ccccc4c2[C@H]1c1ccc(F)cc1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O3	658569	BQRKXUDQBIQUQP-ZEQRLZLVSA-N	504.496	5.554	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nnc(-c4ccccc4)n3-c3ccccc3)ccc21	2322029	QKOCTYKIHNTFFE-UZWMFBFFSA-N	530.657	6.305	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(Br)cc1	3116262	XEFTXEUKDWWPJP-RWPZCVJISA-N	525.399	5.213	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2OC)cc1OC	3961570	IKEBMDPRTOKMLW-JJIBRWJFSA-N	565.622	6.638	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	6015263	IZLAFSURACTZAS-MUUNZHRXSA-N	560.075	6.308	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1OCc1ccccc1	6162851	VLHYXZJUSMMLDX-BIZUNTBRSA-N	536.657	5.915	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccc(Br)cc1	9202181	YESRURPFFHHHRV-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12	12377301	MKAMZYOTYUAOTO-MHZLTWQESA-N	500.480	5.616	50	40	KKGB	
COc1ccc2cc(/C(C)=N/NC(=O)c3ccc(COc4ccccc4-c4ccccc4)cc3)ccc2c1	12651419	NCDPDDCDHQFCAB-PPFNPFNJSA-N	500.598	7.248	50	40	KKGB	
N#C/C(=C\c1sc(N2CCCCC2)nc1-c1cccs1)C(=O)Nc1ccc(N2CCOCC2)cc1	13522611	FLUOCTLCAQZZKG-HTXNQAPBSA-N	505.669	5.244	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccccc1	19952229	CGLNZRJWALFCTH-UHFFFAOYSA-N	534.122	6.321	50	40	KKGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1	20507034	QRCQMDZUNDOFMI-RUZDIDTESA-N	524.086	6.366	50	40	KKGB	
CCOc1cc([C@@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(I)c1O	97959977	CRWMSCLITBKRTI-LDBYXDLTSA-N	542.421	5.261	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	97960750	QPFSHZSFHRLISO-DHRITJCHSA-N	544.526	8.414	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1	97960783	XZTWTQGVDUGACC-UNOMPAQXSA-N	526.228	6.645	50	40	KKGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c2ccccc21	98008240	QBLRXENRDUYGCQ-PMERELPUSA-N	540.545	6.197	50	40	KKGB	
CC(C)(C#CI)OOC(C)(C)CCC(C)(C)OOC(C)(C)C#CI	98044803	BUAWPKKRYCLQRK-UHFFFAOYSA-N	562.226	5.569	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl	100120103	YFYDSOQBIOADIZ-QLQYKETESA-N	573.568	7.620	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccccc1	100122667	ODHNHUISDASHBW-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100125615	AYEWPIIQMCMVRH-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	100142222	YMDQRFHOOVZCLO-ZMGVVAQMSA-N	613.523	5.683	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1	100216332	HRCWYWMTQPMJDE-VXLYETTFSA-N	574.244	6.162	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl	100478337	WCNZZMCDDFEIDE-BHGWPJFGSA-N	573.208	5.196	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	102245506	JKDKNFMLNWMPJD-STBIYBPSSA-N	606.527	5.928	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)c1	102719090	GEWQLWNQXJJUSP-AREMUKBSSA-N	530.675	5.772	50	40	KKGB	
O=C(COc1ccccc1Cl)NNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1	103039952	MXWIRACVOYJAMX-UHFFFAOYSA-N	584.481	5.229	50	40	KKGB	
N#CC1=C(SCC(=O)OCc2ccccc2)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1	103526641	NECLWXKSVQWBOS-JQYIIUTOSA-N	576.593	5.536	50	40	KKGB	
CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527836	IJBOBFHYUFMKPT-BYPYZUCNSA-N	602.066	7.600	50	40	KKGB	
Cc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)o2)cc1	103563830	OKTJTTQLCVQVMN-VEEOACQBSA-N	608.702	6.055	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1	103743016	WMJCRUFJIUJRLZ-JSIHEXFSSA-N	522.424	5.093	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)c(OC(=O)c2ccc(Br)cc2)c1)c1cccnc1	150352397	PBKSUVJVYYGZDK-IBBHUPRXSA-N	623.257	5.809	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(F)cc1	408555861	YWLHFJQUPSSSBT-YBFXNURJSA-N	580.479	6.924	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCc1cccc(F)c1	408579592	IHRBYWVNPAIBNR-VXLYETTFSA-N	531.219	7.393	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccccc1[N+](=O)[O-]	408598476	BGDJRITZEBHCIZ-OPEKNORGSA-N	706.072	5.909	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1cc(C(F)(F)F)ccc1Cl	408683228	HRKRJYONHNHSSU-YJEJQGFLSA-N	577.770	5.269	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1	408686969	NYQHPVCOVASMMW-LTDCPUDJSA-N	602.696	5.321	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)[C@H](c2ccccc2)C2CCCCC2)cc1Br	408722349	HNMVNTIGJFVIIN-UMFTVLFGSA-N	508.254	6.034	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)COc3cccc4cccnc34)c2-c2ccccc2)cc1	408740952	FLYKHWLGYAPDJP-RQXXSLPSSA-N	566.661	7.287	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)cc1	408745090	PHXBPEUKCSSIKC-NVMNQCDNSA-N	511.361	6.245	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408748870	IONWIQWKPTUHPU-DHRITJCHSA-N	582.270	5.060	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12	408758922	UUHHMWGQQWDMBY-KOEQRZSOSA-N	533.425	7.880	50	40	KKGB	
N#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br	408760780	FWCWDNOPOOBMKV-SDQBBNPISA-N	540.009	5.422	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C)cc1	408780187	UXPBYWFUQVYJBS-DIBXZPPDSA-N	556.504	6.321	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(I)c2)cc1C	408790795	YUZKTLJFKSMTFN-FYJGNVAPSA-N	508.359	6.033	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408795927	NQDSMJAMRPPUFO-RGVLZGJSSA-N	529.851	7.733	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Cl)c1	408797699	SOZOWDAGFRPKRX-QGMBQPNBSA-N	618.656	6.703	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl	408810487	KTFQEQUIHHXPBP-PQKVGRGHSA-N	624.568	8.840	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OCc2ccc(Cl)cc2)c1	408824392	HKKZSMOCUZUOGY-LFVJCYFKSA-N	559.449	7.706	50	40	KKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OCC	408824744	HNGYZHCNDLERIE-HZHRSRAPSA-N	500.982	6.184	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(I)c1OCc1ccc(Cl)cc1	408830244	OZRQTFJIUCZERW-GIJQJNRQSA-N	653.300	7.139	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408830269	LOFQMZSJZUKHGC-MWBNBJEGSA-N	616.061	6.592	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408830294	LYGWRYMLWZIHDL-AABVJFSESA-N	711.849	7.343	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1	408831691	UZKXTGUCURFFSK-VTNSRFBWSA-N	599.540	6.064	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2cccc(Cl)c2)cc1	408832452	WWIKRDRHXQWYSO-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Br)cn34)o2)Cc2ccc(Cl)cc2Cl)cc1	408837966	PYDYYTGKVYCRHO-DMWKKASYSA-N	689.419	6.768	50	40	KKGB	
O=C(NNC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1)c1ccc(Br)cc1	408841237	DQEGBLIHJITIJD-UHFFFAOYSA-N	528.815	5.644	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	408852289	RVHJIKXRGCUNKV-YIMMMDCSSA-N	699.849	6.146	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc(Br)ccc2o1	408855582	GKORXYKXZMSKKR-AQLQTECXSA-N	657.156	8.216	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408858774	LTAQBXOOSPPTDO-HNSNBQBZSA-N	636.568	5.999	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1Cc1cccc(F)c1	408865270	CNILFOBUAHXFDX-FRKPEAEDSA-N	534.212	7.040	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccccc1	408867858	KJCXWBSOWIOTAV-RUMWWMSVSA-N	557.672	5.182	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Br)c2)cc1	408873489	UTWMPEWPMOWWPQ-FYJGNVAPSA-N	507.359	5.901	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Br)c(Br)c1	408880822	IXJXKPUATOYWQU-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Br	408889415	GLDICMJRSFTDPB-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1Br	408894516	ILRWUDJLEKPBCE-YBFXNURJSA-N	560.275	7.588	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccc(I)cc1	408904131	FGGQPMQJZXKSIQ-QDTIIGTASA-N	734.170	7.100	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCC(=O)Nc1ccccc1	408905527	YTQANQKGRVHAEH-WKIKZPBSSA-N	637.272	5.544	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408964644	XMXDSXZWBQEHLH-BZEOHTOSSA-N	709.421	5.742	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2I)cc1	408965208	UPCFPIBZDKLYSX-XKJRVUDJSA-N	664.203	6.566	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(OC)c1	408970501	ALNJUBPBNXIYDY-YINSNBBISA-N	585.532	5.493	50	40	KKGB	
CC(C)COc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408971011	COHMHRIAYHBVBL-DYZQXNOWSA-N	556.490	5.673	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br	408981319	AGUVJPJOIOODOS-NSIKDUERSA-N	556.638	5.661	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cc(OC)ccc1OC	408984487	HQRSONUOPFUNDY-UDWIEESQSA-N	506.986	6.189	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(SCC(=O)Nc3ccc4ccccc4c3)c([N+](=O)[O-])c2)cc1Cl	408992006	PWHXKGBJGLUOFD-WSDLNYQXSA-N	557.031	6.986	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1	408993829	XBHOKEGAZKHOBM-IQIUKSJCSA-N	752.831	6.717	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1	409022199	ISSUMYIDTYXWPZ-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409024946	ZVOBPPUXLQOGKG-PPDIBHTLSA-N	562.645	6.954	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	409026196	INUOCOQTUNELIM-YIMFCOJYSA-N	622.143	6.415	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409037097	SJUDBGAAEIKNKN-UHBFCERESA-N	609.420	5.221	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409059240	VQJHEASMFTZCOB-YBFXNURJSA-N	602.407	6.738	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1)OCO3	409097815	NPHCHVVKSQFBQL-HSZRJFAPSA-N	511.759	5.628	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409117770	PCKPQUSBACHDJW-IBBHUPRXSA-N	590.916	6.869	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	409141544	ACJUHBRVSBKNHV-KCSSXMTESA-N	626.960	6.023	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	409144043	HWBKHVSLRBFQOT-XIGGFMRISA-N	634.486	5.073	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409148288	XZNXQZUWTPTVLV-ATZGPIRCSA-N	638.146	5.935	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409184976	IZAPEMBDWVSYKL-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409218452	IXKHIOZQUWNMRI-UHFFFAOYSA-N	566.570	5.537	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)cccc2[N+](=O)[O-])cc1OCC	409220212	ZIZUGXOEFNGGEX-GXBUFBABSA-N	610.623	5.936	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409242433	UXJRQTWJVKPMEY-VYYCAZPPSA-N	530.350	5.167	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	409258323	UJVAAMRNTVRDAT-APSNUPSMSA-N	648.695	6.645	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1OC	409319596	IZZNGSOVVVAHFL-MNBJERMJSA-N	547.449	6.743	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1	409324256	SSWDRPJYCBMEJF-DLCNMLRHSA-N	595.530	6.766	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(Sc3nc(-c4ccccc4)cc(C(F)(F)F)n3)c([N+](=O)[O-])c2)c1	409368936	SXJXAMJLEKOUTC-BVMLUPFRSA-N	583.548	6.003	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCC(=O)Nc1ccccc1	409371461	CNTJYSIIAIPVPW-UNOMPAQXSA-N	531.410	6.114	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(OC)c1	409371869	AUSAGMPJOFCAKA-FJEPWZHXSA-N	600.840	6.458	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	409376228	WDEWSALFWLXPRG-REZTVBANSA-N	582.225	6.246	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	409385572	LLCSPXRCLNORFT-VTNSRFBWSA-N	549.612	6.432	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)c1	409395442	NOLOWJJLZACFSG-UHFFFAOYSA-N	675.377	7.968	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccccc1	409395634	QCKHNUQTCHKDCT-UHFFFAOYSA-N	635.287	7.482	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c(-c3ccccc3)c2c1	409396295	XNMUARUMRKOBMM-UHFFFAOYSA-N	542.389	6.482	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396502	UGHRYXJNEIKEMR-UHFFFAOYSA-N	751.961	7.409	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397030	FGVNSGVPSDNQAR-UHFFFAOYSA-N	568.029	6.879	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4cc(Cl)cc(Cl)c4c3-c3ccccc3Cl)cc2OC)cc1	409397448	KAOOFDDVHWJYBV-UHFFFAOYSA-N	622.892	7.795	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397563	LFZZWVRDBORBEI-UHFFFAOYSA-N	618.473	7.151	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)c1	409399316	ZKKRZHWKVTVXDP-UHFFFAOYSA-N	552.428	6.889	50	40	KKGB	
Cc1ccccc1NC(=O)COc1cc(N(C)C)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401429	HBUOOMAVMNBTEJ-DBSPGSINSA-N	619.722	6.422	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1	409407295	ZHHAAVOSVFGQQN-GZOMZLSJSA-N	720.020	7.862	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)o2)cc1	409409679	PXKBCWFUNRLXPX-ODQASSKESA-N	735.385	7.503	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	1529544443	GGLSVYVEMGUBRV-PCRAIDQWSA-N	669.807	6.696	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc(C)c2)c(Br)c1	1529546681	GNEYHVGMPYGTIR-DGJBIAEHSA-N	651.583	5.222	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccccc1Cl	1529548445	GMJCXVVGCKBWTK-LNZKYNOCSA-N	702.027	5.575	50	40	KKGB	
C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4cccc(Cl)c4Cl)o3)c2C(N)=O)C1	1240530	MHNBABDBYLZMOL-CVCOIXHCSA-N	500.407	6.084	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	1767613	DRKTVCAGZBJALU-FOWTUZBSSA-N	535.379	6.210	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCc1c(F)cccc1Cl	1783962	XPJGEIUDXMAVIN-HBHSWBPBSA-N	591.064	5.964	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1	1864132	KBYARBJYGXPWCE-XODNFHPESA-N	591.318	6.255	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	3232225	YXSLGGCIXOGEIO-LICLKQGHSA-N	515.780	6.558	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(Cl)cc3)cc2)sc2c1CC[C@H](C)C2	6167101	QAFLMJYENCCNIA-ZALOIUACSA-N	568.095	5.873	50	40	KKGB	
Cc1ccc(NC(=S)NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1	8985958	CVSYHCZLOJPOTF-UHFFFAOYSA-N	515.108	5.522	50	40	KKGB	
CCCCCCOc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC	31858923	XSRYFRVNJITPQC-KRDLZBRLSA-N	510.660	5.016	50	40	KKGB	
CO/C(O)=C(C(=N\C(=O)OCc1ccccc1)\SC)/[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97982953	CYGVIFHZCLMIIX-UHFFFAOYSA-O	542.617	6.452	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(Cl)cc3Cl)=C(C)N2)cc1	98048509	CKSDUDOFJVNUBD-AREMUKBSSA-N	567.498	6.855	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)c1C	100097882	BWIPWNRVJASVKW-DPZBCOQUSA-N	606.091	6.562	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)c1	100122957	NSTZRUAATYJBRW-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	100398565	GGTYPLKZSOKWJC-LVCYWYKZSA-N	556.273	6.060	50	40	KKGB	
CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	100557615	PHJRZLMQTWPBTR-RFOVXIPZSA-N	569.334	6.015	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc(Br)c1O	100858483	DYKVEPJHONILFB-GATIEOLUSA-N	575.535	5.703	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C1CCN(Cc2ccc(Br)cc2)CC1	101664581	HEAGBKLKWTXRMD-MZJWZYIUSA-N	545.821	5.633	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc2c(c1)Nc1ccccc1S2	102979756	QQSXRKCSEURQKC-WCMJOSRZSA-N	583.522	7.156	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(I)cc1	104402192	LSRVUFHZHQAYEF-UVHMKAGCSA-N	613.677	6.449	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2cc(Cl)cc(Cl)c2)cc1	104705410	XUCUYXGRGOQKKD-UHFFFAOYSA-N	552.568	7.274	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	105627077	YPZBJRSUJUTNKI-MNBJERMJSA-N	597.540	5.137	50	40	KKGB	
CCCCC[C@H](Br)[C@@H](Br)C[C@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)CCCCC(=O)O	150387350	FORAJHFPTGBBRG-FHULIHMCSA-N	757.860	8.573	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795332	CXHZHCYYBOMBEQ-IUCAKERBSA-N	916.101	11.531	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2OCC)ccc1OCc1ccccc1	408538451	NAJQODDZGBROGC-YSMPRRRNSA-N	672.532	7.858	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OCC	408539939	KSZASLDORYMNAZ-YQYKVWLJSA-N	539.514	7.433	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408540953	DEJBRYCEMGUXLZ-OCKHKDLRSA-N	547.232	7.496	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408548082	DBEIWMIFFAYPOW-KSEXSDGBSA-N	515.363	7.162	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408599292	SAJBKLVIDZPZFI-JFLMPSFJSA-N	510.388	5.998	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1	408609095	JJNYUJXQINEERX-MUFRIFMGSA-N	538.442	5.250	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	408644299	QWIOQKIPJHPWPW-RDGPPVDQSA-N	645.175	5.772	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408689482	YGYJMLYORZAUCW-GFBDQPOWSA-N	645.573	5.438	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1cccc2ccccc12	408743856	VTCZQKGUIYVDEM-HMAPJEAMSA-N	513.391	6.736	50	40	KKGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Br)c1	408752551	BPFKJIMKTBJXEX-WGOQTCKBSA-N	509.381	5.134	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)Nc1ccc(Cl)c(Cl)c1	408754464	NNWGGVLXZRRGHW-RPPGKUMJSA-N	521.198	5.537	50	40	KKGB	
CC(=O)Oc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1Br	408763328	SBDYWZJSRPVAGF-WUXMJOGZSA-N	543.009	5.445	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)cc1	408766763	ROOZRVLCBDQEFC-MFOYZWKCSA-N	576.672	6.998	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O	408783356	KOURXLPWYLPZKK-NJZRLIGZSA-N	548.064	5.904	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408784601	VPPQVBTUKODUQA-AQTBWJFISA-N	517.498	5.306	50	40	KKGB	
C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1cccc(I)c1	408788978	GVFUKEWYWUAMBG-JOWQQVNMSA-N	555.441	5.219	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(C)cc1	408792228	JTGLQRJZBVKYRC-YDZHTSKRSA-N	566.439	6.740	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccccc1Cl	408792333	ALUFXGDTLUXZSD-LZYBPNLTSA-N	591.643	6.898	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1C#N	408792565	AZBFDOSCGQGBTK-QGMBQPNBSA-N	604.231	6.603	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792882	LZESCTKKERTYHS-XIEYBQDHSA-N	505.530	6.298	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1	408794441	JDROTGZGGMTKJS-DEDYPNTBSA-N	523.358	5.890	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I	408796307	NPCNCSAMPGXMRE-LZYBPNLTSA-N	630.220	5.000	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc2ccccc12	408814731	GKCLLBIGSQJCLC-JLPGSUDCSA-N	541.420	7.595	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1ccccc1F	408816196	KWQRIRGCGTYHCJ-MTJSOVHGSA-N	674.251	7.313	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1	408816582	UDGIVOVUJLFZFN-FYJGNVAPSA-N	525.390	5.239	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c(OC)cc1Cl	408824551	QXZMTZSWYMGZPY-RQZCQDPDSA-N	562.247	6.898	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1	408826857	LMAYTKMQVQYSQY-RGEXLXHISA-N	679.807	7.939	50	40	KKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Br	408829861	NIAOAOYTFSIPTM-DEDYPNTBSA-N	525.830	7.014	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408831567	REUYLLUFFLJSJC-VQWGYEAZSA-N	783.528	8.512	50	40	KKGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408832941	SHFAIIHASGIAJB-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1	408835593	OHCZTMNNGSWJRH-SSDVNMTOSA-N	672.790	9.122	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1O	408844612	OYGPNOUJVHWHCL-CCVNUDIWSA-N	551.466	6.493	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408848611	XJLYCHIJHSRRHZ-ZHSUKTGHSA-N	634.036	7.138	50	40	KKGB	
COc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C	408854585	IXWQMIQFIWGULE-CAQPMQTCSA-N	555.704	6.759	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408862002	CIGKSRCHVIIJPI-MWBNBJEGSA-N	685.040	6.961	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2ccc(C)cc2)cc1Br	408863722	QFTQXLQIXCWMHH-FQYGQZBOSA-N	693.620	5.368	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc([N+](=O)[O-])ccc1O	408865772	FLDNHIYPSPYKLK-MRUKODCESA-N	539.169	5.713	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	408867836	MEFMOJOPGUHBBA-XSFVSMFZSA-N	517.463	6.891	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c(Br)c1	408883460	SVGOOOKIWSXGTQ-RQZCQDPDSA-N	595.118	7.952	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408886131	IFYQOMDSESBGDX-GZTJUZNOSA-N	545.806	6.819	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OC(=O)c1cccc2ccccc12	408886667	IBVFUIULUYDSOS-STBIYBPSSA-N	564.379	5.826	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCc1ccccc1	408890082	NNASKKOVPIJYAM-VXLYETTFSA-N	522.355	5.799	50	40	KKGB	
N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccc(I)cc1	408890113	OAWCCYRHWCWOJU-LDADJPATSA-N	519.342	5.897	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OS(=O)(=O)c1ccccc1	408896949	PECQIALXJPEWJT-GZTJUZNOSA-N	699.215	6.995	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1	408898166	VILNUDQJPQTRTF-XSFVSMFZSA-N	632.476	5.710	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OCc1ccc(C)cc1	408900645	XFLBGMMYHFPSHV-KEBDBYFISA-N	583.382	5.950	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408904339	IAGLQIVADQVQMB-ULPWCQAASA-N	654.244	6.994	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1F	408925712	TUEPSEPSZCMSQH-YBFXNURJSA-N	539.357	5.810	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1	408938425	HTVJLGCNTQUPRS-CKJBABAKSA-N	549.674	8.257	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408943166	HDINWDKAZPKAFH-HHHXNRCGSA-N	761.449	5.584	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)c(OC)c1	408952604	KTIYOGUWJOTLCV-HVJLQFNCSA-N	748.400	5.658	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(C(=O)O)c1	408956228	ZEPGWXUKYBHDGC-DBFSUHOCSA-N	616.262	6.398	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	408969551	PZSDLXRFISFJRB-KOPMUBDUSA-N	624.952	6.871	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1	408971592	JSKGLJAJOGBMCN-JLPGSUDCSA-N	537.012	6.802	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408973388	YTROPBUYQMAZHY-XSJVISIOSA-N	558.506	6.384	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	408973809	VHXGYJJCJXEFIE-MOUCIZBNSA-N	747.901	8.032	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c2ccccc2)cc1	408981205	VGJCHALKIGSCFT-FFWKWCQCSA-N	624.532	6.036	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1cccc(F)c1	408981292	VQDAMZZWHOFRPC-IADOGKPESA-N	575.662	5.282	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(OC)cc1	409000209	XRTBQDRDAKSXLQ-BIZUNTBRSA-N	582.569	5.238	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409009459	ACGRZXCTBBOMLF-YSURURNPSA-N	634.062	5.900	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409033797	LVJXJAOZUCGXNB-DLCNMLRHSA-N	649.770	8.423	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	409042483	XOXYHYCKZHETLR-RDRPBHBLSA-N	500.624	6.505	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409042973	MAPMIFNHPGEMFN-HASSKWOGSA-N	665.385	8.923	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1nc2ccccc2[nH]1	409066440	OSGVIKNDQDOJDE-RQZCQDPDSA-N	553.210	6.429	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	409081379	PUJWZZSLCLWMKA-OVCLIPMQSA-N	625.195	7.785	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	409117238	XDYZGXJVBDUCSK-HNSNBQBZSA-N	703.986	6.268	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409127901	DEDYQAOOSASVPV-KVAAJVFYSA-N	675.591	5.781	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Cl	409182642	MJOZQXMPJVKPEP-WKULSOCRSA-N	529.862	6.390	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409184895	IKYNRPWGSOJRTD-ODQASSKESA-N	739.903	7.959	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	409185132	JPCPZWCJGVRAPA-PNQUVVCRSA-N	578.827	6.320	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409208529	CRRIGRIGOFUQKM-YVLHZVERSA-N	526.318	5.587	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OC(=O)c2ccc(Cl)cc2Cl)c1	409219242	OSOLAOZPRSASFB-UHFFFAOYSA-N	596.854	6.891	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12)c1ccc(Cl)cc1	409219838	QVKNIPIWEGSPHW-AXBAISPRSA-N	549.989	5.446	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccccc2Cl)c(I)c1	409221056	KDJMATYLNOCNCS-ZMFRSBBQSA-N	522.745	5.356	50	40	KKGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cccc2[N+](=O)[O-])cc(OC)c1OC	409222405	CRCXYHMTNSKFSA-FZPRHHONSA-N	633.013	5.509	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409227053	XGCFWQDGJNFKLL-UHFFFAOYSA-N	541.947	5.304	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409235164	APHWPYFOXAJWCU-BKUYFWCQSA-N	572.272	6.586	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409241781	UUEBNRVOBGXOSO-MNDYBZJGSA-N	570.256	6.776	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Cl)ccc4OCC(=O)Nc4cccc(C)c4C)cc3)cs2)cc1	409255099	ZDYCORNQGBSUDX-VHFSBPNMSA-N	624.166	7.914	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409263536	HNADCSJOWLSUOE-ODQASSKESA-N	772.452	8.255	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409264336	DQMGYJFWNTVGBA-FDVSRXAVSA-N	538.442	5.554	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)cc(Br)c4OCC(=O)Nc4ccc(Cl)cc4)cc3)cs2)cc1	409268606	WMTLMCWOOFPYDG-HTVDVWKISA-N	753.904	8.822	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)ccc1OC	409313344	BOPGJHDRDSNDBO-BVMLUPFRSA-N	665.912	5.840	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)ccc1OCc1ccccc1	409318600	YWZSEAAEYCTSMB-BJUCDSOZSA-N	553.417	7.063	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1OCC	409326174	HUAZYBHBWDHVSE-LJUMEUDFSA-N	636.914	6.874	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)cc(Br)c1OCc1cccc2ccccc12	409368153	NMWNMPGZSOUZIT-RWPZCVJISA-N	505.368	5.659	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2F)cc1	409370418	QMYKYZHOLHZVMI-PDGQHHTCSA-N	508.347	5.460	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(Br)cc1	409374647	VSFRNSJFBXJYOQ-ZDLGFXPLSA-N	600.254	6.890	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409386307	PIWUDTOIFRGBIK-VWJSQJICSA-N	593.492	7.867	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409387902	YEONDNSENBRDRM-IBBHUPRXSA-N	584.481	7.586	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)cc1	409394725	FDIKMLCWAYHWEI-UHFFFAOYSA-N	519.557	5.835	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)c1	409394848	GQUHFSXYFXWUCI-UHFFFAOYSA-N	580.482	7.506	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1	409397849	OQGXTSSRMQSCNR-UHFFFAOYSA-N	574.036	7.633	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398117	QSYNZMVKSMZDHF-UHFFFAOYSA-N	684.317	7.738	50	40	KKGB	
C#CCOc1cc(N(C)C)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409399944	AJRMFMYYHUDNAW-DXJNIWACSA-N	510.594	5.108	50	40	KKGB	
C[C@@H](C(=O)OCC(=O)OCCCCCC(=O)OCCCCO[N+](=O)[O-])c1ccc2cc(OC(=O)CCCCCBr)ccc2c1	2060989994	XRWYTLULRCQRON-HSZRJFAPSA-N	682.561	5.983	50	40	KKGB	
CCCCC[C@H](/C=C/C=C\CCCCCCCC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1)OO	2061000796	GXHCTYFXBSGOGT-FWRRVCKMSA-N	681.099	13.221	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	1445610	XNTSLWBITKQXDK-XMMPIXPASA-N	508.018	5.615	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl	2233286	REIMKWPLWXJDRV-KKMKTNMSSA-N	517.825	5.588	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCCOc2ccc(Br)cc2)c(OC)c1	2305414	APQHMDCKNSGBBK-XNTDXEJSSA-N	525.193	5.148	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1	3083417	VOCOSBKGRYBQDJ-IHQYTQDJSA-N	574.456	5.651	50	40	KKGB	
Cc1cc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)C3=C(CCCC3=O)N2)ccc1Br	3277105	LGVNCBXAJXAJEU-QHCPKHFHSA-N	526.431	5.698	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1OCc1ccccc1	3279202	SIGCHSNTHZGGOC-UZWMFBFFSA-N	557.672	5.167	50	40	KKGB	
CCOc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(C)cc3)C3=C2C[C@@H](c2ccccc2)CC3=O)c([N+](=O)[O-])c1	8456158	MVELHYCXIJRZAD-KPURRNSFSA-N	520.589	6.000	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1	20206913	WRGHRRARZDDCQB-OGLMXYFKSA-N	514.047	5.091	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)o2)c(C(=O)OCC)c1C	33645230	AOZDMFVYYYUOGT-FOWTUZBSSA-N	521.547	5.087	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(C#N)c1C	33779115	LSPOWTNPTUONSE-RGVLZGJSSA-N	504.995	6.056	50	40	KKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](Br)[C@H](Br)c2ccccc2)cc1/C=C\c1ccccc1	68564666	XSGGGUXVTDBRJI-COZHZMBOSA-N	532.188	7.246	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccc([N+](=O)[O-])c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	97939489	ABLAIYCUKAAJCV-FSGOGVSDSA-N	558.664	5.781	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)=C(C#N)[C@@H]1c1ccco1	97999949	OAOQPBPRJNQDBA-WJOKGBTCSA-N	592.677	6.787	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)c1cccc2ccccc12	100853795	UFDAMCYJFSXGKV-UXHLAJHPSA-N	557.477	5.878	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1	101710747	OEVJFAWUTBXPBT-BUVRLJJBSA-N	541.445	7.298	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)c2nc3ccccc3s2)cc1I	101853697	MEZZUEIRODYSGZ-KPKJPENVSA-N	558.182	5.968	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)cc1	102418534	UFMMRSSYTRVQDT-DPZBCOQUSA-N	622.090	6.344	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccco1	102760749	BJFBEZPRPZGZBL-RUZDIDTESA-N	563.035	5.426	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)c1	102810034	XGXWVSUOODBDQM-NDEPHWFRSA-N	540.645	5.410	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)c1	103901795	KQFUBOWXUASOFO-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl	104953402	UXGSHAYTMWXAQO-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1Cl	104953727	GDWJNMLPJZHPCK-LZYBPNLTSA-N	522.215	7.433	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	150423752	LMYXXEXHSQZSHF-ODNPBWNPSA-N	646.087	6.682	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Br)cc1)N2	150434669	ITEUNMLJIJCQRD-ZHQYQSJASA-N	694.003	8.402	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	162447721	ZWDPAJNCJGRHEU-KCSSXMTESA-N	639.572	5.528	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408526527	CWSXKYYGGNATJE-DHRITJCHSA-N	612.205	5.004	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408537710	GYRSGOPOMUZQHV-PCLIKHOPSA-N	536.584	6.113	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	408538568	AASPSFSWFLHEEC-VHFSBPNMSA-N	583.006	7.679	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408555076	VIUYBXCFTDABJZ-UDWIEESQSA-N	666.541	6.373	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1Cl	408567572	OPWLPWCVGBMIPR-UUASQNMZSA-N	594.211	7.265	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408567948	HBUJQJLRWVZGBV-MFOYZWKCSA-N	535.373	5.863	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Cl)cc1Cl	408579761	JZCREZDGIUYPFD-UDWIEESQSA-N	509.230	8.552	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Cl)c3)CC2=O)cc1	408601426	AWYSYMMAILNIFP-GOSISDBHSA-N	514.409	5.467	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3c(Cl)cccc3Cl)CC2=O)cc1	408606062	LHIMXPVRVMLPEZ-INIZCTEOSA-N	518.828	6.030	50	40	KKGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741388	IPNDVZPKRQKUMD-AFPKEZMJSA-N	537.623	6.566	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(O)c(I)c1)C(=O)Nc1ccc(Br)cc1	408745031	OVKUJWMVWRCDPR-YHYXMXQVSA-N	547.972	5.067	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(Br)cc1	408748088	YFXYPPZQGWSPSU-SXGWCWSVSA-N	719.542	7.436	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OCc1cccc2ccccc12	408748522	DMCHELCXHMGIKW-WCMJOSRZSA-N	653.567	7.274	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc(Cl)cc1	408766285	BKRUKGAEBUJEOB-ULPWCQAASA-N	541.751	6.473	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1I	408766958	XTYUMADEOQLPFT-ATVHPVEESA-N	557.775	5.508	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408789674	QWNBWKXPWKAWSX-LICLKQGHSA-N	502.195	6.881	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1ccc(C)cc1	408793675	PXCOKJILVMFWHY-OEAKJJBVSA-N	519.439	6.843	50	40	KKGB	
COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I	408794921	KOKVBHSEUIDBFI-VGOFMYFVSA-N	511.157	5.225	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408794940	JRITZZSPHFCBMV-GIDUJCDVSA-N	615.536	8.296	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408798045	UKEXZSUHXAMFSQ-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccccc1F	408813121	ODVABRDPFACLCK-MTJSOVHGSA-N	580.251	7.629	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1	408828246	JHNKJLQHZBKHNA-UVHMKAGCSA-N	533.875	6.241	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408828321	MAPVPLXKVXDCBL-FDAWAROLSA-N	552.027	5.404	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408835352	XHOGFJRZGPNABM-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408838307	DIHQLUYAZKNMCP-RPPGKUMJSA-N	557.813	6.242	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)ccc4OC(=O)c4ccco4)cc3)sc2c1	408840282	AGJDBHWGIJEVTO-VWJSQJICSA-N	636.911	7.454	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408844237	CQPHGZPHOAUJER-FDVSRXAVSA-N	533.378	5.965	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1	408845258	PTIKRKUUCLECOS-KCSSXMTESA-N	586.442	6.002	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1	408847258	UMSSZTMICBLDFR-FDAWAROLSA-N	511.965	5.884	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1cccc2ccccc12	408855372	CPMSUGUYYXJNBV-FYJGNVAPSA-N	531.381	6.875	50	40	KKGB	
N#C/C(=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	408857925	QFVCEUVVWSZMTD-ULJHMMPZSA-N	516.557	6.074	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cc(C)ccc2C)cc1	408863043	OOKBOAWBOJCPGQ-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccccc2C)cc1	408865756	FEUIQPRTRGZNJW-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)c(OC)c1	408869926	QXUYLYJWJUHNQM-CIAFOILYSA-N	537.410	5.277	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1	408887259	NGIYNIJUWKLIQV-DEDYPNTBSA-N	555.450	5.642	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OC(=O)c1cccc(F)c1	408888371	UWIVYDVNCUJSPZ-ALQBTCKLSA-N	548.655	6.437	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccccc1C	408897847	UHUSSOXGHBXKRR-CCVNUDIWSA-N	554.466	6.119	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl	408943729	IDPFDBHJMPNUOZ-MUUNZHRXSA-N	657.576	5.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1	408944914	JWQBTCSWEFOTTK-VWLOTQADSA-N	631.936	5.248	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C)cc1	408948338	FNWLRRDMWVHVDT-QRVIBDJDSA-N	544.449	6.092	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)c(OC)c1	408950170	GNMGJKBIONRHOS-OEISHWKDSA-N	671.534	5.310	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408955820	USYGXCMNLNAMLA-JAIQZWGSSA-N	579.838	6.337	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccccc2)c(OC)c1	408958587	ZGMOQMLDFJUPBF-LNZKYNOCSA-N	777.410	5.361	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408965928	KEGCKTKEBUTLDZ-CAQPMQTCSA-N	545.709	5.365	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1cccc2ccccc12	408978009	GRARZBYPXMMPAW-DJIVIPDOSA-N	607.732	6.296	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1)c1ccccc1	408982029	XJXDYKIAMLZPIU-AXMMYCDFSA-N	525.605	5.755	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccc(I)c(O)c3)c3ccccc32)c1	408992716	BFLUENBRQTYZSP-LGJNPRDNSA-N	509.347	5.072	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)Cc2ccc(Br)cc2)cc1	409009814	IJFNCNDCSSFSGW-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1Cl)c1cc2cc(Cl)ccc2o1	409016877	KVVDSSSLQVNALD-PPDIBHTLSA-N	518.194	6.845	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1cccc(C)c1	409017832	QNZOFMHPLAVINQ-QDTIIGTASA-N	527.802	6.509	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1	409049366	QNTNLZCQVYHHRR-VCHYOVAHSA-N	544.218	6.784	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	409055055	HXRLIYNTYXEOKX-XDHOZWIPSA-N	550.409	5.338	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)Cc2ccccc2Cl)cc1	409065536	SYPXXSBEPMXLPM-STBIYBPSSA-N	512.075	5.287	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409075689	ZZPRZARUBLEBCF-GZTJUZNOSA-N	610.813	6.083	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409087507	CTJWEAHJLZVAOU-LDADJPATSA-N	521.451	7.348	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409091187	QEFIWAUABFRTOK-CXUHLZMHSA-N	576.325	7.031	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C)cc1	409143098	MVVDYGMUASHELR-QHCPKHFHSA-N	508.416	5.075	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccccc1C(F)(F)F	409150309	AYBSQUPGRVGWED-JJKQSNDFSA-N	688.828	5.468	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	409184009	DTQYJYHZVXGGLC-QNKGDIEWSA-N	576.118	6.597	50	40	KKGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(C)=O	409218321	HYNHZLFBVCXBAX-OHUYPAJKSA-N	610.579	5.073	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1	409222966	FQKBBQDXWCWUCV-XQCBVTLMSA-N	583.000	6.192	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccco1	409226989	WYBVMGFBKWOVST-UHFFFAOYSA-N	511.534	5.222	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1	409227427	ZXVFPSCMKGJGJF-DEDYPNTBSA-N	611.436	5.570	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc(I)cc1	409242279	WOMVSSZBYXILII-WKIKZPBSSA-N	644.222	5.315	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1	409248784	QNJUSDCMZSBVBG-PPDIBHTLSA-N	740.092	5.911	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409255424	KHMSNDIUXXKAAD-WKIKZPBSSA-N	577.806	5.043	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409261100	BDBIYSNLFOROMP-UUYOSTAYSA-N	518.013	6.145	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccccc1C	409261465	CEVMFHVWJUMCCB-MBTHVWNTSA-N	571.415	5.088	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409264025	JFTGGCGMEFQFOP-CDLBOOTPSA-N	780.088	8.609	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409265580	MWRPFLKBEFJCRV-NDENLUEZSA-N	538.431	6.572	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OCC	409317968	TUUZRFJSZPSNDG-UHBFCERESA-N	622.887	6.484	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409318658	WSODJLSHMNQXEW-NTFVMDSBSA-N	593.883	5.598	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	409372372	KOAOGLYVLYQGBF-MNBJERMJSA-N	507.550	5.146	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2c1	409396811	BLZFSKSSXRJNTB-UHFFFAOYSA-N	571.464	7.191	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409396963	DKBHUGVDIJLHSJ-UHFFFAOYSA-N	552.030	7.097	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409397185	HFIVVHAQCZBOAK-UHFFFAOYSA-N	521.548	6.356	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1O[C@H](C)C(=O)O	409400406	CUVLXTNTERFCGL-ULWKOHHTSA-N	689.357	6.416	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1cccc(C)c1	409402687	KOHRFTZMAAPTAH-CLHYIUPASA-N	612.126	7.970	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCC(=O)OC(C)C)o2)cc1	409407513	ZZUPGAMNYBAZCR-LJUMEUDFSA-N	529.593	5.360	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409409787	RCTLFGFQUCSOBK-OJYCWLPVSA-N	622.634	6.556	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	1529544926	STZAURICNHGGBT-GPQOJQFPSA-N	750.499	6.619	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1	1529545131	YEVSSOSOUBQIJM-FWSRZAFXSA-N	671.603	5.856	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cccc2ccccc12	2739991	JEJKJTQRXCTEEI-LXISSDBLSA-N	541.080	6.317	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OS(=O)(=O)c1ccccc1	2800991	JQIJMYLGFYGYSP-LFIBNONCSA-N	536.915	5.681	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(OCC)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	3666032	DTEDMOALVBUZPH-VWLOTQADSA-N	545.705	6.143	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cc(Cl)ccc2OC)cc1OC	4082454	QEGKFTAWCTVRBT-FABQOPTDSA-N	639.174	5.736	50	40	KKGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@H]1c1cccc(Br)c1	8451214	VTALUONFAIWYIE-HSZRJFAPSA-N	565.493	5.402	50	40	KKGB	
O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C/c1ccc(F)cc1	8781258	KDTRMQVRSIHNPR-VULFUBBASA-N	510.392	5.078	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)ccc1O	9197363	LFSJTIHAYSOZHM-OCSSWDANSA-N	529.666	5.497	50	40	KKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2n1Cc1ccc(Cl)cc1	14152266	RKFJSQOWNBSVDP-XSFVSMFZSA-N	511.050	7.009	50	40	KKGB	
COc1ccc(CN2CCCN(Cc3ccc(OC)c(OC)c3)C2c2ccc(N(CCCl)CCCl)cc2Cl)cc1OC	19321054	QDLUQAMKJWUZKW-UHFFFAOYSA-N	637.048	7.065	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccccc2F)cc1	19816728	YDHBOHSNLMSYLF-UHFFFAOYSA-N	501.668	6.106	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2	59087274	MWXYMPHQKRHHHT-RGVLZGJSSA-N	514.379	5.404	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	97960712	YRJHXAXKMSSCGE-MOSHPQCFSA-N	555.856	7.025	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2Cl)=C(C)N1	98048671	GGGPKYWWUYOKDD-SANMLTNESA-N	583.497	6.692	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2sccc2C)cc1	100109722	KWDWZGXJTBLVIQ-STBIYBPSSA-N	538.094	6.178	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100336402	XKHIKJGHFMPXAA-NVMNQCDNSA-N	546.248	7.198	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)cc1	100620716	HDKCYJQEPJJPHS-GOJREDGKSA-N	591.733	6.888	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1	100991262	DAWKPGXEJQNHOX-NLTRVXJZSA-N	532.463	6.131	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1Cl	100998346	VBZILGUMPANONF-KVSWJAHQSA-N	533.799	5.062	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(I)c1O)C(=O)Nc1cccc(Cl)c1Cl	103889001	JVBFQIBKZNEIQX-RUDMXATFSA-N	537.966	5.612	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCc1cccc2ccccc12	109082079	FHYTXPHPHJENGO-HNSNBQBZSA-N	600.456	6.878	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](P(=O)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	118922906	CIDIPMDBMBDYOH-FAFYVPRKSA-N	570.842	10.411	50	40	KKGB	
CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341550	UERNQYXXXDYBCR-LBPRGKRZSA-N	964.317	13.897	50	40	KKGB	
CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341605	VGSYQLGGLSNQPS-CYBMUJFWSA-N	728.309	11.110	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342236	WUMBUQFSFYIXRT-UWTATZPHSA-N	892.044	10.928	50	40	KKGB	
N#Cc1ccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3)CCCN2Cc2ccc(N(CCCl)CCCl)cc2)cc1	150371889	VGFNCOOTAVCTLD-UHFFFAOYSA-N	647.522	7.533	50	40	KKGB	
CCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCC	150382846	ZCQRAHOCIBGXEB-KVBUJHEKSA-N	652.637	8.926	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	150485610	YTUSBNSDFRLELE-KPGMTVGESA-N	660.536	5.672	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	169795413	ZMYQRKXENMOIRL-GJZGRUSLSA-N	700.221	10.060	50	40	KKGB	
CCC(=NNC(=O)CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)c1ccccc1	254418868	CEBLSNJPTAZFDX-UHFFFAOYSA-N	520.456	5.719	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540304	PUIGSCVUHKEQGA-BIKKEBSBSA-N	653.573	7.860	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccccc1	408542972	MLOZIFDWEUBETL-GRSHGNNSSA-N	507.340	5.281	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)c1ccc(C(=O)O)cc1	408543097	OUQICXGFDILANW-UKWGHVSLSA-N	632.195	6.109	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(I)cc1	408550825	KCRZFAGNJFJEHI-VCHYOVAHSA-N	629.907	6.890	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408551761	FWKGUAUFELSHPH-LFVJCYFKSA-N	567.114	7.684	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br	408569853	QPXOMVNFGFVGFI-FOKLQQMPSA-N	560.333	5.618	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Br)cc1	408588384	VUGKIBRBGLETGK-ODLFYWEKSA-N	503.223	7.798	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408609456	JTPCJJJFGSZGAW-OKCVXOCRSA-N	544.435	5.849	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccccc1Cl	408676113	FLSJVCITKKKJKA-MWLSYYOVSA-N	542.861	6.054	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408677416	QMVXLLBSAJBXEC-LQKURTRISA-N	508.962	5.200	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408710945	ZIHNHUMRIUMTRA-RPPGKUMJSA-N	597.101	6.326	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408712083	YTGZOBHTJCCPCP-KVSWJAHQSA-N	648.122	7.102	50	40	KKGB	
O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)o2)c1	408742145	POTLBJKEMLLDGX-GOJREDGKSA-N	551.602	7.533	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1	408745080	PGJHYNRZANVRLU-WQRHYEAKSA-N	501.797	7.170	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c1	408746856	WVSSUUXSNHFEAP-ODLFYWEKSA-N	569.355	5.723	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OCc1cccc2ccccc12	408749012	JWBKVUPQEDAGNX-BIZUNTBRSA-N	601.444	6.587	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(I)c1OC	408752385	IESGADGNDPENDL-MDWZMJQESA-N	527.156	5.007	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1Br	408752397	AJSBOLOJWYBBQF-ZVBGSRNCSA-N	529.279	5.462	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Br)cc1	408753551	NJZMAXIWBMSGSG-LGMDPLHJSA-N	526.184	5.976	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3I)cc2Br)cc1	408756327	RJTPUDJMEIEVQM-YBEGLDIGSA-N	702.162	6.438	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408788065	AQVLVKZOALRVQV-DICXZTSXSA-N	500.608	8.645	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408791035	SNWKPNWERRDYOX-VIZOYTHASA-N	659.987	8.406	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	408803572	QRDUNPUQELHBCM-UDWIEESQSA-N	521.831	8.233	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc(F)c1	408813293	PDRUQIIBNZZOPR-DBFSUHOCSA-N	590.243	6.839	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2cccc(C(F)(F)F)c2)cc1	408826695	IVWOCRPATAEQFO-UHFFFAOYSA-N	523.621	5.918	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OCc2ccc(Cl)cc2)c1	408828091	LLMFNDTXRKGKIL-LFVJCYFKSA-N	603.900	7.815	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c2ccc(C)cc2)cc1OC	408828470	MXCVLJWZVBUMIQ-MWBNBJEGSA-N	717.038	6.361	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408829237	OQCZJTGICDRWKA-UXHLAJHPSA-N	558.100	5.490	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cc(C)ccc2C)cc1	408830770	NOPLOBBEWHHLLR-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	408837951	PTKWMLQMJRTMNC-KCSSXMTESA-N	617.555	5.167	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408838660	ZBVPRBNNNSHQKB-CHSHITCJSA-N	804.572	7.081	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408843684	MSPGCYAJTLBNLO-CDLBOOTPSA-N	746.912	10.228	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(I)cc1	408849413	YIIONLKDQDXQDI-IZYHBKOJSA-N	814.487	8.813	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1	408849646	ZSJBQLCQMJHHKI-AABVJFSESA-N	707.946	7.469	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2F)c(Br)cc1OCc1ccc(Br)cc1	408855815	FPQKSHDCPDJOOZ-UVHMKAGCSA-N	550.222	6.092	50	40	KKGB	
COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I	408856514	IZMNVYLAXXHFHT-QRQIAZFYSA-N	535.385	5.830	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(=O)(=O)c2ccccc2)cc1C	408858717	OQBPEIYWYLSWJW-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408886621	KUYZKBVNWSLALM-LDADJPATSA-N	632.432	5.010	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OCc1ccc(Cl)cc1Cl	408886989	KQTCQWHLURBOQK-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	408895426	KIQUNDLZAUCLTE-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408895544	LBVBIULJVXHDAW-CPNJWEJPSA-N	526.998	5.369	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904529	KYILMGZBZMBAEE-BCHBDCPOSA-N	701.642	6.547	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccccc1F	408923476	IRUOWEUJDIVCAK-VCHYOVAHSA-N	621.244	6.716	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)cc1Br	408944169	IOSFWMIYGBQVGH-GDLZYMKVSA-N	736.472	6.229	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408944748	JQHPYPMRBUYRGQ-HHHXNRCGSA-N	844.897	6.013	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(I)c1	408947047	NNGIHOLPMSXYHA-JGCGQSQUSA-N	734.616	5.908	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	408951985	UUADTUWPRYNZMG-MUUNZHRXSA-N	746.478	5.684	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)Nc1ccccc1	408956687	ZJQXUUAGZGDTHY-MBTHVWNTSA-N	536.382	5.375	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(I)cc1	408984013	PGTHCBBNBPXSRZ-VCHYOVAHSA-N	637.699	7.149	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1	409007170	UNGLVWFEUALWSV-KKMKTNMSSA-N	545.275	5.641	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCOc3ccc(Cl)cc3Cl)c3ccccc32)c1	409018205	SYFGJZQIDJIGMZ-AUDFQMKGSA-N	655.626	7.650	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409047329	MHQLQIDUJCTITA-QNVXDBMFSA-N	684.215	9.077	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCc1ccc(F)cc1	409050302	UDUWCSTXIBOBBS-GKVNEZTPSA-N	559.641	7.511	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409064158	BUXUBNMEGCCOPP-OQLLNIDSSA-N	598.656	6.605	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078014	GJXFHACGRCWBHI-MHWRWJLKSA-N	565.426	7.369	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409114641	ITQNEKKLCGUNCF-DPNNOFEESA-N	685.597	5.237	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409146628	UPFSEDAEVUZMQX-IPBVOBEMSA-N	605.541	7.444	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	409148478	YZATYKWGLXIFOY-FQEVSTJZSA-N	669.213	5.198	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(Cl)ccc1C	409153932	OBJHEKVDGOELKF-IPPBACCNSA-N	571.859	5.080	50	40	KKGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)o2)cccc1[N+](=O)[O-]	409163086	LRPIJGYTVFVNTP-YDHBKFOLSA-N	517.369	5.375	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1Cl	409170707	WZRWXQYJVOUKJU-HIWRWHBISA-N	683.330	5.089	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	409183798	SVJMSOBGXKQVJR-MUFRIFMGSA-N	552.266	6.637	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc(C)c4)c(Br)c3)cc2c1	409186970	KIRZKFZIURPQON-MBTHVWNTSA-N	507.384	6.245	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409191506	XTLWPVJVWQEIDR-UVHMKAGCSA-N	578.790	5.384	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409220303	WNQNJIPYJDTFSL-LICLKQGHSA-N	589.273	6.718	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409220491	APOXGPKNLNQYEW-HAHDFKILSA-N	519.985	5.882	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)c2)cc1	409223154	GVKOWFIJDWEXJV-UHFFFAOYSA-N	570.443	6.301	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccccc1	409230383	CPSBTRBIOHMBOL-WBRURWICSA-N	553.356	5.563	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc2ccccc2c1	409234247	JNFMUVJJXSIHFL-QRVIBDJDSA-N	550.964	8.035	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409251278	PFEFRUNTGQNNMA-WOJGMQOQSA-N	510.377	5.874	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1	409252768	DOQCNGFZOSACMH-UEAGUAMBSA-N	512.393	5.084	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409253035	VRJHOARCAOPEHN-GZOMZLSJSA-N	759.670	8.264	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409260609	STEINIFEAJTTPP-ODLFYWEKSA-N	534.956	5.519	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(Cl)cc1	409272520	QVAAASSRTZIHDI-XCHWQBBTSA-N	526.420	5.474	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Br)c2)[C@H](C(=O)OC)C(=O)N1	409336382	RXSXBVVAEMYZLJ-VXKWHMMOSA-N	651.377	5.201	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OCc1ccc(Br)cc1	409368266	QQVOEZVQLJKHRV-UNOMPAQXSA-N	546.202	6.705	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)c2ccc(I)cc2)cc1OC	409372958	UCIGJYILXIKMQM-ZSOIEALJSA-N	531.131	5.367	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1	409374873	AUTJTUKFDPQTGR-OJYCWLPVSA-N	621.719	6.742	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cccc(F)c1	409392698	NESLWKMKIRMKOW-IUXPMGMMSA-N	626.163	6.586	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394974	IHQVNFLYVYMCFT-UHFFFAOYSA-N	731.184	8.558	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)c1	409395863	SOPJSLWAOXWEEH-UHFFFAOYSA-N	652.932	8.396	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409397128	GOMSQSNAZMLYEH-UHFFFAOYSA-N	667.343	7.905	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409398783	VSKMGFCINKYNEZ-UHFFFAOYSA-N	681.326	7.625	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409398792	VWLCEVFHJLCWOD-UHFFFAOYSA-N	563.013	6.660	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C)c(Br)cc1C(C)C	2081182	ATGIQVHPKVSKTI-BRJLIKDPSA-N	522.237	5.185	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NNC(=S)Nc1ccc(Cl)cc1	2321367	LPJDBOQIAIOMBA-UHFFFAOYSA-N	529.478	5.351	50	40	KKGB	
COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1	2385963	QIGYJXJZMWAPMT-HEQFHQOESA-N	504.011	5.722	50	40	KKGB	
COc1ccc(O)c(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)c1	2739008	ARRWPLKZIPLUOJ-LXISSDBLSA-N	552.660	5.378	50	40	KKGB	
Cc1c(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12	3325023	ZMFVKFBCIBSYSS-UHFFFAOYSA-N	540.548	6.351	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)=C(C#N)[C@@H]2c1ccc(F)cc1	3336188	TWBSIQVLWBDDGI-QHCPKHFHSA-N	564.004	6.935	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	16688528	XOTWUOIXOZMBAG-XYGWBWBKSA-N	527.577	5.533	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2OC)cc1	59297420	TYUBVDKYQJGVSG-GZTJUZNOSA-N	507.886	5.030	50	40	KKGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-]	96401975	YBINXCAXBCRBGW-LORYXUCWSA-N	507.550	5.631	50	40	KKGB	
CC(C)CCN1C(=O)/C(=N\NC(=O)CCCCCCC(=O)N/N=C2\C(=O)N(CCC(C)C)c3ccccc32)c2ccccc21	97959597	KLALYOGLGWTXNA-ZNUUIMKISA-N	600.764	5.153	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CCCC2	97968637	OYXYBPFMRHALTA-KAMYIIQDSA-N	548.970	7.281	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(N)=C(C#N)[C@@H]2c1cccnc1	98006090	FCIKWJDBBNTUIF-NRFANRHFSA-N	535.098	5.820	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(n1cccc1)=C(C#N)[C@@]21C(=O)N(Cc2ccccc2F)c2ccccc21	98008183	IVVSTXSFELNCRI-PSXMRANNSA-N	586.642	7.107	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)N1	98048740	VGZOGSCAPFYDDZ-MHZLTWQESA-N	549.479	7.049	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1	100119331	DYTGRRYJXOXWRE-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(C)cc2)cc1OC	100304158	RXMKIEUNRNURIF-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1	100508326	OJEWICTUDSKWDR-QHPKCYJTSA-N	526.018	5.077	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100988236	BUMLMCHNHNMUHF-CKVBZJJFSA-N	583.305	6.277	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	102348164	GTWFQPPRUOQKCQ-VCHYOVAHSA-N	536.350	6.498	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(C)n1-c1cc(Cl)cc(Cl)c1	102934539	RENGIDZLVRDNGF-GIDUJCDVSA-N	534.197	6.617	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	103885490	QPVTUYNXVRTQSC-AUWJEWJLSA-N	590.053	5.390	50	40	KKGB	
CCCCCCCC[C@H](Br)[C@H](Br)CCCCCCCC(=O)N1CC[N+](C)([O-])CC1	104109808	OPTBLTCYRYQSSC-FCHUYYIVSA-N	540.425	6.781	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](Br)C(=O)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@@]21C	118923883	YNWYOSBEGUAVTN-LZWTWHFZSA-N	525.524	5.719	50	40	KKGB	
CCCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C=C\[C@@H](CCCCC)OO)OC(=O)CCCCCCC/C=C\C=C\[C@@H](CCCCC)OO)OO	150339548	SOQCDTNXVWQPLF-UWYHCKCQSA-N	989.426	16.220	50	40	KKGB	in-vitro
CC(/C=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)=C/c1ccc(/C=C(C)/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1	150351817	UPRMNWRERHRDHA-FOFONNGNSA-N	735.026	10.283	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	150385576	ONRBWLZYHFCMAC-VWJSQJICSA-N	624.377	7.053	50	40	KKGB	
C=C(C)[C@@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@@H]1SSc1nc2ccccc2s1	150392082	XIWJNWWOPFNDHF-JGBIIJINSA-N	681.861	7.046	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795312	UDQMGDBQRRMELO-OCAPTIKFSA-N	902.074	11.141	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1	209483423	JVLANDCIOLZWLQ-RGVLZGJSSA-N	513.229	7.172	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408534688	WIYIWRSGCLZCNS-DPWJMMOYSA-N	519.354	6.577	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2OCC)ccc1OCc1ccccc1	408537630	GMHRCZGANFBRMC-QRQIAZFYSA-N	641.562	8.259	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC	408539125	TWZKVDNZKAPFFF-XMHGGMMESA-N	503.412	6.882	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2OC)ccc1OCc1ccccc1	408539872	ZRJHUNVZCDNQRP-YUMHPJSZSA-N	583.084	7.759	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OC)ccc1OCc1ccccc1	408540863	WOUDUTNTDBXUMH-CVKSISIWSA-N	613.508	7.478	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c(C#N)c1C	408546337	HEDDIHMNZFYKCV-RGVLZGJSSA-N	535.021	6.065	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)cc2)c(C(=O)OCC)c1C	408546502	KGCIFIRIBHUENY-OEAKJJBVSA-N	542.613	5.579	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550497	HJTBUTXFUQQUCL-LFIBNONCSA-N	538.507	6.764	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408552518	JFFRWQSUHHERCD-WOJGMQOQSA-N	623.504	6.362	50	40	KKGB	
COc1cccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1OCC(=O)Nc1ccc(C)cc1	408567988	HLAJVKNZEGMLBO-MUFRIFMGSA-N	551.690	5.029	50	40	KKGB	
O=C(NNc1ccc(OCc2c(F)cccc2Cl)c(Br)c1)[C@@H]1CC(=O)N(c2ccccc2)C1	408607151	NBLNXRPSVKYHSO-OAHLLOKOSA-N	532.797	5.317	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)ccc3OCc3c(Cl)cccc3Cl)CC2=O)cc1	408612814	YUVZPLZIMRHGEZ-OAHLLOKOSA-N	534.827	5.731	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408638157	CBOYLWPXPJPMBP-MVVOQFOESA-N	714.065	6.806	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408642433	DVJVZVCUSXXATP-WJNKUABFSA-N	818.129	7.537	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408711705	GZCOKDVXIKQYSO-NUJZUDFISA-N	613.279	6.277	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408711933	RELWMBDJAYJCFP-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1	408743559	GRNLUANOBSUXAG-WQRHYEAKSA-N	501.797	7.170	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2Br)c1	408744333	KMRLQBQBFRDHFC-JAIQZWGSSA-N	540.255	6.953	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408749095	LGZLHNDYHZCNSS-LGJNPRDNSA-N	698.542	5.218	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408765625	MSLUEZJOBVBIDB-GZTJUZNOSA-N	602.419	5.078	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)c2C)ccc1I	408779957	OQPVXLUGSWENBG-RAWMCFOBSA-N	556.231	5.843	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2I)cc1	408793868	QQPBODRGMNVWKE-VCHYOVAHSA-N	654.673	6.982	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1C	408794219	IMYJMMVBDSFSLT-UDWIEESQSA-N	506.356	6.099	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCC#N	408795483	LVBYMHVMOOABNZ-KGENOOAVSA-N	579.394	5.717	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c(C)c1	408796532	PBJFEFXOSICGSE-VXLYETTFSA-N	668.700	7.291	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1C#N	408796699	YWOPZFJWTLWYRN-AWQFTUOYSA-N	536.813	6.416	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1ccccc1F	408815217	GZDMSIPQDQZNNP-SXGWCWSVSA-N	658.636	6.813	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1	408815997	ILJXUDXAOPCLNP-NDENLUEZSA-N	558.803	5.756	50	40	KKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC	408825559	IPZADBZHTGMDIT-CJLVFECKSA-N	535.438	6.761	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408825695	FLWHZIRJRLGMDP-FADJLKOXSA-N	651.210	6.449	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408832287	SNEBBFBDCSVAOT-HZQMBONKSA-N	749.311	6.025	50	40	KKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1	408832951	SIXTXOOLKAEBDH-NLRVBDNBSA-N	553.456	7.461	50	40	KKGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408837296	BSJFHOWMEMNFAY-KEIPNQJHSA-N	567.642	5.904	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408841606	LYSAEKZYJNNIPM-RQRWGXNHSA-N	733.512	8.121	50	40	KKGB	
Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408842397	OQUOYFQORWINAJ-WWXMDWTASA-N	665.386	7.004	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2I)cc1	408843728	MXGYCWOCDSNNNB-QNVXDBMFSA-N	804.879	9.068	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1	408845495	FWRAEHZQYWAHGV-KGENOOAVSA-N	501.355	6.866	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1	408847488	NEUBFUJEBDXCDM-DXJNIWACSA-N	520.545	6.393	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c2ccc(Cl)cc2C)cc1	408862051	HVUCIJSEAPQMLS-RWPZCVJISA-N	577.932	5.131	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408862521	ZRIOZYSTZOLILZ-VTNSRFBWSA-N	687.956	5.944	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1Cc1ccccc1Br	408872054	JSICMBCYUSURGG-XDHOZWIPSA-N	617.281	6.597	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1cccc(C)c1	408885125	WYOMJDBHVUGOOK-OEAKJJBVSA-N	566.439	6.685	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408886414	GXNQSKCTPCJGNO-GZTJUZNOSA-N	517.390	5.624	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	408887967	VOLHVFHXVOQMPG-KGENOOAVSA-N	589.873	7.728	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1ccccc1	408899225	OFOLQUXDKSYDFZ-XDHOZWIPSA-N	550.365	5.829	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OCC)c1	408910563	XEUVMIQYHKZJEH-CIMVZPIYSA-N	647.364	5.997	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1	408940723	CVNVXXWZPNXGOC-HHHXNRCGSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)c(OC)c1	408947885	BNSOAGDMGYZLLL-UIGQDENISA-N	744.437	5.828	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1	408952118	VLLXDJLKGPPFGX-HHHXNRCGSA-N	689.991	5.706	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	408965825	IWBYGHRPIBYCIB-XAZZYMPDSA-N	512.368	6.084	50	40	KKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408970113	AVBONCGVGYHLAC-WZLUECLBSA-N	537.447	5.428	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c1	408999230	UBNFYDYSTABNHW-FDAWAROLSA-N	511.965	5.884	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1	409003535	SNIQXSIPEYFRSV-KPGMTVGESA-N	700.181	7.210	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccs2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409010113	JOKYUCNYFNRAGD-APTWKGOFSA-N	557.716	6.396	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409029260	XVEBGJOEOVHWJF-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1	409069093	UXDRIHNRHIYETL-LICLKQGHSA-N	610.711	5.856	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409076139	YJOPSNGFVSEHNO-YBFXNURJSA-N	539.357	5.810	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1	409085809	ZQBXIMIJWBYXDX-MHWRWJLKSA-N	546.299	7.023	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cccc(Cl)c2)cc1	409138046	ZEJFPRODEVCAEP-KBVAKVRCSA-N	585.513	5.755	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1	409144270	JBXKIUCDLAZPRQ-UVHMKAGCSA-N	569.308	5.406	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccc(Cl)cc1Cl	409149056	WOKHVUFAYYKFDO-QHCPKHFHSA-N	548.220	6.267	50	40	KKGB	
Cc1[nH]nc2c1[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	409149239	ZOCOFTZEZSQAPZ-IBGZPJMESA-N	506.187	5.585	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccc(C)cc1	409185322	XCFKZEJVXKDPNX-MHDJOFBISA-N	633.985	6.717	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409211295	MUVBSLFGTKMKSR-CCVNUDIWSA-N	532.449	5.652	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409225091	NHZFGKHVUVLDTK-LPYMAVHISA-N	548.437	5.397	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2)cc1	409226891	WMIXFPNYEURLJI-CAQPMQTCSA-N	546.410	6.158	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	409230540	FHEXSFRBQZYASC-QCYAWUEASA-N	521.444	7.094	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccccc1Cl	409260666	UHQSCUBQSYNZCF-RAWMCFOBSA-N	521.744	5.336	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OCC	409301305	DVPWUEDOCSOQFY-LQNQUEJISA-N	647.466	6.129	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1OCC	409305740	XFGPXBPXGKKXHK-YUMHPJSZSA-N	561.454	5.087	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)ccc1OCc1ccccc1	409312056	JQUJBYKHMYKQDX-QJOVZPHJSA-N	581.068	7.432	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409312662	GFENFYIDKICBNZ-WOJBJXKFSA-N	602.418	5.521	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OC	409316568	LMYWHHXBBSKKAR-BVMLUPFRSA-N	665.912	5.840	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409317129	PBGFMTACOZRXSN-WKIKZPBSSA-N	561.334	5.939	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1OC	409319804	MCGITHAMVPALDB-MNDYBZJGSA-N	633.337	6.099	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccc2c(c1)OCO2	409365679	RLABVZIAPXZZEA-ODLFYWEKSA-N	504.327	6.087	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1F	409371677	JUZRRTNRHVOHBN-SXGWCWSVSA-N	566.062	7.756	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccccc1F	409374481	QTWJHBOLMVTSHB-ODLFYWEKSA-N	553.375	6.657	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl	409386875	OEDJONJAZKTKAB-HQDYHJHZSA-N	612.111	6.997	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409394737	FGLHATRXGAIRDC-UHFFFAOYSA-N	676.951	7.568	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccccc1	409395446	NQTLCXAGKOGQJO-UHFFFAOYSA-N	562.840	7.778	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)cc1OCC	409396088	WGEJJCZLXFGONF-UHFFFAOYSA-N	753.875	9.102	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409397249	HXGAEOQQQIZBFT-UHFFFAOYSA-N	582.056	7.187	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OC(C)C	409403368	MKZCDWCSGYCDTE-KYHGBAKBSA-N	594.506	6.978	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccc(C)o1	1261677	XLDYFYPYUOMOIV-SANMLTNESA-N	549.052	5.957	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3F)nc3sc4c(c3c2=O)CCCC4)cc1	2696304	SLUSXDOQQMHGBJ-CCVNUDIWSA-N	506.628	5.016	50	40	KKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nnc(SCc4cccc5ccccc45)s3)ccc21	2705669	YFUPERUUDWRGCX-KBVAKVRCSA-N	567.765	7.354	50	40	KKGB	
Cn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1	2761341	YIPVFNVWNPKVBK-AMVVHIIESA-N	599.942	5.665	50	40	KKGB	
O=C(COc1cccc(Br)c1)NNC(=S)Nc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1	3175710	VHCHSZJTBDKJMV-UHFFFAOYSA-N	580.345	5.728	50	40	KKGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2	8410821	SQDRECULYCZQAG-VTYKSARXSA-N	520.662	6.010	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	8456073	CZBOXXQNDGBSDT-NGOKVRLYSA-N	541.007	6.345	50	40	KKGB	
Cc1ccc(Cn2c(C)c(/C=N/NC(=O)c3ccc(I)cc3)c3ccccc32)cc1	10118670	HQURLJWEFDTSNW-JFLMPSFJSA-N	507.375	5.675	50	40	KKGB	
C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(Br)cc1	33415077	OTXHBLCCHGJBEX-OYKKKHCWSA-N	506.809	5.057	50	40	KKGB	
N#C/C(=C\c1ccccc1OCOc1ccccc1/C=C(\C#N)c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1	50552187	YXAPUROJTUJDET-WZGDJCGDSA-N	534.579	6.983	50	40	KKGB	
C[C@H](C(=O)OCC(CO)(CBr)COC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1)c1ccc(-c2ccccc2)c(F)c1	95101071	SOWSPOXXVYKTPD-BETVKVNISA-N	651.544	7.666	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc2ccccc12	97960633	GULTXCHHRCDJMK-UDWIEESQSA-N	537.830	7.933	50	40	KKGB	
Cc1cc(/C=C(C#N)\C(O)=N\c2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1ccc(I)cc1	97980637	LUPKOCDSQVNVGZ-YBEGLDIGSA-N	569.752	7.566	50	40	KKGB	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1I	98001680	KPPCZLBCNNBOLE-YPXUMCKCSA-N	781.977	6.235	50	40	KKGB	
O=C(Nc1nnc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)s1)c1cccc(C(F)(F)F)c1	100039287	KZQUGOZMDNOEQK-GDAAHCPNSA-N	569.472	5.938	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12	100063021	BCXSBCPLKRSWSY-MZJWZYIUSA-N	572.244	5.750	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	100063189	IGPISLARLNXJJJ-KKMKTNMSSA-N	526.645	6.681	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1Cl	100119971	JCTWORXWROFTDD-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1Cl	101273338	HWXLTPHMTASQCP-XMMPIXPASA-N	528.461	6.099	50	40	KKGB	
COc1ccc(-c2nn(Cc3ccccc3Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC	102348103	YFWDJNIBBMSHMB-DEDYPNTBSA-N	543.967	5.723	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)C(C(=O)Nc3ccccc3)=C(C)N2)c1	102719153	QOIGHRMFFZDXBN-HHHXNRCGSA-N	528.609	5.541	50	40	KKGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	103898642	JJOHSVAWRQTFEF-UVHMKAGCSA-N	546.874	5.504	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(Cl)cc1Cl	104401990	HWOPXBKSJHCNBH-KVSWJAHQSA-N	601.122	7.260	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@H](Br)C(=O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C	118930517	JORIUVUQFBFOKU-SOJVWZAHSA-N	523.596	7.592	50	40	KKGB	
Cc1cc2c(C(C)C)c(O)c(O)c(/C=N\NC(=O)CC#N)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N\NC(=O)CC#N)c2c1O	150349368	LOFQMGMFTVXCFM-LDYJBHNGSA-N	680.718	5.485	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(C)cc2)cc1Br	150462932	VRBCTBRFOXAUPI-DPNNOFEESA-N	637.600	6.136	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cccs1	164439733	UFVLVOJJEAVFSY-LGJNPRDNSA-N	638.268	6.453	50	40	KKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)cc2[C@@H](C)CC1(C)C	223574848	QSFFHQAJOWIFCM-IETDBYTCSA-N	537.296	6.102	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	408540650	UWAZNYWUJMFWMC-LJUMEUDFSA-N	590.430	6.288	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408545038	XYHKIQSKXFQITA-ODLFYWEKSA-N	518.551	5.237	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCC(=O)Nc1ccccc1	408550995	ACFHGGLKEOJETN-WOJGMQOQSA-N	591.487	5.833	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408551013	ADQZFNCZQRDVLS-YBFXNURJSA-N	654.486	6.535	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1	408610269	NCOUOMRUKOSSFR-UXHLAJHPSA-N	507.562	5.071	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O	408646789	UNRWQPSATYGYOH-KRWDZBQOSA-N	502.181	5.033	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408668749	DZXUFPZEBYQZIJ-SYMSYNOKSA-N	554.666	5.327	50	40	KKGB	
C[Si](C)(O[Si](C)(C)c1ccc(C(=O)Oc2ccccc2Br)cc1)c1ccc(C(=O)Oc2ccccc2Br)cc1	408720576	VSKBOOJZBHCOAC-UHFFFAOYSA-N	684.529	7.191	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1	408730954	WZDYBTZHFMNKNL-VUTHCHCSSA-N	507.656	5.212	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)c1	408745706	OLDBHXSYFQGGEN-ZDLGFXPLSA-N	637.699	7.230	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccccc1C#N	408759539	GSNJYGBIFZKVQI-OYKKKHCWSA-N	542.433	6.573	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408764164	LLXUDVVIGZXJQN-VFLNYLIXSA-N	524.364	6.260	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)C(C)C)cc1	408765596	YVGCKPVNLRJLFZ-OLDVOZSVSA-N	529.662	5.180	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1	408768326	WCYWWAXCRLBCIV-BOPFTXTBSA-N	623.274	7.130	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408776470	OYLIAQCPIIYNAD-YVLHZVERSA-N	567.352	6.311	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408788570	DNYHNHJVVJRKDF-QGMBQPNBSA-N	641.720	8.083	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)c1C	408789336	OXIUOXBTAQWHIY-BUVRLJJBSA-N	558.419	7.186	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccccc3C#N)cc2Br)cc1	408790270	VJMATCAUHLOFQE-LPYMAVHISA-N	546.421	6.243	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408790537	SFKBRKBSCARWQV-HMAPJEAMSA-N	595.324	8.288	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408791935	FLXWQLIKHFKADF-BUVRLJJBSA-N	614.452	7.070	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1	408793448	OVKLSZNDARTWFY-CIAFOILYSA-N	549.967	5.948	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)cc1	408796537	PBQSXJAPMKCBEC-RGVLZGJSSA-N	678.264	6.116	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408801819	BZLAONTWPPGGPP-LFVJCYFKSA-N	539.975	6.952	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(I)c1)c1cc2cc(Br)ccc2o1	408817730	WXTBSEHXACMFTB-PPDIBHTLSA-N	654.096	6.905	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3)o2)cc1	408822386	BCPRNBZGWIVNFU-ACXHZZMFSA-N	599.496	5.375	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1	408825102	JEYOSUXFKSDELY-QNGOZBTKSA-N	614.938	7.485	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408830833	PXLCMMFIVBIPHR-CVKSISIWSA-N	631.954	8.432	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1cccc(Cl)c1	408833462	SMBMFYGGQPYKLJ-BUVRLJJBSA-N	559.449	7.706	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccccc1	408841623	FTNGTMALCFSXJX-DPNNOFEESA-N	569.086	7.559	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408841938	ITIQXQIUHFZCHM-RPUDKEGQSA-N	787.343	7.258	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408855968	AEHVFJWBMSXNJT-KCSSXMTESA-N	667.538	5.599	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(C)(=O)=O)c(OC)c1	408856509	HLYPLYGPPIBMIJ-VVEOGCPPSA-N	675.385	5.277	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccccc2C)cc1	408858819	PWRQAIJEQNPNGV-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1Cc1ccccc1F	408866295	DUYXDLYTTRNWAN-YBFXNURJSA-N	526.349	5.884	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1c(C)ccc2ccccc12	408879633	CARNVLLQKPCQKC-FYJGNVAPSA-N	545.408	7.183	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1	408882292	QPUCLTXDAYMBEM-HYARGMPZSA-N	509.518	5.890	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408883152	RRWXVCFSEWGUSB-NTEUORMPSA-N	509.818	5.403	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408887596	PETMFLGNNWYREU-CCVNUDIWSA-N	584.448	5.459	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OC(=O)c1ccccc1	408890841	HHDTVRQQDBLZEX-CXUHLZMHSA-N	556.756	5.784	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc(Cl)cc1Cl	408897441	WZQDGFGLIIPWNY-KBKYJPHKSA-N	557.069	6.861	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408923538	JJVFUZAWUSLZPM-CIAFOILYSA-N	612.502	5.655	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	408925979	VLBSIYLGXPQJND-JJIBRWJFSA-N	529.552	7.034	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(I)cc3)cc2Br)c(OC)c1	408949810	GEYFPKCLHMHOQK-FWUIRIOGSA-N	807.436	5.370	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12	408978303	HXEJLJTUGXAGFP-IIYUFLQKSA-N	551.647	5.121	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c2ccccc2)cc1	408981993	XCZGSDLRTZECHV-IXLGETPNSA-N	575.694	5.430	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408995538	AVPDHRVZGUMUJM-QPEQYQDCSA-N	563.073	6.101	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Br)cc1	409001731	JVVFWBGAVGEFDH-MKWJPVCQSA-N	827.333	6.444	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)cc2Cl)cc1	409009593	GQBFEYKCGRUKQU-VYVUJPJFSA-N	688.099	7.148	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)o2)cc1	409113360	AKODIUPNIPDWQH-UXHLAJHPSA-N	657.486	5.074	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	409155641	LWYVQCUQLSJASY-OKCVXOCRSA-N	557.434	5.279	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409214286	XFHUDCPZGSUOJR-AMVVHIIESA-N	618.778	7.840	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1cccc(C(=O)O)c1	409215608	CEZKBUBQFGRELL-XODNFHPESA-N	624.884	5.863	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OCC)c3)c2)cc1OCC	409219654	OSSMTFIOADGEPZ-UHFFFAOYSA-N	664.542	7.425	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccc(Cl)cc3)cc2)c1	409219947	WTOQOLGTULBEHH-RJOYOESISA-N	583.000	6.192	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	409223174	FJBCXQDEBKMCPS-ZBAUQBKVSA-N	596.086	6.389	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc5c(c4)OCO5)c(OC)c3)c2)cc1OCC	409223397	FGPPFAJALBWTRT-UHFFFAOYSA-N	625.634	5.457	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OCC)c1OCc1ccc(I)cc1	409243569	SPDFAULRGVGPHA-WKULSOCRSA-N	616.525	5.647	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(Br)cc1	409243939	ZHKWEURZKMAROB-KQWNVCNZSA-N	505.412	5.693	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1Cl	409261437	BWOZLXPKCVVEAX-RQZCQDPDSA-N	592.799	6.993	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409304053	PJEIKJUMJGCSJC-RTBURBONSA-N	560.286	6.370	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409361331	GYMIECPORFRLIR-XODNFHPESA-N	608.820	5.393	50	40	KKGB	
O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409378360	OQPCLOJULUUTKD-UIOOFZCWSA-N	698.899	5.196	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409380594	OBPZUOGGNZLVDG-MOSHPQCFSA-N	563.994	5.097	50	40	KKGB	
O=C(O)c1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	409385348	JRKLFNIOXKATKJ-WKULSOCRSA-N	525.542	6.004	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1cccc2ccccc12	409390408	CXRJJNJOBHZQDL-VQNDASPWSA-N	500.598	6.710	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395728	RAMXFSXSUSAWNF-UHFFFAOYSA-N	753.831	8.239	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(OC)cccc2c1-c1ccccc1Cl	409396136	WRRFDIZRAWXMQY-UHFFFAOYSA-N	746.239	8.667	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397656	MKBRFBDJORUZTA-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCC(=O)Nc4ccccc4)ccc4ccccc34)o2)cc1	409400407	CVFLFAWCLYAIHG-BIKKEBSBSA-N	612.686	7.201	50	40	KKGB	
O=[P@]1(NCCCN[P@]2(=O)OC(CCl)=N[C@@H]2c2ccccc2Cl)OC(CCl)=N[C@@H]1c1ccccc1Cl	1591174	YZXXGKKALYTQGN-KGAXMVLXSA-N	598.191	6.981	50	40	KKGB	
C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2C(N)=O)C1	1750130	MIXDNBVPUFKCTR-IGVUGNCQSA-N	510.959	5.339	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1	1769480	WJNONDJOWNSKKI-XMHGGMMESA-N	533.005	7.059	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(C(C)(C)C)s3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	2188834	UTAOUOZUGRIAAB-DEOSSOPVSA-N	563.789	7.103	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	2265263	PLIKKJJWYMHJTQ-HGLWPWQMSA-N	536.679	7.084	50	40	KKGB	
CC(C)CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c2ccccc21	2345795	ACTFNHQKJBJOSI-WJOKGBTCSA-N	501.590	5.304	50	40	KKGB	
CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2	2358679	APHYPYKVEWZNKB-LFIBNONCSA-N	529.445	7.305	50	40	KKGB	
N#CC1=C(N)N(c2cc([N+](=O)[O-])ccc2Cl)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl	2761626	ACDSZFZFNCBEDY-MRDQGFSESA-N	531.399	6.600	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(Br)cc1	3091111	APPCQNCWMXRPJB-XODNFHPESA-N	566.235	5.903	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136375	DYSIKSRHWFWIRQ-PNBSKESLSA-N	511.987	6.550	50	40	KKGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)C1	8400099	NKOHUIVKVFKBDS-QIRSZLOZSA-N	506.238	6.148	50	40	KKGB	
CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)c(OC)c3)CC(=O)N2C1	12251040	DLAYMOYASFJYLK-XMMPIXPASA-N	511.647	6.056	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C/c3ccncc3)cc2)c(Br)c1	12555852	LWGHAVNFSJEHHR-BRJLIKDPSA-N	503.194	5.258	50	40	KKGB	
CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(OCC)c1	20175511	WWCXEIVYTJSASI-VGOFMYFVSA-N	507.406	5.461	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1OCc1ccc(Br)cc1	34897884	ZVHAJPVXJBKIDK-AQTBWJFISA-N	508.328	5.491	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1cccc(I)c1	59856104	KTHOYBPKNAUHML-ZXVVBBHZSA-N	575.472	5.028	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2ccccc2)c1	59887198	TVHNTETZMFGFKY-QNKGDIEWSA-N	575.090	5.713	50	40	KKGB	
Cc1nc(SCC2=C(C(=O)OC(C)C)[C@H](c3cccc(I)c3)C(C#N)=C(N)O2)c(C#N)c(C)c1C	97940082	NZEZHVCOIYKQQH-JOCHJYFZSA-N	600.482	5.289	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4F)c3C)cc2)S(C)(=O)=O)cc1C	100119799	XPHMJIRYLKFZNY-KCSSXMTESA-N	546.668	5.580	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	100239780	LVHCSZJVVANUMB-FMFFXOCNSA-N	604.798	6.177	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccccc2)cc1	100858529	AWFTVTXCMQHHIS-CAQPMQTCSA-N	599.510	5.970	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)NCCc1c[nH]c2ccccc12	101712648	IFMMEECTSPBXBK-UYRXBGFRSA-N	520.467	6.153	50	40	KKGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]2Br	103571803	SNQFBXJBDSOATB-RLCCDNCMSA-N	525.035	5.219	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1F	103883642	BQXRUZZJZTZDGS-JCMHNJIXSA-N	550.428	5.432	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(F)cc1	103890806	YRAJTDKVZVDCCF-UNOMPAQXSA-N	560.250	7.748	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	105652323	DTDXSDODVIXMSG-BIZUNTBRSA-N	523.430	7.027	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c(C#N)c1C	109784522	TZJOVGYCLDKXPT-WGOQTCKBSA-N	533.653	6.898	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OP(=O)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	118923690	IBWCMFBZOKGJGP-ITBYRLDPSA-N	586.841	10.342	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)c1cc(-c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)nc2ccc(Br)cc12	150397614	SBHKIKZONLPRAK-MLMIMDMJSA-N	689.965	7.376	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	150420247	XTPBNHBSTVYWLF-XDCPRBRUSA-N	625.468	5.797	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	408539392	GYZLKCJRUXNVDS-XYGWBWBKSA-N	506.397	5.869	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)c(C(=O)OCC)c1C	408546716	NTRFLGCMQJGDDC-MHWRWJLKSA-N	540.525	5.436	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553501	WZICJZUOUWKNNM-MFOYZWKCSA-N	636.273	6.478	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408567610	OWIYMGDPXRKANU-IBBHUPRXSA-N	578.334	7.334	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1OCc1ccc(Cl)c(Cl)c1	408607474	DDYPNYXESKKXLE-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408638925	DPANPFBOVPYEET-OAHLLOKOSA-N	653.560	8.141	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408641679	KYVAFIUSYDFCNO-RDGPPVDQSA-N	631.148	5.464	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O	408644418	RCUDBPMNQMIPIS-IFHMKRRJSA-N	557.861	5.284	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408645493	SIWVDNSBNZTQNS-ZPAWYTMASA-N	679.620	6.153	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccccc1	408648851	KJGHLZCVYWDCFB-BZDUYGCESA-N	629.132	5.011	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=C2C(=O)Nc3ccc(Br)cc32)cc1)S(=O)(=O)c1ccccc1	408727853	GVFSLGIEFMOLSR-UHFFFAOYSA-N	637.943	5.893	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1	408742641	XITHSKWSAABHED-OKCVXOCRSA-N	532.984	6.007	50	40	KKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Cl)cc1	408746275	RJMZOFMJHWSPRP-GHXNOFRVSA-N	507.127	6.470	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408746509	DXFHDSWIMCQQKM-MFOYZWKCSA-N	546.204	6.579	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc2ccccc12	408749556	QOFRUNDGBGQYDB-RWPZCVJISA-N	581.366	5.704	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408750291	ZJIHYYSYTLBHTC-LGJNPRDNSA-N	532.232	5.872	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(Cl)c(Cl)c1	408764243	LTQQVOOKQBCYLG-BHGWPJFGSA-N	573.208	5.196	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	408785853	IPYMITYMZCFJKN-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408788519	KPYPKHNQBRHFEN-PCLIKHOPSA-N	617.927	8.205	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1I	408790997	ZXEGGNBPHQXIRK-OQLLNIDSSA-N	572.184	5.403	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccccc1C#N	408791392	WYWQXROZLUIRDU-VXLYETTFSA-N	551.340	5.002	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408793626	FXZQNLIBIACTRA-VIZOYTHASA-N	753.987	8.090	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccccc1C#N	408794269	INVMVVFDDNQQOA-FSJBWODESA-N	530.422	6.461	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408797590	SNIDBNNILUPPEW-XDHOZWIPSA-N	541.829	6.634	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408820368	XHJGKNKMVCOWMX-GRSHGNNSSA-N	546.248	6.567	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408828361	LVBHBUOKJUASPR-YNPASXIJSA-N	834.200	7.032	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(C(C)C)cc2)cc1	408829140	KQRGXYYCAMRIOP-QXUDOOCXSA-N	590.145	6.696	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1cccc2ccccc12	408840742	ZWZMTIGRORIBLK-JOXMEQDKSA-N	759.069	9.707	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccc(Br)cc3/C=N/NC(=O)c3ccc(NC(=O)c4ccc(Br)cc4)cc3)sc2c1	408841036	FFEXJJVGDGMRDF-QNVXDBMFSA-N	725.846	8.624	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408841871	IHOWQUPQLIDZQG-JEPNHJGPSA-N	611.651	5.655	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(F)cc1	408841882	IKCCJPFCAVCMEE-KVAAJVFYSA-N	587.076	7.698	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccc(C(=O)O)cc5)o4)cc3)cs2)cc1	408842904	KKTXQNNMVICXLI-OKCVXOCRSA-N	522.586	6.584	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1cccc(C(=O)O)c1	408851361	BXBYNEPHETYSSC-GRSHGNNSSA-N	507.340	5.281	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408860808	FMHFXYXROGOBER-AABVJFSESA-N	711.849	7.343	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1	408874728	FXGZKVYGHXBTCJ-HNSNBQBZSA-N	567.589	5.873	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1Cc1ccccc1Br	408878064	WCPIXPSAOAYFSL-VCHYOVAHSA-N	540.801	6.546	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1Cc1ccccc1Br	408880372	IPJRRCCWHBJUIR-UDWIEESQSA-N	553.840	6.424	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2OC)cc1	408881637	LUSLUUKLCULQCH-GZTJUZNOSA-N	541.785	5.885	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2cccc3ccccc23)c1	408888191	SYGXHGFWJXXBNH-HYARGMPZSA-N	509.518	5.890	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)cc1Cl	408892641	BNCVLABBRJHRTI-YBFXNURJSA-N	511.361	6.215	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccccc1C	408896599	OPTUTFRBGICUAR-YBFXNURJSA-N	603.254	6.495	50	40	KKGB	
O=C(O)c1cccc(Cn2cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)c1	408940020	JBZCQGFDNNZAIG-QDTIIGTASA-N	516.351	5.660	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OC(C)C	408954476	XBRODAAUNPZIKK-MNBJERMJSA-N	546.465	6.775	50	40	KKGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)OCc1ccccc1	408990145	MWQZWSXYKXFOJN-ATSFVSDYSA-N	547.615	5.130	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c(C)c1	408995722	DKEJMWLCPZZFEX-CAQPMQTCSA-N	563.123	5.706	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409007270	NITQKBOIZGMXEY-NUJZUDFISA-N	618.326	6.400	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409014096	FARXOHACEOFYFI-LPEPFOFCSA-N	603.300	6.811	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	409024976	OOCXQJNGYIYMRL-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	409033376	LRQQVMSOTNEXQM-OCSSWDANSA-N	579.520	7.268	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409045731	HJTJOMCGWHMWHU-XDHOZWIPSA-N	532.394	6.379	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409075380	XUAQTXUWAIRSDU-HYARGMPZSA-N	551.521	6.865	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)cc3Br)cc2c1	409187248	NYJJJQFKQLJTCQ-YNFMAFFXSA-N	592.273	7.252	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccccc3)c2)cc(OC)c1OC	409221868	BIGDONXDEKKSLR-ARWZDVPBSA-N	737.401	6.872	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409223961	JNZQWPXGOIYGLS-DOSONDNESA-N	598.999	5.892	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OCC	409226848	VYIBWTSUJLWDEI-CLHYIUPASA-N	676.122	6.399	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409244717	HUPVTXQUQGOVJL-JAIQZWGSSA-N	585.807	8.399	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409255695	IKLZIOBOASBJMX-MUXKCCDJSA-N	524.415	5.164	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Br	409270683	HBNGTPZGJXDRQP-WQRHYEAKSA-N	524.802	5.974	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	409317053	NSTJNXJJIHYFPL-YKQZZPSBSA-N	595.471	5.568	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(I)c1OCc1cccc2ccccc12	409361529	HMQVTROBXKXFQI-LJUMEUDFSA-N	608.432	5.496	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	409373666	SJALYIRIXVXNQV-AMVVHIIESA-N	706.274	6.099	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OCc1ccc(Br)cc1	409378968	SYZFNYKGOUBNAU-GIJQJNRQSA-N	592.231	5.702	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccccc1F	409383138	UTXODDQXZICRRU-SXGWCWSVSA-N	558.791	5.813	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2Cl)cc1	409384946	GYZMLDMATKINKD-KKMKTNMSSA-N	514.390	6.768	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)cc1OCC	409394732	FFQKCVSRBFEJIY-UHFFFAOYSA-N	757.838	8.933	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409394773	FSGOCRQNHUINMY-UHFFFAOYSA-N	728.363	8.428	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409394911	HIBYLGKAMMIWDU-UHFFFAOYSA-N	632.898	7.251	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(C)=O	409395101	JWXUJNGIVQWAPX-UHFFFAOYSA-N	719.386	7.585	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395660	QKDWSGMJYOKRBY-UHFFFAOYSA-N	865.700	8.535	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccco1	409397380	JFWYJCYVPURZJC-UHFFFAOYSA-N	575.362	6.016	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(C)cc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409397449	KASMPYAYZTUSHO-UHFFFAOYSA-N	626.065	6.722	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C(F)(F)F)cccc4c3-c3ccccc3Cl)cc2OC)cc1	409397834	OMZFXRBARYPLAC-UHFFFAOYSA-N	621.999	7.507	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Cl)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409406060	ACJQYABQBCWUNU-AEVGBRMKSA-N	689.994	7.772	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CC[C@H](C)C2	2284480	OBPNPXGRCJLBSV-XOAFGZPJSA-N	528.552	6.874	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	2670834	IIVWVCHARFGGPV-RIYZIHGNSA-N	549.266	8.153	50	40	KKGB	
C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1ccccc1	2740829	KTPBXTMTHJXVMQ-ABMUTNKWSA-N	506.635	5.664	50	40	KKGB	
O=C(O)[C@@H]1[C@@H]2C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]2c2cc(Cl)cc3c2N1C[C@H]1CC=C[C@H]31	6445733	WJEJCBPKPWKMSC-AEVRUNJESA-N	517.434	6.067	50	40	KKGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)CC(=O)N2)c(C)c1	9110835	BBPGDVJBMSUECM-RUZDIDTESA-N	511.647	5.901	50	40	KKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	15945097	XSLCAMPVVCGIBH-OLBLLAIRSA-N	522.270	6.937	50	40	KKGB	
COc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1	30743056	HZNDFHNWUAYPPT-YKQZZPSBSA-N	513.667	5.791	50	40	KKGB	
CCOC(=O)N[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)P(=O)(c1ccccc1)c1ccccc1	59145447	LJMZTHRSPPALBY-MRXNPFEDSA-N	603.340	6.514	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)c2ccccc2)cc1	59883329	QWFROAIGIJTAKL-KEIPNQJHSA-N	622.143	6.062	50	40	KKGB	
C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	97946630	LHSANQQHAILEBC-PXLXIMEGSA-N	529.427	6.634	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccc(Br)cc2)cc1)c1ccc(Br)cc1	97965635	SHNGQFWINJIMEN-XFPKHNAPSA-N	556.258	5.520	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)N1	98048603	QJZCJBVVDXACHT-XMMPIXPASA-N	607.441	7.312	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3Cl)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048767	AHEOQFKNUOHQHT-HHHXNRCGSA-N	595.508	6.414	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	100065160	YZKBOBXHMLYKAX-RWPZCVJISA-N	554.934	5.003	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122363	PXVZYEXGMOPQMV-FDAWAROLSA-N	593.547	5.819	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	100227844	GPUWAOMLVGDEHR-UNOMPAQXSA-N	558.803	6.468	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)c(C)n1Cc1ccco1	102245522	GDTYZMHZHIIXMX-JFLMPSFJSA-N	555.454	5.073	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	103889595	SMBGGTUMDSWOAD-NVNXTCNLSA-N	526.634	8.078	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	103896364	AXIGJYRNBNULCY-UXHLAJHPSA-N	538.456	6.153	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	103899113	NQZJLYNVEPIPSH-KCSSXMTESA-N	617.555	5.167	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OCc1cccc2ccccc12	105576025	YDRIANZXDXXHSJ-XAZZYMPDSA-N	609.420	5.323	50	40	KKGB	
Cc1ccc2sc(-c3ccc(N4C(=O)C[C@@H](SC(Nc5ccccc5)=C(C#N)C#N)C4=O)cc3)nc2c1	113482441	DBHSUZYNBBSZKK-XMMPIXPASA-N	521.627	6.008	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)c1cc(Br)ccc1O	150420699	AGVGNLGJXRZPPC-UJVWTXPYSA-N	661.339	6.428	50	40	KKGB	
CCN1/C(=C/C=C(C#N)/C=C/c2n(-c3ccccc3)c3ccc(-c4nc5ccccc5s4)cc3[n+]2CC)N(c2ccccc2)c2ccc(-c3nc4ccccc4s3)cc21	150480130	VMUZZUMLHHBFOO-UHFFFAOYSA-N	801.037	12.474	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	150481240	RKHSRKFLOVWNRJ-HPNXWYHWSA-N	691.231	5.665	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	216062124	CTKHDQDZCQELOP-KBVAKVRCSA-N	690.319	7.181	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)ccc1OCc1ccccc1	408537585	FXDDZLQXVLANNE-MFKUBSTISA-N	599.481	7.170	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	408540370	QWCWXQMDRHKDNQ-KYHGBAKBSA-N	624.329	7.142	50	40	KKGB	
Cc1c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc2n1Cc1ccccc1C#N	408570674	XNPBPFGPQPNARK-KBVAKVRCSA-N	526.687	5.877	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408583089	RMUDDNXKPJQWNO-UDWIEESQSA-N	558.450	6.005	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408598475	BEXFNBYYYFNLOX-MUFRIFMGSA-N	554.441	6.396	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408599392	UDLQJZVMAFCIFD-RWPZCVJISA-N	581.366	5.704	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31	408638387	CJVTVLOQUVXNTB-OYZXLFCSSA-N	592.306	5.938	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408683466	LHUOWORENTXIAF-MSPXFKQSSA-N	646.119	5.237	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408689773	ZAZZZOKOCCPHMS-MSPXFKQSSA-N	601.122	5.329	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408727044	XVAOHVIRBXXEDK-ODLFYWEKSA-N	569.355	5.641	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408727689	GDGIAZAXUYLAQY-KBKYJPHKSA-N	526.214	6.399	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1)CCCC3	408732987	UWRNNVJBAHGQFM-KVSWJAHQSA-N	616.335	5.629	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)CNc3ccc(C)c(C)c3)c2-c2ccccc2)cc1	408742512	PLMOIPMGXILYHY-GUBAARJWSA-N	542.683	7.389	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc(C)c3)cc2Br)cc1	408743570	GTBBAQWVMZHAJE-BKUYFWCQSA-N	521.411	6.290	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)c1	408746004	QDUVLLRZVHJDRI-JAIQZWGSSA-N	617.281	6.886	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1	408747043	YHTWAIPDMLOLJX-IUXPMGMMSA-N	680.236	5.758	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Cl)cc1	408750105	KLROJFKMTDDZGL-CAQPMQTCSA-N	519.428	6.267	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc(Br)c1	408752137	GBHQYDBANBEUER-UUASQNMZSA-N	706.987	8.248	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408761198	CILGQZUGKWHCIP-DHRITJCHSA-N	510.369	5.052	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Br)c1	408761928	ILTSFXBJCJXZCR-PXNMLYILSA-N	564.636	7.129	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccc2c(c1)OCO2	408762234	DICCGBHPGPMOAX-UUYOSTAYSA-N	561.432	6.430	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798690	WNYIDBUUCGMULP-KOEQRZSOSA-N	539.429	7.153	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(C(=O)O)cc1	408799191	YJILCPPOINOFNZ-SRZZPIQSSA-N	535.394	5.897	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1cccc(F)c1	408799548	ZQDRIYHDQGERMS-DJKKODMXSA-N	590.820	6.916	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408825781	GCPWJZPMJHEZLO-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccccc1	408827605	LLMWSXFGACWBOE-NLRVBDNBSA-N	583.482	7.551	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccc(C)cc1	408829490	PHFOCNZMCVUHQS-GOJREDGKSA-N	591.733	6.635	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCC	408833006	RGBFXUKWRHINSL-VGOFMYFVSA-N	509.784	5.463	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408835686	XYIDOIXHGGWPIH-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
CC/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1	408838684	ZGZSXMSVSPAKNL-VFCFBJKWSA-N	550.464	5.136	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCC#N	408841216	DERSLORBHVPILJ-WCMJOSRZSA-N	590.503	6.690	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	408841738	KKMYMKIJLKPBHG-VQWGYEAZSA-N	656.133	9.376	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)cc2)cc1	408845469	FPQZMHPJTLWYFV-ZXSNDDASSA-N	503.577	6.935	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408846762	KUUPIOLVJGLZLF-AEVGBRMKSA-N	667.818	9.518	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1C#N	408851626	DQIFPOAAPWQRRO-CPDSRJINSA-N	644.263	6.413	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408855188	AFPFVJHYMTXYHI-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1	408858439	SBYUTSMBLUXMGM-CAQPMQTCSA-N	523.976	6.828	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408861579	DCNJJLIJEVHHNT-MHDJOFBISA-N	630.391	8.400	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408862444	JNXPGHIENHJGIF-XKJRVUDJSA-N	649.778	5.913	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc(Br)c1OCc1ccc(C)cc1	408863440	RUSPOKOTDPYNDS-XODNFHPESA-N	592.353	6.491	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1Cc1ccccc1Cl	408866468	FXQZFHQFYBAUDG-LICLKQGHSA-N	516.222	6.901	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408874021	YROWQHQWZDYXBA-FDAWAROLSA-N	609.546	5.519	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Br)c2)cc1Cl	408874054	XYXAQBDLGLXUTH-VXLYETTFSA-N	544.674	7.310	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1Cc1ccccc1Br	408877957	YWSXWBYZSYYNKE-LICLKQGHSA-N	591.218	6.338	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1Cc1ccccc1F	408878170	XIWUQNIMLPGUOJ-GIJQJNRQSA-N	560.794	6.537	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1cc(C)cc(C)c1	408887016	LFOSCODQOGUIQJ-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408887047	LOTNUMQLBSQGHL-LZYBPNLTSA-N	621.669	6.906	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1Br	408889691	IZSNGMWZPCLPHH-LSHDLFTRSA-N	547.041	5.311	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OCc1ccc(Cl)cc1	408889700	FXKWKEKXCSSIHQ-ALQBTCKLSA-N	551.127	7.311	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1	408895059	LRRGHDVQSPRWPH-KGENOOAVSA-N	640.430	5.640	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1ccccc1Cl	408898963	YRMAGSILSSPJDC-WOJGMQOQSA-N	590.699	7.307	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	408900384	VLEJWHNBELEPPG-OVCLIPMQSA-N	568.296	5.820	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)cc2Br)cc1	408923891	KXGVESLQZLLKIS-FOWTUZBSSA-N	639.265	5.376	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	408924133	LKFFFHMKQJCOIM-CPNJWEJPSA-N	541.356	8.290	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)cc(I)c2OCc2ccccc2)c(OC)c1	408924932	QTDJRLDHKXEHEF-DMFIQNIRSA-N	824.410	5.204	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12	408942021	FDXCOOKZZCMJLC-JGCGQSQUSA-N	643.165	5.957	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(OC)c1	408957093	SGAOSNLVQUEESD-QVTHKRDASA-N	710.398	6.608	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccc(Cl)cc2)c(OC)c1	408957169	SPHGHKXBRPBKKR-VVYBVRPNSA-N	811.855	6.015	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408963495	BXPMBETWWMAZEF-AMVVHIIESA-N	534.355	7.144	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)cc(Cl)c1OCc1ccc(F)cc1	408973553	UFUPDYYANXVCAG-UDWIEESQSA-N	535.000	6.625	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408980976	UOYMYRYDURBIMY-VOWJQMTESA-N	582.495	5.588	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	408982926	ZTLMYQWAQXQCGU-YUFMIYQMSA-N	527.624	6.430	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)cc1Cl	408989858	JDIYPUWCYSYDHV-XDHOZWIPSA-N	500.967	6.802	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C(\C#N)C(=O)Nc5cccc(Cl)c5)cc4[N+](=O)[O-])sc3c2)cc1	408990678	LIYQTMUJWFJAGC-FYJGNVAPSA-N	626.119	8.116	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC	408995257	BDRNMPXGXPBGBU-KVAAJVFYSA-N	622.461	6.255	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	409002636	OUVNQKYPWASYFB-OKCVXOCRSA-N	632.383	5.501	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1	409007857	ZWRVZCUUPYHEEG-YGDCAYNJSA-N	587.632	6.037	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008271	UWTDSGGABQHDJE-QRQIAZFYSA-N	581.757	6.926	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1	409040639	HGSCPQNEUFXCTC-VCHYOVAHSA-N	544.218	6.784	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409046372	KHBQDVRDAITQIO-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409118688	QKILQLBUGZGAMU-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)cc2)cc1	409128843	SOEONOPXZYLVOY-BIZUNTBRSA-N	591.089	5.255	50	40	KKGB	
O=C(Cc1cccs1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409198088	WSOOAMQXXXDUAZ-FSJBWODESA-N	508.235	5.545	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409222333	BWHXMZIFURLUNZ-ZKFZKGQISA-N	647.869	6.646	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409229950	AFSRKMNBXQVYOI-MFOYZWKCSA-N	674.198	7.039	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1	409248252	DBWYLVCVUZRSQK-HQDYHJHZSA-N	640.563	7.406	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl)Nc1ccccc1	409264812	QRKHYFSGVCYPNN-DLCNMLRHSA-N	616.530	7.642	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccccc1C	409265777	PBABFEWCJCPWDE-DEDYPNTBSA-N	523.511	5.976	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl	409318018	SNPCYHQTAAPEBR-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1ccc(Br)cc1	409374093	YAXNZZRQUYWQQC-WCMJOSRZSA-N	567.867	7.006	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br	409380745	HPAPTWXGUXPZOG-SFQUDFHCSA-N	524.346	5.160	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1O[C@H](C)C(=O)O	409401110	GKTGTTUVTPZORM-ULWKOHHTSA-N	644.906	6.306	50	40	KKGB	
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC	504321940	KASDHRXLYQOAKZ-FFWOMKLQSA-N	810.466	5.719	50	40	KKGB	
C[C@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)N(C)[S@](=O)C(C)(C)C	1857795234	XEDQKICLGCSFKO-KCIZENJTSA-N	555.724	7.331	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	729018	BBJVZXURZWQDLZ-RUZDIDTESA-N	587.023	6.967	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)cc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1884729	SFQRFAZYHPDQSS-FDAWAROLSA-N	559.692	5.500	50	40	KKGB	
COc1cc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	2080010	DJQXVTIJYFNVGK-PLDZGXPLSA-N	520.582	5.067	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(Br)c1OCc1ccc(C)cc1	2143421	FHCZFQVAUWBYIF-AREMUKBSSA-N	527.418	6.717	50	40	KKGB	
N#C/C(=C\Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1	2197614	GTAIHAYMGKZXKE-HMMYKYKNSA-N	507.641	5.191	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1	2670758	SWNULDOCXBMXCC-RVDMUPIBSA-N	514.821	7.500	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1F)C(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl	3669852	OMOZRBIRKSCXDB-OAQYLSRUSA-N	535.244	6.836	50	40	KKGB	
CCCCCC1CCC(c2ccc(C(=O)NNC(=O)c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)CC1	6471855	MKVYOMAHTSXHCI-UHFFFAOYSA-N	544.824	9.470	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)o1	8398800	VDEFSDZZDPYACI-JTOYJDTJSA-N	572.621	5.965	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H]1c1cccs1	9070215	NXFFSKXBGAUAJG-DEOSSOPVSA-N	508.068	6.678	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1Cc1ccc(F)cc1	10118567	PSXSDIOMIPYXIQ-MZJWZYIUSA-N	511.338	5.506	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1C	13189402	SAYSOTMCBWNMNI-VWLOTQADSA-N	506.071	6.394	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1	20028777	UNVGQXWGPSRFDA-VWLOTQADSA-N	524.086	6.312	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	20198005	LSQLJSSLYUFRPZ-BIZUNTBRSA-N	517.025	7.024	50	40	KKGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	28213776	SIQQWOYIKMKNKV-UVHMKAGCSA-N	502.423	5.394	50	40	KKGB	
CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccc(C(C)(C)C)cc3)c3ccccc32)cc1	46084846	ORDHYVMKKKRSNT-BNIPGBBVSA-N	527.665	5.607	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1	59889027	IMYORJCERJNJHA-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccccc1O	97966033	WUPFGMLUCSEHBI-CCVNUDIWSA-N	648.238	6.098	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N\NC(=O)COc1c(C)cc(Br)cc1C	97968602	ODTRHXMHAWSEDC-UYOCIXKTSA-N	549.057	5.129	50	40	KKGB	
CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1	97979230	ITVPYDDKDGMVHX-PPRFWAEMSA-N	534.410	5.537	50	40	KKGB	
N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@@H]1c1cc(CSc2nc3ccccc3s2)cs1	98008406	MADBOGPUPGGYLI-VWLOTQADSA-N	561.157	7.608	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(C)C)cc2)=C(C#N)[C@H]1c1ccco1	98048661	CKKCVQNZSFWHBS-LJAQVGFWSA-N	554.716	6.980	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccccc2)cc1	100240111	HFQLMTJPIXDPQJ-AJBULDERSA-N	544.677	5.147	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OC(=O)C12CC3CC(CC(C3)C1)C2	100948098	QEBRLZXEJXTAKS-AWQFTUOYSA-N	532.438	6.520	50	40	KKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1	100987625	SWBQSCMUBDRHRJ-WLRTZDKTSA-N	516.759	7.259	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1	100990700	FGWRCDKDVOVDRJ-HVBJHMBASA-N	541.982	6.101	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Br)ccc3N[C@H]2c2ccc(Cl)cc2)[C@H]1Cl	101147890	KFXQFKKNORQDIZ-BQEPTVRSSA-N	550.305	8.049	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1	101178613	RBBOPARJSZWUTF-JHGYQWQCSA-N	577.287	6.092	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cc(Cl)cc(Cl)c2)=C(C#N)[C@@H]1c1ccco1	101305272	XRZFAOFSANRUIO-HSZRJFAPSA-N	554.455	6.355	50	40	KKGB	
COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1	103767302	LXIBPESJPZJZNH-UHFFFAOYSA-N	606.542	5.611	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(C)c(Cl)c2)cc1	103896557	ZKGHXZBMOPCORB-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(C(C)C)cc2)cc1	103900959	LXGQUXSPWRMUEH-GUBAARJWSA-N	605.760	7.196	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cc(Cl)ccc2C)cc1	103901381	DBMQDUOXUWRSEP-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341913	FGQWUSKFGXQYDQ-FQEVSTJZSA-N	926.512	15.112	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C\c1ccccc1/C=N\NC(=O)Cc1ccc(Br)c2ccccc12	150351376	CLXBQHNVWADYOY-ZIVFCYQMSA-N	656.378	6.904	50	40	KKGB	
CCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCCC	150382847	ZCQRAHOCIBGXEB-LIIBOVGXSA-N	652.637	8.926	50	40	KKGB	
CC/C(=C(\CC)c1ccc(O[P@@](N)(=O)N(CCCl)CCCl)cc1)c1ccc(O[P@](N)(=O)N(CCCl)CCCl)cc1	150396832	PKIOPYYOOBASFD-JAYSOMDRSA-N	674.374	7.868	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	162392295	VKALWOHMZFJHQC-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(=O)(=O)c1ccccc1	162474877	CVNDACMQSQGURK-XJECJHNESA-N	721.457	7.006	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)cc1	164701156	ZBLRQSWRHVXYBZ-HAHDFKILSA-N	689.335	6.039	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795463	XOXBKDJLWQMKFB-QZTJIDSGSA-N	942.330	13.772	50	40	KKGB	
O=[N+]([O-])c1ccc(OCCOCCOc2ccc([N+](=O)[O-])cc2CP(=O)(c2ccccc2)c2ccccc2)c(CP(=O)(c2ccccc2)c2ccccc2)c1	196388236	NILORVNBZKDORA-UHFFFAOYSA-N	776.719	8.006	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(C)c1	216040355	FEHIFCTWQHRNOZ-QDTIIGTASA-N	520.254	6.645	50	40	KKGB	
COc1cc(COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	408537023	BWTCOPMDXZTBBR-BWAHOGKJSA-N	525.004	7.052	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccccc3)cc2Br)ccc1OCc1ccccc1	408539607	IPYYQBXJTJGVIO-KYHGBAKBSA-N	624.329	7.142	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccccc1C#N	408569248	MMTXVDRGGIEETP-FJEPWZHXSA-N	598.544	5.916	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccc(Br)cc1	408570244	SZJUWOLJTADZKY-IPPBACCNSA-N	652.430	6.807	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	408579249	FIORZXRZKQQBRZ-WOJGMQOQSA-N	637.699	7.187	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408580445	PPVYRGDIIMAVDC-DJKKODMXSA-N	518.824	7.706	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1	408599333	SQBRKVXXXNEFFD-IPPBACCNSA-N	672.732	7.190	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	408599568	WMFFWWXKSRPONQ-GRSHGNNSSA-N	503.223	7.798	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1	408611663	RMDXDXRACFIGOA-RWPZCVJISA-N	500.382	5.450	50	40	KKGB	
CCCCCCCCCCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1	408676896	AMNCJQDYLQYYLT-NENAYYCWSA-N	520.464	5.494	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408726110	PIYDWQXRFVOOGZ-CIAFOILYSA-N	525.830	6.304	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1	408729201	YGEQPDSWEAZLHB-XODNFHPESA-N	545.817	5.502	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C\c2ccc(-c4ccc([N+](=O)[O-])cc4)o2)cc1)CCCC3	408731430	KNSYUONGNJWEEJ-UHBFCERESA-N	553.600	5.567	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccccc1	408742337	OKQCWWOCZXQBNY-GRSHGNNSSA-N	537.211	6.208	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)ccc1I	408746748	GOORULUAYYQQLL-LUOAPIJWSA-N	769.997	6.772	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](C)Sc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751486	PKQSVDGLSQPOLW-NWYDVYNZSA-N	532.109	7.196	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2I)cc1)C(=O)Nc1ccc(Br)cc1	408753827	ODSFEZBRRSMBEH-LGMDPLHJSA-N	602.226	5.617	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cccc(Cl)c1	408756196	OITDHDSDLCERBM-IPPBACCNSA-N	572.684	7.361	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408757128	XCEWBKGZDYQSPP-JFLMPSFJSA-N	584.404	5.051	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Cl	408760730	FBQHXPQTVBNRQB-ZROIWOOFSA-N	597.230	5.977	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Br)c1	408764742	YDZWYKYIBKBANR-MFOYZWKCSA-N	577.191	6.317	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408790099	NPFIKCOMUFLYSJ-YBFXNURJSA-N	555.812	6.022	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408819752	RRKHOQMIINCVDT-NHDPSOOVSA-N	521.957	5.458	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408824955	IJGHPOMXOFYWSR-HZHRSRAPSA-N	574.420	7.605	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408826441	DGYQGAKXMBSLCE-FMFFXOCNSA-N	595.508	5.981	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c1	408828002	KRICWJLQKUJNNF-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)cc2)cc1	408835464	YUEWJHAUJKMCDG-BUVRLJJBSA-N	622.346	8.768	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2)cc1	408838976	LDTOATPCSQDWRZ-DPNNOFEESA-N	553.087	7.858	50	40	KKGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Br	408839639	UXBJOMIVSFLNGK-IPPBACCNSA-N	579.476	5.940	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408839713	VOZBOAWVIJGKEK-ODQASSKESA-N	711.967	8.404	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408849254	VWNYXCORJFENRB-KYMQWJLESA-N	627.116	7.616	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)ccc1Br	408853062	KZBPEKRKKDAOBI-GATIEOLUSA-N	503.784	5.672	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408858371	YQPHQFNXLHSFCD-RAWMCFOBSA-N	514.763	5.718	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2cc(C)cc(C)c2)cc1OC	408860506	XFKMFBSXZWHCBA-FMFFXOCNSA-N	587.698	5.245	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408864279	UYTFKOGWLNIDDV-NDZAJKAJSA-N	520.471	5.676	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	408871886	YWYJNRFXKQBXFQ-KOEQRZSOSA-N	557.875	7.818	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)o1	408876135	NJQCTEXWUHLTFO-NSKAYECMSA-N	562.391	5.674	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(Cl)cc1Cl	408876675	NBMFQOHJRQERLA-NCAUGAEKSA-N	685.514	7.199	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cc(Br)ccc1O	408877401	VQVTVLRCQJTCRJ-GATIEOLUSA-N	583.074	6.023	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408881834	ORQGVVUYXCDADA-LDADJPATSA-N	667.319	6.074	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1cccc2ccccc12	408881918	MZLCPLRWCWSJQO-YZSQISJMSA-N	533.027	8.170	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1	408884154	XWDXUTQODHZVBH-KKMKTNMSSA-N	516.406	5.965	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1I	408886022	CTPNCJVSLMAVTI-FSJBWODESA-N	570.168	5.212	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2OC)cc1	408886032	CXHFHQIOCICJLK-LICLKQGHSA-N	633.236	5.836	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(I)c1	408886968	KNQOSVCADQSUGQ-LZYBPNLTSA-N	628.091	7.485	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1C(=O)O	408888892	CLDAHGVGFRNJNA-GZTJUZNOSA-N	511.759	5.925	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccccc1	408890002	MKRQZWAARJQLPQ-WOJGMQOQSA-N	507.340	5.281	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc(I)c1	408892575	CQHYSCPZDALVEJ-LFIBNONCSA-N	549.195	6.723	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408899867	RGBBWGCHSBZRJJ-XNTDXEJSSA-N	548.360	5.224	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc(Br)c(Br)o3)oc12	408951271	INEKOLRVNOSVAH-KPSZGOFPSA-N	520.959	5.086	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1	408952002	UWEYSAMRTMUWDS-JGCGQSQUSA-N	608.720	5.304	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC(C)C	408963594	GWLGBTDXMZNTRE-PLGBICIBSA-N	665.412	6.587	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1	408989512	HYWURTSMPWSTOL-ZSYWYLNFSA-N	694.751	6.484	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408994855	HFTLHAJDVPBDPM-VTNSRFBWSA-N	512.997	5.727	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N\NC(=O)COc3c(Br)cc(Br)c4cccnc34)c3ccccc32)c1	408996223	OWXDMGZTCFLQTP-LPEPFOFCSA-N	606.318	6.600	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccc(C)c1	409000749	FRGLIXDQKPXPCW-FABQOPTDSA-N	590.463	6.936	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1	409000767	XTVAQBBQCLZXOI-ZAVGGQCXSA-N	506.400	5.025	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409011646	GSLPJYCTUMZOPS-IDLRGBTASA-N	607.582	6.982	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OCC)c1O	409012301	QFUSUFVYJNTWSI-BHGWPJFGSA-N	569.193	5.397	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1	409031076	GHERYYSEOIXOTI-MZFJOGFUSA-N	532.556	6.162	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1	409055473	ISSMTSYUYUNHBS-MHWRWJLKSA-N	503.363	5.321	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1C	409116508	KNBTZRAKZSWSAP-UHIZKJEFSA-N	580.592	6.401	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)Cc2ccc(Cl)cc2)cc1	409120433	VQWTUOALFXVKAU-ZCTHSVRISA-N	548.064	5.782	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	409127260	QKKIHYQUSLIWIT-RDRPBHBLSA-N	612.493	5.044	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)C2=C1CC(C)(C)CC2=O	409141464	HZRQIIPFQDLCCL-VWLOTQADSA-N	652.360	6.560	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(O[C@@H](C)CC)cc3Br)cc2c1	409186707	GUGAEBMSKUMXJE-OPAMSOAESA-N	503.393	5.934	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(I)cc1	409213951	UPYVGQDHEPHVRW-ZDLGFXPLSA-N	591.199	6.614	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2Br)c1	409236877	GMOZJEHRVIMJBQ-WQFTWXBESA-N	554.282	6.883	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409238513	KTURXYBDPFPGMC-ZDLGFXPLSA-N	590.352	6.899	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(OC)c2)ccc1OCc1ccccc1	409248729	FQTXCQFYJHXNTG-KMUKQRDJSA-N	602.087	6.416	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccccc1C	409256291	NDPDDTYKMPRBTQ-XDHOZWIPSA-N	568.855	6.373	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1C	409267407	VNEOMBCFBQLSFM-CIAFOILYSA-N	503.986	5.837	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1	409269896	AUBGPCCWOWWTSV-NHDPSOOVSA-N	611.334	7.008	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1OC	409317872	SKHJEOKTAGCTQU-FDVSRXAVSA-N	515.444	5.743	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1OCC	409319017	ZZLKWVHUEPPQBL-LQNQUEJISA-N	555.469	6.297	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	409321005	DQRIVTDBMCJPKG-BVMLUPFRSA-N	618.912	5.998	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OCC	409321721	HEYDWVSSAZBDSG-LQNQUEJISA-N	602.469	6.139	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371809	OXFVWOUUELRQCL-IUXPMGMMSA-N	551.167	7.149	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1	409373544	QIUCXMRGRUPSBP-WKULSOCRSA-N	615.265	6.558	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1	409375839	PUNMPRGMGMEUEB-UVHMKAGCSA-N	549.796	5.094	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(Cl)c2)ccc1OCc1ccccc1	409380397	MHBCJDXJFPIXDS-FZKWRIDDSA-N	588.060	6.108	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2)cc1	409383257	VKLNWSJZTSPLLH-APTWKGOFSA-N	577.666	6.344	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(Cl)c1OCc1ccc(Cl)cc1	409383868	MPFKYXYDHZBHFN-CCVNUDIWSA-N	503.382	5.752	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409385992	NBNIDMGDHGJLPN-WKULSOCRSA-N	607.429	6.910	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)c2cccc(F)c2)cc1I	409390362	FCSUMQYVNWCKNN-AUWJEWJLSA-N	531.106	5.664	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409394831	GLZGHADRXUODQG-UHFFFAOYSA-N	739.804	7.930	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)cc1	409394878	GZALKACZNIVGDL-UHFFFAOYSA-N	779.110	9.721	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)cc1	409396663	ZWHUNPFLBUPHMY-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)[nH]c12	409396750	ARVOIPSOIIGRJD-UHFFFAOYSA-N	597.027	6.951	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OC(C)(C)C)c([N+](=O)[O-])c3)o2)cc1	409401694	IAWGQFOBPAGUDE-LQNQUEJISA-N	530.581	6.116	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3O[C@H](C)C(=O)O)o2)cc1	409404329	PVXBVEWRNXBBMY-DLIVZJNESA-N	535.984	5.535	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc5c(c4)OCO5)c(Cl)c3)o2)cc1	409404920	RJHAOEXODIIMLJ-HTVDVWKISA-N	632.500	7.645	50	40	KKGB	
CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409409387	ONBXAKTVMSRLAA-GKVNEZTPSA-N	605.691	7.058	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)c(OCC)c1	1529546745	HFGWYCFKFRVOCK-MJJWSTQNSA-N	728.609	5.154	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)n2-c2ccc(Cl)cc2)cc1	1807300	PPBKDKYESQTIMK-AMVVHIIESA-N	529.975	6.157	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)n2-c2ccc(Cl)cc2)cc1	1828068	ZQOFVUGEVNHDFF-OCSSWDANSA-N	518.086	6.436	50	40	KKGB	
N#CC1=C(N)N(c2cc([N+](=O)[O-])ccc2Cl)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl	2761625	ACDSZFZFNCBEDY-QUGAMOGWSA-N	531.399	6.600	50	40	KKGB	
Cc1ccc(N/C(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)=C(/C#N)c2nc3ccccc3s2)c(C)c1	3223115	RQKAXZMQPILUOR-LKUDQCMESA-N	554.619	7.488	50	40	KKGB	
CC(=O)Nc1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1F)N2	4063778	PREJUUCGALKQSW-YSUFFMFVSA-N	512.006	6.731	50	40	KKGB	
O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCCC1	6445814	GBKPKVQLURYXHU-ZXTWZYEISA-N	579.078	6.778	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@@H](c3ccccc3Br)Nc3ccc(Cl)cc3[C@H]2[C@H]1Cl	8440882	RBCMVAUBLNSVGY-AAKLWPEZSA-N	550.305	8.049	50	40	KKGB	
C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)COc1ccc(Cl)cc1Cl	12629426	ZWFQHJXOKFMFFT-STBIYBPSSA-N	500.382	5.472	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccc(Br)cc1	32576855	HCYQZESVBNBXIY-ZMFRSBBQSA-N	513.848	5.743	50	40	KKGB	
CC(C)COC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1	40476990	SHKQZFWVFUCHJD-PDGQHHTCSA-N	505.983	6.359	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccccc2Br)o1)c1ccc(NS(=O)(=O)c2cccs2)cc1	97980857	UJWSTRYHZOKMIV-ZVHZXABRSA-N	530.425	5.335	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1	98001360	CDGXVHMOCDJJLB-LUOAPIJWSA-N	601.078	6.267	50	40	KKGB	
C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	98045850	PEAUAJMHJMYSJM-KBVAKVRCSA-N	591.535	5.660	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	100081510	STTASEVGNOJZGA-BIZUNTBRSA-N	607.574	6.326	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1cccc(Cl)c1Cl	100117371	MOUTVHYKAWYZEB-VYVUJPJFSA-N	531.749	6.162	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100120041	QREWEZDSKFFCEU-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1cccc2ccccc12	100134026	UWIYWYHPBWSPKN-YDZHTSKRSA-N	618.427	6.666	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	100232901	TVJMHHQEJNBIBG-ODLFYWEKSA-N	558.226	7.162	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)Cc2ccccc2)cc1OC	100303983	BQKPYWVELIHYHG-FZPRHHONSA-N	629.566	5.759	50	40	KKGB	
N#C/C(=C/Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	100947122	JLYSFHKVBLHRSM-PDGQHHTCSA-N	514.312	6.450	50	40	KKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	100980453	YUTRFSWAZHGHHB-BHZNVDEZSA-N	522.457	6.675	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3ccccc3nc2-c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cc(OC)c(OC)c(OC)c1	100986211	XAJOCGILDCAWQG-MHZLTWQESA-N	610.692	5.740	50	40	KKGB	
CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4o3)c3cc(Br)ccc32)C1	102564892	KDBOCECLKIZFHX-VLZXYUALSA-N	596.551	5.408	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1cccs1	102719457	DKXSDRLIJOTIFN-VWLOTQADSA-N	551.093	6.117	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	102810188	IFMLMWGOQMLUOR-AREMUKBSSA-N	533.028	6.186	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	103899056	DBZFHRXQVNHSRH-OCSSWDANSA-N	600.535	5.293	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](Br)CBr	150341078	ZYFLRTOFRKYGGJ-REOHCLBHSA-N	605.908	7.154	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342201	PWBMFHIUHUYCHQ-UWTATZPHSA-N	792.030	9.658	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1	150383030	FYAJQOMDRFWIIU-YAMYSANFSA-N	642.568	7.980	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	164735458	XABQDKSOPYENMJ-NVNXTCNLSA-N	753.987	8.090	50	40	KKGB	
CC[C@H]1CCCCN1[P@](=O)(NC(=O)c1c(C)c(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n2ccccc12)N1CCCC[C@H]1CC	263621435	NDACKXXKOCBNQJ-LHLZLIPQSA-N	628.110	7.407	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC	408538587	OYTYVNKDGWKHFY-QGOAFFKASA-N	505.840	7.006	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(C#N)c1C	408547165	SNRYNMGFRGYFDI-OVCLIPMQSA-N	509.927	5.645	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552213	PGOVOZUUQLFVAY-YBFXNURJSA-N	510.377	5.243	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3cc(Br)ccc3OCc3ccccc3)CC2=O)cc1C	408611828	WUUVEOUGJOUXNQ-FQEVSTJZSA-N	508.416	5.141	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1cccs1	408644403	RBOQVJARQLTCQI-TUVASFSCSA-N	623.150	5.217	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408649121	XNHQKPWAAOJIEA-ZDNVTZCJSA-N	719.364	5.038	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408686287	RIBVMNBKJLRZIE-PJBUMPDVSA-N	645.573	5.438	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccccc1	408740707	DLLGXLMHTDRBSO-YVLHZVERSA-N	577.191	6.317	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(I)c1OCc1ccccc1	408743103	ZGQBIVJQTWVPIM-WCMJOSRZSA-N	613.883	6.704	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2C)ccc1I	408743370	SKNIYHWBYCOLLL-HZQMBONKSA-N	674.586	8.896	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408755971	QBRUQECJEJQILW-VTNSRFBWSA-N	540.417	6.259	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccc(C)cc1	408765092	ZHLHPLVETXEMQK-JAIQZWGSSA-N	570.281	7.043	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc(C(C)(C)C)c1O	408765550	MBSRKXKLUFUKEJ-UZWMFBFFSA-N	500.639	6.289	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408771039	DSHVTCILSQPTKV-HAHDFKILSA-N	560.879	7.635	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408773343	PTFIOEGSPRBAFM-OCKHKDLRSA-N	574.378	5.577	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1cccc(Br)c1	408784598	VNXKXUDFOBEWJE-NVNXTCNLSA-N	523.692	7.886	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1	408787711	FGONTAHSAFXTOD-YBFXNURJSA-N	621.700	7.394	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1ccc(Cl)cc1	408788556	DMCSIGXQXRPHIF-XDHOZWIPSA-N	541.829	6.634	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccccc3F)cc2Br)cc1	408791769	CDOZNBSARVGCHX-DEDYPNTBSA-N	539.401	6.510	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1C	408805041	CNRLXCRDXGZZON-SRZZPIQSSA-N	509.831	7.152	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	408819961	SBTGGESFSOTEMD-QRVIBDJDSA-N	700.314	6.860	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408821410	HBEJBVJYFITVFM-OEAKJJBVSA-N	638.345	8.468	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408833268	XGQCOPQZDUITQE-VQWGYEAZSA-N	815.754	6.657	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408835100	MJQPGWQTSSNZDE-OVVQPSECSA-N	593.510	9.159	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408836278	ZYMPLTMVBKGQOD-LPYMAVHISA-N	642.764	9.113	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408837081	YSEZHMMDNNIVBO-JVWAILMASA-N	645.981	8.822	50	40	KKGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408837682	LFUUHYFYYNPULG-IPSZARIFSA-N	529.818	5.862	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccccc1Cl	408838706	HJSOHKDZACYKAX-XZYGTATASA-N	597.140	8.257	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838711	HLPXXAVZGDEWIJ-QQMJPZKZSA-N	765.742	10.382	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408839086	MTYLLTQGRKWRFC-ZCTHSVRISA-N	556.416	5.613	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cc(Br)ccc4O)cc3)sc2c1	408840548	ZFNDMYSUFRCZHL-KKMKTNMSSA-N	542.842	6.347	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408845245	PSDRLVKZNXEION-RBWYEQHESA-N	757.504	10.364	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	408845910	PVBGUOASQCFAGD-UXHLAJHPSA-N	522.517	5.139	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC	408846143	XQUGRKPKOAUHMA-PNQUVVCRSA-N	629.455	5.701	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(F)c1	408853790	SDRNMBKOPLSOHV-RHKOWXKBSA-N	543.642	7.663	50	40	KKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1C	408857246	FOWKDRSAWBZATN-GCFUEJLLSA-N	533.481	5.013	50	40	KKGB	
COc1cc(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1O	408858506	POEFMULQCJRFLA-NTFVMDSBSA-N	551.384	5.535	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1Cc1ccccc1Br	408867972	LWENYLIQOVHTBJ-UDWIEESQSA-N	601.282	6.897	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)cc2)cc1	408881799	MGDSSCPACFVKIS-RCCKNPSSSA-N	505.368	5.750	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(=O)c1cccc2ccccc12	408884868	YUJKPXMBLQRELO-XSFVSMFZSA-N	541.947	6.565	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OC(=O)c1cccc2ccccc12	408889878	KIGVMMVBEDWTNA-DEDYPNTBSA-N	713.220	8.599	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccccc1Br	408892585	CSHCIEGOJTYOOT-LICLKQGHSA-N	668.123	6.949	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1Cl	408938932	AQKBMCVPBQFASA-HHHXNRCGSA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1	408941589	DXUURLXQEAFAKK-LJAQVGFWSA-N	699.599	5.451	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1	408947049	ACHHQADJIQKHFV-WKIKZPBSSA-N	613.677	6.449	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c(OC)c1	408950932	HVMZBVNZFZAHEM-SXHRZNMRSA-N	667.675	5.056	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)c1	408957257	TUONKYCUOXFUFT-LOMSXHPKSA-N	671.534	5.310	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C#N)cc3)c(I)c2)c(OC)c1	408957380	UGEHCODAAIEIPG-DLVDTJDKSA-N	849.420	5.075	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1Cl	408962335	HMVVRUMVGZVFTP-VVEOGCPPSA-N	511.327	6.754	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OC(C)C	408972590	PJNYGTLASLZZRG-HRMYGOSUSA-N	562.505	5.003	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408982030	FHDQBOZVXTYEDH-ZDLGFXPLSA-N	556.800	6.452	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1C	408999025	VUKJLUNLJRDWLN-XKJRVUDJSA-N	683.284	5.352	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409039704	RXEKOPVUGWYRDY-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	409050174	ZVUJQSMJSISAHG-NTUHNPAUSA-N	509.154	5.454	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409060617	VKBZIXMXFHTQTB-HNSNBQBZSA-N	575.662	5.063	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1Cl	409068815	ISOGOIQHVOCWAI-XQNSMLJCSA-N	502.998	6.600	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409122578	ZUSZBDCJZQOSHM-CCVNUDIWSA-N	538.884	5.550	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409172996	NMDJFSHBVUCZGM-PNQUVVCRSA-N	622.303	5.488	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1	409192400	WSVRSMQQAOFSLG-AQLQTECXSA-N	603.447	7.501	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Br)cc3)cccc2[N+](=O)[O-])cc1OCC	409217221	ALFHKLSTCZKWOD-DICXZTSXSA-N	556.369	5.138	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1	409237589	AEGFMZJDCWJBRF-PKAZHMFMSA-N	511.021	6.737	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1cccc2ccccc12	409238841	LNQNMYQYQZSWKG-FJEPWZHXSA-N	535.069	6.120	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)c1ccccc1	409239349	MDXWLVVYCXDEHS-IWEBCOIVSA-N	652.245	6.398	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)c1	409253997	HHPHMBJYEBOYGC-WKIKZPBSSA-N	575.257	5.310	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OCC	409315684	KGUWTVPSOGMQBQ-FDVSRXAVSA-N	608.860	6.094	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409322008	VOPBLNNHGVSLQA-RBUKOAKNSA-N	603.311	5.809	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	409323712	PLBUWEWUFJSYGN-FDVSRXAVSA-N	515.393	5.918	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1	409325985	FFFJKMQEVNYSMY-NKHVPTTDSA-N	715.826	7.542	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409366741	VLUCBKPQXPLHEP-IPBVOBEMSA-N	663.656	5.830	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)[nH]c2c1	409371310	BZAPMAAKOBXACP-WQRHYEAKSA-N	536.329	6.027	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409372569	LUJXOTHDOROYGU-ROTLSHHCSA-N	547.749	5.191	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)cc2I)c1	409374519	RSTSZAXGDGGWKK-GRSHGNNSSA-N	631.255	7.032	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409385584	LOQDEVMBPSKSTI-RPPGKUMJSA-N	544.814	6.568	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409394435	AHZSMFSISYKRPP-UHFFFAOYSA-N	715.320	8.370	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409394591	CNAAFMMEEGIKCH-UHFFFAOYSA-N	600.400	6.448	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(C)=O	409395222	LEPVVACWISCCQQ-UHFFFAOYSA-N	710.968	8.321	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396413	PMDGZLPBQFKXHY-UHFFFAOYSA-N	636.026	7.898	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398115	QRTZXLLXCQPXHA-UHFFFAOYSA-N	674.451	6.730	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398434	SZAMVTYBIQZXLD-UHFFFAOYSA-N	692.950	7.268	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409399196	YHOGQZXZFBHQKG-UHFFFAOYSA-N	588.063	8.023	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1	409399231	YNEFINQEGSTOIN-UHFFFAOYSA-N	555.993	6.928	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1O	409401468	HDHOSGWOQPQMKA-UHFFFAOYSA-N	538.398	5.507	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccc(C(=O)O)cc3)o2)cc1	409402244	JJGKLABCHPCNQP-FZKWRIDDSA-N	563.610	6.307	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)cc1	409409796	RHJMXSHFYWTDGG-APTWKGOFSA-N	520.633	6.746	50	40	KKGB	
C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@@H]3[C@H]([C@](C)(C/C=C/C(C)(C)OO)O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@@H]4O)CC[C@@]32C)[C@]1(C)CCC(=O)O	1775964074	QJHBVGJDEBZDIX-YQMOOTTKSA-N	680.876	5.263	50	40	KKGB	biogenic,in-vitro
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(C(C)=O)c2)NC2=C1C(=O)CCC2	2310018	FALCJJQUGVRGLD-SANMLTNESA-N	501.608	5.089	50	40	KKGB	
CC(C)CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c2ccccc21	2345794	ACTFNHQKJBJOSI-HKBQPEDESA-N	501.590	5.304	50	40	KKGB	
COc1cc2c3c(c1)-c1c(sn(-c4cc(OC)ccc4OC)c1=S)C(C)(C)N3C(=O)C2=C(C#N)C#N	2415477	UCMXIHSOSJQYRK-UHFFFAOYSA-N	516.604	5.357	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3cc(OC)ccc3OC)cc2)sc2c1CC[C@@H](C)C2	6167536	ZBQDMLDTVZAFEQ-OPEQJANBSA-N	593.702	5.237	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1COc1c(Br)cc(Br)cc1Br	8399418	GFWDPDOACDJLEF-HHHXNRCGSA-N	759.249	7.775	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccc(F)cc1	10118650	SMQPJZGWOFIHHP-VULFUBBASA-N	518.326	5.172	50	40	KKGB	
COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)cc1	16185142	OJMNNDDWHPAOCJ-GZTJUZNOSA-N	500.860	6.132	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccco1	20136757	ZFJWFVBONXUEME-HSZRJFAPSA-N	520.010	5.701	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4Cl)S(C)(=O)=O)cc3)cc2)cc1	59887219	TVNOZSLNGIWWLL-HNSNBQBZSA-N	605.116	5.396	50	40	KKGB	
N#C/C(=C\c1c(-c2ccccc2)nc2ccccn12)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2	97946801	GJLZGBNGVPBMJT-NELHNXLGSA-N	551.672	5.396	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12	97962940	UOPXKJKCNAPMAR-LPNVLFKPSA-N	534.656	7.009	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cccnc1	97964082	UCLSNDUFVMMMOM-KIBLKLHPSA-N	617.612	5.287	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999666	UQLPNXUSTVQXBT-WJOKGBTCSA-N	660.590	6.834	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(n1cccc1)=C(C#N)[C@@]21C(=O)N(Cc2ccccc2F)c2ccccc21	98008175	HTGFPMUGNKLEKX-PSXMRANNSA-N	568.652	6.968	50	40	KKGB	
Cc1ccc(NC(=O)c2nc(-c3ccccc3)sc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	98048991	NHHIQVCVGKLKLB-UHFFFAOYSA-O	555.663	6.990	50	40	KKGB	
CCCCc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	98050527	DPGNUERMBGTKOH-LJAQVGFWSA-N	541.673	6.582	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(C#N)cc1	100063433	RXYUMJYKJQFKCO-WKULSOCRSA-N	526.818	5.645	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)cc2)S(C)(=O)=O)cc1C	100119781	FSWDIKQPPNDCML-ATZGPIRCSA-N	597.568	6.748	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	100332160	SIKXGNWCWBCSDD-FDAWAROLSA-N	625.545	5.219	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OCc1ccccc1C	102934487	UKNJYWBQMRADBU-VXLYETTFSA-N	615.278	6.952	50	40	KKGB	
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2	103712725	QCDAPCLAWUINIF-DKOPVHNASA-N	527.513	6.250	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](I)[C@@H](OC(=O)C(F)(F)F)C[C@]4(C)[C@H]3CC[C@@]21C	123225075	UOMMDIWLOYTRIE-AUGORHHFSA-N	610.583	8.995	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)C(Cc3ccccc3)C(=O)N/N=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1	150352175	SZCKVEQBTVOTNS-YXTVXKGXSA-N	738.844	5.298	50	40	KKGB	
CO[C@@H]1O[C@@H](CBr)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1	150412650	ZJEJBLWGAZBXNH-DZSUPGCRSA-N	984.043	13.885	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	150438623	FOQPIUGOKPIWJP-NNHPPCHPSA-N	625.990	7.759	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795433	FICUHSAPIWLMGE-HZPDHXFCSA-N	914.276	12.991	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C/c1ccccc1O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	253537662	BXTRCTCQZGWSNF-BUCDWHFISA-N	510.719	5.249	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccccc1	408540690	VDYJGBBNKHHYMH-KMUKQRDJSA-N	548.561	7.026	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(C(=O)O)cc1	408551706	FMMHHGKAAFRHRA-FYJGNVAPSA-N	527.602	5.720	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408566935	BQTAXLMKXIVDFV-UUASQNMZSA-N	547.211	7.423	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Br)cc1	408580277	NUDHWPXSXYIESE-RQZCQDPDSA-N	629.119	8.402	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCc1cccc2ccccc12	408583245	SVBSWNOHNLGNII-ZVHZXABRSA-N	591.445	7.503	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1	408598511	BWEBUNOOQIBKPH-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccccc2)cc1	408642828	FHQSLTTUXGBSRP-JCKQNYJESA-N	749.239	6.231	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408650212	ZXALQDIBJDTJHM-MVVOQFOESA-N	697.610	6.292	50	40	KKGB	
O=C1[C@H]2[C@H](C(=O)N1CC(=O)N(c1ccccc1)c1ccc3ccccc3c1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408672550	NSMBIJIWEOCWFB-NGEJOHNYSA-N	582.292	5.282	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408712032	WRXNNDWDVMCMGH-KVSWJAHQSA-N	695.122	6.944	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408746466	SUCDLPSOCJIHSC-ZDLGFXPLSA-N	633.236	5.885	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1C#N	408747978	WMVHYSABEYSWJN-GRSHGNNSSA-N	567.237	6.217	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(I)cc3)cc2)cc1	408752314	DFWIHVKNRLTBTF-RGEXLXHISA-N	537.357	5.163	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1ccc(Br)cc1	408757947	DXMBSHVZGBWKFV-HMAPJEAMSA-N	596.319	7.463	50	40	KKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC	408762504	BSGNYMZVZYLIKT-DHDCSXOGSA-N	506.194	5.721	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1	408766952	XPCSMNAYYORYND-KKMKTNMSSA-N	545.473	5.863	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1	408816374	JMRLWERWKUTHLN-MWLSYYOVSA-N	519.689	6.794	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408820335	VQCNHAGGTIEQEX-ATZGPIRCSA-N	553.873	7.517	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1C#N	408829582	XGHXLPPHRVYLNQ-CPDSRJINSA-N	597.263	6.571	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408839894	WYKDHBRFJYEEFG-KKMKTNMSSA-N	502.810	6.878	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	408846272	JDOSARPLUCIMKW-IDWIKUEFSA-N	526.615	7.359	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC(=O)O	408848507	VPZQTPNCFDUHTP-LJUMEUDFSA-N	623.447	5.683	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(C(=O)O)cc1	408853431	SGWCXJOMLIVYIQ-MUXKCCDJSA-N	584.366	5.477	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(C)c(Cl)c2)cc1	408855771	DKMHFZVMJFPMRE-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(C)(=O)=O)cc1	408858130	JVCSPCNIQSXJER-HRXXRIAWSA-N	624.941	5.004	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	408859255	NOSCTSJRVPFCOK-KNBZMSCYSA-N	595.858	5.989	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	408859853	UFFAVSUBEUPNPC-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408863914	RSIGZRQBYAZSKK-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nnc(COc4ccc(Cl)cc4Cl)o3)c2C)cc1	408874018	YQVCFKJACYNHQW-VVEOGCPPSA-N	602.500	5.782	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1	408885393	ZENLUZMSWIBNPL-WOJGMQOQSA-N	503.293	6.743	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(I)c1	408885853	FZCJKAPGIJQFON-MDWZMJQESA-N	519.682	5.658	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(OC)c1OC	408887346	PVRJLBCVUREWNS-NTUHNPAUSA-N	510.182	5.092	50	40	KKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)o2)c([N+](=O)[O-])c1	408892258	AFXHEMZFFFOMMD-UKTHLTGXSA-N	515.263	5.014	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408904071	DFUNIKSLQVRFQR-LGUSAWBASA-N	597.636	7.407	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccccc1Cl	408942519	GBXIVNGOMRLQPO-HKBQPEDESA-N	633.170	5.533	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1	408951540	URPJGPRSURLNOF-MHZLTWQESA-N	750.897	6.329	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)c(OC)c1	408956545	RCOPFZYUVKYKOH-LBEBILTRSA-N	665.143	5.355	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(I)cc1	408961224	BOANXLXUPWRXNI-IPPBACCNSA-N	568.333	6.052	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408970896	AEUNWSYZIGCQMT-SDJOKUDPSA-N	704.276	8.090	50	40	KKGB	
Cc1ccc(OCCOCCOc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1	408972106	RYYLURJCHFVTGK-JJIBRWJFSA-N	535.438	5.455	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl	408981675	CIYFVENSBWECJE-IUXPMGMMSA-N	506.216	7.733	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1	408984072	PPHPAIGSJKWHAC-NVMNQCDNSA-N	572.786	6.106	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1	408991359	NMSGIRRWXHVGQJ-LDADJPATSA-N	607.629	5.973	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cccc(Cl)c3)cc2I)cc1	408997625	SCVARBCJIYXJBP-KBKYJPHKSA-N	660.633	5.590	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	409013502	KOGQEZPBILHPOG-JQJJRORESA-N	585.315	7.009	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCc1cccc(F)c1	409018367	URCGAGBEXNAWJP-OHUYPAJKSA-N	513.569	5.609	50	40	KKGB	
CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	409048123	QGBHATSQIIAZEM-NTUHNPAUSA-N	509.154	5.454	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)c1	409067233	PSVHCFHVHQFWQU-MHWRWJLKSA-N	610.711	6.487	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409075345	QZQTWWGLVMXWIG-HMMYKYKNSA-N	508.983	5.390	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1cccc(Cl)c1	409126446	GBEPLTPVJMYBSO-AREMUKBSSA-N	661.968	6.305	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409136334	TZFKELGCLUWFCN-BIZUNTBRSA-N	623.087	5.572	50	40	KKGB	
N#C/C(=C\c1cn(CCCOc2ccccc2Cl)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2	409197847	QAYQVJGPNAMUDM-RCCKNPSSSA-N	513.981	5.716	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	409214499	XYXWEINXRYVAIS-LUOAPIJWSA-N	612.727	6.385	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	409217014	NFOMQZWMGVVVRR-RPPGKUMJSA-N	524.267	6.577	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1ccccc1	409258469	VBUXAFAWQVIYDR-ZXSNDDASSA-N	567.642	5.844	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)c1C	409258729	ZRBBVVBZWLDJMX-PPDIBHTLSA-N	515.353	5.300	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OC	409325103	XDQJMINRTQIHHV-MNDYBZJGSA-N	544.435	5.881	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OCC	409325828	BRBSHRUHHBWPTQ-NTFVMDSBSA-N	511.962	5.779	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)ccc1OCc1ccccc1	409336419	SILBAYOVACMOIF-HQDYHJHZSA-N	668.382	7.541	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(I)c1OCc1ccccc1Cl	409368105	RMPJLBSRJFFKAB-UVHMKAGCSA-N	577.806	5.255	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409371362	HWMHREZMGIVZCC-IDUWFGFVSA-N	559.170	6.671	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	409373780	VJSSUODJGMWOAO-ZRGSRPPYSA-N	537.197	5.936	50	40	KKGB	
COc1c(I)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1I	409374501	RIFBUSFSZRSJSY-SDQBBNPISA-N	541.130	5.153	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Br)Nc1ccccc1F	409383481	YNMSVTIUAUCNIA-DLCNMLRHSA-N	644.526	7.237	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c(OC)c1	409384041	XKCDZMQSNWSVJS-LGJNPRDNSA-N	548.231	5.572	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc(Br)cc1	409384884	FKZVMDMZQXJBJS-KKMKTNMSSA-N	619.291	6.686	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409396000	VATDQBUGUQGDOG-UHFFFAOYSA-N	777.638	8.601	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409398098	QLOKKHSFESUYFB-UHFFFAOYSA-N	541.966	6.619	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)o2)cc1	409400654	DXCNYUUBIAPCPF-DBSPGSINSA-N	614.658	7.670	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc5ccccc45)c(Cl)c3)o2)cc1	409400748	FHQAYHUEWIMIAF-GLJXUZQSSA-N	604.106	8.416	50	40	KKGB	
CCCC[C@H](CC)Cn1c2cc(B(O)O)ccc2c2c1c1c(c3ccc(B(O)O)cc3n1C[C@H](CC)CCCC)n2C[C@@H](CC)CCCC	2362804409	XRXLRKUWYMDDAG-JBOQNHBVSA-N	669.569	7.713	50	40	KKGB	
CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	1827401	DKUBVDXHBZUYPC-RWPZCVJISA-N	525.465	5.550	50	40	KKGB	
CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc(Br)ccc1OC	3175192	IDKHJMNWSHQNMZ-PYGAFPFSSA-N	520.221	5.681	50	40	KKGB	
N#CC(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)/C(O)=N/c1cc(C(F)(F)F)ccc1Cl	3322904	HOKOLDYOMMXYSP-LDADJPATSA-N	560.919	7.513	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)=C(C#N)[C@H]1c1cccs1	3336180	NDGVFSURIWCGKL-DEOSSOPVSA-N	562.639	5.260	50	40	KKGB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6136374	JNMUAUICUSPDBY-LECNVPDFSA-N	562.047	7.703	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@@H](c3cccc(Cl)c3Cl)Nc3c(Cl)cccc3[C@@H]2[C@@H]1Cl	8426244	PETWMMKMJJBZEY-CITOHASHSA-N	540.299	8.594	50	40	KKGB	
CC(C)(C)OC(=O)NCCCCCC(=O)N/N=c1/oc2cc3c(cc2c2c1CCCC2)CCC(C)(C)O3	32051717	ICADIVSYKDFJQA-HMZBKAONSA-N	511.663	5.432	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl	59297150	LZOCLMJGUGKWTI-HYARGMPZSA-N	517.412	7.670	50	40	KKGB	
N#CC1=C(N)n2c(=O)s/c(=C\c3ccc(-c4ccccc4)cc3)c2=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1	97958607	QZTVGNJOTZNUQS-OYBLHVSXSA-N	534.644	5.195	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1	97960720	OEVJFAWUTBXPBT-IWIPYMOSSA-N	541.445	7.298	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)cc(C)c2)=C(C#N)[C@H]1c1ccccc1	98048789	LSDXALYLEDPLGO-GDLZYMKVSA-N	538.673	6.019	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F	100123724	IMTOILVWDMFLEA-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	100935382	RFVQZGPUMFYQHO-SILNSSARSA-N	525.472	6.048	50	40	KKGB	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	102537369	ARVQVDZJCBAPMF-CZNKQDSASA-N	581.345	5.587	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)c(OC)c3)C3=C(O)CC(C)(C)CC3=N2)cc1	102607406	BMICEFYXVCGOAS-MHZLTWQESA-N	547.677	6.380	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)N1	102653471	LFMKLPDPUAVTDM-SANMLTNESA-N	543.605	5.511	50	40	KKGB	
CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528072	DUVMOWIYGIOIKQ-QMMMGPOBSA-N	608.167	8.525	50	40	KKGB	
CCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C(=O)OCC	106007722	KNWPSWIOUAOEBU-NOCHOARKSA-N	649.700	7.766	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)c(C(=O)OCC)c1C	109353820	XPWFMZVVBNVFMN-OEAKJJBVSA-N	561.656	6.025	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342077	UXTBTNPWSKVSDW-REOHCLBHSA-N	792.030	9.658	50	40	KKGB	
O=[P@](OCc1ccccc1)(N(CCCl)CCCl)N1CCN([P@@](=O)(OCc2ccccc2)N(CCCl)CCCl)CC1	150366938	RYXBFYDAKXJMSU-ZAQUEYBZSA-N	674.374	6.813	50	40	KKGB	
O=C(Nc1cccc2c(OC(=O)C(Cl)Cl)c(/N=N\c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc(/N=N\c3ccc(S(=O)(=O)Nc4nccs4)cc3)c12)C(Cl)Cl	150391138	LVWFQLIOPWPNRR-CNODSYGASA-N	913.656	9.637	50	40	KKGB	
O=C(CCS)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1	196149386	ZASLXALGERLDLT-HXUWFJFHSA-N	638.149	7.002	50	40	KKGB	investigational
O=P(O[C@H](CCl)CBr)(O[C@H](CCl)CBr)O[C@H](CCl)CBr	254819736	PJNLXXROLSYGPE-CIUDSAMLSA-N	564.260	5.151	50	40	KKGB	
CCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	408532595	OGJGBJSQYYTANA-RHANQZHGSA-N	505.043	7.150	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)cc2Cl)ccc1OCc1ccccc1	408539200	FPTREFKLUXVCMP-HTVDVWKISA-N	603.424	7.943	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)ccc1OCc1ccccc1	408539688	YBAQNYHRQHGHIJ-CFRMEGHHSA-N	618.473	8.004	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550627	FWBRTIBQRXYCPS-CXUHLZMHSA-N	634.257	7.220	50	40	KKGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408551512	LKEBSSJCWIFVCE-LGUSAWBASA-N	590.088	6.844	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccccc1C#N	408552124	HLDMBTMJHCTLIA-KEBDBYFISA-N	573.472	6.266	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccccc1	408566492	AFINPQXLGSZDCZ-RWPZCVJISA-N	620.534	5.887	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1cccc(C(=O)O)c1	408569303	NABOMWJNKOJDIC-NVMNQCDNSA-N	583.357	6.047	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1	408579238	FCPFVJBOBGQJOJ-GZTJUZNOSA-N	501.797	7.127	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCc1cccc(F)c1	408581210	VBPZHLGFHDLZSY-GIJQJNRQSA-N	517.192	7.002	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1OC	408583896	YKLRKXJPLOYWFI-WOJGMQOQSA-N	577.396	5.149	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(CC)cccc2CC)ccc1OCc1c(Cl)cccc1Cl	408606997	BJDOQZZFWZCBDG-WCMJOSRZSA-N	542.463	6.185	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408641407	KKOOLMJTZPJQBI-NFYRHNLVSA-N	722.038	7.163	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	408652552	PBQXTWBSTCYUKA-BFNJWEDLSA-N	643.954	7.123	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)O[C@H](CCCl)C(=O)c1ccc(Cl)cc1	408657612	NGAIVPYPYICHAW-ODNKEKGQSA-N	673.420	7.217	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c3ccccc3Cl)cc2)c1	408666186	GOXUCVUCJDYSLZ-UHFFFAOYSA-N	552.027	5.287	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1	408740968	FVQVRCHIYQZHFB-MMFILIDRSA-N	670.607	9.315	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(I)c2)cc1	408742898	CNYYWIGLSFJWDC-UYRXBGFRSA-N	542.348	5.954	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1	408753492	AFMFCXLZMOWHDH-KBVAKVRCSA-N	554.400	5.287	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408773439	QNPDWOHYTXXAMP-STBIYBPSSA-N	522.026	5.156	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCc1ccc(Br)cc1	408775932	WZADKGHFOARLES-ULPWCQAASA-N	633.202	6.424	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c1	408783095	NBXYSKYMNOQTLF-DHDCSXOGSA-N	517.847	6.614	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408793506	PGFMZEUFJLMTCD-YBFXNURJSA-N	569.355	5.723	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408795759	MZVVQKLCUAYLDZ-KEBDBYFISA-N	621.302	7.738	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(Cl)c1	408805824	HVLYABLYAGOYBT-QGMBQPNBSA-N	546.248	7.198	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c1	408806459	AVEUHDRVTUXEQA-YBFXNURJSA-N	526.228	6.645	50	40	KKGB	
CCOc1c(I)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408810008	ITZIERGMGYCFSJ-AFPJDJCSSA-N	639.025	5.567	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408821534	IPCFGEHMMKQPDC-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)c(OC)cc1Cl	408835344	YNJYDEDWGLVTFJ-CAOOACKPSA-N	531.367	6.283	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842964	KVJDXQFTNJPKFQ-AABVJFSESA-N	790.852	8.759	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408846098	QPXGGAAQFUHSJF-UVHMKAGCSA-N	526.843	6.642	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408847339	UEDITKGLERQPSD-QJOMJCCJSA-N	576.074	6.187	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408850420	NLOGQYMECWHUTQ-FYJGNVAPSA-N	545.408	7.183	50	40	KKGB	
O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1cccn1-c1ccc(Cl)cc1	408852036	QFPQRZQTPANZEV-PPDIBHTLSA-N	562.649	5.733	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc2c(c1)OCO2	408855115	DNNUOTSQUCPJLP-PPDIBHTLSA-N	523.339	5.276	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1C#N	408856036	GZPSHENMBFLYLH-BVMLUPFRSA-N	593.275	6.901	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1	408856232	JJPBDJIQUAEVFA-IPHFVPNQSA-N	641.509	7.409	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408860059	XPRABTSKUFEHGD-MYYYXRDXSA-N	574.508	7.447	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)c(OC)c1	408865274	COMBEVZSWRWLNR-UFFVCSGVSA-N	694.307	6.024	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408869961	UPKLASNKPQWLQJ-ATZGPIRCSA-N	677.404	6.689	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Br)cc1	408900892	YSELISTXBBJCMD-DEDYPNTBSA-N	539.813	6.404	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1OCc1ccccc1F	408922135	DJVNIMJQYHDVMZ-WOJGMQOQSA-N	621.244	6.716	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OS(=O)(=O)c1ccc(OC)cc1	408926839	YTVYGNBWRSAFDT-QGOAFFKASA-N	546.523	5.426	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(OCC)c1	408945059	KAWINCRQQLNREX-LJAQVGFWSA-N	699.599	5.451	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1cccc(Cl)c1	408953836	YIMISKSZNKCBNU-NDEPHWFRSA-N	702.027	5.575	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408962697	JHGUKQALEGLMPA-KVSWJAHQSA-N	599.303	5.570	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc2ccccc2c1	408962934	LFRIKCUQWOUKFY-VWJSQJICSA-N	604.366	6.815	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	408963922	JWLPDBCXPYZCJI-LKUDQCMESA-N	533.068	7.611	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408965784	LZRIJWGFWJFBJS-IPPBACCNSA-N	550.955	5.483	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccc(Cl)cc1	408968570	XKWDXFLNTROBLO-KVSWJAHQSA-N	516.754	5.465	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(Br)cc1	408978574	JEQRBVIHDVJSEO-KHIJKKSWSA-N	650.595	6.295	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)c1	408992625	SROPVJFRVDOWPD-QJTJCFJFSA-N	623.716	6.889	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1	409012052	HJKQBCUVPGFZBY-HUKYLRDLSA-N	575.449	5.919	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc(Cl)ccc2o1	409016856	ALLVGODAWGNFPY-MNDYBZJGSA-N	580.809	7.187	50	40	KKGB	
COc1cc(Br)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	409020132	ZMDRTROONVINGH-PREZWVLCSA-N	589.314	5.222	50	40	KKGB	
CCCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc23)c2cccc(C)c21	409033172	NHLUUFHRCUHFCC-OHUYPAJKSA-N	509.053	7.609	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1cccc(Cl)c1	409035002	IQFNNCODRBRPMN-XZYGTATASA-N	661.927	7.901	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC	409045449	POVNXMQMNBCOIW-MUFRIFMGSA-N	521.042	6.768	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409090240	LMDSYJFKAVXCJT-OPEKNORGSA-N	559.187	5.933	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409139078	MCDFGNKVZQWHRV-SANMLTNESA-N	649.413	7.116	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(Cl)cc5)(c5ccccc54)[C@H]3C2=O)cc1Cl	409147605	YXELFUNOSAVMTK-PADQZMDZSA-N	594.498	6.197	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)c(OCC)c2)cc1	409161725	YZEMSHCMNAHLGA-KCSSXMTESA-N	581.069	5.332	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409192220	BLGJGTNBGDIGBO-OKCVXOCRSA-N	536.857	6.853	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	409212339	OZEHHLNHRCOZOT-WCMJOSRZSA-N	539.484	7.367	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(I)cc1	409215318	XIPLPCWJHSTKRS-ODLFYWEKSA-N	605.226	7.004	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccc(Cl)cc4)c(OC)c3)c2)c1	409225120	PBZVCTYLVGJXTK-NOZULVOLSA-N	584.028	5.992	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC	409227291	UVNSOBRAXXITLG-DLCNMLRHSA-N	666.912	6.364	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccccc1	409229525	QMQIBYKSZVJNSO-IWEBCOIVSA-N	668.700	6.913	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccccc1F	409234799	YHLCDTPAPUHJIS-HMAPJEAMSA-N	570.402	5.674	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409253710	YCQPBJCNOXQBDG-YBFXNURJSA-N	524.404	6.182	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409257437	ORMNLEOPNIUWFY-WOJGMQOQSA-N	554.828	5.983	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409260832	XGNGEOJUUNNZOY-YBFXNURJSA-N	522.355	5.756	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409270724	HPFPZVSEWYGHFZ-VHFSBPNMSA-N	640.165	7.614	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	409309180	CQYMXBJWJQPJEU-AAPHRLRXSA-N	675.252	7.492	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1	409318310	UTHNYSRYQBWXTI-KYHGBAKBSA-N	544.991	5.969	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	409337288	SHTOWDFWQLWQHL-SXGWCWSVSA-N	520.754	5.209	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(I)cc1	409373024	VFEYYHLAJRRFCR-WQRHYEAKSA-N	595.072	7.459	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409384511	DAZLAOSHBVXVBJ-UVHMKAGCSA-N	554.968	6.113	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1)c1ccccc1Cl	409398874	VZGNWPPYAZPUSG-UHFFFAOYSA-N	562.840	7.778	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409405422	TZUUTMZOGINSGJ-LCYCTPALSA-N	598.483	6.667	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)c3cccc(C(F)(F)F)c3)o2)cc1	409409689	QBSRDRHMMFQAIJ-AEVGBRMKSA-N	646.578	7.176	50	40	KKGB	
O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	885164021	BOBUAKHGUZSNNU-UHFFFAOYSA-N	674.119	6.939	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1	1529548336	CVNVXXWZPNXGOC-AYSITGFNSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)OCC)cc2)c(OC)c1	1529548351	DKMRTMHXRJIVGY-SQTRLNBISA-N	739.645	5.098	50	40	KKGB	
O=C=Nc1ccc(OCCCCCC(=O)OCCOC(=O)CCCCCOc2ccc(N=C=O)cc2)cc1	2061000003	NSHODRWCJJFXRE-UHFFFAOYSA-N	524.570	5.286	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	2334913	XPLYRNXFDKVZMT-UEKTYDJUSA-N	508.430	6.367	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1	2358864	IYWGNQQLTCZOTC-OCSSWDANSA-N	542.068	5.633	50	40	KKGB	
CC(=O)Oc1c(C)c(C)c2c(c1C)[C@@H](I)C[C@](C)(CC[C@@H](C)CC[C@@H](C)CCC(C)C)O2	5663142	BGDSBNWZQBGEIF-JWOZZIKKSA-N	556.569	8.823	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1cccc3ccccc13)N2	6074207	HATBGVIBXSBWJO-LTUSVDMXSA-N	529.061	7.989	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCCOc3ccc(C)cc3)c(OC)c2)cc1OC	9144552	JROTUWAOOOTHLM-FYJGNVAPSA-N	524.411	6.305	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccccc3)C2=O)cc1	12273756	GIPNXPDQLYGUIN-IDJUBOEBSA-N	511.603	5.237	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	13080668	CARZUNZJMDYYGO-RUZDIDTESA-N	500.649	5.763	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)/C(=C/C=C/c3ccccc3)NC(=O)c3ccccc3)o2)cc1Cl	15015376	NQFDAHBUFPMQPN-UUVYIOEYSA-N	509.993	6.386	50	40	KKGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccc(/C=C(\C#N)c4nnc5n4CCCCC5)cc3)cc12	15906603	YXZXMZLZIPGXSU-LTGZKZEYSA-N	520.618	5.997	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1	16712443	LATUEOWJDPUJHL-TWKHWXDSSA-N	519.715	6.570	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1	20197380	JGJHJMXSYURAPM-MUFRIFMGSA-N	501.410	6.524	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccc(C(=O)O)cc1)=N\NC(=O)c1cc(Cl)ccc1O	73330563	GKSLQSVMJAZWKM-ADZZFNIUSA-N	557.998	5.561	50	40	KKGB	
O=C(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F	80541965	IIYQDKPSLAINNX-WITFEUSKSA-N	664.080	7.193	50	40	KKGB	
CCOC(=O)c1c(N)sc(SSc2sc(N)c(C(=O)OCC)c2-c2ccccc2)c1-c1ccccc1	97983343	QBJBJUKBMZZVII-UHFFFAOYSA-N	556.756	7.461	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	98000148	ZNOBJBSRNRSMMB-GDLZYMKVSA-N	572.086	6.929	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C(C#N)[C@@H]2c2ccco2)cc1	102808610	XSKMRZZSGWGDFT-AREMUKBSSA-N	582.604	6.404	50	40	KKGB	
Cc1c(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1	103845887	HYSDCIUEYHERLG-GDNBJRDFSA-N	578.102	6.927	50	40	KKGB	
O=C(CCSCCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(Cl)c(Cl)c1	104373258	MVUSQRSHLJVFDR-UIXGLJBASA-N	520.269	5.414	50	40	KKGB	
CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341452	BLYLSYMYLNBZHE-JTQLQIEISA-N	986.270	13.752	50	40	KKGB	
CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341669	OVHZIIWEWTZAAC-CQSZACIVSA-N	892.357	13.406	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342099	ZQLVBUIVNXEHBG-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
C/C(=N/NC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccc(Br)cc1	150500020	CUWUBFYRXSXJQZ-VDYHLQGASA-N	662.372	6.566	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)NCCc1c[nH]c2ccccc12	164325856	BNNSSRKXPODKAF-BKUYFWCQSA-N	626.292	6.380	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552965	SZARFURHVVGLNA-SXGWCWSVSA-N	530.795	6.219	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1ccc2ccccc2c1	408553816	PRXBDOGRBJPWGX-YDZHTSKRSA-N	645.522	7.390	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCc1cccc2ccccc12	408599574	WQCFOIFIJPDEPL-HYARGMPZSA-N	603.485	7.955	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408599582	WUMMQIRBZOLGMS-CCVNUDIWSA-N	683.284	6.444	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1	408599699	YSDZDOCAERXPNL-LGJNPRDNSA-N	579.778	5.594	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N2C(=N1)SC(C#N)=C2N	408606857	ROHMLDLKPBPMQD-JOCHJYFZSA-N	521.524	5.989	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)ccc1OCc1c(Cl)cccc1Cl	408612638	WISUFTULKDANBC-WKULSOCRSA-N	514.409	5.622	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408644114	QRNYIXKNLGVIKQ-VPBXCIAMSA-N	792.231	5.739	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408659605	WBNNJQSJLFTESK-HPPKPSBPSA-N	702.183	5.264	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408678818	DHTLDBRLUJSRJG-NCOADZHNSA-N	634.108	5.381	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1	408738209	QKQWQIIDVVXVSN-OXMOZHKQSA-N	564.642	5.597	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408747460	OFZSTZQBGIVPEQ-KYHGBAKBSA-N	675.748	6.672	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)NCc1ccccc1	408747578	PUVPOBSVCDQQMS-GRSHGNNSSA-N	563.222	6.400	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(OC)c1	408748339	CBSZTYGPMGGXGM-FJEPWZHXSA-N	645.291	6.567	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc(Cl)cc1Cl	408755514	OCRDMCYALAPCLY-IPPBACCNSA-N	528.233	7.252	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408787231	VHJPBOGEDLXSPJ-YVLHZVERSA-N	526.318	5.630	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)c(C)c1	408790272	VJSNLMWHVLDGJK-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(I)cc3)cc2Br)cc1	408792065	HGNXFHBXLLUESF-FYJGNVAPSA-N	675.317	6.754	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)c(C)c2)cc1	408800740	PBHURPJUTKBLCG-HYARGMPZSA-N	505.412	6.589	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OCc4ccc(F)cc4)ccc4ccccc34)cc2)cc1	408824122	PNNKGOKXTKMCJK-VFCFBJKWSA-N	542.610	7.991	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1	408827829	HDEMEQQIVRZURP-MZJWZYIUSA-N	529.456	5.429	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC	408829445	MUZRNTQWHVSYNZ-KGENOOAVSA-N	569.883	7.415	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1	408840149	XZUHFPJOADQBEZ-JOXMEQDKSA-N	667.618	9.755	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408843517	LWCBDFRVAVGPPZ-KPGMTVGESA-N	593.105	6.620	50	40	KKGB	
O=C(NNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408844973	PVIHZYDHMDPFBB-UHFFFAOYSA-N	573.812	5.553	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1	408847720	UFQXIDSTBDWNQP-YYRUFONZSA-N	543.215	5.333	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408849346	XYAMFDSJYHMHPN-VTNSRFBWSA-N	599.024	6.698	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(F)cc1	408850191	HTEBEUQNSGPXFJ-VCHYOVAHSA-N	563.345	7.130	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408855876	GHALIHMVAMURKQ-JAIQZWGSSA-N	799.188	6.827	50	40	KKGB	
COc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408863194	KWNCSDNQWUDOLD-KVSWJAHQSA-N	568.251	5.881	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1	408867575	LORDHODVHFAJDM-WSDLNYQXSA-N	533.422	5.998	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408869412	DARHQHCJJFFEOB-AAPHRLRXSA-N	611.290	6.235	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1)S(=O)(=O)c1ccccc1	408871274	WRDRABHQWNSIFK-DPNNOFEESA-N	672.985	6.044	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1	408872378	MDQXXYKTNVKYNW-MTDXEUNCSA-N	514.047	5.173	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1	408877565	WYWDDVSFXQARLQ-VYYCAZPPSA-N	546.259	6.262	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c([N+](=O)[O-])c1	408878587	CCFMFYHBIGZLBI-WOJGMQOQSA-N	526.774	6.444	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408880009	IEQZRRHAPQANKR-RQRWGXNHSA-N	704.565	7.018	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cc(Cl)cc(Cl)c2)cc1	408880145	GBQBYNGFOBJPNP-WKULSOCRSA-N	587.441	5.816	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1ccc(C)cc1	408882639	PSTUMCKLBNPQIR-RGVLZGJSSA-N	583.382	5.950	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c2ccc(Cl)cc2)cc1	408925321	PBDSTBIHMXXLKW-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408951611	MAUNYRYZDAGZAE-MTJSOVHGSA-N	613.339	7.481	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Cl)c1O	408971881	LKVIBRURBSSOMY-SEVZJSAHSA-N	578.880	5.396	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1	408980653	RYEWPQBBZRSWPD-GIQGSQORSA-N	552.587	5.194	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cccc(F)c1	408982596	IDIKPEBZJNMXOD-NVMNQCDNSA-N	529.793	6.683	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1	408993047	BPWKOPZSPQAIME-DHRITJCHSA-N	520.754	5.053	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)COc3cc(Cl)cc(Cl)c3Cl)c3ccccc32)c1	408994631	GVEYGFKFZRVVMD-XKJRVUDJSA-N	500.813	6.487	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409001777	KIBRNVFFTYKTFA-VNODALHLSA-N	576.484	6.285	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-]	409032699	MPRNRWZWHZVPAO-JFLMPSFJSA-N	519.355	5.735	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccccc1	409050782	ZQECFPJPZXWORG-XDHOZWIPSA-N	567.383	5.171	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(Br)cc1	409095158	GZOJLGCENIWLMV-VWLOTQADSA-N	521.367	5.374	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1cccc2ccccc12	409128359	OMIRLYVYGRVEPH-RUZDIDTESA-N	531.406	6.005	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc2)cc1OC	409132077	KYCCHXWCMNLNKX-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409133891	UUTRVIUKEOJHGC-QFIPXVFZSA-N	564.263	6.548	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409136915	VNLBVEAKILGNCV-ALQBTCKLSA-N	654.141	5.299	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(I)c1OCc1ccc(Br)cc1	409143901	WRXBBOSTGZFTNJ-MZJWZYIUSA-N	609.258	5.804	50	40	KKGB	
CN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C2=C1CCCC2=O	409147085	MIYNEWHMQARELG-NRFANRHFSA-N	612.149	6.827	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1cccc(Cl)c1C	409169395	QDYQQWQDQRATDF-XKJRVUDJSA-N	563.825	5.070	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(Cl)cc1	409190442	NKHQAWNEUDNLQU-KBKYJPHKSA-N	601.520	6.970	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2s1	409193009	GYQYJKTZKQNEPY-MXAYSNPKSA-N	545.562	5.418	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1OCC	409224683	NCMHBLWYBBVXFW-GXBUFBABSA-N	610.623	5.936	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(Br)c2)ccc1OCc1ccccc1	409257126	QUWLUTKMYSFACF-QMRORBIVSA-N	715.826	7.624	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1	409259524	ADIFYGBTKIVIME-IFBDVWKUSA-N	526.420	5.474	50	40	KKGB	
NC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	409262205	FZVXKRYTLURWSF-KNBZMSCYSA-N	574.877	6.142	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1C	409264012	JCPUSPBBZSERFA-BKUYFWCQSA-N	503.986	5.919	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OC	409335806	YLUYDTPNOUMFJT-LQNQUEJISA-N	511.018	6.187	50	40	KKGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(Sc3nc(-c4ccccc4)cc(C(F)(F)F)n3)c([N+](=O)[O-])c2)c1	409368651	GKXFMDVPVXAVES-BVMLUPFRSA-N	580.548	5.944	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	409369960	IFFQZWBOESCECX-AEUUOICLSA-N	626.138	7.306	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1cccc([N+](=O)[O-])c1	409371698	KKXLEUCGQNSHHJ-ZDLGFXPLSA-N	516.722	6.496	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)[nH]c2c1	409374787	ZHGZVYUVMCASLG-APSNUPSMSA-N	592.118	8.346	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409385435	KDKNHBSTHNCSQI-XKJRVUDJSA-N	578.861	7.511	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)ccc1OCc1ccc(C(=O)O)o1	409386741	XFLKYTQDEZQLGE-NSKAYECMSA-N	592.196	5.601	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1cccc(F)c1	409393907	SZFFKWQVWCZONV-IUXPMGMMSA-N	505.156	7.133	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)c1	409394631	DAGMWKMGFMNVFH-UHFFFAOYSA-N	674.393	7.717	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)cc1OCC	409395084	JRMHDCNZGVVHTJ-UHFFFAOYSA-N	782.917	8.860	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396616	ZDCGKVVZFMTUGS-UHFFFAOYSA-N	644.055	6.943	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409399302	ZEXGSBGWGOIFBU-UHFFFAOYSA-N	598.055	6.806	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OC(C)(C)C	409400060	BEGWKBMFJXMGBJ-OHUYPAJKSA-N	608.533	7.369	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCC(=O)Nc1ccccc1F	409406892	XXFOVLXODOTLOO-AEVGBRMKSA-N	736.538	6.800	50	40	KKGB	
COC(=O)[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409407316	ZJOKPZQNUHBMFT-KUVSIYKGSA-N	641.462	5.575	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409409093	MYOPHGYIVGZAEP-CLHYIUPASA-N	653.688	6.284	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	1529547572	MKEIDEHJCVQJEQ-GQZAJMAYSA-N	687.616	6.066	50	40	KKGB	
Cc1cccc(NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)c1	3144831	NNMUIGSJCNQOMW-UVHMKAGCSA-N	545.231	5.301	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1[N+](=O)[O-])N2	4048152	INDBPULSIXDSCZ-QIEDNPPQSA-N	523.998	6.744	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1cccc(Br)c1)N2	6445796	AZOXWSMOEZJDSJ-LVTPPWGZSA-N	559.869	7.094	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCCOc1ccccc1Cl	13940051	WJFQLFXKCHQHRH-LDADJPATSA-N	501.797	6.959	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)c1ccccc1	15930185	RKJGXXSYTVFFSB-NJZRLIGZSA-N	506.635	5.665	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3c(C)cccc3C)c2C)cc1	20243640	LYHOMKBBWCPSLL-UVHMKAGCSA-N	514.489	5.866	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(C)cc1	28218026	YDZSYXYDULTXLJ-MUFRIFMGSA-N	509.444	6.407	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	58900743	AHVMDELTKCXVTF-ZMOGYAJESA-N	501.178	5.228	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	59856324	BTSUFHZCHSTOBR-UXHLAJHPSA-N	563.035	5.716	50	40	KKGB	
BrP(CCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1	95682057	WFBRUEKTFHHPBB-UHFFFAOYSA-N	726.473	9.056	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC[C@@H]1CCCO1	97946309	BZABBPOVUIHSDM-SVTLXGSVSA-N	539.035	5.974	50	40	KKGB	
CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3cccc(NC(=O)c4cccc(F)c4)c3)c3cccc(Cl)c3n2)cc1	97965755	ZYBLOXVXVDIOLU-KWQVAVEISA-N	565.048	7.663	50	40	KKGB	
CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12	97965820	COYUTZVUOPEAEA-CPNJWEJPSA-N	537.563	6.881	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccccc2Cl)cc1	98048453	KYNBIPQUTBTKRX-QHCPKHFHSA-N	566.908	6.901	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)N1	98048716	WPKSQEBQLWQINS-MUUNZHRXSA-N	589.073	6.368	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(O)c(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	98048735	DLNQOYIXTQYEGU-MUUNZHRXSA-N	556.644	5.116	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1Cl	98050522	LHGNLGOVFVHMKS-MUUNZHRXSA-N	544.076	6.608	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1	100028122	DGGPTSKHZTUJDH-AUEPDCJTSA-N	605.081	5.012	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(Br)cc1	100120143	YTRLTXTYZGGNJS-FADJLKOXSA-N	583.574	7.075	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)c1	100125001	CKLBWCQYDKKJNE-DPNNOFEESA-N	568.621	5.767	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)cc1	100126526	ORIJOSNQVIRZSH-DPNNOFEESA-N	568.621	5.767	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccccc1Cl	100311694	TVIRRQVYXHEMGN-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
COc1ccccc1NC(=O)[C@]12CC[C@](C(Br)Br)([C@H]1Br)C2(C)C	100848619	NZJGUASGNASYCH-JLZZUVOBSA-N	510.064	5.320	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccc(Cl)cc3Cl)nc12	100905356	RAXIREXTBJLPPU-LDADJPATSA-N	546.819	6.094	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cc(OC)ccc2OC)=C(C#N)[C@H]1c1ccccc1Cl	101305186	FVPOFWURVGFVIW-HHHXNRCGSA-N	590.101	6.125	50	40	KKGB	
CC(/C=N\NC(=O)CSc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1)=C/c1ccc(C(C)C)cc1	102436673	PNTLLWRUWWMFSB-JVHCUTIOSA-N	573.166	7.262	50	40	KKGB	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	102634115	ARVQVDZJCBAPMF-RJYFNXLNSA-N	581.345	5.587	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cccc(F)c2)N1	102808648	WSLKSMDJBDOCJD-AREMUKBSSA-N	533.028	6.186	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	103902893	NZUFGDDDAPANDI-QNKGDIEWSA-N	619.765	5.740	50	40	KKGB	
CCN(c1ccccc1)P(I)(c1ccccc1)(c1ccccc1)c1ccccc1	104111352	PHRGGKPQRCHVOQ-UHFFFAOYSA-N	509.371	6.308	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc(Br)c1OCc1ccc(C)cc1	108168809	AVPMXNCBJMQRAJ-WKULSOCRSA-N	519.395	5.968	50	40	KKGB	
CC[C@H](C(C)C)[C@@H](Br)[C@H](Br)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	118933442	WPYNWAGYMPPHHC-RRCBGYHCSA-N	614.547	9.342	50	40	KKGB	
Cn1c(P(=O)(c2ccccc2)c2ccccc2)ccc1P(=O)(c1ccc(P(=O)(c2ccccc2)c2ccccc2)n1C)c1ccc(P(=O)(c2ccccc2)c2ccccc2)n1C	195529446	LIOBEFMOTHAVRQ-UHFFFAOYSA-N	887.834	6.260	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1	408527906	GRLQZCGBJSTRPI-XAZZYMPDSA-N	550.375	6.008	50	40	KKGB	
CCOc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccccc1	408539721	YFZTVMOMYUAVIV-FZSDHLTPSA-N	654.792	8.874	50	40	KKGB	
CCCCCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408539850	ZMNJNRRBAQTUSL-KCSSXMTESA-N	611.993	8.693	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408543064	NIBWNQTYGCOOFN-DJKKODMXSA-N	571.302	8.291	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(C#N)c1C	408546336	HDXMVBAHQFHVNU-CNHKJKLMSA-N	648.362	7.481	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1ccc2ccccc2c1	408549274	RVBMZDLMTCHMIH-JJFYIABZSA-N	537.226	8.147	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1ccccc1F	408551177	LYXKAANXAWDDMS-CFRMEGHHSA-N	549.383	7.625	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1Br)Nc1ccc(Cl)c(Cl)c1	408552977	TWNWERUXYMCOLB-AAPHRLRXSA-N	650.154	7.453	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccc(F)cc1	408569717	PQPHBLOHRSVLIO-MFOYZWKCSA-N	510.338	6.645	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1cccc2ccccc12	408588742	JLVVVNQITDDYBD-WKULSOCRSA-N	523.814	6.607	50	40	KKGB	
COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	408637654	MLKMVKQVVXNAKB-UQBPGWFLSA-N	542.415	5.917	50	40	KKGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408719219	NLVBUYXJJNNZMI-LGJNPRDNSA-N	503.849	6.065	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408727514	SLBHBPSXFKZWDD-MUFRIFMGSA-N	519.395	5.962	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1Oc1ccccc1	408729674	BWSZUNMSLKGIJD-XOKHWMEBSA-N	577.684	8.766	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)c1	408745564	NYSSTYSAXAKTGX-ZDLGFXPLSA-N	621.244	6.716	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)ccc1I	408746911	HQEPMLXWYZMQIQ-XODNFHPESA-N	620.241	5.285	50	40	KKGB	
CC1=CC(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1	408750489	NUKYKAMGFYVSBK-RVOGDEBGSA-N	528.652	6.664	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408767258	YRSLPLMUGOZCHC-VULFUBBASA-N	598.846	5.183	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc2I)cc1	408778229	RHCUIZWAAKMLNF-IUXPMGMMSA-N	586.211	5.215	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1	408783782	RCODWDJCGBJFSH-OVVQPSECSA-N	548.890	5.455	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408787565	BVZXTQRJWOETNQ-LFVJCYFKSA-N	631.426	6.903	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1	408791090	TVJLZELHBIYIMQ-RGVLZGJSSA-N	508.933	5.789	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl	408794989	UIBJGPVDAYRSNU-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	408804120	WCBXIDAYMAHVPV-CPNJWEJPSA-N	500.942	6.114	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408808335	FAIWAFYFIPGQMN-UUYOSTAYSA-N	612.420	5.199	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c1Cl	408811300	BBFIDXXUMKXNEO-JQAMDZJQSA-N	620.081	6.501	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl	408823940	FYOWIISWDMNHNU-OVVQPSECSA-N	637.961	9.268	50	40	KKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC	408827590	LJYGTNNGIJIFKD-KGENOOAVSA-N	521.400	6.529	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408839857	AYVHCPPAYYXUBC-NUJZUDFISA-N	613.262	6.937	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1O	408840308	ALFZJCVVYUJMSH-CCVNUDIWSA-N	507.015	6.384	50	40	KKGB	
O=C(N/N=C/c1cccc(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408849603	ZMCROTUBQUVJIV-LGJNPRDNSA-N	511.832	6.734	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(C)n(Cc3ccccc3F)c3ccccc23)cc1	408856156	JHDYVKZBXIOMKC-GKVNEZTPSA-N	540.642	7.667	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1)c1ccccc1	408866102	FQSANWPLQFJCNA-CBAINRCDSA-N	589.740	5.025	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Br)cc1	408869684	QILJCTRPKQKZAQ-KGENOOAVSA-N	524.256	6.910	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccc(Cl)cc1Cl	408879517	DXOQHHBHGUBRIS-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408881334	IVDHRDZOIDWZIA-UXHLAJHPSA-N	556.084	5.266	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1	408888324	ZCHSZNPMOFHVLZ-VCHYOVAHSA-N	556.800	6.452	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCc1ccc(Br)cc1	408897390	RYBMTXNJLFARJT-XDHOZWIPSA-N	522.355	5.799	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccc(Br)cc1	408922961	HZLFVJBGJWHFQA-RPPGKUMJSA-N	597.101	6.326	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408961844	OMPQSPMUWKJWMH-LUOAPIJWSA-N	701.642	6.547	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408971078	LRPLOKXIUUMBOX-CDIYLMMPSA-N	593.305	5.410	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408979975	PAGXCLRMQSBIDA-RLBQRJEFSA-N	643.766	6.714	50	40	KKGB	
O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	409006888	RTJNDWNGSIHGSJ-IPBVOBEMSA-N	579.720	6.295	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409032897	KGZAXJDDQOJNFU-QNVXDBMFSA-N	639.764	8.967	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409049473	XASVWEDFXYYFRB-RQZCQDPDSA-N	593.069	7.525	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)cc1	409049565	WOFXVEQKCZRRAY-MHWRWJLKSA-N	521.809	6.269	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCc1cccc2ccccc12	409065142	HTLXOYJNLJDMBF-NLRVBDNBSA-N	523.032	7.745	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409071122	DRJGOKDSDKOSOO-HYARGMPZSA-N	528.521	5.755	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409085949	PHGPIMSDAPLFEZ-LICLKQGHSA-N	590.352	7.421	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	409088816	YJYDOEVNDHGKMU-CXUHLZMHSA-N	644.334	5.241	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(I)cc3)cc2)C2=C1CC(C)(C)CC2=O	409122982	CYHQHLSTCUEZHD-VWLOTQADSA-N	583.470	5.253	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl	409141146	IWVZTBGMXCUOQV-HHHXNRCGSA-N	536.072	5.700	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1	409171984	AENBLIGDANXLDX-HIWRWHBISA-N	620.331	5.663	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	409183420	CHXNVHSSQPTAAI-KCSSXMTESA-N	623.087	5.490	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C#N	409191867	PEOFZGJRUICRDL-CCVNUDIWSA-N	512.791	5.716	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1cccc2ccccc12	409238001	KRPDJSOURIXVLZ-FJEPWZHXSA-N	579.520	6.229	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Br)c(C)c1	409258019	VRVNRNIPDABGRZ-RODHXAHZSA-N	733.486	8.477	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1	409266109	OSVJWTWFYFRGDA-BOPFTXTBSA-N	585.252	5.783	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)ccc1OCc1ccccc1	409311717	HORKDKAPNFXQAI-FZPRHHONSA-N	565.504	6.757	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)ccc1OC	409315522	IYOQUAOISUGIDM-DBFSUHOCSA-N	639.728	6.054	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	409361938	DXEVGYUHCDYMLH-DBFSUHOCSA-N	599.150	7.353	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCc1ccccc1C#N	409373609	RFXMTPRAMGYQBF-VTNSRFBWSA-N	558.432	6.224	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1	409395023	IXOJNOAPJDJEHX-UHFFFAOYSA-N	570.418	7.028	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(Br)c4c3-c3ccccc3Cl)cc2OC)cc1	409397850	OQHBBJUKZFHKLY-UHFFFAOYSA-N	662.924	7.260	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1ccccc1Cl	409397868	OWUXLMYFRHRJJV-UHFFFAOYSA-N	562.840	7.778	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409398994	XGGAXIOTXCSPMX-UHFFFAOYSA-N	660.863	8.806	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409399007	XHYSQMJRYQJHJB-UHFFFAOYSA-N	620.920	8.485	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(F)cc1	409404980	RPIUBKKBKUWUGV-VHFSBPNMSA-N	655.639	6.103	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccccc1	1440871	PDPGJGYNDKECFL-HLADLETHSA-N	520.633	5.245	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)n2-c2ccc(OC)cc2)cc1	2321153	VJKCEPRYONVIBP-OCSSWDANSA-N	539.617	5.053	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1	2670764	ZVJOXRBHTWBXIZ-MHWRWJLKSA-N	525.373	6.755	50	40	KKGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1I	3169742	FIHHGMIJZLSNDD-VULFUBBASA-N	522.427	5.543	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	3276432	VSANUFCNZJPJHP-WCMJOSRZSA-N	511.578	5.261	50	40	KKGB	
CCOc1ccc(C(=O)[C@H](Br)CCCC[C@@H](Br)C(=O)c2ccc(OCC)cc2)cc1	6600742	QMWHPWAIBANBLA-FGZHOGPDSA-N	540.292	6.637	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(SC)cc1	8443121	MORWXJLTCFEYQZ-QHCPKHFHSA-N	546.699	5.821	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	10476012	OCWPOKABCCUMFA-MUFRIFMGSA-N	501.410	6.063	50	40	KKGB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)cc12	12659783	CXFJGYVRJFOELV-UHFFFAOYSA-N	516.589	5.782	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NC[C@H]1CCCO1	16701125	YHTNTCUBDOPMCW-AZUOUTSGSA-N	522.580	5.460	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccco1	20136794	LTUJLZBWERLKHA-DEOSSOPVSA-N	513.619	5.665	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C2CCCCCC2)cc1	20233091	XESHQIZRHQOJNY-UHFFFAOYSA-N	505.640	5.531	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N1	20348525	FBGGSPALEUCCDK-HHHXNRCGSA-N	508.647	6.010	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3C)nc3sc4c(c3c2=O)CCCC4)cc1	32577041	JUMXZMGKLISBBL-MBTHVWNTSA-N	502.665	5.185	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)o2)cc1	44965608	MKOSDOURZDAQLI-FDAWAROLSA-N	504.627	6.366	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	59647364	AMOORZYHLJZTFQ-QNKGDIEWSA-N	610.648	6.023	50	40	KKGB	
Cc1cccc(-c2nc(CN(Cc3noc(-c4cccc(C)c4)n3)C[C@@H](CCl)n3cc(C)cn3)no2)c1	69571074	VTTQGIZDYLIJIH-HSZRJFAPSA-N	518.021	5.391	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccc(Cl)cc1	97951904	JMWUHCQFJVYRFR-XMMPIXPASA-N	546.476	5.559	50	40	KKGB	
C/C(=N\NC(=O)Cc1ccc(Cl)c(Cl)c1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965697	JBCKNKXXPDFVDE-VNTWQREPSA-N	532.243	5.848	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccccc1Cl	100042215	GPCUNZUMIYAFBN-ALQBTCKLSA-N	565.110	7.201	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OCC)cc3)o2)cc1	100211389	DAAINNGEHUWRJH-UZWMFBFFSA-N	589.670	5.176	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2)N[C@@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	100843621	RIVOCWVLNAQVDC-SLSDLSHTSA-N	578.037	5.945	50	40	KKGB	
CCOC(=O)[C@H](c1nc2sccn2c1P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1	102141096	VXESTPSSUPJOHA-PMERELPUSA-N	610.612	5.654	50	40	KKGB	
O=C(N/N=C/c1ccc(O[C@@H](NC(=O)c2cccc3ccccc23)C(Cl)(Cl)Cl)cc1)c1cccc([N+](=O)[O-])c1	102618454	TUSMVJKGHFMMPF-CMRFDPCTSA-N	585.831	6.017	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl	102718598	GAORSOHULBJHHE-HHHXNRCGSA-N	545.064	6.055	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1OCC	103897642	HCWZPUPEONPXLZ-UXHLAJHPSA-N	616.534	5.075	50	40	KKGB	
C[C@H]1CCCCN1C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2cc(Br)ccc21	104881566	SUSSYYIKALTCMY-SZLZGVTBSA-N	525.472	5.090	50	40	KKGB	
Oc1ccc(Br)cc1C1N(Cc2ccc(N(CCCl)CCCl)cc2Cl)CCCN1Cc1ccc(N(CCCl)CCCl)cc1Cl	150373346	PAYLNXROBUJTGV-UHFFFAOYSA-N	786.297	9.436	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc(I)c1OCc1cccc2ccccc12	150382310	MOCNZUWJSLEEDE-LPYMAVHISA-N	649.441	6.885	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	150621917	WECWWMAQJSTJOU-PXNMLYILSA-N	730.094	6.691	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	163743992	XGYCNLAKMRPDQT-CPNJWEJPSA-N	655.405	5.164	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	169795381	ZNJUGVWXYIKSJT-BETUJISGSA-N	672.167	9.280	50	40	KKGB	
CN(C)CCOc1ccc(/C(=C(/CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)cc1	220764771	SCCVIHKAEAMJAW-LLSHYXBFSA-N	745.024	12.091	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)ccc1OCc1ccccc1	408539569	XPVFICBNTNPVKL-FMCGGJTJSA-N	693.348	7.832	50	40	KKGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408550688	GINHNFKGHUNJKR-CXUHLZMHSA-N	534.321	6.575	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NCc1ccccc1	408552200	PEKFCAOELBCEOY-CAOOACKPSA-N	638.143	6.759	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	408555514	XVQIKOJQRVVRKD-PXLXIMEGSA-N	533.609	6.475	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	408569272	MQLAXKMAKOASMR-DPNNOFEESA-N	575.731	6.820	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	408569873	QRLIFLIPKOZCOO-KCSSXMTESA-N	537.710	6.851	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1Cl	408599720	YZLAZDMAUSEYIT-WOJGMQOQSA-N	540.870	7.613	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N2C(=N1)SC(C#N)=C2N	408605265	LKKQFVVGKSSKLJ-JOCHJYFZSA-N	522.417	6.277	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1	408606046	LDCGRBWSASDSMP-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCc2ccccc2)cc1	408606232	PGUAGHJTDWASCO-AREMUKBSSA-N	508.603	5.351	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccco2)cc1	408643207	FURCKQJINPXRTK-BHDUVLKXSA-N	739.200	5.824	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)c3cccc(NC(=O)[C@@H]4[C@H]5C[C@H]6[C@H](OC(=O)[C@@H]46)[C@H]5Br)c3)cc2)c1	408685326	PBAYJYPOUPXKQF-AJRGIQLZSA-N	603.513	6.673	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408689591	YRMLSJOGQIHTAZ-NCOADZHNSA-N	623.556	6.126	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1cccc2ccccc12	408743472	AJXJXTJREHBQIT-UCQKPKSFSA-N	574.418	6.886	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(I)c2)c1	408746356	SAILRWPMCVGBGT-ZDLGFXPLSA-N	621.244	6.716	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc(OC)c1OCc1ccc(Cl)cc1	408746821	WFGNMLBDHUYVED-HAHDFKILSA-N	502.998	6.600	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)ccc1I	408748072	XYFYSPBFNCUNNA-KKMKTNMSSA-N	768.127	5.861	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408748989	DFVVSMXTSMEWIU-MNBJERMJSA-N	596.852	5.910	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1ccccc1	408765370	PEMSKRUSWSTMMX-OKCVXOCRSA-N	534.410	5.504	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C	408779149	ANOFISIDOWXMCP-KQWNVCNZSA-N	551.559	6.811	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1	408786978	YYUIQLGNYMYUKR-UYRXBGFRSA-N	650.344	7.577	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408787786	GFUQBIVNQIPSPT-VXLYETTFSA-N	651.284	6.908	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1F	408790827	ZFADXVJVZBIPBC-VCHYOVAHSA-N	587.345	5.862	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1F	408815061	RJXMYUGYBQXJSE-SXGWCWSVSA-N	520.185	7.020	50	40	KKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Br	408822345	LSXQWUPHNMAHMW-XDHOZWIPSA-N	556.243	6.893	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1	408833707	SIFJXPYEWHIZDW-KOEQRZSOSA-N	525.004	7.052	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c(OC)cc1Cl	408836918	WYTBCJVMYWAATH-RQZCQDPDSA-N	517.796	6.789	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408842501	AHBRUVVCKKMBLO-GIJQJNRQSA-N	639.171	8.350	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408846587	TZWOQZPGIVGLFN-KZEIVMGFSA-N	716.668	9.674	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408847173	MCQCACGIKNEQDB-DBSPGSINSA-N	598.530	8.501	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(I)c2)cc1	408854864	ANGIJFJTZPTGMB-LRIZEKIPSA-N	661.543	8.553	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	408861268	BDRUEESGCWFWEU-OKCVXOCRSA-N	533.572	5.086	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408862770	LYPWYRIUOBBCEA-FABQOPTDSA-N	687.012	6.353	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c1	408863460	SAPSMYCKWULVAX-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccc(C)cc1	408866285	HBLBUSVBWXDBJC-QLQYKETESA-N	628.150	6.735	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408875734	HFPGZGPMZFOFLO-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1OCC	408877155	TYAKEBYSCLGELD-RDRPBHBLSA-N	544.073	5.182	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OC(=O)c1ccc(OC)cc1	408878467	BMEDITBBBDYAAM-XMHGGMMESA-N	568.367	5.463	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1Cc1ccccc1Br	408881905	KZTJQIYHMJWHAN-YBFXNURJSA-N	540.255	6.665	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1OC	408884351	UDQCMACZBYIQOC-VTNSRFBWSA-N	615.539	5.764	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1	408884823	YJJLZPVKXBBQST-DEDYPNTBSA-N	626.403	5.250	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2C)c(OC)c1	408894701	KSKSROGOSVYKTR-UVHMKAGCSA-N	562.258	5.880	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1cccc2ccccc12	408905292	WRXLDDWOEGYEAJ-MNDYBZJGSA-N	529.936	6.499	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccccc1C	408921789	BZCNAXSVKNQCAY-YBFXNURJSA-N	603.254	6.495	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408948631	PQOCRNAUZDUWSX-HKBQPEDESA-N	860.512	6.513	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	408951988	JLYLMYAEQUTPHX-CVKSISIWSA-N	516.233	5.874	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cccc(C(F)(F)F)c1	408962053	GAZMIGYUGJVKFA-VPUKRXIYSA-N	593.170	6.960	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408966524	MAELDFLWWCOEEW-XODNFHPESA-N	541.333	5.110	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br	408976385	AQJSLTRSUAPMQW-NQLRXCNRSA-N	559.258	5.232	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c2ccccc2)cc1	408979062	LBPFKMZECOGLJR-ACWBYSHRSA-N	622.703	6.195	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C)cc1	408984122	PSTGCCOEYXAIML-NHDPSOOVSA-N	539.857	7.243	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	408989081	GVLXMXNWXHDGSP-CPNJWEJPSA-N	609.092	8.202	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408990624	LDRSHDCAJGHHLU-MCACAFMRSA-N	758.879	6.596	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)ccc1OCc1cccc2ccccc12	409012524	IOUOERIIYHBNLV-HDQUPXCUSA-N	581.713	6.104	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1ccc(F)cc1	409023621	ZVWWOXIGXCZSPY-BVMLUPFRSA-N	552.400	5.643	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1cccc(Cl)c1	409030360	CVTBTGYHGNHTMZ-MWBNBJEGSA-N	709.009	8.553	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1cccc(Cl)c1	409036346	RBWHZWFWLXUHIF-HNSNBQBZSA-N	522.004	6.907	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078833	IIFLMLVNHYVLOQ-OQLLNIDSSA-N	594.315	7.252	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1ccc(C)cc1	409122913	CHVPNRQXKYOZCD-XMMPIXPASA-N	554.384	5.501	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1C	409165021	RCTIBPLLKSVXTH-VVEOGCPPSA-N	601.885	5.143	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl	409170856	WVCCNJCKAIUHAX-PNQUVVCRSA-N	598.270	5.805	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccccc1Cl	409248017	JNGLCCGVVHFOHI-HYARGMPZSA-N	539.857	6.346	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1cccc(C)c1	409249202	SPTAAWLKAKXVMH-VFOSSOBBSA-N	505.412	6.130	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccc(Br)cc4)cc3)CC2=O)cc1C	409258639	UZXJLLDVVVLBGW-RUEQZMELSA-N	520.427	5.148	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(OCC)c2)ccc1OCc1ccccc1	409259170	ZYBURVCWWHDSAY-CLHYIUPASA-N	630.141	7.115	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409260012	JEFJAGORSUSKAA-YVLHZVERSA-N	589.273	6.718	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)c1	409263838	OQTBEAVXCFEUCX-LICLKQGHSA-N	587.243	6.222	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409267191	MGUATQIVQBGEIE-GRSHGNNSSA-N	626.407	5.388	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1OCC	409315782	JVLIUHKDFWKNDS-QRQIAZFYSA-N	511.416	5.980	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409373887	VQARUDAAODJHAA-LUOAPIJWSA-N	681.095	6.554	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCc1ccc(Cl)cc1Cl	409383808	ILMXSWRLRBRZLY-CAOOACKPSA-N	625.340	8.452	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409386356	PRZFIGLPLQHVDI-UVHMKAGCSA-N	599.419	6.222	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	409388055	TWBCHSNHMHUZOM-WJDWOHSUSA-N	528.765	5.805	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCc1ccc(Br)cc1	409388110	UHIVZMIHWYAIKY-VXLYETTFSA-N	559.258	6.250	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)cc(OC)c1OC	409395909	TWFQGNZRQSWUAT-UHFFFAOYSA-N	776.265	8.676	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396265	IOVHPPKQXDMBFE-UHFFFAOYSA-N	632.500	7.541	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396809	BLMSOXNTNQBVFN-UHFFFAOYSA-N	583.431	7.005	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409396995	DVFNHLCBEJWFDB-UHFFFAOYSA-N	684.317	7.738	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397497	KLYXOWHIQKRZTB-UHFFFAOYSA-N	600.002	6.738	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1O[C@H](C)C(=O)O	409405981	VPPOOWTZJRPSOH-LJQANCHMSA-N	610.461	5.653	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)cc1	1310299	IIEKVYROXADSLN-PMERELPUSA-N	551.668	6.915	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1	1790190	AKHBLMOVUQMKHU-CKVBZJJFSA-N	556.844	6.307	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2-c2ccccc2)cc1	1902352	RWAKOFKMVXIYRK-MUFRIFMGSA-N	526.643	5.365	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1cccc2ccccc12	2093358	PAYQQYTYOSNIFT-HHHXNRCGSA-N	557.400	6.137	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1	2207882	IAFXDIYWFBBNCK-RAMZYJDASA-N	502.039	6.330	50	40	KKGB	
CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3)c3cc(Br)ccc32)C1	2366959	MRFPSSZYPJMZRY-HTXGALJUSA-N	543.893	5.441	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1c(Br)cc(C(C)(C)CC(C)(C)C)cc1Br	2765725	PRUSFEQEDDFLAJ-KKMKTNMSSA-N	599.320	6.371	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1Cl	3090234	CHMQPMWAJQLITA-KBVAKVRCSA-N	501.970	5.673	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1cccc2ccccc12	9259122	FEGLIEHQEIYPSR-HYARGMPZSA-N	500.957	7.156	50	40	KKGB	
O=C(COc1cccc2ccccc12)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	13109581	OKBDPUOFWIDMRO-VTNSRFBWSA-N	506.480	5.848	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccco2)cc1)S(=O)(=O)c1ccccc1	19956896	IGAINJNBTRWVSF-OGLMXYFKSA-N	507.999	5.401	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)c2ccc(Cl)cc2C)cc1	59857403	VZUGHAALSTXCHG-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1c(-c2cccc(C(F)(F)F)c2P(=O)(c2ccccc2)c2ccccc2)cccc1C(F)(F)F	95611985	LLQACEQUDISOQE-UHFFFAOYSA-N	690.560	8.670	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1cccc2ccccc12	97960721	PPTZDXAWTGSQEG-XYGWBWBKSA-N	555.472	7.688	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1	97980872	KLJJZMYZDYSQIV-HNSNBQBZSA-N	542.592	5.266	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(Br)cc3)n2-c2ccccc2)cc1	97990102	QQCFZKRTKFZRAS-PKAZHMFMSA-N	536.455	5.338	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3Cl)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048748	RQANSUYEYXYHJZ-MHZLTWQESA-N	561.063	5.761	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100127416	FYGZVPIOTQYZGC-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)ccc1OCc1ccccc1	100314115	ZBICVHMEJHXTMO-BIZUNTBRSA-N	561.635	5.067	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1	100990838	QILXQJKNNNIWKP-GFPZRUSRSA-N	587.326	6.499	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1C	102935028	XEPZWSBIKWRMTH-RGVLZGJSSA-N	606.382	7.142	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1ccc(Cl)cc1	102978987	ILJRCVZVZUWJOK-JFLMPSFJSA-N	550.678	6.906	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	103896812	KQHOJDVARDHSRR-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(OC)c3)N=C3CC(C)(C)CC(O)=C32)cc1	104133848	NWWYBWVXYLBWGT-VWLOTQADSA-N	503.624	5.981	50	40	KKGB	
C[n+]1c(/C=C\c2ccc(/C=N\NC(=O)c3ccc(C(=O)N/N=C/c4ccc(/C=C/c5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21	150423043	MBLBEBVYTSCMFS-DJSRSHKHSA-P	684.804	5.710	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	150485729	ZGROUDMKXYXQSI-KPGMTVGESA-N	660.536	5.672	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)ccc1OCc1ccccc1	408539648	JBDYZRWAQQBBLQ-CFRMEGHHSA-N	696.823	8.967	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Br)ccc1OCc1ccccc1	408540560	TZRXTGXNXBFSJV-ZMGVVAQMSA-N	669.326	7.050	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408542808	NYJQBHXSDITETE-NVMNQCDNSA-N	650.210	5.719	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1C	408569149	ZDLDSPLECGBMGT-UVHMKAGCSA-N	669.257	5.693	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1ccc(Br)cc1	408579648	JAITVNQXRNQXII-YBFXNURJSA-N	513.185	6.553	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccs1	408644401	RBOQVJARQLTCQI-PYHGIMPFSA-N	623.150	5.217	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	408743084	UNJNXEOVBJZLRA-OGLMXYFKSA-N	594.516	8.582	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1	408744788	HELMAGLNKOORPX-ZDLGFXPLSA-N	695.251	6.327	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	408754787	RSHIULCVQVMOET-WSSSDRMFSA-N	522.454	5.405	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)cc1	408760197	UHBVIUMSPYRYMO-UZWMFBFFSA-N	550.721	6.146	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408760513	ZXZQNEFBMZXYEN-AUWJEWJLSA-N	627.256	5.986	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408761871	MCZQCKNMBAJBEF-FMFFXOCNSA-N	625.744	6.145	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I	408789119	OBQKRTJJBBAAAD-CXUHLZMHSA-N	582.179	5.070	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1	408796127	NHKULMRDAOUNBZ-VCHYOVAHSA-N	682.227	5.946	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(F)cc1	408798057	UBRDTZBEJBUOOH-PCLIKHOPSA-N	648.472	7.533	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(Cl)cc1	408815466	JKPFWEITLAZHPF-MOSHPQCFSA-N	525.805	7.095	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408820748	ZNYDLPDYUCPEST-JAIQZWGSSA-N	588.829	5.764	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)c3ccccc3)o2)cc1	408828815	WCTHXVYEKPTFJB-OKCVXOCRSA-N	556.471	6.050	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408829132	OGJGFJDCLXYLAY-ODQASSKESA-N	739.903	7.959	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408829938	QMQOHOUJPCWEHA-IPBVOBEMSA-N	572.670	6.526	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408830131	RGJDQECTSUKSQD-ZCTHSVRISA-N	608.514	5.382	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc(Br)cc1	408834610	USLWBHMHOJIBOG-LFVJCYFKSA-N	648.351	7.924	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCC	408835199	NBKNGVAOLUPQHK-YBFXNURJSA-N	545.850	7.569	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408844142	VDLQMFFZCOLMPZ-PPFNPFNJSA-N	589.117	5.945	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408844174	VHFPKVLRZWDCDN-ZXTCRCEHSA-N	702.660	8.439	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408848329	VWHKWPPVRSEQPI-OKCVXOCRSA-N	577.504	6.962	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c3ccccc32)c1	408852318	SJWDDKLMVPNWAQ-ICUTVXMZSA-N	522.652	7.528	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	408855979	AFDCNOVYCJMLBM-XICOUIIWSA-N	654.701	5.690	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4c(C)cccc4C)c3C)cc2)CC1	408862040	WQSCYXGKCPBUQV-FADJLKOXSA-N	549.719	5.806	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(C(C)C)cc2)cc1	408866681	HWTLPHJDJSGLSR-HNSNBQBZSA-N	577.150	6.525	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408868885	PSDMMQBKTBBFAU-IBBHUPRXSA-N	607.332	5.940	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)c(OC)c1	408870625	WUOYIEHOXRQKAB-WYMPLXKRSA-N	547.438	6.966	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408876082	JFJFXXJYWOTNMS-RUMWWMSVSA-N	561.063	5.328	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(C)c1	408876289	NRRYRSJHRCXRBM-VXLYETTFSA-N	545.355	6.910	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408879637	CBSMKUBBDMNCKM-KEIPNQJHSA-N	650.113	5.553	50	40	KKGB	
Cc1ccccc1COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408882476	RDAVJGHPOPZMCQ-FMFFXOCNSA-N	500.683	6.958	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408884642	URIHGTOGOJFURN-FYJGNVAPSA-N	569.477	6.086	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1Cc1ccccc1Br	408884927	WAQZQKQQMQCXEV-GIJQJNRQSA-N	574.700	7.319	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408887762	TUTSAUOMSXRZRW-KPKJPENVSA-N	507.127	6.470	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1cccc(Cl)c1	408889394	GCODFIIXMRRAAW-ZCTHSVRISA-N	500.982	5.314	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408895356	MLMFWKHNJGOWLX-WOJGMQOQSA-N	760.242	7.145	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1cccc(C(=O)O)c1	408905105	TTYQUPAMBDQIML-QDTIIGTASA-N	582.363	5.543	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(I)c1OCc1ccc(F)cc1	408925805	TXEXQCVVCXMSOW-KKMKTNMSSA-N	591.402	5.402	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccccc1F	408943706	ICXQZQRFJKPMSX-HKBQPEDESA-N	646.741	5.027	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1	408945438	KSEKISYMNUOBLF-MUUNZHRXSA-N	685.572	5.061	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)OCC)cc3)c(Br)c2)c(OC)c1	408947771	BHPYVBKBUVOTQS-LDKHFMKXSA-N	802.473	5.696	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)c(OC)c1	408952396	KFXWULHPXDIVJA-CJPARAFHSA-N	685.561	5.700	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408954125	YMTDHAJWQROQKS-MHZLTWQESA-N	785.342	6.982	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1cccc(C)c1	408956470	XECGTHFRYVVBIK-QRVIBDJDSA-N	591.449	5.934	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C#N)cc2)c(OC)c1	408958619	ZNKXVWTXSVKFKH-DBXYLJAYSA-N	755.420	5.391	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(C)cc1	408960517	GFCHZBPXKYSEAV-CCVNUDIWSA-N	507.930	6.044	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	408968912	CUCKZEAIKRWRDW-WLVVRZKCSA-N	556.490	5.817	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OC	408970735	CTMGCOYZQQHPRX-PREZWVLCSA-N	636.314	5.064	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1Cl	408983766	HOYYTVMTNKBTDT-FMCGGJTJSA-N	531.837	7.689	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409000032	WQWUSHCDSDYYKF-HOKQKXSGSA-N	578.581	5.629	50	40	KKGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(OC)cc2)cc1	409004395	CKENYGOMRYSUQP-DBXRVWDMSA-N	591.620	5.646	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409009349	DMFSNVHYWKYDLD-ORBVJSQLSA-N	777.989	7.576	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409011587	GMTXXXQZAUHUHN-KSPJNOLSSA-N	743.515	8.652	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409020528	QFDSAIPEQHPNOA-ZSNJKBEMSA-N	642.778	6.721	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409033035	KFXXMEOLAVFSPT-OHUYPAJKSA-N	662.325	7.612	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)NNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1	409034968	ONPPYSILACJQSA-XMHGGMMESA-N	598.453	5.324	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12	409036829	RQVWCMPSGUUHGA-WOQJSSNBSA-N	568.680	8.790	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1cccc(Cl)c1	409037458	NQMJBAFLVGIPEP-IZYHBKOJSA-N	723.036	8.862	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	409071208	PWSLZIRYWZRZFK-GZTJUZNOSA-N	571.396	5.316	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409074012	PJJTZHMKTFFYLL-PCLIKHOPSA-N	540.572	5.423	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409085747	ZVSZENGHBMBTGC-OQLLNIDSSA-N	549.864	7.143	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	409129093	UINWKHVTJCPWJZ-OAQYLSRUSA-N	546.190	5.853	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409136740	VASCVQQKGMJHLY-HXUWFJFHSA-N	669.213	5.198	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409143107	ZBTHZRDETXCCBI-DEOSSOPVSA-N	633.356	6.312	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccc(C(C)C)cc1	409161092	WJARJXCXIKBCIY-VWJSQJICSA-N	599.913	5.318	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C	409165369	XGNWRBJJPQFYJR-VWJSQJICSA-N	609.521	5.496	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409167113	HDDJZYLFRRAMIF-PNQUVVCRSA-N	669.303	5.330	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)NC1CCCC1	409190104	KSSNAXFTGPYZGA-SXGWCWSVSA-N	632.667	6.094	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409212574	NBTFZUSWPOKFRB-XKJRVUDJSA-N	602.765	7.629	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	409213630	SJYUREDLGQRUMI-RPPGKUMJSA-N	524.267	6.577	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccccc2Cl)c1	409219711	UEDMBJCPNBTBDB-UHFFFAOYSA-N	734.626	7.863	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409220249	VJXSXKONAIUJAX-AWBJKGOUSA-N	646.578	6.647	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409223141	GSJFVQYNXJNAGF-UHFFFAOYSA-N	710.291	6.084	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409235180	OBXUOOWQILOCTR-XKZIYDEJSA-N	543.878	7.280	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccccc1	409244680	HEDSOIIXKPHKHE-WCEBZYJUSA-N	540.255	6.575	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409266580	PYLZMPVKBNSYLQ-BKUYFWCQSA-N	514.538	5.174	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)ccc1OC	409314252	QSGAZTYVJPLXMI-DBFSUHOCSA-N	537.878	6.231	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409337532	YQKLGMLRSPFHAM-UXHICEINSA-N	525.841	5.717	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)N1CCCC1	409371323	ICCNRFYXRVJLGD-NTEUORMPSA-N	510.266	5.698	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409371388	WFQCEXYZWDNZCG-MHWRWJLKSA-N	542.336	5.299	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1	409395821	SCSQRNYIQHRLOI-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccccc1	409396513	YTHBLNJAAVLHAG-UHFFFAOYSA-N	617.297	7.343	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397786	OCBVZFLPWLGUOS-UHFFFAOYSA-N	616.983	7.370	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Br)cc3)[nH]c12	409398120	QUAIXCSEMBFYIU-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409403952	OSRLKDXKWWNXFO-AEVGBRMKSA-N	645.543	7.663	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(C)(C)C)o2)cc1	409405720	UXCYQDUGSCFXFX-LJUMEUDFSA-N	520.029	6.861	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(Cl)cc1	409407412	ZQYSYWWOKOFABX-VHFSBPNMSA-N	672.094	6.618	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCC(=O)Nc3ccc(F)cc3)o2)cc1	409410590	YCGVQJLVWGMGMO-ADJDCTSUSA-N	693.957	7.603	50	40	KKGB	
COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2	953997740	LAVNQRWLLQGEIB-BTRDWVIRSA-N	995.611	5.842	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	1529547867	QFYRPVROFBEKAL-FKZKYSLJSA-N	753.446	6.062	50	40	KKGB	
O=C(NCCc1ccccc1)[C@@H](c1csc2ccccc12)N(C(=O)CCl)c1ccc(-c2cnco2)cc1	2090608801	ZLCPSXKEQBUXRJ-MUUNZHRXSA-N	530.049	6.228	50	40	KKGB	
N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)s1	3664876	GHUWWKYYXATYCB-NRFANRHFSA-N	525.497	6.017	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)cc1	4017887	YHUZUICTYOJELO-XBMIVGTPSA-N	715.203	6.361	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	4045455	JMFDLVXMNQSTJC-KGZFYWGGSA-N	640.096	6.235	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCCC)c(OCC)c2)cc1	20198051	XZCMEIDMDRRKLS-BUVRLJJBSA-N	510.372	5.031	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3cccc(Cl)c3)c2C)c(C)c1	20243665	RHRFRMYVWNAVDQ-KKMKTNMSSA-N	518.908	6.510	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccccc1	20243880	WZZJTWFUGVCMPU-STBIYBPSSA-N	518.480	6.913	50	40	KKGB	
N#C/C(=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3	35203045	BZOBZBKBRNTCNC-VKAVYKQESA-N	501.637	5.300	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1cc(C(F)(F)F)ccc1Cl	59885845	YZBOWIVXMUTANX-AMVVHIIESA-N	533.959	5.582	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	97964151	CEANECYHZNFOMP-MEHFINFHSA-N	542.595	5.340	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	97965784	PQTPCAZNDKJYTB-ZUEBVUGESA-N	658.924	6.251	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)ccc1OCc1ccccc1Cl	98045600	JNDSNSAVKYPCST-HHHXNRCGSA-N	541.007	5.059	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1cccc(Br)c1	100063556	BDXKSXBCAYXXOD-RUMWWMSVSA-N	610.961	6.960	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	100303049	VXBHJJZVOYEIQH-JBASAIQMSA-N	537.682	5.068	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNC(=O)c1ccccc1Br	101007348	KXRYWFMTYGYFTP-RGEXLXHISA-N	566.930	5.325	50	40	KKGB	
Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)OC(=O)[C@@H]23)cc1	101025682	OJACJWCOYYNTTI-NTNLBHODSA-N	510.589	6.002	50	40	KKGB	
Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)nc2ccccc21	101064320	YZDDZROXSRBBFZ-BWAHOGKJSA-N	542.042	7.723	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C1\C(=O)N(CN2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c2ccc(Br)cc21	101101601	QOFRCDRFTLFTNL-JVSOEOJLSA-N	523.475	5.096	50	40	KKGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc1	102512679	WVFPBCISKAFBSS-WELLZUMNSA-N	564.465	6.451	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)N=C3CCCC(O)=C32)ccc1O	102601181	ZLICSHZPLAAXER-HSZRJFAPSA-N	530.433	6.349	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccccc1Br	104402256	RDYFBFCUKNYBCA-RWPZCVJISA-N	538.239	6.708	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(Br)c1OCc1ccc(Br)cc1	105932051	AASQVLANYOCVSD-UVHMKAGCSA-N	547.247	5.535	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)c(C#N)c1C	106303971	ZMWNIYKJANYVBQ-CXUHLZMHSA-N	522.966	5.524	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	150410111	ZGZRCVXEXNVBSI-SEBMTOOBSA-N	656.160	7.245	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1cccc(F)c1	209488943	ZZNAKVZFTGGZOM-SRZZPIQSSA-N	513.350	6.781	50	40	KKGB	
CCCCOC(=O)c1cc(-c2ccc(C=NNC(=O)Cc3nnc(NC(=O)c4cncc(Br)c4)s3)o2)ccc1Cl	254420482	VERGUJOZKGKCKA-UHFFFAOYSA-N	645.923	5.511	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408539682	XZMLLDXZUBUZFX-APTWKGOFSA-N	621.601	8.356	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1C	408542087	GPMONYMGOYKTEO-CXUHLZMHSA-N	557.326	7.726	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(I)cc1	408544573	UYABOEOMDOWWJX-BKUYFWCQSA-N	525.342	6.031	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c(C(=O)OCC)c1C	408545966	AUOWCYKJSUWWQY-UDWIEESQSA-N	614.489	6.609	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)c1ccc(Cl)cc1	408579371	GJYJGWANSNXLRJ-RQZCQDPDSA-N	538.066	8.162	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1OC	408583951	YXJORQGVLPGSHQ-GZTJUZNOSA-N	534.815	5.952	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(Cl)cc1	408598843	KIFRAQYYZIKRHL-OKCVXOCRSA-N	584.841	6.839	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1)NNC(=O)c1ccc(Cl)cc1	408666108	NVSHKVJISRMFTB-UHFFFAOYSA-N	588.842	5.008	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	408710787	KJMANTXARZOGFW-KKMKTNMSSA-N	674.127	6.176	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408743227	FFXVSLHMQKTBRN-ZDLGFXPLSA-N	546.248	7.198	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1)Nc1ccccc1I	408754044	PFSYQHNQSZSQGA-LQKURTRISA-N	549.368	5.226	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408755457	VAFVSXALURHTFW-VFLNYLIXSA-N	570.203	6.502	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	408756054	QRGJPODAUNMSOQ-HZHRSRAPSA-N	527.418	7.126	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(Br)c1	408759927	OHNUXSLHBGOYGQ-PXNMLYILSA-N	581.091	7.643	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccc(I)cc1	408763039	NFSXTGSRKDHRNB-RPPGKUMJSA-N	568.198	5.379	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(Br)cc1	408764933	UHBZFRUETJZHQF-PDGQHHTCSA-N	512.201	6.336	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)c(OC)c2)cc1	408778735	XUJLOBKFDVNBIC-UNOMPAQXSA-N	586.280	6.744	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408780799	KXZBFZNIKHNEJB-QJOMJCCJSA-N	549.412	5.126	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1	408781537	UEGCKGXGYGYOSQ-ZCTHSVRISA-N	562.047	5.213	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cc1	408792319	AJQLYVKTNWGYAE-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)cc(I)c2OC)cc1	408792687	BYRABUODDNIPOU-RIYZIHGNSA-N	558.157	5.012	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(Br)cc1	408811095	LANKOFLALRAJLR-MWLSYYOVSA-N	519.395	6.275	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408821973	ABJYFOYKOAJMBD-BUVRLJJBSA-N	662.924	8.113	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(C)c(Cl)c2)cc1	408829227	LCBYAFVDMWVTGQ-FABQOPTDSA-N	639.561	5.973	50	40	KKGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408842765	KRXXMUZVALSWMZ-KBKYJPHKSA-N	558.359	6.041	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc(F)cc1	408852761	NCWAQAALPVZRST-YBFXNURJSA-N	588.271	7.183	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408854152	YNYCFNWUEOBMFF-FYJGNVAPSA-N	592.408	7.025	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1cc(C)cc(C)c1	408887849	RPULLCSRIMOBGJ-UFFVCSGVSA-N	539.857	7.161	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cc(C)cc(C)c1	408890958	IZSBYQHMHAEWCF-HYARGMPZSA-N	505.412	6.589	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OC	408892356	YTVDKNKIEPSAAS-IZZDOVSWSA-N	503.123	5.161	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1	408897312	RJOICCPRFGETOP-CPNJWEJPSA-N	531.793	7.021	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408955245	OKCOGDOJOLNUSF-NAWMDJKCSA-N	754.849	6.717	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408969384	NAPTUNZECSXGFC-DVAMMYLFSA-N	600.941	6.050	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)cc1	408989997	JQHGYXVIZNJPIS-QJTJCFJFSA-N	623.716	6.889	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1	409000070	WYISONDQNCMFRS-MQVSESQSSA-N	582.454	6.393	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)OCc1ccccc1	409002025	LQIUBWQKQCSADA-NAMNZIITSA-N	582.060	5.783	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	409027939	GQNXZUPFFXXGSA-KCSSXMTESA-N	611.507	5.357	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1	409047025	MAZLQFOEFDSINK-YBFXNURJSA-N	590.293	5.511	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)c1ccccc1	409065468	LZHCZHCSTFYQKW-GZTJUZNOSA-N	519.214	6.043	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409075635	SOBWOTQFKDMTGG-OQKWZONESA-N	567.063	6.179	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)C2=C1CC(C)(C)CC2=O	409136518	XBAWRTAISQOWDZ-SANMLTNESA-N	547.055	5.182	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccccc1F	409138522	DCOQCANFWSTDBW-HSZRJFAPSA-N	511.347	5.490	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	409144004	HWBKHVSLRBFQOT-KSMQFAOTSA-N	634.486	5.073	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc5ccccc5c4)c(Br)c3)cc2c1	409188271	YCJUJCCFKZLBLI-LJUMEUDFSA-N	543.417	7.090	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409268299	SAHSYCOJYWLKNS-AEVGBRMKSA-N	766.061	8.300	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(C)cc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409311270	ZAOHADNSUPPKPX-VXKWHMMOSA-N	576.502	5.427	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)ccc1OCc1ccc(Br)cc1	409351946	XWOJJOPWDIJQLW-CCVNUDIWSA-N	561.274	5.752	50	40	KKGB	
Cc1c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2n1Cc1ccc(Br)cc1	409371936	CCNRAEQCNKWDBP-DICXZTSXSA-N	505.372	5.362	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	409372801	KRMRDRQLNCCYLX-AMVVHIIESA-N	558.259	7.261	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409383446	VGEKJMZIELYALI-LDADJPATSA-N	540.403	5.964	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1)Nc1ccccc1F	409388906	XYEAQHSDNHMVPW-KVAAJVFYSA-N	600.075	7.128	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)cc(OC)c1OC	409395677	QNQQAXQATJVNMX-UHFFFAOYSA-N	658.505	6.615	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409397382	JGBWMEYKXBXXER-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397903	PIAAUYWMUQRBMH-UHFFFAOYSA-N	607.663	6.551	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(O[C@H](C)C(=O)O)c([N+](=O)[O-])c3)o2)cc1	409402246	JJGNVLOZHMDBLP-SQZAGUJWSA-N	625.432	5.553	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4cccc(F)c4)ccc4ccccc34)o2)cc1	409402754	KVYAKUXZEQZXJC-GLJXUZQSSA-N	587.651	7.901	50	40	KKGB	
COc1ccc2c(c1)CC[C@@H]1[C@@H]2[C@H](C)C[C@@]2(C)[C@H]1CC[C@@]2(OC(C)=O)C(=O)C(Br)Br	575625254	CQPHZFNOXSLULF-ZUHGIMCRSA-N	542.308	5.784	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(Br)cc1	1531387098	BWKSXZCXNWQVNL-OCSSWDANSA-N	569.371	5.836	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Br)cc3)nnc2-c2ccc(Cl)cc2)cc1	1900935	OSDWSWCQNKENMH-RWPZCVJISA-N	570.900	5.991	50	40	KKGB	
O=C(CSc1ncc(C(F)(F)F)cc1Cl)NNC(=S)Nc1ccc(SC(F)(F)F)cc1	2562194	JYYNFVDLMUPPQT-UHFFFAOYSA-N	520.933	5.476	50	40	KKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1c(Br)cc(Br)c(O)c1Br	3139212	ZVYRLSXUGHNKSE-OPEKNORGSA-N	583.074	5.876	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H](NS(=O)(=O)c1ccccc1)c1cccc(Br)c1	3177645	IDXFYLXRMWSAON-VWLOTQADSA-N	526.392	5.440	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	3255671	OGHFETITFKEFNT-BOPFTXTBSA-N	535.747	7.246	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	4150626	QIOQGPCFRQLCIA-VKSJCQJWSA-N	558.388	5.359	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	4210429	XESYGCAAYYKZMX-PDGQHHTCSA-N	505.441	6.214	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc2)sc2c1CC[C@@H](C)C2	6167165	IWANSWBNPMKQSC-QHQNOQBJSA-N	602.540	6.526	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(=O)OC(C)(C)C)=C(C)N2)cc1	19947392	MYTDBAIRDVBFPV-DEOSSOPVSA-N	526.058	5.758	50	40	KKGB	
COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(NC(=O)c3ccco3)cc2)c2ccccc2n1	20158795	RLSRXJIDGBLLRY-HNSNBQBZSA-N	504.546	5.910	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)cc1C	20243699	XHDRBYMZBKUAKV-RPPGKUMJSA-N	504.881	6.369	50	40	KKGB	
COc1ccc(Br)cc1/C=C(\C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1	26770301	MWFKCUSGEQCAJM-SFQUDFHCSA-N	506.381	6.491	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1F	28217147	CCHDNYBLRWGHJV-FQAMYZABSA-N	526.637	5.771	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccc(Cl)c(Cl)c1	30743052	QFTVTZREKJMOER-UYOCIXKTSA-N	503.889	6.033	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(Br)c3)n2-c2ccccc2)cc1	31871136	QTTFEVQWYSYZRY-YSMPRRRNSA-N	506.429	5.248	50	40	KKGB	
CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1	38658511	IHVYDSHOWHSBGP-HHHXNRCGSA-N	500.551	5.320	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc3)c2C)cc1	58915020	DFAYWGXYHYWXJH-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)cc(Br)c1OC(=O)c1ccc(C)cc1	97962718	OKCBIVKJENBKPS-CCVNUDIWSA-N	525.399	5.131	50	40	KKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(Br)c(O)c(OC)c4)CC(=O)N3C2)cc1	98048411	REQDRAFIJKIFEW-LJQANCHMSA-N	528.472	5.725	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	100124927	MGJSBUABBKKNCL-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	100218421	WQPBPWAFOPGUFJ-FNTLCPBMSA-N	609.642	7.679	50	40	KKGB	
C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N/NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S	100393380	YGCGGVMHGGKCIA-YCCFFVNPSA-N	589.551	5.384	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(Oc4ccccc4)c3)nc3sc4c(c3c2=O)CCCC4)cc1	100852519	FWYADAJDDOGCQZ-APTWKGOFSA-N	580.735	6.669	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1OC	100853304	PJZXDCBTCDPVJQ-MIXAMLLLSA-N	536.057	5.546	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1	100869212	NQZHCRYNJXAXDK-RKZIHRPTSA-N	523.536	5.779	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	100936193	AALUWSHIXUXUFR-BWGHBQEHSA-N	557.306	5.997	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)c1nn(-c2ccccc2)c(/N=C/c2ccc(-c3ccccc3F)o2)c1C#N	100957326	AUWZLFSIHBHZTO-GWFIAFMESA-N	584.010	8.871	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1C	100982494	MBIATHQYLLVVMT-XYZDCVNTSA-N	522.457	6.675	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1	101247929	ODMWGIGFRIUQDD-IQQNDYETSA-N	546.838	6.851	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl	102412943	LYAFMZPOFDPDBF-OHUIHDMLSA-N	595.277	6.025	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl	102718295	MGPFJTZGNSYUCU-NDEPHWFRSA-N	593.536	7.017	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2sc3c(c2C#N)CCCC3)N1	102810247	UHTRFLNYCJXLEW-MUUNZHRXSA-N	600.169	6.859	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(CCCl)CCCl)cc3)ncn2)cc1	104050336	YIJMCPJPUKDEJH-FACPPWRESA-N	564.388	7.385	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342085	WBKTVLPEMCRPQX-UWTATZPHSA-N	842.037	10.293	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]4C3=O)[C@@H](Br)[C@@H]5Br)cc2)cc1	169619028	JLYYHAXYIRGYLC-WNJOOUCCSA-N	609.358	7.087	50	40	KKGB	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21)N1CCOCC1	245232181	QCEZKCHLIFIBQP-RETDVDAXSA-N	595.077	6.014	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408526635	CSZSUMJTIDETIH-PNQUVVCRSA-N	679.218	6.056	50	40	KKGB	
N#CSc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)c(Br)c1	408535049	XIUSCPPOXIYQOB-DEDYPNTBSA-N	656.400	6.831	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408538123	JJLSQVCGJUWVBN-MYYYXRDXSA-N	647.953	8.213	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)ccc1OCc1ccccc1	408539039	DTCSVQFXMJIVEX-FZPRHHONSA-N	594.451	7.222	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cc(Br)cc(Br)c3O)c3ccccc32)c1	408542978	MOQRDOLVGMOQQD-KVSWJAHQSA-N	585.252	5.471	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(C(=O)OCC)c1C	408546032	CTHXNVCNEUJPDE-MHWRWJLKSA-N	555.992	5.740	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	408580343	OQIQWKSICKFHGY-YBFXNURJSA-N	556.254	6.610	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408598534	CNUFSNWOOYAWKD-MUFRIFMGSA-N	601.441	6.239	50	40	KKGB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	408659472	VWJVZWWJYRVSHC-QEQKNVQMSA-N	659.158	5.020	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408710922	WTCDVAJZMZPORM-UVHMKAGCSA-N	543.215	5.435	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(I)cc1	408712106	ZQEDTNAGYBSKEP-BRJLIKDPSA-N	569.624	6.050	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I	408743433	ADTGECNSHZFLPE-QPEQYQDCSA-N	589.611	5.195	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1	408745807	VSAZWEOISXPDHC-BWAHOGKJSA-N	526.036	7.271	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408746119	RBQDOYWONPWNSE-ZDLGFXPLSA-N	541.785	5.934	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)ccc1I	408746565	FGRDMMDJHOLVOY-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12	408759785	LNGZTFVCKNRJPD-CCOBIQQASA-N	713.638	6.574	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc2ccccc12	408762667	FQGZWERFXILHGF-BUVRLJJBSA-N	612.321	8.643	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2C)c1	408764188	QLUJAEDURCLECO-KGENOOAVSA-N	576.531	7.368	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccc(F)cc1	408772591	DGNATOHZQSSGFO-UNOMPAQXSA-N	571.390	5.630	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccc(F)cc1	408779679	HNIOEXDSDCDIRH-BKUYFWCQSA-N	570.402	6.516	50	40	KKGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	408781799	DSZFVISXXQNGAA-JFLMPSFJSA-N	504.439	5.462	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1	408791402	XDLHYERODBZUMG-CAOOACKPSA-N	686.569	7.903	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccc2ccccc2c1	408791754	BYQIMNFHFQQGRD-BUVRLJJBSA-N	604.444	6.976	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1C	408791802	CRLVWNWYKSOVNV-VXLYETTFSA-N	668.700	7.291	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1C	408791829	DCTNVDUIDOYRIR-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408792111	IAOLXFAUXBYTRM-DJKKODMXSA-N	515.824	7.397	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408793726	GIKBQPDBLRXOIA-BUVRLJJBSA-N	559.449	7.706	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1	408794013	RCKMTMPLLALDHZ-DEDYPNTBSA-N	586.813	6.246	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408794697	AWVVZPSOBYMZFQ-HYARGMPZSA-N	575.890	8.088	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1F	408795448	MIJSZIGTVJTBQP-WOJGMQOQSA-N	574.244	6.874	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408798339	WEQQHHYGAVEHTC-MHWRWJLKSA-N	518.194	6.586	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2I)c1	408799020	XSLIIQMKFDZUIR-VCHYOVAHSA-N	589.227	6.192	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408799489	ZGYBGLZXEUXSAH-KEBDBYFISA-N	529.851	7.787	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCc1ccc(I)cc1	408808794	FNCRRJPDQJAMIG-MTJSOVHGSA-N	694.307	6.105	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1	408815080	IEHQKTHRKILRNW-PQKVGRGHSA-N	604.537	9.256	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCc1cccc(C)c1	408817683	WUJLEYJLGHFSNX-QRVIBDJDSA-N	535.438	5.967	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)c(OC)cc1Cl	408821899	AFUNLVPOKDEHIU-WOJGMQOQSA-N	527.802	6.244	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OC(C)C	408826047	SOBXMMBDXNLKKM-LPYMAVHISA-N	582.438	6.520	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cccc(Cl)c2C)cc1	408828240	LQSOXQCYZBSCIU-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408829596	MYHOIXHJDVQBDU-CVKSISIWSA-N	631.954	8.432	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408832779	JAWROILRIDGJLX-YDZHTSKRSA-N	642.366	9.403	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5cccc(Cl)c5Cl)o4)cc3)cs2)cc1	408841679	GPQZLBOFWIWKRP-IBBHUPRXSA-N	547.467	8.193	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Br)cn34)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408842093	NZFNSYFZQGFPMN-CNCDYAKUSA-N	654.974	6.115	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Cl)cc1OC	408842341	JCNYLTNOEGUGHE-WKULSOCRSA-N	521.042	6.687	50	40	KKGB	
N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1	408842617	PAUIHWSVZCFGNH-ZHSUKTGHSA-N	614.447	6.811	50	40	KKGB	
CCOc1cc(OCC)c(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl	408844499	TXVFQQJGRLQJDX-KVSWJAHQSA-N	526.968	6.049	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408848174	QNNPMWYHZYRDEC-AUEPDCJTSA-N	544.652	6.382	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408849543	XFFFURGQUOLHGG-RQZCQDPDSA-N	519.787	7.309	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)NCc4ccccc4)c3C)sc3c2CCCC3)cc1	408849806	ZJXAUHWBJKTULT-ITYLOYPMSA-N	548.712	6.819	50	40	KKGB	
COc1c(I)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408853616	QKKXHFZLRSAIGE-WNFQYIGGSA-N	624.998	5.177	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)c1	408855682	GGBLKRDAHJWICE-JCMHNJIXSA-N	610.519	6.840	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2cc(Br)ccc2o1	408857580	VDQQUTXDOXXNRP-AQLQTECXSA-N	657.156	8.216	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1Cl	408859594	VLMBDRXDBWQDQB-NVJOKUIPSA-N	548.220	6.854	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408860811	FQOUFPKDTAWVLI-PUHLOBNQSA-N	642.402	8.297	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408861983	CEMQGZMUHQNUIP-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OCc1ccc(Br)cc1	408874319	BENWSSRKUATXSI-LPYMAVHISA-N	551.437	5.667	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408876155	NBDURZYWKZVSBF-MGFSJYMISA-N	565.262	5.975	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1Cc1ccccc1F	408876437	PDDMUNMUUHBIRE-YBFXNURJSA-N	574.821	6.927	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1	408880535	IDZFKNDHFYFPTB-XSFVSMFZSA-N	525.424	5.633	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccccc1F	408880673	HVFCVYLVSMGJQG-RPPGKUMJSA-N	583.195	5.544	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(C(=O)O)cc1	408890706	XXNIVWOXEVGZSG-VCHYOVAHSA-N	556.210	6.034	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408892606	CXXQIRIBMHNERR-STBIYBPSSA-N	515.492	6.397	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Br)c1OCc1cccc2ccccc12	408895375	MPCUYTBVQXPKJY-LPYMAVHISA-N	699.237	8.959	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)ccc1Br	408904040	CSNZFQLFMQWFBF-BCHBDCPOSA-N	551.224	6.497	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408921732	BNRSHVZTCXWQBG-WOJGMQOQSA-N	618.893	5.691	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1	408923519	JEHBIMBXZSKPQW-RQZCQDPDSA-N	511.893	5.529	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)cc1	408933526	BDJWQXHKDXTKGS-RSEYIHLLSA-N	651.836	8.817	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	408943716	ICZWFCAUIIBAMS-MHZLTWQESA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccc(Cl)cc1	408953633	XOQDXKNQYJGWRR-MHZLTWQESA-N	797.897	6.171	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408969020	FXHBSYHAOFRMDA-HNZKSSIESA-N	665.412	6.589	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OCC)c1OCc1ccccc1Cl	409012266	PVNWAMVQUKPZJE-VWJSQJICSA-N	693.763	7.923	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409036443	WEUAKOKQYQDPTB-FZKWRIDDSA-N	608.439	6.721	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccccc1	409040806	UPOCMBBKDZOVMW-GXBUFBABSA-N	580.482	7.406	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	409056498	GYVSRFUVGVOVLS-ATZGPIRCSA-N	600.499	6.053	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409121652	VICJIINUXWKQPB-ROPCREHHSA-N	678.982	6.625	50	40	KKGB	
CN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C2=C1CCCC2=O	409134284	NRTVTOAVTODLLO-OAQYLSRUSA-N	577.704	6.174	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Br)cc3)c(OCC)c2)cc1	409153183	LAVBUYKYHPGKRE-VTNSRFBWSA-N	737.389	5.738	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(C)c(Cl)c2)cc1	409185077	ROEKPJDJVIYACK-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4cccc5ccccc45)C(=O)[C@H]23)c1	409218481	IZQSJXPXKRZJQK-HJHSHKNESA-N	577.640	5.815	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c2)cc(OC)c1OC	409221757	AGUVIIVZRSJIHM-UHFFFAOYSA-N	701.324	6.066	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(C)=O	409222167	AMDLUWJPDUEOGN-OQAQTMNFSA-N	780.382	6.689	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409254211	WCJAQAGTPVUYHV-JCMHNJIXSA-N	536.003	5.551	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)cc1Cl	409265722	ODSSKTUNJKBEJN-LZYBPNLTSA-N	532.786	6.658	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)ccc1OC	409318932	YXOOMHNGSKQUJT-FDVSRXAVSA-N	592.405	5.579	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC	409323949	QIJWAKTVKUBFAX-ZMFRSBBQSA-N	589.355	5.238	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1OCc1ccccc1	409332806	MUINGLGYDQOLEB-OHUYPAJKSA-N	590.032	6.577	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)cc2Cl)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409367853	MREGLUNWHUEOLI-FTCYSYDXSA-N	587.356	6.567	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409371712	KXLXQAVKQQPFSE-IDUWFGFVSA-N	581.193	7.158	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409372118	SCVYJSIYTVIHPL-NVMNQCDNSA-N	557.300	5.759	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	409378026	LTECQHJIVAJVQF-DEDYPNTBSA-N	534.410	5.638	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F	409387777	QKMRTJXKKXZZDQ-ODQASSKESA-N	664.546	7.790	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409394610	CTELUBVPTHFCGQ-UHFFFAOYSA-N	675.288	8.906	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409394925	HQHFMFANVYVGPE-UHFFFAOYSA-N	713.741	7.864	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccccc1	409395333	MJASFXSOAVVZNJ-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)cc1	409395947	UIPUUYZVAIAWCL-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Br)cccc4c3-c3ccccc3)cc2OC)c1	409397746	NNXXLTLHEIMAEX-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409399247	YSDFFNHTCJZVDS-UHFFFAOYSA-N	588.447	7.142	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc(F)c4)c(Br)c3)o2)cc1	409402635	KIVBCZOBLUTYQZ-AEUUOICLSA-N	616.487	7.511	50	40	KKGB	
CC[Si](CC)(CC)c1ccccc1[C@@H](O)c1ccc2ccccc2c1-c1c(O)c(P(c2ccccc2)c2ccccc2)cc2ccccc12	675082954	OIIJIFPAMOAOKI-USYZEHPZSA-N	674.897	9.921	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OCC)c1	1529548582	JKHYSAPTMLHZIQ-IZQZZFRNSA-N	760.505	6.074	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3	1882213	VEHFOARGBWNJTK-KBVAKVRCSA-N	554.697	5.730	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1OC	1883850	AIUISHVJPNZIKR-OKCVXOCRSA-N	562.717	5.284	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccccc1Br	1901287	UEQPIKRAPLPIMW-MZJWZYIUSA-N	553.507	5.331	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(Br)cc1	3186218	LFALMNQZGGNYOJ-IFRROFPPSA-N	569.873	5.266	50	40	KKGB	
Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccccc3OCc3ccc(Cl)cc3)s2)cc1	8743045	GQHKOTJQSHXAQN-RWPZCVJISA-N	520.014	5.024	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	9311228	DBUPZSBDKJKGCB-REZTVBANSA-N	503.194	5.094	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3c[nH]c4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9763088	WCWMCNOICZSORO-CAQPMQTCSA-N	522.678	6.264	50	40	KKGB	
CCCCOc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)c1	49745549	CKISOJYDINOZGT-PMERELPUSA-N	552.700	6.572	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	59281405	ZLOWKPYBKWZUDR-CXUHLZMHSA-N	502.741	6.680	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1OCC	59858049	MHVKXBCDPPRIIG-WCMJOSRZSA-N	584.016	5.502	50	40	KKGB	
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(/C=C/c1ccc([N+](=O)[O-])cc1)=N/NC(=O)c1ccncc1	73257889	BLTDODXXLCRXRD-BVVZBFNZSA-N	611.687	7.122	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(Br)cc1OCc1ccc(Br)cc1	97960929	PMDBAHWHYKGJES-WCMJOSRZSA-N	611.334	6.971	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)cc1	97964239	BSYWYOXNILHRIK-CBMAIOFOSA-N	581.887	6.894	50	40	KKGB	
C/C(=N\NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2csc3ccccc23)cc1	97965846	YFGVZBZAMNKVJT-AMVVHIIESA-N	538.481	7.829	50	40	KKGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c2ccccc21	98008239	QBLRXENRDUYGCQ-SSEXGKCCSA-N	540.545	6.197	50	40	KKGB	
Cc1c(Br)c(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccccc1	100100289	PNDAIIKJMDEWBF-OCSSWDANSA-N	532.507	7.054	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100120464	RZUIJMWOOJNXHC-JEPNHJGPSA-N	574.556	6.483	50	40	KKGB	
COc1cc(/C=N\NC(=O)N/N=C\c2cc(OC)c(OCCC(C)C)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCCC(C)C	100329080	VJZQQQXBJAPHSG-FLZZTMJYSA-N	588.618	5.037	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1	100963912	VEBXEUWDHWHUHZ-SANMLTNESA-N	560.676	5.047	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1cccc2ccccc12	101710754	PPTZDXAWTGSQEG-PCLIKHOPSA-N	555.472	7.688	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])N1	102809919	SBTXKOIZWYLDHH-AREMUKBSSA-N	525.590	5.301	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	103883372	BOVDTMXZUTZYGY-BKUYFWCQSA-N	556.877	6.490	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1c(Cl)cccc1Cl	104953462	MGMWDFOSMOJZKC-XNTDXEJSSA-N	522.215	7.433	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2O)cc(Br)c1OCc1ccc(Br)cc1	112265017	MTUOHZRXMNYLKB-LGJNPRDNSA-N	548.231	5.659	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1)S(=O)(=O)c1ccccc1	150441577	QQJWARYQKIADSC-HNSNBQBZSA-N	640.003	6.636	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCC)c(I)c2)c(C#N)c1C	150625641	SSRVXOYDTVVYKF-MKMNVTDBSA-N	660.271	5.432	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795447	PVYVVFRAKOKZEL-CALCHBBNSA-N	928.303	13.382	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@H]([C@@H]1P(=O)(c1ccccc1)c1ccccc1)[C@@H]1C(c3ccccc3Cl)=NO[C@@H]21	169811334	YMVIZMMZCSLVDC-ZFVYVJHBSA-N	648.079	7.474	50	40	KKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	253514206	PODSSBXKTWSWQL-UNIHFKQUSA-N	510.923	10.360	50	40	KKGB	
O=S(=O)(C=NN=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1	301054446	OGOVHFWRLDBDFS-UHFFFAOYSA-N	520.594	6.248	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1	408537207	CUXOSPMKZLZZCQ-KOEQRZSOSA-N	601.472	7.691	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccccc1	408539009	DJRKTZHZEUUREJ-VHFSBPNMSA-N	583.006	7.679	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(F)cc1	408544498	UHLZTWUWIPIPLY-GRSHGNNSSA-N	529.305	5.780	50	40	KKGB	
O=C(COc1c(Br)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1Br)Nc1ccc(Cl)c(Cl)c1	408552444	POJZAOLLMUHNTN-NNOOIMGWSA-N	668.091	7.319	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1	408608262	GZMWCAAKTZKHCU-XAZZYMPDSA-N	532.855	6.116	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408660113	WHZGFNIKVOWCFC-ALGSGBDSSA-N	704.755	5.170	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408673852	XVAITYVBAROLTR-SJQORLFUSA-N	638.740	5.033	50	40	KKGB	
CCCC[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408688094	PWYTZSJIIIOZTO-LBPRGKRZSA-N	654.128	5.222	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1Cl	408734159	DZZKVOGJSNXJAZ-XDHOZWIPSA-N	504.815	6.960	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408744004	JCQXKHXNTNRXLI-MFOYZWKCSA-N	536.242	7.824	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408747504	OXSHWZOIQBFENZ-OJYCWLPVSA-N	644.363	7.330	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408760113	RSCRZFLAELBJLS-MWBNBJEGSA-N	572.543	7.731	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2I)cc1	408762002	IYHBQWJXURVLLZ-ATVHPVEESA-N	623.266	5.676	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCc1ccc(Br)cc1	408772447	LRTNEHXVCMAEBO-YNFMAFFXSA-N	647.229	6.814	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408820093	TXABGNILDJKJEC-HNSNBQBZSA-N	549.454	6.357	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl	408825305	JNLSXBJGZAURCV-BUVRLJJBSA-N	607.921	8.749	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(F)cc3)o2)cc1	408835335	WNYXKYUQBRMBIV-CNCDYAKUSA-N	617.486	5.514	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408836763	VGHNCNUINBMMDJ-CNCDYAKUSA-N	633.941	6.028	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408838680	ZFSZUJBPMOLHHA-BBUXEPKYSA-N	784.154	6.736	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408839327	QRFFVMDIJNWVLG-QNVXDBMFSA-N	689.558	8.566	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccccc1F	408841241	DRTNYLAMTBERKG-XJECJHNESA-N	645.554	8.115	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccccc1	408843654	MPEKVACLGIEUNR-KVAAJVFYSA-N	647.982	8.321	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408858571	QJPFDYXDECEBBB-BWAHOGKJSA-N	668.599	6.569	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1	408862510	KQTYGMUXSXHZJB-UHFFFAOYSA-N	566.167	7.366	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc12	408865464	CMEGUKYIEDPFCC-OCSSWDANSA-N	609.420	6.023	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)c(OC)c1	408867671	LFLSBDRNIWDACW-UFWORHAWSA-N	606.300	6.584	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3F)c(OC)c2)cc1	408869860	UKAWUJNUIKEYEX-UDWIEESQSA-N	540.376	6.138	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	408870634	WHOJCEJWPJHFEX-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1Cc1ccccc1F	408874414	BFBYIEIHZVKRHI-RGVLZGJSSA-N	540.376	6.192	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1	408887428	OHWDDUTWGIVAJJ-MHWRWJLKSA-N	610.711	6.487	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Cl	408896061	MQICXCZRVKGGQF-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408896107	MWRLSNWWHMJXIH-KKMKTNMSSA-N	566.677	6.525	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCc1cccc2ccccc12	408914685	XFADLQHJSJTJJT-QNKGDIEWSA-N	510.634	6.608	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408972360	RVYSIAABZOHIEX-POPVJJPVSA-N	664.368	5.844	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1	408973533	TYFLBEMTNJLIHK-BLAPNLFKSA-N	615.517	6.089	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(Cl)c(Cl)c1	408998204	IJNUKBZJWYSQFE-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN(c1ccccc1)c1ccccc1)OCc1ccccc1	409001772	KFUUMDAWJICSJR-LJAQVGFWSA-N	504.590	5.875	50	40	KKGB	
COCc1cc(C)nc(SCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(OC)c2)c1C#N	409008561	XXHFSQRTEWVLRN-UUSDDZCZSA-N	667.832	6.144	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409017700	GPWKVMOEPNPXPY-PPDIBHTLSA-N	558.772	6.108	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409019406	IXDZBQRCEOTGLH-IPBVOBEMSA-N	729.119	6.822	50	40	KKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	409019790	XESFUJNIEMNDIJ-ZWBVTULPSA-N	503.430	5.232	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1C	409028385	MTCOWQFBRNJWDD-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-]	409033529	FJZSBLVWVOBATR-FABQOPTDSA-N	606.436	6.787	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409039798	DPIWNVQBQTZYBK-KVSWJAHQSA-N	628.692	5.857	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)Cc2c(Cl)cccc2Cl)cc1	409061936	KEEFFYAIKMLNFU-FJEPWZHXSA-N	556.471	5.502	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409064580	HNPNQXDRUFOYJN-XSFVSMFZSA-N	510.955	5.817	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409077950	GOMADPXJZOSHIQ-OVCLIPMQSA-N	553.871	5.801	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)c1C#N	409087375	TXPQSXPUXYSLBU-PBEOLHQGSA-N	682.369	6.203	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)C2=C1CC(C)(C)CC2=O	409134670	STLNVAQDLIPALH-SANMLTNESA-N	584.486	5.558	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409138428	BOQRAAIGTRQOEU-XMMPIXPASA-N	649.811	6.827	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	409185184	TYVDENOJUZKTOR-MWBNBJEGSA-N	645.059	5.722	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Br)cc1	409222906	FLLQZYFMWDDUMH-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1	409262482	FIOMLTBSIWBGGW-NDENLUEZSA-N	564.436	5.646	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccccc3C)c(OC)c2)ccc1OCc1ccccc1	409273024	UWBBNEAXMLEUDM-KMUKQRDJSA-N	693.538	6.367	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c1	409273255	WQDRIUMFXYMZLZ-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2OC(C)=O)cc1C(C)C	409282945	HYDDAMFTLWMJPY-UHFFFAOYSA-N	528.565	5.610	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1OCC	409311225	YRYFZAXMAYOMCS-OHUYPAJKSA-N	549.454	7.453	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1OC	409313994	DOTPEGZUCGCEAE-WKIKZPBSSA-N	591.256	5.010	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1OC	409316333	XHVSXJHJGHVRAU-NUJZUDFISA-N	519.812	6.563	50	40	KKGB	
O=C(N[C@@H](Cc1ccc(OC(=O)OCc2ccccc2)cc1)C(=O)NN(c1ccccc1)c1ccccc1)OCc1ccccc1	409337265	SYNKZXCCCSBWAW-UMSFTDKQSA-N	615.686	7.109	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Br)cc1	409371797	ICSNPQQYFYVDBL-VYYCAZPPSA-N	546.805	5.681	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409371875	AYYAEZMNBGUGGD-FDVSRXAVSA-N	597.263	6.545	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)c2cccc(F)c2)cc1I	409392913	OHYRCJQPEQJEHV-AUWJEWJLSA-N	529.090	5.111	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409394896	HDZJBKKSKXUOGL-UHFFFAOYSA-N	755.847	8.331	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)c1	409395066	JKUMNOMBINFTNO-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395106	JZQVLQDIUSMDAM-UHFFFAOYSA-N	739.804	7.930	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(OC)cc3)[nH]c12	409395580	PJLMLGMNHNTWHI-UHFFFAOYSA-N	630.926	7.805	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409395957	ULYJFCNPRXTZBY-UHFFFAOYSA-N	733.187	8.492	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccccc1Cl	409396549	YZIMXJGFRZQZMW-UHFFFAOYSA-N	765.083	9.412	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409398207	RSGUYQCXSAKGIV-UHFFFAOYSA-N	606.398	7.599	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc5c(c4)OCO5)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409398724	VKOXUFQTTQXRCZ-UHFFFAOYSA-N	626.065	6.998	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1	409399012	XIUMSGBBDLNHPS-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
CCCCC[C@H](/C=C/C=C\CCCCCCCC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1)OO	2061000795	GXHCTYFXBSGOGT-BXDILGETSA-N	681.099	13.221	50	40	KKGB	
CC(/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)=C\c1ccco1	1782970	HRNWYFNKAXCIHC-AHHMAYOVSA-N	513.667	6.431	50	40	KKGB	
CC(C)(C)c1cc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)n(-c2ccccc2)n1	1885840	HOEVWECELOFKMA-WYMPLXKRSA-N	520.225	5.164	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)/C(=C/C(C)=C/c1ccccc1)NC(=O)c1ccccc1	2079869	WEQOPTQUXTVPIT-ZEZRRWBQSA-N	503.602	6.106	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	3143031	WPJUJPNQBQHFOS-NDZAJKAJSA-N	534.037	5.265	50	40	KKGB	
Cc1ccc(-[n+]2c(/C=N/c3ccc(N(CCCl)CCCl)cc3)ccc3c4ccccc4ccc32)cc1	3168018	NERCVZQJPKJZDR-UHFFFAOYSA-N	513.492	7.613	50	40	KKGB	
COc1cc(/C=C\C(=N/NC(=O)c2ccccc2)c2sc(Nc3ccc(Cl)c(Cl)c3)nc2C)ccc1O	5808766	ZATAOEBGRWUVMS-ZESJJLSYSA-N	553.471	7.064	50	40	KKGB	
CCCOc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)cc2)c1	6167565	FPPGUHXUXSHKHT-IBCIRKJSSA-N	591.730	6.008	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C	8452604	SQJNFTLEALAWGI-VVEOGCPPSA-N	601.885	5.143	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1cccc2ccccc12	20195229	YTIYAOVSCQDUAM-KCSSXMTESA-N	501.026	6.781	50	40	KKGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	20214609	FOVWBNUPKNHYNR-JFLMPSFJSA-N	520.438	5.126	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4)c3C)cc2)S(C)(=O)=O)cc1C	58915372	LASKSZVGMVDVCC-ZCTHSVRISA-N	528.678	5.441	50	40	KKGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1	59885677	ZYKDPQWLKIFQMW-FKBXNUFCSA-N	545.661	5.122	50	40	KKGB	
C/C(=C(/CCOC(=O)c1ccccc1)SS/C(CCOC(=O)c1ccccc1)=C(\C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N	95549836	IWXAZSAGYJHXPX-BCEWYCLDSA-N	770.938	6.003	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)cc2c1	97960974	XOJZUJMDVAPWMP-XAZZYMPDSA-N	561.849	7.533	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(C#N)\C(O)=N\c3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1	97968650	GLPFJGDXKDLNCE-FYAMCCBRSA-N	576.472	6.340	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)c2C)cc1	100123766	PHWFAGQDJIZGJW-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100127521	MTQABTZCWKBNTA-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	100405705	IVNPHNWSXIZDSA-FABQOPTDSA-N	602.034	6.283	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)ccc3F)nnc2-c2ccccc2)cc1	100859094	XWQVWNIVSDRXDL-MZJWZYIUSA-N	540.418	5.087	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N1	101555248	SBAINXLZRHSUQM-MUUNZHRXSA-N	558.103	6.768	50	40	KKGB	
O=C(Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1)c1ccc(Cl)cc1Cl	102067311	BIWHUKNORLSMJV-JMCDZUJHSA-N	588.079	5.495	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)N=C3CCCC(O)=C32)ccc1O	102601184	ZLICSHZPLAAXER-QHCPKHFHSA-N	530.433	6.349	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1	102806877	DDDLPZMOAUORSS-YTTGMZPUSA-N	591.136	7.773	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1	102933495	NXISHLKYTVNHOY-RQZCQDPDSA-N	571.327	5.038	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1Br	103787427	HNANERFAYMUUBZ-NSKAYECMSA-N	554.348	5.020	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc2c(c1)OCO2	103888324	OCZVXVXAULBRMF-JMIUGGIZSA-N	582.394	5.852	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103896379	MQFPUSYHHYQSQX-VPUKRXIYSA-N	602.765	7.380	50	40	KKGB	
COc1ccc(CSCC(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)cc1	104698931	MWOFMEGGTCXKBF-AWDVUOBXSA-N	532.109	6.949	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CSCc5ccccc5)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709492	ZHCLOSKNAHFGTC-UGJIEHOPSA-N	603.788	8.118	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	112255906	ATUYHLTVJFRDOT-OPEKNORGSA-N	579.201	5.177	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	162478543	GZYXBZIZHCZXAR-MWBNBJEGSA-N	701.039	6.661	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)c(C)c1	216038895	DAALQCXOGQVEEO-VYYCAZPPSA-N	530.260	6.100	50	40	KKGB	
Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3cc(N=Nc4ccc(S(=O)(=O)Nc5nnc(C)s5)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3OC(=O)C(Cl)Cl)cc2)s1	263597976	HJXALNVVBHBMEA-UHFFFAOYSA-N	943.686	9.043	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1	408539738	JQCQASNOTDCZSG-FZPRHHONSA-N	565.453	6.933	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc2ccccc2c1	408542411	JEZRUCLATXGMFP-CFRMEGHHSA-N	571.427	6.824	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	408554307	RMVRPFMIKGOLJZ-QMRORBIVSA-N	626.924	7.406	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccccc1Cl	408566881	BGLCHWMPMVLWSC-IPPBACCNSA-N	607.979	6.698	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408570603	XCWCVRWJZCMDRC-VFLNYLIXSA-N	750.849	7.136	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2ccc(Cl)cc2Cl)c1	408580926	SMBHPTVAQKIMKN-LICLKQGHSA-N	516.222	7.146	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	408611411	QVZGPXGQGLRLHM-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408614900	JMHXWYJKELOPNM-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408637553	AHRXVUZDMQIEJO-HNNXBMFYSA-N	647.657	6.881	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408643618	PWLJCNMJXAEJRX-KIHHCIJBSA-N	782.225	6.283	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408653141	DVVBJQNNRVGXGZ-XLSIIYIISA-N	652.767	5.342	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1Cc1ccc(Br)cc1	408712037	WVNURMONHRGFLE-MZJWZYIUSA-N	572.244	6.129	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(I)cc1	408712055	XPSAGQZRQUPVNN-RWPZCVJISA-N	540.788	6.441	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408724699	DOGJOXGHIPGYGS-MTJSOVHGSA-N	550.409	6.498	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408744414	FNBFFKHLDLJVJU-YVLHZVERSA-N	546.646	6.990	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408745022	OUCFQRVQTRABAJ-ZSOIEALJSA-N	618.194	6.375	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1	408760492	ZPGUWFRGEVANEA-PDGQHHTCSA-N	531.417	6.014	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408760524	AEFQEIMPXVDCTM-LQKURTRISA-N	553.434	5.451	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408763694	UHSPLDJGEYMNRM-OEAKJJBVSA-N	638.483	6.465	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1C	408766677	DTHUZJUZQNLUEE-BKUYFWCQSA-N	509.391	6.170	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408782554	KBKSJILJCMHVCC-IPPBACCNSA-N	523.964	5.321	50	40	KKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C	408785071	XJHABORURAUZRO-DBFSUHOCSA-N	525.700	7.571	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccccc1Cl	408793462	FAEXRKHTXVWEKD-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccccc1C#N	408795621	MLJPHWFXMOPHLV-FSJBWODESA-N	530.422	6.461	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1	408807117	CBQMNUMVRHLBDI-CLHYIUPASA-N	577.515	8.526	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OC(C)C	408812040	LADVVNAIRVCMFU-CXUHLZMHSA-N	524.786	5.985	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408821297	FVRFJXSSTGYGSJ-WGOQTCKBSA-N	613.928	9.504	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1	408831699	VAPSZGZBDBLBGZ-CCVNUDIWSA-N	509.937	5.013	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1	408833904	WPTRDMGTLQKNFA-FNTLCPBMSA-N	683.186	6.526	50	40	KKGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1Cl	408836073	ZAVJBLSYNDTIRE-UHIZKJEFSA-N	663.967	6.037	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)O	408838439	FIZHCILLSAFQJU-CCVNUDIWSA-N	516.579	5.098	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccc(C)cc1	408840157	YAKAAVLMCKFCHF-FABQOPTDSA-N	590.463	6.936	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408841308	FGTFYPYNTHOFQC-KPGMTVGESA-N	655.730	7.100	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccccc1C#N	408842005	HSIWYPHEIVVEQA-SAEPALGJSA-N	666.601	8.238	50	40	KKGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	408843984	GJFRGLLLQBDQFU-UVTDQMKNSA-N	554.344	5.085	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccco2)cc1	408847725	UFWZHIONXLXKAJ-OKCVXOCRSA-N	543.988	6.383	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408849035	YLEYPYKAPXQHED-FJEPWZHXSA-N	565.051	5.922	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408860146	WGSLNKRJPMZHLR-XZYGTATASA-N	701.039	6.743	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	408861438	AKFQFQOPKSDADZ-BIZUNTBRSA-N	638.540	5.391	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	408875139	GFHGWFYZVAQDGC-CCVNUDIWSA-N	535.497	5.441	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408876151	NBDURZYWKZVSBF-AIWXBOCESA-N	565.262	5.975	50	40	KKGB	
Cc1cccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c1	408880177	DUQHGJVTGPTJPS-FDVSRXAVSA-N	646.266	6.700	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2Cl)cc1	408887985	VYNBGKQJKNUQOH-GZTJUZNOSA-N	558.759	5.718	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OC(=O)c1ccccc1	408891221	NCLGAAWPEBTJSZ-MZJWZYIUSA-N	554.422	5.451	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1	408896203	QFWSVQFTIRJYJE-XSFVSMFZSA-N	541.025	5.759	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1	408921330	AKBOZDUZBIXNJH-HMMYKYKNSA-N	594.430	6.066	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C#N)cc2)c(OCC)c1	408944948	JWUWLOMCKNBHSV-SSEXGKCCSA-N	706.619	5.183	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408954295	NHHDWNGUXKCJIC-YGRSAPSUSA-N	725.626	6.428	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(OC)c1	408954989	NZZJOBSTYRZZHB-LUZLDADYSA-N	657.123	5.801	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(OC)c1	408954992	NZZJOBSTYRZZHB-XGBIICRQSA-N	657.123	5.801	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1C#N	408970906	AJIHHQSNDWUMEU-OEXMMSPFSA-N	738.466	7.250	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OCC)c1)c1ccccc1	408978645	JOKPRNIGMPCSIQ-YKDKEXQMSA-N	524.017	5.645	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408991558	QIXAUDNUNRHXPZ-HYARGMPZSA-N	517.969	6.418	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408994510	GKHHDMXDSPUTES-AUWJEWJLSA-N	680.007	8.958	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2OC)cc1	409028980	WGRMLPBCUQOLOH-BIZUNTBRSA-N	594.089	5.282	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409049834	XXDXYJRBTZCLQH-XDHOZWIPSA-N	567.383	5.171	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409066669	BEYDXYSERFIPEB-LDADJPATSA-N	531.417	6.014	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c(Br)cc1OCc1ccccc1F	409076467	APNNLSYVMYXUMZ-KBKYJPHKSA-N	552.194	5.408	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1	409077911	BGAWAURJRCCKIS-RIYZIHGNSA-N	566.717	7.367	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409083019	KJRUAIXGOFOKGH-OQLLNIDSSA-N	528.399	5.868	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409090800	OTQRCLHAVNLOSW-XSFVSMFZSA-N	514.494	5.968	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409102575	BDPQWJMXWCZVPU-HSZRJFAPSA-N	576.230	6.290	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1	409127267	QLAIJFNUUOPGJX-OVVQPSECSA-N	548.890	5.455	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1	409140111	CWRZESJCTJDBBZ-HSZRJFAPSA-N	508.416	5.157	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1	409166970	GJBAXKBVWDZQRP-OKCVXOCRSA-N	557.434	5.279	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(I)cc4)c(OC)c3)cc2c1	409187408	QBXWSKGHONUKCR-NUJZUDFISA-N	649.279	6.550	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)NC1CCCC1	409190366	XSEOPDHJEOTMJS-NDENLUEZSA-N	648.282	6.594	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	409219161	JUSIZYWROLVPCY-MNBJERMJSA-N	527.964	5.584	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12)c1ccc(Cl)cc1	409219846	QVKNIPIWEGSPHW-NSXLFHFSSA-N	549.989	5.446	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1	409220135	URSWOEKAMSBIRZ-UHFFFAOYSA-N	685.756	7.109	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409225964	RSTIODRGWNFDCO-UHFFFAOYSA-N	576.392	5.958	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)C(=O)NCCCc1ccccc1	409228763	DSLSPTDJULSMLM-KQWNVCNZSA-N	522.386	5.526	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)NCCCc1ccccc1	409251830	QJWHOBUISWUGSB-BKUYFWCQSA-N	666.272	6.270	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409254918	YKQSOARZZKSTTI-CIAFOILYSA-N	595.437	5.788	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409257720	RYVPGRSIEUWFIS-GIJQJNRQSA-N	556.800	6.409	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409261286	CHSFQXGILSQVPC-YSYOEVFLSA-N	719.061	8.376	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)c(C)c1	409266757	RCDGCAOUCZOXJF-VCHYOVAHSA-N	617.725	7.045	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1	409268605	WMNDXDKTBWKFBK-ZRGSRPPYSA-N	590.228	5.210	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2C)cc1	409268748	YPCYMDSEOGFPPI-MOSHPQCFSA-N	504.384	5.629	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)ccc1OC	409305338	VRZBPESDBMSYMK-UHBFCERESA-N	584.467	5.345	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(C)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409311267	ZAOHADNSUPPKPX-FGZHOGPDSA-N	576.502	5.427	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Br)c2)Cc2ccc(Cl)cc2)c(C)c1	409370234	NIQYQUKCWSLLFG-MUXKCCDJSA-N	562.917	5.369	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccccc1F	409371817	PHGGGYRJMLFZPP-YVLHZVERSA-N	503.286	6.221	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1	409372788	KLJHTVYTJOWFDI-AMVVHIIESA-N	788.161	7.005	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1	409373082	QRZHHBMQEFVNDF-VYYCAZPPSA-N	546.805	5.681	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)cc1	409382780	OWPHRFGGPFJERA-QGOAFFKASA-N	506.356	5.021	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409384954	HCNPEZQDAFEHKI-IPBVOBEMSA-N	609.285	7.230	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387884	XVSPIDBYOQBWGJ-LUOAPIJWSA-N	701.255	6.501	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409392984	UNZHDWYBBNWIAH-JJKQSNDFSA-N	730.171	7.497	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccccc1Cl	409395092	JUJVTJBYZAHBMW-UHFFFAOYSA-N	765.083	9.412	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)[nH]c12	409395157	KLXPALJCDJHGGC-UHFFFAOYSA-N	542.389	6.482	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3Cl)c2c1	409395241	LKPWCGFPSLCDMF-UHFFFAOYSA-N	582.016	6.446	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397189	HFSKILZCVKULJS-UHFFFAOYSA-N	627.311	8.440	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1O[C@H](C)C(=O)O	409403403	MPKHGAXVPFEUIC-IUIVBBIGSA-N	585.657	6.009	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccccc1F	409403855	OIRACFLBFNWAMZ-WBIBEUCMSA-N	626.641	7.055	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)o2)cc1	409408675	KNPCHFKTYZYLNP-QSIIKIROSA-N	639.064	7.210	50	40	KKGB	
N#CC1=C(S)N[C@@](O)(C23CC4CC(CC(C4)C2)C3)[C@H]([n+]2ccc3ccccc3c2)[C@H]1c1cccc(Br)c1	604418477	WILQYOYRSQXGCH-QMVQQEGYSA-O	573.580	6.388	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(C)c2)c(OCC)c1	1529549425	YQORNZABBJQTBO-XQTSXZJRSA-N	651.185	5.511	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)sc2c1CC[C@@H](C)C2	1829580	MBORIWWEWWWVIQ-OVGFGYAMSA-N	539.451	6.618	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)Nc2ccccc2OC)c1C	1872512	USKRHTKWKYTENF-JXAWBTAJSA-N	562.648	6.733	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](NC(=O)Cc2cccs2)C(C)C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	2057380	JVVXPNPRHQEFJJ-XBLJSKHHSA-N	555.531	6.200	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CC[C@H](C)C2	2345637	BGBCQNKOHXJIGZ-AYYGCFCKSA-N	539.997	6.417	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	2670844	ASJZSYATOYBJNS-OVCLIPMQSA-N	559.818	7.408	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2c[nH]c3ccccc23)n1-c1ccccc1	2738844	SHNYAPOUQCDBJJ-OESOLJMPSA-N	544.084	5.953	50	40	KKGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)COc3ccc(Br)cc3)ccc21	6135653	COPORRIJVGXEMC-STBIYBPSSA-N	521.415	5.477	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccc(C)cc1	6166452	KGVWEHCSAUOINB-CTJNOVCISA-N	544.677	5.190	50	40	KKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@H]1c1cc(Br)c(O)c(Br)c1	8410764	GYKJRSCELCOELP-FQEVSTJZSA-N	570.285	6.573	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl	8452568	LNOJPAKBDROQDG-UVHMKAGCSA-N	585.307	5.106	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1cccc(Br)c1	9432112	HDQCHUIDTFCZNF-OVVQPSECSA-N	526.504	6.154	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3)n2-c2ccc(OC)cc2)cc1	9763051	GKCHBRJHVIFARO-QRQIAZFYSA-N	522.030	5.237	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccc(Cl)cc2)cc1	13894828	ZTNCKHJGTRAIOG-UHFFFAOYSA-N	506.068	5.252	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccc(C)cc2)cc1	19956825	BCSQARLQINPLDQ-MTDXEUNCSA-N	503.649	5.216	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=C2CCCCC2)cc1)S(=O)(=O)c1ccccc1	19956891	PATUBJQFFKNYTD-UHFFFAOYSA-N	510.059	6.094	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	98000009	KUPJAJOVFNUACF-MHZLTWQESA-N	573.516	6.464	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	100123896	YEXOUMNQRPJXEB-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F	100125569	QLCKXTOWEXYIKY-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(C)cc2)cc1	100242877	GKIPKLBZOWDBGU-FMFFXOCNSA-N	572.731	5.764	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	100988439	MQUPOOJTAVIENK-WTALZMIHSA-N	573.299	6.821	50	40	KKGB	
Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Br)cc2)C1=O	100989487	OGNORGYGGMXMBZ-YDYXIROLSA-N	552.881	6.476	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1	100990725	FBSUKAISYXNKLX-OGCOBRASSA-N	522.457	6.045	50	40	KKGB	
C[C@@H]1[C@@H](c2ccccc2)N1P(I)(c1ccccc1)(c1ccccc1)c1ccccc1	104127952	KDYIGQMLDMMTBN-RKDLXEGRSA-N	521.382	6.227	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	105475550	YSAGNAINWQZQCY-WYMPLXKRSA-N	539.551	5.156	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccncc5)(c5ccccc54)[C@@H]3C2=O)cc1Cl	112255803	VYLGIMAUCHKRAF-NSXLFHFSSA-N	547.014	5.010	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	150464261	KDPXULSLPKQJSW-DPNNOFEESA-N	637.114	5.798	50	40	KKGB	
N#Cc1ccc([C@H](Cl)[C@H](Cl)c2cccc([C@@H](Cl)[C@@H](Cl)c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	226333295	TYWNYRTWAKWVCN-LWSSLDFYSA-N	564.212	7.766	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	253531126	ZODHPXNJFNZLJV-KBCHVHTQSA-N	597.722	9.946	50	40	KKGB	biogenic
COc1ccc(/C=C2/C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)/C(C#N)=C(/C)N)cc1	254800589	WILCZCMGHLBOOA-HWGYYPMSSA-N	523.633	5.875	50	40	KKGB	
Cc1nc(-c2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cs1	408553216	MULIPFMOJSLNNH-FTCYSYDXSA-N	573.889	6.860	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408570761	YFPZOMNVDAWGSR-SXGWCWSVSA-N	600.363	5.926	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408672555	NSXQCOLTQUUNMV-NCOADZHNSA-N	554.666	5.327	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccccc1	408676124	FQZDRNKUURIPMU-RDRPBHBLSA-N	569.443	5.633	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(I)cc1	408710711	GYLKLNJYGREMKK-UVHMKAGCSA-N	552.771	5.825	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	408727306	ZOXHZTSWFORINL-MOSHPQCFSA-N	613.408	6.121	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1cccc2ccccc12	408745305	LHBRIYMQKOXGLZ-BKUYFWCQSA-N	594.836	7.231	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408746000	QBUNEWCOECNMST-YVLHZVERSA-N	681.224	5.937	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(C)cc1	408746982	IYHLJEYLVMFLPC-UUYOSTAYSA-N	538.385	5.411	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2C)cc1	408752746	GNNXDGXKGFGLRF-JCMHNJIXSA-N	560.532	7.668	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c1	408753656	KDEAKWGEDWEJIP-LPYMAVHISA-N	590.417	6.586	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(I)c1OCc1cccc2ccccc12	408759674	JJSUFESUEGOBPR-WCMJOSRZSA-N	636.515	6.541	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)cc2Br)cc1	408759796	LSRPIERANFHSLF-CCVNUDIWSA-N	555.372	5.237	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc2ccccc2c1	408761405	JWLOBSAJBUTNBT-WGOQTCKBSA-N	533.425	7.880	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408767659	ZOAAWMLJHDINDB-PXNMLYILSA-N	628.091	7.485	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)c1	408768631	IASVJIXZULEJCC-ZHZULCJRSA-N	503.624	5.765	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1	408784296	APBBEEXKSLLTAL-DHDCSXOGSA-N	536.293	7.567	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1	408788647	LVQNLSJHRHYGAT-RGVLZGJSSA-N	509.375	6.284	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1ccccc1C#N	408791766	CCFNTYGCNJZIKF-YDZHTSKRSA-N	530.422	6.407	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408794888	KHHFUFZDYCTANQ-YBFXNURJSA-N	613.364	5.119	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1	408797042	QTGWOAXKHMTGMD-OEAKJJBVSA-N	637.315	7.894	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408816479	URTVLVOAUUOPCB-OGLMXYFKSA-N	611.536	8.168	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1	408818017	MNRRAMYWFDEEIJ-DXJNIWACSA-N	504.546	6.693	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408830557	PQWWXXGBOKUESX-OVVQPSECSA-N	668.385	9.068	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408835759	YAEHKOOOLNOEIP-WPWMEQJKSA-N	714.987	9.119	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(C(=O)O)cc5)c(Cl)c4)cc3)cs2)cc1	408838966	KXKZYJVERSHCIO-KVAAJVFYSA-N	597.096	7.557	50	40	KKGB	
Cc1c(Br)c(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1ccc(Br)cc1	408846713	ROZWGAZWNNUIKH-RMUJHYDFSA-N	564.285	5.827	50	40	KKGB	
CCOc1cc(OCC)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl	408849415	YILPJKXMNOYVBW-FJEPWZHXSA-N	555.487	7.422	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(F)cc1	408851075	HIWIWKCTRMVEHR-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc2ccccc2c1	408853755	RGLYDKXWUAEUOM-ZMGVVAQMSA-N	622.313	7.853	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408855762	DFQDOGJKIDPKTM-UXHLAJHPSA-N	623.485	5.282	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408860413	VBUOVHPUTFOIHT-VFLNYLIXSA-N	629.360	5.568	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(F)cc2)cc1	408868039	LECOYGJNCYJZBL-KPGMTVGESA-N	587.504	6.194	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3cccc(Cl)c3)cc2I)cc1	408878581	ASAVBETXPFBBHY-RPPGKUMJSA-N	630.651	6.201	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OC(=O)c1ccc(OC)cc1	408880777	KUPPGCVRFUMHLI-XDHOZWIPSA-N	612.376	5.162	50	40	KKGB	
N#C/C(=C\c1c(Cc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408883432	UOGWUABZBFASQL-XSFVSMFZSA-N	536.256	8.046	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(I)c1	408885708	FGKSWJPUKQIAAI-LDADJPATSA-N	514.750	6.069	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccc(Br)cc1	408892067	AMYNUTKIMSBBPI-DEDYPNTBSA-N	525.830	6.934	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408897126	VXUQRNOVUJQLQX-MZJWZYIUSA-N	531.790	5.493	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(C)c1	408925953	VFWKRCJEJABHQT-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)OCC)cc2)c(OCC)c1	408941602	DYDHBARYSCQDED-HKBQPEDESA-N	709.221	5.379	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12	408953833	YIGKUXJAQHMQQX-YTTGMZPUSA-N	677.610	6.611	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Cl)c1OCCOc1ccc(Br)cc1	408970996	CHSKSVOTBPANAK-JVWAILMASA-N	532.822	6.115	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408974127	XMIDYPDUFMHPLG-VXCBBSPCSA-N	685.446	7.937	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OC)c1OCc1cccc(F)c1	409010349	JZANTNNUWCYNAY-XAZZYMPDSA-N	663.281	7.019	50	40	KKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	409029581	AWXGUASWLYYEFN-BIZUNTBRSA-N	520.658	7.568	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)c1C	409041135	IMSRDQOJUUNUAO-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@H]23)c1	409042960	LXAGOJIVXUUDSP-PKXDCDSOSA-N	607.022	5.223	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1cccc([N+](=O)[O-])c1	409048319	WEJCYZNUNYJGQS-UCMJSZAQSA-N	546.583	6.552	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	409057964	NHFPKKMLAFKCPR-RWPZCVJISA-N	534.465	5.042	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409083676	UEJSYAKAAQZAIY-CPNJWEJPSA-N	555.484	7.218	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409088500	FTNQRGKYOKFDPI-OVCLIPMQSA-N	610.770	7.766	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)c2cccc(Cl)c2)cc1	409111448	CIDLLNLYSQTVRN-WKULSOCRSA-N	557.459	5.204	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c2cccc(Cl)c2)cc1	409129364	JKDYRLNKWSCGIP-DPNNOFEESA-N	628.534	5.935	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)N[C@@H](C)c4ccccc4)cc3)cc2)S(C)(=O)=O)cc1C	409183247	AAMMXPHMCKLWIS-UWHHFHLBSA-N	612.752	5.290	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)n1	409251363	PPZJVDDKPHGXCK-VFLNYLIXSA-N	525.461	6.375	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409271330	UWEYLMAOUIVEMM-KULFSUQXSA-N	705.034	8.068	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OCC	409315013	UIJRMJUQPAQDLV-CAQPMQTCSA-N	659.521	5.967	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	409318814	ZTZFSYPIMMVRQB-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1OC	409322280	ISVBDIXBEFRIPS-MBTHVWNTSA-N	539.382	5.064	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1OCC	409324542	TYBFNTLUBJXIAA-FDVSRXAVSA-N	592.405	5.579	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1OC	409363069	KVRXVRRYPZNKHD-VYYCAZPPSA-N	562.258	5.501	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	409365419	ZMFIZFXBPNEVFX-WCMJOSRZSA-N	511.423	6.168	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC	409371379	IEMYIMZPMOIKBO-UHBFCERESA-N	558.100	5.014	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC	409371391	ILICRDPFXMUHPN-CPDSRJINSA-N	578.518	5.277	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccccc1Cl	409371881	BCWGFBNPNGZGTJ-FJEPWZHXSA-N	553.840	6.616	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccco1	409395461	NWSLGXKQQRRQTD-UHFFFAOYSA-N	625.248	7.075	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409396533	YWGNWMVUPVGSAY-UHFFFAOYSA-N	744.749	8.887	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cc(Br)cc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409397724	NGANXMMRPITBQT-UHFFFAOYSA-N	725.379	7.830	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)[nH]c12	409397957	PTMBPADOZMEPCN-UHFFFAOYSA-N	586.475	7.696	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	409398556	ULSUARAPZFQQMU-UHFFFAOYSA-N	555.556	7.454	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409398628	UXGFZDORQJSERE-UHFFFAOYSA-N	566.057	7.487	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409398998	XHCPJMRLVBPHJI-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3cccc4ccccc34)o2)cc1	409402332	JUKKOUDFFWVZNW-GLJXUZQSSA-N	604.106	8.416	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C#N)cc4)c3C)o2)cc1	409406238	AXTXYSZYACSORW-FZKWRIDDSA-N	531.616	6.309	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1OCc1cccc2ccccc12	1529548729	MWBFGHFVVFFFAM-OMWOMDGGSA-N	722.061	6.720	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(OCC)c1	1529549077	SKWRVJQUKYUEOL-BVIORAGMSA-N	671.603	5.856	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1	1529549447	ZFGZDDUFECXUGV-YMEQDBNJSA-N	682.155	5.111	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	1093587	ZHJVZDRUBCPNKT-KOEQRZSOSA-N	515.569	5.864	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	1767318	MDYDWOVFXAQJQY-OQLLNIDSSA-N	514.821	7.500	50	40	KKGB	
COc1cc(/C=C2\CC[C@H](C)C3=C(c4cc(OC)c(OC)c(OC)c4)C(C#N)=C(N)O[C@@H]32)cc(OC)c1OC	5844802	BIYWMOLCMUADFB-WDVDVWRNSA-N	534.609	5.098	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(Cl)cc3)cc2)sc2c1CC[C@H](C)C2	6167103	QAFLMJYENCCNIA-DVHOOAJRSA-N	568.095	5.873	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2)s1	8743454	LOFONKLVJNMOJY-RWPZCVJISA-N	520.014	5.024	50	40	KKGB	
O=C(NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1	13895805	CSRBJGWQYKQZOL-UHFFFAOYSA-N	511.412	7.029	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2cc(Cl)ccc2C)cc1	20206990	UVZYNDHKACNKPV-LQKURTRISA-N	514.047	5.090	50	40	KKGB	
CCCCCCCC/C=C/CCCCCCCC(=O)OOC(=O)CCCCCCC/C=C/CCCCCCCC	59900585	BWBVNPNIHQQWIR-XPWSMXQVSA-N	562.920	12.063	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCc1ccc(Br)cc1	100062329	SWKWREFLPRVBRX-MZJWZYIUSA-N	593.259	6.104	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122237	DOMLDZZYDMRBIP-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl	100127688	GPQZCRIFFYHWGB-KBVAKVRCSA-N	585.513	6.110	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3c4ccccc4cc4ccccc34)n2-c2ccccc2)cc1	100136157	BFXZHNVRQGDHCN-UCMJSZAQSA-N	527.653	6.792	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl	100292907	YSCFMXYUGJPGSU-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1	101720446	ANGBRGFOJMCSJE-OOAXWGSJSA-N	544.054	8.409	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)cc1	101736785	XTESZFNFSCBKGR-IPHFVPNQSA-N	553.622	7.128	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	103887038	JXRKGMTXOXBORY-NHFJDJAPSA-N	524.580	7.574	50	40	KKGB	
CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341328	NVHAUPRAVYZZAV-QMMMGPOBSA-N	758.188	10.431	50	40	KKGB	
FC(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341879	WEBHPJGNOLSOBC-UWTATZPHSA-N	942.051	11.564	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342104	CAPWDHFTBLZJTH-REOHCLBHSA-N	642.009	7.752	50	40	KKGB	
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@]2(C[C@H](Br)Cc1ccccc1)[C@@]1(C[C@H](Br)Cc2ccccc2)C(=O)[C@]2(C)CC[C@@H]1C2(C)C	150343174	DSLHNLQYIWSSJN-DSDZSUSUSA-N	696.608	9.802	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccc(Br)cc1	150450590	QHVCSCCZAKFUFI-KKMKTNMSSA-N	621.376	6.651	50	40	KKGB	
O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	150452195	UGLFWGVZTUQPQZ-UHFFFAOYSA-N	671.050	5.174	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)cc(I)c1OCc1ccccc1Cl	408528973	YNZONIFRESABSV-LGJNPRDNSA-N	550.780	5.061	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(OCc3ccccc3)c(OC)c2)cc1	408537189	COBONSUHBLIYMJ-UQQQWYQISA-N	599.481	7.170	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Br	408539478	HYMVMLZVPJLEIM-PDGQHHTCSA-N	568.737	8.150	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(-c3cc(Br)ccc3Br)o2)c(C#N)c1C	408545976	BBDABRHORCSAOP-ZSOIEALJSA-N	588.277	6.609	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554033	YKEGIRWRNSKPFU-VCHYOVAHSA-N	593.248	7.078	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408568992	XXGYQTOANJKGEO-APSNUPSMSA-N	561.238	7.813	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCc1cccc2ccccc12	408599330	SPOBRMJBMZHVOF-HYARGMPZSA-N	556.485	8.113	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccccc2)cc1	408646863	JALUXOPZJNTVGN-LGJOHJSGSA-N	749.239	6.231	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2cccs2)cc1	408659105	VOAFFNXHEYVZNI-STJRFHCOSA-N	755.268	6.292	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(OCC)c2)cc1	408712078	YNNRZYBMFQOOFQ-OGLMXYFKSA-N	558.416	5.360	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccc(Cl)c(Cl)c1	408742295	VVJAOCUFWCHVLA-FMFFXOCNSA-N	510.424	7.882	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(I)c2)c1	408742675	BPUASIKEJSPOBQ-MTJSOVHGSA-N	519.342	5.596	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2I)cc1)C(=O)Nc1ccc(Cl)cc1	408756082	XKPMEGUUFOJLQM-LGMDPLHJSA-N	557.775	5.508	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Cl)c(Cl)c1	408760546	ANXVZQMLCBGCOL-IPPBACCNSA-N	528.233	7.252	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1	408788854	MPLBCHRDBNJWSL-VXLYETTFSA-N	560.275	7.452	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408795445	MIAGUNZKTUVDSB-CXUHLZMHSA-N	628.091	7.485	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccco1	408826893	LETXZGDKJBNGQS-MZJWZYIUSA-N	532.405	5.334	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Br)c1OC	408834126	TVWCEJXIWRYIKT-WOJGMQOQSA-N	527.802	6.244	50	40	KKGB	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408838135	CHASEWAIOXQXTG-UHFFFAOYSA-N	563.806	6.097	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC	408843411	MHXIJKXBWAJNQF-OKCVXOCRSA-N	535.069	7.077	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(F)cc1	408846364	JXEODZNHKDRQSF-DBSPGSINSA-N	626.526	8.096	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1ccco1	408849318	XVWVCPKJJFYZMV-UXHLAJHPSA-N	511.534	5.222	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1Cc1ccccc1Cl	408865811	FUNKAMBCWQTCOJ-VXLYETTFSA-N	544.276	7.600	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408874515	CXSJTAMLFHMEDQ-QXUDOOCXSA-N	638.142	5.681	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1	408877599	STFOWVCFARTIIA-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408881033	JYGHITAULGKGHM-OQLLNIDSSA-N	679.221	6.607	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccccc1	408881064	LZNLJKIPTSXLEN-GZTJUZNOSA-N	561.841	5.815	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccccc1Cl	408884865	YTHQYFFXOSGELB-ODNPBWNPSA-N	644.050	8.464	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408887269	NHVCMIVYUDJIBB-OVCLIPMQSA-N	506.172	7.065	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc(C(C)(C)C)c1O	408889022	ASBABSZOQRGGBI-HNSNBQBZSA-N	504.646	6.788	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408894710	KUNKVVHRQAPVMD-CXUHLZMHSA-N	562.387	5.532	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Br)c(OCC)c2)cc1	408897169	WPZIHJPCLGGDTJ-FYJGNVAPSA-N	675.317	6.754	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2Cl)cc1	408910955	MHFUZCPSIKECTK-BIZUNTBRSA-N	528.008	5.052	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Br)cc1	408927202	ZXBKHPJXUWGWLI-DEDYPNTBSA-N	568.449	5.338	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	408943610	HWECVCGCXCXWJG-MHZLTWQESA-N	734.442	5.815	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	408957498	USYPLVJPPBTOTN-GMECBSATSA-N	590.477	5.345	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1	408972614	PRTWAYHCJKFOCM-JPXOHXSUSA-N	699.429	6.989	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408973676	OEZHPINFYOPWEU-BEJOPBHTSA-N	595.306	6.003	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1ccc(Cl)cc1Cl	408995929	CBHGCAAPSVQDIM-BOPFTXTBSA-N	549.195	6.723	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409011860	OOFQOYPSZYHEDH-QJOVZPHJSA-N	626.710	6.008	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1	409015539	RKVJSTGDVZYTJJ-QJHDHCORSA-N	589.648	6.191	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1	409017918	WIKYGRAOROTDPN-AQUWYIDFSA-N	637.692	6.778	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1	409019641	WJMFWKPOZRKBFV-QOGLLQIUSA-N	570.517	6.329	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	409025540	WVHWXCIMCMTOSO-FDAWAROLSA-N	582.465	5.558	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1)C(=O)Nc1ccc(O)cc1	409040258	GAZJNYBJONPVLU-CXUHLZMHSA-N	562.645	6.695	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccccc1Cl	409040886	IPSUPOAIKHXJOR-KVAAJVFYSA-N	647.982	8.321	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccccc1Cl	409055344	YTADWZXAHUTETK-XODNFHPESA-N	536.253	6.806	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)NCc1ccccc1	409073270	GOVBZIJAEWWSNB-LDADJPATSA-N	531.815	5.094	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409090249	LOGDFNAHOZEFDN-YPXUMCKCSA-N	603.094	6.576	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccc(Cl)cc1	409122335	XZUCKOXOUVZRIY-KCSSXMTESA-N	643.991	6.254	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1	409138732	HFALWEHGYZYXKL-FMFFXOCNSA-N	572.086	6.391	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OCc3ccccc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409140467	FJWNUGOXIPQDSY-VWLOTQADSA-N	566.496	5.419	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C)cc1	409143095	MVVDYGMUASHELR-HSZRJFAPSA-N	508.416	5.075	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c2)c1	409222600	CMMZDEYVGPJCJQ-UHFFFAOYSA-N	635.312	6.755	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409223850	IXKIZRPIDXRGPQ-UHFFFAOYSA-N	627.650	5.355	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409224157	KZKZVIZPMBXOBT-UHFFFAOYSA-N	641.633	5.075	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(C)cc1	409240887	QRUIVPFBFAOZGZ-JAIQZWGSSA-N	559.382	7.300	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409252853	UFEBXHLJJXFECV-UNOMPAQXSA-N	524.404	6.264	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1	409256983	ONKFHARBYUEUCZ-ZDLGFXPLSA-N	617.725	7.045	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)c1	409261290	CIZXANGLNPQMNP-UNOMPAQXSA-N	538.829	6.283	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)c1	409265188	RGRJGODYGSAFSH-LICLKQGHSA-N	603.698	6.737	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1OCC	409319811	MFOMSIGIVMLWBH-PKAZHMFMSA-N	561.454	5.168	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)cc1OCC	409321641	UEQGDVCODSAENI-UHBFCERESA-N	559.432	6.127	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)ccc1OC	409325346	XZAGOCRYXWDITM-DBFSUHOCSA-N	639.728	6.054	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1OC	409364205	NNLYRIJRPQIQDG-WKIKZPBSSA-N	607.255	5.409	50	40	KKGB	
CC1(CC(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)SCCS1	409365038	PRZJFLLWLUQJOM-BHGWPJFGSA-N	672.779	6.165	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccccc1Cl	409374070	XEDZTIFTENYWDC-NHDPSOOVSA-N	540.788	6.858	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1	409395236	LJKCNZVLSIPITQ-UHFFFAOYSA-N	576.834	7.135	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)[nH]c12	409397133	GQHZYYKIMTUVFS-UHFFFAOYSA-N	576.867	8.087	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397411	JOUOBQCHRNARHE-UHFFFAOYSA-N	517.585	6.525	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC	409400494	DLBSBUCENIQIDF-LJUMEUDFSA-N	536.028	6.481	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OC(C)(C)C	409400743	FHPTWXAYZYGMLI-IPHFVPNQSA-N	569.702	7.335	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc4c(c3)OCO4)o2)cc1	409407788	HULSYDLFPWZCBO-DLCNMLRHSA-N	622.590	5.886	50	40	KKGB	
OCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	642882883	JHWDYGAIIBKBAB-RXMQYKEDSA-N	582.085	6.327	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	1529547214	JQHPYPMRBUYRGQ-MKEMXLLOSA-N	844.897	6.013	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccc(Br)cc1	1529548403	FPBNLDDDHDPWPI-JKYKOXDNSA-N	889.348	6.122	50	40	KKGB	
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[PH](O)(CCC#N)N(C(C)C)C(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	1772490907	SACGWGAHIMAURP-CFRPWPFXSA-N	990.228	10.297	50	40	KKGB	
CC[C@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	2098771	KYNDUKCXDXQFSU-QYJQOTDOSA-N	545.275	6.131	50	40	KKGB	
COc1ccc(/C=C/C(=O)NN(C(=O)/C=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3s2)cc1OC	2234964	ULJQVDZKNUMTOD-JOBJLJCHSA-N	545.617	5.122	50	40	KKGB	
O=C(c1ccccc1)[C@@H](Br)[C@@H](c1ccccc1)C1(Br)C(=O)c2ccccc2C1=O	2300387	XFAYQIBHWWWZRF-UXHICEINSA-N	512.197	5.630	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nc3ccccc3c2=O)cc1	2604899	KTQDHPGOLYZEEE-BIZUNTBRSA-N	550.640	5.216	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1	2888370	BODDXCYPGABUOO-YMGIJWJESA-N	597.332	5.954	50	40	KKGB	
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	8398021	YYFAVFIXUFRSAA-FGMUQOLRSA-N	520.671	7.267	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccc(C)cc1	12461787	WSXVDCXJVNXHLB-UHFFFAOYSA-N	520.095	5.561	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c(C)c1	20195310	ZZYDWXLMVKCAIF-OCSSWDANSA-N	501.424	6.491	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	59335687	YTOCMXKZKFSJDK-IWIPYMOSSA-N	501.424	6.919	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC	59856214	XIELEAJEYOXUOV-DFKUXCBWSA-N	543.645	5.253	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@@H]1c1ccco1	97950497	JAKVYPRKLWZVLE-HHHXNRCGSA-N	528.634	5.612	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	97959904	LZDNGLWAOAGCAJ-MUUNZHRXSA-N	614.500	5.886	50	40	KKGB	
C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)COc1cc(C)c(Br)cc1Br	100030116	CABBTEHABZMVBF-OPEKNORGSA-N	566.077	5.727	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(Cl)cc2C)cc1	100122520	DJAWKGANURYHMV-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	100129463	KRBXSTNUFJZPAN-OHUYPAJKSA-N	568.621	5.454	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	100182245	XVEFHUYPHQWOEM-CCVNUDIWSA-N	536.253	6.426	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccccc1O	100935149	MHSWQXSMGWFFIT-VSPBFFAOSA-N	547.998	5.012	50	40	KKGB	
N#CC(NC(=O)c1cccs1)=C(Sc1ccc(Br)cc1)Sc1ccc(Br)cc1	102584163	MHTMSBDXQIZIQA-UHFFFAOYSA-N	552.338	7.280	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC(=O)c1cc(C)c(C)cc1C	102990196	XTUFIOAVMMCKET-RGVLZGJSSA-N	556.968	7.100	50	40	KKGB	
CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	103754285	WYZMFRZDWZIRNM-STBIYBPSSA-N	546.674	6.652	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)cc1	103880508	IRZSVRFQEYLIAY-XPGZBYHPSA-N	548.690	8.291	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc2ccccc12	103890092	YLKOMTUKPWGVLR-NDENLUEZSA-N	582.281	8.042	50	40	KKGB	
CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)Cl)[C@@H]2C[C@@H]1[C@@]1(Br)C(=O)OC(=O)[C@]31Br	103976387	BDCGTXWFWOHPRU-JXXJTQHHSA-N	576.753	5.928	50	40	KKGB	
CC1(C)CC[P@+](CCC[P@@+]2(c3ccccc3)CCC(C)(C)c3ccccc32)(c2ccccc2)c2ccccc21	104216723	UQZXRBHVHKHGPS-PDZRJKAFSA-N	550.707	8.076	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC	105585521	VZSJWDSVBLQYGW-LQKURTRISA-N	550.464	5.136	50	40	KKGB	
CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341561	NDHVONYACAEWCQ-GFCCVEGCSA-N	1014.320	14.532	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342056	SIHZPGOQCOBOCL-REOHCLBHSA-N	892.044	10.928	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	150423195	FNUUYQVXIWZIHX-RQRWGXNHSA-N	680.532	7.336	50	40	KKGB	
CO[Si](OC)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	169806585	SZMHGXGPOIZEMN-UHFFFAOYSA-N	552.278	5.090	50	40	KKGB	
O=[N+]([O-])c1ccc([C@H](Cl)[C@H](Cl)c2ccc([C@@H](Cl)[C@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	195515847	LYNBJUDBJRYFET-YSFYHYPLSA-N	604.186	7.839	50	40	KKGB	
Cc1ccc(S[C@@H]2O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)cc1	196264325	FVWMHGKJMGETAM-MQZWXTIWSA-N	575.081	7.324	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)cc1	253617038	OJNMMFFBVGCZFD-LIUUJZPSSA-N	524.746	5.552	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408537440	FDCOVVDCTJJHRB-KOKCXWAISA-N	686.628	8.210	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408566714	AZDVKUUSDDKIAI-UUASQNMZSA-N	666.188	6.463	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408569917	QZPOJBYBHHFKFQ-ZDLGFXPLSA-N	549.400	6.253	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	408580685	QVYGMKZJKNWRSQ-RIYZIHGNSA-N	529.228	7.141	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1	408583269	TUFUSVRQFANUSI-GIJQJNRQSA-N	517.192	7.002	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCc1ccc(Br)cc1	408598950	LUWCMBJRRJGMJB-OKCVXOCRSA-N	629.292	6.949	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)Sc1nc2ccccc2[nH]1	408599271	RLKHBDJYOIHTQI-KGENOOAVSA-N	512.432	7.714	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccc2ccccc2c1	408676639	LSBXPCVZUCXEAP-BIZUNTBRSA-N	605.476	6.396	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(I)cc1	408711783	KEPZTCLVVVKZJR-BRJLIKDPSA-N	614.075	6.159	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)ccc1OCc1ccccc1	408724787	AQFJXWQQSGVQFH-NJZRLIGZSA-N	543.645	5.253	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1	408743534	AVGVGYFRVXHFKN-YUMHPJSZSA-N	505.662	7.116	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)c1	408745824	PKEACCWACNBHAA-GRSHGNNSSA-N	521.367	5.701	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCc1ccc(Br)cc1	408746219	CMJOFSVCIWYVTO-XYGWBWBKSA-N	531.450	6.379	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)ccc1I	408746915	HRKWYIOQHPXCOD-LUOAPIJWSA-N	709.091	6.149	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccccc1C#N	408750389	MEVRQFARGJWHNO-HNSNBQBZSA-N	570.443	5.295	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408764294	RAHWBOKYQMZRNZ-IAEWTUJKSA-N	616.578	5.579	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c(C)c1	408774623	CNJLSHFOFPRBIP-YVLHZVERSA-N	515.875	7.222	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccccc1C#N	408789694	RDYRUHRCCOKIFA-WSDLNYQXSA-N	560.404	5.631	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408791264	VIVSHSHPEMHVIK-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408796347	OUTSYFCXXFSUEZ-FRKPEAEDSA-N	624.218	6.639	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1	408796538	PFDNGIREJXAJMW-UDWIEESQSA-N	613.408	6.121	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408797262	RBHXLRCKJCKBQL-REZTVBANSA-N	536.242	7.742	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798604	WEOXEXJOMBTNAB-GIDUJCDVSA-N	646.081	7.624	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)Nc1ccc(Br)cc1	408804280	WZXKUWPVYCDLBR-GHRIWEEISA-N	510.775	5.666	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(F)cc1	408817459	WIGGHPYPBWRRFC-XYGWBWBKSA-N	500.570	5.764	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408817986	OKFNOMVFZJBKIZ-QJOMJCCJSA-N	512.078	8.004	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408833430	SJUQJSVOTOZSCK-KOEQRZSOSA-N	658.379	9.613	50	40	KKGB	
C[C@@H](NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1	408835819	YLQOVWUBIBZFKY-WMMXNHCISA-N	647.968	5.958	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc(C)c5)cc4)cc3)cs2)cc1	408838428	FGYJBLIJOUYGMW-HNSNBQBZSA-N	532.669	7.513	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Cl)cc1OC	408840171	BSDWYLSLZNLMAB-LUOAPIJWSA-N	512.941	5.659	50	40	KKGB	
COc1c(Cl)cc(Br)cc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1	408840234	CRHWYROETPLEPT-JQAMDZJQSA-N	547.784	6.023	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408841591	LSKQYLVKTWECOH-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I	408850331	LNJWKALKVNXSCI-JJFYIABZSA-N	525.140	5.129	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCC#N)c(Br)c2)cc1	408852820	IRPRXSFTLAXJFM-LJUMEUDFSA-N	592.291	6.644	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(F)cc1	408854936	BJFUDCYXLJKLFD-NBCFERAOSA-N	553.059	5.094	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	408868422	ONRWCSUGRWHFBU-OQLLNIDSSA-N	544.311	6.043	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408868542	PFECSQOXPVCFBO-SCRDLHCBSA-N	526.829	5.210	50	40	KKGB	
COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408875509	GEPHHHMFCMSQAM-YBFXNURJSA-N	510.331	5.424	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408885210	YJHXRVWYLMQPQD-XPGZBYHPSA-N	568.721	6.501	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1cccc2ccccc12	408890087	NNQUYWWXQGQGEB-KGENOOAVSA-N	503.385	7.280	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1	408893330	DZLSBXSCRAHTSP-KGENOOAVSA-N	533.378	5.699	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OC(=O)c1ccccc1	408900597	WNDRRISTUPUNAX-CPNJWEJPSA-N	538.341	5.455	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922138	DKFLBUKXYXTKMO-XDHOZWIPSA-N	584.448	5.038	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2C)c(OC)c1	408926478	YEHKJRPVGCFHQO-UVHMKAGCSA-N	609.258	5.722	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccc(F)cc1	408954174	YSIZMXJKAVGXNC-MHZLTWQESA-N	828.442	5.499	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408962839	KBHAZGRGHSJHIZ-ROPCREHHSA-N	551.392	7.482	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)c(F)c1	408965862	JHGDXLLBTAHFOH-IPBVOBEMSA-N	657.075	6.170	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccccc1F	408966934	NZWKSYPACSHUCN-VFLNYLIXSA-N	514.326	5.341	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)c2-c2ccccc2)cc1	408981414	BEIRMMNFJRRFLH-XHLNEMQHSA-N	586.091	8.496	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5C)cc4s3)c([N+](=O)[O-])c2)n1	408990287	KGMPDWGXZCDYDD-FYJGNVAPSA-N	594.678	6.977	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)c(C)n1-c1ccc(I)cc1	408998677	NOMAVLKGXANYCI-FTBWOGGGSA-N	752.416	5.343	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	409001980	LHUCCPLPXRDUNH-ROPCREHHSA-N	601.273	7.536	50	40	KKGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409006569	PGPBWQFQYMLHDS-KCSSXMTESA-N	566.054	5.399	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1	409024110	VXBLBJQXXJKNSN-YNFMAFFXSA-N	681.243	5.691	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccccc1Cl	409030260	CRQNYJVAUZCPRS-FABQOPTDSA-N	600.900	7.669	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409031166	JCKGVUKQLRSHEV-CXUHLZMHSA-N	608.865	6.593	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2I)cc1	409031665	JZNIVAGZIIROFP-OHUYPAJKSA-N	627.438	6.548	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCc1ccccc1Cl	409067234	PTZFVPOXZAZTPB-PXLXIMEGSA-N	507.417	7.245	50	40	KKGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Br	409112027	JSUFDPFMEQSBBI-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(F)cc1	409165406	XXGDFGWEFCYHOE-OCSSWDANSA-N	556.432	5.825	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	409183603	CGQOPHPWTGKNKD-KULFSUQXSA-N	764.482	6.656	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)cc2c1	409190999	XZUCNXGBAYMJBU-DBFSUHOCSA-N	562.247	7.244	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccco1	409221709	ADFAOPKYRABYCV-UHFFFAOYSA-N	547.951	5.186	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)c1	409222855	FDXQEWYRGBXPRV-UHFFFAOYSA-N	741.389	6.481	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409225312	OFADXYLCFSUONQ-UHFFFAOYSA-N	582.569	5.238	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1OCC	409227696	ZXLVLBAUXULVOJ-KMUKQRDJSA-N	620.489	7.026	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccc2ccccc2c1	409247255	CUJZUUIRUKHTBJ-FJEPWZHXSA-N	579.520	6.229	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCc1ccccc1	409250029	MDIDXDORPQYFIR-LGJNPRDNSA-N	529.460	5.076	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409253648	XRVXAEWRZFYRSU-QDTIIGTASA-N	565.251	5.936	50	40	KKGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1	409260220	MUAQWCWVJGBABI-IFBDVWKUSA-N	526.420	5.474	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)ccc1OC	409312116	KBTGESNUKFEEEM-LJUMEUDFSA-N	518.997	6.252	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OCC	409318140	TVVYGMJUEANMBO-BVMLUPFRSA-N	655.316	6.913	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1OC	409320311	AHUDAIFBNOGPLZ-YUMHPJSZSA-N	536.497	5.031	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OCC)c2)ccc1OC	409322715	LNTKWUWGDQSTAH-FDVSRXAVSA-N	592.405	5.579	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409363349	WGJMUBVWQDKVHJ-VPUKRXIYSA-N	616.137	6.668	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1ccccc1F	409372425	XLPVFKJQJRGCTB-STZFKDTASA-N	505.330	7.227	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409378305	NPHAOLAIHWPFQI-GZTJUZNOSA-N	529.902	5.931	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)c(-c3ccccc3Cl)c2c1	409396419	YFYLCTLPWFOFKG-UHFFFAOYSA-N	616.899	7.633	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)c1	409396668	ZXIHHKOPWAAOGE-UHFFFAOYSA-N	647.323	7.352	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1C	409406176	APAXYVBYTZYVKC-OHUYPAJKSA-N	581.629	6.354	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409406224	WHMVIBLQRMYMEZ-NMQPEJGJSA-N	608.489	6.123	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	409409073	MNKKFWSFOZHBGG-OCSSWDANSA-N	535.069	7.159	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Br	1529546101	CTKGUIWVFVHERA-PGELQFCNSA-N	736.472	6.229	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)ccc1OCc1c(Cl)cccc1Cl	1784076	QASQDQNHYKCUTE-VYVUJPJFSA-N	545.448	5.120	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1	1888855	CPGVWGWJFXQODN-YDYXIROLSA-N	536.426	5.331	50	40	KKGB	
CC(=O)N(NC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)[C@@H](c1ccc(C)cc1)c1ccccc1F	1921394	OSGIKHDMDINBBG-PMERELPUSA-N	510.609	5.656	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1	1958866	UOVATSXTRIAQIR-STKMKYKTSA-N	503.602	6.533	50	40	KKGB	
CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C(=O)OCC)c1C	2415176	UQDXKKUQSZLJDS-PTNGSMBKSA-N	502.017	6.163	50	40	KKGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1	3086910	QKIBGKWIHFZNEX-HNSNBQBZSA-N	570.443	5.067	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2Cl)P(=O)(c2ccccc2)c2ccccc2)cc1	3214622	GLJCFTZXVJSUMM-SANMLTNESA-N	530.413	6.293	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	6445835	JVOXJBSAUYYKES-SMKLBOOYSA-N	549.863	7.638	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c21	8410906	ZICOUBMXKMKLQO-DEOSSOPVSA-N	511.029	6.490	50	40	KKGB	
CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(Br)C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C	8789027	IEJKMUZABMNWPG-DYWRDPKLSA-N	528.059	9.048	50	40	KKGB	biogenic
CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccccc1OCC	9089550	ZJJMOFVESMLUBK-GOTSBHOMSA-N	507.612	5.042	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1)c1ccccc1	28214737	ZQYUPKNRZPAHDU-SBUWOATQSA-N	523.658	5.999	50	40	KKGB	
C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	58916932	JVFGMVRFPCMCGH-AURYFIRGSA-N	512.635	6.195	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	59646405	WYJRIZIIJYPFON-HPCBKEDMSA-N	550.467	6.792	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1cccc([N+](=O)[O-])c1	97939458	MDWLLQZGWJWVQZ-ZMFRSBBQSA-N	527.393	5.392	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)cc1	97960843	SUUCIGRWZHTDBN-WVKHYPTHSA-N	648.988	9.365	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	97961018	KTJKNLPHVWWRTB-VTNSRFBWSA-N	631.297	6.563	50	40	KKGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1cc(-c2ccco2)nc2ccccc12	97981052	BQGFMSHNCPECFC-FABQOPTDSA-N	543.501	6.738	50	40	KKGB	
COc1ccc(N2CCN(C(=O)[C@]34CC[C@](C(Br)Br)([C@H]3Br)C4(C)C)CC2)cc1	98000125	AIDFITWLUCMQOE-HBGVWJBISA-N	579.171	5.030	50	40	KKGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)c2C)c1	100100237	ZSDBBHCQZWHPBW-OCSSWDANSA-N	532.507	7.221	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1	100119089	DFLQMWOUVRQPMS-AMEZEBJKSA-N	543.092	6.286	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)Cc2ccccc2)cc1	100129279	AVIFUTDVXIACCR-KYHGBAKBSA-N	583.541	6.051	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccccc1O	100935151	MHSWQXSMGWFFIT-WVLDPRMZSA-N	547.998	5.012	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	100988408	PHHRKJBYYFUAEA-BKFIETJDSA-N	563.293	7.365	50	40	KKGB	
CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccccc3Br)c3cc(Br)ccc32)C1	101090480	SROFVMPTASLMKF-PXGXHLJLSA-N	588.344	5.550	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1	102615048	GEVAMFVSIMKVRU-AREMUKBSSA-N	517.651	6.371	50	40	KKGB	
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1Cl	103132858	YTNRXVACOAKLEC-CIAFOILYSA-N	548.049	5.729	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	103842202	RTCHCNWTIZANGT-BKUYFWCQSA-N	581.841	6.271	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	112265368	RTOVFRONMNECIG-VULFUBBASA-N	579.232	5.334	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](Br)C(=O)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C	118923340	QPEUNNHJRQSZCH-QXLLYBDMSA-N	544.456	8.424	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1)S(=O)(=O)c1ccccc1	150383990	WPCJJCPOSJRONF-QLQYKETESA-N	648.181	6.528	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C)S(=O)(=O)c1ccc(C)cc1	150464080	ITPLMEDWAQQPGG-XJECJHNESA-N	633.092	6.429	50	40	KKGB	
C[Si](C)(C)O[Si](C)(O[Si](C)(O[Si](C)(O[Si](C)(C)C)c1ccccc1)c1ccccc1)c1ccccc1	199960826	FNZBSNUICNVAAM-UHFFFAOYSA-N	571.059	5.660	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	216042700	FPVFFOUPRMUZSH-VYYCAZPPSA-N	526.387	5.255	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@H]2C[C@@H]([C@@H]3C(c4ccccc4)=NO[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	250816749	PCPWWUPRFBJKIV-MLBAWHDCSA-N	613.634	6.821	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(OCc3ccccc3)c(OCC)c2)cc1	408538928	RNTIJKUKXGLKDA-ZXVVBBHZSA-N	583.084	7.841	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539376	WDAWEIBKOIORKA-LQKURTRISA-N	641.562	8.177	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552947	LWZNUWHPTSHYJT-GZTJUZNOSA-N	579.451	5.963	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Br)cc1	408567486	NTZYVTFOXWIQKC-UXHLAJHPSA-N	523.471	6.417	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1	408567547	FPLMBXJTBRAJNH-DXJNIWACSA-N	527.715	6.769	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	408581541	ITXIMYQWYKXIEP-VXLYETTFSA-N	588.829	6.352	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408644093	GVGPNUUNVKDBFP-SZRMMQHJSA-N	709.621	6.148	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(N2CCCC2)cc1	408677733	UJFYYCZDALOSEB-LQKURTRISA-N	512.835	6.046	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	408744257	DQHFCULGRUQJDE-GRSHGNNSSA-N	694.263	6.117	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408746962	IPKPNLVDVVQZIN-SXGWCWSVSA-N	520.185	7.020	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)NCc1ccccc1	408747166	JWOFRGBACFIGCX-QRVIBDJDSA-N	623.288	7.009	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408784197	UMGAPLMLKLFCSM-JCMHNJIXSA-N	675.308	5.731	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408784914	DFWIOIBZPQCXIF-BOPFTXTBSA-N	643.394	5.910	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c1C	408788995	GYIIDSYXZSCCRU-DJKKODMXSA-N	585.252	6.861	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1	408795848	NGOKASFRANMVDR-BUVRLJJBSA-N	585.454	6.912	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccc(O)cc1	408799505	ZQJRLQKALCDWBM-GIJQJNRQSA-N	647.210	5.598	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc(Cl)c1	408806260	AXJKPHDOVBMFGG-CAOOACKPSA-N	580.693	7.933	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1	408812970	CHRDHPWHGOKHSN-IPHFVPNQSA-N	550.058	7.458	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c(OC)cc1Cl	408830184	YIAMKHQGTKNXHR-RQZCQDPDSA-N	562.247	6.898	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408834887	XGGUGNVRKQRSBQ-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1cccc(F)c1	408837928	ASOZMUMSPCPMAT-MWBNBJEGSA-N	601.103	8.088	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(C)cc1	408838941	KMZLYQZCYOCZEO-MWBNBJEGSA-N	688.591	8.127	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)c2-c2ccccc2)cc1	408848294	VPVWKWYZRPXWOO-ZSTTVQMRSA-N	701.852	9.927	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Br)c2)cc1	408853810	SLXSGRXBMWTIAT-OJYCWLPVSA-N	598.928	8.212	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccc(C)c(Cl)c2)cc1	408862026	HKJKGVZXOYDTKQ-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC(=O)c1cccc2ccccc12	408890258	QLFVKNDJDRMFIM-PPOKSSTKSA-N	530.580	5.454	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cccc2ccccc12	408923868	KSFMEAWROHFALY-SGWCAAJKSA-N	504.589	8.271	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1cccc(C)c1	408924136	LLLRBUCMNDARMU-BUVRLJJBSA-N	541.445	7.434	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1C	408926866	YUTMQXNFXAPAMK-LPYMAVHISA-N	552.412	6.431	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)cc1Cl	408937626	KHGYYZDKBIBOCO-OCSSWDANSA-N	500.986	5.937	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C)cc2)c(OCC)c1	408943146	HCCMLQLSXBXKBJ-SSEXGKCCSA-N	695.636	5.620	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1	408945470	KWJLYCYACUAHIT-HHHXNRCGSA-N	706.446	6.220	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)c(OC)c1	408951506	IZOGODXJMJDFCW-OQMZEJBMSA-N	760.557	5.137	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(C)c3)c(OCC)c2)c(OC)c1	408953531	LXKZGGLRZYWZHM-LBEBILTRSA-N	709.594	5.464	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408967686	RRUBBRYKSWXXTP-KPGMTVGESA-N	500.961	6.101	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	408969031	GAHQIQMDUNCJLA-OZPYPADVSA-N	556.490	5.673	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl	408972378	SKXVNEZVTJSIPL-GNCKLDPMSA-N	669.005	7.270	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(OC)c(OCc2ccccc2C#N)cc1Br)c1ccccc1	408978803	KIGMKVQAXGMUQY-CIMVZPIYSA-N	579.451	5.236	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408999211	PXOQCXGAGCZTKZ-DVAMMYLFSA-N	572.489	6.133	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	409022923	IECYVFYSSCFLAZ-UHBFCERESA-N	533.968	6.465	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)cc1	409026367	NAHBCTBSEJJLRU-RUMWWMSVSA-N	521.642	5.901	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(I)cc1	409032657	CWMMYJWMGPTUCI-KMUKQRDJSA-N	706.378	8.011	50	40	KKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1Br	409047702	QAVMPFMJLWYVHM-XNTDXEJSSA-N	508.210	5.945	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409112717	BYVPTYWSMMHNAJ-NDZAJKAJSA-N	534.037	5.474	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=C1CCCCCCCCCCC1	409119227	RUYJCXVVPYEWSL-UHFFFAOYSA-N	545.677	5.569	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409136817	ZSMNUIHKBCDJLE-DPNNOFEESA-N	685.597	5.237	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C	409163281	OTNOIMVYESANGQ-KLPHOBTLSA-N	636.330	5.796	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1	409193684	LDSRILDQDMFMJY-RPPGKUMJSA-N	543.392	5.367	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c2)cc1	409225541	QWZRKVPJMJUSIA-UHFFFAOYSA-N	730.207	7.218	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)c1ccccc1	409233159	REKCADDPDKMPIR-WYRWUVFZSA-N	558.419	6.808	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409243567	SORLCMLWFRLZBK-JCMHNJIXSA-N	503.986	5.022	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c(C)c1	409268426	SZIWRGSMSQPRSS-SRZZPIQSSA-N	597.307	6.069	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC=C)cc1OC	409314400	FZQXHTHCNSIROU-CFRMEGHHSA-N	524.209	5.114	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409321503	SZAVEVKGGUMKAC-VQTJNVASSA-N	568.866	5.155	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)cc1OCC	409321551	TWUAGVFKQFPXJJ-UHBFCERESA-N	606.432	5.969	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC	409322840	LTHHRHMMRCJDOA-VYYCAZPPSA-N	648.366	5.246	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409362495	GRBYVCNSXNTJSE-LDADJPATSA-N	585.373	5.392	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2OC)cc1	409375555	MLIDEXPULZIGPB-GZTJUZNOSA-N	570.827	5.683	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(I)c1OCc1cccc2ccccc12	409377159	GIXSCGNXGFHFAM-OKCVXOCRSA-N	571.459	5.404	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccccc1OC	409379286	WOJGBNMICLCUQA-FYJGNVAPSA-N	578.463	6.036	50	40	KKGB	
O=C(O[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1cccc(C(F)(F)F)c1	409380228	KXRRRHJYXLWTPK-VQTJNVASSA-N	681.325	5.328	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccccc1F	409383658	ZDNFYAVUNYQIJM-GZTJUZNOSA-N	513.447	5.416	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(Br)c1OCc1ccc(Cl)cc1	409383857	LNNQNKASKITFRM-CCVNUDIWSA-N	547.833	5.861	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386293	PGNICXIYZKRFDE-LUOAPIJWSA-N	607.255	6.817	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc(Br)cc1	409394550	CCLXXKNXJZECKC-UHFFFAOYSA-N	775.089	8.868	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)cc1	409394775	FSMCDOVIQOSBKF-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409394902	HEVYSFATDXHZJL-UHFFFAOYSA-N	811.190	8.966	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395219	LDPMSXRAKIUUPQ-UHFFFAOYSA-N	755.077	9.957	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)ccc1OC(C)=O	409396163	WUUONFHCJWVQJY-UHFFFAOYSA-N	808.694	9.237	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398749	VNABXIDINCAKGA-UHFFFAOYSA-N	636.705	6.309	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1cccc(F)c1	409400830	FRBXQXAOILOHKZ-QJOVZPHJSA-N	581.644	7.147	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1cccc([N+](=O)[O-])c1	409406931	YDBLJJPYQZOMKK-AEVGBRMKSA-N	766.443	8.441	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	1103996	IGUQYZOBERWIDS-ULJHMMPZSA-N	543.620	5.972	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1	2097093	HHEDZVDCMNNGSH-PGYFOQMFSA-N	520.662	5.972	50	40	KKGB	
CCCCCC(=O)NNc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2	2270598	KSHMPOKURWOZKM-QFIPXVFZSA-N	506.691	5.822	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)ccc1OCCC(C)C	2632156	FXLWFOQBAFKAHZ-STBIYBPSSA-N	519.692	6.786	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1Cl)N2	4045288	ZBICCFULFLDWCM-HQFBCKHPSA-N	515.418	6.985	50	40	KKGB	
O=C(N/N=C/c1ccc(O)c(Br)c1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1	8427088	NDNKQQPJLBBWSH-FDALDRLYSA-N	637.530	7.656	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1	9007906	OMNISWQFYACLKE-OGLMXYFKSA-N	510.450	6.182	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccccc1Cl	9200882	HNKVKMVUTJLDCR-MZJWZYIUSA-N	501.808	6.153	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	9204230	YDEVNJHSRHCDFD-DHRITJCHSA-N	502.752	5.283	50	40	KKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(c2ccc(SC(F)F)cc2)c2nc3ccccc3s2)c1C	13095199	FIXXMNYSJBRYCG-HMMYKYKNSA-N	522.646	7.711	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1Cl	14151825	LBTXCNWDSYVYNL-XDHOZWIPSA-N	504.011	6.285	50	40	KKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	15945095	XSLCAMPVVCGIBH-BUSWJJOUSA-N	522.270	6.937	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl	20347825	ZCJOORRDLJOJBH-HSZRJFAPSA-N	514.434	5.790	50	40	KKGB	
CC1(C)[C@@H]([C@H](Br)C(Br)(Br)Br)[C@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1	43068520	YWSCPYYRJXKUDB-RDGPPVDQSA-N	665.014	7.461	50	40	KKGB	in-vitro
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1	100049158	FOZSMQNUMSGCJD-DRTNWNSLSA-N	611.496	5.656	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	100125994	VBVNGILWRNAWGF-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
CCCCCCCCCCCCCCCCNC(=O)[C@@]12CC[C@](C(Br)Br)([C@@H]1Br)C2(C)C	100867855	QZQFKTHWSDENLQ-RMUDUWAUSA-N	628.372	9.270	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	100991889	NMBCMPPBSGVBJI-RVDMUPIBSA-N	559.272	7.609	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	103528722	RYJGKUHJGONJKM-QFIPXVFZSA-N	554.510	10.810	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	103842217	ONESVMZLYDYOPO-JLPGSUDCSA-N	590.596	6.450	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	103843205	KKAADNLCCQPLBC-MTJSOVHGSA-N	575.419	5.692	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	103885762	QGFPFKFGEWXBLU-AUWJEWJLSA-N	592.602	5.123	50	40	KKGB	
CC[C@H](Cl)COP(=O)(OC[C@H](Cl)CC)O/C(C)=C(\C)OP(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	104161413	LIYOQJAPSXULFY-NBCONFIWSA-N	610.276	8.623	50	40	KKGB	
COc1cc(/C=N\NC(=O)CCCCCCCCCCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	104224886	STNASBDZXLIGOD-NRYMNODQSA-N	614.740	5.240	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCc1cccc2ccccc12	105410630	UJZMKWVGOSSGKV-UPKTVJHPSA-N	568.455	6.308	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	137022914	FWAOQQZTBSRHTH-RQZCQDPDSA-N	517.796	6.789	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C\c1ccccc1OCc1ccccc1	150383265	LHURNKNFKSMCTG-DFDIYMMZSA-N	652.562	5.891	50	40	KKGB	
O=C(CCCCC(=O)N/N=c1\scc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=c1\scc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1	150480128	IWNFDPZLIKXKFT-ZWHQLJQGSA-N	782.606	9.463	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408542564	KDJJKGUKBLBRJO-IUXPMGMMSA-N	590.655	6.688	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408566683	AXVHVYLFXNQBLX-IBBHUPRXSA-N	695.576	5.854	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)c3ccc(Br)cc3)cc2Br)c1	408579402	GYUGCZQEVPDANL-VCHYOVAHSA-N	605.124	7.364	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1Cl	408590500	PECCYRQOSFYJBM-KBKYJPHKSA-N	601.520	6.970	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408646703	UEGBVXUMWZVMQQ-WTGUMLROSA-N	743.257	6.436	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408648176	JSHOKSXZVMLICP-UZBYSHQJSA-N	818.129	7.537	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408651964	CSYUGWUGINQCFP-IRQPZSLVSA-N	666.366	5.389	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1	408744992	OPIOTLLHQHUCGD-WQRHYEAKSA-N	637.699	7.230	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408746852	WTCCBDKMIOWCLQ-ZDLGFXPLSA-N	585.354	5.341	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc(C(C)(C)C)c1O	408752250	CNSKKUDEJXDCGR-HNSNBQBZSA-N	565.552	7.412	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)Nc1ccc(I)cc1	408757516	YYTIOPMBSHHYBU-LQKURTRISA-N	549.368	5.226	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1	408759409	DMJJEUDRSUJPGA-WQRHYEAKSA-N	618.303	6.036	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3c(Cl)cccc3Cl)c(OCC)c2)cc1	408768759	IYKRDIZGHYHKKA-PDGQHHTCSA-N	637.301	7.520	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c1	408783440	LJTCPOWLTJYFGN-UNOMPAQXSA-N	511.363	5.561	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc2ccccc2c1	408790338	VSNOZOLTEKYBKY-AFUMVMLFSA-N	588.445	7.195	50	40	KKGB	
COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408791569	YVDQGICZFCEOOI-ONNFQVAWSA-N	598.993	5.757	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(I)cc1	408794285	HYICVHONRBBUMV-WOJGMQOQSA-N	593.248	7.121	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(C)(=O)=O	408826422	GMLHHVARUACMKG-OCSSWDANSA-N	536.053	5.297	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408828420	MKULQVYHECCHDK-KEIPNQJHSA-N	662.790	5.179	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1cccc(C)c1	408835723	XVGIXTFWPHIPQP-YZSQISJMSA-N	583.482	7.470	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1	408844665	KTTUSHCISNZMQY-VVEOGCPPSA-N	568.442	5.648	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OC	408849336	ZRRKSEHXUVHCCH-XODNFHPESA-N	571.884	6.751	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)Cc2ccc(Cl)cc2Cl)cc1	408850084	FLDAQZDVCDFYDT-NDENLUEZSA-N	546.476	5.718	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(Br)cc1OCc1ccc(F)cc1	408850941	GVEZGHUHDKOERR-UVHMKAGCSA-N	550.222	6.092	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1	408856678	DAOSFQUIGIMGHU-HZQMBONKSA-N	684.214	7.486	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccccc2Cl)cc1	408860793	FFSBIEWLRRMSGK-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)cc1OC	408860918	IMOQYNZKBXPCNN-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)c1	408863987	WAXZCFJOGOHGQT-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	408866821	IRPZIYXGFLDPMP-KVAAJVFYSA-N	707.430	6.698	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408869131	RPWIUDRVRJZYQG-FRKPEAEDSA-N	555.767	7.799	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408872335	DGOCWACBTIWDKY-XZYGTATASA-N	685.040	6.907	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1Cc1ccccc1Cl	408876322	OOTSLAOYURLPPK-RGVLZGJSSA-N	509.831	6.864	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408879574	BVTWIAMWJWTXCJ-MZJWZYIUSA-N	550.678	6.527	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408883210	UFCJUUSVHQCLNZ-LZYBPNLTSA-N	547.192	6.789	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OC(=O)c1cccc2ccccc12	408891486	RGXVDSAXDRGMQG-XSFVSMFZSA-N	620.297	7.447	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2I)cc1	408905203	VCMZRULFHHEURR-ZMFRSBBQSA-N	555.328	5.597	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1	408924619	KTWGSKJXTQRYCU-XODNFHPESA-N	574.806	5.467	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccccc2)cc1	408925134	MYWCBKGRCKNRFG-NJZRLIGZSA-N	543.645	5.010	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccc(Br)cc1	408926259	WOMVBFMWAKAHRF-FYJGNVAPSA-N	592.287	7.498	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)c(OC)c1	408954165	NEBYPORBWKPDHD-QBQWNGAHSA-N	685.517	5.030	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408958382	YJAHRYKYFYJJJO-FDAWAROLSA-N	565.047	5.768	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccs2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409009790	BYWLVNLFASVZFQ-CAQPMQTCSA-N	543.689	6.006	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1	409015018	RIIXBKMYEMKTCX-UHFFFAOYSA-N	531.012	5.538	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	409026739	WOXKAXMVAHNXKU-FMFFXOCNSA-N	555.700	5.845	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccccc1	409043326	DXOYDOJKFKFUEX-WOJGMQOQSA-N	588.380	6.430	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	409064071	GANPLHBARRWCGM-XQNSMLJCSA-N	502.592	5.354	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	409074073	KAKOBNFAQPUTRX-NTEUORMPSA-N	612.683	5.884	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)cc1	409119343	SCWKEHSWEOGUSO-KVSWJAHQSA-N	523.869	6.618	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC	409184801	NRMSINUGDYPELO-VFHZOOBCSA-N	580.504	5.561	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nnc1-c1cccc(Cl)c1	409192560	CJPSWAKXLDNQEF-MUXKCCDJSA-N	608.061	6.565	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409218846	HOSSHODKUCUODZ-UDWIEESQSA-N	568.855	5.742	50	40	KKGB	
Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)CCc2ccccc2)c2ccccc21	409220307	WOAWYCAYKDQHOS-KIEQDVCZSA-N	574.080	5.934	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409220613	CFHLXGRDTJZYAU-MNDYBZJGSA-N	664.256	6.460	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c2)cc1	409224722	MDDCKIRGORYXPQ-UHFFFAOYSA-N	590.861	6.646	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409226987	WVMMNBZVMGUKHC-XDHOZWIPSA-N	509.484	5.586	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1cccc2ccccc12	409232674	BDONVOOUUDEBQK-FJEPWZHXSA-N	626.520	6.071	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	409240440	PRSOJSHLVDDYSZ-MTJSOVHGSA-N	537.494	6.475	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1	409252149	QXANBBVAHBYQNQ-RGVLZGJSSA-N	508.405	6.482	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409254486	XLSIWIIKDZCTDB-NINVTMNCSA-N	655.387	6.421	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409256561	MAVNZPAVGUMINM-QRVIBDJDSA-N	623.491	6.487	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409258751	VFKZBMIOSYQJAR-MBTHVWNTSA-N	571.415	5.088	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409267521	NDNBCSFKJICJCF-VXLYETTFSA-N	557.956	6.547	50	40	KKGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccc(Cl)cc1	409267723	XHOWRITVAWWPQE-OHUYPAJKSA-N	582.085	6.989	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OCC	409335439	NYYYAJJYRXJKDX-UHBFCERESA-N	529.420	6.308	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OCc1cccc2ccccc12	409360959	GEKALYUATDLTAX-LQKURTRISA-N	606.551	6.459	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)Cc2ccc(Cl)c(Cl)c2)c(C)c1	409369198	HJMJLVWWAFONEN-AEUUOICLSA-N	624.590	6.839	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccccc1Cl	409395840	SIPYKQKIENYHCR-UHFFFAOYSA-N	669.732	8.136	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396583	XSZNLLAUYPJLMY-UHFFFAOYSA-N	593.636	6.243	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397073	FXIWFDSCMDFJDM-UHFFFAOYSA-N	581.072	6.936	50	40	KKGB	
Cc1cccc(COc2c(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc(Cl)cc2[N+](=O)[O-])c1	409403560	NJIPIFGCVJJLIR-AEUUOICLSA-N	613.070	7.479	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1	1529547859	QAMTZNDMVQDMHW-MKEMXLLOSA-N	797.897	6.171	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1	1529549184	URPJGPRSURLNOF-AYSITGFNSA-N	750.897	6.329	50	40	KKGB	
CC1(C)c2cccc([C@@H](N[S@](=O)C(C)(C)C)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21	1857795208	VHKADKPVTWWGNZ-PSBPOGMQSA-N	603.768	8.018	50	40	KKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1cc(Br)c(O)c(Br)c1	985573	RWGZKLJPGOGMHF-AWEZNQCLSA-N	557.029	5.832	50	40	KKGB	
O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C/c1ccc(N(CCCl)CCCl)cc1F)c1ccccc1	1717310	GJYYQHKPPJXFDL-WKULSOCRSA-N	563.309	6.968	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(C)cc3)cc2)sc2c1CCCC2	1785627	QLQOBOXSQVBBOZ-ZXAKHJNPSA-N	533.650	5.282	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)cc(Cl)c1OCc1ccccc1	1897907	NASRJYSLLFCAIP-OKCVXOCRSA-N	564.067	5.423	50	40	KKGB	
O=C(OC(CCl)CCl)c1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1	2068209	YNCNPZAMKYRRJB-UHFFFAOYSA-N	515.991	6.104	50	40	KKGB	
CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	2091916	RDGJPZNRJHFRDI-BULNNFJJSA-N	503.396	6.702	50	40	KKGB	
N#C/C(=C\Nc1cccc2ccccc12)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	2268626	RALYAUMZKVIVNF-GHRIWEEISA-N	500.377	6.809	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl	2946170	WCVSEDLOIXEVSC-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1	3080533	DLCWLJZSTIMHGA-UVHMKAGCSA-N	500.780	5.192	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)ccc1OCc1ccccc1	3205033	DXWQAIWDSITIOF-UXHLAJHPSA-N	550.036	5.492	50	40	KKGB	
O=C(c1ccc(Br)cc1)[C@@H](Br)[C@H](c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-]	4409365	GMMLPTGIJBFXHR-PCCBWWKXSA-N	503.190	6.197	50	40	KKGB	
O=C(Nc1nccs1)/C(NC(=O)c1ccccc1)=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1	8397962	LUSXHSCTVOYLET-DQSJHHFOSA-N	549.592	5.895	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c21	8410903	ZICOUBMXKMKLQO-XMMPIXPASA-N	511.029	6.490	50	40	KKGB	
O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21	8440890	FEWYYYBGTVKEFL-UAOQFMSVSA-N	570.967	6.148	50	40	KKGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1	18193386	SOBUFNPZTAANBB-NCKAQOKESA-N	501.630	6.308	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)c1	28217135	IMGBEVWAXUTNJS-KXYWZDDBSA-N	522.674	5.941	50	40	KKGB	
CCc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	30696462	GDNLDIRKGCSHNI-MBTHVWNTSA-N	510.450	6.046	50	40	KKGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc(OC)c1OC	59922473	ZTQXVPNAJPHFHW-UVHMKAGCSA-N	502.354	5.035	50	40	KKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Br)[C@H](Br)c2ccccc2)cc1/C=C\c1ccccc1	68564664	XSGGGUXVTDBRJI-RHCPZQJMSA-N	532.188	7.246	50	40	KKGB	
COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1	97947417	HHEIMEHHAMLTGK-NBVRZTHBSA-N	586.630	5.324	50	40	KKGB	
CCOc1ccc2nc(NC(=O)/C(C#N)=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)sc2c1	97964266	SFQWHLGATMCHRK-LDADJPATSA-N	521.440	6.411	50	40	KKGB	
N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	97965714	QLHXDSVEAWAUQR-HMMYKYKNSA-N	557.632	5.632	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(NC(=O)c2cccc(Cl)c2)cc1	97965777	CTSIMRUBRCZMIM-WBIBEUCMSA-N	553.449	7.615	50	40	KKGB	
COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)CCCOc4ccc(Cl)cc4C)c3)c3ccccc3n2)cc1	97965857	KOYDWCOQCXRNPD-BKATUZMVSA-N	621.137	7.824	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	100126823	DUAFXHCWUMYSBL-VTNSRFBWSA-N	599.591	5.367	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)Cc2ccccc2)cc1	100129247	BSFVTZSEZZPYQP-MNBJERMJSA-N	593.547	5.506	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1	100129716	FEQPKEJYXQCEOM-MZFJOGFUSA-N	627.992	5.894	50	40	KKGB	
CC1(C)NC(C)(C)[C@H](Br)C(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@H]1Br	101052025	BURKZZYTUVOTIJ-FGZHOGPDSA-N	558.318	5.675	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C(C)C)cc3)N=C3CC(C)(C)CC(O)=C32)cc1	102506574	CXENVJKWTOWAOE-HHHXNRCGSA-N	515.679	7.096	50	40	KKGB	
O=C(CSc1[nH]c(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	102937857	HMEZHIJVUDFNLB-UHFFFAOYSA-N	555.663	6.671	50	40	KKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1	103876352	BDZWLPNZCKCSRC-MZJWZYIUSA-N	528.859	7.018	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc2ccccc12	103890436	SOIBKELSOWGRGZ-BKUYFWCQSA-N	551.857	8.323	50	40	KKGB	
O=C(CCSCCC(=O)N/N=C\c1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(Cl)c(Cl)c1	104373254	MVUSQRSHLJVFDR-RSKRUZOQSA-N	520.269	5.414	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12	112255496	PRCVQIJSHGTHRD-ZLKSVWBFSA-N	594.498	6.279	50	40	KKGB	
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@]2(CC[C@H](Br)c1ccccc1)[C@@]1(CC[C@H](Br)c2ccccc2)C(=O)[C@]2(C)CC[C@@H]1C2(C)C	150343158	OTDWURFYQOPABZ-IDVQJBDYSA-N	696.608	10.842	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2C)C1c1ccccc1	150370134	YRPKNTQNYABTHO-UHFFFAOYSA-N	650.566	8.278	50	40	KKGB	
Cc1ccc(Cn2c(SCC(=O)N/N=C\c3cc(I)cc(I)c3O)nc3ccccc32)cc1	150601209	DWSUKHWSEBPJQY-PPDIBHTLSA-N	682.325	5.550	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	229906552	IVSAOYOKGQGAQG-HAFKEMCCSA-N	577.710	5.644	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408530828	MUNCFGRPHQWFCP-DPWJMMOYSA-N	519.354	6.577	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(C(=O)O)c1	408541191	BXALGIRNIUPUDI-ZDLGFXPLSA-N	556.210	6.034	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3Cl)c2)c(C(=O)OCC)c1C	408547374	VTFCRMWPVGHGJT-FYJGNVAPSA-N	552.048	6.361	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)ccc1OCc1ccccc1	408550665	GCHHKDLRJDXONK-HTVDVWKISA-N	661.369	8.059	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408552188	HWYRGYRVHZUBJY-WOJGMQOQSA-N	579.053	6.253	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)CC2=O)cc1	408603307	GGZZTQZGVQEVPS-KRWDZBQOSA-N	530.408	5.086	50	40	KKGB	
O=C(NNc1ccc(OCc2ccccc2Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408603321	GHUPPDVIIIYEBT-INIZCTEOSA-N	504.801	5.722	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408711913	QKWQRXDTEUZMML-KVSWJAHQSA-N	648.122	7.102	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1ccccc1Cl	408724642	GOFHKTOWKKGOPN-ULTJBXOUSA-N	519.867	6.357	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1c2ccccc2cc2ccccc12	408730854	JMQHFANIXOJYGV-CCVNUDIWSA-N	544.980	5.351	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2-c2ccccc2)cc1	408741832	SEKGRMWWLPSMJH-PPOKSSTKSA-N	558.594	6.660	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)cc1	408745394	RJRCVZIFPWIQOR-JAIQZWGSSA-N	536.813	6.498	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)ccc1I	408747373	MYECYCPTKPDGRZ-KVSWJAHQSA-N	580.209	5.821	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2C)c1	408753523	JIVINTMZGPSURL-PXLXIMEGSA-N	590.558	7.758	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1OCc1ccccc1	408758425	JTCXZHVBWNAIPT-NDENLUEZSA-N	505.368	5.785	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc(C(C)(C)C)c1O	408763807	KJCREKWQHWLTCZ-MWBNBJEGSA-N	598.571	7.394	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1cccc(C)c1	408787677	DMYIIRROZWEOQE-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408792044	GYNMLYCVQFYIJN-YBFXNURJSA-N	577.249	7.285	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408792466	KBXQVFAXYIEWCZ-SRZZPIQSSA-N	596.706	8.143	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408807514	DBRGMZNSCHVBDH-MHWRWJLKSA-N	536.640	7.534	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1	408815274	IWSSXUNDNRVPJM-JMIUGGIZSA-N	511.361	5.503	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408816014	QPMSLOQEGXAGOB-CPNJWEJPSA-N	518.356	7.179	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408822451	BXXIBQBKASRSCH-WCMJOSRZSA-N	602.496	5.759	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408833850	VSVFYCHCFIOOES-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408834014	SQBINPNMFSVYGO-MTDXEUNCSA-N	637.563	9.557	50	40	KKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408840094	AYVLDTUZOBAXGK-GKEHTTQRSA-N	693.406	8.606	50	40	KKGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408842001	HRJNZKAFXRXGOP-AMVVHIIESA-N	660.921	6.518	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c1	408857469	GXCPBJXEZONVCH-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408861741	CPMFGTHKJHXOHS-ATZGPIRCSA-N	613.567	6.372	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408862971	JVEKNZISPXYHSQ-ZOWVIHBMSA-N	610.947	5.928	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1	408863983	VXPGLCGFHAXFDF-HPNXWYHWSA-N	525.652	6.741	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1Cc1ccccc1Br	408869052	QMCWHLBXSZXDRK-LICLKQGHSA-N	542.227	6.062	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(CSc2ccc(Cl)cc2)cc1	408870965	WHWSYEDSGPDCQW-IPPBACCNSA-N	515.849	7.963	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408877326	UVIYGWSTTCWQRT-RGVLZGJSSA-N	574.302	7.842	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	408877602	WBBDLSZDFRWILB-SREXZBGJSA-N	556.087	6.457	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccccc1O	408880922	KKZUCLHMTCNEJU-GATIEOLUSA-N	632.623	5.598	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Br)c1)C(=O)Nc1ccccc1Cl	408883595	VRPFPAKVKZIZBN-GZTJUZNOSA-N	546.646	6.990	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OC(=O)c1ccc(OC)cc1	408890858	HNTJFIBTHRGVLV-CPNJWEJPSA-N	568.367	5.463	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408891234	NHEUMRCNWFBORT-XDHOZWIPSA-N	620.843	7.327	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	408892072	APLLCSHTSIFHGV-LZYBPNLTSA-N	577.218	6.797	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OC(=O)c1cccc2ccccc12	408894484	QRBLFCHHIGGLPK-DEDYPNTBSA-N	571.383	6.074	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OCc1cccc2ccccc12	408898485	LSPVRZLZYOBWKF-SEBMTOOBSA-N	566.742	7.811	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408903966	BUTYYDJRLCQOJM-PPDIBHTLSA-N	591.256	5.961	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2I)c1	408924167	LSGPCZBGCYQMGO-KKMKTNMSSA-N	683.309	6.167	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408947154	AOIGVPAXODDNEQ-QDTIIGTASA-N	583.253	6.648	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408953034	LITAUOZDIRJNEC-AANYLDBXSA-N	577.419	5.454	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408953249	XFKGZNPIVIOZEF-HHHXNRCGSA-N	716.998	5.475	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N\NC(=O)c3ccc(Cl)cc3)c3ccccc32)cc1Cl	408958434	YTXIJYGFMIKVJL-YNQHOAAXSA-N	580.471	6.268	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cccc(C(F)(F)F)c1	408962912	LARGDMAAURKVSW-IPBVOBEMSA-N	695.173	6.166	50	40	KKGB	
C#CCOc1c(I)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969431	NKKIAKLTKFNFCY-OUQXRLOJSA-N	660.336	5.067	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1C	408970447	HZYYHXUGQLMUIO-JJUWPTJWSA-N	517.457	5.242	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccc(C)cc1	408973122	ZAXPRWSXUNXKHY-IHMSYIQPSA-N	545.680	5.341	50	40	KKGB	
CC(C)COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1	408974009	ULPZNMLKEKLHCH-GPTKXHSTSA-N	501.652	5.302	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Br)cc1	408979790	ONTDBLHHLYEEID-IEDNCLQISA-N	543.465	5.868	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408982224	CTMJLNAGIGNZPG-CHHVJCJISA-N	587.770	6.574	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(OC)cc2)cc1	409004224	BGVLMCPFPKEDNN-LSINUVIUSA-N	550.567	5.306	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1OC	409011880	OTJMNYHWSDKNQF-LPEPFOFCSA-N	672.330	5.324	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1cccc(F)c1	409019196	ZGSLNBQDUIKGDL-DBFSUHOCSA-N	545.792	6.729	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409025124	LWPGGARMZPYTJQ-QCFMCPCVSA-N	630.723	5.091	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1Br	409027155	AXHCCGMFJQUQJI-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccc2ccccc2c1	409089920	NOXNKBCUNVCKCK-FJEPWZHXSA-N	645.291	6.654	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cccc(NC(=O)c2ccccc2)c1	409125365	DACNUFDBBYAHMB-WEMUVCOSSA-N	540.645	5.226	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)C2=C1CC(C)(C)CC2=O	409136517	XBAWRTAISQOWDZ-AREMUKBSSA-N	547.055	5.182	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409146710	SRTGCUAUGXZLNC-QESWDSMOSA-N	517.807	5.264	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c3ccc(F)cc3)o2)c(Br)c1	409154071	MQHZIGLNWRFWIW-JHDYRUHQSA-N	514.395	5.451	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cc(Cl)cc(Cl)c2)cc1	409184316	KJAFKYKPXGWKPK-VTNSRFBWSA-N	627.506	6.135	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(F)cc1	409213601	VCDXWOBZYVTCFH-KKMKTNMSSA-N	537.838	6.072	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2)c1	409218546	FUGODSOQAZTLST-XELUOBABSA-N	613.424	5.992	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1cccc(F)c1	409221460	QQUOMVZCLVCLTK-AIRTYWKNSA-N	570.402	6.192	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1ccc(F)cc1	409221708	UZSKSYRMKSUJLA-KKMKTNMSSA-N	547.450	5.215	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1ccco1	409222969	FQVILCBOPJNVET-UHFFFAOYSA-N	561.978	5.576	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409224117	KNDACKPBNPSIMH-UHFFFAOYSA-N	618.042	5.610	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccccc1	409237055	VKHXBTWUNIAHBD-SJJOQSKNSA-N	678.264	5.957	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1C	409249417	IBYKMALAQINAIK-GIJQJNRQSA-N	651.277	7.410	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409261474	CIRQTQYMPFHCQQ-NDENLUEZSA-N	582.882	6.681	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2C)c1	409262714	JQLUXAIADLJYNO-QDTIIGTASA-N	589.284	5.618	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)ccc1OCc1ccccc1	409315566	JUXFOIHTKRMVFF-MNBJERMJSA-N	510.546	5.315	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1OCC	409315993	WUQOTEBCCHIFJW-UHBFCERESA-N	512.965	5.794	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1cccc(Br)c1	409316519	YSFWOPHGMKWEIC-FCHUYYIVSA-N	507.409	5.273	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1OC	409320761	CHSFSHYMNHNCRC-RHANQZHGSA-N	541.442	5.988	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Br)c1OCc1cccc2ccccc12	409360994	GHSQVDPOBGJHHD-LJUMEUDFSA-N	561.432	5.654	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)c1cccc([N+](=O)[O-])c1	409371258	DPYMRYJJVTXOKN-UWVJOHFNSA-N	539.183	6.635	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409376910	BULQCHYFAMCWDF-PDGQHHTCSA-N	568.399	5.559	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2OC)cc1	409382047	XLSLEVREVUZAGY-AEUUOICLSA-N	686.588	7.115	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(I)cc1	409387574	XANXNWRYWFMQEP-KKMKTNMSSA-N	621.840	6.419	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)cc1	409394432	AHWRWQAGIQWLNZ-UHFFFAOYSA-N	731.828	9.158	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1	409394667	DJQZDJJDXUBBGV-UHFFFAOYSA-N	503.558	6.217	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397494	KLJWMIVRWSTBMZ-UHFFFAOYSA-N	545.954	6.602	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Br	409400607	DTPGIOPBHWQRPF-ROILIRBCSA-N	731.438	7.284	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OC(C)(C)C	409404147	OXUAEQIZXSZTHQ-DLCNMLRHSA-N	687.429	8.131	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccccc1	409404891	RGPQSZFXZHOSEC-KMUKQRDJSA-N	628.523	7.380	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccc(Cl)cc1	409406944	YETNSMXDGONUJD-UHFFFAOYSA-N	627.097	6.710	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCC(=O)Nc4cccc(F)c4)ccc4ccccc34)o2)cc1	409407256	ZEXCNOHZLUCKBJ-XFDYYPNTSA-N	630.676	7.340	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1	1439463	GBLUAQCVHLMSAO-VCHYOVAHSA-N	514.796	6.730	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(F)c1	2170037	BSUGTSVJGVHNFR-LJAQVGFWSA-N	538.623	6.177	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(Cl)c1	2178194	MIKPOGQXSYJDPF-PNQUVVCRSA-N	553.324	5.119	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cccc2ccccc12	2739989	JEJKJTQRXCTEEI-AMBXXVILSA-N	541.080	6.317	50	40	KKGB	
CCOc1ccc(Oc2c(/C=N/NC(=O)c3cc4c(s3)CC[C@@H](C)C4)c(C)nn2-c2ccccc2)cc1	3389388	LOMQJDMADMCRIN-UNIYSIPVSA-N	514.651	6.322	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(Cl)cc1	4196352	ZSGCQLQRISXDFJ-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3cc(OC)ccc3OC)cc2)sc2c1CC[C@H](C)C2	6167538	ZBQDMLDTVZAFEQ-XYIUREKKSA-N	593.702	5.237	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(\C)c3ccc(C4CCCCC4)cc3)cc2)cc1	12562677	SHQJYWIDWUQBPG-MWAVMZGNSA-N	519.667	6.088	50	40	KKGB	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	14128795	SJSNGPPBPYJFKQ-FYJGNVAPSA-N	519.564	6.048	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	20197391	NIMZLVFETRJBEF-MUFRIFMGSA-N	501.410	6.524	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1Br	26123383	GCBDLYNWVYJIHO-LGJNPRDNSA-N	513.189	5.426	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	59117467	PZVYVEPCZBHVJQ-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	97958777	ZBRKSMJZJATGIW-ORXHERTNSA-N	548.382	5.903	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)c2C)cc1	100100242	OQFBDFWRPXDLDE-OCSSWDANSA-N	532.507	7.221	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100127476	GPEOZPLJQCHDOX-OCSSWDANSA-N	539.032	5.232	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(Cl)c(Cl)c1	102016127	KMTQMQOBSHZOHM-KKMKTNMSSA-N	532.474	6.433	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C(C#N)[C@H]2c2ccco2)cc1	102760590	CMZAZJRVDAFHDY-NDEPHWFRSA-N	584.698	6.088	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1cccc2ccccc12)c1cccc2ccccc12	103606150	GFEIKHBKBYMOGC-UHFFFAOYSA-N	556.712	9.297	50	40	KKGB	
CCN1c2cc(C)c(/C=N\NC(=O)c3ccc(I)c(OC)c3)cc2[C@@H](C)CC1(C)C	223575193	URBBLJCWFYWUDM-IMVGLAPISA-N	519.427	5.484	50	40	KKGB	
CC1=C/C(=N\NC(N)=O)[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@H](C)[C@@H]1C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	245239933	NJXPVAVICLRJJI-BLDCVJTKSA-N	545.765	5.847	50	40	KKGB	
C[Si](C)(O[Si](C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1	253574015	SBSQIJZAEUHHOF-UHFFFAOYSA-N	682.561	7.257	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1I	408530790	MRYRTGYPNVMQAV-JQAMDZJQSA-N	631.174	5.264	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Br	408537818	HJLRTHSGSBNRPV-UNOMPAQXSA-N	534.292	7.333	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408543344	QIVXCZHDTKFSAN-GRSHGNNSSA-N	566.364	5.579	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1cccc2ccccc12)Nc1ccc(Cl)c(Cl)c1	408555131	VTZGMMTVENBRDQ-CPDSRJINSA-N	571.258	6.691	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408569173	MCUOHZBKZJXZHB-CCVNUDIWSA-N	618.531	5.953	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408570011	RMGKBINJKMVFJW-MZJWZYIUSA-N	635.505	5.786	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408583985	ZDAXRUVLPQZGFJ-KEBDBYFISA-N	632.882	6.751	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccccc1I	408587600	GJEKMYZBDAZYOZ-JVWAILMASA-N	507.375	5.545	50	40	KKGB	
Cc1c(-c2ccc(OCc3ccccc3)cc2)nc2ccccc2c1C(=O)OCC(=O)NNC(=O)c1ccccc1Cl	408647431	SUHZTPIMEREADA-UHFFFAOYSA-N	580.040	6.061	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408649026	XCPBFRQKOQGVJI-NDBXHCKUSA-N	781.679	6.484	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc2n1Cc1ccc(Br)cc1	408675842	BPNWZSSHIOGCKQ-UXHLAJHPSA-N	515.455	6.125	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1	408742398	ORSRNPFNWBNGJW-YVLHZVERSA-N	502.195	6.881	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)NCc1ccccc1	408746430	DIUSAEFAQWHOQI-GRSHGNNSSA-N	699.124	6.461	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CCSc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751496	QANYCNKLAQFJDG-PAPLDOMISA-N	532.109	7.198	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408790673	QPURKNQHJDRPQE-SRZZPIQSSA-N	610.733	8.451	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408792773	CNBPQPNUSVGTSB-DEDYPNTBSA-N	553.356	5.886	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C)c(C)c1	408802507	YKKRJGGWIZAVSD-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408819708	SLMHTSOZAUUPLU-WDMAJKDFSA-N	585.737	6.495	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)Nc2ccc(Br)cc2)c1Cl	408820035	SROCZFWVYMFMAD-OPEKNORGSA-N	540.201	6.425	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1ccc(C)cc1	408822954	DADFIPRTLNERRO-JVWAILMASA-N	644.509	7.620	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408825076	RHFCCANHXNVEOQ-XQNSMLJCSA-N	563.868	8.350	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2ccc(C(C)C)cc2)cc1	408832464	YWQSYFXJBPXRHV-FHDJVRKISA-N	626.779	5.720	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408836326	PZDVDLBFKHWBEW-SRZZPIQSSA-N	632.758	9.657	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(I)c(OCc5ccc(C(=O)O)cc5)c(I)c4)cc3)cs2)cc1	408838251	CZHFQRQBGRWLCA-QNVXDBMFSA-N	814.443	8.112	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4ccccc4C#N)cc3)cs2)cc1	408838971	LAALMEDQKBVYIA-MWBNBJEGSA-N	622.548	7.839	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408844992	PWSDYIZMZAHXRM-HBHSWBPBSA-N	677.499	7.037	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2cccc(Cl)c2)cc1	408870027	UYMGXVWADUDRGS-XICOUIIWSA-N	598.124	6.726	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c(OC)c1	408876960	SBTIVBPQEHRELF-AWQFTUOYSA-N	541.387	5.511	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)c1ccc2ccccc2c1	408883838	WXDGEEGLDFYCAE-FDAWAROLSA-N	523.386	6.739	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408884214	YAWYAPQKUVZQPD-LZYBPNLTSA-N	587.770	6.052	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccccc1F	408892184	BREQTCUKFATUIG-LZYBPNLTSA-N	550.211	7.028	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408892357	AQXBZHXRSVLGKJ-LUOAPIJWSA-N	631.546	6.979	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCc1ccc(Cl)cc1Cl	408895107	MAGUYTDDWWZNDY-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1Br	408897682	SMGXTNZYOYXHHI-IZZDOVSWSA-N	519.020	6.463	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(C(=O)O)cc1	408899197	ZUOPXCQJKSUUMR-RQZCQDPDSA-N	684.655	6.372	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC	408947947	DXFBUHSTRDCVCB-UNOMPAQXSA-N	541.389	5.002	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1Cl	408968713	BPPCRSMQBMVDHG-QHCDQGGZSA-N	630.967	6.059	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	408969989	YHALAHKKEYJBMG-VOWQLQKVSA-N	590.507	6.218	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1	408989279	TZOCRPXVNJFRCA-ZDLGFXPLSA-N	560.673	7.298	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc(Cl)cc1	408989921	VOZOLENRMISCPI-UCQKPKSFSA-N	521.444	7.554	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)OCc1ccccc1	408990112	MOOOEXJKSPBKNY-YHEDZMPNSA-N	589.483	5.707	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408990181	NCVREQPUACTVIF-UCQKPKSFSA-N	531.996	6.809	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1	408991673	OVIIMHCCQCFSKU-VOMPUTFMSA-N	620.112	6.464	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2cccc(Br)c2)c(C)n1-c1sc2c(c1C#N)CCCC2	409000530	TVYWBOCHAGJPSS-UVHMKAGCSA-N	511.445	5.198	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	409010146	AGCITTOUSLSKGX-ZRVBRWCDSA-N	664.222	6.532	50	40	KKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cc2cc(Br)cc(I)c2o1	409012236	JZHVLGWWGMXTNX-KIBLKLHPSA-N	607.158	5.659	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)cc1	409027901	FZCXIVTZORXLCG-OCSSWDANSA-N	556.471	6.161	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409031196	GSGKAFZTCYRQRB-FZKWRIDDSA-N	581.028	7.205	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OCc1cccc2ccccc12	409036990	WVQKBFXSTVDFQE-UXHLAJHPSA-N	564.423	6.115	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc2c(c1)OCO2	409039832	WXFWQMKSRCAFIE-DLCNMLRHSA-N	610.464	6.745	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1cc([N+](=O)[O-])ccc1O	409045588	ZNMIYJOVBBCZKK-BHGWPJFGSA-N	549.175	5.168	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409077212	DLBHAEASEUDLFI-RIYZIHGNSA-N	529.292	6.156	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cccc2[N+](=O)[O-])cc1	409219951	RYXKSTHOIBTIKF-HWQCAHDGSA-N	654.632	5.264	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409221883	BNSPRHCOGBKGGC-VAEUAOKGSA-N	609.551	5.147	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1OCC	409225115	PAOATPHXFNSXCY-MUXKCCDJSA-N	546.363	5.682	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1OCc1cccc2ccccc12	409230146	WZTCDJOKOFFKSG-MGVXIEOLSA-N	516.641	7.330	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc2ccccc2c1	409250531	QVDLUVILZORVIN-LJUMEUDFSA-N	535.413	6.412	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)c1	409255873	JEMOIFOOJBKBBF-PPDIBHTLSA-N	535.225	5.846	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409264115	JYFJZNSOCVZNEC-NVJOKUIPSA-N	612.251	5.696	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)c(C)c1	409265249	TZFBDNJXKXYJMV-SRZZPIQSSA-N	522.432	6.790	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccccc1	409306274	ZGJNBGBOELCWCP-HQDYHJHZSA-N	654.476	6.760	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1OC	409311082	DIPVPUUNZYEYDR-NUJZUDFISA-N	519.812	6.563	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OCC	409311553	HAEMVJKKCNVJIN-UHBFCERESA-N	540.016	5.236	50	40	KKGB	
C#CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OCCC)c(OCC)c1	409322814	XZHUYMNWKYGJCZ-QFEZKATASA-N	538.236	5.175	50	40	KKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409358825	LNBLFZSQTHKWKV-VYVUJPJFSA-N	698.101	6.483	50	40	KKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1	409379493	YHFPGPJURNGYMR-WCMJOSRZSA-N	518.976	5.668	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc(C(=O)O)cc4)c(Br)c3)[nH]c2c1	409392875	SRXQZTPNUDUZMJ-IUXPMGMMSA-N	583.236	6.438	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)c1	409394449	ANVLUSVUPASFRB-UHFFFAOYSA-N	636.424	7.608	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409394792	FXCBDQSTQYIBQM-UHFFFAOYSA-N	730.196	8.379	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccccc1	409395459	NWCRFIJXDLNUQP-UHFFFAOYSA-N	651.742	7.996	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409398881	WAVWEADBVGMRJS-UHFFFAOYSA-N	561.947	7.490	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1cccc2ccccc12	1529548507	HVILYHHYSWWNIL-IZSLUBRHSA-N	648.785	6.032	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)n1-c1ccccc1	2096775	JBGXMQBDTKGRQN-RIEVZBIQSA-N	597.144	7.264	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1	2670156	NYKPURAUZQLTMJ-QGOAFFKASA-N	520.969	7.190	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)CO/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O	3168601	QWBTYMSAWYSVIV-WMFSDKRHSA-N	537.745	6.789	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1c(F)cccc1Cl	6166463	YMPMIMIWGPSZTD-SKAOAKOGSA-N	583.085	5.674	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(O)(c1ccccc1)c1ccccc1	6474189	YOXBHEGRHHMRFG-JBFMKSPFSA-N	582.103	7.851	50	40	KKGB	
COc1ccc(CN2CCCN(Cc3ccc(OC)c(OC)c3)C2c2ccc(N(CCCl)CCCl)cc2)cc1OC	19325101	CWZWLZWZAVOFNY-UHFFFAOYSA-N	602.603	6.412	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	20195225	IGEAXLRPBCYLCA-AMVVHIIESA-N	519.856	6.934	50	40	KKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c1	40486438	UREZOFSTLOSAOS-RUZDIDTESA-N	506.071	6.394	50	40	KKGB	
COc1cc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)ccc1O	97939461	DOYQSHHQBRJYON-RWPZCVJISA-N	542.448	5.588	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\C=C/c3ccccc3[N+](=O)[O-])n2-c2ccc(Cl)cc2)cc1	97939487	MWDWNRGLFYAGDB-QVHQSQFKSA-N	533.013	5.712	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(c2ccccc2)c2ccccc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	98000339	KVGLDLBHOQZZHE-GDLZYMKVSA-N	556.087	6.863	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1C	100130136	RWXGKYALDUMTOQ-QXPFVDMISA-N	542.705	5.095	50	40	KKGB	
CC(C)(C)c1cc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc(C(C)(C)C)c1O	100852228	AYUODPFDSJVVRX-QDTIIGTASA-N	563.214	7.027	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)OC(N)=C(C#N)[C@H]1c1ccccc1Cl	102401463	NPPNOXXMGWXSFU-AREMUKBSSA-N	604.157	5.740	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	103871613	JOOJARQHDZINQG-FZPRHHONSA-N	554.647	6.114	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(F)cc1	103884463	RLUXDYLBIYNFKW-BWAHOGKJSA-N	560.467	6.151	50	40	KKGB	
FC(F)(F)C(F)(F)/C(=N/Nc1ccccc1)SS/C(=N\Nc1ccccc1)C(F)(F)C(F)(F)F	104046001	YFKHUYJUZBVUFB-ZCGSTTEMSA-N	538.436	7.614	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	105116278	PHUXMAGDINPGGM-CAOOACKPSA-N	550.667	7.842	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341807	BOFQIALCWQXJFH-GOSISDBHSA-N	998.472	15.602	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	150481200	BUWSLSBTIOWUFE-JRZNSJKLSA-N	753.730	6.670	50	40	KKGB	
C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	195955925	MDDUHVRJJAFRAU-APHQUAPLSA-N	582.914	9.058	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408535132	XRKXEUQKKULBDR-INRUPRTJSA-N	654.108	7.678	50	40	KKGB	
CCCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Cc1sc(C(=O)OCC)c(C)c1C(=O)OCC	408546292	GCWDCDCOCZKEAX-LTGZKZEYSA-N	533.646	6.461	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550853	KJHZIGCHZKBNIZ-WOJGMQOQSA-N	583.426	6.367	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408642232	MEWDMWAPLSZDLG-FQEVSTJZSA-N	578.767	5.575	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408673221	QJAMDCFEHZPDQC-YVSFHVDLSA-N	570.665	5.027	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408676192	AIYPNGMAMCVDLO-JNYDFHNISA-N	646.119	5.237	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408682088	IPCSVBIEJVTGKZ-TVFCKZIOSA-N	634.108	5.381	50	40	KKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1	408691650	KCHPGMPUGCPIEA-JAIQZWGSSA-N	522.830	7.037	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408745096	PIPFFNVUIOBOFZ-UNOMPAQXSA-N	526.228	6.645	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408745610	UEMYLQUMRBUKMB-NVMNQCDNSA-N	571.225	6.553	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408749801	UNLARLGCBPXJPT-VULFUBBASA-N	643.297	5.292	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1cccc2ccccc12	408758691	PGECRNSHGIQKKS-MTJSOVHGSA-N	639.287	7.340	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408761698	AZGVGFMXVLWPQQ-WJDWOHSUSA-N	592.220	6.161	50	40	KKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(C(C)(C)C)c1O	408762144	CYEHYQPWNXTOIP-MHWRWJLKSA-N	502.396	6.137	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1	408767821	PEUYZWBKFVBQPG-OVVQPSECSA-N	504.439	5.314	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(OC)c2)c1	408782215	GBWODCHLPBVPGX-UNOMPAQXSA-N	540.357	5.433	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1	408791689	AXILLRCMQQUSFW-YBFXNURJSA-N	649.254	6.494	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408813073	DRHHFKNFBPPEEE-UUYOSTAYSA-N	521.411	5.577	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)C(c1ccccc1)c1ccccc1	408817869	OFGMNVXFGOFUGL-FDAWAROLSA-N	578.304	7.073	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1cccc(F)c1	408818125	XYNLADWRGWPIPB-ZDLGFXPLSA-N	560.338	6.093	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408821449	HNDZNNJTFSCQKU-BUVRLJJBSA-N	652.372	8.858	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408823994	GLJQEKXXQWZLFZ-WSDLNYQXSA-N	672.790	9.122	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2ccc(Br)cc2)cc1	408832461	YVXABGIQKFBZGW-OCSSWDANSA-N	562.489	5.355	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc2ccccc12	408836376	QQYZFVOCVQWYOI-HQDYHJHZSA-N	635.529	6.220	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1c(C)ccc2ccccc12	408837121	YZVVLBOAYYQNAF-ZTKZIYFRSA-N	603.118	8.904	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4cccc(C)c4)cc3)cs2)cc1	408839135	NQXBTMYPWXJLHQ-FABQOPTDSA-N	611.565	8.276	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408840123	XRTSEGARBFBSBS-FABQOPTDSA-N	606.462	6.636	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(Br)cc1	408840222	CNGLBZGPTLZPON-ROPCREHHSA-N	633.490	7.339	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408840433	YSKWAUMVOOXVQK-AABVJFSESA-N	739.979	8.071	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408842250	JPLBOYQFNUKFQB-JJKQSNDFSA-N	579.431	7.484	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)cc1	408843546	FXYGWXYNKYWGBU-STZFKDTASA-N	512.031	5.064	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2C)c(Br)cc1OCc1ccc(Cl)cc1Cl	408846661	RFNIMQFEYLMYKW-GIJQJNRQSA-N	639.171	8.350	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	408850581	OJZXWHWGJBMGKC-RHKOWXKBSA-N	600.675	7.441	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c2ccc(C)cc2)cc1	408862743	ISYVSNQXFXFPFY-BIZUNTBRSA-N	594.158	6.295	50	40	KKGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408862820	MNMXBIHMKHCXME-UXHLAJHPSA-N	579.034	5.173	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OCC	408870339	VVJWGHUNPMILLK-LDADJPATSA-N	502.352	5.363	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1	408872414	MWLQCWWYLFDABF-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	408873620	TYVBAHUKXQCWMY-FMFFXOCNSA-N	556.732	6.180	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1Cc1ccccc1Br	408874545	DLSDMJOGBPTXFM-XDHOZWIPSA-N	587.255	6.589	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cc(Cl)cc(Cl)c2)cc1	408884203	SZZZXQCOOAYGSN-KVAAJVFYSA-N	659.979	6.318	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408890497	UROXLMFSXHURDR-DEDYPNTBSA-N	535.394	5.930	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(F)cc1	408895799	LYHDDDHLFWFZNL-GIDUJCDVSA-N	595.208	6.936	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCc1ccc(Br)cc1	408904496	KJLOJVTYPWOZRG-PPDIBHTLSA-N	581.692	6.917	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)c(C)c1	408906794	KLRXIUSOQOPDCP-OCSSWDANSA-N	524.017	5.156	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408907607	NZSQZVYQDGUWGF-ZRGSRPPYSA-N	569.324	5.363	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OS(=O)(=O)c1ccc(OC)cc1	408926877	YXAWCAISUKEURF-MHWRWJLKSA-N	592.413	5.622	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(Cl)cc1Cl	408942119	FTZPSVGUZIRHRV-NDEPHWFRSA-N	736.472	6.229	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccc(C#N)cc1	408945895	LTRBMXSVLSDDIP-MUUNZHRXSA-N	697.011	5.438	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408955140	SSCZEJIMRIJKGA-QRVIBDJDSA-N	572.406	5.489	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408974108	XHGOKEZPJNVWAM-QLWOKORESA-N	558.462	5.046	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1Cl	408985089	VBRSNUUSFONWKS-NVMNQCDNSA-N	607.673	7.140	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	409001201	VIMPKISATRFKNH-JMIUGGIZSA-N	678.264	6.336	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409021125	YERHHWHKKVWZOO-IURWMYGYSA-N	802.201	6.893	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)Cc2ccc(Cl)cc2Cl)cc1	409054443	ACHLIOLIQBCGFE-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1	409059145	UITDXSREERPVMA-VCHYOVAHSA-N	515.780	6.558	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409064151	BYJHOFCDXMTMEX-LFIBNONCSA-N	596.286	6.468	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1	409072851	LKLWTIMWHLLILW-HYARGMPZSA-N	502.954	5.900	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OS(=O)(=O)c1ccccc1	409073119	XIYPSVLDLFLCMS-XQNSMLJCSA-N	502.592	5.354	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc(I)c1OCc1ccc2ccccc2c1	409078782	DAAURVYCONXNRG-BYDMSBDESA-N	743.396	6.435	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	409133042	QHJSLQWQZJOEDT-VPUKRXIYSA-N	558.314	7.271	50	40	KKGB	
O=C(CSCc1ccccc1Cl)NN=C1CCC(=NNC(=O)CSCc2ccccc2Cl)CC1	409182400	LIAAVPGWQHVJLP-UHFFFAOYSA-N	537.538	5.678	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1cccc(Br)c1	409190304	RWHIHHZFKJCWOE-BRJLIKDPSA-N	567.075	6.317	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(F)cc1	409222617	CLIRGMPLKGCDQS-FPJJECCMSA-N	570.402	6.192	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409226435	WEHCBILJUCIIIN-UHFFFAOYSA-N	610.881	7.281	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409228933	HJJJZHKYMUOGLQ-STZFKDTASA-N	566.427	5.270	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)c(OCC(=O)Nc5ccccc5)c(Br)c4)cc3)cs2)cc1	409254710	FDPGXXVNPIURGF-QMRORBIVSA-N	719.459	8.169	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409259332	YUJGVMWBTFREOU-GIJQJNRQSA-N	592.401	7.283	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1Cl	409259878	GYHQHHAEHJHVNT-PXNMLYILSA-N	549.241	7.172	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1cccc2ccccc12	409310758	WKIDLXVJIJEHHK-DBSPGSINSA-N	639.546	7.932	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)cc1OC	409310761	WKTTWWARVMQHGN-MWLSYYOVSA-N	552.425	5.112	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1OCC	409315446	VJURCXGRUNNBBY-NUJZUDFISA-N	610.730	7.005	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	409369431	NKJZJZJXTWOVFT-LUOAPIJWSA-N	590.272	5.550	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(I)c1OCc1ccc(Cl)cc1Cl	409383806	IICYBLZMVYKLJI-VFLNYLIXSA-N	629.278	6.357	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Br)cc4)c(I)c3)[nH]c2c1	409392565	QVIYIJSALXTWMY-YVLHZVERSA-N	586.227	6.582	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(OC)c1	409396625	ZMOXULIDYBIPNG-UHFFFAOYSA-N	602.474	7.532	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C)cccc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409399288	YZUPHDKEITUNIG-UHFFFAOYSA-N	626.065	6.722	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4ccc(C(=O)O)cc4)ccc4ccccc34)o2)cc1	409403206	MDUOXJVRLWGSEG-GLJXUZQSSA-N	613.670	7.460	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(Br)cc1Br	409406435	WTONGPQTXQROOO-RPHGGDOWSA-N	820.760	9.559	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)c([N+](=O)[O-])c1	409406763	CLYNVQROPCOEGI-OHUYPAJKSA-N	581.629	6.354	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)Nc1ccc(Cl)cc1	409406902	XYAWTVOVVIDKQG-KOKCXWAISA-N	657.123	6.718	50	40	KKGB	
COc1cc([C@@H](CP(c2ccccc2)c2ccccc2)N[S@](=O)C(C)(C)C)c(P(c2ccccc2)c2ccccc2)cc1OC	1857795241	XVKDXVRFGFPCPB-KVEOBBMSSA-N	653.765	6.688	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1	1767467	GPCMEYDLSVHEND-CXUHLZMHSA-N	559.272	7.609	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)n2-c2ccc(C)cc2)cc1	1831664	FEFVZVBROKEBJY-CCVNUDIWSA-N	510.450	6.100	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)SC(N)=C(C#N)[C@H]1c1ccccc1I	2056311	POUFCCDEEOOKOR-HXUWFJFHSA-N	588.496	5.309	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2604840	LWXNLNXICBTMCK-FADJLKOXSA-N	575.738	7.575	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(CCOc3ccc(C(C)(C)C)cc3)c3ccccc23)cc1	2769294	UWUPRKDQYVFCIZ-BSYVCWPDSA-N	507.634	6.962	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Br)cc1OCc1ccccc1	4047781	BUTOEEVIVQPAOW-OCSSWDANSA-N	532.438	6.208	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(F)c2)N1	12250455	MJQMMPQOKYWASU-RUZDIDTESA-N	502.571	5.434	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1Cl	20028763	CGPSJFPBZBFJEB-VWLOTQADSA-N	526.058	5.214	50	40	KKGB	
CCN(CC)c1ccc([P+](CC)(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1	97983193	OBNBFEJWUWVHJG-UHFFFAOYSA-N	504.723	6.539	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	100104543	WFDGYWRWOOSHJE-FDAWAROLSA-N	552.483	6.461	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100225434	ZPTVYTPMNVLKSK-ZMOGYAJESA-N	529.303	5.220	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3c(O)ccc4ccccc34)nc3sc4c(c3c2=O)CCCC4)cc1	100852527	DMCVHUPSUVXCFL-ACXHZZMFSA-N	554.697	5.736	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2ccccc2c1	103884528	NXYFIQORPZHNKU-OFWBYEQRSA-N	592.537	7.166	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342012	QPLNVGKFCUIPLI-UWTATZPHSA-N	642.009	7.752	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342161	XDQYXPJOYBSLOB-REOHCLBHSA-N	942.051	11.564	50	40	KKGB	
ClCCN(CCCl)c1ccc(C(Cl)(c2ccc(N(CCCl)CCCl)cc2)c2ccc(N(CCCl)CCCl)cc2)cc1	150370493	LLSVOUPEJWBKOX-UHFFFAOYSA-N	698.821	9.069	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	150385248	SIFGQZVSPBUWQK-QLQYKETESA-N	631.585	7.560	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Cl)o2)cc1	150386655	RBPQWHIAPXSDHU-CNCDYAKUSA-N	633.941	6.028	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	150652351	HYZJOIRNOHFITK-IUXPMGMMSA-N	684.655	6.372	50	40	KKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@H](OC(=O)c6ccccc6)CC[C@@]5(C)C3=CC[C@]12C)OO4	257349573	OZOBOQMZNAZDEM-IVSYMHHHSA-N	530.749	8.258	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408534561	WAPITQNSRSZBKP-KVSWJAHQSA-N	521.242	6.206	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)cc1OC	408581477	IKXYWPBBWXXBPP-LICLKQGHSA-N	579.266	6.061	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCc1cccc(F)c1	408581543	XSPAZZGMPXHTJF-GIJQJNRQSA-N	564.192	6.845	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408608719	IJPNDSUJMQBIJP-DXRBVMPTSA-N	514.409	5.299	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408641527	COGWKLUSDURXKG-MCBCHBBLSA-N	566.268	5.692	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408725086	GWDHZPHAWILMHN-UNOMPAQXSA-N	552.381	5.889	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccc(-c4ccc(Br)cc4)o2)c1)CCCC3	408729343	AYTBZQKMSNQSAF-ACXHZZMFSA-N	587.499	6.421	50	40	KKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2-c2ccccc2)cc1	408732029	OGZJBZIMOCRJIB-RSEYIHLLSA-N	630.704	7.216	50	40	KKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3cccnc3)c2-c2ccccc2)cc1	408732619	SQWWRCHOTYMYMD-HWIUFGAZSA-N	500.558	5.757	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3cccc(F)c3)cc2Br)cc1	408744578	MDNXJYHEVRAGGY-UNOMPAQXSA-N	525.374	6.120	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408752313	HSULSAAVMZQHRN-ZROIWOOFSA-N	506.172	7.065	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408754075	DDMWFJKITDKMHF-PDGQHHTCSA-N	714.319	5.916	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccccc1Br	408761215	CZHTVHNYVABVDF-FMIVXFBMSA-N	517.133	5.925	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(I)cc1	408784147	SPXNJBIWTUZILT-WGOQTCKBSA-N	508.363	5.253	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)c2cc(Cl)ccc2C)cc1	408786604	LGQZIHOFPBGVTD-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1Br	408787333	XZBNUGGZQKLKCD-JAIQZWGSSA-N	570.281	6.962	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1cccc(F)c1	408788917	NBOVMOTUFGFRKF-RQZCQDPDSA-N	515.766	6.375	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408791573	YWOJQSDKLGNDQN-VCHYOVAHSA-N	623.274	7.130	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408795419	MHFAPDDWLAFMRC-XDHOZWIPSA-N	552.381	5.889	50	40	KKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C	408823076	DLGZHAMBCDGVOG-AFUMVMLFSA-N	591.922	8.967	50	40	KKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1C	408823342	DZCYGODCVLZOQS-ZTKZIYFRSA-N	573.092	8.814	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cc(C)cc(C)c2)cc1	408829986	QRLMFTDSEIYSKZ-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)c(OC)cc1Cl	408835735	XWZSNHRCOIUQMB-REZTVBANSA-N	649.825	6.003	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	408838353	VIBNNXIJCIOUMZ-BNTJEKIXSA-N	646.769	6.102	50	40	KKGB	
O=C(NNC(=O)c1ccco1)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408838464	FONUSQIDWPVPKH-UHFFFAOYSA-N	518.776	5.237	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC	408840411	BFKINHFTJHNABI-FJEPWZHXSA-N	599.938	7.531	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408847841	VYSFLJZQNLPORX-QJOMJCCJSA-N	689.017	6.914	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cc2ccccc2o1	408848503	QUIBYXLSTZIPAI-ZMFRSBBQSA-N	528.200	6.301	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408849836	ZNERCCGDNZZCIA-KKMKTNMSSA-N	521.242	7.107	50	40	KKGB	
Cc1ccc(NC(=O)Cn2cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)cc1	408854977	BNYMMWXHPQQSFZ-NUJZUDFISA-N	529.394	5.861	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)ccc1OCc1ccc(Cl)cc1	408861787	ANSSUMGFLBDHNB-QXUDOOCXSA-N	638.211	6.694	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1Cc1ccccc1Br	408870409	VLVSKXIGXOQRSE-WOJGMQOQSA-N	666.151	7.351	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408870739	WQVBPHNEYGUOSI-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Br)C(=O)Nc1cccc(C(F)(F)F)c1	408876810	OAKDUWQOVRLEIA-WOJGMQOQSA-N	564.199	7.367	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccc(F)cc1	408881351	KTQFLMJIALVXSR-KKMKTNMSSA-N	544.402	5.559	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408884581	XPROQGYDYAWALC-MKMNVTDBSA-N	551.169	6.973	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1	408886322	GEGUCAMGEHQXNW-XMHGGMMESA-N	541.423	5.470	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Cl)c1OCc1cccc2ccccc12	408886812	MJQTXDDWRHSAHN-KBVAKVRCSA-N	502.998	6.552	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1	408890227	QAVXZLWDIWOMOV-SRZZPIQSSA-N	509.831	7.152	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cccc(Br)c1	408896511	NYCRRBLCUXNFOC-KBKYJPHKSA-N	512.618	6.752	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1C	408925843	UFGFHWJAOBPOHO-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(C)cc1	408965965	YBRKHMFSTNUSOU-VFLNYLIXSA-N	521.333	6.128	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408970284	FGXFQCXBJFZWFF-RNWXLMEFSA-N	586.516	5.826	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCC(C)C	408974064	WQRCUDLLXDYUBZ-RLZJOTEYSA-N	679.439	6.835	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1	408988379	QPCHIAPXQXBWLA-WQRHYEAKSA-N	607.673	7.140	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	409015122	NWDKPIWRADWFDR-OSSVAFEUSA-N	614.570	6.728	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1OC	409015314	OPBSJIXWLAZZET-VEHYKRGWSA-N	569.283	5.071	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	409024848	YAEJFYHBIXIVJV-YNFMAFFXSA-N	681.243	5.691	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc2ccccc2c1	409040190	XYMXMIRREGKBKD-DBSPGSINSA-N	616.515	8.169	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1cccc(Cl)c1	409047333	MHRKNLDPZUWRAU-FABQOPTDSA-N	556.449	7.560	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1nc2ccccc2[nH]1	409048700	UQJDLPMLUKGNRU-CXUHLZMHSA-N	543.646	7.384	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)c(C)c1	409059281	VWOZECOFRGOUKN-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	409074752	RFRLKGKFMUMRHC-LFIBNONCSA-N	503.363	5.315	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1	409075693	TYVCLDMXQXQVGI-LICLKQGHSA-N	521.809	5.638	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409093103	XMYNTQPLCDDVJH-OQLLNIDSSA-N	517.847	6.614	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409143852	NREWEKVCLPIQDM-RUZDIDTESA-N	526.464	5.955	50	40	KKGB	
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	409184406	WRZLDUIMZQQDSV-UCDDGIFISA-N	658.299	6.171	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)Nc1ccc(Cl)cc1	409186385	BGQVJWVQJZJCKC-ROTLSHHCSA-N	537.639	6.600	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	409186416	BUKTYFZCAOTMBW-GOJREDGKSA-N	574.105	8.973	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)cc2c1	409187137	MPWOJPCAJRNRPL-UVHMKAGCSA-N	646.350	5.817	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)cc2c1	409188381	YUOHGHAIOJWCGK-NUJZUDFISA-N	513.377	6.490	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc(I)c1OCc1ccc(C)cc1	409193862	GHMSDLCRHYTRPC-ACXHZZMFSA-N	590.417	6.851	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1cccc2ccccc12	409200955	KQUJEPVGZFPHKW-WCMJOSRZSA-N	583.935	7.476	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409219613	SFZZXIRYTGKTRZ-LNADQZHESA-N	726.765	7.408	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC	409222461	CWXBPUDGERWQRO-UHFFFAOYSA-N	666.912	6.364	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409225614	RKBPHBKCSQVOFD-UHFFFAOYSA-N	587.386	5.593	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1	409225921	SXCIWZYCDXNSBW-YBFXNURJSA-N	538.387	5.652	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cc1	409226878	XPVOMEUCXMGBML-UHFFFAOYSA-N	616.424	5.422	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1C	409259308	YQWXILSTOKAYAO-KULFSUQXSA-N	689.035	8.368	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409259667	CFFFBSGCNRRWTC-YPXUMCKCSA-N	632.092	6.778	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409266210	PTWUSGJGENASQL-YVLHZVERSA-N	555.374	5.863	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409272032	XUSXAQGFIPFWPI-XAZZYMPDSA-N	693.177	7.111	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409309135	BZKAEYUKMSKQIH-LUOAPIJWSA-N	587.095	6.870	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409315371	IMCWKTKNWIMCOE-FDVSRXAVSA-N	585.893	6.366	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)ccc1OCc1ccccc1	409315373	VDFKGUWNTANQQU-BJUCDSOZSA-N	658.774	7.796	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1OCC	409318225	XTJLSKGQAOORES-NUJZUDFISA-N	594.275	6.491	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1OCC	409325155	XETFEXKKVOSBPZ-NTFVMDSBSA-N	556.413	5.888	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(I)c2)cc1Cl	409337924	ZPGRBQGMCMDSEY-WCIBSUBMSA-N	517.548	5.267	50	40	KKGB	
O=C(COc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1)Nc1ccc(F)cc1	409364464	PRRYAWSHZKGSGH-KVAAJVFYSA-N	600.075	7.128	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409371885	BDQDZTSVTUQWSJ-ZRGSRPPYSA-N	626.099	6.154	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(I)cc1	409373097	QTNDHVHTIRLOKN-VYYCAZPPSA-N	685.256	5.475	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(I)c1OCc1ccc(Br)cc1	409376808	DBMVIJUWORBNBP-UVHMKAGCSA-N	594.247	5.204	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1	409380983	CKNJCXZTVJLRDC-GRSHGNNSSA-N	529.232	5.886	50	40	KKGB	
O=C(CNC1CCCCC1)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409384274	CGHOPLWGMDASGF-KKMKTNMSSA-N	602.165	5.926	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Cl)Nc1ccccc1F	409386883	OFKOTPVZLHEGEI-VPUKRXIYSA-N	670.660	6.374	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396256	IJAPGFDGGYYCBL-UHFFFAOYSA-N	598.055	6.887	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccccc4c3-c3ccccc3Cl)cc2OC)cc1	409396720	AKJRFVASKQQCSE-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398007	QBBQKACFSRQNLH-UHFFFAOYSA-N	648.499	7.159	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)Nc1ccccc1	409401982	IUTZFSSVWLPMQG-AEVGBRMKSA-N	750.444	7.581	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(=O)Nc1ccccc1C	409403758	NSQZJYAYSQJPNO-DBSPGSINSA-N	620.706	6.755	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1cccc2ccccc12	409404708	QRXNFCPSQSUPOA-PQKVGRGHSA-N	658.711	8.069	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccccc1C	409405085	SBENUGWKEFQVIP-UHFFFAOYSA-N	685.575	7.127	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4ccccc4C#N)ccc4ccccc34)o2)cc1	409407374	ZNIBVSZEYAKYHZ-PQKVGRGHSA-N	594.671	7.634	50	40	KKGB	
CN([C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1)[S@](=O)C(C)(C)C	1857795147	OXKQVVRQBFJWJZ-KKMSLZIYSA-N	619.836	9.027	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1	1790122	QRNWTAZWVSYATF-JSIHEXFSSA-N	522.399	5.653	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc2ccccc2c1	2097828	GYLDTQNRPKTEJS-DSWROXKMSA-N	596.498	5.465	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1cccc(Cl)c1Cl	2698163	CQMHWKYETDEYGM-KKMKTNMSSA-N	562.280	5.641	50	40	KKGB	
O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1ccc(F)cc1	2739020	GPKUDGUMFDSFPB-KBVAKVRCSA-N	510.598	5.414	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl	3146641	YPBBWGCJEABPSS-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	8818347	MLIHSBNVBFCDBH-TWKHWXDSSA-N	513.667	5.873	50	40	KKGB	
COc1ccc(OC)c(/C=C/C(=O)OCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)c1	13095848	JCROCPZSOULQDU-ZWAXILBKSA-N	512.484	5.346	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl	15982166	YXSRGKAZDPKNFM-LFIBNONCSA-N	510.402	6.693	50	40	KKGB	
C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O	43215345	JCIYFFNGTHMEDE-ACNLXHMGSA-N	529.888	6.298	50	40	KKGB	biogenic,in-vitro
O=P(O[C@@H](CCl)CBr)(O[C@@H](CCl)CBr)O[C@@H](CCl)CBr	95704264	PJNLXXROLSYGPE-IWSPIJDZSA-N	564.260	5.151	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc2F)cc1	100124075	QJUGFXXFQGFBQE-KBVAKVRCSA-N	536.604	5.026	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	100128409	XAHJSLAJVQDUIB-RDRPBHBLSA-N	565.493	5.202	50	40	KKGB	
CC1=C(C#N)c2nc3ccccc3n2[C@H](O)/C1=C\Nc1cccc(N/C=C2/C(C)=C(C#N)c3nc4ccccc4n3[C@@H]2O)c1	100927381	QKPXRAGTEDXSSD-KDTKPWGMSA-N	578.636	5.981	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1	100988395	LXTHIEOZYOVCKH-IVYNLYIOSA-N	606.851	7.186	50	40	KKGB	
Cc1ccccc1N1C(=O)[C@@H](Cc2cccc(Cl)c2Cl)S/C1=C(/C#N)C(=O)Nc1ccccc1	100988760	VFLGSBRRTHXTHJ-NILAOQAMSA-N	508.430	6.367	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	102932926	CCPSEIQDCKIULT-UDWIEESQSA-N	562.807	7.289	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	103900622	BTCDAHUINLNITF-OKCVXOCRSA-N	572.887	5.286	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)c(C#N)c1C	110259544	OLIJGBIWOYPPHX-AWQFTUOYSA-N	544.585	5.140	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1ccco1	112254514	PMSXTRUNGSVJNO-YUDSARSASA-N	537.575	5.399	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)[C@H](Br)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(C)C	118932031	OQIQFVJQPICULU-MCBCSFOTSA-N	523.596	7.592	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)N(CCCl)CCCl)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)N(CCCl)CCCl	118935687	RWHNPJRLKOXYHE-PHSKYTGLSA-N	628.509	7.599	50	40	KKGB	
CC(C)(C)[C@H]1COC(c2cc(C(F)(F)F)ccc2P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)=N1	139203023	FIQFFQBQQIDYQG-HSZRJFAPSA-N	591.454	7.693	50	40	KKGB	
CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341916	SMRQCFYUXDTSON-FQEVSTJZSA-N	976.519	15.747	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(C)cc2)cc1Br	150462957	NFWMTPRQSKUTKD-MHDJOFBISA-N	678.436	6.826	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	150481233	NZEVPLOBMDHUBZ-KVAAJVFYSA-N	720.657	5.015	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795361	RPQGFPDJYAOIFK-GHMZBOCLSA-N	944.155	12.312	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	408538613	AMJUDHLUJHMUDA-LMOHNTGSSA-N	695.610	8.357	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCC	408541409	ZKIDBVXGUDIQIO-XQNSMLJCSA-N	513.476	6.810	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OC	408583277	TVVXQSPMSFYONG-LICLKQGHSA-N	564.841	5.960	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	408650251	LZVVTXUSGXRVRJ-ZSKNINJNSA-N	657.186	5.708	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408726077	OTDXABGUAIEOGC-RGVLZGJSSA-N	511.803	5.913	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)cc1	408745046	OZLPJRMXOCCNMB-WQRHYEAKSA-N	637.699	7.230	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746662	VCSQCDSJPUNBNI-PXNMLYILSA-N	638.643	6.740	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408749466	HAMIYMAKAFGUFN-KYHGBAKBSA-N	767.199	6.624	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(I)c1OCc1ccccc1	408760318	WPJQAWSZRDGIAV-WOJGMQOQSA-N	589.227	6.187	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408762658	FPNQWDPRHXPTOB-FJEPWZHXSA-N	646.425	5.478	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408764365	MLEGSCPOPUUNGN-XKZIYDEJSA-N	562.420	6.609	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc(F)cc1	408764544	JEUCQBDKTTZHMB-MFOYZWKCSA-N	607.217	6.326	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	408771567	HISXVGOHVVLUMS-YZSQISJMSA-N	534.863	5.147	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccccc1F	408795073	KAEGDDLOMXYHKC-GIJQJNRQSA-N	576.793	6.525	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408797791	SRKHFMXXHGNEJU-UDWIEESQSA-N	616.839	6.255	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1	408798826	XJONFLCMUAXJSA-VCHYOVAHSA-N	682.227	5.946	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1	408798949	XQMFOXUYCXGHNL-VCHYOVAHSA-N	591.218	6.626	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccccc1F	408806735	BDAXPHBABBWBDX-MOSHPQCFSA-N	509.350	6.580	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408812210	CRXFFKFITRDZIH-GRSHGNNSSA-N	593.248	6.409	50	40	KKGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408832636	YBVQHMUIWHEXAR-XCBCZPISSA-N	564.263	6.516	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408837895	PKAAAVFAGBLJRC-UVHMKAGCSA-N	540.856	5.309	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccc(Cl)cc5)o4)cc3)cs2)cc1	408838405	FGUGAHSWBVZICV-OKCVXOCRSA-N	513.022	7.539	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccccc5)cc4)cc3)cs2)cc1	408838938	KMEFPFLSUBGIIZ-BIZUNTBRSA-N	518.642	7.205	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1ccccc1Cl	408840922	DPXRLUKLIJLZKM-FABQOPTDSA-N	583.113	7.867	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccccc2)cc1	408847002	SEKUNIOWHUPXIE-VTNSRFBWSA-N	599.024	6.698	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC#N	408856599	KUDFVNHBKINNSQ-MZFJOGFUSA-N	512.997	6.171	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408861133	NTOBMGMCPDNQCC-HNSNBQBZSA-N	636.568	5.999	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1ccccc1C#N	408864214	XKWHZBHXYDAXEZ-IURWMYGYSA-N	598.468	5.657	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc(Br)ccc1O	408869616	SMFCHYRWRRZAJA-KALUYTGESA-N	573.068	6.567	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1cccc(I)c1	408880775	IUBZRVAWIQCSGM-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1cccc(I)c1	408882138	QBYRCECKHVXQMV-BRJLIKDPSA-N	614.075	6.159	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408883636	RSPKBARKUIJZNI-VXLYETTFSA-N	607.275	7.294	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc4ccccc34)c(OC)c2)c([N+](=O)[O-])c1	408885502	BBKPXTZZPFLTGO-XSFVSMFZSA-N	523.501	5.530	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OC(=O)c1ccc(OC)cc1	408885617	CWYCUFVALXXWLM-LDADJPATSA-N	602.812	6.117	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2Cl)cc1	408886739	IQULAOAAFNEYKU-LICLKQGHSA-N	535.836	6.577	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)c(Br)c1	408887528	PBKXONMMVHAKKC-WOJGMQOQSA-N	605.124	7.407	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1ccc(I)cc1	408891351	PBLPZLKQJRNIAZ-GZTJUZNOSA-N	536.285	5.409	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2OC)cc1	408892137	BIKLUZSAADDCMC-CXUHLZMHSA-N	542.331	5.684	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1Br	408893868	GMWGGOLIVQBOEE-YBFXNURJSA-N	603.254	6.495	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	408895160	MGVYUHXVOYNNSO-RQZCQDPDSA-N	528.348	6.043	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OS(=O)(=O)c1ccc(OC)cc1	408925010	QBMYGKRFFOAJBN-GHRIWEEISA-N	547.416	5.714	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c(OC)c1	408949847	GGWVIFHRXNTXIE-QVTHKRDASA-N	710.398	6.608	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OCC)c1	408950797	SKWRVJQUKYUEOL-GDLZYMKVSA-N	671.603	5.856	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	408976656	BNFMONZSWMVHSS-QWKCNVQFSA-N	574.450	6.179	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409001620	JOBKSLRNVQYSPW-VNKXEZHHSA-N	602.474	7.027	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409004743	BRQNJMIOEKMVPZ-NDENLUEZSA-N	657.359	6.799	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409010191	AWFBAIDIHYAZRS-ZHNKJBKASA-N	662.445	8.060	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1	409046356	KDYLVUJZYKUHLM-WOJGMQOQSA-N	635.150	7.497	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1	409052585	KXUKLOTZRAMDIR-XODNFHPESA-N	583.253	6.648	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409072281	USOGAFRFWXERHE-XNTDXEJSSA-N	541.334	6.326	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	409077805	GVTFINMZZSJLEU-VGOFMYFVSA-N	524.238	7.685	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1Cl	409132088	OODCEBLHHGXVIG-QFIPXVFZSA-N	564.263	6.548	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	409139402	DGARCFNIBRUODU-KVSWJAHQSA-N	695.122	6.483	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	409183331	AZTBJSQZYUJIFB-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC	409226483	UGBPPWLGFDWFDL-SBSZSRTHSA-N	614.054	6.001	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409232998	JKRJSLGGMVABAX-FXMZOFOKSA-N	683.086	6.614	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409250850	NAYHDXYRKVRFRC-SRZZPIQSSA-N	582.882	6.051	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409252052	RQXIPPCLYPYSRP-VYVUJPJFSA-N	712.007	7.264	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409254098	HPQNQCKVILPRLU-QDTIIGTASA-N	612.251	5.778	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)c1	409254970	YOUJLTPIIFZSNT-RGVLZGJSSA-N	583.280	5.761	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)c1	409256911	QPFDPCWVUJEDJG-WKIKZPBSSA-N	575.257	5.310	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C	409261903	FTKOXTWZLKUORN-IZYHBKOJSA-N	640.165	7.614	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409324226	SPNLJIMDSLAKGB-WOJBJXKFSA-N	586.856	5.294	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OCC	409327472	UMPDPMLAVVCKNP-CAQPMQTCSA-N	568.070	6.016	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409351812	AZUFNJZISHXAIR-VFLNYLIXSA-N	551.268	6.296	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	409365802	SDCVMTQXUVHQAS-MUXKCCDJSA-N	503.382	5.291	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCc1cccc2ccccc12	409379128	UOTKOKKELKAKPX-YDZHTSKRSA-N	530.422	6.641	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409398759	VNOGYZWVUHQUNI-UHFFFAOYSA-N	521.548	6.356	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc34)o2)cc1	409403924	ONKLUEQHPGKDJN-GLJXUZQSSA-N	648.557	8.525	50	40	KKGB	
CCO[Si](CCCNC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC	627276258	SDIUDXBHNPUKGQ-UHFFFAOYSA-N	856.844	7.128	50	40	KKGB	
O=C(CC[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F)OC(=O)CC[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	885164232	WRLHSXVOBDKSJB-YUMQZZPRSA-N	566.179	6.553	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1	2325661	CEJAYLLQPAFBAA-MZOFLMDJSA-N	504.011	5.722	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21	2325756	JLFWPAJOHHJJAI-ZXPTYKNPSA-N	513.395	5.082	50	40	KKGB	
COc1cc(Cl)c(Cl)c(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccccc3)n2-c2ccccc2)c1O	2738709	LENOTZQEMOZMEN-WGNGTQIVSA-N	571.490	5.531	50	40	KKGB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C/C=C3/N(C)c4ccccc4C3(C)C)c2C)c1	3188933	SBCORFPXYNZTNE-ZEMPDMOQSA-N	537.616	5.612	50	40	KKGB	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1	3280614	SMBKGZUJDDXIFU-QPLBDWIMSA-N	528.870	5.918	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)c2-c2ccccc2)cc1	4047913	ONQVRAXFTWQVFH-GZZLJNBRSA-N	587.679	8.687	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196231	ITDLIMFMKIFKHD-CAOOACKPSA-N	523.641	8.061	50	40	KKGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)cc2Cl)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	8441982	POYZWDJCRCUSRH-JTHBVZDNSA-N	504.377	5.056	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(Br)cc3)c2C)cc1Br	13595706	FWESAFCXBBZEAN-MXAYSNPKSA-N	503.238	5.620	50	40	KKGB	
N#C[C@H](c1ccccc1)N1CCCN([C@@H](C#N)c2ccccc2)C1c1ccc(N(CCCl)CCCl)cc1	19325040	QKDYQJZBECAGGP-BWMKXQIXSA-N	532.519	6.507	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl	59336016	DFFZQGOFFKMRKC-ATVHPVEESA-N	502.195	6.881	50	40	KKGB	
CN1C(=O)[C@]2(C(C#N)=C(N)N(c3nnc(SCc4ccccc4Cl)s3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	98007198	MNDJYCONTRLGMG-LJAQVGFWSA-N	589.146	5.555	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21	98007280	NWLXVYXDALNFFA-MUUNZHRXSA-N	593.109	5.670	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21	98007282	ZHVXWPDPYMZCHV-MUUNZHRXSA-N	626.661	6.035	50	40	KKGB	
N#CC1=C(N)OC2=C([C@@H]1c1cccc(Br)c1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12	100032473	COLWJTDUUFPCPB-JOCHJYFZSA-N	538.398	5.115	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)cc2)S(C)(=O)=O)cc1C	100119887	AYZNYKUINLYDJG-KCSSXMTESA-N	607.574	6.204	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1C	100129310	MVIUGDKNVCSCIA-CAQPMQTCSA-N	563.123	5.706	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1	100325843	CGQIXQUMLFETGH-KCSSXMTESA-N	563.423	5.562	50	40	KKGB	
Cc1ccc(NC(=O)[C@@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)c(C)c1	100868653	PSSXLCREZXGFSL-MORSLUCNSA-N	508.092	5.928	50	40	KKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1OC	100879178	LXMDKGSFKVWHEB-UDWIEESQSA-N	544.504	7.554	50	40	KKGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)c(C)c1	101566444	AWFSZUYUMXNLPB-HKBQPEDESA-N	563.723	6.992	50	40	KKGB	
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)c1	102808622	ABPOZUURECNHBT-NDEPHWFRSA-N	575.090	6.064	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	104401949	UXFGUEWXWFYTRZ-BRJLIKDPSA-N	563.202	5.471	50	40	KKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(Oc1ccccc1)N(CCCl)CCCl)OC(=O)CCCCCCC/C=C\CCCCCCCC	150382800	OTXOSURQGSBRDE-GKCBOXMWSA-N	901.091	15.500	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)Cc3cccc4ccccc34)cc2Cl)ccc1OCc1ccccc1	408538626	ATABDURQMSXAAY-CLHYIUPASA-N	599.514	8.006	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC	408538750	QEGMEPIEPLBQEW-VQNDASPWSA-N	570.759	8.374	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1I	408540782	BQLDDAPGADHOAF-AUWJEWJLSA-N	545.114	5.057	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	408599223	QCXBCSBUGJUTEE-IPPBACCNSA-N	578.732	7.505	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	408604434	JBLLYAWMQHIHBT-UDWIEESQSA-N	511.538	5.568	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1	408612403	VGFVGZCCTZKEPZ-XODNFHPESA-N	504.345	5.199	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)ccc(Br)c1Cl	408683573	IJMWDZODUADGPA-MVJTYMMSSA-N	602.696	5.321	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1cccc(C#N)c1	408710644	BRHITKXVIKYGMA-IPPBACCNSA-N	587.268	5.833	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)c1	408710664	UJIHFTKXTZBXSM-MZJWZYIUSA-N	539.373	5.075	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc(I)c1OCc1ccccc1	408738584	SMQPWLQXWIDKRC-HEZBAJEJSA-N	702.549	6.348	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccccc1	408742896	QKNWSOMMPMYGQT-YVLHZVERSA-N	604.198	6.087	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1	408744381	KWRDLWAZJOKOHV-ZDLGFXPLSA-N	621.244	6.716	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)c1	408747061	YSTKJFOEQYIZDF-ODLFYWEKSA-N	586.280	6.744	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCc1ccccc1	408777117	VNSSZWXPWPEFHJ-NUJZUDFISA-N	568.333	6.052	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408793686	GCWNGPBCPGPZBD-FRKPEAEDSA-N	602.195	6.153	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408795665	MSBFFIUMKOYGNV-YBFXNURJSA-N	511.361	5.913	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1F	408808684	QUJQTAUPGYCFSI-LICLKQGHSA-N	624.191	6.160	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc2c(c1)OCO2	408811164	MDECJBTXEMEVJO-NVMNQCDNSA-N	586.357	5.682	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1cc2cc(Br)ccc2o1	408818728	QIMQTONXKVYSQR-FXMZOFOKSA-N	625.086	7.202	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	408820319	WUFIYBGDORGHRA-OXCCTMSTSA-N	558.034	5.721	50	40	KKGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1	408821826	KOSIUPCSTGVHIT-JYRVWZFOSA-N	517.756	5.040	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	408826638	IEOUDLBIMCADED-ALQBTCKLSA-N	635.142	5.329	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408832211	ROZJPOIOCQSOBX-LFVJCYFKSA-N	573.874	7.806	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408835491	XEFRKPNCLWFSCC-HZHRSRAPSA-N	563.868	8.350	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Br	408842208	NTNRSNPUHOZBPL-JQAMDZJQSA-N	592.235	6.132	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408849695	XZULAYRVFSLBQM-WBIBEUCMSA-N	633.373	8.865	50	40	KKGB	
CCOc1cc(Br)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC	408851052	VFGHSFFHYICZNR-DXJNIWACSA-N	546.465	6.777	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408863929	VNKLRMGEPVPZLX-RWPZCVJISA-N	573.414	5.507	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1Cc1ccccc1Br	408870341	VWDMHPAMSFNUNX-RGVLZGJSSA-N	554.282	6.974	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3F)cc2Br)c(OC)c1	408870656	WGNFKJCBMKLQIT-KEBDBYFISA-N	555.400	5.416	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408872797	IYKIPYZXSZRHMB-QNVXDBMFSA-N	709.421	7.137	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408878317	AGCKHQLCPUVQLC-XDHOZWIPSA-N	555.996	5.577	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1	408880509	IBWPCAJMSZDJJN-XSFVSMFZSA-N	510.999	5.669	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	408881874	MKHINLXPIZUBTI-XDHOZWIPSA-N	610.291	8.073	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OC(=O)c1cccc2ccccc12	408882693	RUUCWCQPLXRTFE-XSFVSMFZSA-N	574.374	6.218	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2Cl)cc1	408883803	WTMUSFYMDDVFAU-MKMNVTDBSA-N	601.251	6.830	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccccc1Br	408885486	APQUQPYYTFQGHO-WOJGMQOQSA-N	572.253	6.441	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408887646	QBMSHZHRNKEUNN-RVDMUPIBSA-N	548.360	5.224	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408889521	DOMCFLUZOAFPIQ-VCHYOVAHSA-N	501.797	7.089	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	408892685	IXBKFIKYZNUPOU-OCSSWDANSA-N	586.501	5.232	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OC(=O)c1ccccc1	408899516	PYTTXKIGESUYPO-VIZOYTHASA-N	638.201	6.280	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1	408925345	RFWUFAFHKYXGOR-OEAKJJBVSA-N	523.419	8.424	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c(OC)c1	408954325	NJYWQWQKVJHPFX-PDQWDMBESA-N	764.855	6.173	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408970630	JLTYHTBZHHXZLK-KXJXYNLISA-N	595.439	5.807	50	40	KKGB	
CCCCCOc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408971962	MYJPOWMMUZSPBG-WMPHVTLRSA-N	566.526	6.020	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1	408979074	LCPSAZSOTLQGSP-QNBFMKIVSA-N	515.635	5.107	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1	408981522	BNOUYOWDKZTASB-UUYOSTAYSA-N	704.733	8.136	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cc(Br)cc(Br)c1O	408993063	BTNDHHMNEBOUKG-OPEKNORGSA-N	630.074	5.865	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccc(F)cc1	409035538	JGKKJVOPDFSPBI-KVAAJVFYSA-N	631.527	7.807	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4cc(Cl)ccc4C)C(=O)[C@H]23)o1	409043196	YCBNVFIJEQAVIP-VJJHSDPTSA-N	550.014	5.516	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Br	409114598	KKWQOBGCYIZOPW-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)cc2)cc1	409137495	XSUZPJXQAKRUIG-KBVAKVRCSA-N	569.514	6.298	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	409147473	YDTCMLXBUMOKRI-LQKURTRISA-N	576.900	5.009	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1	409162780	HRGANNSJGTVFBB-PTEHHBOZSA-N	696.464	5.226	50	40	KKGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1	409168232	LSBIUMQXEIKXNG-WKULSOCRSA-N	546.824	6.080	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc34)cc2c1	409186394	BMVSLQQYCODTMU-ZMGVVAQMSA-N	533.411	7.634	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCc4ccc5ccccc5c4)cc3Br)cc2c1	409186787	HVLTWIOBQCYRAY-OHUYPAJKSA-N	587.470	7.489	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409217724	AQAWOFUCFNWWRH-IXXCKBAZSA-N	726.219	7.609	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccccc2)c1	409219826	VHXZXIVEVSPNBT-UHFFFAOYSA-N	611.246	6.040	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409242951	WZKLNKLHCQHSGF-UCQKPKSFSA-N	564.436	5.991	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OCc1ccc(Br)cc1	409247915	DXGIQXXFOZSQLJ-WYMPLXKRSA-N	621.360	5.678	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1C	409252078	SANDDTWGPATOHQ-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(I)cc1	409252447	XVBWRYNOLPBIRD-ULJHMMPZSA-N	566.439	5.925	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3CC)NC(=O)[C@H]2C(=O)OC)cc1Cl	409313624	QETVDQBRMOVPRS-VXKWHMMOSA-N	562.475	5.064	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCCOc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409335802	YJGXASJWAQZDHI-VQTJNVASSA-N	555.867	5.595	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)ccc2O)Cc2ccc(Cl)c(Cl)c2)cc1	409369440	BTOZCLKPWDQLEF-KKMKTNMSSA-N	585.307	5.111	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1ccccc1F	409372076	ROLBULRQPQQIBK-BOPFTXTBSA-N	534.166	6.836	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409383825	JPFRNECHPNEBMS-VCHYOVAHSA-N	554.447	7.211	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OCc1cccc(C(=O)O)c1	409390487	DHDPTDWUNKMHPD-GRSHGNNSSA-N	548.393	6.074	50	40	KKGB	
CC[C@@H](C)Oc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1OC	409402702	KPEBZPFODWTHFT-JOCHJYFZSA-N	515.610	6.216	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OC	409406209	WGNVONLWYXMFMF-CPDSRJINSA-N	631.321	6.572	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1OC	1826958	SOICZCKUNAVNMD-DHRITJCHSA-N	510.666	5.243	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1c2ccccc2cc2ccccc12	1872559	JAJUJALJHNPZDR-HNSNBQBZSA-N	554.119	7.653	50	40	KKGB	
CCOC(=O)N[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)F)P(=O)(c1ccccc1)c1ccccc1	2072556	HOJHMVPIJPIFPX-INIZCTEOSA-N	503.326	5.244	50	40	KKGB	
N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1	8456146	QTMJIXXEAHGFOY-BVZFJXPGSA-N	515.386	5.682	50	40	KKGB	
CCOc1ccc(Oc2c(/C=N/NC(=O)c3ccc(Br)cc3)c(C)nn2-c2ccccc2)cc1	12623281	JKUFGCJVGJABKZ-OGLMXYFKSA-N	519.399	5.898	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12	20059634	ABJIQEVLXHRXBM-LQKURTRISA-N	512.418	5.492	50	40	KKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3c(C)cccc3C)c2C)c1	20243649	NXZLOYAXNXEMHS-XODNFHPESA-N	512.517	6.474	50	40	KKGB	
O=C(N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21)c1ccc(CSc2nc3ccccc3s2)cc1	37394251	BPJVNEIDZFSTHE-AVUUQVQBSA-N	521.667	7.247	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1	58914974	IZYJSLVAIQJJGX-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)OC(C)(C)C	72131130	KYSDBVSJLBOZDZ-NSOVKSMOSA-N	562.711	5.487	50	40	KKGB	in-vitro
N#C/C(=C1\S[C@](c2ccccc2)(C(F)(F)F)N=C(O)N1c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1	97984807	CUPJPFVLVXMXPO-KYDKCEDYSA-N	603.630	5.879	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccccc2C)cc1	100123169	GKEJKCLOZCGAQS-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	100130120	XBXNWOFKDNPKMY-MZFJOGFUSA-N	583.541	5.785	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc3)cc2)cc1	100141961	PGUYQFQRINYYMW-BIZUNTBRSA-N	545.636	5.367	50	40	KKGB	
Cc1ccc(OCCOCCOc2ccc(/C=C(/C#N)c3nnc(NC(=O)c4ccccc4)s3)cc2)cc1	100790178	OPLPYXYGMYUVFV-CLCOLTQESA-N	526.618	5.637	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2[N+](=O)[O-])=C(C#N)[C@H]1c1ccccc1Cl	101273350	CUMOHLRUMXLGRK-HSZRJFAPSA-N	524.986	5.045	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)CCCCCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	102087285	SFGVSKXRNGQQKD-XALOUDCRSA-N	605.165	5.034	50	40	KKGB	
Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)c1	102656062	CLJSKGHGSRSCIZ-PJBUMPDVSA-N	505.206	5.070	50	40	KKGB	
FC(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528950	MVFLVKVULQOKDL-REOHCLBHSA-N	592.002	7.117	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	103887679	OYPGDYWAXYYQJP-NDENLUEZSA-N	538.341	5.423	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	197828876	XBEKDVHWENLPQL-XJECJHNESA-N	636.479	6.937	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)c(C)n1-c1ccc(C(C)(C)C)cc1	209503313	RSVBJNAUROCAKT-IPPBACCNSA-N	571.313	7.427	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538688	PCPLHFMUVJIVCM-KMUKQRDJSA-N	593.705	7.058	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	408540178	ODAYJJXYKOGVRF-OVVQPSECSA-N	597.509	7.860	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccc2ccccc2c1	408548822	LQYPBMXIAURDTI-WGARJPEWSA-N	569.296	9.161	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1Cl	408552040	RMZSKKAALQGMKQ-CFRMEGHHSA-N	518.838	8.298	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2I)c1	408568492	JUEHMVWCWMHCBQ-RWPZCVJISA-N	604.535	6.186	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408568558	KLBFYCDEVMFKKI-CHHVJCJISA-N	666.188	6.463	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccccc3Cl)[C@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408644445	REQWSCNSSDAJBV-SNDIGXPUSA-N	519.400	5.138	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408653023	PMKNVWDAGSWWTH-LVCYWYKZSA-N	537.802	5.321	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1	408676838	ALAGPWURFSGYIS-VBTYURRXSA-N	614.707	5.177	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1ccc(Br)cc1	408711791	KOOQJASSUKHLJR-FSJBWODESA-N	522.184	5.225	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc(I)cc1	408711797	KZCZIMZTSPWUPL-KBKYJPHKSA-N	786.971	6.606	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(Br)cc2)cc1-c1ccc(-c2ccccc2)cc1	408724206	HUTHLCLJIBBRFV-UZWMFBFFSA-N	535.445	7.041	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408729768	CRNIGISMEHLPJH-MNDYBZJGSA-N	539.573	5.258	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408746405	DHBPGFHLYRHFEY-SXGWCWSVSA-N	669.993	7.861	50	40	KKGB	
N#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I	408747820	UGIZOENMBFTARR-GHXNOFRVSA-N	634.009	5.106	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)cc1	408751374	IXJWUQZDCWKYLZ-SYUSAXASSA-N	511.691	6.604	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	408771413	GTBCBTAHCNFQQM-RGEXLXHISA-N	531.525	5.696	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	408777843	KAZNCSVUBDRIHB-RPPGKUMJSA-N	531.248	5.646	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789624	QLCNXENLOLOSSV-LFVJCYFKSA-N	557.419	7.292	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408789657	QQMFEWKCJDLTEV-WSDLNYQXSA-N	504.970	6.178	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(I)cc3)c(OCC)c2)cc1	408789894	SLFMFDYUURUESW-FYJGNVAPSA-N	722.317	6.596	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408790163	ULLDQXQNVDEDNQ-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1	408793759	GJZKNHLASJXFAH-QGOAFFKASA-N	506.356	5.021	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(I)cc1	408795386	VGFJMDAIJDNYRC-LICLKQGHSA-N	623.672	6.840	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCC#N	408796915	PSNIEGFGXCMQCQ-NTEUORMPSA-N	505.166	5.058	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408821861	KXSOROQQLBRQGK-WGOQTCKBSA-N	642.506	7.768	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(C)c(Cl)c2)cc1	408830640	NIYCGZDNSDLFEU-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1cccc2ccccc12	408835060	VZIABPWQLSHWSX-WPWMEQJKSA-N	653.960	8.968	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OCc1ccc(Br)cc1	408835307	YIZDMGRQWAZLLF-OEAKJJBVSA-N	729.796	8.419	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(C)cc1	408846419	KLXKYVMWIAVHNX-NUJZUDFISA-N	633.280	6.850	50	40	KKGB	
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408847782	UPNVGQRIOQTVOO-XODNFHPESA-N	511.434	6.941	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)ccc1OC(=O)c1ccccc1	408849027	XSFCBSULZUFXLJ-MWBNBJEGSA-N	676.976	7.951	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408859705	POTLSMJQYXGHJZ-XJECJHNESA-N	721.457	7.006	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1OC	408864430	VQNWUAHDDBKRRY-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1Cc1ccccc1Br	408871943	ZXGHIVMIEQIZNF-YBFXNURJSA-N	587.255	6.507	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc4c5c(cccc35)CC4)cc2)S(C)(=O)=O)cc1C	408873377	QBXSQMHATGVBEF-FDAWAROLSA-N	511.647	5.285	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1	408873507	VAXPPQUCRNCLDT-DPNNOFEESA-N	609.079	5.151	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(OC)c1	408874862	DOBNKBYATXRDMX-DJKKODMXSA-N	576.274	6.575	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408879413	GBXVKYPTHOIJMU-CPNJWEJPSA-N	569.355	5.723	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccc(Cl)cc1	408881714	OFUXJAIONXPWAV-UVHMKAGCSA-N	613.677	6.449	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Cc1ccccc1F	408883057	SVPDQYPJODAGGA-UDWIEESQSA-N	540.376	6.274	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=N/NC(=O)c3cccc4ccccc34)cc2OC)cc1	408886168	DVLMMTYTOQNDRU-MUFRIFMGSA-N	580.378	5.445	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1OCc1ccccc1C	408889348	CTRLDGVCTAKUET-ZSNJKBEMSA-N	623.632	8.119	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408891565	SLSGHVUACNVPLK-WKULSOCRSA-N	537.797	6.247	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2cccc3ccccc23)c(Br)c1	408893252	DGGCLVXRPOYMEN-HMMYKYKNSA-N	590.271	7.438	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1Br	408897315	RJSBPCIGMYVFFU-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cccc2ccccc12	408898602	XHWREXGLDQIRSW-PPOKSSTKSA-N	530.580	5.454	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2	408910304	JTRPDZMESJVFCF-VPUKRXIYSA-N	618.815	5.196	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)o1	408924928	PPANLPBZHLBFSJ-UKTHLTGXSA-N	515.263	5.014	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(OCC)c1	408950306	RXGFWMPEAMIUAN-XIFFEERXSA-N	731.669	6.465	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c(OC)c1	408953629	MFVYAIGKQJIDOR-OEISHWKDSA-N	715.985	5.419	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c(OC)c1	408957833	WKTCETBAGQYCBV-HYCVJYALSA-N	622.678	5.148	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(F)cc1	408961778	DYPJXGSQFZKVDO-XODNFHPESA-N	556.344	5.984	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c2ccccc2)cc1	408977494	DUFWLWGDARGSEC-YSLFSMFASA-N	577.706	6.287	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1	408979540	MQZQKGVTVBYPFF-PGHBFPSBSA-N	502.574	5.149	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408996647	LXHORWWRFBMMTB-VKVKMMGJSA-N	667.181	7.788	50	40	KKGB	
CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409011466	FNDRKIRAIGUMIR-ABFODGPCSA-N	599.946	6.710	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1	409022193	IHBGKHFNMPXRNN-KYHGBAKBSA-N	540.417	6.259	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OC)c1OCc1cccc2ccccc12	409022579	YZKXGSGFIZZBFW-OJYCWLPVSA-N	531.612	6.233	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409041480	JQLGRAZAJKNONQ-YBFXNURJSA-N	649.407	6.580	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1Cl	409051085	ILVXDBWIKJZNRY-BRJLIKDPSA-N	502.752	5.662	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc(I)c1OCc1ccc2ccccc2c1	409080921	OMIFDSNZQRRRFC-IWIPYMOSSA-N	604.444	6.976	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409085981	UFMGGRGVOFPSDI-CPNJWEJPSA-N	534.494	7.474	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(C)cc1	409103311	GMFBOVRJZDYFKU-RUZDIDTESA-N	535.394	5.682	50	40	KKGB	
C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Br	409129403	GPKFXGASRADAJF-FQEVSTJZSA-N	565.306	5.159	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)cc1	409162026	CATZSIZIJKGORX-FDAWAROLSA-N	567.042	5.024	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409215486	ZSVIMWRKTKUSHC-KVSWJAHQSA-N	627.863	5.352	50	40	KKGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409218082	COWQKBZDRURRCJ-ULKKYTLUSA-N	613.970	5.791	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409220297	WKANAUSIGCPNQZ-CXUHLZMHSA-N	622.246	6.170	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409224811	MDADSWVTIDTLHW-GCAHPBPFSA-N	647.869	6.646	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	409225316	MTFWCNWVGDSXHG-LDADJPATSA-N	524.360	5.343	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409227647	ZWERWGKIVZCJQX-MHWRWJLKSA-N	578.772	6.684	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1	409234843	NEBNPVSBDPLZHA-KIBLKLHPSA-N	564.849	5.239	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409246696	AMFDSZHUCWOHQV-FVHJOOJJSA-N	562.464	5.958	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)NCCCc1ccccc1	409250797	SGKZJOBPQOOSMO-QQXSKIMKSA-N	604.342	7.600	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409254722	FNADZMLJYRRBPY-YBFXNURJSA-N	597.409	5.185	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409266990	ZQTROLJDKPHKIY-YBEGLDIGSA-N	575.246	6.328	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC)c(OC)c2)ccc1OCc1ccccc1	409331601	DVWWAVPZFDOOGT-NTFVMDSBSA-N	574.415	5.440	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)ccc1OCc1ccccc1	409336497	SYMJHRIBBBSBGG-BJUCDSOZSA-N	658.774	7.796	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409363086	JKFLZQNFTGTBDF-SXGWCWSVSA-N	558.791	5.813	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409365659	VNQHXOLPLZLYRO-PDGQHHTCSA-N	568.399	5.559	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)Cc2ccc(Cl)cc2)c(C)c1	409367955	JTBLJRAGNHSQKP-FZKWRIDDSA-N	590.145	6.185	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)Cc2ccc(Cl)cc2)c(C)c1	409368168	ODEMNYLMARBWAY-FZKWRIDDSA-N	590.145	6.185	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	409373864	VRLMDGFAPNQRKH-ATZGPIRCSA-N	529.423	7.651	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(O)cc1	409380877	BMWXIUYTFQRMHV-CHHVJCJISA-N	552.639	7.240	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1cccc(F)c1	409385453	KKUNVAYEIZZOBY-KKMKTNMSSA-N	605.385	5.905	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409395843	SJXHSDIEOFFLHY-UHFFFAOYSA-N	769.874	8.639	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)cc2OC)cc1	409397061	FSZMOUIAMLWGQL-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12	409397951	PTCQRNJPDWFPJF-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409399347	ZUAIKBBNTVHJRD-UHFFFAOYSA-N	698.344	8.128	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2	409400772	FIVFDQPIHCPXCH-VHFSBPNMSA-N	652.660	6.645	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(O[C@@H](C)C(=O)O)c(Cl)c3)o2)cc1	409405723	UYDNSUDMECJIFY-PIEWVDTRSA-N	570.429	6.189	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3OCC(=O)N3CCOCC3)o2)cc1	409406587	XFAKWTUUDLROAN-OHUYPAJKSA-N	635.515	5.030	50	40	KKGB	
CCOC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409406982	YJSLOEWFTWLLIH-ACXHZZMFSA-N	550.011	5.625	50	40	KKGB	
COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409407703	GWJOFGMAAWGQFI-OUKPSDERSA-N	624.093	7.311	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(Br)c2)N1	1267767	VKEMRCKWHCWBKR-XMMPIXPASA-N	565.518	6.217	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c(O)c1	1854110	HFQCAEUACATLEK-UZWMFBFFSA-N	556.736	6.026	50	40	KKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)NC(C)=C1C(=O)Nc1ccccc1	1898228	DDPISNZYPDBXAD-PMERELPUSA-N	552.700	6.409	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1C(F)(F)F	2340080	BLCMPFGMSKYQSX-IPPBACCNSA-N	515.948	5.849	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	2736973	JNOIEAHIVAETAO-MUFRIFMGSA-N	559.449	5.594	50	40	KKGB	
O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1	2738554	ULGQNPJATPEWCD-HPNXWYHWSA-N	584.705	7.067	50	40	KKGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)cc2Cl)nnc1-c1ccc(C(C)(C)C)cc1	9380255	KAOODFHUXIWJDJ-DICXZTSXSA-N	504.487	6.202	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccccc2)cc1	12273788	DVLOEBYJHOSBNV-DBJYNHDPSA-N	511.647	5.097	50	40	KKGB	
CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1	12569848	OIZIOURSPDVCBA-TURZUDJPSA-N	518.664	5.339	50	40	KKGB	
CCOc1ccc(OCCC(=O)OCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)cc1	13095798	SUJMDOKSZWNODI-FDAWAROLSA-N	514.500	5.484	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1	13899552	HBWOTBQUOKOPHI-TVZZMASTSA-N	503.352	5.507	50	40	KKGB	
O=c1[nH]c(Cn2c(CCl)nc3sc(-c4ccccc4)cc3c2=O)nc2sc(-c3ccccc3)cc12	14066539	HGOGZBBBGCFPRI-UHFFFAOYSA-N	517.035	5.877	50	40	KKGB	
C/C(=N\NC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1	16949156	SOWDUZGYNFCIDJ-UVHMKAGCSA-N	500.462	5.077	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1cccs1	20029070	BYYXYXSUGNDEHP-JOCHJYFZSA-N	500.045	5.507	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)cc1	59856497	JAYFUNMANYCYOI-WEMUVCOSSA-N	573.671	5.262	50	40	KKGB	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=c1\cc(-c2ccc(OC)cc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3	60045129	BIXWNJRABNGOMN-HPLGPWMWSA-N	575.706	6.372	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1ccccc1OCCOCCOCCOc1ccccc1P(=O)(c1ccccc1)c1ccccc1	95100887	XQINQNZJKCDAMK-UHFFFAOYSA-N	702.724	6.456	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccc(Br)cc1	97961867	UBDZUUZTASHITC-VULFUBBASA-N	546.215	5.593	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(I)c1OCc1cccc2ccccc12	97965493	XUFIRFNZPLKSJM-LQKURTRISA-N	574.415	5.025	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	100081543	FDXLPDIKHFFGSW-BIZUNTBRSA-N	546.668	5.702	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl	100118919	RYWBUHVHMFAMES-WEHZEOHNSA-N	577.537	6.939	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1cc(Cl)ccc1Cl	100120210	XCBWBVMXONNLIX-ATZGPIRCSA-N	531.487	6.723	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	100221284	DMOGFVVJPXXNBE-VPUKRXIYSA-N	539.366	7.165	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccc(Br)cc3)nc12	100905568	XHLJNUKKUGSUCR-DEDYPNTBSA-N	601.276	5.659	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCc1ccc(Br)cc1	103857860	ITTBOTMHLPUHFL-FOKLQQMPSA-N	571.234	5.467	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	103897106	XLPKYEJBXAIQBU-NSAYQLMESA-N	566.639	5.712	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	103902902	VDCXXCXZDIBTRE-PPOKSSTKSA-N	590.145	6.987	50	40	KKGB	
CCCCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3nnc(NC(=O)c4cncc(Br)c4)s3)o2)ccc1Cl	150365985	VERGUJOZKGKCKA-AMVVHIIESA-N	645.923	5.511	50	40	KKGB	
CC(C)C[C@H]1N=C(NN=C(CCl)CCl)O[P@]1(=O)NCCCCCCN[P@]1(=O)OC(NN=C(CCl)CCl)=N[C@H]1CC(C)C	150420337	FYIAEBHMNQKKSA-BUZIVONHSA-N	712.428	6.475	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2cc(Cl)ccc2OC)cc1OC	150474249	CMOLLQUKBSJADV-FABQOPTDSA-N	639.174	5.736	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(/C=N/NC(=O)Cc6ccc(OC)c(OC)c6)c5c4O)c(O)c23)cc1OC	150669755	UXUMSLVRVFZOBO-MHCOIWLVSA-N	902.998	8.177	50	40	KKGB	biogenic,in-vitro
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(C(=O)O)cc1	408541475	GLKVVSWPVMKDMA-NVMNQCDNSA-N	503.179	7.097	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551688	PASFNAISLOPDMM-LFYBBSHMSA-N	565.243	5.033	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553959	XSKYJSYBXDCCDU-BJUCDSOZSA-N	584.887	6.909	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1OC	408580747	DRAGSLIZKPBJHS-WOJGMQOQSA-N	530.396	5.307	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1)c1nc2ccccc2[nH]1	408608428	WHPFMBKIFOKUAI-HMMYKYKNSA-N	547.537	5.500	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408611090	PXKDXHJQMRBBFU-WKULSOCRSA-N	530.408	5.459	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408639545	FVEBHRJZUOZFPE-ZCQNZVIGSA-N	782.225	6.283	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408649661	YVCHRDDYYJIGRZ-ZEAHVMKUSA-N	665.593	6.197	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1	408657540	UMQCTNXKPQQTJP-YKSBVNFPSA-N	524.932	5.177	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1Cc1cccc(Cl)c1	408712048	XFRPJGRMUGFRCK-MZJWZYIUSA-N	527.793	6.020	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc2-c2ccc3ccccc3c2)c1	408726772	UMZMMPUSVRDCRG-GOJREDGKSA-N	536.635	7.344	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408741417	LWYLCBMEDHOAPC-JRZNSJKLSA-N	732.547	8.955	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c1	408746786	VRZKRFSSWRIFBX-IUXPMGMMSA-N	719.144	7.726	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Br)c1	408761036	GTGMXSCVXDKAIS-BKUYFWCQSA-N	609.261	7.332	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1cccc2ccccc12	408761296	DGOBRJVDVOGSJX-MTJSOVHGSA-N	596.308	8.432	50	40	KKGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)c1cccc(Br)c1	408761562	GSKXMOMJTDMBJN-WGOQTCKBSA-N	509.381	5.134	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3cccc(Br)c3)c2C)ccc1I	408768473	WYOVGLUTWKSWND-ODLFYWEKSA-N	517.208	6.834	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc(C)cc1	408788867	MQWSYUGNYVNDRX-WGOQTCKBSA-N	583.482	7.470	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(I)cc1	408791121	UKGHAAIQRQXTSF-GIJQJNRQSA-N	684.699	6.991	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	408791142	USUNLCOZNXJRDO-CAOOACKPSA-N	550.667	7.842	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(I)c2)c(C)c1	408792318	AQNRXUZWZYWLAS-UDWIEESQSA-N	526.349	6.172	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Br)cc1	408794147	HPSUYYFYYTZJTM-VCHYOVAHSA-N	546.248	7.279	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1C	408796639	ONZQJXJILUHXOI-ZMOGYAJESA-N	637.315	7.948	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1ccccc1F	408812720	NQZHPWDUIWCKGH-APSNUPSMSA-N	621.200	6.046	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)c2ccc(C)cc2)cc1	408827268	IZXVOGSNVWUDDW-JGRMKTMXSA-N	584.698	5.382	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(OC)cc1Cl	408827359	KSYMTGSJGKXQTH-RQZCQDPDSA-N	572.799	6.153	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OC(C)C	408834884	WDQRCWUBFORZPA-FYJGNVAPSA-N	616.883	7.255	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408838361	VJTUSHRLFOIIPH-VYVUJPJFSA-N	607.115	7.179	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408840070	XKAUMWSETPERKW-FABQOPTDSA-N	602.499	7.372	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408841240	DQUWSVGUJKYOHG-ODQASSKESA-N	696.454	9.283	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(OCC)c1	408841336	FKOMKLUDNHMVJC-STBIYBPSSA-N	500.624	6.423	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408843627	RKMXMCBVLPNEHE-XICOUIIWSA-N	628.751	5.490	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C4=NN(c5ccccc5)[C@H](N)[C@@H]4C#N)c3C)sc3c2CCCC3)cc1	408847674	NWVYKBFLVZHNGV-VRENBFGOSA-N	599.764	6.803	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1	408862612	GYPYYRAZTICPRS-QXUDOOCXSA-N	619.143	5.827	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccc(C)cc1	408867479	LBDCUTJFKXWIGH-XICOUIIWSA-N	639.561	6.298	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408867668	LETGGNZRWZBDPW-PCLIKHOPSA-N	513.424	7.709	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(OC)c1	408871062	VTIYNLMVTOOECM-RGVLZGJSSA-N	520.416	6.237	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1	408871367	XWMLANNTRNIBDD-HFRGLDNTSA-N	649.169	5.259	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408875989	LYLBCZCEXARRBU-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408878626	BALUCFLSUZIVJP-OCSSWDANSA-N	547.405	5.993	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccncc1	408880793	IPPZBJBTAFBPOH-KALUYTGESA-N	558.057	6.256	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408888812	BBYGNOHPWFWLKP-RIYZIHGNSA-N	593.357	5.132	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1cccc2ccccc12	408893687	HPYSJYSLPQCHHD-XSFVSMFZSA-N	541.947	6.565	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1	408921579	BEVVDICOMJNRQG-DTQAZKPQSA-N	503.363	5.315	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c(OC)c1	408957440	ULWGTCBWGQIYCK-QNRLOOANSA-N	688.579	5.489	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c2ccccc2)cc1	408977474	DPNIMOURUZWQTL-BZCOGROQSA-N	685.438	6.659	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408986939	NVYSEWGJKFDRFY-MFOYZWKCSA-N	595.118	7.952	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc3c(C)cccc3C)cc2)c1	409010553	BVUDTWPNDHPMFR-RSBFIHLVSA-N	515.654	5.251	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cccc(C)c2C)cc1	409027377	BPNUTVIWTBNICX-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	409045573	ZHGQGQCRXYKDPR-NTUHNPAUSA-N	507.138	5.230	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	409047604	OYIIBXPSLCLFBZ-FRKPEAEDSA-N	583.063	8.070	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409050246	SVPIMSSYNHVBTA-MJXLXAJKSA-N	659.334	7.498	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1)S(C)(=O)=O	409116116	UBUQTNKLRPZNOK-FDAWAROLSA-N	549.096	5.786	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCCC(C)C)cc2)cc1)S(C)(=O)=O	409121377	UXYDSBJBFWAHJH-VUTHCHCSSA-N	507.656	5.150	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(F)c1	409134332	OUGNOYBROWWPAJ-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
Cc1[nH]nc2c1[C@H](c1cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c1)C(C#N)=C(N)O2	409138602	FHAARZWDGVKMNN-GOSISDBHSA-N	553.187	5.427	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1	409152166	JQDYDUHINVCLMJ-OKCVXOCRSA-N	557.434	5.279	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1	409153328	HTBCNKKRAVYJNO-VVEOGCPPSA-N	669.303	5.275	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccc(C(C)C)cc2)cc1	409183366	BGCQJKMUGGDURU-KEIPNQJHSA-N	598.725	5.482	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	409185532	MDKHRFMKTAUXJU-RUMWWMSVSA-N	557.672	5.318	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(Cl)cc2C)cc1	409185912	SKODNPBWCIGMPX-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)cc2c1	409191057	ZDYLEDGQWRQOAA-MNDYBZJGSA-N	580.435	5.692	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409196187	XMCCLYFDRHKUPL-WQRHYEAKSA-N	561.376	5.143	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1	409226929	XXKGVMWDFHGFEZ-LDADJPATSA-N	506.356	5.026	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1	409240001	NVYDWRXMZSFILS-KIBLKLHPSA-N	609.300	5.348	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1	409244811	JBNAGCQMRBORHB-DEYGKZMTSA-N	519.439	6.520	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Cl)c(C)c1	409254453	DQXYKMCMJNSKEZ-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409263598	IDEIJQQZSGLPRU-AEUUOICLSA-N	666.956	6.870	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl	409268911	ZNBRBIYVYAMWEY-RAWMCFOBSA-N	610.646	5.555	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1cccc2ccccc12	409309156	CHGAAABNQPJRQL-LJUMEUDFSA-N	518.997	6.252	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1OC	409312176	JXNRWFXMDBFZNB-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C#N)[C@@H]1c1cccc(Br)c1	409315112	HVCAQVHYUATWID-RBUKOAKNSA-N	602.816	5.231	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)ccc1OCc1ccccc1	409322545	KHTLTRYCHYGMRO-CAQPMQTCSA-N	560.006	6.569	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)cc1OC	409333309	OEXBGTISFYWLEM-ZMFRSBBQSA-N	548.231	5.572	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(F)cc1	409374515	ROVUDFSBVFBGBN-ZDLGFXPLSA-N	539.348	6.267	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Br)c2)cc1	409379738	YXUJBDPJJVGUJX-QGOAFFKASA-N	538.373	5.550	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)cc1	409380309	BYBCBFFNYOJONO-XJECJHNESA-N	691.007	7.760	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386443	QCUHDJPYGPRURW-DHRITJCHSA-N	510.369	5.915	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(C)=O	409394817	GICGKSQQKFRENX-UHFFFAOYSA-N	644.453	6.654	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394982	IJSOCADGMMHRPF-UHFFFAOYSA-N	775.635	8.667	50	40	KKGB	
CCOc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)cc1OCC	409395450	NSMOXHQQORMDIJ-UHFFFAOYSA-N	774.293	9.447	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409398937	WSHPMNZHLFZBSE-UHFFFAOYSA-N	606.893	8.177	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccccc1	409401874	IMEGLTSVHFUQCS-UHFFFAOYSA-N	627.097	6.710	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409403020	YEAOJHHELJFDSI-XVIDZLOXSA-N	580.037	5.632	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OC(C)C	409406659	XLSYLSFNERYOLA-UHBFCERESA-N	546.580	5.734	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12	1529549472	ZXRRURDELCIQFO-ACKQVUGPSA-N	626.710	5.443	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CC[C@H](C)C2	1791670	WDQNSGVFEHEUOF-AYYGCFCKSA-N	529.445	7.162	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	4062720	MTVHIGMXWGSOTK-KCSSXMTESA-N	579.638	6.813	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(Br)cc1	4196320	ULXPZWVQSIHHNR-RGVLZGJSSA-N	570.281	6.962	50	40	KKGB	
O=[P@]1(NCCCN[P@]2(=O)OC(CCl)=N[C@H]2c2ccccc2Cl)OC(CCl)=N[C@H]1c1ccccc1Cl	5663379	YZXXGKKALYTQGN-JYPVJGPHSA-N	598.191	6.981	50	40	KKGB	
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1	8385798	JYZNDQLCHFXCEM-SWPVMZDPSA-N	561.601	7.083	50	40	KKGB	biogenic,in-vitro
O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)CC1)c1ccc(Cl)cc1Cl	8450219	QYYBFLDRMWTSJU-VWXCAMAWSA-N	636.164	5.056	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1OC	12285228	IWWYQAQSXGGFEV-LQKURTRISA-N	528.078	5.753	50	40	KKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)c1C	16050320	YNLZHKHISFUYLP-HYARGMPZSA-N	519.623	5.509	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1	59883604	HDEDWMSUSVTNNQ-KCSSXMTESA-N	566.045	6.392	50	40	KKGB	
O=P(O[C@@H](CCl)CBr)(O[C@@H](CCl)CBr)O[C@H](CCl)CBr	95704265	PJNLXXROLSYGPE-HLTSFMKQSA-N	564.260	5.151	50	40	KKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)NCCCn1ccnc1	97947246	IEIBZAOVSMEPMY-ITYLOYPMSA-N	563.061	6.082	50	40	KKGB	
O=C(CCCCCCCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21	97997142	RJOZNIYXLUUTNN-UHFFFAOYSA-N	790.105	5.712	50	40	KKGB	
CCCCCCCCc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(OCCCC)cc3)cc2)cc1	98045011	BGEGRIILSVOAKM-UHFFFAOYSA-N	500.683	7.510	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3nc4ccccc4s3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048705	HYKDCXDNQGQGSC-HHHXNRCGSA-N	583.695	5.717	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)cc1C	100124766	RETNIHIRWPCZDL-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1	100127738	ZHFIHZAVPDXHAN-UXHLAJHPSA-N	595.519	5.565	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	100398568	GGTYPLKZSOKWJC-UEXGIBASSA-N	556.273	6.060	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	100580419	YUFWIKXMGSNVIM-YRNVUSSQSA-N	517.679	5.725	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(-c2ccccc2)cc1	100852814	UEQWLCVFFLKOMO-TWKHWXDSSA-N	540.739	7.283	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)cc1	100859145	YPOQTIKMAYJKTC-QNKGDIEWSA-N	534.641	5.694	50	40	KKGB	
CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4s3)c3ccccc32)C1	100994095	LUWXUXUTUWTXLM-NLRJIIOZSA-N	533.723	5.114	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	102262767	PGJWOXHXVQGJJM-PXNMLYILSA-N	532.767	6.688	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	102717939	RCTXHTSIWHUBJI-NDEPHWFRSA-N	559.091	6.364	50	40	KKGB	
CC1(C)CC2=NC(SCC(=O)Nc3ccc4ccccc4c3)=C(C#N)[C@H](c3ccc(Cl)cc3)C2=C(O)C1	102930797	PFKPKNRSLNIWSF-MHZLTWQESA-N	528.077	7.771	50	40	KKGB	
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)CSc1nnc(CNc2ccc(Br)cc2)n1C	103254670	HATQZIPSWTWWEP-ZMHCDBLCSA-N	541.519	5.611	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	103889330	IHYPILLFIKCWTH-SXGWCWSVSA-N	520.185	7.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)ccc1OCc1cccc(Cl)c1	105586995	QVXRFBPZVBQKLJ-BIZUNTBRSA-N	531.077	7.374	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	144774147	WSQALEBQFOJBQF-IUXPMGMMSA-N	570.641	7.903	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	150385240	HYMSGIAOAJRZPV-QLQYKETESA-N	631.585	7.560	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc(Br)c1OCCOc1ccc([C@H](C)CC)cc1	150425803	GDWHGTXDMPGJDP-IDBQEEKWSA-N	680.625	6.616	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	164333223	OYJXBFFIECASDZ-JAIQZWGSSA-N	691.282	6.361	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C(=O)[C@@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C	253617321	RBYRHDBWVSOLNG-OGSRTMJXSA-N	597.587	5.650	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408537419	DWEAAONEURHNQL-MFKUBSTISA-N	588.582	7.426	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc2ccccc12	408544128	UWVCPCUJTSHLNI-YDZHTSKRSA-N	514.375	6.952	50	40	KKGB	
Cc1nc(-c2ccc(C(=O)N/N=C\c3ccccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cs1	408555171	VZGBXHBVTFVKCF-DBFSUHOCSA-N	539.444	6.207	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408568471	JKPJEBDVROZTTG-VVEOGCPPSA-N	642.424	7.351	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1OC	408580866	FBTGUVQQGUNGLU-DJKKODMXSA-N	545.348	6.099	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1	408611304	QNQLEYBFTVGMSV-STBIYBPSSA-N	509.990	5.195	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl	408611465	RAEQGRWGRUKWHT-XODNFHPESA-N	549.252	5.986	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1ccc(C#N)cc1	408710535	BSRVIZYVAXLHIF-WKULSOCRSA-N	538.398	5.080	50	40	KKGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408742824	PZSNAGACHLSEMZ-WKSRHIFQSA-N	583.673	5.591	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1cccc(F)c1	408748200	ZZGPSXJOVIXBOD-YVLHZVERSA-N	560.217	6.484	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCC#N	408766019	NTGQGTKVURWIOJ-YBEGLDIGSA-N	501.178	5.388	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccc(F)cc1	408775298	GILQRIRZJJLMKQ-MTJSOVHGSA-N	570.402	6.571	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccc(Br)cc1	408785494	GNKATMNIPMGTRD-MOSHPQCFSA-N	599.323	6.801	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1	408787373	YYADXRMJYQPGQO-BOPFTXTBSA-N	515.875	7.167	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2C#N)c(I)c1	408790662	QMGLMLDWXZAZQR-UFWORHAWSA-N	632.683	7.012	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1	408790744	YDORKFMCBBBUCI-HYARGMPZSA-N	519.395	6.059	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798869	WZWGBCCIMDEBOB-CXUHLZMHSA-N	547.192	6.789	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)OCc1ccccc1	408810455	KPPQYMHJCPVMIZ-SCMGJGFASA-N	638.555	7.466	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408823765	GGCUGNBSNVOXHW-BUVRLJJBSA-N	652.372	8.858	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408825017	ITJVAHCHFQOZFB-QGMBQPNBSA-N	616.852	6.551	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838978	LECHBVVBIZPTQS-PUHLOBNQSA-N	835.849	8.667	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCC(=O)OC	408840845	CGDOHFSYQIIPSW-IBBHUPRXSA-N	579.078	6.230	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1ccc(C)cc1	408843438	MRQQWSMILSUHTC-FMFFXOCNSA-N	535.600	5.938	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5cccc(F)c5)c(I)c4)cc3)cs2)cc1	408849589	ZJVOGAXGYIFUDU-KVAAJVFYSA-N	662.528	7.949	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1Cc1cccc(F)c1	408867039	IXWPMUHNQIFMEF-VXLYETTFSA-N	526.349	5.884	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c(OC)c1	408871890	YZAJUAPATFFTCT-DJKKODMXSA-N	576.274	6.575	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1	408873605	SXKFCWSWLRIUQO-KCSSXMTESA-N	598.508	5.927	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408877911	XYPBXXMOHWLZPT-PNQUVVCRSA-N	663.805	6.222	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1cccc2ccccc12	408881740	MKQFDYZNOWWYRF-KGENOOAVSA-N	503.385	7.280	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Br)cc1	408886053	HMZPILOKBYIAGP-CPNJWEJPSA-N	556.254	6.735	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Br	408887118	OAONZSVIPMRYSR-YBFXNURJSA-N	511.803	6.544	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408887739	STWHYPPUOMUOIA-UDWIEESQSA-N	555.450	5.696	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccccc1Cl	408889407	GHQOZEXKMZARPU-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1C	408890593	WDNOKNNGFNEEAT-GIJQJNRQSA-N	556.800	6.452	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408893629	HGQWQMYFVXBAMZ-FYJGNVAPSA-N	558.388	6.644	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)cc2OC)cc1	408898573	XAVXYSUJFGOQCC-GZTJUZNOSA-N	680.236	5.678	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)cc2)cc1	408900184	TXRZOGDFJLMBNI-XMHGGMMESA-N	508.315	5.365	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1cccc(F)c1	408905027	SDADNSGOEKLKIT-QDTIIGTASA-N	579.264	6.792	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCc1ccccc1Cl	408942664	GMJCXVVGCKBWTK-NDEPHWFRSA-N	702.027	5.575	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C)cc1	408947215	BGOGRNDSYPSVPB-OYKKKHCWSA-N	558.476	6.482	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408952047	VCFHDGJDVFSPSN-HHHXNRCGSA-N	672.547	5.366	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC(C)C	408973104	YTMOUIMARGNPLO-OMMYVPJLSA-N	651.385	6.197	50	40	KKGB	
O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408974025	VBXDIOTYQDGSIX-IGDMYJKPSA-N	519.432	5.463	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1	408997971	PMEQOVMHCNHYQY-DPNNOFEESA-N	576.436	6.628	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)cc(I)c2o1	409020853	UTXMLANJIHGELM-RPPGKUMJSA-N	620.197	6.051	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2cccc(Cl)c2)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409036291	VMPAQJBYOWSDIP-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409036297	VNAZWNUTXHMZBD-FABQOPTDSA-N	719.561	7.808	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	409039863	XAQBWEUHNLEHLO-KBVAKVRCSA-N	593.547	7.576	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1	409066793	BLWCHILBEWEFOR-NTEUORMPSA-N	594.668	6.838	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409083342	SNWWHJZBOLGNQG-AWNIVKPZSA-N	656.165	7.385	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409125333	CXLRHQFAJVMLNY-KPGMTVGESA-N	644.537	5.972	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1	409128007	RGFUNPXZDADCIA-MWBNBJEGSA-N	721.457	7.088	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C2=C1CC(C)(C)CC2=O	409136083	WTJWQQRJLWQVKJ-VWLOTQADSA-N	526.464	5.955	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1C#N	409222743	DJSIDLVIGQMBDP-JMIUGGIZSA-N	570.365	6.863	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409239340	PLYFEVGCGJZVEB-SXGWCWSVSA-N	592.343	6.179	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	409244260	AGZHELACZNLLAZ-DEYGKZMTSA-N	519.439	6.520	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2Cl)c(C)c1	409256072	NUKVACSBIKWXFM-VCHYOVAHSA-N	617.725	7.045	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409262993	JVLKQQQVTWKEFB-YBFXNURJSA-N	524.404	6.182	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)c1	409263157	AQKCERQKSSTRFN-YLYVUXRMSA-N	679.029	8.912	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1C	409267662	WTTGPUIOWAIEJU-MWBNBJEGSA-N	626.138	7.306	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1OC	409312076	JTZUAVBBQPSJLU-DBFSUHOCSA-N	639.728	6.054	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OCC	409314677	GTYJHLCWBLSMJZ-MWLSYYOVSA-N	581.474	5.721	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	409322126	IUCCHYXCLRLVAF-MUXKCCDJSA-N	503.382	5.752	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(I)cc1	409368775	LXPRIYXUEVROTC-MFOYZWKCSA-N	673.968	8.222	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(I)cc1	409371185	DTIZXCKJSXHGIZ-ZMFRSBBQSA-N	624.229	5.242	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(I)c1OCc1ccc(Br)cc1	409384029	WSEPCNLNNVXSFX-CCVNUDIWSA-N	639.284	5.813	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(I)c1OCc1ccccc1Cl	409385827	JRKDWYHTRDYBGQ-CCVNUDIWSA-N	563.823	5.485	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	409386066	OCHYGRVFUUSRBQ-WCMJOSRZSA-N	542.592	6.699	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1	409391843	LUNPEGFDVCKAHY-ZDLGFXPLSA-N	585.829	6.871	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc(F)c1	409393943	TYJRQISPGLYZJA-SOFYXZRVSA-N	556.056	8.301	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395733	RCTHHIHHKLPKID-UHFFFAOYSA-N	714.729	8.044	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396506	UMGVRTFGKHHTRD-UHFFFAOYSA-N	646.925	7.641	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409397153	GXPGHIGETDKUTO-UHFFFAOYSA-N	618.089	8.032	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398884	WDYNZFMLWTYDFT-UHFFFAOYSA-N	636.970	7.407	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)cc2Cl)cc1	409406388	WMSOCBOSUBZYBL-VHFSBPNMSA-N	602.518	8.224	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccccc1Cl	409406408	WPYQRFZBQYQQQK-ADJDCTSUSA-N	697.413	8.687	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1	1529548093	XMAIMZVTFLPHLY-SKOAPIPBSA-N	632.482	5.047	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1OCc1ccc(Cl)cc1Cl	1529548518	IDPFDBHJMPNUOZ-CKRMDNAKSA-N	657.576	5.466	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)n2-c2ccc(Cl)cc2)cc1	1777678	HGQVWVNUJOQXNQ-BIZUNTBRSA-N	538.076	6.806	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1	1790679	HPOXYCAUIFFSFQ-JSIHEXFSSA-N	528.848	6.712	50	40	KKGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc1	2204682	ZYKPEDOLLYIDER-SILNSSARSA-N	525.472	6.048	50	40	KKGB	
COc1ccc(N2C(c3ccccc3)=CS/C2=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1	3190810	MWZHWGRGJOCCFY-WCTVFOPTSA-N	534.645	5.557	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21	3341800	DQKYPCXDCBSFRE-PJJLUWSFSA-N	544.640	5.094	50	40	KKGB	
CCN(CC)c1ccc2c3c(c(=O)oc2c1)[C@@H](c1cc2cc(C)cc(C)c2nc1Cl)C(C#N)=C(N)O3	6078535	KXCIVAXBZXZBJQ-QFIPXVFZSA-N	500.986	5.676	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1OCc1c(Cl)cccc1Cl	6166693	WRNBTJBJOAFREN-RPUDKEGQSA-N	607.519	6.478	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1cccc(NC(=O)C(C)(C)C)c1	8454704	MSJZOEJTGJMAPY-XICOUIIWSA-N	506.650	7.164	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	20347931	FSJAAUPYUCMKIW-MHZLTWQESA-N	526.662	6.220	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](C)Sc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	36080551	LGYLORKEYXYSAZ-QHGAPEDZSA-N	527.690	6.551	50	40	KKGB	
COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1	59417188	QOUPHQGFSOXHLG-RPPGKUMJSA-N	504.377	5.087	50	40	KKGB	
C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21)c1ccccc1	96022525	YDARTFKXMBTQFM-SFRZQTGOSA-N	624.539	5.717	50	40	KKGB	
N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	97990493	PXLNSGDSFPDNSF-FXBPSFAMSA-N	517.938	8.374	50	40	KKGB	
CCCCc1oc2ccccc2c1C(=O)C1=C[C@@H](I)[C@H](OCCNCC)C(I)=C1	100016903	KIFXWKABTAJKBU-HXOBKFHXSA-N	619.281	6.015	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)cc1	100239915	SRDCELFFXSMSNS-ZCTHSVRISA-N	609.546	5.601	50	40	KKGB	
O=c1[nH]c(SC[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](Cl)c2ccccc2)nc2sc3c(c12)CCC3	101026557	HPNXSZPBSAWZNK-PZJWPPBQSA-N	530.096	6.615	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)cc1	101710667	VXDLUTKKHGYQDQ-DEDYPNTBSA-N	602.856	6.867	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(I)cc2)N1	102807107	GAEZBYFJZYNSQP-AREMUKBSSA-N	606.489	5.998	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)N1CCN(c2ccccc2)CC1	103884815	ICMJJEFHAFBQCZ-JWGURIENSA-N	581.308	6.046	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl	103889669	CGMWERZWKYMQHC-YBEGLDIGSA-N	583.640	7.376	50	40	KKGB	
C[C@H](S[C@@H](C)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1	104379567	UHGXATLARCOQTN-UDJPKSBJSA-N	520.269	5.411	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C	118914777	HFSJNSPDLDRBFD-HRNBEGMBSA-N	599.603	5.442	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918298	RHVUWCOPIAXOFJ-QUYUYDMXSA-N	565.746	10.076	50	40	KKGB	
CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341718	OQYXZBKFJKBCPX-HNNXBMFYSA-N	956.391	14.432	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	164588114	JPZGOVGZRWMOFS-OKCVXOCRSA-N	676.292	6.791	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(Br)cc1	209483951	MLDGQISXGJSESF-RGVLZGJSSA-N	560.229	7.014	50	40	KKGB	
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)C(I)I)CC[C@]4(C)[C@@H]3CC[C@@]12C	257348910	JZAGLOUEHFUBBB-PJUABJTISA-N	680.493	9.136	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)C(I)I)CC[C@]4(C)[C@@H]3CC[C@@]12C	257348912	JZAGLOUEHFUBBB-ZSUDGXAJSA-N	680.493	9.136	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539479	HYODCFWLVPDAMJ-OHUYPAJKSA-N	590.032	6.577	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551792	MONQTIQVICVVSA-GZTJUZNOSA-N	528.367	6.094	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408569688	PLQXATSBYHRNAY-AMVVHIIESA-N	634.549	5.622	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O	408643439	PLXZUPYUXYWCOO-ICASLIHPSA-N	575.851	5.423	50	40	KKGB	
O=C(COC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)nc2ccccc12)NNC(=O)c1ccc(Cl)cc1	408643522	AKGXSFXMNDQGGU-UHFFFAOYSA-N	566.013	5.752	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408658101	UVJJDJYXRKYSQZ-CYJHHTLLSA-N	654.506	6.378	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408673930	WDVUAXGCZVPWGQ-BDXSIMOUSA-N	554.666	5.327	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408681443	JLNQAXFQBPQLAM-VNUXUXBQSA-N	586.202	5.240	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408710775	JXMQHDOZPYGNMA-RWPZCVJISA-N	534.366	5.862	50	40	KKGB	
O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1	408735167	KWXBWJGHLBUSBQ-VVEOGCPPSA-N	565.852	5.362	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1	408745300	LFYFFKKKJBNDSC-ZDLGFXPLSA-N	558.347	5.572	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)ccc1I	408747311	LYJMDPRFGPOTJT-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408763756	JXKAHWHMVLYNDG-GZTJUZNOSA-N	610.313	6.776	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408764756	JWIONDBMKOZDHC-DEDYPNTBSA-N	605.392	6.340	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(I)c1OCc1ccc(Cl)cc1	408783444	LKVWLUBMHKUMEU-JCMHNJIXSA-N	629.926	7.314	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794337	IVBWEFIBRKCVKA-WSDLNYQXSA-N	687.215	9.222	50	40	KKGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)OCc1ccccc1	408813091	DZPXOUGWZNEHQZ-SCMGJGFASA-N	638.555	7.466	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408827137	CKYBMMKAKSMOIF-BUVRLJJBSA-N	709.924	7.955	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Br)cc4)cc3)cc2)cc1C	408828688	LUXHJFYFDSNORX-OVVQPSECSA-N	567.483	7.770	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)o2)cc1	408834078	UIBUYAJXROCRNT-CLHYIUPASA-N	691.593	7.167	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccco1	408836876	WNAVVMONYULBHP-XODNFHPESA-N	566.850	5.988	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408838446	FLGBJBYQXOHBFW-KULFSUQXSA-N	666.970	8.496	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)cc(Cl)c4O)cc3)cs2)cc1	408840079	XKYJFWYENSWRSK-KKMKTNMSSA-N	541.858	6.748	50	40	KKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl	408842182	NLAWPIODRMCSAY-YPXUMCKCSA-N	517.360	6.304	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC#N	408842334	KJNWYOMNCRGASU-AMVVHIIESA-N	552.443	6.535	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC	408844996	PWYQATZNDSJTDC-KBVAKVRCSA-N	547.080	7.243	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cc2ccccc2o1	408848513	VQELAITZIVWPCG-PPDIBHTLSA-N	701.096	6.747	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1	408854725	BVABHXVTPBHNRQ-GMEAVFFOSA-N	543.667	7.503	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408860644	AXEZWSJIANGTRQ-FJEPWZHXSA-N	571.486	5.513	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1Cc1cccc(F)c1	408866735	IJJGKLCXILFZKW-CIAFOILYSA-N	507.403	6.686	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Cc1ccccc1Br	408867443	MLLDWNBJAXPNMF-YBFXNURJSA-N	540.255	6.665	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408871203	YTWJDJJBWPCOJD-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Cc1ccccc1Cl	408874269	ATKJSBXWFPQCGK-UDWIEESQSA-N	509.831	6.946	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1Cc1ccccc1F	408878480	BDVJHHQIKUAMEJ-WOJGMQOQSA-N	512.322	5.575	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccc2ccccc2c1	408883859	RMJAVAFBAQERKP-VULFUBBASA-N	557.046	6.711	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408887442	OLLILUBJJSUVDP-WOJGMQOQSA-N	531.417	6.014	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1	408890339	RPKJRPRIKGYFCA-SRZZPIQSSA-N	509.831	7.152	50	40	KKGB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2OC)cc1	408899912	RWFDCHHDQDYMMN-GZTJUZNOSA-N	633.236	5.836	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1	408945732	LHILXQDQCCIQRM-MHZLTWQESA-N	842.348	6.280	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408980313	QMNMHANBPMVUJO-UPSBPNDASA-N	506.389	6.265	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c2ccccc2)cc1	408981248	VNRCMAXNLOIMFM-ZCGOLBPFSA-N	567.023	5.377	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)C(=O)NC[C@@H]1CCCO1	408991391	NRUYFBGEBJILRO-BAILOTOSSA-N	556.625	5.043	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)ccc1OCC(=O)Nc1ccccc1C	409013960	ODMAGWOVMDAKPF-XKJRVUDJSA-N	550.826	5.510	50	40	KKGB	
CCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	409034872	ORQWTPPFBSXRHH-MUFRIFMGSA-N	505.043	7.068	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409050383	VESOXHOBZUFYCE-DLCNMLRHSA-N	727.315	7.593	50	40	KKGB	
O=C(N/N=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)c1cc(Br)ccc1O	409065819	ULGJSBKKSCVYKG-NCAUGAEKSA-N	515.726	5.447	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1	409083344	OBMIHPRPFLCAED-RIYZIHGNSA-N	618.194	6.375	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409092302	TZNPFQXLYBQQRV-OQLLNIDSSA-N	551.309	6.662	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c2cccc(Cl)c2)cc1	409128950	QAMRJOYOYKDRSN-ATZGPIRCSA-N	632.953	6.580	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409159397	TXRKIDPXBGHRFJ-FJEPWZHXSA-N	532.855	6.793	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1cccc(C)c1	409220096	YDRFJTQOVAEJEX-UHFFFAOYSA-N	590.463	6.936	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)c2)cc1	409220412	YXPBZSRWDDPCDA-UHFFFAOYSA-N	586.442	6.002	50	40	KKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409225072	OJOCRWFKCATMNQ-ACXHZZMFSA-N	577.380	6.137	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1ccccc1	409248309	PLGAOPGSCVLNQJ-LPANUZLBSA-N	590.315	7.728	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(N)=O	409252907	ABVXWNWJPZQGLV-YNFMAFFXSA-N	641.491	5.103	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl	409264100	JTBDKALZUZDCON-LICLKQGHSA-N	542.792	6.113	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)c1	409267884	POIXQVMCTMRNJW-PPDIBHTLSA-N	506.773	5.437	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409269527	KAEPNELJKMLKEM-QDTIIGTASA-N	589.830	5.499	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1OC	409315053	MTIOJSOLDKXCNW-NUJZUDFISA-N	503.357	6.049	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409366704	XOLLLXCRWSJHJF-VYYCAZPPSA-N	573.387	5.097	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409372099	FLHMUJSSZJTIEF-AMVVHIIESA-N	647.161	7.479	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409373359	HTSDPODZQOMRPS-JAIQZWGSSA-N	532.394	6.374	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3OC)c(Cl)c2)cc1	409376995	DIMXNILUWCFSBM-XMHGGMMESA-N	505.958	5.310	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(/C#N)c3cccc(F)c3)cc2Br)cc1	409391923	KHZBZTJQOUUBEM-OCKHKDLRSA-N	501.193	7.302	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)[nH]c12	409394619	CWDXHYINOQHASQ-UHFFFAOYSA-N	714.241	9.212	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395890	SWWJTEKHOHBJFC-UHFFFAOYSA-N	730.196	8.379	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccco1	409399361	ZWSOSNSPHRNWEY-UHFFFAOYSA-N	552.801	7.371	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409400859	FTLBVHIRZTYSPG-KWMKVIAQSA-N	574.590	5.269	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc(C(=O)O)c1	409405732	UZGFXHSMBUCAOC-UHFFFAOYSA-N	672.532	7.078	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccco3)o2)cc1	409407768	HLXSLWUMSYLMEV-VTNSRFBWSA-N	602.441	6.605	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1O)C(/C(C#N)=C/c1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCO2	1728354	IFRXMHLFSUFTJL-HICUDPMHSA-N	560.220	7.738	50	40	KKGB	
CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1Cl	2310765	CIRUYKPCYDVCSP-UXHICEINSA-N	504.395	5.333	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	2345797	RVDUUIZXBLIRRK-MZJWZYIUSA-N	512.422	5.492	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1	3116270	QXSQWVDDXBVRDA-MUFRIFMGSA-N	566.249	6.277	50	40	KKGB	
C/C(=N\NC(=O)CCSCCC(=O)N/N=C(\C)c1ccc2ccccc2c1O)c1ccc2ccccc2c1O	4742683	XQXQXNVCKADLIY-GKTLAHRSSA-N	542.661	5.298	50	40	KKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\NC(=O)[C@@H](Cc1ccc2c(c1)OCCO2)c1ccccc1	4822150	SAGRAXWLSPQSAK-FAFLUYSBSA-N	540.491	5.527	50	40	KKGB	
BrC/C(=N\N=C(\CBr)c1ccc(Br)cc1)c1ccc(Br)cc1	5493182	WSWCDAXVRAVEEJ-KBNZVFGVSA-N	551.902	6.195	50	40	KKGB	
Cc1cc(I)ccc1NCc1nnc(SCC(=O)N/N=C/c2cccc(Br)c2)n1-c1ccccc1	8457181	RDEAZMMYEZOUPN-IPPBACCNSA-N	661.367	5.797	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(C)/C=C/c2ccc3c(c2)OCO3)cc1	8984272	GYRUEXVVEXSNKD-BUSWURHISA-N	524.621	5.238	50	40	KKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(Br)ccc4OC)CC(=O)N3C2)cc1	12251058	GEVBPLRIXIHYSV-HXUWFJFHSA-N	512.473	6.020	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccccc1	15012279	FOUGHQUVKXEWIX-PDGQHHTCSA-N	514.750	6.069	50	40	KKGB	
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F	59884840	DRLTZOKWNPBLOE-IURWMYGYSA-N	563.907	5.723	50	40	KKGB	
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H]3C[C@H]4[C@H](CC[C@@H]5C(Cl)(Cl)[C@@H](Cl)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	70664990	ODWXWMUBXIPATR-CYWOTJETSA-N	502.998	6.738	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	96476458	XSNDLPWXEWSBJX-LFVJCYFKSA-N	511.419	7.289	50	40	KKGB	
CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O	97946776	WFGRTDCGAIYGHA-COEJQBHMSA-N	542.639	6.511	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1cccc2ccccc12	97960763	BONFYSUVMSVHRC-FYJGNVAPSA-N	578.381	6.717	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)cc1	97968605	GEDDDEQEEQKECO-WKIKZPBSSA-N	545.231	5.301	50	40	KKGB	
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)c1	97981326	NYHRLLCSXGHDLA-UHFFFAOYSA-N	576.744	5.389	50	40	KKGB	
O=P(Nc1ccc(I)cc1)(Nc1ccc(I)cc1)Nc1ccc(I)cc1	97983192	QGRJRHJLCXWOQP-UHFFFAOYSA-N	701.024	7.245	50	40	KKGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1	98001729	AEHVTSDSNMXZJG-VPUKRXIYSA-N	656.100	5.213	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	98045731	MGNZXAKELJRLBT-XMMPIXPASA-N	545.621	5.735	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100287728	RLEAJTPUTRRFEM-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(O)(c1ccccc1)c1ccccc1	100451150	GEILHKXMYLQQLD-FDAWAROLSA-N	533.397	5.553	50	40	KKGB	
CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4s3)c3ccccc32)C1	100994085	LUWXUXUTUWTXLM-XGFHYFTDSA-N	533.723	5.114	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Br)ccc3N[C@H]2c2ccc(Cl)cc2)[C@@H]1Cl	101147893	KFXQFKKNORQDIZ-QNBQWMASSA-N	550.305	8.049	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1	101555316	PGWPAJVEDSHMQD-SANMLTNESA-N	578.521	7.070	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	102719421	DHCCSUOODNRSCT-LJAQVGFWSA-N	556.663	6.103	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1Cl	103890373	ISFXTWNKFYKTKL-YVLHZVERSA-N	536.242	7.824	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1	103899850	KLXYNOMXDJQCBZ-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1	104953806	GTXUYHQAEWRMHS-CXUHLZMHSA-N	520.185	7.020	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccco1	112254504	TXQQVRSNVOQTKN-NMEUFFFUSA-N	566.411	5.009	50	40	KKGB	
CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341767	DCUSCFXMZIVRNI-KRWDZBQOSA-N	684.403	11.400	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	150385569	GOSPDQQIKZLCBE-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)cc(I)c2OC)c(C(=O)OCC)c1C	150619465	CYFHXPHXGZEGRH-VGOFMYFVSA-N	693.297	5.347	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795281	YTTJEDNFUNDSGW-WDSKDSINSA-N	974.034	11.632	50	40	KKGB	
C[C@H](CCC(=O)N/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	244975146	IDKDEJKAOLGAAX-UAPHWNQSSA-N	604.619	6.173	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12	408526238	BEHMDSUMZISUSO-WCMJOSRZSA-N	532.438	6.061	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cn(Cc3ccc(I)cc3)c3ccccc23)c1	408566653	IFRCIZRGOKYWEL-WGARJPEWSA-N	509.347	5.067	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1	408598455	ATPOQWHXKUGCNL-VTNSRFBWSA-N	688.347	7.689	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408642780	NVJPSTNAUAPGPR-MHORFTMASA-N	631.148	5.464	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21	408655340	RONKJOMGKLSNAU-VUVCYMEASA-N	533.839	5.428	50	40	KKGB	
Cc1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1	408661544	XIAFALDYXCHRJB-CJFMBICVSA-N	526.416	6.217	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1cccc2ccccc12	408677737	UJSZPBOYXPPWIK-MZFJOGFUSA-N	558.476	6.554	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2C)ccc1I	408745072	JLVRZQYIFLTGJK-LDADJPATSA-N	515.782	6.206	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(C(C)C)cc2)cc1	408783231	MRDMVOSOIIFSRT-UHFFFAOYSA-N	525.759	7.091	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408787596	CJNIILNIVCZYOP-FRKPEAEDSA-N	638.643	6.740	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)cc1	408791574	YXBLOUTUGVTNEW-SRZZPIQSSA-N	546.377	5.241	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(F)c1	408791721	BMAWPBKAXBWMKB-GIJQJNRQSA-N	587.345	5.862	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408796974	ZRBIBFPZJQXUPG-UDWIEESQSA-N	550.365	5.659	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Br)cc1	408797592	GSSCUVONOZLBEC-KGENOOAVSA-N	517.810	7.380	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408798292	VWIBLBQFLKDXLO-VXLYETTFSA-N	560.275	7.506	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(C)cc1	408799484	ZGVNAESFDWSOMS-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2C#N)cc1Br	408813438	NYNWLRADBBKTFV-SRZZPIQSSA-N	532.394	5.771	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1Cl	408815291	HELARRMWQBLJSH-FMIVXFBMSA-N	539.202	7.359	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC	408825844	AUUNMQQVRLEUCL-OKCVXOCRSA-N	636.952	5.339	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)cc2)cc1	408830757	OILCSEOHZWAHQT-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC)cc1	408832632	YBLRFNNULXMSEK-ZCTHSVRISA-N	608.514	5.626	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccccc1C#N	408838587	GLJGJHWGSFUVHO-SAEPALGJSA-N	713.601	8.080	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408839529	UEJGCKBRJDNRDI-OKCVXOCRSA-N	632.383	5.501	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(F)cc1	408842905	LSZAXLORTRRICM-HBHSWBPBSA-N	651.480	7.478	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1	408847046	LEILLOOQQSEFRG-ZXSNDDASSA-N	529.596	6.494	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408860123	VYTQULBSQDKJIW-ASPXWBLJSA-N	603.959	6.262	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c2ccc(C(C)C)cc2)cc1	408860875	HBMUBIDBIOMJKL-HPNXWYHWSA-N	612.752	5.159	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	408861510	SDVMDQFLFIISQC-FMFFXOCNSA-N	592.117	5.972	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c(OC)c1	408867744	MTXKAYWNXAFZFK-DJKKODMXSA-N	620.725	6.685	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Cc1ccccc1Br	408868669	NIVKDLCAQANQBP-RQZCQDPDSA-N	549.774	7.266	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(I)cc1	408881954	PECHZWZNWCSNSL-NTEUORMPSA-N	635.168	6.208	50	40	KKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	408882960	PSVNDDGLOIEFBL-KHMIOVBJSA-N	635.474	5.253	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408886194	IUAKWGAMMQFLIF-MZJWZYIUSA-N	531.790	5.493	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1cccc(Cl)c1	408898193	VNMUSXVZXJXPQL-FRKPEAEDSA-N	532.767	6.688	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408904036	CRIOQQLQRMEGCF-FXMZOFOKSA-N	640.217	6.604	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408922766	GZRRXEKIJYGUES-LSYYGSJISA-N	750.430	6.072	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408976235	ABQHXAGGNJQGAV-UJEJHLKSSA-N	506.389	6.265	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OCC)c1)c1ccccc1	408978637	JMWNBONIOWANSK-YKDKEXQMSA-N	568.468	5.754	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1	408979124	LMCZPGCNRKMDER-TUJXVDMFSA-N	524.415	5.356	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1cccc2ccccc12	408989738	LVLQQDJZNCOEEP-YZSQISJMSA-N	523.032	7.663	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(C(C)(C)C)c1O	409002314	NEGMWAGYECZPBR-MVAKIDQKSA-N	661.606	5.632	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409005907	GIXHROCTXMYIKY-RHANQZHGSA-N	589.736	7.425	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409038783	BCHCIWLWYNGHDB-YBFXNURJSA-N	568.855	6.373	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409050297	UDPOLQPULUBQHC-AEUUOICLSA-N	687.335	7.483	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)c(Cl)c1	409054916	WILCLDCYSXBMHA-RPPGKUMJSA-N	583.651	6.358	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)c(OCc2ccc(I)cc2)c1	409062891	CKUOKNPQFXZDFL-CJLVFECKSA-N	581.454	6.271	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	409069296	XANKMIFBYMLOID-OQLLNIDSSA-N	598.656	6.605	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OS(=O)(=O)c1ccccc1	409073025	UOYUYVYOZHYHJM-LFIBNONCSA-N	510.369	5.166	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)cc(Br)c1OCc1ccc(Cl)cc1	409076413	BFTLLEZRNQGJKH-RPPGKUMJSA-N	548.777	5.458	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cccc(Cl)c2)cc1	409114151	CRKQSXVEGXGVHU-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc(Br)c1OCc1ccccc1Cl	409127389	CNEVFYLJWDLPCR-XJECJHNESA-N	718.985	5.946	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1cccc2ccccc12	409195143	ROPPAAMPCNOLPF-HMAPJEAMSA-N	519.439	6.546	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C)c3)c2)cc1OCC	409227993	YVWLVXUPKIUTTR-UHFFFAOYSA-N	723.418	7.553	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cc(Br)ccc4OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)cs2)cc1	409248061	BQXWVODNGWUQQP-RODHXAHZSA-N	689.035	8.368	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409249258	NAOFGSWNCRQLBQ-ACXHZZMFSA-N	515.412	6.532	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(OCC)c1OCc1ccc(Br)cc1	409257699	RVXOQENXRBZCQI-ZTPJUAHUSA-N	594.481	5.798	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br)Nc1ccc(Cl)cc1	409264556	KXIFRZNDOMOCOG-ZRGSRPPYSA-N	521.198	5.537	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1OCC	409316562	LMDXVDMRCREICY-QRQIAZFYSA-N	531.030	5.368	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1OCC	409320429	AWARZSSCACLZRS-UHBFCERESA-N	514.981	6.018	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OC	409323030	MOLHBLGFNANQTQ-FDVSRXAVSA-N	574.859	5.681	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OCC	409324993	VTJHMGDNGSZDMN-LJUMEUDFSA-N	555.027	5.967	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409359793	BYJGEDNYTCJLOS-OKCVXOCRSA-N	501.974	5.885	50	40	KKGB	
Cc1c(/C=N/NC(=O)CNc2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1Cl	409363380	VSIQNQPUVQFMDT-IPPBACCNSA-N	509.835	5.976	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	409380206	KGYQWEBJPMQPMN-LICLKQGHSA-N	604.379	6.048	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCc1ccc(Br)cc1	409383750	DWSQXBWTZBQOPN-VCHYOVAHSA-N	635.346	7.908	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396192	FSGGDRUBEDNYDN-UHFFFAOYSA-N	660.510	7.457	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396309	KVUDOEMCHJHCBU-UHFFFAOYSA-N	751.961	7.409	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397823	OKYDZCCTVRWIDT-UHFFFAOYSA-N	706.977	7.658	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)Nc1ccccc1C	409400048	NKIFHHXOMGPXKO-KOKCXWAISA-N	685.575	7.127	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409400863	FTLBVHIRZTYSPG-ZDSCIVGOSA-N	574.590	5.269	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	409402732	KUKGAQQUFLNHBJ-CPJHJSKFSA-N	638.515	6.132	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCC(=O)Nc1cccc(F)c1	409404769	QXVIIQNNXNWJDA-OCUJFKKWSA-N	768.434	7.720	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccc(F)cc3)o2)cc1	409405326	SUYLTBWJDSBDBQ-AEUUOICLSA-N	625.613	6.095	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1	1529547657	NOUDHQFTVGQCSX-DMFIQNIRSA-N	702.027	5.575	50	40	KKGB	
CCCCC[C@H](/C=C/C=C\CCCCCCCC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1)OO	2061000797	GXHCTYFXBSGOGT-KCGMFPJYSA-N	681.099	13.221	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCC(=O)Nc1ccc(OC)cc1	873420	RFKNKINDJJEEEV-GDLZYMKVSA-N	521.573	5.483	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1	1790177	KRHGHBLDTJFTJX-CKVBZJJFSA-N	567.396	5.561	50	40	KKGB	
CC1(C)CC(NC(=O)[C@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)CC(C)(C)N1	2264523	ROTRKAINVNDRQV-RQUSPXKASA-N	543.182	5.098	50	40	KKGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	3083274	MXZCPEAASUGKRL-YCPBAFNGSA-N	577.056	6.316	50	40	KKGB	
O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl	3112084	JJKZNCKHKOSQOO-JEPNHJGPSA-N	569.444	6.752	50	40	KKGB	
Cc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(F)cc3)C3=C(CCCC3=O)N2)ccc1Br	3277102	LGVNCBXAJXAJEU-HSZRJFAPSA-N	526.431	5.698	50	40	KKGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c2)c(C)c1	3315166	BLLQUNZRWZFQGB-FDAWAROLSA-N	528.678	5.893	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1	4047911	UUQQTWJBHGUIDK-DFKUXCBWSA-N	515.616	8.510	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1I	8406251	KYRDAZIQVHNCRP-SANMLTNESA-N	680.593	6.582	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1Cl	9289377	FEZSWTMNAYFXAK-VULFUBBASA-N	501.764	5.023	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C(C#N)[C@H]2c2ccco2)cc1	12250164	FRYJJIFAEULQQD-NDEPHWFRSA-N	526.662	6.165	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3ccccc3nc2Cl)c2ccc(C)cc2)cc1	33353491	PBSMJKXXDRLXMF-LQKURTRISA-N	539.082	5.264	50	40	KKGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(OC)c2OC)N3)cc1OC	36080573	POSOXHVLIWVOGL-YEISZACKSA-N	527.621	5.702	50	40	KKGB	
Cc1c/c(=N/NC(=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)oc2cc3c(cc12)CCC1(CCCCC1)O3	59732313	XHOPPIZNZLDSAJ-KGGMANCPSA-N	537.701	6.032	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccccc1	97960774	MBXRNLWJJQTHRG-YVLHZVERSA-N	546.646	6.990	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1Cn1nc(C)c(Br)c1C	97965817	GUFOTCZBVPDDHD-RQZCQDPDSA-N	529.822	5.527	50	40	KKGB	
CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C	97978578	RUSKMTKSRJEHQC-DPENNOCWSA-N	614.547	9.342	50	40	KKGB	in-vitro
CC1(C)[C@@]2(C(=O)Nc3cccc(Cl)c3)CC[C@]1(C(Br)Br)[C@H]2Br	98046307	VSGWWOPDSKISBH-LYRGGWFBSA-N	514.483	5.964	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(I)cc1	100063398	YPUCJYDYEPZVIE-WGOQTCKBSA-N	581.863	5.065	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3Br)c2C)c(C)c1	100100516	RNUZNBKJMWXSPN-KKMKTNMSSA-N	563.359	6.619	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)c2C)c1	100122731	ILMROWLQCQMTFB-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1Cl	100226560	MBPXPJPGIMOXFX-MTJSOVHGSA-N	586.857	7.085	50	40	KKGB	
N#CCC(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1	100303042	ZWGSIQUDQPACOU-BRJLIKDPSA-N	548.178	5.150	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	100853931	MPUBUNPYPNHLHK-IVYNLYIOSA-N	528.848	6.712	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100867339	JPLMSLWARUIZFR-CKVBZJJFSA-N	538.854	6.167	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2cccc(C(F)(F)F)c2)cc1	100984380	DRMQPFHSHVTNQY-UHFFFAOYSA-N	551.675	6.986	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	101273173	JUVRCMGROBMSGV-YTTGMZPUSA-N	630.166	7.033	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2OC)=C(C)N1	102807693	IEVXMXHVHZLABH-MHZLTWQESA-N	528.634	5.557	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)c1ccc(Cl)cc1	104766607	MLQLZIUABBFSJO-OCSSWDANSA-N	531.952	5.567	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164700523	ACEHHZIIYMCEMW-STZFKDTASA-N	754.204	6.493	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1	216061377	RVDZVZYUKDXLNU-CCVNUDIWSA-N	580.704	6.997	50	40	KKGB	
N#CC(C#N)=C(C1CC1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12	239425867	VJZCKEQNVPBUPV-GEIIOTBESA-N	502.017	6.961	50	40	KKGB	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21)N1CCCC1	245231555	GBKPKVQLURYXHU-RWDMXNMGSA-N	579.078	6.778	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC	408539979	LHGSZNBDMSLSEE-XSFVSMFZSA-N	521.293	8.024	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408540882	CJJNFQBOSZYJPU-ZDLGFXPLSA-N	558.759	5.767	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccc(Cl)cc1	408545365	YGJLKXGFXKWNTO-GRSHGNNSSA-N	555.812	6.324	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408545399	YMOMOXZAYHYELZ-MNBJERMJSA-N	574.728	5.752	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OC(C)C	408570435	VAJUWMNXROOEDF-WYMPLXKRSA-N	572.490	5.095	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408570831	ZASSWCPQQCWODF-CCVNUDIWSA-N	618.531	5.953	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408598561	DKRUTLBKLLQXOL-CAOOACKPSA-N	516.837	7.767	50	40	KKGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1OCc1c(Cl)cccc1Cl	408606979	MTLNDTQSBJEBCQ-OAHLLOKOSA-N	518.372	5.216	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408641061	JKKUWXCYFAMONY-FQEVSTJZSA-N	595.222	6.089	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408647219	WSMDNLCJFZGMEM-PYJZQUQOSA-N	673.185	5.687	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1	408745353	MCLCLBIWSXBRSF-NHFJDJAPSA-N	524.580	7.574	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1F	408746863	WWXFSQXYBQZZKY-YVLHZVERSA-N	562.766	6.217	50	40	KKGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I	408756968	YQUZTAWHGRDETJ-QPEQYQDCSA-N	633.021	5.216	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1	408782516	JNMLPNDFLBZARB-TWKHWXDSSA-N	517.573	5.334	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1C	408794530	SMIFMOONKNVZDY-UDWIEESQSA-N	587.255	6.795	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(Cl)cc1	408820473	WJTSZJJOWVBKSM-WQRHYEAKSA-N	529.793	6.765	50	40	KKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1Br	408821852	KVCIXAXSNPXSMT-PXLXIMEGSA-N	501.380	5.894	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408823793	GGWGGXCPYZEMMM-LFVJCYFKSA-N	529.423	7.697	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Cl)o2)Cc2ccc(Cl)cc2Cl)cc1	408824084	PHQIJSWYIHHUAW-CNCDYAKUSA-N	633.941	6.028	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408825049	IYSFDKRMTBIXPC-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408826813	LJSYHXJTGVKAHQ-OVVQPSECSA-N	668.385	9.068	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1cccc(C)c1	408829255	FHFSAWVURZFQLE-JVWAILMASA-N	553.058	7.669	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408838139	RTVGDNSOKBCPLE-JGRMKTMXSA-N	568.699	5.676	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)o1	408840929	DRMSVZFOGIZXAY-KVSWJAHQSA-N	529.500	6.075	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(O)c(I)c4)cc3)cs2)cc1	408846084	QPIQLHACCYYTSL-KKMKTNMSSA-N	633.309	6.699	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(I)c2)cc1	408853217	ZXWKBSFCBJMJPP-MBTHVWNTSA-N	600.254	6.289	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	408857722	PNVSKPNUZVKRGE-FZKWRIDDSA-N	541.482	7.931	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccccc1F	408858358	YMRFFZACZMAZKY-ACXHZZMFSA-N	551.412	6.805	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408868478	OZIDXORZVPERGH-DPNNOFEESA-N	597.568	6.617	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1	408878968	DLOMLIWLHJRHAF-BRJLIKDPSA-N	647.139	5.514	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccccc1Br	408881376	MWMYJESMFBJPQT-UDWIEESQSA-N	661.290	6.364	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(C)cc2)c(I)c1	408881741	OHVRCKAUDIWTSA-KKMKTNMSSA-N	705.128	6.318	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Br)C(=O)Nc1ccccc1Cl	408886878	JPBAHKIDTMQZNO-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(I)c1OCc1cccc2ccccc12	408890839	ZZIJGKIOXGRUMG-FJEPWZHXSA-N	623.472	6.416	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408897866	UJUIUNVFXCVXQM-WOJGMQOQSA-N	586.420	5.296	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1Cl	408897982	JQBXENUEAIHGDF-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OCc1ccccc1Cl	408898543	WQVHCVDYSMFCGN-GIJQJNRQSA-N	603.800	6.295	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408904325	HYLVNDPJAAHIIX-NVJOKUIPSA-N	585.342	5.033	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(I)c1OCc1ccc(Cl)cc1Cl	408924315	HLWFUYMCONVBKU-FRKPEAEDSA-N	583.209	6.002	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	408944166	IODWADDVBJXYAK-MHZLTWQESA-N	740.891	6.873	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)c(OC)c1	408950377	HBQTYQXQMXMSFG-MOEPSENCSA-N	732.959	5.252	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc2ccccc2c1	408951004	KRCJLEHOOWVJQH-YSMPRRRNSA-N	536.031	6.828	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)c(OC)c1	408952487	KMFLMIHYVRHDBA-PDQWDMBESA-N	811.855	6.015	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	408953235	XEQNWYZUAVDQKO-MHZLTWQESA-N	645.540	5.597	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Br)cc1	408961184	BGBGFSPERHBXEJ-XKJRVUDJSA-N	541.751	6.473	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2Cl)cc1	408962847	KEGPKWIFEPGDCO-VPUKRXIYSA-N	511.283	6.053	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCCOCCOc2ccccc2C)c(Cl)c1	408964027	MBVKWTDXTXUKIG-PXLXIMEGSA-N	525.432	6.630	50	40	KKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408972320	RLSGQQULXBDHSX-KKHMAWIASA-N	544.479	5.994	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1	408972745	WFHINQNQYOTABT-QYSJHNCLSA-N	611.545	6.892	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br	408979303	MIZHPMCANXVAJR-WWUWQWKFSA-N	585.296	5.788	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408983083	KFVOGEHVMFYDRM-JAIQZWGSSA-N	590.732	8.571	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408986084	ZLBCGOSNMBDIGJ-VCHYOVAHSA-N	556.800	6.452	50	40	KKGB	
N#CC(C#N)=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1	408988402	DIUZVWQFBSSJBF-UHFFFAOYSA-N	517.979	6.692	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	408989194	KJQXEBAFZBOGBQ-UUYOSTAYSA-N	555.889	8.207	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)n1	408991350	NLSDADJUKSUROJ-OVCLIPMQSA-N	506.525	5.325	50	40	KKGB	
Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409010663	DCXKSSSELAMDSX-LEOKNCPESA-N	593.555	6.673	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)cc1	409011416	NHGFMAIIWAGSKT-CDCQZBGOSA-N	623.665	6.470	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(Cl)cc1	409024802	HLVQVPBVOPUBPB-MZJWZYIUSA-N	508.987	5.077	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409045128	HUPIOGWXJCRGGG-KULFSUQXSA-N	652.003	9.256	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	409048187	RBADOZIOGZVXOA-VXLYETTFSA-N	528.200	7.071	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	409139295	CHCLFLSKXHWIIB-KKMKTNMSSA-N	585.225	5.958	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409155896	RPMZIIUHDXCXAT-IURWMYGYSA-N	683.330	5.720	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)cc1	409156558	GIVBHOCGYPQUAY-VWJSQJICSA-N	666.356	6.050	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)Nc1cc(Cl)cc(Cl)c1	409164683	MAORMHSWFZDMFF-IPBVOBEMSA-N	582.213	5.001	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12	409220237	ZVBJFEHIWGQJND-KWJVIYIFSA-N	596.086	6.389	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409220442	ZQTDQGZAUVIFCD-XDKVNKHJSA-N	598.999	5.892	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409224619	MSOFWAAULZZCSP-VZJZZVQYSA-N	603.418	6.537	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)c1	409253047	FYIUQMPYZSIWDY-QMRORBIVSA-N	630.557	7.950	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1	409261221	AYOPLXPWKBZJCP-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409265515	IRGSQTMZOVKVAU-VCHYOVAHSA-N	601.828	5.825	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)c2)cc1Cl	409265935	VCZLGGXCABICEA-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409267421	UQUCFJLZJJVNCY-GZOMZLSJSA-N	712.670	8.422	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409271200	KJKQHKIRBCNJGG-KOKCXWAISA-N	698.643	8.113	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1	409323757	QBWZODKGJAJFFY-OHUYPAJKSA-N	559.018	6.359	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OCC	409327676	VYWWXWANAFHFSA-UHBFCERESA-N	583.435	5.462	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1OC	409331176	FLQNHEFGNCAYCJ-NUJZUDFISA-N	619.310	5.709	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)ccc1OC	409333356	OONKPAKPYJTHFH-VYYCAZPPSA-N	517.807	5.853	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCC(=O)Nc1ccccc1	409371763	NOZSUXBQZKNSQR-PDGQHHTCSA-N	542.348	5.911	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc34)[nH]c2c1	409391707	KVYCQPOGJGLNCA-UNOMPAQXSA-N	500.385	7.675	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)cc1OCC	409395910	TWGOYABLTMQUIA-UHFFFAOYSA-N	695.397	8.685	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccccc1C	409402215	JBGZUXHGOFLCPI-UHFFFAOYSA-N	641.124	7.018	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccc(C)cc1	409402234	JHTCSWZINBIQST-UHFFFAOYSA-N	685.575	7.127	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)o2)cc1	409404212	PJYGHHSTIFMPKR-WKIKZPBSSA-N	553.369	5.406	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2	409406993	YKUSQWWRLSYKIU-QMRORBIVSA-N	638.633	6.255	50	40	KKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Br	409407429	ZSYOSAUAMURXAT-XVIDZLOXSA-N	643.376	7.732	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OCC)c1	1529548467	HCCMLQLSXBXKBJ-XQTSXZJRSA-N	695.636	5.620	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	1529548988	RNVPDJKSDPPYRL-VOSMKULASA-N	736.472	6.229	50	40	KKGB	
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)c(OCCOCCOCCOCCCCCCCl)c1	2171432753	UABTZMQNIWDHGQ-JGNAJVFASA-N	799.431	5.605	50	40	KKGB	
CC(=O)Nc1ccc(-c2csc(N(NC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3)n2)cc1	708603	FFUQIMIOSRVISK-UHFFFAOYSA-N	535.423	5.523	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	1769520	KUNHRKDRVRHOSK-QGOAFFKASA-N	547.976	6.959	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccc(C)cc3)n2-c2ccccc2)cc1	2097411	JMUFABLDLKVOBG-SHEHFHRDSA-N	514.655	5.217	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1C	2730462	IQMMJOMHRLQAQW-UVHMKAGCSA-N	512.056	6.088	50	40	KKGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)=C(C#N)[C@@H]1c1ccc(C)o1	3303222	GOVTYJXZCGCUBP-HHHXNRCGSA-N	511.603	5.476	50	40	KKGB	
O=C(CCl)Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1	8754884	YSYLFVXMZOYZKV-UHFFFAOYSA-N	508.228	6.256	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1	9109240	UMESHUVBISPXBI-NRFANRHFSA-N	515.791	5.505	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	9347649	YTWRPZDYDJFXOL-LFVJCYFKSA-N	512.590	7.713	50	40	KKGB	
O=C(N/N=C(\c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)o1	13940755	LFJOVXKKQMSJEG-GZZLJNBRSA-N	502.414	7.167	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1	32519998	BVUTZAPEZGHOLG-LGJNPRDNSA-N	512.012	5.420	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCc1c(Cl)cccc1Cl	33679222	XKCAPUNCPGXZSE-WKULSOCRSA-N	514.409	5.622	50	40	KKGB	
CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1	97944548	DWHGAGJAFNWXDC-FHABADQPSA-N	726.378	5.242	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	100127447	LZLZNWGOZFLRNY-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1OC	100302199	XGWFVMVVKAJYRU-STKMKYKTSA-N	592.117	6.215	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1OCc1ccc(Cl)cc1Cl	100371045	XSWALEYHEMPCSB-KCSSXMTESA-N	535.427	5.967	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc4ccccc34)nc3sc4c(c3c2=O)CCCC4)cc1	100858824	RGGWFRSQWAIOKA-LJUMEUDFSA-N	538.698	6.030	50	40	KKGB	
COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)c(C)c3)C2=O)cc1	101084893	NABLYYONOSCHKZ-NNHPPCHPSA-N	518.038	6.030	50	40	KKGB	
COc1ccc(-c2cnc(CN(Cc3ncc(-c4ccc(OC)cc4)o3)C[C@@H](CCl)n3nc(C)cc3C)o2)cc1	101162532	PFGUZKOCCDUHGS-XMMPIXPASA-N	562.070	6.309	50	40	KKGB	
O=C(N/N=C/c1ccc(OC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1)c1ccccc1	102416518	YYWCKPIVMNNZIZ-KZEONIMMSA-N	532.427	6.305	50	40	KKGB	
COC(=O)c1nc(-c2ccccc2)oc1NNC(=O)c1nc(-c2ccc(C)cc2)oc1Sc1ccc(C)cc1	102436067	VPFCSPZDQILSKY-UHFFFAOYSA-N	540.601	6.308	50	40	KKGB	
CC1(C)CC2=NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C(C#N)[C@H](c3ccc(Cl)cc3)C2=C(O)C1	102502565	FCAMAHFJKIGTHO-QHCPKHFHSA-N	546.907	7.924	50	40	KKGB	
CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3F)=C(C)N2)cc1	102807238	YFNXRKKBQMUTDI-NDEPHWFRSA-N	544.652	6.468	50	40	KKGB	
CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527894	QQYRTQIWNHAGLQ-YFKPBYRVSA-N	516.079	6.719	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1	103884188	UGCNHQXGDOGDBB-ULJHMMPZSA-N	546.465	5.683	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1	103885642	RGFZGLPZSJDLEN-GRSHGNNSSA-N	561.217	5.781	50	40	KKGB	
COC(=O)[C@@]1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]2(C)/C(=N\NC(N)=O)C1	105342971	UEHPPJREDWXIJQ-UCJFIPCGSA-N	581.798	6.447	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3ccncc3)c3ccccc32)cc1Cl	112255805	VYLGIMAUCHKRAF-AXBAISPRSA-N	547.014	5.010	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	112263933	PASBQGFYSAQRRS-LGJNPRDNSA-N	536.651	6.137	50	40	KKGB	
CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341274	OAFMZZLBUKLTFJ-ZCFIWIBFSA-N	980.169	12.827	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342331	QOSQOQDIQHMKPZ-UWTATZPHSA-N	942.051	11.564	50	40	KKGB	
CC[C@@H](CCl)[P@@](=O)(OC[C@H](Cl)CC)O[C@@H](c1ccc(Cl)c(Cl)c1)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	150385748	HTNSEKFWRQMWCT-MFUKTFIKSA-N	683.201	10.514	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	150426857	WAWAYNLTDTTZLJ-RPPGKUMJSA-N	630.651	6.201	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	162477035	XWSZGMABMGOZRV-FABQOPTDSA-N	715.464	6.762	50	40	KKGB	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O[Si](C)(O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C	263596784	GAXCSAJQPMKJSH-UAWOAHMUSA-N	905.390	13.306	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)ccc1OCc1ccccc1	408538908	REGRWXOYOUZDHH-YDZHTSKRSA-N	593.894	8.359	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1ccc2ccccc2c1	408548046	CJAQZPLPLNTBLG-JJFYIABZSA-N	600.681	8.503	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551898	GVICRHQPZUYEQM-RQZCQDPDSA-N	532.221	6.846	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554670	SQFRVRFJPCZPFD-FXMZOFOKSA-N	630.120	6.308	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1cccc(C)c1	408570484	VTSIZGXUVOZOLE-STBIYBPSSA-N	522.692	5.980	50	40	KKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1Cl	408691950	ZQLNVSCFXQXIJF-NVMNQCDNSA-N	557.275	7.690	50	40	KKGB	
CCCCCCNC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)NCCCCCC)cc2)cc1	408720492	RHTNLKLPRGMXIW-UHFFFAOYSA-N	540.897	5.848	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1Br	408744108	WUHIZSRIBYTOCH-HPNXWYHWSA-N	655.390	8.665	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)c1	408745858	POBGDTWHQMIPSN-ZDLGFXPLSA-N	546.248	7.279	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408751922	AKKPOEBYUWKENU-JFLMPSFJSA-N	584.404	5.051	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc2ccccc12	408766270	TUGFKNWZTJJMFB-HMAPJEAMSA-N	517.412	7.670	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccccc1Cl	408792919	CBFNJDSETAXEDH-CXUHLZMHSA-N	583.640	7.376	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408793555	FITQDSHFKUTJRF-REZTVBANSA-N	606.101	7.515	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408795693	MIIGBNLOOCZEQR-CIAFOILYSA-N	505.958	6.388	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1Cl	408808184	FJKHBOWEKSVBET-WOJGMQOQSA-N	510.377	5.874	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408814894	GREDPFBWAQKAGG-JAIQZWGSSA-N	572.374	5.250	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408824626	GZKIVOBMMGXDHG-IBBHUPRXSA-N	606.915	6.403	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccc(C)c(C)c2)cc1	408828292	LXNTZDHJTWMFIN-ALQBTCKLSA-N	602.688	5.114	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1OC	408831662	HBJZHUXRNQECMQ-KPRPFPDJSA-N	820.173	6.989	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408838864	JLRWRTBCTQFUKU-KVAAJVFYSA-N	672.561	7.884	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccccc1Cl	408840022	AIHIXRRQNPREGZ-HIWRWHBISA-N	575.012	6.839	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4ccc(Cl)cc4)cc3)cs2)cc1	408843021	LEXXMLFXMVBRLQ-KVAAJVFYSA-N	631.983	8.621	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1	408845810	HPEYXDBAWVTITA-KMUKQRDJSA-N	688.376	8.229	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408860114	SHSOHXTUTBRGJE-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c2cc(Cl)ccc2C)cc1	408862855	IOJHTAMCLATDGX-NLCQWKJPSA-N	633.170	5.559	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c2cc(Cl)ccc2C)cc1	408862874	NHHKYYBVKSOCBU-RWPZCVJISA-N	577.932	5.131	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(OC)c1	408868213	NANMHARRPZFOTF-RGVLZGJSSA-N	541.829	5.922	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c(OC)c1	408872046	JONYRXFYUXVMKK-RGVLZGJSSA-N	541.829	5.922	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)c(OC)c1	408875140	DKRBJGCTLXFCQB-WYMPLXKRSA-N	636.340	7.184	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408879181	BDFOBKAHESKLKP-QDTIIGTASA-N	536.253	6.806	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1	408882627	PQSIBZACLBWXIY-LUOAPIJWSA-N	589.644	6.603	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1	408888450	VPZMUPGFAMQUHQ-FMFFXOCNSA-N	500.683	6.958	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OCc1cccc2ccccc12	408889404	GFYOZHZTMSXAQH-FMFFXOCNSA-N	524.020	7.026	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408895592	NKTFBRXFYQERGM-RIYZIHGNSA-N	631.129	6.832	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1I	408896630	SPHYQPHFDUPQIE-NTUHNPAUSA-N	603.154	5.057	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408904549	LGMCRIHHIMRLNN-NUJZUDFISA-N	595.406	5.592	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)cc(C(C)(C)C)c1O	408926761	YHEHQYYOXOCOKB-HNSNBQBZSA-N	565.552	7.412	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(OCc3ccccc3Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408948721	DIWNQMLPWGBFKP-FDAWAROLSA-N	565.047	5.768	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Br)cc1	408953325	PTFXELVEDKFGET-MTJSOVHGSA-N	564.867	6.437	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969232	JWCMYVXGPFTMTE-IFRFXNDNSA-N	742.394	5.194	50	40	KKGB	
CC(C)Oc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1	408971479	GGNZPCVPQATRMY-KDCBTHRKSA-N	542.463	5.426	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408978527	IXYASLVIZUOZBG-AXMMYCDFSA-N	552.587	5.194	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc(Cl)cc1Cl	408981902	DOFCRAXGYHSPKE-GIJQJNRQSA-N	641.720	8.083	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	408986662	CTXUXCFPMQFOBA-KSIXQZGUSA-N	603.510	6.016	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccccc1Cl	408994319	YLHNXOPJIXHSEL-HYARGMPZSA-N	507.417	7.164	50	40	KKGB	
CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	409020119	ZLQJEISTIGNRRL-ZRURCZBKSA-N	536.843	5.967	50	40	KKGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409035955	KQURHMYTFQJUOQ-MBTHVWNTSA-N	553.254	6.589	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409036348	RCDMULMSNIHDCD-MUFRIFMGSA-N	565.493	6.878	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3OC(=O)c3cccc(C)c3)cc2)c1	409043224	YJDAGAXJVUOVPQ-OBGWFSINSA-N	533.584	5.249	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409056065	KPQGVAMGFJHKIM-XDHOZWIPSA-N	520.383	5.329	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	409071743	PTNUYLQJPCGJMT-OQLLNIDSSA-N	507.782	5.960	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409079461	GATCRMSBXOAVRM-SXGWCWSVSA-N	526.214	5.109	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409126690	MNZZQZFJHIOIHY-SANMLTNESA-N	522.045	5.310	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409136012	VUIRMHQHSZJERN-FQEVSTJZSA-N	564.661	6.259	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1Cl	409145239	NMZNHEDIIKFNAL-LGJNPRDNSA-N	555.281	5.097	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)cc2c1	409187875	VJEUCTDUDREGQR-MNDYBZJGSA-N	527.404	6.880	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)c(OCC)c3)c2)cc1OCC	409222514	DNAZUBUNWVWJPB-UHFFFAOYSA-N	609.679	6.427	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409226661	QPNXVFOTNSYWGS-UHFFFAOYSA-N	665.294	6.176	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1ccccc1	409228135	UOAMJMQBJHTKES-YIRYVTQCSA-N	511.419	6.966	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409248244	CYKYWQKSIQIEHA-XKZIYDEJSA-N	518.013	6.227	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409251323	PKUAELRGBCZKIO-RGVLZGJSSA-N	629.882	6.523	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(N)=O	409258873	VVDFORSNXKKYRN-PNQUVVCRSA-N	614.909	5.606	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(C)c1	409272392	PXJJZFMABOCLFX-XDHOZWIPSA-N	538.829	6.283	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1cccc(Br)c1	409310191	RWNMVABCVPFNKB-ROUUACIJSA-N	526.239	5.427	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OCC	409319091	ACIQSFBLJBFYAU-LQNQUEJISA-N	584.467	5.427	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409319092	ADBLSRDALWYFEQ-PMACEKPBSA-N	568.866	5.155	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409323549	PYXVYPFDWCCKQF-MZFJOGFUSA-N	595.073	5.858	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1OCC	409332765	MDMQTIBUJNPHHW-MNDYBZJGSA-N	608.302	6.881	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	409374168	ZMISVCVMYAXPKG-IPPBACCNSA-N	707.262	6.309	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409394678	DMWSOYWJJOHBRS-UHFFFAOYSA-N	620.425	7.908	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409395142	KIDKEYBWQCMUOZ-UHFFFAOYSA-N	679.296	7.211	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	409396791	BFICIVIFLFBZNR-UHFFFAOYSA-N	593.636	6.243	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409399308	ZHTYTHOBIPCEJS-UHFFFAOYSA-N	552.030	7.179	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(I)c3)o2)cc1	409399884	ACZJUTDLEZAVRE-VHFSBPNMSA-N	722.967	7.306	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4ccc(F)cc4)c3)o2)cc1	409407497	ZWSBZKAHTXOAHT-FZKWRIDDSA-N	537.591	6.748	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	1529547838	PQQCTEOVHBPTQB-UUTVKSQHSA-N	672.001	5.567	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(C#N)cc2)c(OCC)c1	1529548606	JWUWLOMCKNBHSV-PNPVWECISA-N	706.619	5.183	50	40	KKGB	
N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@]12C(=O)N(Cc1ccccc1)c1ccccc12	2414407	YWARIZZMBKRRBH-MGBGTMOVSA-N	521.580	5.458	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)sc(C(C)=O)c1C	2447916	CBXQUIUYOVFPPK-JCMHNJIXSA-N	513.644	7.203	50	40	KKGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	4086262	XUYBTIWOPKUKSO-FOWTUZBSSA-N	507.352	6.272	50	40	KKGB	
CC[n+]1c(/C=C\c2ccc(N(CCCl)CCCl)cc2)ccc2cc(NC(=O)/C=C\c3ccccc3)ccc21	5732317	YCEITDDMGDMFID-ODLFYWEKSA-O	545.534	7.254	50	40	KKGB	
CCOC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Cl)cc1)N2	6089610	KNUBFFHFWORXOG-YPOOPGCJSA-N	543.472	7.464	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(F)cc1	12576877	QVTQUBUKIGYADW-LICLKQGHSA-N	504.867	6.631	50	40	KKGB	
O=C(/C=C/c1ccc2ccccc2n1)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	13098464	MYPQFUQFLDBWRI-YUVCGMHUSA-N	503.480	5.877	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCN(c5ccccc5)CC4)cc3)c2C)cc1	28217190	ZARURWXSECALFP-STKMKYKTSA-N	505.666	5.489	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1cccc(Cl)c1Cl	97962936	YBFSCFYBRRCXDK-XSFVSMFZSA-N	523.397	6.460	50	40	KKGB	
C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	97965743	DYQGRMXSTLYEBI-QNVXDBMFSA-N	539.451	6.130	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1	97966495	FWGOURFFIGEGQQ-WUCCDAEOSA-N	666.393	7.501	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC(C)=C2C(=O)Nc2ccccc2)cc1	97999510	ZWNNNADJUMMQPE-MUUNZHRXSA-N	603.542	6.554	50	40	KKGB	
O=C(O)c1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2Oc2ccc4c(c2)C(=O)OC4=O)C3=O)cc1	98002760	DGELMJOPZGVRQF-UHFFFAOYSA-N	521.437	5.081	50	40	KKGB	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3ccc4c(c3)c3ccccc3n4C)C3=C2CC(C)(C)CC3=O)s1	98007268	MHCOIMQNNCLGPD-RUZDIDTESA-N	554.745	6.624	50	40	KKGB	
CCN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c2ccccc21	98008187	XSWIKERRXUWKGH-GDLZYMKVSA-N	528.534	6.031	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(Cl)cc3Cl)=C(C)N2)cc1	98048510	CKSDUDOFJVNUBD-SANMLTNESA-N	567.498	6.855	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240437	FRAACYMKDYTKAK-FDAWAROLSA-N	548.064	5.336	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	100405810	XJIULFOXWMCJKN-OKCVXOCRSA-N	551.974	5.269	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)CCCCCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	102087294	SFGVSKXRNGQQKD-IWUPOPMTSA-N	605.165	5.034	50	40	KKGB	
Cc1ccc(NC(=O)/C(NC(=O)c2ccccc2)=C(/S)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	103007934	PZCXCGLZWADTEU-UHFFFAOYSA-O	573.678	6.457	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C\c1ccccc1	103560593	PXPBCHAXWWHKQQ-WPCWDNLNSA-N	611.530	6.584	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	103890420	AECDWMYSQXWFSJ-YVLHZVERSA-N	546.794	7.078	50	40	KKGB	
CC1(C)CC2=NC(SCC(=O)Nc3cccc4ccccc34)=C(C#N)[C@H](c3ccc(Cl)cc3)C2=C(O)C1	104088555	RJWIIPGVCLWRSY-MHZLTWQESA-N	528.077	7.771	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1	104402992	QXYPDOZFFUAEGN-FDAWAROLSA-N	547.449	6.743	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c2cc(Cl)cc(Cl)c2)cc1	150385717	JCFSRSFCBNXABU-QNVXDBMFSA-N	637.511	7.074	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1cccc2ccccc12	408540728	BELRCWPQOWNYKF-UUYOSTAYSA-N	557.400	6.434	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550008	ANZASPIMOIXTER-BCHBDCPOSA-N	551.770	5.345	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550689	JABJEFHUSJGRMY-RQZCQDPDSA-N	709.322	6.972	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1	408570015	RNBRPJFRIKSCIA-FJEPWZHXSA-N	587.119	6.024	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(Br)cc1F	408570494	VYCFOBDKDJQBSA-UVHMKAGCSA-N	548.503	6.003	50	40	KKGB	
CCc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3c(F)cccc3Cl)CC2=O)cc1	408612308	YDCPQDXQHFOVRN-KRWDZBQOSA-N	516.400	5.770	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408640766	IRQJOQCCFNCCBE-LWSSLDFYSA-N	737.228	6.375	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1OCc1ccc(Br)cc1	408677418	QNNOTHHRAWLLAW-UZWMFBFFSA-N	562.508	6.519	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCc1ccc(Cl)cc1	408711758	JEVKQJVEWAHSFZ-UVHMKAGCSA-N	660.677	6.291	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C(Cc2ccccc2)Cc2ccccc2)cc1	408728799	UJDRCHQUTYEAHE-UHFFFAOYSA-N	603.744	6.662	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408742340	ABGBICGVPKRQLB-ZDLGFXPLSA-N	526.774	6.444	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408743177	FCCHPVHRNCXDLY-NVMNQCDNSA-N	546.248	7.198	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1	408744760	ZUVJPWQFAXCZNZ-WQRHYEAKSA-N	512.201	6.336	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C	408745770	VKKTXTBUCISJDQ-JCMHNJIXSA-N	537.532	6.557	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1	408747023	XZNQWLVBIZSJBA-NVMNQCDNSA-N	531.823	7.179	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)ccc1I	408747959	WFMPLBOWPGBZNA-IPBVOBEMSA-N	711.121	6.563	50	40	KKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1Br	408759258	ASGLDXLTKFTIFZ-GHXNOFRVSA-N	576.026	5.761	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1cccc(I)c1	408774283	YVHNBPBIRQGHGT-NDENLUEZSA-N	525.390	6.032	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1Cl	408790359	PFOXZIFTLCOBFG-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408797370	RDXWFAGJIKZLRA-LICLKQGHSA-N	593.646	6.832	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(Br)cc1	408798776	XEMJWGPZBCUGGJ-RGVLZGJSSA-N	570.281	6.962	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OC	408827198	KLLZKATVJFOFQE-RQZCQDPDSA-N	609.247	6.740	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(I)c1OCc1cccc2ccccc12	408829624	OGAODVQBBIOQCW-RDRPBHBLSA-N	680.542	8.465	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1C	408835398	YRIMAGYCUJPDOT-PXNMLYILSA-N	511.365	5.004	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408836760	VGEWDDPZYXXGMA-LFVJCYFKSA-N	539.975	6.952	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408837126	ZAVBTEZTYRKZNS-JVWAILMASA-N	716.459	10.320	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cccc(Br)c4)cc3)sc2c1	408839047	MBQOURIRJVUJLP-UVHMKAGCSA-N	526.843	6.642	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840450	BIFWUNHSDITRBB-LUOAPIJWSA-N	606.727	7.202	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NC1CCCCC1	408841004	ICMCXSOCHJWNHS-XBQJKBNESA-N	624.763	5.674	50	40	KKGB	
Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408842054	NOQKGWYPBRNGST-LQNQUEJISA-N	562.051	5.044	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408842908	KLGKXMZWSVERMQ-YLYVUXRMSA-N	778.608	8.873	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408844217	MZMHHRCTQCQVNA-ALQBTCKLSA-N	607.692	7.512	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408851132	IUXYVUKXZWUBPE-QDTIIGTASA-N	617.250	6.608	50	40	KKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1	408852608	LURDEKXWJIWECQ-ZXSNDDASSA-N	530.628	6.411	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1cccc(C(=O)O)c1	408859034	SFKHGORXMMELGQ-ZMFRSBBQSA-N	512.360	5.199	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	408860889	HIOQTEKVRYBRHN-HIWRWHBISA-N	618.461	5.906	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408863227	LGIHTIKZYRQEKN-SAEPALGJSA-N	660.114	6.991	50	40	KKGB	
COc1ccc(CNC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408868290	NUQQXWDQSOGMPH-DLCNMLRHSA-N	643.549	5.061	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c(OC)c1	408873973	XYQKKDMAQIHIIN-KEBDBYFISA-N	680.280	5.715	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408876216	NWZGEKSMMCKACX-VXLYETTFSA-N	607.275	7.294	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OC(=O)c1ccccc1	408878944	BVIFTUJEISWJOS-OGLMXYFKSA-N	565.367	5.074	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	408886076	HUXUBOGMZGPLBM-CAOOACKPSA-N	561.219	7.097	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc2ccccc2c1	408886126	IETREOOCIMHXOZ-IPPBACCNSA-N	572.684	7.361	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c1C	408922373	ZVBDETAXDMOXRP-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc(C)c2)c(Br)c1	408922771	HAFBJUXXTVEMIV-KKMKTNMSSA-N	611.128	6.634	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(I)c1	408943561	HVFHNYGFAISZPX-MHZLTWQESA-N	797.897	6.171	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(F)c1	408961559	CYCCQCOQEWKKOQ-XKJRVUDJSA-N	572.296	5.801	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1Cl	408968995	FMGPJOINKQSASR-HNKQZSLISA-N	553.273	5.945	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1Cl	408985287	WHMVBCZYSYIEDH-JJFYIABZSA-N	566.282	8.342	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)cc1	408999135	WOFCPINWRSVNSU-BOPFTXTBSA-N	655.170	8.050	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	409000762	FUQMZCBPIFWMQE-WCMJOSRZSA-N	577.380	6.137	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OCC)c1)c1ccccc1	409003821	VFTKZXBTSVWKHO-INOZVXBCSA-N	647.364	6.517	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(Br)c2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409004731	BPOFHDRLQDVQHC-YNFMAFFXSA-N	682.207	6.771	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409004944	YLKDTJNYSXNUID-VIVICKJKSA-N	729.491	7.058	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1	409026628	UYFNRHXYJOSCHF-ZTCXCAHESA-N	548.640	5.330	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(I)cc1	409041958	WPGIREJPKISLBI-HQDYHJHZSA-N	739.351	7.463	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409064124	BSYNCZPXLRVWCV-HYARGMPZSA-N	507.417	7.245	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCc1cccc(Cl)c1	409064400	GYCNARUHFPOQAU-MFKUBSTISA-N	501.026	7.209	50	40	KKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	409133630	NLRJAZFKCSYGNW-FJEPWZHXSA-N	509.458	7.109	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)[C@@H](O)c1ccccc1	409141309	NBQLXZRWCJUMBV-HTHFWCIQSA-N	691.101	5.421	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Br)cc2C)cc1	409153216	LXLYZMGORDAIKV-FJEPWZHXSA-N	599.869	5.082	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409218722	XUAVWBMWPPEZLD-KBKYJPHKSA-N	569.264	6.486	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409250493	MMKHREMTVVWXHX-WQRHYEAKSA-N	510.377	5.874	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409253893	VVXMPFMYHNQPKG-LICLKQGHSA-N	589.773	5.943	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(OCC)c2)cc1	409254549	XQGNAYMPMFMPGZ-CPNJWEJPSA-N	598.881	6.463	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)cc1OC	409320659	DQPPVWWLOHMXHO-WKIKZPBSSA-N	562.258	5.880	50	40	KKGB	
O=C(N/N=C\c1cccc(Cl)c1)c1ccc(-c2ccc(C(=O)N/N=C\c3cccc(Cl)c3)cc2)cc1	409335791	YHPLQRXOJMYAHB-KUUUIRGPSA-N	515.400	6.188	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1	409365716	WLJNKMFITHOZIR-PDGQHHTCSA-N	508.347	5.460	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc(C#N)cc1	409371450	JQLXFJVATLQJSU-OCKHKDLRSA-N	667.082	7.173	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	409379483	YDXXLUREWNPWFG-UVHMKAGCSA-N	547.247	5.361	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCC(=O)Nc1ccccc1	409386713	RNAXCQBMDSHFAH-UVHMKAGCSA-N	583.420	5.362	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409397261	IANWFPFBFOYZRB-UHFFFAOYSA-N	649.872	7.085	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1O[C@H](C)C(=O)OC	409404256	PPIMGEVODSFOSV-GHPUVNEGSA-N	672.960	6.785	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(-c4ccc([N+](=O)[O-])cn4)c4ccccc34)o2)cc1	409404868	REKUNLDFHYOWSC-KMUKQRDJSA-N	588.624	6.586	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	605692986	CNBLTHBPVHYRAS-DGLSWNLRSA-N	514.911	9.597	50	40	KKGB	in-vitro
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1	1529546379	FTSGGXLNZUUERI-RQQSEGDXSA-N	722.061	6.720	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl	1529548137	APGIHIYDSSIIJJ-JKYKOXDNSA-N	661.995	6.111	50	40	KKGB	
Cc1ccc(COc2c(Br)cc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2Br)cc1	661046	IIZZSMSLZDAIDG-IBGZPJMESA-N	530.220	5.349	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/C(Cl)=C/c3ccccc3)n2-c2ccccc2)cc1	1785772	HWBLGPRZXUGPQN-YDAYMKFSSA-N	504.015	5.417	50	40	KKGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)s2)cc1	2321686	MGPRHUWQHQGLAJ-CVKSISIWSA-N	506.678	6.174	50	40	KKGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	3202285	BKPQRRVGJYKTNJ-BHGWPJFGSA-N	506.194	5.618	50	40	KKGB	
COc1cccc(N/C(SCC(=O)c2ccc3cc(OC)ccc3c2)=C(/C#N)c2nc3ccccc3s2)c1	3265814	ZOCMEAVITZZYBR-XLVZBRSZSA-N	537.666	7.387	50	40	KKGB	
O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1	3368783	CSGCCJUEVKWHLB-BRJLIKDPSA-N	534.204	5.025	50	40	KKGB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Cl)cc1)N2	6445729	VIKSXUJRLQLIDG-FPVDIDMMSA-N	516.406	7.195	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)c1	9323866	YXQUWGGOMLBKRW-LDADJPATSA-N	508.347	5.460	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(F)cc3)=C(C#N)[C@@H]2c2ccco2)cc1	12250167	VADRHJUQFJDVOL-AREMUKBSSA-N	516.598	5.688	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1	59856509	RSHGSXKDOBGCPG-MWAVMZGNSA-N	558.616	5.153	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1)S(=O)(=O)c1ccccc1	97965285	SESOOEBCAZLHBL-NNLKUIAGSA-N	658.607	8.040	50	40	KKGB	
C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Br)o2)cc1	97965603	VMCYFESQRRKUPK-CCVNUDIWSA-N	553.240	6.301	50	40	KKGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1	97980778	LDWBOMUFSWMQIR-PPOKSSTKSA-N	589.117	5.844	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)NCc3ccccc3)=C(C#N)[C@H]2c2ccccc2)cc1	98048562	ARQXNPSKYKIKIW-GDLZYMKVSA-N	566.683	5.248	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)cc(C)c2)=C(C#N)[C@@H]1c1ccccc1	98048788	LSDXALYLEDPLGO-LJAQVGFWSA-N	538.673	6.019	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c1	100125820	YYDPBKIKDJBWKX-UXHLAJHPSA-N	535.069	5.402	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)o2)cc1	100211238	HIZPLEILVFNAOJ-UXHLAJHPSA-N	610.486	5.231	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	100336625	QUZMZCDCPJWRHC-ZDLGFXPLSA-N	544.199	6.772	50	40	KKGB	
CC1(C)CC(NC(=O)[C@@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)CC(C)(C)N1	100848513	ROTRKAINVNDRQV-GESALYCCSA-N	543.182	5.098	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1	100989429	ZXUGSNWEWQWCGG-JSIHEXFSSA-N	538.854	6.167	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)cc(Br)c1OCc1ccccc1	101511555	UDHJGTCIWHSHBW-UDWIEESQSA-N	547.434	6.205	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)c1ccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)cc1	102097136	QPLKZPTUMFSLFP-DRZCSJLFSA-N	548.010	5.936	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)NCCc1c[nH]c2ccccc12	103843976	ONWJYXLYMGRRSB-XHLNEMQHSA-N	577.644	7.467	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1C#N	103884261	OJNKQHOVAQHWBK-XYGWBWBKSA-N	571.475	5.554	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1	150385494	VHMKMTFLQDBRLH-AQLQTECXSA-N	664.911	5.628	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)c(C(=O)OCC)c1C	150557880	QIMJRFUNEJIJIB-CIAFOILYSA-N	640.508	6.168	50	40	KKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	207151216	HBLZRWYLYFVVEQ-BOPFTXTBSA-N	514.334	7.561	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)c1ccc2ccccc2c1	408548866	MLOBJOJRXUHIKR-MYKKPKGFSA-N	638.246	7.564	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1ccc2ccccc2c1	408549272	RUOONGAMKMIYNI-JJFYIABZSA-N	509.230	8.552	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccc(C(=O)O)cc1	408568792	LBJKHFRRTMKJPI-MUFRIFMGSA-N	552.674	5.370	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(I)cc1	408711968	STWNXGLAXFSBAN-BRJLIKDPSA-N	525.173	5.941	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCc1cccc2ccccc12	408712081	YQURRUHSMGLRNG-OKCVXOCRSA-N	584.841	6.839	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(C)cc2)cc1OC	408725248	DQXWJBVDQZWFCM-FMFFXOCNSA-N	567.667	5.664	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1	408727831	SHIBHTNXZCHPAN-KEIPNQJHSA-N	617.724	5.336	50	40	KKGB	
CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)c(OC)c3)c2C)cc1	408746202	CELTWNGIKJJTJU-JVWAILMASA-N	529.422	5.814	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)NCc1ccccc1	408746570	FIFJGAVUGIVJPK-JMIUGGIZSA-N	570.237	5.712	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408749517	QDVWJHJQRZUAMC-LQKURTRISA-N	598.431	5.441	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Br)cc1	408756555	ZVTJPCUKYPALHV-WOJGMQOQSA-N	590.293	6.142	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408764199	QOFVCDTZPJERMA-NDENLUEZSA-N	552.255	8.034	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408781827	FFZILOCBBSEZNF-WPWMEQJKSA-N	564.889	5.155	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408782849	KFLJLNCNFDLRGL-JCMHNJIXSA-N	577.435	5.201	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3cccc(C)c3)cc2Br)cc1	408788107	BBZCDTXRIBGOIQ-OEAKJJBVSA-N	563.448	6.458	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(F)cc1	408788514	KOAVDMREORUYHM-PCLIKHOPSA-N	601.472	7.691	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc2ccccc2c1	408795816	NFMMWBVWIOKIPC-AFUMVMLFSA-N	541.445	7.352	50	40	KKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2C#N)cc1Br	408805748	HKBUNIIDOPCURE-DJKKODMXSA-N	552.812	6.116	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408816914	MLWINRBHZLRXEF-JAIQZWGSSA-N	680.280	5.715	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OCc2cccc(Cl)c2)c1	408826984	JZFSBTZBEKMIKN-VCHYOVAHSA-N	513.377	6.144	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408830068	RAZRLEJYBZKKRO-ALQBTCKLSA-N	651.141	5.029	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408833246	WZHLCNNVDHZZSC-VPUKRXIYSA-N	602.765	7.380	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1	408837372	DJGRSZAUCDGNHM-HKWRFOASSA-N	584.456	6.662	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5cccc(C)c5)c4C)cc3)cs2)cc1	408849366	YADAJDWKJMWUSF-KCSSXMTESA-N	519.674	7.342	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1	408854612	AEUISDGHDOLZIA-WBIBEUCMSA-N	633.373	8.865	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC#N	408855492	DOINXKPQFMDLTF-VQNDASPWSA-N	518.617	6.246	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)cc1	408863769	QPVKSAXNHIWMCW-UXHLAJHPSA-N	595.519	5.211	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1Cc1ccccc1F	408865315	CZHAPFZEWQXUJS-LZYBPNLTSA-N	534.212	7.040	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1Cc1cccc(F)c1	408872833	JNTZNTIJVIOWBG-QGMBQPNBSA-N	513.794	6.695	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1cccc(F)c1)C(=O)Nc1ccc(Br)cc1	408874079	YDMVOBRZRVCDRM-LDADJPATSA-N	514.192	6.487	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1Cc1cc(C)cc(C)c1	408874619	CPQCFHJJTDQTDQ-UFFVCSGVSA-N	570.858	7.015	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1Cl	408880034	GRRFOUFTGXGDIO-YPXUMCKCSA-N	502.612	7.297	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OS(=O)(=O)c1ccccc1	408880500	IBDAVOYLAZLTON-VULFUBBASA-N	606.545	5.468	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408887445	QSEIXRASRYEFDQ-MHWRWJLKSA-N	653.838	5.483	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1Br	408901015	ZGJOQTIVVCRJHI-WUXMJOGZSA-N	621.949	6.989	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408904601	MBLUTWLHTQNAPD-WKIKZPBSSA-N	606.271	6.562	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(I)cc2)c(I)c1	408940837	DAPDCQJBFXKEMW-MUUNZHRXSA-N	810.452	5.360	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OC)c1O	408970017	YRCNQVPNSFWOTN-LTMXGVCASA-N	570.473	5.081	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1cccc(F)c1	408983404	LXOYHLXWTLBWOX-YBFXNURJSA-N	543.820	7.073	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408987302	OBJZNHNSRNBSQZ-MFOYZWKCSA-N	605.670	7.206	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1cccc2ccccc12	408989790	MCLYYULLZHTYGK-OVVQPSECSA-N	537.059	8.054	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408996641	JOSDPCFICLXWFI-KCSSXMTESA-N	631.439	5.991	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409017709	VQZCIFFPVXUIQK-GZOMZLSJSA-N	650.603	7.407	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCC#N	409041026	IYBJAOGVERSHQX-MWLSYYOVSA-N	515.367	5.339	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1	409043514	RJGAXGVKNLVBMX-LZYBPNLTSA-N	509.286	7.276	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)c1nc2ccccc2o1	409044835	CUOVXMUPZCGYKP-CXUHLZMHSA-N	528.175	7.135	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(C)c2)c(OCc2ccc(I)cc2)c1	409063110	HCBGBQSGELGJFB-OGLMXYFKSA-N	541.433	5.789	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409079221	IXXODIMYKONXIT-ZRGSRPPYSA-N	508.199	6.107	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2cccc4ccccc24)c(Br)c1)OCO3	409096238	KEZOVXAQMFZLEP-HHHXNRCGSA-N	527.374	6.128	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	409114679	KVIMINSJTGFBHI-QNKGDIEWSA-N	571.699	5.703	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1OCC	409162044	QPJDDYOYRSTCCM-UXHLAJHPSA-N	602.551	5.286	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)cc1	409175254	ZJRKKLUQVRYNKD-ROPCREHHSA-N	606.985	5.263	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2cc(C)ccc2C)cc1	409185058	QZKRAOHZKHIWHA-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)cc2c1	409187611	SKRFIBODXRWQRR-OHUYPAJKSA-N	586.486	7.344	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1	409188275	YEAKGAWIEBLZFE-CAQPMQTCSA-N	533.024	6.955	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc3c(c2)OCO3)cc1	409218936	LTMGUXFWSIRIIA-KYHGBAKBSA-N	555.974	5.233	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Br)cc1	409219929	WQUWXLYXVXIEKV-XODNFHPESA-N	612.771	7.085	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1	409220446	ZTBRTAWKMIYCEK-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)c2)cc1OCC	409223886	HENZDUFCQJKYOW-UHFFFAOYSA-N	611.651	5.737	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1ccccc1	409240053	JGFXILSAENCGRV-WBRURWICSA-N	506.356	5.721	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1Cl	409249787	ORNISBAMAZKWMX-FPJJECCMSA-N	539.857	6.865	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)ccc1OCc1ccccc1	409305741	XFVBNGFLUSOXGT-FSGOGVSDSA-N	530.602	5.114	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409315830	XAPRLJWNPCOPBY-CPDSRJINSA-N	564.853	6.226	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1ccccc1F	409371736	LQGKZYRMYJDDAB-SXGWCWSVSA-N	505.156	7.133	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OC)c1OCc1ccc(F)cc1	409386210	OWJJYVVEIRADDO-WKULSOCRSA-N	519.554	6.029	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409386568	MXOXCGXBFZWEMP-RPPGKUMJSA-N	562.218	5.261	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(O)c1	409392061	NQIJIGBUVXDGBF-LUOAPIJWSA-N	509.773	5.713	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396398	PEVPISKXIYWIRZ-UHFFFAOYSA-N	660.510	7.457	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)[nH]c12	409397416	JPZCZKLAVXWNQM-UHFFFAOYSA-N	642.108	7.068	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409398116	QSHFETJGTDEXCM-UHFFFAOYSA-N	742.795	8.237	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409398318	SMKKFNMUAPNSEN-UHFFFAOYSA-N	656.444	8.161	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Cl)cc1	1529549088	SNOSONOKHRHZOP-LGKFVODTSA-N	633.170	5.533	50	40	KKGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1	1758767	PUTDCSWOUNNKIU-WKULSOCRSA-N	552.056	5.164	50	40	KKGB	
Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2cccc(Br)c2)n1-c1ccccc1	2097350	HTVUQWBOWCDXAV-RXXZHPLBSA-N	583.943	6.235	50	40	KKGB	
O=P(O)(CCP(=O)(c1ccccc1)c1ccccc1)CCP(=O)(c1ccccc1)c1ccccc1	2309527	ATHCYUFYZRLVDM-UHFFFAOYSA-N	522.458	5.285	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	3192633	FZEYBIOADRANQE-PGGKNCGUSA-N	502.579	6.198	50	40	KKGB	
CC1=C/C(=N\NC(N)=O)[C@@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H](C)[C@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	4266929	NJXPVAVICLRJJI-DWPGNDFXSA-N	545.765	5.847	50	40	KKGB	
CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccc(Br)cc2)cc1	15133494	WGELXHZDBRKLLG-MNOOPJCASA-N	520.427	5.549	50	40	KKGB	
COc1ccccc1CN1CCN(Cc2ccccc2OC)C1c1ccc(N(CCCl)CCCl)cc1C	19321965	JYJDEZUHXBPMJR-UHFFFAOYSA-N	542.551	6.313	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	97950443	WTJBSZUKZCTZRF-XMMPIXPASA-N	539.444	6.293	50	40	KKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)o1	97958984	PCVLBWSSERHYCJ-JJNGWGCYSA-N	535.798	9.691	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)cc(OC)c1OC	100317351	FDTVGBLLRNVSOO-DHRITJCHSA-N	524.580	5.145	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(Cl)cc1Cl	100396957	ZOOWFLAXLKMWMM-ALQBTCKLSA-N	544.869	8.535	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)c1ccc(Br)cc1	100853709	HZGWMHZNHHAVPV-JFLMPSFJSA-N	586.313	5.487	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl	102401460	NPPNOXXMGWXSFU-SANMLTNESA-N	604.157	5.740	50	40	KKGB	
N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2cc3cc(Br)cc(Br)c3oc2=O)cs1	102609966	QZNXXGRSGNOGSN-WLRTZDKTSA-N	548.643	7.159	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	102810060	GMTBAKVAXUXTOO-MUUNZHRXSA-N	561.082	6.803	50	40	KKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(c3nc4ccccc4s3)=C(c3ccccc3)N2)c1	102930173	OMKAGLLFYHMJQH-WJOKGBTCSA-N	619.215	8.929	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N/N=C(\C)c2ccccc2Br)cc1)c1ccccc1Br	102978775	FKPUDIZRQCJHNP-JQMRRPHZSA-N	528.248	6.202	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	103887846	NSNUPQNVAXEMOC-NVMNQCDNSA-N	593.248	7.040	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	103890497	IVKHWSATNVDHLD-YVLHZVERSA-N	591.245	7.187	50	40	KKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)c1C	104136679	MVGFWCRRRFYEQD-RUZDIDTESA-N	506.071	7.234	50	40	KKGB	
C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4cc(Br)c(O)c(Br)c4)[nH]c(=O)c23)C1	104385558	BBZYSWDNSPWNLK-QQCYMQAYSA-N	521.234	5.404	50	40	KKGB	
CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341392	FCTYZMYRXFSNLG-SECBINFHSA-N	872.229	12.091	50	40	KKGB	
O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3Cl)C2=O)SC1=S)NNC(=O)c1ccccc1Cl	150454366	WXGYEASAVCZDKE-OCEACIFDSA-N	795.818	5.269	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	162475600	GTCGMJNRFPPDJO-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C/c3cc(I)c(O)c(I)c3)[nH]c2cc1C	408542924	LSRAPGCBFZXHHY-LFYBBSHMSA-N	541.130	5.159	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)c(C#N)c1C	408547157	SIVZLORTZMWQMC-UDWIEESQSA-N	511.578	5.966	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551448	KULPPJOUYXPXKW-OVCLIPMQSA-N	638.245	5.875	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc2ccccc2c1	408555184	WCZJPMGMQYOUPO-ZVHZXABRSA-N	568.098	7.829	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(C)cc1	408581313	WCNRKGMRLVKBCF-GIJQJNRQSA-N	550.223	7.558	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408606726	ALBYNJQWBGTUFP-AMVVHIIESA-N	534.827	5.391	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408647874	VXCMEYWUXGEDTM-ZYGGUILKSA-N	686.011	6.462	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408649662	YVCVZUZVLDRURA-CGXNFDGLSA-N	708.812	5.783	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1	408676916	ANRJGYWZRJFSMA-GJGHLTEWSA-N	614.707	5.177	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408685333	PBTQZBLFYPHTQX-RDGPPVDQSA-N	633.562	5.582	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408710764	JPHZVVDASXBKIW-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	408737209	LYQZNYVTYLEVPT-KCLRBLMTSA-N	512.610	5.191	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccccc1	408741715	NKCONSIBYUQKAW-AUGOTPMTSA-N	534.663	7.983	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408745645	OAPVCPGJUUWSOS-SXGWCWSVSA-N	536.640	7.534	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)NCc1ccccc1	408747452	OCDGDUKGUDJHIW-GRSHGNNSSA-N	652.124	6.619	50	40	KKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1OCc1ccccc1	408753043	KZAXMYFPJYAOIE-UYRXBGFRSA-N	510.331	5.424	50	40	KKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(I)cc1	408762335	KDBWLRLQYFUJOZ-JCMHNJIXSA-N	530.365	6.569	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408766098	ZHUWGUALEBIVGB-UZWMFBFFSA-N	550.721	6.146	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(I)cc1	408789075	NWNKMLWMCDQCIZ-WOJGMQOQSA-N	637.699	7.230	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408799036	XRHHWGPJKUACCW-PCLIKHOPSA-N	583.438	6.851	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408826627	ICFDYWHNUBZABB-YPXUMCKCSA-N	587.641	6.669	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OCC	408832189	QGAYYZAXOBFTKZ-KGENOOAVSA-N	567.867	7.191	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408834611	LLUILMBZSMJKBY-XSFVSMFZSA-N	525.830	7.016	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408844686	VULPARYXTFZMEE-FMFFXOCNSA-N	587.698	5.245	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)cc(C)c1OCc1ccc(Br)cc1	408850267	JTYOFLJCNAHKGK-LGJNPRDNSA-N	516.233	6.171	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)cc1OCc1ccc(F)cc1	408850921	GJJXOBQRDBYFOL-AAPHRLRXSA-N	598.347	6.186	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408860453	VYRGVUCAFPVHSG-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c(C)c1	408861045	LQDZNVKICYLSAE-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccccc1	408861934	BWHPNHSWFNLAOD-AJBULDERSA-N	544.677	5.147	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1	408864501	WJTMKJKIZGNGBA-VFCFBJKWSA-N	542.499	5.504	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)[C@@H]5[C@@H]6CCCC[C@@]65C)(c5ccccc54)[C@@H]3C2=O)cc1	408874947	GMHIAELTRWWPKF-MSCZDDEESA-N	543.667	5.474	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cccnc1	408878903	DOTNOOGKOVSALI-MRUKODCESA-N	662.063	5.396	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408880759	ILZQTBZTGSJPKE-VPUKRXIYSA-N	602.765	7.380	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408882465	NGJCZHKGASOEDE-JWHWKPFMSA-N	517.673	6.484	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408886201	FEJJSOMYYLVTDD-LDADJPATSA-N	602.812	6.117	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408888685	YXTQFRYTLCYEHA-VIZOYTHASA-N	537.186	7.333	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc2ccccc12	408889908	KSUXKEJTVITUNM-CIAFOILYSA-N	562.409	7.578	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1cccc(F)c1	408889946	LNYRPQFAEDDPFP-CIAFOILYSA-N	523.402	6.674	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl	408890155	OSHWGNLXMSZFOF-OQLLNIDSSA-N	506.172	7.065	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OC(=O)c1ccccc1	408890447	UANOWYUEURKHSP-DHRITJCHSA-N	532.188	5.203	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Br)ccc3ccccc23)cc1C	408895094	LYOGJHAQBNPEDQ-XQNSMLJCSA-N	511.419	7.344	50	40	KKGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCc1cccc2ccccc12	408896961	VAKCBUDKMQDDFG-PPOKSSTKSA-N	516.597	5.814	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1	408946297	MCWCWQOCRYRYSU-GDLZYMKVSA-N	655.148	5.342	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)c(OC)c1	408956686	RNODLNVZMGEUPV-OQMZEJBMSA-N	777.012	5.651	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1cccc(C)c1	408968053	ZELSTWQYDVQPCX-UVHMKAGCSA-N	538.354	5.763	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCCOCCOc2cccc(C)c2)c1	408971495	GKIOUELRBMOVHF-HAVVHWLPSA-N	535.438	6.086	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCCOCCOc1cccc(C)c1	408971768	KXFWKOHUPNVWRU-JJIBRWJFSA-N	535.040	6.376	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	409019905	XYKVHOJNFDKJMK-RXGQVERKSA-N	579.528	6.445	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1	409024039	RYFMPNZYSIOVLY-KYHGBAKBSA-N	587.417	6.101	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409048967	XUIDNOTXRMPBOE-OHUYPAJKSA-N	611.452	6.924	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl	409050065	ZUZYSTXZXOXVOV-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409076878	CMNJWEVDJDWTNE-OQLLNIDSSA-N	574.309	7.772	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409083082	UMJHJAMSNOZQAZ-VCHYOVAHSA-N	545.901	6.681	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409089446	ILWFDHQUEPTFSS-AWNIVKPZSA-N	656.165	7.385	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)cc1Cl	409122596	ADFGWUYYJLBCAU-JOCHJYFZSA-N	610.279	5.916	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409151596	CIYZXPLBKRXTHT-VPUKRXIYSA-N	612.239	5.010	50	40	KKGB	
CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2OC)cc1	409165677	AVWWXTLXMSGEOO-VVEOGCPPSA-N	638.302	5.270	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1	409184882	IJZKTIRWDMWEDC-UZWMFBFFSA-N	573.740	5.950	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)cc2c1	409187439	QJUIXAZEZQKKHF-NUJZUDFISA-N	541.373	6.085	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl	409225445	PUXPSUMVGXAMMW-BCHBDCPOSA-N	512.176	6.292	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccc(OC)cc1	409225899	SKBNKOJIKPCOES-UHFFFAOYSA-N	551.599	5.638	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Br)cc1	409226316	UVZGHCHORXLWAW-DEDYPNTBSA-N	504.384	5.629	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)cc2Cl)c1	409250369	KMMBZHURUUMKNH-RODHXAHZSA-N	644.584	8.259	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)c1	409250517	MRCWAIQPJOHWEM-RGVLZGJSSA-N	508.405	6.482	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409259271	XWUWOADXESROSB-NDENLUEZSA-N	582.882	6.681	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409259625	BPIXJUFFKWOEBX-SXGWCWSVSA-N	585.798	5.582	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1	409262253	GCQRNIYQEKVIGW-VMCRYMNPSA-N	526.420	5.474	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2cc(C)ccc2C)c1	409264961	HGVQFMGADFIEMX-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)ccc1OCc1ccccc1	409321273	SKLIURZPJLRNLR-KYHGBAKBSA-N	706.942	6.072	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409362599	IONUTOKKNLLMOA-NDENLUEZSA-N	613.427	6.009	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409373115	LXBRIENKDQRRBC-IPPBACCNSA-N	613.262	6.625	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)[nH]c2c1	409389937	BAAHFRIYTYCQHS-PXNMLYILSA-N	712.123	7.186	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409393282	WTVXESHOHXIWLO-APTWKGOFSA-N	577.906	7.362	50	40	KKGB	
N#CC1=C(N)Oc2cc(OC(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)ccc2[C@@H]1c1ccc(F)cc1F	606422484	VFBJYCNPFKOFRX-NDEPHWFRSA-N	544.941	6.635	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(C(=O)OCC)cc2)c1-c1ccccc1	1529544705	LZUMQHMJJMIWBK-IZGQHFCRSA-N	741.870	6.873	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	1277386	CHTDZQSJRFCASQ-GDLZYMKVSA-N	550.709	6.916	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)sc(C)c1C	1785471	ZVRMEXSXAZWHCB-SHCJNDJLSA-N	562.475	6.018	50	40	KKGB	
O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C/c1c(O)ccc2ccccc12	1808793	SJOGJQDEBKMPPE-QCFMCPCVSA-N	509.609	7.375	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Br)s3)nc3sc4c(c3c2=O)CCCC4)cc1	1874740	VAMZVMINJFDRKQ-RPPGKUMJSA-N	573.563	5.701	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccco1	2200871	OEBIQPCIAXQMBA-DEOSSOPVSA-N	515.591	5.056	50	40	KKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	2553572	NDGAXGCCAVSGSO-MHWRWJLKSA-N	504.826	6.805	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(I)cccc3[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)cc1	6445786	WJCGBVFAUWQBNP-VZQSUIEHSA-N	607.857	7.146	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1cc(Cl)ccc1O)/N=N/c1cccc([N+](=O)[O-])c1	8665890	VQOSKOLJUKRWLW-FKMMPOEYSA-N	558.986	5.771	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cccc(C)c3)=C(C#N)[C@H]2c2ccco2)cc1	12250172	YJJDSDYHRAWZFC-MHZLTWQESA-N	512.635	5.857	50	40	KKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)N(c4ccc(C)c(C)c4)CN3C2)cc1C	12250565	FMRANBUMSGUEPH-MUUNZHRXSA-N	501.099	7.298	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12	30738561	ACDRDZDWSKVKSC-FHDGHUAGSA-N	520.629	6.619	50	40	KKGB	
CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(C(C)(C)C)c1O	33410100	DRWGYSNPYIMCDB-WJDWOHSUSA-N	502.396	6.137	50	40	KKGB	
CCN(CC)c1ccc([P@@](=Nc2ccc(OC)cc2)(c2ccc(Cl)c(Cl)c2)N2CCOCC2)c(O)c1	96022598	VUXDCUJREYISNN-PSXMRANNSA-N	548.451	6.285	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1	100119368	HJPQTWFTGSJJLT-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1OC	100304785	BCRCOTBCOLFPSO-ZXSNDDASSA-N	602.757	5.112	50	40	KKGB	
O=C(Nc1nc(-c2cccs2)c(C(=O)C(F)(F)F)s1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	100810550	IBXCZFYMVXNWFQ-UHFFFAOYSA-N	586.466	5.337	50	40	KKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	100878836	SUTMNRAIHQKYOS-LFIBNONCSA-N	514.821	7.500	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cc(OC)ccc2OC)=C(C#N)[C@H]1c1ccco1	101305303	XITLEULMMSPBKV-VWLOTQADSA-N	545.617	5.065	50	40	KKGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1O)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)n1	101380516	DRKPAYPYZFBFDP-XKJRVUDJSA-N	552.494	5.546	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccc(Cl)cc1Cl	101430252	IYVFQFOELFZAQH-MBTHVWNTSA-N	575.319	6.636	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)NC2CCCCC2)N1	101559348	WBEBTZKRNDVYRO-MHZLTWQESA-N	536.097	5.961	50	40	KKGB	
C/C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)=N/NC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C	103762962	YBLFDPKPNCWRAT-VLYSXMBPSA-N	524.507	5.953	50	40	KKGB	
O=C(S[C@H]1N[C@H](c2ccccc2)N[C@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104220924	JFMAROFQKXISQB-XKKJXBDVSA-N	545.668	6.098	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](Cl)CCl	150341008	RLDABADEUSXHPC-UWTATZPHSA-N	717.034	9.383	50	40	KKGB	
CCCCCCCCCCCCCC(=O)O[C@H](c1ccccc1)[C@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C(=O)OCC	150495086	RZDVVCUECIKDMX-MPQUPPDSSA-N	677.754	8.547	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2Cl)ccc1OCc1ccccc1	408537068	CBJVFXNYFZTLDN-WIMUOEIGSA-N	737.709	10.490	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)ccc1OCc1ccccc1	408540324	QAXDANJQXLNKRT-OHUYPAJKSA-N	634.483	6.687	50	40	KKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1C	408568031	HSSQADPAUNANGR-MZJWZYIUSA-N	500.089	6.064	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408569996	RJMVNZQWZXJNHA-KBVAKVRCSA-N	593.568	7.189	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OCc1ccc(Cl)c(Cl)c1	408608336	PDIIRZNPKYULPK-INIZCTEOSA-N	534.827	5.731	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1	408683044	MHOUNSYTTGAUGK-JNYDFHNISA-N	566.677	5.183	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408710658	CTYIBYHJIJQPOE-ORBVJSQLSA-N	759.991	7.317	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408728807	UOCIUQVAQATVKQ-GZZLJNBRSA-N	576.118	6.597	50	40	KKGB	
COc1ccc(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1OCc1ccccc1	408736858	JPBCLMGKFQIWGH-ACWBYSHRSA-N	549.671	5.697	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccccc1	408740985	GCUUKZDBTUVDLF-PXNMLYILSA-N	581.091	7.643	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2I)cc1	408746142	XNFPCLSEBVJDAE-BKUYFWCQSA-N	508.359	6.033	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408754768	RMWHWSHZXGZSIZ-SXGWCWSVSA-N	581.091	7.643	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1cccc2ccccc12	408757187	VLALNVFXGLYUHC-BKUYFWCQSA-N	503.385	7.280	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408766314	BSBKMCPISWDJLT-JLPGSUDCSA-N	501.399	7.639	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1	408777251	XHIUJXLDVBMGFF-CLCOLTQESA-N	510.037	7.464	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc2ccccc2c1	408790323	VPTJGCREAWRKBA-RDRPBHBLSA-N	666.515	8.157	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1ccc(Br)cc1	408794008	HBDYNTFZTKWRDC-VXLYETTFSA-N	651.726	7.539	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I	408797061	QUQIHJHBPYPNHN-CXUHLZMHSA-N	537.195	5.781	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(OC)cc1Cl	408822292	LLFDCYDDPQNPIE-CAOOACKPSA-N	558.374	6.052	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4OC(=O)c4ccco4)cc3)sc2c1	408838900	JWHTWOLRLKIBTR-WCMJOSRZSA-N	558.015	6.692	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccccc1C#N	408840711	FDJILCKQQKVWTG-PTEHHBOZSA-N	658.500	7.210	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1cccc(C)c1	408841920	IPZJBQJRPVPYFO-PUHLOBNQSA-N	647.517	7.647	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(C(=O)O)cc5)cc4)cc3)cs2)cc1	408842926	KMSSFVPYGXNYJG-DPNNOFEESA-N	562.651	6.903	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408849397	WLUICJHBORXTTR-ACXHZZMFSA-N	625.317	6.293	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2c(c1)OCO2	408853283	MZSAXMDXEYTSJR-ZDLGFXPLSA-N	511.361	6.245	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)cc2)cc1	408855268	BHBFXQOLZGRCNT-XBQJKBNESA-N	531.700	6.793	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(=O)(=O)c1ccccc1	408858810	PSYAMCIHFLDFTD-KVAAJVFYSA-N	707.430	6.698	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408861495	BJWAAWIQLLGICF-ALQBTCKLSA-N	639.105	5.241	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408861772	AIVKVKUXMMIANT-VWJSQJICSA-N	620.993	6.181	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c2cccc(C(F)(F)F)c2)cc1	408863172	KTLAFMUKDVEDHQ-DPNNOFEESA-N	568.621	5.767	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(C)(=O)=O)c1	408869125	RNKYLUMZOOFLDC-VVEOGCPPSA-N	675.385	5.277	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408877654	XFXVWZYNUFTZAJ-XZYGTATASA-N	640.589	6.934	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Br)cc1	408880856	HSHPDZCIOJSDBC-RQZCQDPDSA-N	610.224	7.364	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1	408881282	MMXBIAILIKQZKA-YPXUMCKCSA-N	502.612	7.297	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408884708	YZGFXVMAGHKXHK-WSDLNYQXSA-N	536.413	6.362	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cccc2ccccc12	408884819	YJDXFDVXVDLCJT-IPPBACCNSA-N	528.233	7.252	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(=O)c1ccccc1	408884866	YTZXKLDCIBGYBG-LZYBPNLTSA-N	605.228	6.828	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408888758	ADPABPBIUOJFOD-YBFXNURJSA-N	636.895	6.274	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OC(=O)c1ccccc1	408889028	AVFAEDXJKCSXAE-PXLXIMEGSA-N	541.401	6.766	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1I	408890369	RXPBZPDWHSVOOF-MHWRWJLKSA-N	594.190	5.993	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1	408897690	ZJULNRGOLYYOJX-GZTJUZNOSA-N	526.332	6.065	50	40	KKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c(C)c1	408906352	IOLRPSDYESKPDX-BIZUNTBRSA-N	545.477	6.971	50	40	KKGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	408914294	WEYOIIIEWAGUFE-ZZEVNCIZSA-N	551.474	6.112	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	408922614	PEZMDBCSXNCLEV-XICOUIIWSA-N	598.124	6.802	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2Br)cc1	408922702	GCDULTJAORDYGV-SFQUDFHCSA-N	619.291	5.483	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	408922945	HTOHDFARMAJZMF-SFQUDFHCSA-N	530.389	5.265	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408936147	FOSAJUTVFAESEK-NUJZUDFISA-N	601.372	5.357	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc(C)c2)c(Br)c1	408942628	GJPSVCPGTSBVFT-MUUNZHRXSA-N	730.479	5.984	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c(OC)c1	408949583	FSLBJLLTKQILSB-PDQWDMBESA-N	858.855	5.857	50	40	KKGB	
CCc1cc(C)cc(OCCn2cc(/C=C(\C#N)c3nnc(NC(=O)c4ccccc4)s3)c3ccccc32)c1	408973797	VFVSOVOUZJHXAI-HKOYGPOVSA-N	533.657	6.759	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1Cl	408984395	QKHNHKLXLBMKKR-NHDPSOOVSA-N	521.831	8.233	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408985685	XQGLRTYZUOLCHO-IUXPMGMMSA-N	580.693	7.851	50	40	KKGB	
O=C(CSc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1	408990292	KHWKQFJXFMKEEX-BGDJIUFDSA-N	651.705	5.190	50	40	KKGB	
CCOC(=O)COc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)cc1OC	409040341	TWNHWNPRTRHRIO-OKCVXOCRSA-N	609.420	5.221	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1cccc(Cl)c1	409042151	BODXGOJVCAJYGP-QNVXDBMFSA-N	729.427	8.817	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccc(OCc5ccccc5F)c4)cc3)cs2)cc1	409046591	RQTYUGXGLVCABS-DPNNOFEESA-N	536.632	7.344	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl	409053441	CQXCUCNJADKKRS-CXUHLZMHSA-N	581.091	7.643	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409083105	NMSXAXNDEXDEGL-VGOFMYFVSA-N	529.292	6.156	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(I)cc2)c(Br)c1	409134060	VNHMESZKVRHWKN-NRFANRHFSA-N	577.216	5.447	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409138939	KEQZLCADHXERJF-IZYHBKOJSA-N	718.612	5.961	50	40	KKGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-]	409163233	NWYNWPWIERFXAT-QKEDOHSHSA-N	589.476	6.310	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409173750	REWQIJGECGIOFP-IBBHUPRXSA-N	631.911	5.315	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409214978	VQTWTAAOMKRJPJ-NDENLUEZSA-N	536.382	6.146	50	40	KKGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccccc2Cl)c1	409219905	RNEDKYDZSSKQAQ-UHFFFAOYSA-N	566.828	6.882	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)/C=C/c1ccccc1	409226276	ULASDURELSWXCF-CZNUTNQVSA-N	523.545	5.313	50	40	KKGB	
N#C/C(=C/c1cccn1-c1ccc(I)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409246913	KXWDVXHZHIEULF-KAMYIIQDSA-N	507.253	5.646	50	40	KKGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1	409252766	DOQCNGFZOSACMH-MWPRVRPJSA-N	512.393	5.084	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)ccc1OCc1ccccc1	409254118	CUIYTHJWKFVONP-CLHYIUPASA-N	630.141	7.115	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	409255257	ZOWBSUPHCMNWAY-FUSDPXDGSA-N	526.818	5.185	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409257412	OLLAATHQCRFBMP-JMIUGGIZSA-N	538.431	6.490	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)ccc1OCc1ccccc1	409317492	ULYJMHWHTAZWKR-QMRORBIVSA-N	613.976	7.801	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccccc1	409321773	JGHGWCIPODSUEA-OHUYPAJKSA-N	549.454	7.314	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1OCC	409325640	ZCDRJSOAXLQZJL-MWLSYYOVSA-N	543.845	6.409	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1OCC	409335974	QPTWLFDTDIUTFA-MUXKCCDJSA-N	666.279	6.772	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409375424	KMEYXINOHNEFAE-FYJGNVAPSA-N	564.436	5.097	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3F)c(OCC)c2)cc1	409376916	BUYYKNCUDNFVTI-CPNJWEJPSA-N	537.975	5.840	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Br	409378380	OQHWVOXAYXPTQG-MOSHPQCFSA-N	534.410	5.638	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccccc1Cl	409385561	LIHGFWCYQCGAES-XODNFHPESA-N	544.416	6.858	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387361	VXIHVEXOCUXVGR-KBKYJPHKSA-N	634.262	6.586	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409394407	ABMPHRXKTZLUEY-UHFFFAOYSA-N	767.632	9.145	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)cc1OCC	409395438	NNYSHSXTKCNADA-UHFFFAOYSA-N	711.012	9.185	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)[nH]c12	409396636	ZOTFFOGPFNWXOP-UHFFFAOYSA-N	711.197	8.521	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409397327	ISMUEGDGRJHPJJ-UHFFFAOYSA-N	585.582	7.544	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409399293	ZCCWADVTBPDFLJ-UHFFFAOYSA-N	629.454	6.740	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409399294	ZCDGXHVGPOFSIW-UHFFFAOYSA-N	593.592	5.573	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3ccccc3Cl)o2)cc1	409402233	JGZLSAYYIGUGAI-AEUUOICLSA-N	588.491	7.916	50	40	KKGB	
C[C@H](/N=C/c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O)c1ccccc1P(c1ccccc1)c1ccccc1	675082979	SOPVXXDQRYTLSN-IJJPVQGWSA-N	601.686	9.010	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12	1529545671	AJJOWVCEUVAHQJ-ACKQVUGPSA-N	687.616	6.066	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1	1529546192	DMEXJXAGFAQYNE-XINRNAFCSA-N	797.897	6.171	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1Cl	1026616	ZJHQADTUABUDEX-NDEPHWFRSA-N	559.091	6.364	50	40	KKGB	
CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)sc2c1CCCC2	2206271	RXNGESMYTCFYOO-CJLVFECKSA-N	523.658	6.741	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(Br)s1	2233153	JHYNNEZPKQOUMZ-BHGWPJFGSA-N	533.860	5.106	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@@H]2c1ccc(Br)s1	3117987	KHVHWVWYRALQAQ-LJQANCHMSA-N	522.390	6.470	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1ccc(Br)cc1	3255678	BITVPDKOAQLPFW-MHWRWJLKSA-N	522.752	7.075	50	40	KKGB	
CC(C)CC[C@H](Cl)COC(=O)c1ccc(CCc2ccc(C(=O)OC[C@@H](Cl)CCC(C)C)cc2)cc1	8453736	FRQHIHQGHLTZNX-NSOVKSMOSA-N	535.552	7.873	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccc(C(C)(C)C)cc3)nc12	97946735	PHZNJKQTGHIAMO-FCDQGJHFSA-N	588.668	5.436	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@@H]1c1ccccc1	97950450	LVUFHGMTWLPEHY-LJAQVGFWSA-N	538.673	6.019	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc(C(=O)OCCOC)c1C	97952980	GMEKINSHOGCGAE-VBKFSLOCSA-N	542.595	5.045	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc(Br)c1O	97959508	LQGCKKMXVVZKNE-GZIVZEMBSA-N	559.920	5.203	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C(=O)O)cc1	97960743	BEOKPPRQZHRXPC-UUYOSTAYSA-N	574.431	5.482	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C\c1c(O)ccc2ccccc12	97972289	YVPMYQCFIVQZSM-FDVSRXAVSA-N	542.444	5.193	50	40	KKGB	
Fc1ccc(-c2nn(-c3ccccc3)cc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	97984670	NHYLEXYSYBQXLC-UHFFFAOYSA-N	513.576	7.173	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)c1	98001362	GERWWBIVCONDAL-VYVUJPJFSA-N	782.903	7.556	50	40	KKGB	
COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2nnc(SCc3ccc(Cl)cc3)s2)C2=C1C(=O)CCC2	98006237	XCTONXYGHSOWFE-JOCHJYFZSA-N	536.082	5.797	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(n1cccc1)=C(C#N)[C@H]2c1ccc2c(c1)OCO2	98007421	JQNBCUMOQBEVRF-AREMUKBSSA-N	531.534	6.875	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(N)=C(C#N)[C@@H]2c1cc(Cn2cnc3ccccc32)cs1	98008002	ABLNOSIZSPBBJK-HHHXNRCGSA-N	540.092	6.740	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100240184	OBXFNWRMWDIEHT-BIZUNTBRSA-N	562.667	5.286	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(C)cc2)cc1OC	100304131	VLCQSUGPNSAPHQ-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
N#C/C(C(=O)Nc1ncc(Cc2ccccc2Cl)s1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1	100991380	FULJGPUDWKUEIO-IDJUBOEBSA-N	557.100	6.452	50	40	KKGB	
C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	102454226	MGRAAYPCKABNEB-ASZHRQKBSA-N	607.132	7.556	50	40	KKGB	
CCOc1cc(/C=N\c2cc(Br)c(O)c(Br)c2)ccc1N(CCCl)CCCl	104094705	YLCOIIFPKFBMCX-MSXFZWOLSA-N	539.095	6.351	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(Cl)cc1Cl	104401971	OWZNCXJLUIZELT-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	112264855	FGYDAPHEDYLHKN-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
COC(=O)c1nn(-c2ccc(OC)cc2)/c(=N/c2ccccc2SSc2ccccc2/N=c2\sc(C(=O)OC)nn2-c2ccc(OC)cc2)s1	150382429	IZJOAYDYELCYBN-SGRXOXICSA-N	744.902	7.036	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)ccc1OCc1ccccc1	408538680	BOWASGKFTSMGRY-KYHGBAKBSA-N	576.005	6.187	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(C(=O)OCC)c1C	408546738	OJKDMWOIVYIOAK-DEDYPNTBSA-N	522.598	5.675	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552195	HYQXKYDPHSJTOT-WKIKZPBSSA-N	535.225	5.466	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCc1ccc(F)cc1	408552807	VOSPNQMCSZPQOH-VCHYOVAHSA-N	566.452	6.533	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408642787	NVRKIZKQJYMCKR-XKRYSZRTSA-N	663.165	5.639	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408649665	YVCVZUZVLDRURA-WOZUAGRISA-N	708.812	5.783	50	40	KKGB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408683501	LLQKUXYSVKDPPP-FZDBZEDMSA-N	662.118	5.064	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)cc1	408745003	OQNZDDNAQAUKIW-BKUYFWCQSA-N	521.411	6.290	50	40	KKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408752268	HFYGRAZIZAQIIM-XKZIYDEJSA-N	604.298	7.692	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1	408758934	VBGVCYDHENZIQF-GJDHUYHKSA-N	605.544	5.163	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Br)c1	408763915	QBSTYGBAQZBDJI-YVLHZVERSA-N	593.646	6.832	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1cccc2ccccc12	408765680	ZKWZGYYRHNTLHN-IWIPYMOSSA-N	602.326	8.218	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2cccc(C(F)(F)F)c2)cc1	408772968	OIFJKWNKXTYNJC-KBVAKVRCSA-N	525.552	5.513	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408787752	FTAYDYZUNBEKEU-RQZCQDPDSA-N	523.299	5.390	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789698	RGAVAUUETHEBBR-XIEYBQDHSA-N	501.561	6.953	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(I)cc2)cc1	408793883	GMBGCIDNAOJPFV-XDHOZWIPSA-N	617.237	5.965	50	40	KKGB	
COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408793900	HEPBLOWQNMGZQL-NYYWCZLTSA-N	610.029	5.458	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)cc1	408794036	HONMKLHAOAWUJB-CIAFOILYSA-N	648.282	6.891	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408796388	NYCQQLSAHWNIHR-RGVLZGJSSA-N	535.940	5.558	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408797057	QUGVJDZYNITHOC-REZTVBANSA-N	652.670	7.048	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1	408804782	BIVVXXMWRPAZSD-LTGZKZEYSA-N	517.412	7.670	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c1Cl	408814740	GKFXBFKEITURQD-JQAMDZJQSA-N	620.081	6.501	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)c2cccc(Cl)c2)cc1	408822550	NSSRSHGQQTUMIG-FDAWAROLSA-N	536.028	5.947	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)c(OC)cc1Cl	408823549	GAMVWCCAEPDFHI-CAOOACKPSA-N	622.818	6.234	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408824913	BHMNDEYYIIQRHA-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Br)c1OCc1ccccc1	408828912	MNEWRZVIAZGXBN-PCLIKHOPSA-N	662.378	8.314	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1OCC	408830983	PCVUCQLLDNTJLB-STBIYBPSSA-N	564.491	5.527	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408833410	JZQBOGHIXVXTIB-KOEQRZSOSA-N	613.928	9.504	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(C)cc1	408838398	FFLUBBUAWDGRJD-XJECJHNESA-N	709.009	8.472	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)cc1	408844017	ATZHPJYRQQLQAM-ZXSNDDASSA-N	520.032	7.449	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845173	PFUJQWOZACBDBR-AABVJFSESA-N	682.946	8.294	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc2c(c1)OCO2	408850100	FZFKNHUFFFZWJG-JAIQZWGSSA-N	537.399	6.584	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(C)cc1	408850156	HAVZJWPOXPCIEN-MWLSYYOVSA-N	503.396	6.575	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc(F)c2)c(I)c1)c1cc2cc(Br)ccc2o1	408854520	HHTQIGDJMRHVJB-PPDIBHTLSA-N	593.190	6.282	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(Br)cc2)cc1	408857362	GDLXMRGKLUECJV-FJEPWZHXSA-N	621.340	6.670	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1	408865422	CIOIPBJODOABNK-XZKBKLFHSA-N	619.143	5.250	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(C)c(Cl)c2)cc1	408870617	WSHFSLKKWAYMID-DPNNOFEESA-N	596.536	6.535	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408877190	QOMIEXUSAIHJET-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC(=O)c1cccc2ccccc12	408882167	NSFFEYPXYRAUFI-CPNJWEJPSA-N	527.920	6.175	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	408885288	YYMNKTCAZONDLG-MWBNBJEGSA-N	628.604	5.208	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)O)cc1	408888718	ZOXZGTCXNMBMSX-WOJGMQOQSA-N	511.759	5.925	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC(=O)c1cccc2ccccc12	408889992	MFUQERDZPOKYQQ-AMVVHIIESA-N	572.242	6.901	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cn(Cc2cccc3ccccc23)c2ccccc12	408940615	CQHVPTHPLAOWJX-UMSFTDKQSA-N	631.758	5.728	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408948789	GUXUACMXORGOAG-OCKHKDLRSA-N	603.731	7.735	50	40	KKGB	
N#Cc1ccccc1COc1c(I)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1I	408963074	MGBCKBALRMBVJQ-KVSWJAHQSA-N	692.207	5.765	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2Br)cc1	408965721	XJCLAOKDRBSXBF-XKJRVUDJSA-N	570.203	6.882	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccc(Cl)cc1Cl	408967090	PDSPQZZTFNWMEK-VPUKRXIYSA-N	598.199	5.960	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)c(OCc2ccc(F)cc2)c1	408981475	HTVKAGSWRPGCKU-XQNSMLJCSA-N	506.585	5.955	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	408985715	YAAOYRAKHFXRAV-PXNMLYILSA-N	521.795	5.297	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1	409001341	HVTZYHVOYVSRPF-KPGMTVGESA-N	655.730	7.100	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409016990	CRUSTFKFESJMPU-QDTIIGTASA-N	619.799	6.341	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1cccc(F)c1	409018500	MKRMPSWWUCWISG-NVJOKUIPSA-N	531.765	6.339	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)c1cc2cc(Cl)ccc2o1	409019331	RAKNYJKVKOGSGZ-PPDIBHTLSA-N	548.739	6.173	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1Br	409021300	AJZIIFUSDTVQMN-AQLQTECXSA-N	594.263	5.740	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1ccccc1	409028684	QEAGITUCJPJUIL-QNKGDIEWSA-N	603.697	5.027	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccc2c(c1)OCO2	409032799	DLUOMKMYIKUZHP-DLCNMLRHSA-N	566.013	6.635	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409058695	SNXWADSFVHEHDQ-GZTJUZNOSA-N	587.801	5.516	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409101475	UFUCFMDMYOKINY-DEOSSOPVSA-N	590.257	6.680	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1)S(C)(=O)=O	409135666	QEBSBJWSWIFIBW-NDZAJKAJSA-N	514.651	5.133	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)Cc2ccccc2)c(C)c1	409149735	OZZBGUYKSGRANI-UXHLAJHPSA-N	505.684	5.251	50	40	KKGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1	409167506	IVEXDMBRTLVTKQ-HIWRWHBISA-N	575.880	5.554	50	40	KKGB	
Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl	409176044	XKYXSVHPVKCEIJ-XKJRVUDJSA-N	592.277	5.479	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccccc4F)c(OCC)c3)cc2c1	409187873	VIOJPYHVXNNJMK-MNDYBZJGSA-N	602.400	6.317	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)NC1CCCC1	409191121	SRJGGEHCAOHZJS-NVMNQCDNSA-N	529.232	5.628	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(C)cc1	409205011	FGDQIRZWIGAHEM-ODLFYWEKSA-N	521.358	6.128	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)c1	409217188	AIKFRCHHWCIFOV-LDADJPATSA-N	524.802	5.974	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409226355	VGWPBRUSHRCLGS-BJUCDSOZSA-N	596.854	6.891	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccc(F)cc1	409228494	ZEPOHOHRHZZPEY-CTPANLQCSA-N	556.375	5.802	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1	409262177	FVAVXZRSVJJICU-PPDIBHTLSA-N	624.127	6.064	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1	409264308	ORQKNBNMFWHUJD-ZMFRSBBQSA-N	500.780	5.192	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cccc2ccccc12	409304859	SIXVVAFICPCQPV-BKUYFWCQSA-N	613.236	7.692	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1OC	409315434	VGZASJJZRJXAMG-RHANQZHGSA-N	539.426	5.764	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)NC(=O)C[C@@H]1c1cccc(Br)c1	409316567	ZMKWUEFSGLDYFT-CQSZACIVSA-N	589.231	5.941	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccccc1	409363131	LBMNOZYWAOQWID-ZDLGFXPLSA-N	597.621	7.192	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(I)c1OCc1ccccc1	409368549	BMBUDHXSZPTMAQ-NDENLUEZSA-N	607.229	6.938	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1	409380902	BSSLKAJBHXYENV-UYRXBGFRSA-N	520.383	5.329	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(=O)Nc1ccccc1OC	409382260	MIDFZYUVPVGJHR-MUXKCCDJSA-N	605.283	5.400	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)cc1OCC	409394508	BGOSMXDPXUGMSS-UHFFFAOYSA-N	656.533	7.387	50	40	KKGB	
CCc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409394673	DLHCSYUIKGUQSS-UHFFFAOYSA-N	747.793	9.578	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395264	LTKMBZLVVUSYLQ-UHFFFAOYSA-N	690.903	9.406	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C#N)cccc2c1-c1ccccc1	409395679	QODZRAYSVKZSDS-UHFFFAOYSA-N	627.882	7.114	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccccc1	409396128	WPNMXNCNEBLUNK-UHFFFAOYSA-N	698.742	7.839	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3Cl)c2c1	409397683	MSENOJXWEGXMFI-UHFFFAOYSA-N	566.013	6.817	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409397750	NPCNZQUGOJAXFI-UHFFFAOYSA-N	579.012	6.360	50	40	KKGB	
CCOC(=O)[C@@H](C)Oc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409403510	NGZVXBFVGWOKST-QUFIRZMCSA-N	618.643	5.667	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1	1529548574	JGRIHCWUCOOLKC-AYSITGFNSA-N	750.897	6.329	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1	1767485	LBHLAVZFBKAOAM-CXUHLZMHSA-N	525.373	6.755	50	40	KKGB	
Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)c1	2194115	TWXNGZCVJCHIPT-YMGIJWJESA-N	518.436	5.823	50	40	KKGB	
C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc(N(CC)CC)cc2O)nnc1-c1ccc(Br)cc1	2695869	PXDDABIAXVWLNH-MZJWZYIUSA-N	557.518	5.078	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cc(Br)cc(Br)c1O	3090718	KLTURDILWVRMCD-WYMPLXKRSA-N	504.178	5.260	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C\c2coc3ccc(Cl)cc3c2=O)c(-c2ccnn2-c2ccccc2)c1	8411612	XPCVADILUAFXTH-MNDYBZJGSA-N	512.953	5.137	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@H](c3ccc(Br)cc3)Nc3c(Cl)cc(Cl)cc3[C@@H]2[C@@H]1Cl	8425366	CQXFVUIYAGMTLY-XVAAYUMESA-N	584.750	8.703	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1	8426019	WVBNIYCJDWKLHU-MHWRWJLKSA-N	537.801	6.069	50	40	KKGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1cc(C(=O)NN=C2C3CC4CC(C3)CC2C4)c2ccccc2n1	9144875	VDWQCFDWPAMPQZ-UHFFFAOYSA-N	509.654	5.319	50	40	KKGB	
N#C/C(=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	15224822	ZHJVZDRUBCPNKT-UQQQWYQISA-N	515.569	5.864	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1	16157812	DZGMYWNURISDBJ-NLRVBDNBSA-N	520.585	6.540	50	40	KKGB	
CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C1\C(=O)N(Cc3cccc4ccccc34)c3ccccc31)CO2	18322831	KTYKDMJNNSFRCX-JJIJUNSBSA-N	519.601	5.344	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	44965601	RSVLUYAWQBRDLX-FJEPWZHXSA-N	501.454	7.496	50	40	KKGB	
CC(C)CCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccccc3Cl)c3ccccc32)cc1	46085033	IHFNFEASWOWHIQ-QVTSOHHYSA-N	506.002	5.211	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59856347	SBKKKQCFUYPCEE-GZZLJNBRSA-N	576.118	6.597	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(O)(c1ccccc1)c1ccccc1	96585859	WEQJZNCKYXNZFH-MNBJERMJSA-N	505.401	5.959	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccccc3[N+](=O)[O-])n2-c2ccc(Cl)cc2)cc1	97939473	AIABFNNZLIKKNE-KRAOFYOPSA-N	549.012	5.412	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3/C[C@@H](C)CC(C)(C)C3)cc2)c(Br)c1	97980801	LRKBRAIBXIMEBL-GYRQNLHBSA-N	536.308	7.031	50	40	KKGB	
Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2	97983946	NXUMXIWYVRKXMF-USJHGTRJSA-N	598.647	7.928	50	40	KKGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	100284540	HTVGMMLNZXQOAC-HNSNBQBZSA-N	606.100	5.360	50	40	KKGB	
O=C1C(=O)N(c2ccc3ccccc3c2)P(=O)(N(CCCl)CCCl)N1c1ccc2ccccc2c1	100372714	UEXUNLHENUHYBL-UHFFFAOYSA-N	526.360	6.261	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)nnc2-c2ccc(C)cc2)cc1	100858365	OXLGXKPRISXCRL-UCMJSZAQSA-N	563.683	6.073	50	40	KKGB	
Cc1cc(N(CCBr)CCBr)ccc1/N=C/c1ccc2c3ccccc3ccc2[n+]1-c1ccccc1	101053890	NHPDGKMLRNFQRD-UHFFFAOYSA-N	602.394	7.925	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1	101514898	VGGSBNWSXIYJKE-OGLMXYFKSA-N	551.028	5.527	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccc(C)cc3)n2-c2ccccc2)c(OC)c1	103254263	PJALDTLYUXNAJS-NIKULWCKSA-N	544.681	5.226	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528706	JKOZYASQOQCHRV-NRFANRHFSA-N	590.490	11.055	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1	103866824	JKAPWZQEWRAFAK-XHPQRKPJSA-N	562.739	7.703	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12	112255479	AEKKGHMYEUUSNV-LNUQQZDSSA-N	575.668	6.125	50	40	KKGB	
Cc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc(C)c2)c1	150343726	ALPXWMYJQYWPOH-IFQUFVRCSA-N	796.472	7.795	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	162472303	IEWLALMZSCTXST-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408527693	GFGRPDFCVFJACN-VPUKRXIYSA-N	600.138	6.968	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408544976	WMERUVFHBKZBJR-KYHGBAKBSA-N	570.473	5.736	50	40	KKGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1)Nc1ccc(Cl)c(Cl)c1	408551419	KSCFVOHZLAWYRP-DLCNMLRHSA-N	616.530	7.642	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551801	MPJMSCCDNKOUBM-DBFSUHOCSA-N	534.827	6.135	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCc1ccc(Br)cc1	408569530	OLWIIAQMQFHAOA-FJEPWZHXSA-N	666.457	7.197	50	40	KKGB	
O=C(NNc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408612162	XTSKFBHBWOUERK-MRXNPFEDSA-N	549.252	5.831	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@H](C(=O)O[C@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1	408637999	PIYDTGLURPBZJN-NLGDKJDOSA-N	630.568	8.235	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408639221	FDSSKOYLFPPXDE-LWSSLDFYSA-N	719.770	6.203	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cccc(I)c3)c2C)ccc1I	408747247	LBCKULRZVPBODU-WYMPLXKRSA-N	599.210	5.076	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408792354	ATOQKPSVHVVTMN-GIJQJNRQSA-N	656.145	8.048	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1C	408794156	HSAWIHHPPWUFSB-BUVRLJJBSA-N	511.419	7.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(Br)cc1	408795967	NUCULTHWIXHWCT-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1cccc(F)c1	408797247	QOPGKIQYRKZBKQ-YBFXNURJSA-N	542.348	5.954	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccccc1F	408815933	TUSKJBAGRQFPQL-CHHVJCJISA-N	554.630	7.673	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408823535	DWLBQZXPNLDLBN-MFKUBSTISA-N	617.927	8.123	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccc(C)cc1	408825360	CPSCZMSAPXVHCR-UZWMFBFFSA-N	602.669	5.227	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408832652	IEYVBDVBJWIJKU-STBIYBPSSA-N	522.026	5.396	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(C)cc3)cc2)cc1	408838161	CMXIGNSVCGOFDQ-KCSSXMTESA-N	570.443	6.301	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408838911	JZYQFKIZNZPEMD-MHDJOFBISA-N	633.469	7.352	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccccc5C#N)c(Br)c4)cc3)cs2)cc1	408838934	KLQOFUIDUMNORB-KULFSUQXSA-N	701.444	8.602	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408843102	RHXKZLJFSCXVLF-IPPBACCNSA-N	556.031	5.735	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cccc(Cl)c2C)cc1	408862952	NVNXYQXNKIBXNG-DPNNOFEESA-N	577.150	6.327	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(C)c(C)c1	408866931	HNOGQCSJSCKFEY-KEBDBYFISA-N	559.382	7.218	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408869339	RBZOGQHUSPCAIO-FDAWAROLSA-N	612.933	6.027	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCc1ccc(Br)cc1	408877897	VFEGMVSSADZXHN-SRZZPIQSSA-N	630.333	6.430	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1	408887395	NUQBITZYUSZWOG-KGENOOAVSA-N	569.035	5.537	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)c1cccc(Cl)c1	408887987	VZEPQJBGNXYLSX-RWPZCVJISA-N	507.771	6.239	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1OCc1ccc(Cl)cc1Cl	408888217	TZHQWHQTZOJEQO-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OCC)c1OCc1ccccc1Cl	408904298	HQACCZDJHNWRTP-UHBFCERESA-N	556.888	7.273	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408918887	QFPXBZIVQLCNNC-OGNIXTLVSA-N	530.419	5.611	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)c2)cc1	408922875	HGFDEROXALVIGT-FOWTUZBSSA-N	503.363	5.315	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(OCC)c2)c(OC)c1	408923680	JZOOHGCVIICKPJ-RQQSEGDXSA-N	720.577	5.027	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1	408946361	MKEIDEHJCVQJEQ-YTTGMZPUSA-N	687.616	6.066	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(Cl)cc1Cl	408947605	CQFNVGAIVRDZKZ-JMIUGGIZSA-N	646.312	6.933	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2n1Cc1ccc(Br)cc1	408950368	JLOAJSQDINYGPI-KQWNVCNZSA-N	537.461	6.508	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408956202	PWSGUWFWUNUNEL-HMJHGKHZSA-N	563.392	5.063	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OC)c1OCc1ccc(Cl)cc1Cl	408963704	AJTIJNYILSSOOK-XAZZYMPDSA-N	512.368	6.084	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1cccc(C)c1	408984036	PKJMYHJUVUFQDN-NHDPSOOVSA-N	586.857	7.085	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408988923	SDOCCDPJKCIPGJ-NVMNQCDNSA-N	594.720	8.241	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409006671	QRNXJWHAWHALRB-UVHMKAGCSA-N	556.924	5.710	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409010210	BFYLCLXGGFYVQH-BHJRNEMNSA-N	757.542	9.043	50	40	KKGB	
CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409011467	FNDRKIRAIGUMIR-HNNDCAHOSA-N	599.946	6.710	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccc(I)cc1	409016996	CTRHYBNVXAHNIH-NVJOKUIPSA-N	595.220	6.696	50	40	KKGB	
N#CCOc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409041207	ZUKGZOCRZZOUIY-FDVSRXAVSA-N	564.237	6.093	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1	409083249	VEAJOKJDHGRYMY-VGOFMYFVSA-N	613.140	7.903	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C2=C1CC(C)(C)CC2=O	409138443	BUUVXANALHMTTG-VWLOTQADSA-N	526.464	5.955	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409152535	BKSKGJBOZULLLU-FJEPWZHXSA-N	557.434	5.061	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccccc3)c2)c1	409219137	NPKLYCDSUSKITP-QVYHRYPYSA-N	661.350	7.155	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409219555	NTUCHNFZOGZLEP-UHFFFAOYSA-N	700.181	7.210	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)c2)cc1	409222390	CAVRINAXVMTOHX-UHFFFAOYSA-N	537.572	5.248	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(I)cc(I)c1OCc1ccccc1C#N)c1ccccc1	409238322	MVENQURJCCBEMP-FIJRTHIRSA-N	659.265	6.131	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br	409250424	LLXDIPUXWKRIJT-PPDIBHTLSA-N	624.127	6.064	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1	409256187	KGIVZRBFYIHNHU-MFOYZWKCSA-N	603.698	6.737	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409258104	RJBUCDDOTHIKDG-XKZIYDEJSA-N	518.013	6.227	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2)cc1	409267260	UHMGFEOLNOYRQS-XDHOZWIPSA-N	613.306	6.482	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409319313	DIGJRSQFJCLSKC-VQTJNVASSA-N	568.866	5.155	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)ccc1OCc1ccccc1	409322822	YBHAQNCLYVWBOM-FZPRHHONSA-N	640.449	6.369	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(I)c1OCc1ccc(Cl)cc1Cl	409364736	PAGLRCSHPVJRCD-DBFSUHOCSA-N	627.262	5.650	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(I)cc1	409370663	ACEZVKPCAGILDK-HMAPJEAMSA-N	566.236	7.850	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2c1	409395200	KXALBAGKBCWEOS-UHFFFAOYSA-N	571.464	7.191	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(OC)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396103	AEZRKHTWQHDPNU-UHFFFAOYSA-N	621.646	6.159	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409397894	PFUCKARYICQEDO-UHFFFAOYSA-N	538.947	5.945	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)[nH]c12	409398473	TZCADYDTBMTBBJ-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(OC)cccc2c1-c1ccccc1	409399050	XPCBFAHXRZJMNL-UHFFFAOYSA-N	554.002	6.489	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1	1529547881	QTLWSNFPXVBCQA-GQQDTJLESA-N	835.462	5.231	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(CC)cc3)nnc2-c2ccc(Cl)cc2)cc1	1818252	JZEWGEWMYLCNNF-STBIYBPSSA-N	520.058	5.791	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12	1876441	RPOMTZPWLJHASR-WKULSOCRSA-N	514.994	5.140	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cc3ccccc3cc2O)cc1	3080422	CKAVFALPIHQBNZ-UXHLAJHPSA-N	510.571	5.539	50	40	KKGB	
CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1	3215794	AAFYUPFDYAIFHD-AJBULDERSA-N	547.080	5.931	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc3ccc4ccc(/C=N/NC(=O)COc5ccc(C)cc5Br)nc4c3n2)c(Br)c1	4017883	NTXVBEIYIXUCDT-KTGRAOHMSA-N	718.406	5.983	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Br)cc1)N2	6445764	KYBQEDLMFBSDRF-JCTDHXFVSA-N	594.940	6.043	50	40	KKGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc2ccccc2c1Br	8398788	SJWMMQOMZXJTFX-UHFFFAOYSA-N	526.214	5.295	50	40	KKGB	
COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c2)C(C#N)=C(N)O3)c1	8410857	VRBQLUKAJPTRTN-RUZDIDTESA-N	579.440	6.206	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	13080674	TZTNKIHFEACSIB-SANMLTNESA-N	514.676	6.072	50	40	KKGB	
C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(Cl)(Cl)[C@H]5C[C@H](Cl)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O	70688056	SJFDHZXYUNDKRM-XSGMPQFPSA-N	502.998	6.738	50	40	KKGB	biogenic
CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)nc(O)c2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C(=O)OCC)c1C	97984713	KNXIIAFIZQXDHF-UHFFFAOYSA-O	797.315	7.576	50	40	KKGB	
O=C(COc1ccc(I)cc1)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	98001232	QGXGWLMQMAAJQB-LQKURTRISA-N	536.369	5.553	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)c1	98001712	JJKUXFZXMDVYKS-XKJRVUDJSA-N	607.686	5.273	50	40	KKGB	
CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4Cl)cc3)CC(=O)N2C1	98048447	XKUQXNSNDIIKNI-HSZRJFAPSA-N	532.065	6.537	50	40	KKGB	
CC(/C=N/NC(=O)COc1ccc(C)c(C)c1)=C\c1ccc(/C=C(C)/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1	100029708	WPAOFQKWYJAEOY-MYODXNHMSA-N	566.702	6.089	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c2ccccc2)cc1	100350204	FTULPMODYIVRMC-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)cc1Cl	100864005	QFELVKJKWZCKDO-GJRHSESZSA-N	524.045	6.867	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc(Br)c1OCc1ccc(Cl)cc1	100935297	PYEKHTROPISGBX-IURWMYGYSA-N	601.885	5.331	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)cc1	101273264	JGLWXFLTFCJDPC-SANMLTNESA-N	558.685	5.519	50	40	KKGB	
COc1ccc([C@H](c2ccc(Cl)cc2)N(C)NC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC	101463530	HRFZUELWPGZHGT-NDEPHWFRSA-N	585.915	6.653	50	40	KKGB	
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)[C@@H](C)Oc1cc(Cl)ccc1Cl	102378029	LWGQVOYJSVNGMT-CYBMUJFWSA-N	538.478	5.684	50	40	KKGB	
CC1(C)[C@]2(C(=O)N3CCc4ccccc4C3)CC[C@]1(C(Br)Br)[C@@H]2Br	102725586	DILNGCNUERXJDL-GDIGMMSISA-N	520.103	5.257	50	40	KKGB	
N#CC1=C(SCC(=O)c2ccccc2)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	103527062	JXMXTBYBCBUSNL-OTNCWRBYSA-N	563.022	6.190	50	40	KKGB	
N#C/C(=C1\N[C@@](c2ccccc2)(C(F)(F)F)[C@H](C(=O)c2ccc(Br)s2)S1)c1ccccn1	104692962	ASDUWEGXRQTMRO-PUEQEAFISA-N	536.398	6.143	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Br)cc1	105082570	BRXRNXKLWTVQPH-DEDYPNTBSA-N	540.255	6.899	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	150385659	OOJHTGYFASLYEN-WCMJOSRZSA-N	634.383	6.509	50	40	KKGB	
COc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OC[C@H](Br)CBr)c(Br)c2)cc1Br	150403047	BJADNTCOOKZKMD-MRVPVSSYSA-N	779.759	7.115	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)cc(Br)c1OCCOc1ccc(Br)cc1	150425781	HSYPSMZHUKSKBB-VTNSRFBWSA-N	717.440	6.173	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)[nH]c2cc1C	408542544	JNYSHAMLUPBHMF-ODLFYWEKSA-N	503.356	6.494	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)c3ccc4ccccc4c3)cc2Br)c1	408548663	KTEQQBUFYIFBMB-MSXFZWOLSA-N	533.263	8.316	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552116	OKITYVMXUDGBJY-ZDLGFXPLSA-N	650.300	6.868	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408570712	XTEBGUJGARCQFP-NVNXTCNLSA-N	586.336	5.536	50	40	KKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1	408581118	UUJVEDUWHDIEFT-VXLYETTFSA-N	501.193	7.302	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408582330	MYXNMISFGWFMLD-RGVLZGJSSA-N	555.856	6.900	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408599592	XALBISWFDQHUMD-AMVVHIIESA-N	519.856	7.296	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccco2)cc1	408660122	WHZGFNIKVOWCFC-XIZCMSMASA-N	704.755	5.170	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408688987	XJAIRMHULBEGGC-FZDBZEDMSA-N	623.556	6.126	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2ccc(I)cc2)c2ccccc12	408710832	NXFFANGHXWJLOX-CCVNUDIWSA-N	602.270	6.138	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1	408711703	GUENMGRWMUMGRE-MWLSYYOVSA-N	637.312	6.123	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccccc1-n1cccc1	408750115	XMMYHZNFTBQEIH-LQKURTRISA-N	553.254	6.345	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1	408754757	IEGLTSXSLDHYGP-IPPBACCNSA-N	568.333	5.590	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)c(C)c1	408787642	DAHUNPWNDCUZRB-RGVLZGJSSA-N	587.255	6.795	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408788204	JBBBIJCCDSJVIE-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408788511	KNUKRMVGDWXOCT-CXUHLZMHSA-N	658.636	6.813	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1C	408790158	UKXGRVKELJZDNM-VXLYETTFSA-N	632.252	6.703	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408791755	BYQKHGOEOOWMRU-CXUHLZMHSA-N	548.220	6.595	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408794427	SFTVLHZVRIUCDI-LZYBPNLTSA-N	581.091	7.643	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408794856	JJIOFXSKYCFIGH-GIJQJNRQSA-N	573.774	6.286	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798284	VQAUVVNWOYFPAK-CXUHLZMHSA-N	628.091	7.485	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1	408817225	KYUQGAFBTGXTSA-QFEZKATASA-N	604.444	6.264	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1	408817946	MMGVVHBPOIYRJJ-GRSHGNNSSA-N	668.244	5.846	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccccc1F	408818074	MTWZJYMXIAWHKS-YVLHZVERSA-N	546.311	5.703	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c(OC)cc1Cl	408823958	HALQCNHDRUPSOV-CAOOACKPSA-N	547.822	6.797	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(=O)(=O)c1ccccc1	408830573	NEHQQVNEZGIFOH-ALQBTCKLSA-N	671.013	6.598	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Br)c1	408838022	BKLJIZNIOWPKOY-KVAAJVFYSA-N	631.983	8.621	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1	408850670	QOFLFOMYBFOSOC-WKIKZPBSSA-N	558.226	6.309	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl	408856729	DMKDIWNESCFMCQ-WCMJOSRZSA-N	630.948	5.760	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1	408861943	GTUJEPZAZYPUJN-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408863435	OKZZBNNEPGIHFT-VTNSRFBWSA-N	602.927	6.571	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Cc3ccccc3Cl)c(OC)c2)cc1	408869421	DERUEYKZQWBPSI-WOJGMQOQSA-N	558.803	6.098	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408878081	ZJZVCWZLFIPZRA-RGVLZGJSSA-N	540.376	6.192	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc(C(C)(C)C)c1O	408878309	ACBLSIZIRCOBIK-OKCVXOCRSA-N	526.033	6.892	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1c(Cl)cccc1Cl	408878950	BWJYLRAIJRPSQA-FOWTUZBSSA-N	516.178	6.521	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408879894	HSLNRAXGDAVAGF-VZUCSPMQSA-N	529.572	5.718	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1Cc1ccccc1Cl	408883060	QICADVLZDNZMKI-RQZCQDPDSA-N	549.774	7.266	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OCc1c(Cl)cccc1Cl	408890398	SMCQGCFSHUJBSG-MHWRWJLKSA-N	579.221	6.731	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	408891162	MKYOZKIMZPJMBP-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c1OCc1cccc2ccccc12	408893128	FSSMZNDFYXNOAE-CJLVFECKSA-N	560.391	6.578	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(Br)c1	408897558	YDCLJWBGBVWORT-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	408903917	BEHYLGWRMXPPES-ZMFRSBBQSA-N	508.328	5.755	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCc1cccc(C(=O)O)c1	408913969	WMQHOGWFFXRKCP-HNSNBQBZSA-N	603.469	5.511	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408955804	UQOMEUWISCNQIZ-JJFYIABZSA-N	698.302	6.094	50	40	KKGB	
Cc1cccc(CN(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1	408970849	LFJKJRINPMCQDD-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	408988331	HQPIGDJHRKREEF-DETKUZOUSA-N	596.471	5.292	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)COc4ccc(Cl)cc4Cl)o3)sc2c1	408990661	LIDOEPFHPRTHNN-OPEKNORGSA-N	522.435	6.275	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccccc1	409003635	TXLFFUUJEBUAHU-UZWMFBFFSA-N	521.573	5.629	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)CCCOc3ccc(Cl)cc3Cl)c3ccccc32)c1	409015957	PXMSDVBLELIZCH-UVSNGFIMSA-N	621.609	7.453	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409035618	JQAHDCHTZFWUHH-FDAWAROLSA-N	549.612	6.805	50	40	KKGB	
CC(=O)Oc1c(I)cc(I)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409043093	ZIXXGGOSEFJRCW-CCVNUDIWSA-N	661.237	5.800	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409068942	UUAHPOSOEPJDGX-CJLVFECKSA-N	581.046	5.567	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1	409072203	MMCXABPPQCMCBM-FOWTUZBSSA-N	517.788	5.416	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCc1ccc(Br)cc1	409072590	WEPWBCDCBFJOGC-PXLXIMEGSA-N	535.413	6.840	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Cl	409072788	LAEPWYIIENNFPY-FOWTUZBSSA-N	517.788	5.416	50	40	KKGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1	409156303	NSALGMCFAPAQLJ-IIHBXENTSA-N	625.829	5.214	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409161944	XKNSYQFYGRUABY-VVEOGCPPSA-N	557.434	5.034	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccccc1	409183314	ATMWOJVJOOZPSF-LQKURTRISA-N	514.047	5.029	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N	409187562	RXONJSVSMDIXHD-ODJMLSMJSA-N	577.280	5.998	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)c(C)c1	409222424	CWRLOYBECMSMED-VCHYOVAHSA-N	617.725	7.045	50	40	KKGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)cccc2[N+](=O)[O-])cc(OC)c1OC	409222974	FSUYGFANKAWEQD-OHUYPAJKSA-N	612.595	5.164	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NC(N)=O	409234032	XXYBPAXICWBPRY-JYOAFUTRSA-N	503.567	5.090	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCc1cccc2ccccc12	409236430	GCMGFENRFRWONV-NUJZUDFISA-N	565.493	5.839	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409246079	DONQBKVFNRGGKH-AIRTYWKNSA-N	505.958	6.010	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409249206	GTXLXRJIRPEXDW-VYYCAZPPSA-N	530.806	5.283	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409261816	BTOFWYXEBYYPCM-GJILBICPSA-N	526.420	5.393	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409265797	PGILUEJVQGAGSH-YLYVUXRMSA-N	695.028	8.612	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1	409304550	RXSQTSNLZFRKKJ-MNBJERMJSA-N	510.546	5.315	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1OCC	409313387	BSOLWSDGLRXUCX-YKQZZPSBSA-N	600.453	5.996	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OCC	409335891	QBNPDFFYFUSEAR-PKAZHMFMSA-N	517.003	5.059	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccccc1	409364437	PNZXEFPTEACGAD-AEUUOICLSA-N	650.501	6.356	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)c1cccc(F)c1	409393911	SZHBXPQUCASLSD-IUXPMGMMSA-N	613.062	7.598	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)cc1OCC	409396722	AKMVBZYZHJYLMX-UHFFFAOYSA-N	582.056	7.269	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398942	WSOQOEJXVSQPCW-UHFFFAOYSA-N	722.976	7.277	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409398971	XGALNVJXLRFTGL-UHFFFAOYSA-N	592.995	6.080	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409399035	XOGHZHKGNWGTEY-UHFFFAOYSA-N	635.982	7.228	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)o2)cc1	409406411	WPYZJUVTLLOBID-BOABNOFISA-N	630.720	8.156	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OC(C)C	409406548	XBWNASZMLFZHBR-KYHGBAKBSA-N	641.506	6.821	50	40	KKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1C	409410260	ULHXYQUZXSHKDB-GXBUFBABSA-N	534.660	7.000	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409410474	XKKMYVCOVMOKMD-XZYGTATASA-N	626.507	7.320	50	40	KKGB	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	521838133	LLDQVINTBNWOHR-VNCOJPLFSA-N	591.038	9.580	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1	1529548751	NDUNNSQAJPIQTL-NZBLFOEUSA-N	716.054	5.965	50	40	KKGB	
O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccccc1OCc1ccccc1	2134558	NMLNZULMKSWZSI-DHRITJCHSA-N	518.205	5.320	50	40	KKGB	
CC1CCC(=NNC(=O)c2ccc(O[C@@H]3OCCO[C@@H]3Oc3ccc(C(=O)NN=C4CCC(C)CC4)cc3)cc2)CC1	6461780	JNZFCHIRCSBKHL-HQSVEVGJSA-N	576.694	5.435	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1OC	9057362	ZNIYMXFRYHXPQN-TXNBCWFRSA-N	502.634	6.213	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(OC)c1	9323650	HRUNVFZQXWKDGE-UVHMKAGCSA-N	501.352	5.257	50	40	KKGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)c([N+](=O)[O-])c1	9355288	FMBIKMIVQCLFQH-HDARYGDVSA-N	512.320	5.316	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1	13189446	DHHZUGRREODERP-AREMUKBSSA-N	501.652	5.695	50	40	KKGB	
Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	13595780	QFRMBSUKYQCQAN-JFLMPSFJSA-N	505.372	5.362	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1cccc(Cl)c1Cl	32576866	PSSTZHVZWYZKBW-PPDIBHTLSA-N	503.842	6.287	50	40	KKGB	
COC(=O)c1c(NC(=S)NNC(=O)COc2c(Cl)cccc2Cl)sc(C)c1-c1ccccc1	97945360	DFGCIASYNJMRAF-UHFFFAOYSA-N	524.451	5.214	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	97980833	OYSQWIHRCSQFJO-MWBNBJEGSA-N	533.550	6.426	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(n1cccc1)=C(C#N)[C@@]21C(=O)N(Cc2ccc(F)cc2)c2ccccc21	98008235	PEGHGPRCYUFLGS-PSXMRANNSA-N	586.642	7.107	50	40	KKGB	
N#CC1=C(N)OC2=C([C@H]1c1cccc(Br)c1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12	100032476	COLWJTDUUFPCPB-QFIPXVFZSA-N	538.398	5.115	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100119510	VPCHTCTVCBWZJS-KBVAKVRCSA-N	569.514	6.131	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccccc1	100122990	NRNOSOGXAFTTOJ-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cc(Cl)ccc2OC)cc1OC	100304295	QNFIQPMXFBSZEP-ATZGPIRCSA-N	629.110	5.258	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	100326068	CJKGTSLZTBUJDV-RPPGKUMJSA-N	532.778	5.671	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1	100335616	HAUMULBCRKATBA-CIAFOILYSA-N	538.385	6.041	50	40	KKGB	
CCc1cc(Br)ccc1NC(=O)CCCCCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	100395005	YSUAFJDLKNMOOC-PBGGHTPGSA-N	619.192	5.288	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(Cl)c(Cl)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852105	OOYQMYQRXVSXNY-KCSSXMTESA-N	582.557	7.180	50	40	KKGB	
BrCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1	101000753	IYTITNMLURFZGZ-CVKSISIWSA-N	526.232	6.279	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cc(Br)c(O)c(Br)c2)CC(=O)N1	102808357	UEXADNMKDXRDTQ-CQSZACIVSA-N	565.287	5.190	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC(=O)Nc1ccccc1	103845196	VLANPBJIYQQWRM-BKUYFWCQSA-N	573.447	5.222	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OCc1ccccc1	110201151	YNIURWGIXYATPE-STBIYBPSSA-N	550.396	6.186	50	40	KKGB	
CCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341819	OIIYUOGYWNENLG-LJQANCHMSA-N	712.457	12.180	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	150351440	VIHWLWTWOZVUHE-HYJBYXKKSA-N	656.489	5.717	50	40	KKGB	
COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2	254169251	WPTTVJLTNAWYAO-RRPQCQSHSA-N	505.699	6.379	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	408537405	DQMBFODWUDMDSE-IWIPYMOSSA-N	570.001	6.960	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(C)cc1	408540926	CVKDGXJXCUOYSQ-NHDPSOOVSA-N	525.342	5.950	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542159	HQGKEMSXUIKEBF-STKMKYKTSA-N	536.632	5.455	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31	408648503	WMQLMQGYEGSFSH-SHMGPBLASA-N	592.306	5.938	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408718803	KWBVPGOKSPTIQO-IYONWMHWSA-N	554.312	7.010	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl	408718937	WRMIEFSDNDSFIZ-QKNZPEKYSA-N	540.285	6.620	50	40	KKGB	
CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1	408729818	DKNJCXNFEYEIPD-HYLOUFHZSA-N	541.607	5.052	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OC	408743136	DXEHUUSOAWDATB-MDWZMJQESA-N	527.156	5.007	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746335	RVFRTNKKBOXESM-APSNUPSMSA-N	684.655	6.403	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Br)cc1	408774197	YCJRGBULXVGBKM-BWAHOGKJSA-N	621.373	6.775	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408791744	BVHCGLLWTIEHLP-CAOOACKPSA-N	501.753	6.470	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1	408792548	KRVNCCWBXFHZMP-YBFXNURJSA-N	760.151	7.187	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1cccc2ccccc12	408794809	KBZPRUSQMHHVDL-LPYMAVHISA-N	561.863	7.779	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1C#N	408798298	VPEWPXXRVYWIHN-SSDVNMTOSA-N	563.395	5.913	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408798656	WNRUOVGXESBIEU-YBFXNURJSA-N	713.151	7.345	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	408798811	XEMMICSTKRLRIG-LZYBPNLTSA-N	611.117	7.652	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(F)cc1	408799560	ZSEWTFOTBWTQKI-RQZCQDPDSA-N	515.766	6.375	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	408801911	WSRFIPMWSUYTPK-KGENOOAVSA-N	531.837	7.689	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl	408803166	LXZYCOOUQRAFPY-TURZUDJPSA-N	559.065	8.505	50	40	KKGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC	408805495	KSTXPJQXCFUZHZ-WOJGMQOQSA-N	504.368	5.641	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408825634	FDCDRJLXIJEAQB-QLQYKETESA-N	648.001	6.776	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2ccc(C(C)C)cc2)cc1	408833906	WQZNJUCLDYTVEA-OKCVXOCRSA-N	517.573	5.483	50	40	KKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Br	408834450	WCMPVJATQYIDBR-XSFVSMFZSA-N	521.798	6.239	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408838345	DPUNCKVVVHQHIW-KCSSXMTESA-N	586.988	5.882	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Br)c2)c1	408879262	CMVBWBQLWQBKLI-UDWIEESQSA-N	510.229	6.657	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OCc1ccccc1Cl	408893896	GSGYVSRGNHJKBY-KKMKTNMSSA-N	516.406	5.965	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c1OCc1ccc(Cl)c(Cl)c1	408897586	YPALDKBQGHLCQM-GZTJUZNOSA-N	579.221	6.731	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1Cl	408898072	KFROAZNSBKTJSG-RQZCQDPDSA-N	565.773	7.255	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccccc1C#N	408904894	QBVDXORTBOZXRH-LJUMEUDFSA-N	524.533	5.683	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccccc1F	408943710	ICXQZQRFJKPMSX-WJOKGBTCSA-N	646.741	5.027	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408946741	PPSYLOWNXVLWHH-MUXKCCDJSA-N	583.382	5.136	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1	408949659	RKAUXEWHGJRLPV-JGCGQSQUSA-N	717.642	6.075	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1C	408953135	WVTRRLZTODGWDG-UUWRZZSWSA-N	720.679	6.865	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1F	408953242	XFCPNCUFIAUAQQ-HHHXNRCGSA-N	734.442	5.815	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	408954385	ZCTPLTUXTUACLE-MHZLTWQESA-N	854.461	5.058	50	40	KKGB	
COc1cccc(OCCOc2c(Br)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)c1	408972473	UFSIUCIGSRLGAS-FYJGNVAPSA-N	537.410	5.147	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1ccc(Cl)cc1Cl	408981518	BMZISOFDYPAGQG-CAOOACKPSA-N	580.693	7.851	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	408983096	KJNSBJHLMIFJMU-MFOYZWKCSA-N	534.212	7.328	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1	408985454	WWPFJWIXYRJZFQ-MFOYZWKCSA-N	642.118	7.794	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OCC)c1	409004102	WOJWGPPDRCFKTG-KMVFSOCUSA-N	686.401	6.478	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)cc1	409035427	SQJWFJTXPGSYQK-UCMJSZAQSA-N	516.601	6.250	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409043892	FRYYXAIRTMIURU-KVAAJVFYSA-N	649.770	8.423	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(C#N)cc1	409046001	QTCVUIZXAKYLFX-XZYGTATASA-N	638.465	6.730	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1Cc1cccc(Cl)c1	409046571	KQZXYZQJBQVKRH-JEPNHJGPSA-N	529.043	7.631	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)C(=O)Nc1ccccc1Cl	409049709	XXBZZFOKCAWSEE-CXUHLZMHSA-N	564.636	7.129	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	409057678	QGKWKRDHMWJODX-RQZCQDPDSA-N	548.618	7.416	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1)c1nc2ccccc2o1	409066057	LMBHRJBOLUBTFC-RQZCQDPDSA-N	554.194	6.694	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409086775	RQRLXIQWOPUCQE-LDADJPATSA-N	520.467	7.083	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409089410	IHAKRSHLJNQRJJ-DEDYPNTBSA-N	558.503	5.365	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1cccc(Cl)c1	409138298	ZQTITSFUYYBQMY-JOCHJYFZSA-N	528.834	5.420	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Br)cc1	409143233	MBMNXQXAFKIBGN-QFIPXVFZSA-N	558.226	5.723	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1	409214756	YOUSEOPMFCEHBW-RPPGKUMJSA-N	615.718	6.529	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccccc1	409220090	UDTVWNSJIYBJQF-UHFFFAOYSA-N	541.991	5.974	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)c1ccc(C)cc1	409222874	FHHHGLPMNDOPLT-UHFFFAOYSA-N	566.570	5.537	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12	409232985	UAKMKHVYZDUUMH-SZJFIWSWSA-N	511.021	7.255	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)COc3ccccc3I)o2)c(Br)c1	409236657	STZMXWNVWLXMNX-KSEXSDGBSA-N	539.167	5.151	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2I)cc1	409244151	YOVXFUPVTGNNAL-WGARJPEWSA-N	502.327	5.011	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409252480	SBYUTNXVQQUKGI-PXNMLYILSA-N	614.643	8.008	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)cc1	409257306	PYVWQDMVLUHDCA-ODLFYWEKSA-N	613.306	6.400	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409270978	SJTWPHPODUISLG-YBFXNURJSA-N	507.949	5.668	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)ccc1OCc1ccccc1	409325157	XFPVACJTZQLWGL-KMUKQRDJSA-N	684.958	7.664	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)ccc1OC	409330626	BXFNSSPLLUHGMI-NUJZUDFISA-N	530.408	5.491	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1	409372583	FIAADQVLPXXNCB-ZDLGFXPLSA-N	508.803	6.939	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCc4ccccc4Cl)c(I)c3)[nH]c2c1	409374631	VKYVEOVAJYUUHK-MFOYZWKCSA-N	651.673	7.377	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409383978	STXWLOUSNWWQTR-VCHYOVAHSA-N	601.447	7.053	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409395919	TZSJUGJNEBITEC-UHFFFAOYSA-N	647.323	7.352	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)cc1OCC	409396685	ACQDTZSNQNKOKO-UHFFFAOYSA-N	642.108	7.286	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409398080	QGXDELLFUIXSFV-UHFFFAOYSA-N	586.475	7.832	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409398100	QMNZCPZOJUVCOO-UHFFFAOYSA-N	563.566	5.564	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(Br)cc1	409400111	BJVWJIVWAVQFOW-GLJXUZQSSA-N	668.588	8.109	50	40	KKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)c2C)c1C	409409889	RSWXZVVYTHFHKQ-KMUKQRDJSA-N	578.669	6.533	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(C)c2)c(Cl)c1	1529547649	NNEPOGHKYCCTJK-DMFIQNIRSA-N	641.577	5.766	50	40	KKGB	
NNC(=O)c1cc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)NN)cc1OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	2049305438	AGXZTUYXGZJVOI-UHFFFAOYSA-N	718.336	5.368	50	40	KKGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1cccc(OCc2ccccc2)c1	1876080	KZCAFBAKFZDXRY-OCSSWDANSA-N	556.738	6.805	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1C	2056124	GNJSHJGETQCXLM-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2I)cc1	3102820	PATPQYYERSSFIZ-WTIJGKOKSA-N	553.400	5.001	50	40	KKGB	
CC(C)(C)c1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1	6110663	RALYQAKSTYQXKQ-QGOAFFKASA-N	506.468	5.547	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(COc3ccc(Br)cc3)c(OC)c2)c1	18192494	VUGNNLOINXWYAM-DEDYPNTBSA-N	507.384	5.981	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1	97960887	VXSXJRCMSSZACV-HZQMBONKSA-N	558.685	8.373	50	40	KKGB	
CCOC(=O)c1c(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)sc2c1CCCC2	97962137	IQEOZMNSUNIPLA-XDJHFCHBSA-N	526.618	5.762	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1	97965589	UYRAREIZRBYBOO-QLQYKETESA-N	530.628	7.199	50	40	KKGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)cc(C)c1Cl	100014911	VNAUTOKQAVKOSX-GCFMLEDASA-N	555.462	5.285	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC(C)=O)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852080	JIXFRWOVNOIOQZ-DPNNOFEESA-N	617.728	5.425	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	101087388	AUJHMJDFNSLZOC-VJSYINPZSA-N	535.691	6.905	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	101738302	RHIIKWOZDOANAE-RAWMCFOBSA-N	517.754	6.558	50	40	KKGB	
N#C/C(=C/c1cccc(Br)c1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1	102620526	OXLPHQSPNBJITO-WJDWOHSUSA-N	526.868	7.604	50	40	KKGB	
CCOc1ccc(N/C(SCC(=O)N[C@@H](C)c2ccccc2)=C(/C#N)C(=O)Nc2ccccc2C)cc1	102719021	YGPKDALKECZGDE-PDKRQQHWSA-N	514.651	5.790	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4cccc(C)c4C)c3C)sc3c2CCCC3)cc1	103866104	ZEQKDWXXJINTBA-OHUYPAJKSA-N	553.732	7.368	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	150385725	XUTBHHVWHOVEFA-ATZGPIRCSA-N	633.490	6.221	50	40	KKGB	
FC(F)(F)c1cc(P(CCCP(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1	169806282	KUCKQBNXASRTQX-UHFFFAOYSA-N	956.429	13.793	50	40	KKGB	
C[Si](C)(C)OC(C(F)(F)F)(C(F)(F)F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	169806522	YAANASLMFRNTIX-LURJTMIESA-N	524.243	6.736	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1	198311741	IMZZGMWOXFMJSD-ALQBTCKLSA-N	642.561	6.325	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Br)ccc1OCc1ccccc1	408540825	WERHUFOYILUCBE-ZMGVVAQMSA-N	669.326	7.050	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553541	XFTQDFJRDNLSTA-VXLYETTFSA-N	617.327	7.335	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br	408568881	LJOBSECBMKEFHZ-MSXFZWOLSA-N	572.344	5.784	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	408604420	IVEQFTUGHILQIE-XDHOZWIPSA-N	535.431	6.967	50	40	KKGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc(Cl)c1OCc1ccc(Cl)cc1	408610342	TTYKVHDQFFWSAQ-LJQANCHMSA-N	528.436	5.694	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408659489	VWKKSTJWGXREBS-BRORTUQTSA-N	627.499	6.609	50	40	KKGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc23)cc1)NNC(=O)c1ccc(Br)cc1	408668409	STBZYDGBKGDSOE-UHFFFAOYSA-N	604.457	5.508	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408677859	VQNKSDWLGINXHM-STBIYBPSSA-N	567.440	5.699	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(F)cc1	408710698	FYCXUNVBNACEDY-KBKYJPHKSA-N	585.065	6.456	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4Br)cc3[C@@H]3C=CC[C@@H]32)cc1	408751401	MMIUIWLBUJOZBU-HMIXUQBKSA-N	576.560	7.058	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1cccc2ccccc12	408758756	QLLUOUYRFOYYSB-BUVRLJJBSA-N	541.445	7.434	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Br)c1	408763411	OBIOYLPPLMDHLW-PXNMLYILSA-N	672.542	7.594	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1	408774143	AFHUEVLGSZTLOI-GUBAARJWSA-N	638.145	7.027	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1cccc(C)c1	408792553	AWOZKFDFQSPZJG-UDWIEESQSA-N	570.281	7.043	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408793104	NKASDSSMDMWCGD-YBFXNURJSA-N	647.263	5.974	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(C)cc1	408796428	YCHSPXBMXCEVKW-KEBDBYFISA-N	525.830	6.853	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1cccc(F)c1	408796703	YWXDZCURRXJDOF-VCHYOVAHSA-N	574.244	6.874	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1cccc(Cl)c1	408800485	MVYBWDCPYVMEJE-SRZZPIQSSA-N	586.857	7.085	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(I)cc1	408816282	JFPPNIMIWOJKCO-JLPGSUDCSA-N	564.423	5.831	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(Cl)cc2)cc1	408832428	QQBFKBLLSHRFKD-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408832963	RAOAUGSRDXILDG-HZHRSRAPSA-N	618.871	7.714	50	40	KKGB	
CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408836407	QXXQGAYBADHVKT-DEDYPNTBSA-N	570.281	7.123	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	408837215	AFDQCFMTSKRTJW-ATZGPIRCSA-N	629.497	5.496	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl	408853656	WAPYTSIBOYXINI-KYMQWJLESA-N	674.116	7.458	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)O	408855681	GFZXNKULEXESHB-CAQPMQTCSA-N	572.459	6.171	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)cc1	408857198	JXCUTHKEVTTXGH-HSASTMCKSA-N	535.669	6.112	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1	408867849	KIUJOXIXQPSXJJ-KEBDBYFISA-N	571.855	5.931	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3Br)c(OC)c2)cc1	408868049	MCXFRJYKWHBHKQ-XDHOZWIPSA-N	525.830	6.646	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c(OC)c1	408871454	YXQRBTKKVUVQAJ-DJKKODMXSA-N	714.725	6.369	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1Cc1ccccc1Br	408872769	IMASXAVKRLUTKI-FYJGNVAPSA-N	568.309	7.309	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc(F)c3)cc2Br)c(OC)c1	408872873	KLRYGJXVLMXWLW-KEBDBYFISA-N	555.400	5.416	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408874047	XWYBHWBPZCFZLA-XBQJKBNESA-N	566.105	6.069	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3cccc(I)c3)cc2Cl)cc1	408885862	GAXIFHLNKAJXJR-BRJLIKDPSA-N	589.238	5.438	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OCc1ccccc1	408898385	KWHOPOFCBOGIRF-RGVLZGJSSA-N	583.382	6.031	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408904715	NLWNMJDLWAKTHC-QDTIIGTASA-N	551.268	7.198	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OC)c1OCc1ccc(F)cc1	408912633	RJOZKXWGNYUDJN-KEIPNQJHSA-N	524.592	5.528	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C	408927134	ZSNAUKKDOYTRDS-RGVLZGJSSA-N	521.957	6.089	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1cccc(C)c1	408950317	JERLYHFVFREHLB-OYKKKHCWSA-N	558.476	6.482	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)c(OC)c1	408956923	RUZSPFHREQYYPG-SVYXRYDESA-N	778.600	5.761	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(C(=O)O)c1	408967037	OWLSKWLRLDHRNH-XKJRVUDJSA-N	551.315	5.518	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408970364	GTQCIXRGFBYRLH-OUQXRLOJSA-N	662.352	5.620	50	40	KKGB	
COc1ccc(Cl)cc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408974429	ZAXWPOABLDVSNM-CDIYLMMPSA-N	548.854	5.301	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408996442	DVPLWDAAGBTEOL-DHDCSXOGSA-N	645.562	8.305	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1	408997240	MFBBTEMWXNWENL-KBVAKVRCSA-N	621.285	6.447	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408997250	MGBUPXYLDPRKNH-BIZUNTBRSA-N	566.570	5.537	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408997317	FEUDCDQLOWTGGX-YFCJGIHKSA-N	812.512	5.360	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	409001074	GLROHJXRJFGXJP-OCSSWDANSA-N	587.386	5.593	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1cccc(Cl)c1	409035207	OZYRTVVYVWCPON-FABQOPTDSA-N	600.900	7.669	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409044300	BRMQHFAMTZQPDZ-LZYBPNLTSA-N	502.741	6.680	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1nc2ccccc2[nH]1	409048845	UGMMLQBJOLUCTJ-LICLKQGHSA-N	509.201	6.731	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccccc1C#N	409049433	QVTBKHFULDTGEF-QJOVZPHJSA-N	652.492	7.120	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1Cl	409059686	WWAMHSJENLRQIN-SFQUDFHCSA-N	510.775	5.666	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(Cl)c3)c(OCC)c2)cc1	409159508	NBPZXDNACOQBEF-VTNSRFBWSA-N	692.938	5.629	50	40	KKGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(C(F)(F)F)c1	409160054	SGNCSHYKHQXCSE-QFDQHJFZSA-N	587.769	5.772	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	409180431	SNSJZEVNPGUAAL-QASNDGBQSA-N	579.631	5.874	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccccc1Br	409187421	QEFBRJPXIIRHAR-BRJLIKDPSA-N	567.075	6.317	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409215360	ZPNIHHCJJQAFFO-KVSWJAHQSA-N	580.863	5.510	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Br)cc2)cc1	409219124	JEVIBFOWHGHPDG-CAQPMQTCSA-N	590.861	6.267	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	409222140	ACSWWDIKODXZME-UHFFFAOYSA-N	620.843	6.067	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1	409225987	RBZQETYATWDPQW-LDADJPATSA-N	524.360	5.343	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C	409260376	PNIJLRXOOZPWJA-WBIBEUCMSA-N	619.747	7.269	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409268224	ZVQUPHDMKVSHTM-MUXKCCDJSA-N	560.832	5.291	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	409268365	SMBYRNPKTOJNRD-YBFXNURJSA-N	527.930	6.539	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409312716	HEYKUWPOCSRGTR-LEWJYISDSA-N	602.418	5.521	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	409313464	OVIVFKOTTKVQKG-MWLSYYOVSA-N	507.974	5.003	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OC	409314786	TWTPWFYHVDZJMN-QRQIAZFYSA-N	507.543	5.134	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	409316633	LRSCLZPCGCMZAL-BJUCDSOZSA-N	569.872	7.577	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1OC	409331073	DMZDXLWIOUVQPC-MUXKCCDJSA-N	619.266	6.036	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cccc(F)c1	409394263	XWZPHONNJYCZMD-SOFYXZRVSA-N	650.056	7.985	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(C)=O	409395207	KZYUNUSKYFQOOL-UHFFFAOYSA-N	784.255	8.039	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396435	QLIBGEKWVDNILI-UHFFFAOYSA-N	631.607	7.253	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409396865	CDUYNKVQOSLZDR-UHFFFAOYSA-N	646.881	6.971	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409396870	CGLRUWIKNQFKQD-UHFFFAOYSA-N	552.518	5.874	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409396979	DOONQQHCMNCCFH-UHFFFAOYSA-N	608.481	8.287	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCc1ccc(Cl)cc1	409404615	QLAFBZIEAUHAQT-KOKCXWAISA-N	676.995	8.424	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	1529544430	FXVFWMZRCJDBMY-ARAPEELFSA-N	714.804	6.605	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1cccc(F)c1	1529549192	UWTHLKUELRSTSS-LLUBMPASSA-N	660.768	5.417	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	1769516	YQDATUTZMOERME-GHRIWEEISA-N	547.976	6.959	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2	2207755	OXAZGRDDIDUAAD-UWXVCKHVSA-N	509.672	7.315	50	40	KKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)sc2c1CCCC2	2343561	XMMHJAIOHYDEJZ-PTGBLXJZSA-N	537.685	7.132	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccccc1Cl	3091132	CNRGUSXALTUYER-OKCVXOCRSA-N	509.002	5.919	50	40	KKGB	
COc1ccccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2ccc(Cl)cc2Cl)n1-c1ccccc1	8397438	NBWUGBQAOIBIDW-UVPDUMAMSA-N	555.491	5.826	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	9311056	RJRGPAWRWVMHBU-BHGWPJFGSA-N	505.270	5.375	50	40	KKGB	
COc1ccccc1/C=N/NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1	59856266	CRAAZXXMPACXTP-ZCTHSVRISA-N	548.064	5.816	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	59856429	CAHSKZAPXNOKMT-QXUDOOCXSA-N	584.097	6.667	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(I)c1	59857432	AKSHZGMEQRAHEV-OVVQPSECSA-N	595.890	5.297	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	96398831	RBUMRHIMFWBFFJ-BOPFTXTBSA-N	509.509	6.405	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(-c2ccccc2)cc1	97968910	LDTCMNNYAPMZPW-KEIPNQJHSA-N	564.736	6.626	50	40	KKGB	
ClC[C@@H](Cl)Cn1c2ccc(I)cc2c2cc(I)ccc21	98048117	JAFWMDYJXFETSY-SECBINFHSA-N	529.974	5.850	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1	98048530	GZSHWHHTDSJXQO-XMMPIXPASA-N	579.044	6.469	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100125641	HBTFQGMEYOLECJ-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I	100451185	JAVUAEFFUFNMPE-YUMHPJSZSA-N	591.243	5.005	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	100988234	BUMLMCHNHNMUHF-JSIHEXFSSA-N	583.305	6.277	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1ccccc1O[P@@](=O)(Cc1ccccc1)c1ccccc1	101620994	MYHUKVRQQHDZHG-DHUJRADRSA-N	508.494	6.509	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	102808163	LTSYIYZDCTYIEK-SANMLTNESA-N	547.080	6.565	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1OCc1ccc(Cl)cc1Cl	102932951	WDBGKLFQOXXANY-SXGWCWSVSA-N	555.767	7.799	50	40	KKGB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NNC(=O)C(c2ccccc2)c2ccccc2)cc1	103921935	YYYDBFQDYJREKO-HFTWOUSFSA-N	573.678	5.783	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	105437450	WDWAHGWIRXJUQN-FMFFXOCNSA-N	595.508	5.981	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Br)CC)CC[C@]4(C)[C@H]3CC[C@]12C	118918060	UKWGOBGGUGJZAH-SOAPJMSXSA-N	551.719	10.118	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342039	NLKSRUZQKKYTGV-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
O=C1OC(=O)c2cc(C(c3ccc(Oc4ccc(C(c5ccc6c(c5)C(=O)OC6=O)(C(F)(F)F)C(F)(F)F)cc4)cc3)(C(F)(F)F)C(F)(F)F)ccc21	150347627	STNYPRLLPILIPZ-UHFFFAOYSA-N	762.455	8.922	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	150452895	DLCYBOUWKMHZSN-XZYGTATASA-N	665.603	5.544	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539849	KCFBWVKWZGFFEG-IPHFVPNQSA-N	546.623	6.779	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408540505	SPHSBJVXEVCLOR-GXBUFBABSA-N	559.062	6.598	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccccc1F	408554723	UGZPTGPBJFIYPG-YBFXNURJSA-N	580.479	6.924	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)c1ccc(Cl)cc1Cl	408581670	YOZAHEHQWXMHQE-VIZOYTHASA-N	556.056	8.301	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	408583673	WHFMGUNXIDGHGJ-QGMBQPNBSA-N	549.248	7.425	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1C	408606373	LSESLRVDKPGSQI-KVSWJAHQSA-N	504.801	5.931	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	408718622	KLYWGXLFVUOUPQ-VYYCAZPPSA-N	516.337	5.212	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccncc2)cc(I)c1OCc1cccc2ccccc12	408723050	PUVZDXHBNLJWSO-RWPZCVJISA-N	537.357	5.191	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1	408726090	RZFOMXRGJTYIMP-HPNXWYHWSA-N	601.504	7.798	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1	408727083	YERSZAAZKXBLCX-MFOYZWKCSA-N	532.221	6.889	50	40	KKGB	
Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)s2)cc1	408732482	VPITZJMSUWVKFO-IPPBACCNSA-N	554.459	5.677	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2I)c1	408745929	AYXNYJBAOQIKSC-NHDPSOOVSA-N	634.255	6.007	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(I)c1OCc1ccccc1	408762225	JUDSOSTVKPXZPH-ZVHZXABRSA-N	574.418	6.968	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408764573	XNDXARMQTQGHAG-IBBHUPRXSA-N	567.480	6.486	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408766408	QCBMVZULSLSMKT-BIZUNTBRSA-N	611.717	5.755	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl	408773654	SNUXRMHREXUIOK-WQRHYEAKSA-N	529.793	6.765	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	408777256	XFGNJQHBAUHRPH-IMRQLAEWSA-N	599.472	6.279	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408792850	CQDLZKIQTDGQGO-GIDUJCDVSA-N	673.088	7.393	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408793085	NFESLCMMCODXGG-XCVCLJGOSA-N	549.002	5.527	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408793239	OABPKQOJBKEWGL-GIJQJNRQSA-N	609.145	8.205	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408796506	OYWDSWWHPYMIQH-LZYBPNLTSA-N	669.188	6.068	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1Cl	408812966	CGLHQAQURNVDCW-NSKAYECMSA-N	515.180	6.577	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(C)cc1	408815213	USDJMUMFIODNIV-ODLFYWEKSA-N	542.348	5.872	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	408826143	CBZIVNFGWKUWTD-XODNFHPESA-N	615.333	5.260	50	40	KKGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC	408829125	OAASEICWNLEWCE-QUNVQEFESA-N	539.426	5.526	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408829814	NHVYJIGWEDPXQQ-YDZHTSKRSA-N	604.446	7.614	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408834717	VANXANCKYDZNBL-MYBYBSHWSA-N	755.919	5.630	50	40	KKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Br	408834994	XPSQQOUPBMRFCR-XSFVSMFZSA-N	525.830	7.016	50	40	KKGB	
O=C(N/N=C/c1cccc(Br)c1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408838753	HWUCAFNGKMMVIP-KKMKTNMSSA-N	547.261	6.987	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCc5ccc(C(=O)O)cc5)c(I)c4)cc3)cs2)cc1	408839005	LMTKREWKXJSHPT-KVAAJVFYSA-N	688.547	7.508	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408841599	LVGNDCMHMDKJIG-FADJLKOXSA-N	599.753	6.442	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408841985	HOAIVFXFNJIODT-DPNNOFEESA-N	613.051	6.627	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408856289	BTDOBJVQXKHVIO-QNVXDBMFSA-N	621.056	6.559	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1	408861016	KUHWAXVEZVODJV-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cc(Cl)ccc2C)cc1	408863533	NGEOARNADXJGFZ-MHDJOFBISA-N	617.986	7.017	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1c(C)ccc2ccccc12	408877173	UAPPSMAVPHCQHY-HZHRSRAPSA-N	530.546	7.690	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(Br)cc1	408886035	CXUXVIQMMMMILR-VULFUBBASA-N	532.232	5.953	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2c3ccccc3cc3ccccc23)c(Br)c1	408891024	KBHBQOMXFVIGOS-QGOAFFKASA-N	520.224	7.372	50	40	KKGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)c1	408921275	FQCKUIGAKJMDFP-OKCVXOCRSA-N	551.974	5.269	50	40	KKGB	
O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1	408923909	LCZNDEZEBXPNHA-HWLOXFRGSA-N	536.631	6.958	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408940602	CPZWYJAEFOOTKC-MHZLTWQESA-N	740.891	6.873	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)OCC)cc2)c(OC)c1	408948331	CSSIMCAMGSCCOL-LDKHFMKXSA-N	713.571	5.478	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408948845	HCOFEJZJMCAGNU-BKUYFWCQSA-N	626.292	6.380	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(OC)c1	408952895	KWNCCQRONCUBJV-ZMFRSBBQSA-N	550.780	5.305	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)c(OC)c1	408953684	MIVZKOPTNMKWIY-SVYXRYDESA-N	731.600	5.919	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccccc1Cl	408956463	XBFRVJYPOJCTKM-MTJSOVHGSA-N	564.867	6.437	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)c(Cl)c1	408966059	YVIYQZWUIHIBLY-VVEOGCPPSA-N	511.327	6.754	50	40	KKGB	
CCCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408969606	QOZGBAGAQUDFSQ-JJBFSQJVSA-N	542.463	5.427	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C(\C#N)C(=O)NC[C@H]5CCCO5)cc4[N+](=O)[O-])sc3c2)cc1	408987162	APNYDRNQDPXBDE-FJWZAKCXSA-N	599.694	6.119	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1Br	408997993	PNPPVUIZPLCMGO-IPBVOBEMSA-N	617.121	6.879	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC	409012112	HOADQWAYPAFNFA-WLRJZGMVSA-N	661.380	5.813	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCc1cccc(C(=O)O)c1	409016202	VADBXMHYFXEDHV-PNQUVVCRSA-N	789.158	6.844	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1	409026239	JPCJHPGHPCSBSR-VGSHQSRASA-N	609.546	5.954	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409031493	HAXDPLIEPDDSJZ-OXFVVAQESA-N	566.013	5.686	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	409072004	RFCTXWSOZJGZFB-XNTDXEJSSA-N	552.233	6.069	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409082276	ISUBJQLQNHPJDW-OQLLNIDSSA-N	524.873	5.599	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC	409110827	AIKRABIDRRFFDV-WKULSOCRSA-N	564.491	5.050	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2cccc(Cl)c2)cc1	409131128	JUFULAOZRAWXAN-KBVAKVRCSA-N	629.964	5.864	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)c(Cl)c1	409138775	HVVYEFLGSJZUHF-MHZLTWQESA-N	570.517	6.354	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(I)cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409138876	JEFBYZMXXJNSJG-RUZDIDTESA-N	662.366	6.015	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2	409139450	NPWZYYGPXUDINT-UHFFFAOYSA-N	589.196	5.133	50	40	KKGB	
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(-c2cccc(C(=O)OC(C)C)c2)o1	409155831	DFUTUTANLKHFKW-COXVRVBQSA-N	558.462	6.113	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12	409220061	XVHMUHFGJODWFI-KHMIOVBJSA-N	591.023	5.144	50	40	KKGB	
O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccco2)c1	409223410	FJPWXDIBULUGQJ-UHFFFAOYSA-N	566.795	5.931	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12	409225876	RVWYUKJIZRGWRC-RRCLOXMRSA-N	605.050	5.534	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	409234314	ZHEVDMWGRISKLR-KQWNVCNZSA-N	502.445	6.961	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCc1ccc(I)cc1	409238116	CFMSLEVNXRGPQO-KKMKTNMSSA-N	702.356	5.523	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	409242877	PKVOGTNQUDKACW-RRAHZORUSA-N	524.064	6.983	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	409262846	KFSAFGFMLWXTAI-QMRORBIVSA-N	715.826	7.624	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409263884	CQLOSKMQDXENMR-MTJSOVHGSA-N	548.437	5.946	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccccc1C	409264191	NPZCAXWKBYTUJF-BKUYFWCQSA-N	548.437	6.028	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409268275	RVESNHUWTYTTJL-GRSHGNNSSA-N	534.956	5.437	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)ccc1OCc1ccccc1	409319172	BNXVQOOMYQVVLX-QMRORBIVSA-N	658.427	7.910	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OC	409326413	KCZABIIAESSPBB-FDVSRXAVSA-N	559.844	6.027	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1Br	409333865	DSCNQQAJPRSPAK-MSXFZWOLSA-N	520.177	5.132	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)ccc1OC	409334444	LONDHGTUMQFGLO-WGARJPEWSA-N	612.296	5.151	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409337224	XIBPZQDCYKYSKC-SFTDATJTSA-N	627.344	5.573	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409360362	DZKMJAYFMWJDNV-OCKHKDLRSA-N	570.339	5.970	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409363169	KCGKJXMMHDDLFE-SXGWCWSVSA-N	514.340	5.704	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccccc1	409367827	HTFVVWTVQQDFAR-VULFUBBASA-N	532.232	5.953	50	40	KKGB	
COc1ccc(Br)cc1/C=N\NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C	409370563	APRGDFJERAGUGA-NUJZUDFISA-N	592.943	5.378	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409372375	WZTFYVUESAPORG-BOPFTXTBSA-N	560.338	6.050	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(OC)c1	409373902	WFOVHHMPDUQJOA-DPNNOFEESA-N	616.455	6.958	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	409374088	YAMFBYWDRKDALL-RWPZCVJISA-N	534.366	5.862	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cccc(F)c1	409389496	BMNWRQXVEUUAQG-ZDLGFXPLSA-N	534.166	6.836	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409395397	NDJJTXJKMVIQTD-UHFFFAOYSA-N	748.628	8.898	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)cc1	409395931	UBZLNCRLQFZCSL-UHFFFAOYSA-N	558.421	7.133	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409395977	UTJGIKNIJAOMSR-UHFFFAOYSA-N	733.766	9.324	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	409397790	OCKWVFJTFCDLLN-UHFFFAOYSA-N	586.957	7.362	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCc3ccc(Cl)cc3Cl)o2)cc1	409406104	WAMBRNWMRSUUDJ-KOKCXWAISA-N	631.560	7.982	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc([N+](=O)[O-])c1	409407322	ZJWNDBLCBDMFFY-UHFFFAOYSA-N	673.520	7.288	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)OC	409407432	ZTJKCQNLMLKNOR-ZMGVVAQMSA-N	624.488	5.743	50	40	KKGB	
Cc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc(N2CCCC2)c1C	409410401	WMPQISXUINGJDG-MZFJOGFUSA-N	510.638	6.247	50	40	KKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1C	409410634	YYUWAHBJCVPDJZ-OJYCWLPVSA-N	548.687	7.308	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	1529549205	VHKPYZSRFCOYJH-IUXXIWHHSA-N	706.048	6.510	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3cnc4c(ccc5cccnc54)c3)ccc2c1	1772715281	OAOXYBSWOZWDBB-UHFFFAOYSA-N	506.545	7.243	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1Cl	1026611	ZJHQADTUABUDEX-MUUNZHRXSA-N	559.091	6.364	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1	2176528	XUZZTYWEMAEZFN-RADJSOBHSA-N	541.051	6.367	50	40	KKGB	
O=C(COc1ccc2ccccc2c1)N/N=C/c1c(Br)cc(Br)c(O)c1Br	3059393	IVIMKIYQEBZWIM-NUGSKGIGSA-N	557.036	5.362	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(O)c(Br)cc2Br)cc1	3150269	TVQIEMZLRPWNGO-RPPGKUMJSA-N	540.296	6.160	50	40	KKGB	
CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c1)C(O)=N2	3287400	MLWNHARTRRWXMU-UHFFFAOYSA-N	531.421	5.653	50	40	KKGB	
O=C(CCCCCNC(=O)c1ccccc1Br)N/N=C/c1c2ccccc2cc2ccccc12	8385948	QNHFZOKIKYLHDK-ZCTHSVRISA-N	516.439	6.196	50	40	KKGB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C(/C#N)c3nc(-c4cc5cc([N+](=O)[O-])ccc5oc4=O)cs3)cc2)n1	8387263	ZDCRCTRJHBDWIU-AQTBWJFISA-N	601.626	5.009	50	40	KKGB	
Cc1cc(C)c(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c(Br)c1	9908304	XHKFLQZFPLYMLL-WKULSOCRSA-N	504.428	5.906	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccccc1F	28217221	ICLHCUMKQHKKEJ-KEIPNQJHSA-N	523.656	5.315	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1ccc(C)cc1	33347758	AHWLJHOVUHACLK-YKQZZPSBSA-N	501.583	5.361	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	59336189	IVLHWKGOMMDOLK-CHHVJCJISA-N	510.179	7.564	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1	59473689	ATFQIHYHTCOXFD-UZWMFBFFSA-N	514.050	7.039	50	40	KKGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	59647011	OEFRSGSHRYQQOW-ZCTHSVRISA-N	528.033	5.992	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1	97960709	FFBILXORHOQFCF-IWIPYMOSSA-N	527.418	7.126	50	40	KKGB	
Cc1cc(OCc2ccc(C(=O)NNC(=O)/C=C/c3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)cc2)ccc1Cl	97980606	HJDYCGGVYRGQCI-LICLKQGHSA-N	610.519	6.156	50	40	KKGB	
CCSc1ncnc(Nc2ccc(C)cc2)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97982974	DFEYFQDLHGPAEJ-UHFFFAOYSA-N	506.635	6.260	50	40	KKGB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21C(C#N)=C(N)N(c2nnc(SCc3ccccc3)s2)C2=C1C(=O)CCC2	98007187	IABNKPVXZWWUIF-HHHXNRCGSA-N	561.092	5.203	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccccc1	100289592	LGKUFGAHCRIZJB-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C	100988902	SRJIPFQNGZZUHS-NFHYYMBESA-N	522.457	6.675	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102809910	ZELSPEFAOLKABZ-AREMUKBSSA-N	543.580	5.440	50	40	KKGB	
COc1ccc(NC(=O)CC(=O)N/N=C(\C)c2cc3cc(/N=N\c4ccccc4Cl)ccc3oc2=O)cc1	104290451	JOMLHMWSUULDLS-SAWMMYNGSA-N	531.956	5.739	50	40	KKGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3cccc(I)c3)ccc21	104731729	DSNTZYQDWBBFKO-LQKURTRISA-N	538.389	5.554	50	40	KKGB	
CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)Nc2cccc(OC)c2)N[C@@]1(O)c1ccccc1	106019123	GWCUINQNOSDHLP-FEVNIDIWSA-N	578.090	5.167	50	40	KKGB	
CC/C(=C(\CC)c1ccc(O[P@](N)(=O)N(CCCl)CCCl)cc1)c1ccc(O[P@](N)(=O)N(CCCl)CCCl)cc1	150396830	PKIOPYYOOBASFD-SJVVBOGISA-N	674.374	7.868	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@H]2C[C@@H]([C@@H]3C(c4ccc(F)cc4)=NO[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	250536960	MWNYMQJXYBAJDE-MLBAWHDCSA-N	631.624	6.960	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)cc(I)c1OCc1cccc2ccccc12	408527081	KEEKIGODBVGYRF-MUFRIFMGSA-N	566.395	5.561	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OCC	408539622	IUNFRVOIZZFGEI-MBTHVWNTSA-N	515.370	6.590	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(C(=O)OCC)c1C	408546163	DOSGQEHQZGEDAM-UDWIEESQSA-N	630.944	7.124	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408579885	LBPYVKQMWNYMDR-WOJGMQOQSA-N	610.267	6.203	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Br)cc1	408661445	XCAFHIJXTPXTPW-VTLVALNESA-N	673.583	5.121	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21	408663200	YHDOCZKCWDWDLV-NCCCEKOESA-N	568.284	6.082	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)cc(Br)c1OCc1ccc(Br)cc1	408726460	NTKQGWNYJPJECK-MZJWZYIUSA-N	562.258	5.962	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408747895	VKXATZAWTCUGLA-ZDLGFXPLSA-N	586.236	6.043	50	40	KKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408759845	MTBTXBGHVXJTOQ-VVEOGCPPSA-N	524.326	5.723	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1C	408771918	LHECNRYKFPBCFG-UVHMKAGCSA-N	514.411	5.186	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccc(C)c(Cl)c2)cc1	408780383	BOIHGSHXLBOPKJ-STBIYBPSSA-N	506.027	5.456	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(I)c2)c1C	408788655	LYBXUGRHWFDZGQ-RGVLZGJSSA-N	526.349	6.172	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)c1C	408790210	VDCBCDINVZZMQY-QGMBQPNBSA-N	703.145	7.944	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1cccc(C)c1	408792799	CHLNXDUZWNMWIG-LPYMAVHISA-N	505.412	6.589	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1ccc(O)cc1	408793820	GVKVWUDDSWXBCZ-VIZOYTHASA-N	691.090	7.033	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1ccc(C)cc1	408794490	IQXJBTWQRDSLSE-FYJGNVAPSA-N	521.411	6.290	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1Cl	408796262	XPZCEEWTHIXIRA-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1	408796816	QBPXZYIPTAJVQP-VCHYOVAHSA-N	515.780	6.558	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(C)cc1	408797847	TZNJAHOATPEVJZ-WSDLNYQXSA-N	552.412	6.350	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c1C	408799420	YZVKZKXRNFVTTG-RGVLZGJSSA-N	634.255	6.637	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCc1cccc(C)c1	408826272	LDQWTNLWFMSEFL-KEBDBYFISA-N	541.431	6.842	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408831681	WJYAQBSUMBVTFU-QXUDOOCXSA-N	598.725	5.283	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838807	IROYTHILVSAWDH-FJEPWZHXSA-N	533.440	7.884	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2C)cc1	408842129	MEEXISOFHHOMOM-UVHMKAGCSA-N	524.857	5.609	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408843026	LGLYIZKCCSVDBD-KULFSUQXSA-N	652.003	9.256	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)c1	408849070	YPHVNYZRCASJFL-AABVJFSESA-N	691.947	7.769	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408855768	DJIYBTZDNNDCDQ-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1F	408857150	LEEODTJOICGMHB-NVJOKUIPSA-N	576.216	6.448	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)c1cc2ccccc2o1	408858798	SOCWZMRECOKXFI-PPDIBHTLSA-N	609.645	6.796	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1Cc1cc(C)cc(C)c1	408870346	VZHGLSUKGJQOIO-SRZZPIQSSA-N	523.858	7.173	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Br)c(OC)c2)cc1	408885918	GWQJRYBFNQTUOP-YBFXNURJSA-N	647.263	5.974	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cccc2ccccc12	408896420	RBCSOOKZMRLAHU-IBBHUPRXSA-N	527.835	7.542	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408897332	RNAKNXKXXARADM-LICLKQGHSA-N	517.390	5.624	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(OC)c1	408926927	ZUOIORAORWGGGX-LAFJBSAWSA-N	630.101	5.072	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)ccc1Br	408947598	CPXCHFVKMGMOBP-HMAPJEAMSA-N	501.428	5.912	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c(OC)c1	408949059	DRJVQOHWDUXLFJ-HVJLQFNCSA-N	809.306	6.282	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408949727	IRJJVRBCFIJLDU-MTJSOVHGSA-N	530.968	5.583	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1cccc(F)c1	408952018	UWTHLKUELRSTSS-JGCGQSQUSA-N	660.768	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1	408952124	VMCBDFPPKYFEGD-HHHXNRCGSA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)c(OC)c1	408952967	LCQXUMONQAQEBE-BUMGRRTCSA-N	748.574	5.752	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408972113	SCPHFJBWRRZUQR-QWVXJYIGSA-N	669.403	6.980	50	40	KKGB	
COc1cc(C)c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C(C)C	408973577	ZABBSTBPCGMNSX-SAEJDHDTSA-N	570.517	6.079	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1cccc2ccccc12	408977035	CHBVPUHKVOVEAE-NLLYSOFASA-N	583.685	5.988	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccccc1C#N	408979634	NNQTZBDLTBERLQ-KHIJKKSWSA-N	582.682	5.014	50	40	KKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)c1	409002840	WRWONAYHXOOAEI-STBIYBPSSA-N	549.412	6.042	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1	409007564	XVPDDRVILHQJKW-UZWMFBFFSA-N	541.673	5.224	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc3ccc(Cl)cc3)cc2)c1	409019108	VVARKJGOMZWDFI-NBCFERAOSA-N	522.045	5.287	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1OCc1ccccc1	409025647	VTBFUFMOXYLURD-KTGFABDDSA-N	587.698	5.761	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccccc1	409041365	VDGMWXOBTNQSAX-DPNNOFEESA-N	660.537	7.510	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)C(=O)Nc1ccc(O)cc1	409044351	BMWLVZBLILIHRH-CXUHLZMHSA-N	607.096	6.804	50	40	KKGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc([N+](=O)[O-])cc1	409044708	OVLFOBQEVSMLLY-DPNNOFEESA-N	611.452	6.924	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409068510	RSZIOWYBEMPTRM-WOJGMQOQSA-N	531.417	5.932	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1	409073223	GAUOGCKYILOAQB-LFIBNONCSA-N	562.239	5.525	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409083892	VXZUTMNARDKTAE-OQLLNIDSSA-N	573.325	7.508	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	409087445	CONWYILVTFOENO-MHWRWJLKSA-N	546.299	7.023	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409096194	JQCVZGPIRPLETK-DEOSSOPVSA-N	637.257	6.523	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409109498	GEUQMKGNSXTPBC-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409124628	BUAMBIPKDUZREX-HNSNBQBZSA-N	556.087	6.609	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C2=C1CC(C)(C)CC2=O	409138442	BUUVXANALHMTTG-RUZDIDTESA-N	526.464	5.955	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc(OCC)c1OCc1ccc(Br)cc1	409154883	OTIQUZFWJHEYGE-HNSNBQBZSA-N	602.485	6.765	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)Nc1ccccc1Cl	409186984	KMGXFCMFBQSCFW-ROTLSHHCSA-N	537.639	6.600	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1	409199438	DFMVKDMXJFTYGU-RPPGKUMJSA-N	507.812	6.063	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409224116	JCUDXGURNRMRSZ-ZXXBYFDASA-N	588.447	6.637	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	409267372	UFCWOVQHNHSZLD-LDADJPATSA-N	506.356	5.026	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1OCC	409315861	XELBIFLUSSTGHY-MUXKCCDJSA-N	660.768	6.194	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1OC	409333152	IXIXDRIZBYYTGY-MBTHVWNTSA-N	515.379	5.729	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	409335925	QIIPOSCZIFEITA-FDVSRXAVSA-N	559.844	6.027	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386801	SAKMVSDDSKIXAO-LUOAPIJWSA-N	717.710	7.015	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl)Nc1ccccc1	409387897	YDFQWOFOXOYNAL-LGJNPRDNSA-N	508.943	5.244	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCc1cccc(C(=O)O)c1	409391174	HOEZWILJBLPSBJ-GRSHGNNSSA-N	595.393	5.916	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409391210	HZBQUZIHIDTXID-KVAAJVFYSA-N	617.341	7.659	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OCc1ccc(I)cc1	409393173	UZXWYNLWETVNJQ-ZDLGFXPLSA-N	630.280	6.980	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)[nH]c12	409394469	AUVSXJNSFCMIGH-UHFFFAOYSA-N	716.213	8.658	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409394487	AZINZRCHEJEERA-UHFFFAOYSA-N	741.190	8.014	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409398802	VXVFDDYMZHYUMM-UHFFFAOYSA-N	560.654	6.591	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409398931	WPKBMSXDLNPSKP-UHFFFAOYSA-N	663.899	7.475	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1c(Cl)cccc1Cl	2709685	RHXQNJYSLSWUSK-KKMKTNMSSA-N	562.280	5.641	50	40	KKGB	
COc1cccc(N/C(SCC(=O)N(c2ccccc2)C(C)C)=C(/C#N)c2nc3ccccc3s2)c1	5944686	ABEAGSCBTVJDHM-SLEBQGDGSA-N	514.676	6.784	50	40	KKGB	
N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1	6060109	DGVGIXBAARUMGE-OQKWZONESA-N	547.731	7.092	50	40	KKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	10476020	VUWMJBYZBXNBNU-LQKURTRISA-N	511.962	5.317	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1OC	13564350	DQNJSMYMMRKIRF-OGLMXYFKSA-N	528.078	5.753	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl	14131036	OOBJYYBJYZJBOV-JAIQZWGSSA-N	515.778	6.905	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccc(C(C)C)cc2)cc1	15231303	RNQZERMGUICDTB-RWPZCVJISA-N	502.011	5.257	50	40	KKGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	40486406	GXRVJRFSTHNVBH-RUZDIDTESA-N	526.058	5.214	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1ccccc1F	55301012	ZKCKSVYMGUGHBZ-QNKGDIEWSA-N	509.629	5.319	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1ccc(Cl)c(Cl)c1	58913066	IUBKWEFUOPHWQQ-OPEKNORGSA-N	508.203	5.252	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)cc1C	58915023	MMJGLDKEDNSHQM-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)sc2c1CCCC2	97946832	AVQLGQXNRUNQBA-BMRADRMJSA-N	619.497	5.912	50	40	KKGB	
COc1ccc(NP(=O)(c2ccccc2)c2ccccc2)cc1P(=O)(c1ccccc1)c1ccccc1	97951054	VDAZFZPTPMAEFZ-UHFFFAOYSA-N	523.509	5.676	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	97960854	SCMQRZVKLUEGLQ-VFLNYLIXSA-N	527.360	6.179	50	40	KKGB	
CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(OC)c(COc2ccc3ccccc3c2)c1	97965822	ZDPCIXPKGZJYIS-ZVHZXABRSA-N	554.668	7.335	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C1/C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21	97984224	XFWKGHCSSBZQOZ-VBMGMRCRSA-N	539.035	5.246	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	98048613	HGBGCJFDJJRRDC-SANMLTNESA-N	601.050	7.275	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)n2-c2ccc(Cl)cc2)cc1	100852049	ZNHKPDXBFACLPK-APTWKGOFSA-N	568.102	6.718	50	40	KKGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1	102753517	HHAWKNQQARSUJH-RUZDIDTESA-N	540.085	6.148	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1	103901605	AQNCZXVESUUEQJ-ALQBTCKLSA-N	625.534	5.034	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1cccc(I)c1	105586402	XTEZZLSPOKHXCS-MFKUBSTISA-N	520.823	6.391	50	40	KKGB	
C[C@H](CCC(=O)N/N=C1/C(=O)Nc2ccc(Cl)cc21)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	118917011	UKBJVLJEAXCAFE-NYNUFNRXSA-N	570.174	5.519	50	40	KKGB	
CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341703	USCJZVMXZFBXEF-HNNXBMFYSA-N	756.363	11.891	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl	408534101	UVBCITJPEHCJEH-JJKQSNDFSA-N	540.369	6.552	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(OCc3ccccc3)c(OC)c2)cc1	408539572	XQMFQGIGXZBOAD-ONUIUJJFSA-N	627.491	6.948	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1cccc(C(=O)O)c1	408541421	GFELOWTZCABNAE-JMIUGGIZSA-N	502.324	5.144	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1cccc2ccccc12	408552365	SAJYMWBXMQNEQH-NTFVMDSBSA-N	581.453	8.639	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	408580354	OTVUWMJIMGSLGH-VXLYETTFSA-N	514.803	6.771	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408640768	IRQJOQCCFNCCBE-YCAMKHIRSA-N	737.228	6.375	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408649666	YVGXYGKTPOURCK-HNNXBMFYSA-N	637.105	7.627	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)CC3=O)cc2)c1	408665332	RKNGDQLEFYLRNN-OAQYLSRUSA-N	608.489	5.031	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408677629	SWVASASONINDRL-OCSSWDANSA-N	601.339	6.553	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)Cn1cnc2ccccc21	408691641	JUMHTHQRIDXYII-MFOYZWKCSA-N	651.673	7.085	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccc(C)cc3)n2)c1O	408723943	ATKCPHKOSCAEET-UZWMFBFFSA-N	502.574	5.993	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408758450	KDONNOBMYOAERQ-GDNBJRDFSA-N	518.334	5.215	50	40	KKGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I	408759509	GIBDOHACFQWMFD-SDQBBNPISA-N	623.026	5.603	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2Br)cc1	408761522	GGTZTFHLJRSNTI-HNSNBQBZSA-N	629.617	6.909	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1cccc(Br)c1	408767362	ZXCIPELESBFGQV-JAIQZWGSSA-N	552.255	8.034	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408781933	DFHAKOCZFDGLCS-VFLNYLIXSA-N	588.833	5.775	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1	408787785	GFULRTOCWBFNKU-OEAKJJBVSA-N	681.324	7.508	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1ccc(O)cc1	408787851	GYUZLNMFMDTZCT-LZYBPNLTSA-N	667.197	5.634	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(OC(C)C)c3)c2C)ccc1I	408788042	AGQQAUGGHNRQNF-FYJGNVAPSA-N	539.417	6.340	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(I)cc1	408794079	RHTFWPJSVHJKBF-WOJGMQOQSA-N	593.248	7.121	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1	408811702	ROKAWYDFWNRROH-CIAFOILYSA-N	630.866	6.645	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1	408814265	OSYRAGFULMLMIQ-YDZHTSKRSA-N	519.439	6.762	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)c3ccccc3C)o2)cc1	408835277	YFEXKXNERHOZSZ-RDRPBHBLSA-N	501.608	5.051	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccccc2)cc1	408837403	DXAJBZMJIWMNMK-NDZAJKAJSA-N	514.651	5.057	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(I)c1	408841357	IKHZXFWKCYTBTJ-JJKQSNDFSA-N	715.333	7.544	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(C)cc1	408844454	SZFFIWWHBPBXEC-PUHLOBNQSA-N	647.517	7.647	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	408844782	UYKQDMBWABWDSJ-RVDKCFQWSA-N	597.421	7.623	50	40	KKGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408846474	NOTOVORUZIWQKX-MIXAMLLLSA-N	502.412	6.378	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408854561	IIVZXNLBVLQAPZ-KWQVAVEISA-N	677.426	9.264	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Br)cc1	408856170	IXFBTJKPEKPHBI-DBFSUHOCSA-N	698.149	7.304	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(C)cc2)c1	408863190	KWMGPEWIGUIPPL-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(C)c(C)c1	408866002	FUJXZQPEULIUPV-CIAFOILYSA-N	523.402	6.728	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1Cc1cc(C)cc(C)c1	408874562	BUCGHNZXLZCATG-WSDLNYQXSA-N	537.885	7.563	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408881211	KDBPUAGAGPRKOY-XNTDXEJSSA-N	548.360	5.224	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408881341	IXOSLTAEOBCDOU-ALQBTCKLSA-N	626.562	6.625	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408885743	ACMWSSBSLGSFJH-MHWRWJLKSA-N	551.835	6.359	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(C(=O)O)cc1	408890282	QUIBSLLJEYSOJH-RQZCQDPDSA-N	501.753	6.470	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1F	408890591	WCORONYRZKAFKM-VCHYOVAHSA-N	518.894	7.021	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408891340	OWGCJFNRDBOZGV-CCVNUDIWSA-N	556.065	5.819	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1	408894073	IROCCIRWOIPEDX-RQZCQDPDSA-N	572.799	6.153	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)ccc1Br	408904970	RHZPRIWTNJLYBT-BCHBDCPOSA-N	633.111	7.404	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12	408954875	ZXRRURDELCIQFO-JGCGQSQUSA-N	626.710	5.443	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(C#N)cc2)c(OC)c1	408958620	ZNKXVWTXSVKFKH-DLVDTJDKSA-N	755.420	5.391	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OC(C)C	408963593	GWLGBTDXMZNTRE-JNYKASBGSA-N	665.412	6.587	50	40	KKGB	
CCCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408968875	CJFSZNCFEZVJKE-DQBQHLRUSA-N	651.385	6.198	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1C#N	408970905	AJIHHQSNDWUMEU-LWCZHYSHSA-N	738.466	7.250	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2c(Cl)cc(/C=N/NC(=O)Nc3ccccc3)cc2OC)cc1	408971171	NJBDQTYLNQVSAD-NJZRLIGZSA-N	540.060	6.921	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408972133	SMXXGFACYOTHPE-IABBFWQJSA-N	682.435	7.948	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCCOCCOc1cccc(C)c1	408974476	ZMSSDHFAXBZMSN-KOEQRZSOSA-N	535.040	5.745	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408981737	WNOHGKSHRQIJGJ-PGHBFPSBSA-N	500.602	5.701	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1Cl	408983677	NJVPLRIKUFCMPG-IUXPMGMMSA-N	597.667	7.685	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408984871	TYXSUAWQLMHQGI-OCKHKDLRSA-N	526.376	6.733	50	40	KKGB	
CCCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	409014663	NQIFWDOYZXEJNR-FIMQGSNUSA-N	508.446	5.231	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)ccc4OCc4cccc5ccccc45)cc3)cs2)cc1	409033004	KCCPHSOFMMNORT-HASSKWOGSA-N	603.147	9.012	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(C(=O)O)cc1	409038104	USLBXXKFHWGZJP-HQDYHJHZSA-N	610.464	6.714	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)C(=O)Nc1ccccc1	409045159	FLJNDZRCNDATQZ-LICLKQGHSA-N	530.191	6.475	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)cc1	409057533	PSJGASIXEFQRIA-YBFXNURJSA-N	515.418	6.232	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)ccc2C)c1C)S(=O)(=O)c1ccc(Cl)cc1	409118366	PICTUOLFEHJILV-HNSNBQBZSA-N	593.149	6.109	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1ccncc1	409122556	ZMARSCYOCDHHFM-DXJNIWACSA-N	532.585	6.029	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1	409163080	LQHCHNABTZVRBJ-PNQUVVCRSA-N	669.303	5.330	50	40	KKGB	
Cc1cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1Br	409171031	YPYXYWNSGGWUMM-VWJSQJICSA-N	644.364	5.427	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12)c1cccc2ccccc12	409178621	MHCOTBPOMYQHAX-DDILLCMLSA-N	561.641	5.802	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)S(=O)(=O)c1ccc(C)cc1	409185060	RARUKUUJMFUEJA-DPNNOFEESA-N	593.149	6.027	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4cccc(F)c4)c(OC)c3)cc2c1	409187362	PKWLKWMFAIMIJX-NUJZUDFISA-N	588.373	5.927	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1cccc2ccccc12	409220575	BRIOUIWXXWOUFB-UHBFCERESA-N	568.386	5.864	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)cc1C	409257930	UUYPQAPZDUQWPQ-NVJOKUIPSA-N	593.703	6.263	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1C	409266177	PBGHBUHIHKOPQT-KBYBVTDASA-N	510.421	5.692	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	409268505	UTPOVBFEEQRUJQ-YBEGLDIGSA-N	555.772	5.574	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1OCC	409312039	JLTKGGHKVCTHLG-YKQZZPSBSA-N	666.534	5.717	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)ccc1OCc1ccccc1	409326219	IKDQCJJIUDMVNX-MZFJOGFUSA-N	524.573	5.705	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccc(Br)cc1	409371239	DJFYKULGYDNDKQ-YVLHZVERSA-N	517.192	7.002	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)C2CCCCC2)c(C)c1	409372839	OFWIUXCJYRRSNL-RGXNXFOYSA-N	547.721	5.665	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3OC)c(OC)c2)ccc1OCc1ccccc1	409377704	JAGHAZMUNPALTN-KMUKQRDJSA-N	618.086	6.116	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409384353	BLXPSUCEMMDDAO-PPDIBHTLSA-N	540.439	6.005	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1	409386680	RFJVJVGENUHVIK-OKCVXOCRSA-N	504.571	6.730	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc2ccccc2c1	409392993	OOFLDPZVPHAMNM-CFRMEGHHSA-N	502.383	7.783	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)cc1	409394644	DEMBJAHNJYQAGI-UHFFFAOYSA-N	750.658	9.312	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409395175	KQQGXBNMJTVFAH-UHFFFAOYSA-N	730.638	8.759	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)[nH]c12	409395663	QLGHZONTVJXYII-UHFFFAOYSA-N	507.977	6.780	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)cc2OCC)cc1OCC	409396488	STRBBXDGOKCQFN-UHFFFAOYSA-N	626.109	7.668	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397015	FAEZNHUJPJLKAF-UHFFFAOYSA-N	611.054	7.341	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)c(-c3ccccc3Cl)c2c1	409397083	FZSQYXOWTKVSPI-UHFFFAOYSA-N	552.030	7.179	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(F)cc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409397607	LUQCUNLTSHJKKD-UHFFFAOYSA-N	630.028	6.553	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409398394	SSFJEOGWMWVJJQ-UHFFFAOYSA-N	503.558	6.135	50	40	KKGB	
COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1cccc(C(=O)O)c1	409401223	GZHVGMSDOIVENT-UHFFFAOYSA-N	628.081	6.969	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccn3-c3cccc(Br)c3)o2)cc1	409409868	RMFOXGFRGIZZJO-MNBJERMJSA-N	557.448	6.583	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	1529546725	GXEHJQGOHOEFFM-KFQVNIIDSA-N	601.773	5.277	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1	1529546834	HVFHNYGFAISZPX-MKEMXLLOSA-N	797.897	6.171	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2-c2ccc(Cl)cc2)cc1	1752655	RGTFYPSBXBSGFH-UVHMKAGCSA-N	541.420	5.700	50	40	KKGB	
CCn1c(SCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)nnc1-c1ccc(C(C)(C)C)cc1	1783857	WJJJEIGTXJTHKM-ZCTHSVRISA-N	527.694	6.084	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)n2-c2ccc(Cl)cc2)cc1	1834862	VCXSXRCOPMYSTI-VULFUBBASA-N	506.975	5.047	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1	2372702	PUUARZGUCWRNGH-SAPNQHFASA-N	531.366	5.112	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C1CCN(Cc2ccc(Cl)cc2)CC1	8780779	DSIDQRXOADMQEF-MZJWZYIUSA-N	501.370	5.524	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(Cl)c(Cl)c1	13552887	RNMGIBKDFOFJNN-FDVSRXAVSA-N	517.869	6.677	50	40	KKGB	
O=C(N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)[C@@H]1COc2cc3ccccc3cc2O1	13757028	KXJJRQOBKDMLJO-CNIOWBRYSA-N	513.553	5.200	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1	97947196	STAQWYPHOIHCHM-KXKJEIKKSA-N	542.614	7.042	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	97950428	FGJUTBTXVAYQKV-HKBQPEDESA-N	544.680	6.855	50	40	KKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c(C(C)(C)CC)c1	97980828	ULIKPGJEVZMQBO-UXHLAJHPSA-N	547.534	6.848	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccccc1	100123069	HRNMYHIWATVDEP-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)cc1	100127886	CZEXVRBJVDKVGS-NDZAJKAJSA-N	530.650	5.111	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	100217357	RIVCWCODZRCFQP-BWAHOGKJSA-N	555.656	5.842	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1	100287683	UKFXFAJFPZWFSY-KPGMTVGESA-N	619.958	6.409	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1	100991317	XJSXGDGPFBMSLS-AEPTXUNZSA-N	563.293	7.365	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCCN2C(=O)c3ccccc3C2=O)=C(C#N)[C@H]1c1ccccc1Cl	102808538	POVJNFFVVQJZGE-RUZDIDTESA-N	570.070	5.766	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(/N=C\C=C\c1ccccc1)c1nnc(-c2ccccc2)c(-c2ccccc2)n1	104289996	CMZPQMALKOQRAD-ZLAFWHFASA-N	571.553	6.368	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1	150349620	KXZQVDDJXFTAGM-FPQJKWOGSA-N	692.479	5.050	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	150440790	ODRJEGXVEFYEFT-XAZZYMPDSA-N	787.177	6.795	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	150490642	DDLVPTIUFBPHQV-ATZGPIRCSA-N	642.565	5.714	50	40	KKGB	
CC(C)OP(=O)(OC(C)C)[C@@H](C)NC(=O)[C@@H](CSSC[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)P(=O)(OC(C)C)OC(C)C)NC(=O)C(F)(F)F	150509139	MATHCOUFSUCJHW-JVSBHGNQSA-N	814.742	5.473	50	40	KKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C[C@H]([C@@H]3ON=C(c4ccccc4Cl)[C@@H]23)[C@H]1P(=O)(c1ccccc1)c1ccccc1	169811328	YMVIZMMZCSLVDC-PGKXSUNBSA-N	648.079	7.474	50	40	KKGB	
CC(=O)OC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2	299817379	ABUHPHDFZWIMHE-MFJBDISKSA-N	540.785	7.810	50	40	KKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	408535561	YVHUGNYKQMVQRM-AABVJFSESA-N	500.524	6.424	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408541278	YUYMBYRVOVFMKT-JVWAILMASA-N	583.084	7.759	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)c3ccccc32)c1	408542576	MGOFYMCKHSOBDA-DBFSUHOCSA-N	510.377	5.312	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551811	MPZXNCUZMNQRAF-MHWRWJLKSA-N	514.340	5.704	50	40	KKGB	
N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408551813	MQCWHLAWQVZPNL-SXGWCWSVSA-N	511.321	5.465	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccc(C)cc1	408567472	FDOYXAMLUZUVSZ-GRSHGNNSSA-N	506.375	6.815	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCc1cccc(F)c1	408579213	DSSJTHTVAMIYII-VXLYETTFSA-N	533.768	7.126	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(Br)cc1	408599583	WUPFCNDTEDRVFX-YBFXNURJSA-N	632.321	7.564	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408668271	DDAZNHCUTVKQBW-ODAXIHTASA-N	584.393	6.972	50	40	KKGB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408683468	LHUOWORENTXIAF-XVMGYKCHSA-N	646.119	5.237	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1ccccc1Br	408711668	DRKRFWKGKXFFNT-FSJBWODESA-N	522.184	5.225	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	408724819	BGXSKJZKZNCZIW-MWLSYYOVSA-N	542.444	5.984	50	40	KKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	408726009	OMRIIKDPTGMTLQ-DXELLOQRSA-N	683.155	7.058	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)cc1	408745102	PJBGJKBDWBIITM-NDENLUEZSA-N	525.830	6.934	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2)c(I)c1	408745621	UJERFTWVXBHINM-ODLFYWEKSA-N	620.228	6.329	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)ccc1I	408748019	XCSRFLOXWZWIQM-FJEPWZHXSA-N	600.840	6.458	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2Br)cc1	408756947	UWIMLKTYZNQCIF-RWPZCVJISA-N	602.304	6.205	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(Br)ccc1OCc1ccccc1	408761116	HZEJESGLTSYCHQ-KBVAKVRCSA-N	540.417	5.647	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OCc1cccc2ccccc12	408764086	IIYFJFMLQFLLCV-IVYIFMIMSA-N	573.715	5.579	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	408766728	FOMXYIVFDMSLMK-LQKURTRISA-N	514.047	5.126	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1	408767457	XUWOPGFLXRURHJ-DHRITJCHSA-N	532.188	5.203	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408777904	LLZAPHNXHCVZCN-MFOYZWKCSA-N	614.352	6.071	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408785442	YZLVPOSYZKQACD-IWIPYMOSSA-N	562.305	8.262	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2I)c1	408788937	NERDWXQOUMZHRA-DJKKODMXSA-N	621.700	7.449	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408792338	ANGKONCPRVEAQA-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc2ccccc2c1	408792561	KVPCLBOWVHGFCI-WSDLNYQXSA-N	503.385	7.280	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I	408793100	DAZRTGUKANJAGV-XDHOZWIPSA-N	650.254	6.419	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(C(=O)O)cc1	408795166	URYJVQURCVDPRA-WSDLNYQXSA-N	549.421	6.288	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408797709	SQCCRKMQRACPGU-CXUHLZMHSA-N	520.185	7.020	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I	408797898	TVPVCWFAQYAMRA-MDWZMJQESA-N	590.586	5.660	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1cccc(Cl)c1	408804388	FHZWFXPLSFKXBY-KEBDBYFISA-N	572.830	6.695	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408808315	FRSGNAYVIBJOAU-QJOVZPHJSA-N	584.503	8.111	50	40	KKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1Cl	408816976	KKVNKVRCHSYWQQ-JLHYYAGUSA-N	538.309	7.071	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1	408819166	YJZBPIJGOFQLOB-RHLNUJDMSA-N	617.281	6.426	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4)cc3)cc2Cl)cc1	408825856	JUAUILFIFXHJMN-PCLIKHOPSA-N	543.450	8.006	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	408829667	KJBXYSIRHKETMT-MWBNBJEGSA-N	721.457	7.088	50	40	KKGB	
Cc1c(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	408830542	SEEGKKNBTVQVRY-RQXXSLPSSA-N	659.768	5.562	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c2cccc(C(F)(F)F)c2)cc1	408831396	VKRVFHNIUSRHIW-HCRPQLPOSA-N	652.695	5.616	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408834012	SPRFYEKJXDTJCK-HZHRSRAPSA-N	652.770	8.569	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(I)c1OCc1ccc(C)cc1	408835493	XETPJYAQGQPNNZ-WGOQTCKBSA-N	678.954	8.355	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408836495	RTZFOIKMURZMST-LGUFXXKBSA-N	590.035	8.105	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)Cc3ccccc3)cc2)c1	408838379	DXJUFMITYZFRDH-BIZUNTBRSA-N	570.443	5.922	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408840919	DPRFBPBDWBTHPO-IZYHBKOJSA-N	615.130	8.396	50	40	KKGB	
COCCNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408855748	HAPYBMRAZPQYDX-AQTBWJFISA-N	582.893	5.300	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1cccc(F)c1	408857818	QBRACWBMMXDTAX-NBCFERAOSA-N	553.059	5.094	50	40	KKGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCc1ccc(Cl)cc1	408859084	SNTLJVLNDUEGQI-STZFKDTASA-N	649.383	7.508	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	408861512	SEKGIQOWXVGOQZ-DPNNOFEESA-N	701.437	6.453	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1Cc1ccccc1Cl	408877804	YQQXFYUJYCRQRE-LICLKQGHSA-N	563.222	6.743	50	40	KKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	408884414	XSEIUTQQTXMBFA-OCSSWDANSA-N	566.293	7.027	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OCc1ccc(Cl)cc1Cl	408886141	DRSOLEOWIZDHFX-GIDUJCDVSA-N	567.212	7.342	50	40	KKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	408891033	KDVNIZHNIPPUCF-WKULSOCRSA-N	537.797	6.004	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2F)c(OC)c1	408897564	YFHBIDJKOHZJPD-UDWIEESQSA-N	556.375	6.126	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	408899196	NYDAEJZGTOEFPV-LICLKQGHSA-N	508.874	5.290	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408963896	BDIYMWVJYDDQGD-VVEOGCPPSA-N	519.907	5.457	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408970478	AAFDKJSPXLYPGI-OBLCTLJESA-N	768.319	8.295	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc3ccccc3C)cc2Br)cc1	408972173	TWVKOPJKDCLIFI-ZZEVNCIZSA-N	580.523	5.705	50	40	KKGB	
O=C(N/N=C/c1cccc(Br)c1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	408974293	YPFMCSPIUWWJHO-VMBKIOOXSA-N	508.441	5.030	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccc(Br)cc1	408977051	CNPAOXCOYZMYLZ-IADOGKPESA-N	636.568	5.905	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1cc2cc(Br)cc(I)c2o1	409020320	NXPDCZCITPBRQK-IPBVOBEMSA-N	779.992	7.510	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409026981	MNIAMSLIWCIDHW-HPNXWYHWSA-N	665.168	5.744	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1cccc(C)c1	409032670	MGYRVSMGCHQFCX-FZKWRIDDSA-N	536.031	7.215	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409036323	QZHVBLQKFPMWHC-MHDJOFBISA-N	618.502	8.112	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409037072	XJQMKWJZEHVXGD-FABQOPTDSA-N	672.561	7.966	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	409051503	APXNDNUQEYHCGW-XODNFHPESA-N	580.704	6.915	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409074739	REQIJTOUMFLEJO-KOEQRZSOSA-N	526.589	6.035	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409088314	WSZZCBDEVNXCON-DEDYPNTBSA-N	537.494	6.997	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409115741	GZBCUPHXMYFWAQ-ZKZIKLGPSA-N	633.170	5.559	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(=O)(=O)c1ccc(Cl)cc1	409129906	HPMUFPHSWXJCHY-HNSNBQBZSA-N	593.149	6.109	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)o2)cc1	409141647	ILIICGPBFKASQR-VTNSRFBWSA-N	655.085	5.348	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Br)c(C)c3)c(OC)c2)cc1	409170891	XTRQWBIMCIHPIV-KPGMTVGESA-N	737.389	5.656	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	409177320	DMWAUOMIIAGLDW-FXDIDQDQSA-N	607.022	5.223	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1OCC	409219352	LNVWFZAQXDOCGF-MNBJERMJSA-N	576.606	5.360	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	409222043	BLFCITNHVWMWTI-HAHDFKILSA-N	509.433	6.627	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)ccc1OC(=O)/C=C/c1ccccc1	409226144	SIBPASWXOFKHLC-IQPFXWIOSA-N	563.610	5.729	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409227280	YVUPHRYXDTZQEZ-UHFFFAOYSA-N	620.445	6.356	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409227992	YVBLCHLBMUGOMV-NIRRRFKBSA-N	582.056	6.682	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccccc1	409236876	HQRXQGZJKHKFPX-PKIWBCANSA-N	534.410	5.260	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2C#N)c(I)c1)c1ccccc1	409237134	JJKRDCCZYXAYGO-SXOHWRJOSA-N	659.265	6.131	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1	409249929	JWMKHNONWYXZPC-ZRGSRPPYSA-N	590.228	5.210	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)ccc1OCc1ccccc1	409251628	QACAEHHAEFNEKT-WBIBEUCMSA-N	660.565	6.834	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c1	409259681	CLFNJJIFWVUDEF-YBFXNURJSA-N	538.829	6.283	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409262027	BYJBLGOLAYQZNQ-ODQASSKESA-N	753.904	8.822	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Br)c1C	409262215	GARHRIDVDJPJOX-NVJOKUIPSA-N	593.703	6.263	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)c1C	409264865	GQIRRTFIRJIOOH-VCHYOVAHSA-N	510.377	5.879	50	40	KKGB	
Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2)c1C	409266000	IZYXAZHZNKNEKG-MWBNBJEGSA-N	610.139	7.605	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1OCC	409304200	QJMHJINBDZKJAG-MWLSYYOVSA-N	553.409	5.454	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409305725	WYAQOPWPWZTVIH-UXHICEINSA-N	603.311	5.809	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OC	409310540	ATAZTBFTUGKZOU-MWLSYYOVSA-N	509.990	5.227	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1OC	409311084	YCTPACAVTOQHMG-UHBFCERESA-N	531.436	6.532	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)ccc1OC	409314133	DVYILXZIPUFWGJ-UHBFCERESA-N	631.467	5.187	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409316441	XSVCYZLBVYEBLU-YNFMAFFXSA-N	612.355	6.348	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)ccc1OCc1ccccc1	409319001	ZPILGRILDJXBRA-HQDYHJHZSA-N	579.480	7.323	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1	409363145	JVKQVUIFDYBBQM-LFIBNONCSA-N	512.310	5.290	50	40	KKGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409369804	YMBZIRLPUMLANZ-NUJZUDFISA-N	532.493	5.568	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1	409371491	JEGJBJJJIOAGPC-QDTIIGTASA-N	615.333	5.114	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409374682	WOFCONHTZZAEQK-IUXPMGMMSA-N	590.248	7.435	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OCc1ccccc1Cl	409380715	BPBQWGDLZURTAS-VXLYETTFSA-N	561.807	5.983	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(Br)c2)ccc1OCc1ccccc1	409384645	DTGRFBZOTZDYCP-FZKWRIDDSA-N	632.511	6.217	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(C)=O	409396045	VRDUDCIUISVHIC-UHFFFAOYSA-N	720.960	7.185	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397279	IGSSEKGANLPLNO-UHFFFAOYSA-N	574.036	7.633	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409397955	PTLAXLAFHAAWBJ-UHFFFAOYSA-N	660.908	7.168	50	40	KKGB	
C=CCOc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	409405768	VCQFQPXTQFHFPJ-UHFFFAOYSA-N	578.463	6.366	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	2741934	JIYUZHVTDAMOMN-DXRBVMPTSA-N	525.465	5.817	50	40	KKGB	
Cc1cc(Br)c(OCC(=O)N/N=C/c2c(O)c(Br)cc3ccccc23)c(Br)c1	3115983	MKCOXTBGZZFCQV-PGGKNCGUSA-N	571.063	5.670	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1	6015248	JQJVFLKJFAUYJI-HHHXNRCGSA-N	510.619	5.402	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccc(C)c(C)c2)cc1	16309384	XMUZDZMYTRYABK-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
CC(C)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC3=C2C(=O)CCC3)cc1	20347734	RPHRESWXNNCONF-VWLOTQADSA-N	525.596	6.630	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(C)cc1	35073991	LMPCYUDVXPTLOP-GIJQJNRQSA-N	512.349	6.343	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	36235279	UWXCRNPVLWKRDU-ONCSSFPYSA-N	513.553	5.643	50	40	KKGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(N(CC)Cc4ccccc4)cc3)cc2)cc1	97980758	BCWSFBFSDUYBOS-WEMUVCOSSA-N	556.688	5.677	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1[P@@](=Nc1ccc([N+](=O)[O-])cc1Br)(c1ccccc1)N1CCCCCC1	97984755	OVOQDJBUANCYSQ-KXQOOQHDSA-N	592.478	7.435	50	40	KKGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	98001739	ISJALEUWRUMITD-ORBVJSQLSA-N	724.425	7.138	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1	100129140	YNEZRGHCVSAOOZ-YKQZZPSBSA-N	579.520	5.198	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	100129623	DPTLRSDEQPQPHF-FDVSRXAVSA-N	559.475	5.335	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	100130151	KPEHDCBUIWNSOU-MZFJOGFUSA-N	583.541	5.785	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)NCc1ccccc1	100193866	CBLRYZUWQRXMIK-VFCFBJKWSA-N	524.580	6.943	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C\c3cc(Br)c(O)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100852112	QQLJNHUMYQXOTI-ACXHZZMFSA-N	624.561	5.960	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1cccc2ccccc12	100852558	UEQOUIMJCCUTJZ-FMFFXOCNSA-N	552.725	6.420	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	103884722	NMRRTKUTNAGSGO-RRAHZORUSA-N	551.643	5.347	50	40	KKGB	
CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341214	JANJXOBWOBVXSV-RXMQYKEDSA-N	716.107	9.260	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Br	150367554	MMYXRLNEOABIHN-LPEPFOFCSA-N	698.810	6.482	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1Cl	408527178	FICSBFNCZZZOEZ-KLPHOBTLSA-N	617.793	6.113	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1	408537429	FAMUGTRCTIHXOE-WPWMEQJKSA-N	597.509	7.778	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC	408539022	DOIGTONDXAVQKD-VQNDASPWSA-N	567.126	7.830	50	40	KKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1OCC	408539744	YLYUGYQVSUOOKD-YKQZZPSBSA-N	528.118	7.674	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)cc2Cl)ccc1OCc1ccccc1	408540142	NOQXUNHVIOIGMU-ADJDCTSUSA-N	617.451	8.333	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408543047	OOZPXGSPXZDZOP-FMCGGJTJSA-N	527.374	6.425	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)NCc1ccccc1	408554312	ROVOJVJSIKAGFK-VCHYOVAHSA-N	514.796	5.888	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCc1ccccc1Cl	408582090	LUJOUSSFNSQKSX-UDWIEESQSA-N	545.804	6.995	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)ccc3OCc3c(F)cccc3Cl)CC2=O)cc1C	408602637	FBVPURJGKRRKMO-KRWDZBQOSA-N	516.400	5.825	50	40	KKGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1OCc1ccccc1Cl	408610412	UEMUBTGWZXVBBZ-KRWDZBQOSA-N	544.833	5.186	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	408643795	PZNARIBBWBMBER-ZRNYENFQSA-N	610.730	5.119	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408644001	QLFKIGBBAZOAQL-RVDAZCDBSA-N	697.610	6.292	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1)Nc1cc(C(F)(F)F)ccc1Cl	408677614	AZPIQWSFZLPFDV-IUOSPEFCSA-N	589.781	5.124	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408677916	VZUCBVANJGFVEI-WCMJOSRZSA-N	591.333	7.098	50	40	KKGB	
O=C(Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@H](Br)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	408685171	QGFHOWMNMXDFDJ-XNMGPUDCSA-N	573.399	6.392	50	40	KKGB	
CCCCCCN(CCCCCC)C(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)N(CCCCCC)CCCCCC)cc2)cc1	408719269	BHZJNTLKNPBQKG-UHFFFAOYSA-N	709.221	10.433	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccccc1	408732680	XHRHIRKOHOWNJL-SEPVPZSASA-N	531.999	5.307	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408746444	SSCQMTUEWXDVOF-NDENLUEZSA-N	507.804	7.925	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	408761714	GXQJUBJJBRAQBB-YBEGLDIGSA-N	566.260	6.378	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1	408762913	NAZPLBSZNIKLLV-RPPGKUMJSA-N	500.363	5.596	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccccc1F	408790242	OFIGEMRTEGSQFS-LICLKQGHSA-N	515.766	6.375	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408790455	WJTBYLYWUXBYMH-LZYBPNLTSA-N	685.643	6.582	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	408792057	HDZVFHNLBHHITE-FSJBWODESA-N	531.837	7.689	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1F	408792276	AJOOKQHUJGYFJI-LZYBPNLTSA-N	597.211	6.870	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408797786	SZISSVJFVXCHEF-WOJGMQOQSA-N	560.231	6.667	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2ccc(Br)cc2)c1	408798372	HYXLWKIGVDWNHF-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(I)c2)cc1	408809676	IGRSRKMCCLOXOQ-OJYCWLPVSA-N	737.379	8.005	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1	408817259	VNRXBWZPDAQMPC-JMIUGGIZSA-N	599.381	5.019	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(C)(=O)=O)cc1	408824973	CKWYMPKZCZSHJL-AMVVHIIESA-N	659.386	5.659	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)Nc1ccccc1	408826689	IVUVMYJYQROQMA-XBQJKBNESA-N	618.715	5.864	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccccc1	408829609	KFJDIJUQBZMCML-AJBULDERSA-N	528.678	5.311	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)cc2)c(OC)cc1Cl	408833514	RRSQLMGICKLGRM-VXLYETTFSA-N	541.829	6.553	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(/C#N)C(=O)NCC(C)C)o2)cc1	408835351	WPSRSQTTXBYISL-BKUYFWCQSA-N	560.503	5.965	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCc1cccc(C)c1	408839201	OQYHMHAWAITVAO-XJECJHNESA-N	662.009	8.630	50	40	KKGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408841247	DUADDGIXLHJKKC-UHFFFAOYSA-N	542.842	5.953	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408850348	LWSAPVNCWZNGAQ-NVJOKUIPSA-N	503.769	6.745	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408861895	VKFKBEBSYBJOMI-SGFUPKQXSA-N	552.227	6.646	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1Cc1ccccc1F	408875158	DMNJBARLRGADFU-RGVLZGJSSA-N	540.376	6.192	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408885942	BUGLGQUTWKTPOF-LFIBNONCSA-N	526.730	5.776	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(I)c1OCc1cccc2ccccc12	408923986	MOIRISZHCWOYMN-XESRJCMYSA-N	778.600	5.761	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(Br)c1	408926868	YVIHJYQEMIXDJR-GZTJUZNOSA-N	531.223	6.612	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2cccc(C)c2)c(OCC)c1	408940171	BXABTMIHJLPMHI-SSEXGKCCSA-N	742.636	5.462	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408941649	FASFAWBRQOHUDN-MUUNZHRXSA-N	657.576	5.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408943741	IEACYYRXVFOGKI-NDEPHWFRSA-N	783.472	6.071	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccc(I)cc1	408965026	FMIUYCONSFXREB-VFLNYLIXSA-N	669.232	5.648	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccc(F)cc1	408967361	QDFFZJAKPMAYDF-VFLNYLIXSA-N	561.326	5.183	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(O)c(I)c1	408986553	MYGMVBZFAJTRMR-WZUFQYTHSA-N	517.548	5.267	50	40	KKGB	
N#CC(C#N)=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	408992030	QBQRDMGVWNMUBC-ROUUACIJSA-N	515.576	5.466	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409006681	KAWSASXERUDAOO-OHLKXVFMSA-N	796.311	6.258	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1	409013988	LLJDRKMUYDBWGN-VJDUYNTGSA-N	593.555	6.753	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)cc1C	409024156	AILKUUQCMXVDGG-IOQCEILHSA-N	558.704	5.808	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Br)c1	409030398	DFLUGVCVKPNVOP-APTWKGOFSA-N	550.456	7.316	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OCc1ccccc1Cl	409039749	RZJOBTHWEKKPQH-IDWIKUEFSA-N	562.069	7.635	50	40	KKGB	
C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1	409049674	XRQQVQNQJGSWFZ-OQLLNIDSSA-N	520.177	5.109	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	409084818	WEDMWYWCLNYIOP-YSURURNPSA-N	514.150	5.420	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	409110674	XROFNTDICFGXSI-KEIPNQJHSA-N	675.548	6.369	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCc1ccc(Cl)cc1Cl	409122598	ADFGWUYYJLBCAU-QFIPXVFZSA-N	610.279	5.916	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(I)c(OCc2ccc(F)cc2)c(I)c1	409131453	XYSLKUXMBRAQIR-FQEVSTJZSA-N	642.206	5.429	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(F)cc1	409146994	UGZMIOUTIRRBJW-HSZRJFAPSA-N	526.406	5.296	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OCC)c2)cc1	409167125	GWFGFQKVSGKTBI-FABQOPTDSA-N	653.574	6.058	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccccc1Cl	409253271	WQDIUYAASSEJNX-NDENLUEZSA-N	629.882	6.523	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1	409269228	HITBEZFBMKCCNY-PPDIBHTLSA-N	604.255	5.518	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409271460	LFSFLNUWTXTEDK-KOKCXWAISA-N	745.643	7.955	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)ccc1OCc1ccccc1	409304566	SAMKFYIZLVGGQT-OHUYPAJKSA-N	603.469	6.468	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1OCC	409315094	HTCKULPQTFVWCE-NUJZUDFISA-N	594.275	6.491	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409364184	NIXPZTNXWNECBO-VPUKRXIYSA-N	571.686	6.559	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1	409373077	LBKYMTXRVAKWKR-RWPZCVJISA-N	581.366	5.704	50	40	KKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	409382824	RLINKVSDHBFYIY-IDUWFGFVSA-N	692.122	6.877	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(I)cc1	409392379	LUFISAVFKPOGIN-NVMNQCDNSA-N	564.192	6.845	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)c1	409394849	GRBDUXXBYZJRMC-UHFFFAOYSA-N	566.455	7.197	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(C)cc4c3-c3ccccc3)cc2OCC)cc1OCC	409396492	SUVJZSZSCRTHJQ-UHFFFAOYSA-N	605.691	7.323	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl	409396656	ZTUFYECZSPTGRS-UHFFFAOYSA-N	842.109	9.263	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409399193	YHMNWKPICQBYLX-UHFFFAOYSA-N	620.862	7.382	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCc3cccc(C(=O)O)c3)o2)cc1	409402785	KZEVGEGHNSFIDI-HQDYHJHZSA-N	608.607	6.215	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(Cl)cc1	1531387175	NMTRQOVILSVRJR-OCSSWDANSA-N	524.920	5.727	50	40	KKGB	
CC1=C(C/C=C(C)/C=N/NC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)C(C)(C)CCC1	2204085	GZRRNLWDNYSUMM-NOZHJUCJSA-N	518.499	8.176	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)ccc1O	2338384	RWVCXUZFLNIAPX-STBIYBPSSA-N	515.639	5.188	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)ccc1OCc1ccccc1	3275361	WOLKJKMHJVXFDJ-JEPNHJGPSA-N	541.607	6.352	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc(Br)c1OCc1ccccc1Cl	3584930	KJNMKMDIULORAW-IPPBACCNSA-N	539.813	6.313	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	11852443	BPJRINLDYRQLGQ-JFLMPSFJSA-N	544.632	7.761	50	40	KKGB	
COc1ccc2c(c1)c(CC(=O)Nc1ccc(C=C(C#N)C#N)cc1)c(C)n2C(=O)c1ccc(Cl)cc1	12492577	BEBONCHLGKREQK-UHFFFAOYSA-N	508.965	5.912	50	40	KKGB	
CCOc1ccc(Oc2c(/C=N/NC(=O)COc3ccc(C(C)(C)C)cc3)c(C)nn2-c2ccccc2)cc1	12623369	GLAKFUSFXBBZKR-UZWMFBFFSA-N	526.637	6.198	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(Br)cc1	13941003	URNJJNNKLJUHTI-HMAPJEAMSA-N	507.504	5.534	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3cccc(Cl)c3)c2C)cc1	20243662	AJQWXOPIDDTZCY-RPPGKUMJSA-N	504.881	6.202	50	40	KKGB	
CC(C)(C)c1cc([C@H](N2CCCCC2)P(=O)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O	33353174	PXIIRNWYAAHEAB-SSEXGKCCSA-N	503.667	7.486	50	40	KKGB	
O=C(CSc1nc(-c2ccccc2)nc(O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	33354660	JNDYCXZSIDUWGV-UHFFFAOYSA-O	583.673	6.444	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	59101598	DZLYGBMZQHBQGB-XKJRVUDJSA-N	510.299	5.680	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br	59483848	XMAMPKBNCKBWCR-BHGWPJFGSA-N	517.207	5.032	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(Br)cc1OCc1ccccc1C#N	59534301	GPUATSFGHSPCGO-DJKKODMXSA-N	508.397	5.193	50	40	KKGB	
N#CC(C#N)=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1cc(-c2ccccc2)c(N2CCOCC2)s1	59608423	QRKXTYVZIYSGEG-UHFFFAOYSA-N	564.736	6.666	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1cc(Cl)ccc1O)/N=N/c1cccc(Cl)c1	73333170	SUNYWTVNZMNDGK-WDDBZUGQSA-N	548.434	6.517	50	40	KKGB	
Cc1nc(SCC2=C(C(=O)OC(C)C)[C@@H](c3ccccc3I)C(C#N)=C(N)O2)c(C#N)c(C)c1C	97940196	PSAQLMPQSVINEN-QFIPXVFZSA-N	600.482	5.289	50	40	KKGB	
CCCCN1C(=O)/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C2/C(=O)N(CCCC)c3ccccc32)c2ccccc21	97965372	NNDRYBQQJXJGIF-CBSZVXRSSA-N	600.764	5.442	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1COc1ccc(C(C)C)cc1	97965831	JGYBBLPGYCACEB-LPYMAVHISA-N	542.661	5.887	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(N)=C(C#N)[C@H]2c1cccnc1	98006089	FCIKWJDBBNTUIF-OAQYLSRUSA-N	535.098	5.820	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(n1cccc1)=C(C#N)[C@]21C(=O)N(Cc2ccc(F)cc2)c2ccccc21	98008236	PEGHGPRCYUFLGS-BHVANESWSA-N	586.642	7.107	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	98045847	ZXMORDVBLYYOFW-NSKAYECMSA-N	614.751	5.203	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100225424	WFMUIUMDHOQSFE-NDZAJKAJSA-N	556.531	5.080	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1Cl	101305424	YWVUDZWZULUXOR-RUZDIDTESA-N	564.494	6.762	50	40	KKGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	105420820	IEIBYPJUYURLCP-UHFFFAOYSA-N	548.547	6.421	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	118933555	FTMKSVKJLVFTLW-QOLWHSHMSA-N	564.918	9.606	50	40	KKGB	
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3ccc(CN4C(=O)c5cccc6cccc4c56)cc3)ccc2C)cc1Cl	150451575	RLPPIMZBRJVWIL-UHFFFAOYSA-N	685.158	5.855	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3OC)cc2)ccc1OC(=O)c1ccc(C)cc1	150463915	BLSOTOQVLKILDI-DBMXBCQFSA-N	678.742	5.920	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c(C(=O)OCC)c1C	150625531	TWKFADUPTIZHMB-CIAFOILYSA-N	630.546	7.413	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795499	VAIKOVMVYSDELJ-SZPZYZBQSA-N	898.424	14.061	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	229851108	WBPSLDSHGDXHBE-RSEYPYQYSA-N	525.970	6.240	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c(C)n1-c1ccc(Cl)cc1Cl	408587040	DRKOZUOIXUKHJP-KBKYJPHKSA-N	541.220	5.568	50	40	KKGB	
CC(C)Oc1c(I)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1I	408599253	QWYAPFRDRVRTCM-WYMPLXKRSA-N	584.195	5.600	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1	408742623	WXEBUSLFRGQLOP-PPOKSSTKSA-N	558.594	6.660	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408746944	IGSFEPBPCNIWAE-KYHGBAKBSA-N	673.199	6.939	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)ccc1I	408748004	WYLOGFVBUDQARY-LUOAPIJWSA-N	756.091	5.991	50	40	KKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1cccc(I)c1	408755247	NAUHCNBPFMTNSX-FOWTUZBSSA-N	573.184	5.819	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(I)cc3)cc2Br)cc1	408758563	MSPNIBICKMHDKS-YBEGLDIGSA-N	702.162	6.438	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408761217	CZZVMTZRNPFUCL-LICLKQGHSA-N	700.292	5.526	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408764530	XGVQCDOURNFCON-LDADJPATSA-N	527.396	5.080	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408765712	XJFIIRBSJDIBSH-XDHOZWIPSA-N	588.423	5.230	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1cccc2ccccc12	408788270	BVSLBXYPXFDHMH-ZTKZIYFRSA-N	540.619	7.552	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc2ccccc12	408791056	VIYLQSRFFJPRHK-ITYLOYPMSA-N	629.498	6.288	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408791406	XFARTIBGYIDPAW-KEBDBYFISA-N	574.302	7.896	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1ccccc1	408793850	QKJLXNSTHKAGKN-DEDYPNTBSA-N	507.384	5.981	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408795772	MMRBUZRQCQFDRM-REZTVBANSA-N	699.670	6.891	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408818753	YURGTIHAVXVUGB-JMIUGGIZSA-N	590.301	6.966	50	40	KKGB	
O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)c1ccc(F)cc1	408821937	AOEFBUUPMCXNEJ-MUFRIFMGSA-N	525.989	5.227	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408824545	QWQVPJPSWOCBAR-LPYMAVHISA-N	598.313	9.004	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408830206	OQASWLYDUFGDAV-FDALDRLYSA-N	725.676	6.319	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408836685	UHQLTQWGXNSONQ-XSFVSMFZSA-N	566.249	6.348	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408838735	HRDVFDNJCMWBKL-MUFRIFMGSA-N	521.042	6.768	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NNC(=O)c4sc5cc(Br)ccc5c4Cl)cc3)sc2c1	408838858	JIMWXAOQFQPSIY-UHFFFAOYSA-N	633.376	7.821	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)c2C)cc1	408838886	JTCMMKBOFDHDIU-ALQBTCKLSA-N	577.710	7.210	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408839434	SDULCRLQGUPZKA-IZYHBKOJSA-N	641.149	7.955	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408840506	BRJXCUDJFHHBBC-KULFSUQXSA-N	652.003	9.256	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)cc1	408842581	AUKYKJAZHADROU-MUXKCCDJSA-N	574.802	6.432	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C)c1OCc1ccc(F)cc1	408846279	MKNNLHOQMOTJBU-YNFMAFFXSA-N	503.452	5.641	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OS(=O)(=O)c1ccccc1	408886317	GCHFNLOULJCDMR-QGOAFFKASA-N	620.319	6.232	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)c1ccc(Cl)cc1Cl	408889996	MHOGXZPVDXZLSB-IPPBACCNSA-N	542.216	6.892	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2Br)cc1	408924883	PFVPEYLCJKSCDY-XNTDXEJSSA-N	592.811	5.333	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1F	408925869	UNUIFIVQMWZSER-XODNFHPESA-N	574.497	6.418	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)c(Br)c1	408950273	RVTNPKFXLNCEQW-LJAQVGFWSA-N	651.583	5.222	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c(OC)c1	408950965	HWPSFUQXMBBKAK-PDQWDMBESA-N	764.855	6.173	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1c(C)cc(C)cc1C	408980267	QEIBFYSJQLCUAC-SXFMDCDQSA-N	613.780	6.458	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	408980426	QVVLYMQXPOFWGI-BULNNFJJSA-N	516.395	5.721	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c2ccccc2)cc1	408981204	VGJCHALKIGSCFT-BZCOGROQSA-N	624.532	6.036	50	40	KKGB	
CNC(=O)/C(C#N)=C\c1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1Br	408993081	CAULJARZVIRIPA-SDQBBNPISA-N	549.046	5.759	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC	409012567	KIZFRGUCUMSCEZ-SIBBHDSESA-N	713.743	6.875	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@@H]23)c1	409042959	LXAGOJIVXUUDSP-FXDIDQDQSA-N	607.022	5.223	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)c1	409054459	GGSFABYXYOMXLQ-VCHYOVAHSA-N	544.218	6.784	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409065712	IYJLAPPDUSQHAH-VCHYOVAHSA-N	525.330	5.420	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)c1C	409071320	NRDODTMZLXTYSL-CPNJWEJPSA-N	511.397	5.379	50	40	KKGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)CC1	409113622	HZUVHGYLTJJTQZ-UHFFFAOYSA-N	567.493	5.195	50	40	KKGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409150483	BZEYZRVOWVEJGS-XKJRVUDJSA-N	552.798	5.031	50	40	KKGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1ccccc1C(F)(F)F	409169952	TVTPIJISBAQIBE-PNQUVVCRSA-N	553.324	5.119	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1OC	409184019	HUHMMAIBEJBFEC-WKULSOCRSA-N	627.344	5.675	50	40	KKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	409218761	KKXUSFWVIGRCJO-FXMZOFOKSA-N	526.254	5.904	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	409223171	FJBCXQDEBKMCPS-KWJVIYIFSA-N	596.086	6.389	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl	409258470	XRSNXIWWXWQSAC-YVLHZVERSA-N	559.247	6.628	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1	409261358	AQTDGFHUTWZJHM-WQRHYEAKSA-N	510.377	5.874	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)c(C)c1	409272653	RHGSZXJYBDLUQX-WKIKZPBSSA-N	514.807	5.501	50	40	KKGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1cccc(Br)c1	409327166	QMLFFNAMVKIGSB-MSOLQXFVSA-N	526.239	5.427	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	409381087	RPNXOXJGGKXGRG-DHDCSXOGSA-N	518.759	6.349	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409386794	RZQGAUMHRZXOFG-UVHMKAGCSA-N	599.419	6.222	50	40	KKGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)c3ccccc32)o1	409390293	DVYMHJAXDSPGEA-NSKAYECMSA-N	575.213	5.064	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccc(Br)cc1	409394745	FIBVWEAKDYGVAO-UHFFFAOYSA-N	822.089	8.710	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)c1	409395040	JEDYOYBAOYIFOJ-UHFFFAOYSA-N	661.350	7.660	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409396730	ANBZHVPIZUHXHW-UHFFFAOYSA-N	538.003	6.870	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397127	GOFCEYIXJCVOCR-UHFFFAOYSA-N	613.424	6.497	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OC(C)=O	409400135	BOSXCDMBDDHBET-MNDYBZJGSA-N	627.435	5.569	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409400152	BRIOQRBRMYJLMK-WBIBEUCMSA-N	655.549	7.118	50	40	KKGB	
CCOC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409401840	IJCGRJMPLVOHHM-ACXHZZMFSA-N	594.462	5.734	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OC	409408766	LLFAQZIPHHWWFA-ZSNJKBEMSA-N	623.662	6.275	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C(C)=C\c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1827371	DAPCBHJHLFBTCO-KCTLQDORSA-N	539.705	6.538	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2096475	OZCLACMOUVKNHI-BRJLIKDPSA-N	519.297	5.765	50	40	KKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	2225746	YUTRFSWAZHGHHB-DXTZOESMSA-N	522.457	6.675	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)N(c3ccccc3)C2=O)cc1	2325393	DJWXGUHGZXMMDP-BDPHVXEFSA-N	508.430	6.367	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1cccc(Cl)c1Cl	2705790	CXHRRJZBOJZDLD-KKMKTNMSSA-N	562.276	5.697	50	40	KKGB	
N#C/C(=C\C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1	3186204	WZATVMBWFDNRRP-KQTOXHKBSA-N	524.499	5.466	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1sc2ccccc2c1Cl	3297962	WTSKYWLTTJZZQK-WKULSOCRSA-N	514.994	5.943	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	6600567	BVUONYCPRARTCX-OCSSWDANSA-N	533.053	6.935	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1)c1ccc2ccccc2c1	8451465	YXQXDSRMYRLXAT-MYDTUXCISA-N	599.275	5.306	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2	12560772	ABBFHHRWRLFVKI-KEIPNQJHSA-N	500.646	6.873	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc(Br)c1O	12686127	CRSTUIRRQYIKPS-BRJLIKDPSA-N	511.401	5.096	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	19926478	NSURTSFTPAWCCZ-JFLMPSFJSA-N	520.438	5.046	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl	28216890	JUOFAUKODFQRKG-OKCVXOCRSA-N	508.474	7.457	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1	59885240	NQENSYMTGOURGW-CCVNUDIWSA-N	542.004	5.426	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1	97960764	FLZVZBIYBORKTA-RGVLZGJSSA-N	603.254	5.865	50	40	KKGB	
CCCCc1ccc(/N=C(O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1	97968692	JONJLTJNRGECMC-VBGHIBASSA-N	550.511	8.050	50	40	KKGB	
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3/C(O)=Nc4ccc([N+](=O)[O-])cc43)cc2)c(Br)c1	97980802	MNWMHZDAEMNQFM-UHFFFAOYSA-N	588.212	5.743	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1C	100124356	AZVIRGBQUKPTPL-UXHLAJHPSA-N	579.520	5.511	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)c1	100124823	AJOYYQLOJFOEDW-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100125948	ATABLXJUEAVUSV-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100127200	QTANOFSIGBLKMV-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	100398239	DTIOOSABZOCMGC-BVMLUPFRSA-N	619.914	5.720	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccc(C)cc12)c1cc(Cl)cc(Cl)c1O	102336398	KTIUSZUURSPDDP-KYHGBAKBSA-N	522.432	7.164	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1F	102719278	IVSNFGMBIIYXHY-MUUNZHRXSA-N	577.081	6.503	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528598	QJXFMTVPFPBQTC-GOSISDBHSA-N	548.409	9.884	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2	103887828	MJYIIBCWTBLJPM-OCKHKDLRSA-N	521.367	5.620	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)N(c3ccccc3)c3ccccc3)N=C3CCCC(O)=C32)ccc1O	104126679	JCCMMNXYSBNNGB-LJAQVGFWSA-N	537.641	6.768	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(C(=O)OCC)c1C	105588321	MDUVRBKQWYKDCC-DEDYPNTBSA-N	583.504	6.299	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	150487639	ZTMMQTWBJRKGON-YVLHZVERSA-N	623.672	6.840	50	40	KKGB	
C/C(=N\NC(=O)CN1C(=O)N(c2ccc(Cl)cc2)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C)c1ccc(Cl)c(Cl)c1	150614781	NZCCMQKIUYKQKA-MXEPJHAZSA-N	652.366	7.111	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795432	FICUHSAPIWLMGE-IYBDPMFKSA-N	914.276	12.991	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br)Nc1cc(Cl)ccc1Cl	226384592	LEPONHGAQRNSAC-DRKBARGVSA-N	581.132	5.270	50	40	KKGB	
COc1cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1	408538894	QZWSQVKVJCUWNO-WPWMEQJKSA-N	539.031	6.730	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)c(C(=O)OCC)c1C	408546329	GVIZZMMVJVCMSE-HYARGMPZSA-N	547.629	5.716	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)c(C#N)c1C	408547453	WZMOPSMTIROYFU-DEDYPNTBSA-N	536.613	5.417	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552987	TZBUUTCAIWSAJE-WOJGMQOQSA-N	510.377	5.874	50	40	KKGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408554697	SXOOMUOTHGUEOP-MHWRWJLKSA-N	534.321	6.575	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408566477	ACTZMPRQRLARRS-FJEPWZHXSA-N	677.586	5.633	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc2ccccc2c1	408598479	BGWHHXMWJIOPAG-VVEOGCPPSA-N	607.129	8.015	50	40	KKGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	408603187	FUVOOQZARLRRAO-KKMKTNMSSA-N	506.773	5.323	50	40	KKGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1	408612176	UJHXSKPRCLWBLZ-VFLNYLIXSA-N	520.800	5.001	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	408659483	VWKKSTJWGXREBS-BFNJWEDLSA-N	627.499	6.609	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408660849	XAZBLABEWOLMQQ-FFFWSKEGSA-N	691.631	6.009	50	40	KKGB	
CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	408668251	DAQAGWHZEGXSEZ-BJESRGMDSA-N	584.393	6.972	50	40	KKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408728802	ULJCPZHWESPGDF-ZCTHSVRISA-N	532.065	6.116	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(I)cc1	408747207	KMTVJGVHFPVQTO-JAIQZWGSSA-N	603.254	5.865	50	40	KKGB	
N#C/C(=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1Cl	408754740	HTYLJCDZYGHNTM-MOSHPQCFSA-N	523.397	6.460	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	408763670	JMBNRYLOWMSMLE-CPNJWEJPSA-N	511.397	5.379	50	40	KKGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1Cl	408764556	XMDVWDZYCSVVCN-XSFVSMFZSA-N	523.397	6.460	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(Br)c1	408765044	WBNLWVKFSMMJSL-UUASQNMZSA-N	615.536	8.296	50	40	KKGB	
N#C/C(=C\c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1	408765190	KNBYBTZSOJCWEF-OQKWZONESA-N	502.957	7.411	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1)NC[C@@H]1CCCO1	408773481	QWJYCLDFYPWLAH-DTWZTBRYSA-N	538.069	5.070	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(Br)cc2)cc1	408785543	HCSHSUACKAHPKR-UHFFFAOYSA-N	562.574	6.730	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1F	408788585	DRKUVYUVCIAUPG-LICLKQGHSA-N	515.766	6.375	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408788705	FJGQUBMPRAFYDQ-RQZCQDPDSA-N	546.204	6.579	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCc1ccccc1C#N	408789187	OJLOPNVBYCKEPD-CIAFOILYSA-N	532.394	5.853	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc([N+](=O)[O-])c1	408789448	KUARZTOYGPWWNU-XHPQRKPJSA-N	508.578	5.158	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408789710	RLQXOSHRGSYDAR-BUVRLJJBSA-N	603.900	7.815	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1	408790251	OIXMITWVDYJRDY-RQZCQDPDSA-N	580.693	7.933	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408796228	OOQHREZARAXICJ-LZYBPNLTSA-N	536.640	7.534	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)c1C	408797293	RBSPOSAKGJHUMO-VXLYETTFSA-N	652.245	6.776	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1	408799144	YFCXIXZZKKNFDU-XDHOZWIPSA-N	539.329	5.633	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408826416	CDQYRMGIJNMFBS-WSDLNYQXSA-N	628.339	9.012	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)c3ccccc3C)o2)Cc2ccc(Cl)cc2Cl)cc1	408829616	OPAKUTJJUGMLGI-WCMJOSRZSA-N	570.498	6.358	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S(C)(=O)=O)cc1Cl	408831895	VZZRTJHZVNDWJZ-PNQUVVCRSA-N	679.804	5.922	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408835767	ZFOCBGFIHAHRIV-FNTLCPBMSA-N	784.154	6.470	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1	408836512	SAMIPIMCNBEIBO-BYDMSBDESA-N	667.493	6.394	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1cccc(F)c1	408839118	NIDXXPGZXNYUCZ-XJECJHNESA-N	692.554	7.957	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839505	TZSIHYQLXJLDQU-XAZZYMPDSA-N	567.885	8.538	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408840316	AMMSIYXNQKSGML-AABVJFSESA-N	607.950	8.857	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccccc1	408841120	JACHYMSFELRAPA-FMFFXOCNSA-N	652.567	5.781	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408842950	KQEXBHYWCINGND-FJEPWZHXSA-N	597.922	7.307	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2cc(Br)ccc2o1	408845360	MLAYGUUACFDJRR-FXMZOFOKSA-N	688.541	7.559	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408849225	ZEAZBIJCPBIJFK-KBVAKVRCSA-N	621.285	6.447	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2cccc(C(F)(F)F)c2)cc1	408860596	ZSBNWUPOUIIXIG-ALQBTCKLSA-N	581.616	5.938	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc(Br)c1OCc1ccccc1	408867390	KODXLKAGYVKYIV-VTNSRFBWSA-N	573.512	6.990	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408882663	RRFBGVSCMVSRAE-DEDYPNTBSA-N	602.450	5.620	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OCc1ccc(Cl)cc1	408885608	CTVSSIVVYMECAZ-LZYBPNLTSA-N	532.767	6.688	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408886313	JXBFPTQGACXHMF-UDWIEESQSA-N	555.450	5.696	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccc(C(=O)O)cc1	408886597	KQKXWJDXZQGMTD-MHWRWJLKSA-N	606.248	5.223	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCc1ccc(Cl)cc1	408889352	CVEAMJBOIBCYRX-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(I)cc1	408896020	OWUHEANRKSLEOS-XMHGGMMESA-N	623.244	6.972	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OCc1ccccc1C	408921526	BBOAJWOGCMXLJN-CCVNUDIWSA-N	617.534	6.429	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccccc1F	408962833	JXXCLCKUDRXIPJ-KKMKTNMSSA-N	589.317	5.436	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1ccccc1Cl	408966694	MZZCVJRPGPTKGZ-VFLNYLIXSA-N	577.781	5.697	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)c(F)c1	408968389	WFPKMFUENSTMFP-IPBVOBEMSA-N	704.075	6.012	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCC	408971176	NKNTXBFMFHKBMQ-ZTUJDWAQSA-N	664.368	5.844	50	40	KKGB	
CCCCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408971437	OLCRNXJXKZTENY-OBBWREIJSA-N	556.490	5.817	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408978822	KLZOMCDFWCFNDQ-AXMMYCDFSA-N	556.460	6.040	50	40	KKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)c2C)cc1	408980671	SCTACOUPVXLOMS-NXENVEDLSA-N	534.657	5.053	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1cccc2ccccc12	409019543	UAGMVQKFRLIEPM-HQDYHJHZSA-N	584.470	6.657	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCc1ccccc1F	409021467	JIVMEMVTALOVOK-DBFSUHOCSA-N	545.792	6.729	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccccc1	409022866	VBTVNJZGWMOLIG-WKIKZPBSSA-N	513.775	6.200	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccc(C(=O)O)cc1	409040914	VCTAPRVMFGGJRW-HQDYHJHZSA-N	610.464	6.714	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409042448	KWGALLHOLDNXSE-SEBMTOOBSA-N	530.631	7.822	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OCc1ccc(Cl)cc1Cl	409054649	UYCJWEHUDCPVRI-IPBVOBEMSA-N	556.671	7.069	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1	409087673	ZEDLJUYTBQTIQW-AWNIVKPZSA-N	590.263	8.277	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1	409155978	JQGWSWMZPPFHRQ-ATZGPIRCSA-N	706.965	5.937	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	409170975	XQCHCTAAEBUCEZ-AMVVHIIESA-N	557.434	5.115	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12)c1cccc2ccccc12	409178627	MHCOTBPOMYQHAX-FAFKPCKNSA-N	561.641	5.802	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc(C)c(C)c5)(c5ccccc54)[C@@H]3C2=O)cc1	409180077	WFKWNBKRXATFMG-YAEMOELJSA-N	553.662	5.507	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1C	409181296	ARTLSMQEKVPBPQ-YGVWPYPHSA-N	574.080	5.852	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	409217909	ROAJZCNNJJFWJJ-NVMNQCDNSA-N	548.220	7.706	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409223918	HOZBPYFIZPZRHU-XDHOZWIPSA-N	615.855	6.215	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	409226328	NAAAQUROESTZHJ-SOSVVEOHSA-N	554.488	7.220	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409227315	XVUHKLQYFULCJD-KBKPWEKHSA-N	578.581	5.547	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)cc1Cl	409265378	HXMJQXVNMHWGIU-LICLKQGHSA-N	559.247	6.628	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OC	409320033	BALDSRRQCNZGJD-MBTHVWNTSA-N	658.898	5.282	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1OCC	409324660	UQUCSYLZIQMTIM-MNDYBZJGSA-N	669.208	7.505	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC	409336417	SHFHANPYHGLRFJ-DICXZTSXSA-N	535.405	5.098	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409357474	QKXGEVXFLGBKRP-YPXUMCKCSA-N	507.757	5.727	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1Cl	409366837	ZEZLMANASPDJQW-MUXKCCDJSA-N	515.835	6.000	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1ccc(I)cc1	409381726	VUUUIENRFMWEIQ-JCMHNJIXSA-N	580.422	6.249	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409385492	KWVYXDORJGSNTJ-XODNFHPESA-N	553.980	5.903	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccc(Cl)cc1	409394481	AXZPQDJRUMDROR-UHFFFAOYSA-N	528.395	7.125	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409394615	CUNCIMIHQXNROZ-UHFFFAOYSA-N	765.083	9.412	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)c1	409395591	PLXIYLWRVBBWSB-UHFFFAOYSA-N	665.313	7.491	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccccc4c3-c3ccccc3)cc2OCC)cc1OCC	409396225	HJNGLIAUGHVGTC-UHFFFAOYSA-N	591.664	7.014	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396261	IJYNLVUVOWHXQU-UHFFFAOYSA-N	626.065	6.804	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccccc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409396931	DBYTZWFVIJJGRP-UHFFFAOYSA-N	612.038	6.414	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)c(-c3ccccc3)c2c1	409397057	FSHDIQXCPQOHJB-UHFFFAOYSA-N	563.610	6.234	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1cccc([N+](=O)[O-])c1	409406865	XUAKVTOGWDSJIW-OJYCWLPVSA-N	608.651	6.916	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)o2)cc1	409406875	XVCUDNXIHFUOIS-AEUUOICLSA-N	588.491	7.916	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	1529544357	CFLPJYASPNBMRZ-PDQWDMBESA-N	736.472	6.229	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(OCC)c1	1529548475	HDVKQLVXIXJGFB-WTIDAYISSA-N	687.218	6.356	50	40	KKGB	
O=C(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)I)C(F)(F)F)C(F)(F)F	1772820754	XJWBQIVIYXFFAC-GBXIJSLDSA-N	555.959	5.185	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1	1103012	WBAIVUJLEKVLGU-GZTJUZNOSA-N	544.327	6.031	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(I)cc1	2070398	KSWJREZYTAOWCS-FSJBWODESA-N	522.184	5.225	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C(Cl)=C/c3ccccc3)nnc2-c2ccccc2)cc1	2221534	CWZUXHXZZWSHES-YDAYMKFSSA-N	504.015	5.417	50	40	KKGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1O	2322013	NREHLIBIPXSOFD-VULFUBBASA-N	506.678	5.660	50	40	KKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2	2339975	YVGRKCWHCMIERB-DTQAZKPQSA-N	543.472	7.696	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	3112659	GSMDEPIVFUOSNE-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)SC(N)=C(C#N)[C@@H]1c1ccccc1Cl	8411581	ZSLIEEXPUNNXCC-QHCPKHFHSA-N	537.110	6.009	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@H]1c1cccc(F)c1	8451180	DIYCKBAMXQNUDA-XMMPIXPASA-N	518.614	5.169	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCc1ccccc1	9200908	ZFNPTGPUDBXERE-CVKSISIWSA-N	514.363	5.341	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	9359169	NGJVAQCTEVRWOS-MKMNVTDBSA-N	510.325	5.660	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1	9836737	DMSACDAPMQEELN-RCCKNPSSSA-N	511.464	5.049	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nc3c(C)cccn23)sc2c1CCCC2	27460282	MXZUBCLLPFAUGK-CAPFRKAQSA-N	510.619	5.972	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1COc1ccc(F)cc1F	38153580	LHJJKHZYZRLOBV-YLKCYHHESA-N	515.731	5.254	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc2ccccc2c1	59335744	QFXGZRTZNUIXDP-CEUNXORHSA-N	502.614	7.400	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c1	59436966	LPGXLRWMLGJGAH-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCc1ccccc1Cl	59485166	NOSLINWROJNANV-ODLFYWEKSA-N	501.751	6.596	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(C)o1	59522995	QAMKSILVUGBOLH-HHHXNRCGSA-N	528.634	5.612	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1	96476433	VGBZWSLEEORVRJ-ULJHMMPZSA-N	512.009	6.881	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999667	UQLPNXUSTVQXBT-HKBQPEDESA-N	660.590	6.834	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@H]1c1ccccc1	98048710	WMZQUCFLSDRSJN-GDLZYMKVSA-N	538.673	6.019	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccc(Cl)cc1	100176699	IYGOPEZJSYWLFA-VTNSRFBWSA-N	525.992	5.546	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1Cl	100325961	ALGPTPIVFVPNHW-KBKYJPHKSA-N	553.196	6.016	50	40	KKGB	
COc1ccccc1/C=C\C=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1	100851174	UDVLAZOVFBQGBI-GUNJKHBISA-N	548.466	5.613	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc(OC)c1OC(C)=O	100852170	DMLNHAOIJJCPCC-OHUYPAJKSA-N	601.729	5.725	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C(C)(C)C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	100853191	CYDSUPPCLZJFFR-UCMJSZAQSA-N	539.749	7.080	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)ccc1OCc1ccccc1	100858117	IRPGDYDHFBZGDU-HNSNBQBZSA-N	590.149	6.934	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	102783969	SXNVGTODVNDMDL-MUUNZHRXSA-N	543.092	6.663	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1F	103861039	RDJIOWJCTHZLMI-RGVLZGJSSA-N	556.375	6.180	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(C)c1	103883473	AJGCZVUXTDJDNQ-JLPGSUDCSA-N	546.465	5.601	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl	103888881	HRUPRWRWZLOXRS-NCELDCMTSA-N	534.446	8.664	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccccc2Br)ccc1OCc1ccc(Cl)cc1	103902317	VNDHNSIZUULHRP-CCVNUDIWSA-N	547.902	6.464	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)[C@H](Br)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C	118932029	OQIQFVJQPICULU-XERPSOOMSA-N	523.596	7.592	50	40	KKGB	
CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341462	PNCJBGRYDYMBRE-NSHDSACASA-N	650.248	9.695	50	40	KKGB	
CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCC(=O)N/N=C/c1ccc(Cl)cc1Cl	150479155	OCAZZWFMIYEVSD-MLCSCPQYSA-N	666.393	7.501	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(C(=O)O)cc1	164706577	DMWBYVUQSVIMQN-JLPGSUDCSA-N	637.474	5.223	50	40	KKGB	
CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O	199761999	BEBBEBKQPQRPHS-ILJQZKEFSA-N	584.789	6.223	50	40	KKGB	in-vitro
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	207058759	JFRCDZNQJTZABW-CXUHLZMHSA-N	547.192	6.789	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408528249	UWYDHEIKFREQQZ-DHRITJCHSA-N	518.205	5.320	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408539574	XRFRSHQWMUHXOB-KOKCXWAISA-N	642.177	8.101	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCC(=O)Nc1ccccc1	408554125	QEIGXJAUJDCKRF-WOJGMQOQSA-N	547.036	5.724	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc(Cl)cc2)cc1	408579372	GKCFABZYWMXUDS-LICLKQGHSA-N	567.686	7.005	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccccc1	408648855	KJGHLZCVYWDCFB-KPIIRZJKSA-N	629.132	5.011	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408649044	XCSLMFJPSOIAMB-ZCQNZVIGSA-N	806.118	7.682	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c3ccccc3Cl)cc2)c1	408671760	UPCGWVZHLOKAJM-UHFFFAOYSA-N	566.054	5.677	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccccc1F	408678425	YZAULHNEROMOAW-OCSSWDANSA-N	540.433	5.930	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(Br)c(Cl)c1	408689426	RXHNGDWDLNSUHT-RGCFKVTRSA-N	588.669	5.012	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)Cn1cnc2ccccc21	408691922	YAKZKRYPHNHINX-NVMNQCDNSA-N	557.673	7.401	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408742952	QTRHRNNYPVEKLV-BKATUZMVSA-N	644.544	9.056	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)c1	408744797	HGRBVXKNJNPLMZ-UQQQWYQISA-N	570.487	7.380	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Br)cc1	408746762	GSJJSBXJPLMPLY-NDENLUEZSA-N	641.157	8.252	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408749055	KRBHVGXPNTXMAR-LGJNPRDNSA-N	651.542	5.376	50	40	KKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1	408749931	VCXBNOXRXFDOJR-OKCVXOCRSA-N	533.422	6.271	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1	408755656	RUCDPEJOGXJQLI-BHGWPJFGSA-N	573.208	5.196	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408766850	HLGMNMIZHYGODO-BKUYFWCQSA-N	664.371	7.968	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc2c(c1)OCO2	408767017	UWJXIUIBZBJCHN-NVMNQCDNSA-N	600.263	6.464	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408777106	VNOHXRMKUUJLPK-JWGURIENSA-N	581.308	6.046	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(I)c2)c2ccc(C)cc2)cc1	408782380	HOVUEZXMDGCERH-NLRVBDNBSA-N	593.512	5.057	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1ccccc1Cl	408790002	TWPHFQNQWPSMEL-GZTJUZNOSA-N	559.747	5.977	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1cccc2ccccc12	408793083	NEOCFOLKQOTJPT-BUVRLJJBSA-N	585.454	6.912	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)cc1	408793915	QWGBXWXDFYHPFJ-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(C)cc1	408797637	SVALNZJPJXXHBH-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408821723	AKJOLTBCHQKISZ-RQXXSLPSSA-N	719.285	6.016	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OC	408828725	NTEAZWXQWCSQOS-RQZCQDPDSA-N	562.247	6.898	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408833442	SKADOTPNVJKIMD-HZHRSRAPSA-N	547.413	7.836	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1	408833949	KNCSVJUHHJWGPM-WCMJOSRZSA-N	602.496	5.759	50	40	KKGB	
COc1c(Br)cc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408838772	IEVYURBMLRJAKW-KVSWJAHQSA-N	576.303	7.396	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)c4sc5cc(Br)ccc5c4Cl)cc3)sc2c1	408839216	OXBXEFXVHWVYGA-UHFFFAOYSA-N	633.376	7.821	50	40	KKGB	
CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1	408846918	KQAWZTUPZLGJKF-MIXAMLLLSA-N	502.412	6.378	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1	408847351	VFJOJVUTSGMREV-RVDKCFQWSA-N	733.323	7.684	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(I)cc1	408847933	WZJWTZOKJFOLLR-LQNQUEJISA-N	580.422	6.508	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1OC(=O)c1cccc(C)c1	408847971	WGKNSJLXKFXUNN-HNSNBQBZSA-N	600.469	6.392	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc(OC)c1OC	408848984	XOZDMSPGOQBBCW-ODQASSKESA-N	767.998	7.487	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)c2ccccc2)cc1	408856335	FUVIGLHBQBYOPJ-HNSNBQBZSA-N	652.567	5.699	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C)cc1	408857773	PUVXWCVHZLNVDJ-MBTHVWNTSA-N	507.384	6.245	50	40	KKGB	
O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408861242	AQTTZMZHECGPHL-ZCTHSVRISA-N	557.697	5.340	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	408864186	UIAJYBMVVMRHRZ-MQCSSTEZSA-N	603.959	6.262	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Br)o2)cc1	408873238	PGNAEKQNBLNKCI-ACXHZZMFSA-N	643.947	5.484	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)cc1	408877059	PCUAQOUCXUSGEC-RQZCQDPDSA-N	565.773	7.255	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408877721	YBIVECFUKPOZPD-FRKPEAEDSA-N	600.218	7.908	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408879298	CXSHNLBMHSUMJM-VCHYOVAHSA-N	503.293	6.743	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c([N+](=O)[O-])c1	408892638	BMYGQQLGRDVERQ-VCHYOVAHSA-N	571.225	6.553	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1	408904674	MXGZYQOKNZYTAZ-QDTIIGTASA-N	572.799	6.499	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408940379	CFLPJYASPNBMRZ-MUUNZHRXSA-N	736.472	6.229	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc(C)c1	408964860	STYJWQUWWKWUQE-VFLNYLIXSA-N	521.333	6.128	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OC(C)C	408970468	IRWCCCNECABGTM-IYIQFSFFSA-N	542.891	5.883	50	40	KKGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408971559	IYBMLENESQHCLF-XRRLDJLYSA-N	562.881	5.691	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12	408973445	SIUJYNOUVCOYIT-MUFRIFMGSA-N	526.445	5.488	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408981736	WNOHGKSHRQIJGJ-LMLUNKDASA-N	500.602	5.701	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	408989799	IXQUZTHODMRJRX-IURWMYGYSA-N	623.499	6.677	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408996667	MFOFBBGSFVJACU-AUWJEWJLSA-N	680.007	8.958	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OC(=O)c1ccc(C)cc1	408996760	JWAMBWPYQIYLGF-UXHLAJHPSA-N	511.534	5.222	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	409004450	CXZZJOVKDKVNBO-HNDWHWEHSA-N	609.638	6.541	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409017064	VABVXHBLJDUWIQ-MNBJERMJSA-N	510.594	5.193	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	409017957	NYWVEDOSEPAYQV-HQDYHJHZSA-N	522.580	5.890	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(OC)c1OCc1ccc(C)cc1	409020873	UYSGLJZDOPTERE-IBBHUPRXSA-N	659.318	7.188	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OCc1ccc(F)cc1	409041737	VLBKDVMYXNZTNX-IDWIKUEFSA-N	545.614	7.121	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409069949	KCFDBXAGRWPVSV-XQNSMLJCSA-N	551.064	6.397	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1	409081952	QRIXXKQTHAOMCX-OQLLNIDSSA-N	632.221	6.765	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	409128980	LMMFRFNIHBMMHP-NDZAJKAJSA-N	625.488	5.216	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409135763	QOMXEZXODCZTDX-FDAWAROLSA-N	549.096	5.710	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OCC)c1	409161474	XTUBGPIXYPSIRA-IBBHUPRXSA-N	678.911	5.157	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409208769	DFUGEIPSGFTFAG-UUYOSTAYSA-N	564.233	7.916	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409239169	GUASBWUQWXCZDX-ZDLGFXPLSA-N	592.311	6.133	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)c(C)c1	409252945	FMJYBZFNSMIPHN-XDHOZWIPSA-N	522.374	5.768	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409272793	SKJSTHNMKZWKST-PPDIBHTLSA-N	551.224	5.546	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409303743	OHIHDRCXVSKSGX-YKQZZPSBSA-N	551.020	5.459	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1OC	409309660	KNVWGVLOEQDGHB-NUJZUDFISA-N	592.259	6.267	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC	409310068	PUWUZXHUZMCCSK-BVMLUPFRSA-N	616.896	5.774	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCc1cccc2ccccc12	409353499	MBIISFAOSROEJG-IBBHUPRXSA-N	597.307	6.515	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2)c1	409363125	LAPVFCFHVJARIF-VYYCAZPPSA-N	530.260	6.100	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cccc(OCC(=O)Nc5ccc(F)cc5)c4)cc3)cs2)cc1	409363166	JZSNMRHJJIXNRT-HQDYHJHZSA-N	579.657	6.783	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	409369044	YWDKDVFPUJPMQP-KVSWJAHQSA-N	565.251	6.066	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409371747	MSUHEOFMRSWLTL-IUXPMGMMSA-N	559.170	6.671	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(OC)cc1	409376804	BHUGHGLYMMTMQA-XMHGGMMESA-N	505.958	5.310	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3Cl)[nH]c12	409395286	LYANRCXGFXTOGW-UHFFFAOYSA-N	597.856	7.106	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409396905	CTYJQZKRJOHLLJ-UHFFFAOYSA-N	572.448	7.524	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4)c(Br)c3)o2)cc1	409402730	KUIFLKAJDHVOHJ-FZKWRIDDSA-N	598.497	7.372	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(Cl)cc1	409404237	PMUNKEGUUQXBKI-GLJXUZQSSA-N	624.137	8.000	50	40	KKGB	
CC(C)(C)[S@](=O)N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1	2325712232	ICLDONXQGZEXEU-HQIVZWIISA-N	593.713	6.671	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1COc1ccc(F)cc1F	649960	QVVZQKODODDIHZ-MHZLTWQESA-N	514.532	5.573	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1)c1ccc2ccccc2c1	2079622	YXQXDSRMYRLXAT-BJESRGMDSA-N	599.275	5.306	50	40	KKGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1cccc(Cl)c1Cl	2214004	GZZVDXSJVBEJSC-XODNFHPESA-N	543.501	5.875	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2337849	IBYXFABYCDIKTE-UXHLAJHPSA-N	513.667	5.791	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2cccc(Cl)c2)c1Br	3059797	QPYNCTJJIFPBPM-NUGSKGIGSA-N	502.634	5.826	50	40	KKGB	
CCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCCc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1	9432062	SMTDFPJMAXQKNO-WDMJVNMNSA-N	511.647	5.043	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)c1	53337895	XCAFJHSYJDHGKJ-ALQBTCKLSA-N	552.030	6.769	50	40	KKGB	
C/C(CCc1ccccc1)=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1	59856399	CNNBIBQVTZCITM-IWBSIUBASA-N	560.119	6.782	50	40	KKGB	
COc1ccc(C(=O)N/N=C(/C)c2ccc(O[C@@H]3OCCO[C@H]3Oc3ccc(/C(C)=N/NC(=O)c4ccc(OC)cc4)cc3)cc2)cc1	96022845	BMCQBEXQNOHVID-OHWSPXAESA-N	652.704	5.169	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(=O)OC(C)(C)C)=C(C)N2)c(OC)cc1Cl	97999475	RUXXKPKGVWCQNI-RUZDIDTESA-N	590.529	6.420	50	40	KKGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1	100035708	PURUQCZPJNOSRJ-DFKUXCBWSA-N	535.710	5.998	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)Cc2ccccc2)cc1	100070400	RGRDRJCQIOVCKO-CAQPMQTCSA-N	592.121	5.047	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cccc(C(F)(F)F)c1	100235966	XTVIYTPAMDMDLX-UVHMKAGCSA-N	524.280	5.653	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccccc1	100335936	QGSWNSXYUPBZEG-CIAFOILYSA-N	524.358	5.102	50	40	KKGB	
C/C(NNC(=O)c1ccc(Cl)c(Cl)c1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	100424820	ASOVQUPKYROEFJ-STZFKDTASA-N	522.417	5.563	50	40	KKGB	
CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)O)/C(=N/NC(=O)c1cc(-c3cccs3)nc3ccc(Br)cc13)C2	101094522	OKWUBPVBFJOMQS-KILBYSQOSA-N	562.511	5.526	50	40	KKGB	
Cc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(S(=O)(=O)c3ccc(C)cc3)o2)cc1	101412781	DJONZURMPSZYTG-UHFFFAOYSA-N	574.662	6.411	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])N1	102809921	SBTXKOIZWYLDHH-SANMLTNESA-N	525.590	5.301	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	102809942	RNKWBDGDUQQOAS-MHZLTWQESA-N	547.055	6.494	50	40	KKGB	
C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C(C)\C=C\c1ccccc1	103068934	BROYUTUZQKOFRJ-LLYJCIRHSA-N	586.503	5.367	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1	103890432	XZYIPYSUKRIILA-ZDLGFXPLSA-N	545.806	6.868	50	40	KKGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2sc3c(c2C#N)CC[C@H](c2ccccc2)C3)C1=O	113481809	PPJKPSKLHGAKLC-DFBJGRDBSA-N	535.654	5.628	50	40	KKGB	
O=C(C(=O)c1ccc(/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1)c1ccc(/N=C\c2ccc(N(CCCl)CCCl)cc2)cc1	150487070	QCNBTJRYIGBWIN-LTEVTRLRSA-N	696.506	8.821	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	216042860	MBYCXPXMKNJBRE-DBFSUHOCSA-N	505.829	6.544	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(N4C(=O)[C@@H]5C[C@H](Br)[C@H](Br)C[C@H]5C4=O)cc3)cc2)cc1	251467833	JHKJDVOEKAVXOC-POTDNYQPSA-N	683.349	5.680	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br	408539814	ZCVUDFZAYZHXMP-LFIBNONCSA-N	540.683	7.370	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408540278	PNKHKMQIDGHRNK-CKJBABAKSA-N	588.704	7.488	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408542363	LFXATPODTOWFDA-IUXPMGMMSA-N	637.655	6.530	50	40	KKGB	
N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408553357	OEXQOHSBTYUCPF-YBEGLDIGSA-N	500.769	6.210	50	40	KKGB	
CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Br)cc1	408580033	MPRIFULUBFMJCO-RIYZIHGNSA-N	500.028	6.827	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1	408612046	UCXRXKGTYBYDHG-WKULSOCRSA-N	530.408	5.459	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1	408643649	PXNMAVZJRPWDBN-UCDDGIFISA-N	767.254	6.383	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@H]2C1	408646742	UIBLXMDVSOCWDE-VUVCYMEASA-N	519.400	5.138	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	408650269	MDEUACAOQHRFSS-ACRUOGEOSA-N	521.828	5.406	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)cc1	408659584	VZCIQBGGPUGFPE-NCPQUSJXSA-N	799.321	6.088	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408688409	WGGJAEOEORHEFU-ZYGGUILKSA-N	634.108	5.381	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)c1	408739965	CBMBBOZWCUZZLG-UCQKPKSFSA-N	557.444	7.134	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3F)cc2Br)cc1	408743970	IUQRNPKORXKVID-UNOMPAQXSA-N	525.374	6.120	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744854	HUWOWEHMMWYTKK-ODLFYWEKSA-N	539.760	5.941	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2I)cc1)C(=O)Nc1cccc(Cl)c1	408752278	HHOBXLVRRJEXMI-SFQUDFHCSA-N	557.775	5.508	50	40	KKGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1	408757484	XYBNOZROMYLJMZ-VZFOORBSSA-N	534.454	5.815	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc(C(C)(C)C)c1O	408762881	LOKQNHDMASWTMU-ALQBTCKLSA-N	564.126	6.741	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1	408787661	DGMNFSJTZOZELZ-FYJGNVAPSA-N	565.420	6.069	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408799390	ZBAMMNPCUYWKSY-IZZDOVSWSA-N	514.999	5.528	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1	408799655	ZZKHWBFPTVSGIT-KOEQRZSOSA-N	525.004	7.052	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408803217	MOWPTGZSWGAHSL-HYARGMPZSA-N	545.864	7.997	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c(OC)cc1Cl	408821761	APGLSOQYMRGMFB-LFVJCYFKSA-N	549.026	7.788	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1cccc(Cl)c1	408830980	GTFGFDLLNSASSN-YDZHTSKRSA-N	593.894	8.359	50	40	KKGB	
O=C(NNC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1)c1ccc(Cl)cc1	408840456	YXTCSELMAZVXDN-UHFFFAOYSA-N	518.809	6.189	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl	408842068	IGQJNSAJVWQGOS-YLYVUXRMSA-N	701.415	9.149	50	40	KKGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)c1	408843919	UOFFJEDQOMFCSF-FADJLKOXSA-N	577.706	6.381	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1cccc2ccccc12	408847859	WFRWFSCRMKFSIF-MKUMZIATSA-N	619.765	9.076	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(OC)c(Br)c2)c(Br)cc1OCc1ccccc1Cl	408850551	BUXYTNJBMLOZDJ-XKJRVUDJSA-N	675.599	7.378	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1	408857572	VANJAQYTYOXNPJ-OJYCWLPVSA-N	608.492	7.256	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(C)(=O)=O	408863159	KPCJEZPMEBPSDO-AMVVHIIESA-N	659.386	5.659	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1Cc1cc(C)cc(C)c1	408865276	CPGXNXBZDDKHGU-CIAFOILYSA-N	507.403	6.740	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(C)cc2)cc1Br	408865406	CDPCNUTWDCZCJF-FABQOPTDSA-N	700.011	5.783	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408875207	HHKVJIDGQFRGAZ-HNSNBQBZSA-N	596.080	5.802	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OC(=O)c1ccccc1	408880077	IWIDOXUZDLSSLE-LICLKQGHSA-N	696.133	6.898	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1cccc2ccccc12	408882155	QEAGGRGXYIYEQK-WCMJOSRZSA-N	590.499	6.964	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408885184	YFHPBLWIJOQAIJ-BIZUNTBRSA-N	611.717	5.755	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408889185	FJBUSLCBIPOTIC-BJMVGYQFSA-N	507.673	6.269	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12	408911321	MYQTXQQPXGPQOT-TYBAKLTESA-N	517.029	5.459	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccccc1F	408938959	ASOBQFUOPHFAEP-HHHXNRCGSA-N	781.442	5.657	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc(F)c2)c(Br)c1	408951010	SXMWLFXDGOIIDK-MUUNZHRXSA-N	655.546	5.052	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	408970027	YVQOTNKRKJAASS-HJJGWJAFSA-N	606.550	7.174	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1	408995658	CZWVAEUEYGQCAE-MQVSESQSSA-N	582.454	6.393	50	40	KKGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)c1	408997525	MVPMQKSUHIQEPQ-FJEPWZHXSA-N	513.937	5.005	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408999298	QRICLWOIKSNKBR-LMUZBFEMSA-N	679.409	7.201	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl	409000220	FBSCWLCPDBVCHE-WSHOCQNKSA-N	635.142	5.235	50	40	KKGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	409012523	IOEZHZUQAHKTFV-XPZVIRIISA-N	540.447	5.203	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Br)cc3)cc2)cc1	409016518	CYMOLDKTNGGHJX-LJHVUWIPSA-N	702.561	7.612	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br	409021501	KODWLRWGSOQARM-QDTIIGTASA-N	508.759	6.063	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1	409025336	UCJQQEXHRYFEKC-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
Cc1ccc2c(c1)c(/C=N\NC(=O)CSc1nc(C)cc(C)n1)c(C)n2Cc1ccc(Cl)cc1Cl	409033030	KEXWGVXTOVGAJR-ULPWCQAASA-N	526.493	6.262	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2I)cc1	409033663	OMRXALQXZHTJPA-DLCNMLRHSA-N	753.334	7.152	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409049891	RFPAYEYKWWUSTO-OHUYPAJKSA-N	526.423	7.552	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409086951	SDJXNLIWFAMNKE-VCHYOVAHSA-N	559.928	7.621	50	40	KKGB	
C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Br	409129408	GPKFXGASRADAJF-HXUWFJFHSA-N	565.306	5.159	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409162974	KEGHKKCNPWIIGD-MHDJOFBISA-N	676.939	5.251	50	40	KKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2cccc(Cl)c2)nnc1-c1ccccc1	409195467	UZMSCXHJSYIXFI-CVKSISIWSA-N	506.975	5.442	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409201404	MSGLTYLGHDVRHT-ZDLGFXPLSA-N	510.300	5.917	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409212561	QRKKIYQDXYRFFJ-XODNFHPESA-N	568.320	6.976	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1	409224654	MZNGBTHQHUVCNF-UHFFFAOYSA-N	586.442	6.002	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409226128	OYUUZEJGSRTZRD-DBFSUHOCSA-N	532.811	6.224	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccc(C)cc1	409226539	UJHJSNZWXPFUNE-UHFFFAOYSA-N	535.600	5.938	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)cc1	409227341	ZMDXCPQGZGGXBW-RQZCQDPDSA-N	614.250	5.991	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2Cl)cc1	409247720	AWGAWNZAPJOMOJ-YVLHZVERSA-N	603.698	6.737	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409302784	KKKQWVXVUGCEJJ-FZKWRIDDSA-N	603.513	7.087	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc2ccccc12	409303148	LSQIXKHBLMQTOL-NDENLUEZSA-N	553.681	8.661	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)ccc1OC	409325146	WWOINDRRCKCOSA-VYYCAZPPSA-N	562.258	5.962	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409364503	PXHZOUKGVVVERB-ODLFYWEKSA-N	599.400	5.619	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1	409374042	XOIHEOLDOYOECS-IURWMYGYSA-N	548.253	7.805	50	40	KKGB	
O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1	409382458	MOTPTCVGZAVOTD-RPWUZVMVSA-N	662.495	5.174	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(Br)c1OCc1ccccc1Cl	409384078	ZOKMBPVHZQTWNO-CCVNUDIWSA-N	547.833	5.861	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2I)cc1	409384483	CMGSSJDEANFKLQ-LUOAPIJWSA-N	727.274	6.060	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)cc1	409395562	PBEQPAUDDHVMMK-UHFFFAOYSA-N	647.323	7.352	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OCC)c3)c(-c3ccccc3)c2c1	409397811	OHMRIUQUXCYLBI-UHFFFAOYSA-N	637.689	6.641	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398450	TVAKWUTZFOCYKU-UHFFFAOYSA-N	566.545	6.264	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409399359	ZWKDZWZRSAHQNK-UHFFFAOYSA-N	636.919	8.186	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1[N+](=O)[O-]	409402915	LFTNKGZUTSFNLR-GYDRZMFUSA-N	639.459	5.641	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(CC(=O)OC(C)C)c4ccccc34)o2)cc1	409407052	YQVFRRJRUROVQE-HQDYHJHZSA-N	566.658	6.245	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccccc3)o2)cc1	409408708	KVSCRFOFTYNQBQ-NTNDIWBESA-N	604.619	6.557	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccc(Br)cc4F)o3)o2)cc1	409409660	PTWZDDZRFQNUPJ-ZMGVVAQMSA-N	576.422	7.192	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409410674	ZPFNFHUVHZQYLZ-FYJZQEALSA-N	638.120	7.701	50	40	KKGB	
C[C@@](Br)([C@H](Br)C(=O)OC(=O)[C@@H](Br)[C@](C)(Br)C(F)(F)F)C(F)(F)F	885164247	ZELPMBBZBYPHTK-MUBRXSNZSA-N	609.775	5.015	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1	1529549075	SJGMZOAUBFDXBA-QNDPHOHFSA-N	627.550	5.457	50	40	KKGB	
CC[C@H](C)Oc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1OC	1531386416	KPEBZPFODWTHFT-MUKWFXSPSA-N	515.610	6.216	50	40	KKGB	
Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1Br	2111299	SXDUANYIVJTXFZ-DEOSSOPVSA-N	507.428	6.096	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	2327726	TYCANXIUXOVPSN-GFPZRUSRSA-N	518.436	5.823	50	40	KKGB	
Cc1ccc(NC(=S)NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1	2348645	FOKGNWYRXXIJTA-UHFFFAOYSA-N	509.060	5.006	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccccc1Cl	6600430	IUJMSFQYUQUVKU-ONUIUJJFSA-N	540.063	6.793	50	40	KKGB	
Cc1ccccc1C[C@H](C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1	8861183	ZSBCXFUZAPQSQY-FOGHPNEFSA-N	516.233	5.702	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1)Nc1ccc(F)cc1	9058437	VHXRSUXBPMCQJJ-FDAWAROLSA-N	513.594	5.899	50	40	KKGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	9058797	YSYVYVLFZFDKAS-UVHMKAGCSA-N	502.423	5.394	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=N)[C@H](c2nc(-c3ccccc3)cs2)C12CCCCC2	9434156	DHKDQQRAHRYIJM-XMMPIXPASA-N	513.692	6.532	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(OCC)cc1	20130047	LPHUGJRQORJKEK-SANMLTNESA-N	503.624	5.191	50	40	KKGB	
N#CC1=C(SCC(=O)NCc2ccccc2)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl	33353846	GLMGARYNSYHAJX-PPJWLVRDSA-N	592.064	5.623	50	40	KKGB	
COc1ccc(/C=N\NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1CSc1nc2ccccc2o1	33636572	PMRBQJBBNGNZCL-XBWOMKGLSA-N	504.439	6.170	50	40	KKGB	
CC(C)CCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3cccc4ccccc34)c3ccccc32)cc1	46085034	UIQFTYQHSDEAQO-NMSHJFGGSA-N	521.617	5.711	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1	59335684	GSFQVCKQYKAQQV-XKZIYDEJSA-N	505.387	6.750	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(SC)cc2)c(OCC=C)c1	59646632	XURYPIFTKWBCDK-NJZRLIGZSA-N	595.743	5.282	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1	95752821	QSICSTVCRXGVRM-UCMJSZAQSA-N	557.488	6.883	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C\c1cc(Br)ccc1OC(=O)c1ccccc1	98001551	OOCYOUVGMXHSRQ-ZRGSRPPYSA-N	566.633	5.613	50	40	KKGB	
N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1cc(Cn2cnc3ccccc32)cs1	98008124	IOPJLZWHNLMTNE-SANMLTNESA-N	522.590	5.359	50	40	KKGB	
O=C(c1ccccc1)[C@H](/N=N/c1ccc(Br)cc1)P(=O)(c1ccccc1)c1ccccc1	100681545	DTHZJWGRLJPZCC-HNECCPCKSA-N	503.336	6.756	50	40	KKGB	
CCCCCCCCCCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	100710838	TURSWQJGVDBROM-WNAAXNPUSA-N	542.558	9.641	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Br)cc1	101055083	MUUVGZMTXBZENN-RPPGKUMJSA-N	538.310	5.145	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1	101247926	ODMWGIGFRIUQDD-KVHSSYOWSA-N	546.838	6.851	50	40	KKGB	
Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)/C(C#N)=C\c3ccc4c(c3)OCO4)c2)cc1Cl	102947868	AWQOXDMJSRGVTA-PXNMLYILSA-N	530.389	5.377	50	40	KKGB	
CC(C)Oc1ccc(Br)cc1/C=N\NC(=O)N/N=C/c1cc(Br)ccc1OC(C)C	103748537	YXCCOAFLNXGUQA-PPPTVUPGSA-N	540.256	5.453	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cc2ccccc2o1	103877600	LOLHZKLAYKZMCG-KEIPNQJHSA-N	560.451	8.084	50	40	KKGB	
COc1ccc(-c2nc(-c3ccc(/N=C\c4ccc(N(CCCl)CCCl)cc4)cc3)cs2)cc1	104053239	XMXFIPYBAVNZNJ-YKQZZPSBSA-N	510.490	7.520	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccc(Cl)cc1)N2	245232512	WUFJXFLQFQGKDW-ASDZUOGYSA-N	550.489	5.934	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408538385	MATORIWFWXQDIU-MYYYXRDXSA-N	603.502	8.104	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c(C#N)c1C	408547500	YJJNPSQCOKURBE-WQRHYEAKSA-N	517.588	5.883	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(C)cc1	408551621	DUIRWAWWQZLBKC-CIAFOILYSA-N	532.065	6.984	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4c(F)cccc4Cl)c(Br)c3)CC2=O)cc1	408601536	BHORPOFVFPHGNN-INIZCTEOSA-N	546.824	5.625	50	40	KKGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	408607665	DWVGPJLKVNPJAO-XKJRVUDJSA-N	525.219	5.646	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1	408609000	IXMZHCNPBSNVGA-STBIYBPSSA-N	509.990	5.195	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1	408640819	IWTRYORIKUQQCV-ZDNVTZCJSA-N	692.744	5.314	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408673785	VHOSCBMLZVRMSP-WOZUAGRISA-N	562.302	5.490	50	40	KKGB	
O=C(O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408681953	JWFRKWJBDBYSRM-XNMGPUDCSA-N	597.292	7.790	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccccc1	408742939	QSBNOUZROVMUIP-GRSHGNNSSA-N	584.211	6.050	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)ccc1I	408746714	GBWDJKSFFDUCAU-LUOAPIJWSA-N	643.659	5.757	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408747091	JFPKGOHLXJORQR-BJUCDSOZSA-N	710.193	7.326	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1cccc2ccccc12	408758836	SFBDLFOEBJMECP-BUVRLJJBSA-N	588.445	7.276	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccccc1C#N	408761172	CPRQBYNBUUDRIB-OCKHKDLRSA-N	614.237	6.059	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Br)c1	408763056	NIHUYNYWSHQGEM-PXNMLYILSA-N	763.993	7.545	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc(C(F)(F)F)cc1	408777094	VCVAWGUASRJAEX-ODLFYWEKSA-N	549.286	6.651	50	40	KKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)[nH]c2cc1C	408785133	XZRSGUNFOGOUKE-NDENLUEZSA-N	506.391	6.564	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2I)c1	408790102	NQEYGNWWYCOSOQ-LPYMAVHISA-N	522.386	6.341	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c1C	408798099	UVBCAEFHDMMGCQ-QGMBQPNBSA-N	609.145	8.260	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(Br)cc1	408798125	UOPREEKHFYKVGB-BUVRLJJBSA-N	603.900	7.815	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408798535	VREQJJMZLKHJHF-SRZZPIQSSA-N	597.409	6.340	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OC(C)C	408805165	JBAUQXZEVRTCMA-VCHYOVAHSA-N	504.368	5.640	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408816484	UTVQYTLFUSPYDO-LPYMAVHISA-N	531.439	7.978	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408818652	OHGMOZKTLUULBG-LSCVHKIXSA-N	672.144	7.171	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC	408824361	ICQGFEXMHJXQBZ-OVCLIPMQSA-N	519.779	5.076	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccccc1	408835538	NQBLLYWTWPURQQ-PCLIKHOPSA-N	617.927	8.205	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OC	408836675	UFFKBSJBQOQKMW-RQZCQDPDSA-N	517.796	6.789	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccc(Br)cc3/C=N/NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)sc2c1	408838832	JAHSNQSOZOXDTE-QNVXDBMFSA-N	681.395	8.514	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408839223	OZEVJXWGYRXWJX-ATZGPIRCSA-N	588.472	7.444	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408843495	LRLYRGISVSIFSF-ATZGPIRCSA-N	617.956	8.313	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc(Br)cc1	408843511	LULPVNADVYXDJD-KULFSUQXSA-N	740.905	9.474	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408844118	ONZVXSBOBQWNLU-ATZGPIRCSA-N	614.083	7.467	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(F)cc1	408846530	SUOLEROTILMGPW-HIWRWHBISA-N	558.557	6.325	50	40	KKGB	
O=C(O)c1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Cl)cc1	408850025	CZVWTARJFMUIHI-FXMZOFOKSA-N	562.203	6.543	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408856191	BKDAWBLGTWGARB-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408865965	FBERHNHVVZILGT-STBIYBPSSA-N	544.073	5.100	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Br)c1OCc1cccc(F)c1	408888656	YLNRDQZJTUFORJ-IIHBXENTSA-N	637.453	7.088	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2ccccc2Br)c1	408897014	PSBCMQIDENDGPY-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1	408897466	XEXJATNTXICPKW-DEDYPNTBSA-N	525.424	5.688	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1cccc(F)c1	408904065	DCRCZOUZLXMITG-PPDIBHTLSA-N	565.237	6.402	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccc(C)cc1	408905316	XCGRWTLCBRUCQK-LQNQUEJISA-N	513.550	6.120	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408905543	ZAOIDYCFZKWVIF-ACXHZZMFSA-N	526.524	6.231	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2)c(Br)c1	408942012	FDKWDUYTKMWFLK-HHHXNRCGSA-N	672.001	5.567	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1	408971321	FXYIGBHUMOUEJM-MBNHRLPOSA-N	833.292	7.102	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1Cl	408973222	XQFGYIAZTUKUEH-RCIBEZFCSA-N	733.874	7.642	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCCOCCOc3cccc(C)c3)c(OC)c2)cc1	408973635	ZXDRFDWINTVBKR-CJLVFECKSA-N	537.012	5.686	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1	408978352	IKKUQCUVDMAXEB-ZLZXEHKWSA-N	574.475	6.509	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	408980662	RZJFVWGRJGOLBR-QWKCNVQFSA-N	729.356	6.486	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C(\C#N)c5nc6ccccc6[nH]5)cc4[N+](=O)[O-])sc3c2)cc1	408987245	AYRYTTIJXBQZDG-KGENOOAVSA-N	588.674	7.857	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408998721	NWENCMMZHHSSJP-IQZQLMGCSA-N	569.492	7.008	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1	409002881	XBXAPQGLAAMERN-OGLMXYFKSA-N	520.370	5.716	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1	409015907	PJLYUHCRTXHGMR-FJKHUEJASA-N	575.449	5.919	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cc2cc(Cl)ccc2o1	409023162	WRYKBJNCAMUODK-FXMZOFOKSA-N	597.090	7.608	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409035177	JARRXMQBMYCVSP-VTNSRFBWSA-N	584.057	7.458	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	409041960	WPIURFCBLOXIKH-ATZGPIRCSA-N	660.322	7.678	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OCc1ccc(Cl)cc1	409045585	ZMIBJMPBOGUKPF-RPPGKUMJSA-N	548.777	5.458	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	409071798	PYCQLOMJRRWKLB-RVDMUPIBSA-N	552.233	6.069	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078089	HPZDJSUJVXLOGE-OVCLIPMQSA-N	564.270	7.149	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409118289	ZKFZHFXGJQUPFA-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccccc2F)C2=C1CC(C)(C)CC2=O	409125154	MRSIMFPGBHVVCV-RUZDIDTESA-N	554.460	5.550	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409132958	YSMHZUBRVVRZSU-ROPCREHHSA-N	678.982	6.625	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409138684	GNCTZPFKDIFZOC-NRFANRHFSA-N	520.210	6.150	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)cc2c1	409186997	KQWCJWIXHSFIKK-MUXKCCDJSA-N	572.253	6.699	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1	409187286	OJYLDKPGQITNSE-MOSHPQCFSA-N	540.255	6.899	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1	409214456	XPMRGJAHOWYSDF-CCVNUDIWSA-N	547.902	6.631	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	409224313	KEIQYMYENGXKPE-RPLACLTLSA-N	591.023	5.144	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409228684	CNQOJATURLXEDX-HAHDFKILSA-N	518.013	5.331	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Br)c2)cc1	409249874	IYZRVVVOEVNDNY-QGOAFFKASA-N	554.828	6.064	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409268239	YEXJLQFSGSJOLO-GRSHGNNSSA-N	626.407	5.388	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409319264	CQAOVTOGTSJBJC-AEUUOICLSA-N	666.956	6.870	50	40	KKGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OCc1cccc2ccccc12	409365619	RBAIIHIBJXDRHT-JFLMPSFJSA-N	545.524	6.226	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3)c2c1	409395595	PODURUFKDVNFQE-UHFFFAOYSA-N	660.366	7.409	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl	409396211	XBZXTSANDBGRBY-UHFFFAOYSA-N	687.377	9.049	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397196	HHIRILFMHPYOPD-UHFFFAOYSA-N	602.525	6.754	50	40	KKGB	
CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)[nH]c12	409397693	MWOUKHRRWVZUJH-UHFFFAOYSA-N	501.586	6.689	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409398173	RMUQAQSJIFERBY-UHFFFAOYSA-N	596.039	6.826	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4C#N)c([N+](=O)[O-])c3)o2)cc1	409404646	QNYGTWCODXVXAM-KMUKQRDJSA-N	589.608	6.389	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(Cc4ccc(F)cc4)c4ccccc34)o2)cc1	409406019	VTCMNXSOSBEAAP-CLHYIUPASA-N	574.656	7.481	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OCc1ccc(Cl)cc1Cl	1529549242	WTCFXCGNDQPPHP-CKMXFPERSA-N	832.342	6.825	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Br)cc3)n2C2CCCCC2)cc1	2210544	RRRBUXKNWCKAGY-CVKSISIWSA-N	512.477	5.764	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC3=C2C(=O)CCC3)ccc1O	2210554	NPWUJCYBYKHCQD-QHCPKHFHSA-N	530.433	5.509	50	40	KKGB	
O=C(c1ccccc1)N(NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(F)cc1	2355586	MJMNVYZOQICQAL-UHFFFAOYSA-N	509.364	5.747	50	40	KKGB	
C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c2C(N)=O)C1	2670706	YODBPXHCYZMGAW-AUWXEVLLSA-N	510.959	5.339	50	40	KKGB	
CCN(CC)CCOc1ccc2c(c1)C(=NNC(=O)C13CC4CC(CC(C4)C1)C3)c1cc(OCCN(CC)CC)ccc1-2	8430890	CQKFGPXTBMFACE-UHFFFAOYSA-N	586.821	6.193	50	40	KKGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	59856245	NQSRETZCWLHXBN-UXHLAJHPSA-N	538.456	6.153	50	40	KKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)/C(=C\c3ccc4c(c3)OCO4)NC(=O)c3ccccc3)o2)cc1Cl	97959460	DFTWKDSBPIWLON-FVPSJGGKSA-N	527.964	5.558	50	40	KKGB	
COc1cccc([C@H]2C(C#N)=C(N)N(c3nnc(SCc4ccc(Cl)cc4)s3)C3=C2C(=O)CC(C)(C)C3)c1OC	98006084	UJTAYFMFKXNNIP-QHCPKHFHSA-N	594.162	6.442	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)o2)cc1	100211334	WKCXOOFIYBOGKF-UXHLAJHPSA-N	610.486	5.231	50	40	KKGB	
O=C(CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1nccs1	100234272	INVKBOWRPAQXDO-UHFFFAOYSA-O	529.710	7.587	50	40	KKGB	
CCCCCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	100858383	UQTYGJAZCIGKQN-VQNDASPWSA-N	569.775	7.352	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(Br)cc2)cc1	100989332	XBVJJXRSUSFIEQ-YDYXIROLSA-N	552.881	6.476	50	40	KKGB	
Cc1ccc2nc(-c3ccc(OCC(=O)N/N=C\c4cc5ccccc5nc4Cl)cc3)cc(-c3ccccc3)c2c1	102412202	KUELVAPEPQATIM-QJOVZPHJSA-N	557.053	7.608	50	40	KKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1OCc1ccc(Br)cc1	102933013	HYBJSLAIQZKCRH-MFOYZWKCSA-N	532.221	6.889	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882939	YONQNZKMMUYTNR-NDENLUEZSA-N	605.747	7.244	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12)c1ccco1	112254742	SEVVHESZHCMJQG-FNENFMJGSA-N	556.405	5.553	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	112263936	KCICRYKZZRUJLN-RWPZCVJISA-N	540.414	5.645	50	40	KKGB	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4[nH]3)c2)C[C@@H](C)O1	136203531	CJNBMBXOVCPPPN-ABEUIXMBSA-N	564.671	5.278	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)Cc2ccccc2)cc1	150376847	PMKIEIRPGAQEOK-CAQPMQTCSA-N	636.572	5.156	50	40	KKGB	
O=S(=O)(/N=C1\C(Br)=C(Br)/C(=N/S(=O)(=O)c2ccc(Cl)cc2)[C@H](Br)[C@@H]1Br)c1ccc(Cl)cc1	150402996	UVNNXZBWWIJGNO-ASGIWRRFSA-N	772.944	6.495	50	40	KKGB	
C/C(=N\NC(=O)CN1C(=O)N(c2ccc(Cl)cc2)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C)c1ccc(Cl)c(Cl)c1	150614780	NZCCMQKIUYKQKA-OEXXGIJWSA-N	652.366	7.111	50	40	KKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1	164713375	GMGPSNMTMZFJTJ-AUWJEWJLSA-N	684.053	5.075	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795342	NHDDLXQHNXBKIQ-AOOOYVTPSA-N	830.114	10.651	50	40	KKGB	
Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)C34CC5CC(CC(C5)C3)C4)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)C34CC5CC(CC(C5)C3)C4)c2c1O	226792036	UANDYRVGQCLTCH-BBVZEPAPSA-N	871.088	10.090	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)cc2I)cc1	408542025	JDISJCZUXYTQDV-JMIUGGIZSA-N	621.212	6.546	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)c1ccc(Br)cc1	408580044	MSUFUQXDKARBIJ-SFQUDFHCSA-N	519.214	6.043	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408580868	SEHMENTUFYNYBU-UDWIEESQSA-N	545.398	5.749	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408642240	DTFDHUWNXUZPFW-GHMQEZDJSA-N	794.236	6.139	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O	408648496	WMQLMQGYEGSFSH-LJNUKXPWSA-N	592.306	5.938	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408673773	VBOMUASXFIMCKA-XRGAULLZSA-N	574.191	5.384	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccc(Br)cc2)c1)CCCC3	408732033	OILWRLMVCVIDEM-VYYCAZPPSA-N	521.440	5.161	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1	408747150	JOZMKCKYIQXKGN-KEIPNQJHSA-N	541.047	6.042	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccc2c(c1)OCO2	408754126	PMKUXUZCIPVKSP-LSCVHKIXSA-N	647.263	6.306	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	408757095	WPNKTUKLZSFDMV-HAHDFKILSA-N	544.424	7.120	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2cccc(C(F)(F)F)c2)cc1	408776465	ZOMQIAHWIVUFQQ-VFLNYLIXSA-N	544.382	5.666	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408789104	NYZKYLPMPCLGIB-WOJGMQOQSA-N	514.750	6.069	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCC(=O)O	408791400	XDBSDFHCBMPQEM-UDWIEESQSA-N	551.393	5.436	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408796036	OCTKZAQDCQBFAR-LZYBPNLTSA-N	622.188	6.226	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C)c(C)c3)c(OCC)c2)cc1	408799814	LLZXSSQIVUTEOI-ZVHZXABRSA-N	624.475	6.608	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408801820	BZZFLPIUGWVGAY-KKJJZKEWSA-N	570.281	6.584	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408815993	KBOPPRLMHBBIHV-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)cc(I)c1OCc1ccc(Br)cc1	408817598	WHXSFYOVPLWDII-WOJGMQOQSA-N	599.263	5.091	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccccc1F	408819823	SBCMDUKCMDWGOP-SXGWCWSVSA-N	750.087	6.764	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(C)(=O)=O)cc1Cl	408826007	BYMQSKJOWXXTCB-KKMKTNMSSA-N	541.888	5.279	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408830285	NVDZSBZOWQUJMC-WCMJOSRZSA-N	570.498	6.358	50	40	KKGB	
CC(C)C(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408835290	XBESDVUHUJYMCJ-KKMKTNMSSA-N	542.872	5.737	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4sccn34)o2)cc1	408837368	DFJHOHAWBQZLIX-CPDSRJINSA-N	616.552	6.067	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839344	QWVCNIZTZNVGCX-PTEHHBOZSA-N	869.748	9.522	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl	408844608	VQOQNVBQNGJBLI-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccc(Br)cc3/C=N/NC(=O)c3ccc(NC(=O)/C=C/c4ccccc4)cc3)sc2c1	408846996	SDXINRAYHGOAJV-VTVRWMQASA-N	672.988	8.261	50	40	KKGB	
CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br	408854846	AFXDDJYXBPWZBK-LQNQUEJISA-N	536.857	7.031	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1	408861598	DISMKAIORPIORS-HNSNBQBZSA-N	621.115	5.020	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c2cc(Cl)cc(Cl)c2)cc1	408864026	WKTGYFUYVSOCME-WCMJOSRZSA-N	606.528	5.368	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408871127	XVXDQDBRMRRVFK-WKULSOCRSA-N	557.459	5.204	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(Br)c1OCc1ccc(Br)cc1	408876779	NROIRXICRFRDRG-ZMFRSBBQSA-N	533.220	5.348	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1Cl	408880434	HTRMKLPNLXZKPM-VCHYOVAHSA-N	626.800	7.487	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1Br	408894959	LFQUFSFLVXGVMD-DEDYPNTBSA-N	540.255	6.899	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OCc1ccccc1C	408925041	SEPCWSNDIAFAPU-MZJWZYIUSA-N	593.259	6.104	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2ccc(C(=O)OCC)cc2)ccc2ccccc12	408943507	HRCCZGSCKKBAIY-UUWRZZSWSA-N	680.783	5.481	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(OC)c1	408956256	QEOIUGVKJYKINL-FAQSDZBQSA-N	641.508	5.301	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408958593	ZIFCTOBETNBOJF-NAWMDJKCSA-N	710.398	6.608	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c(F)c1	408968532	WTLVPPVZSUVMQL-IPBVOBEMSA-N	565.624	6.219	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408972361	RVYSIAABZOHIEX-ZTUJDWAQSA-N	664.368	5.844	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc2c(c1)OCO2	408981813	CRWLIOWGIWXFAH-DJKKODMXSA-N	525.388	6.554	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408981916	DQSCYHZCHDANEX-LSCVHKIXSA-N	556.800	6.452	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409006545	OTTWEVRFBQAQKA-ATZGPIRCSA-N	616.954	6.567	50	40	KKGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	409012522	IOEZHZUQAHKTFV-ROIUGHQGSA-N	540.447	5.203	50	40	KKGB	
CCn1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1C	409012836	LJRGDOFHHQFZOQ-ZVBGSRNCSA-N	514.161	5.002	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)ccc1OCC(=O)Nc1ccccc1C	409018166	XYDOVROCMQVOGX-NUJZUDFISA-N	619.310	5.465	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	409025696	YWBSXKXSEZKFCW-YIMFCOJYSA-N	622.143	6.415	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	409033179	NIHYCPPFUVEFFH-ATZGPIRCSA-N	615.871	7.569	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4c(OCc5ccc(Br)cc5)ccc5ccccc45)cc3)cs2)cc1	409039071	WDYOEGPNNYEYTP-HASSKWOGSA-N	647.598	9.121	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1	409040542	GOLVERQCENLFSL-VCHYOVAHSA-N	514.173	6.763	50	40	KKGB	
O=C(N/N=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1cc(-c2ccccc2)nc2ccccc12	409040870	INUIZBRAFAKXLM-OHUYPAJKSA-N	526.423	7.552	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1ccccc1	409053930	DSSDKFMPNNDDRI-WOJGMQOQSA-N	635.380	6.272	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1	409054863	GXSPCAFEZIHYFG-WOJGMQOQSA-N	545.400	5.402	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409077156	DDEXBYKOWCCPAW-BCHBDCPOSA-N	542.644	6.761	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cccc(Br)c1	409081884	QWRIWGWMMPNDMF-RAWMCFOBSA-N	679.065	6.140	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409126098	NVSJSTOMFDSTJN-VWLOTQADSA-N	526.464	5.955	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3Cl)c(OCC)c2)cc1	409150788	DWYZPEGYWOQTBA-WCMJOSRZSA-N	678.911	5.238	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCC(=O)Nc4ccc(C)cc4)cc3Br)cc2c1	409187261	ODGNCKQLHOQQFD-MNDYBZJGSA-N	580.435	5.692	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)cc2c1	409187688	TWDNSFICAGGXFD-MUXKCCDJSA-N	615.380	5.696	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409208835	CJDNGBKGHYBBNP-OCKHKDLRSA-N	539.183	6.635	50	40	KKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cccc1[N+](=O)[O-]	409217905	FRBRYZXACHHMGG-SSRGMKESSA-N	558.934	5.476	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409220138	YOLULBAKHNRFNP-UVHMKAGCSA-N	578.872	6.231	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC	409223629	HIURHZBJJNPGOU-YWIXHUCLSA-N	624.606	5.256	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	409254154	DIDVNPIJPOJBAS-YBEGLDIGSA-N	511.321	5.465	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1C	409273496	YOERVQBRBRZMNW-NVJOKUIPSA-N	638.154	6.372	50	40	KKGB	
CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1	409331779	HUMLCCLUNAKLPM-GOSISDBHSA-N	502.409	5.170	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	409332600	HJNFTBFQDWVBAD-FZPRHHONSA-N	622.903	6.472	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409360449	QBUWMKPIBUKNFX-XODNFHPESA-N	653.271	5.502	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409361701	DBBBWOOKJGDMOP-MWLSYYOVSA-N	529.862	6.335	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409362681	SJDHCMDAPAKKMY-DICXZTSXSA-N	526.387	5.336	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(OC)c1	409372796	KPPCKTHMPGPCRT-FJEPWZHXSA-N	537.385	6.102	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4cccc5ccccc45)c(Br)c3)[nH]c2c1	409374618	VCUPVTSZHMPUCR-MTJSOVHGSA-N	573.288	8.193	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)cc1	409382782	OXBXBZMFYWGEBY-BOPFTXTBSA-N	540.801	5.674	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(OC)cc2)cc1	409386864	OACQENYPDKXCNG-XMHGGMMESA-N	550.409	5.420	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1cccc(C)c1	409387915	YJECMXHRDAEKEF-UVHMKAGCSA-N	554.422	6.232	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)cc1	409395081	JPCIEYCAPDHPLJ-UHFFFAOYSA-N	501.586	6.743	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409395970	URKQNQJDNOTOKZ-UHFFFAOYSA-N	556.937	6.519	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397565	LIERCIBCHJGIQW-UHFFFAOYSA-N	611.054	6.275	50	40	KKGB	
Cc1ccc(NC(=O)COc2cc(N(C)C)ccc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409400413	CVZZBJNKDDMUJM-DBSPGSINSA-N	619.722	6.422	50	40	KKGB	
COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409401486	HEPIBZYESBJYIA-GYDRZMFUSA-N	595.008	5.532	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(F)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1737719	YBADYSQSMWNDAZ-OCSSWDANSA-N	501.631	5.922	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	1869129	PBNKVQXGYFIKHH-KVSWJAHQSA-N	551.286	6.790	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)ccc1OCc1ccccc1	2553742	IBSVTAKBSLHZII-LPYMAVHISA-N	516.022	6.521	50	40	KKGB	
CC(/C=N/NC(=O)CNc1cc(Br)c(C)c(Br)c1)=C\c1ccc(C(C)C)cc1	3202600	JMJOZYZHXMTKPU-HHFYFCIWSA-N	507.270	6.261	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)C3=C2CCCC3=O)sc2c1CCCCC2	3666027	PYCPEORLUHYKRF-QFIPXVFZSA-N	518.595	5.017	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)[C@@H]2c2ccc3c(c2)OCO3)N=C(N)c2c1sc1c2CCCCC1	3669707	JHFKLDORTPUTNT-QHCPKHFHSA-N	512.635	5.447	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(CC)cc3)cc2)sc(C)c1C	6167386	TWODDKOUSNMJNA-IUUQDGFPSA-N	521.639	5.274	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	20348480	FQBNTOQLHLSZFZ-DEOSSOPVSA-N	510.015	5.146	50	40	KKGB	
CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2cccc3ccccc23)c2ccccc21	46084987	LUALVEMSQMXZNT-NMSHJFGGSA-N	521.617	5.855	50	40	KKGB	
CN1C(=O)C(C#N)=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O	97946868	SGWQNGDDJDXSCM-YQYKVWLJSA-N	562.629	6.478	50	40	KKGB	
O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N/N=C\c1ccc(Br)cc1	97966470	YRMTVFUTPRCBHT-OHUYPAJKSA-N	570.874	7.514	50	40	KKGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)C(C(=O)Nc3ccccc3OC)=C(C)N2)c1	97986449	UQKSKSFLIRDGKA-MUUNZHRXSA-N	558.635	5.549	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)c(Br)o2)cc1	100047152	IYRWYBINPYEUBO-JZQIKYGTSA-N	588.300	5.572	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1	100221037	MRTCPSCUKNPSJX-OCSSWDANSA-N	572.470	5.998	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	100287807	XUYAWTPYPHHCOR-WCMJOSRZSA-N	593.061	5.163	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC	100317556	BGMANTAYMJXCKR-UVHMKAGCSA-N	547.789	5.111	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1	100859232	OEYRXAYCJXXPOY-UXHLAJHPSA-N	535.069	5.851	50	40	KKGB	
Cc1ccc(Cl)c(NC(=O)CS/C(Nc2cccc(Cl)c2C)=C(\C#N)c2nc3ccccc3s2)c1Cl	102931709	IAGJSYNYEWZDEQ-PCLIKHOPSA-N	573.958	8.550	50	40	KKGB	
C[P@](=O)(c1ccccc1)c1ccccc1OCCCOCCCOc1ccccc1[P@@](C)(=O)c1ccccc1	104224880	HOBMYPYHLJBWRH-YDAXCOIMSA-N	562.583	5.829	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1	105436659	JIQLPCMTWACZDF-PPOKSSTKSA-N	579.678	5.773	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(I)c1OCc1ccc(Cl)cc1	110409861	QBULDWOIZNMBCD-ZMFRSBBQSA-N	550.780	5.392	50	40	KKGB	
CCOC(=O)[C@H](CC(C)C)NC(=O)c1c2c(c(C)c3oc(=O)c(C)nc13)Oc1c(c(C(=O)N[C@H](CC(C)C)C(=O)OCC)cc(Br)c1C(Br)Br)N2	150383050	MYIYHVKPWUTACV-RTWAWAEBSA-N	901.444	7.620	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1)S(=O)(=O)c1ccccc1	150385309	HLVTUEAPLGYJBO-CHSHITCJSA-N	680.057	8.522	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccc(Br)cc1	150420742	UXTZIVYRXFZZEB-KBKYJPHKSA-N	660.100	5.873	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccccc1	408540301	PTJCVGCZHNKDJK-QMRORBIVSA-N	613.430	7.398	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)c(C#N)c1C	408547193	UKXRTYLMNDKOKA-FSJBWODESA-N	629.532	7.327	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccc2ccccc2c1	408549284	RXYFFPSBCBVERV-YVNNLAQVSA-N	658.233	7.600	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	408569942	RDZDKHZDBUMSDK-KBVAKVRCSA-N	593.568	7.189	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408570359	UHHFYQSPRPAFIY-JMIUGGIZSA-N	671.251	7.708	50	40	KKGB	
CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Br)cc1	408601481	BBQFPTMLWVLHLS-HXUWFJFHSA-N	538.442	5.231	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408650205	ZWBPXMRYMHEPGR-XGBLFZJKSA-N	645.175	5.852	50	40	KKGB	
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)cc2)c1	408664535	CFCQKRTVYXNFLT-UHFFFAOYSA-N	552.027	5.287	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)C(C)(C)C)cc1	408718496	ZSODCBKZGKBLNJ-VULFUBBASA-N	502.409	5.149	50	40	KKGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3cccc(C)c3)n2)c1	408724972	NHZDXBQFCKIRKC-QNKGDIEWSA-N	516.601	6.296	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)ccc1I	408747321	MCGZGKXSXIFKSE-VTNSRFBWSA-N	604.448	5.922	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)C(O)(c1ccccc1)c1ccccc1	408749144	DTKFEYKZPJSSKD-MNBJERMJSA-N	580.397	5.396	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408753200	FDIULPLUHJROES-XSFVSMFZSA-N	540.498	5.579	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)cc1	408754805	RZWGHAGMZQLSNE-RGEXLXHISA-N	537.357	5.163	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccccc1	408757470	XHHCJUJBDOXKLF-BKUYFWCQSA-N	552.266	7.065	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1cccc2ccccc12	408764252	SOIKEQXCOIPAMT-FNTLCPBMSA-N	580.769	8.201	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(F)cc1	408789653	QPPGJWRTQMRKSJ-LICLKQGHSA-N	562.766	6.217	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(I)cc2)c1	408792345	AQYYBGZFNTZWJW-UDWIEESQSA-N	587.255	6.795	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc2ccccc2c1	408793643	FTYRTRYHJPMRRD-BUVRLJJBSA-N	574.418	6.968	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(C(=O)O)cc1	408795241	LSVMJAUQKKDPAI-WSDLNYQXSA-N	596.421	6.130	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc(C)c1	408796296	OSLYSFDWJJVRBH-RGVLZGJSSA-N	536.382	6.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(F)cc1	408798633	WLFBSMBFRYZCEM-CIAFOILYSA-N	570.402	6.571	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)c1	408798736	WTQGTKZTUNAHMH-ZMOGYAJESA-N	590.315	8.106	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2c(C)ccc3ccccc23)cc1	408799855	INTOVYHFZIVDPT-HZHRSRAPSA-N	511.419	7.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1c(C)ccc2ccccc12	408805948	CWSYPKOBZJNVJN-MWAVMZGNSA-N	568.673	8.251	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	408834668	WUVJCNOSPRSHNQ-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)c1	408838249	CYYJZCONFCJAHD-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(=O)(=O)c1ccccc1	408857399	GFDAVFDCEVTFDA-BIZUNTBRSA-N	558.704	5.374	50	40	KKGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408860695	CDDYJIQYSRNPBH-ALQBTCKLSA-N	610.614	5.069	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408863534	NGMSSGMBFBPEPG-UZWMFBFFSA-N	557.672	5.237	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408870967	WIFXQYXUJXQNGP-SRZZPIQSSA-N	551.983	5.466	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)cc1	408878415	BDUHYDJFSCNWOB-SFQUDFHCSA-N	515.360	5.210	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(I)c1OCc1cccc2ccccc12	408879019	CHBNCRLWNCOARO-LPYMAVHISA-N	649.441	6.885	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OCc1ccccc1Cl	408881631	LSRLMXIJXWNTRF-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])cc2OC)cc1	408885545	BRMPZLZNQGGDCZ-LICLKQGHSA-N	537.912	5.039	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OC(=O)c1ccc(OC)cc1	408887153	OKUKFUXMTLFNOW-WOJGMQOQSA-N	647.263	6.226	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OC(=O)c1cccc2ccccc12	408899496	PVOLUVRCZBZFBJ-MUFRIFMGSA-N	527.627	5.920	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408904978	RJNQDWLKRVHWQR-FXMZOFOKSA-N	593.217	6.762	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408908843	DLIFUIMIFCYFSR-FADJLKOXSA-N	564.638	5.477	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	408945339	KMJPQXKQPVFHCX-HHHXNRCGSA-N	751.443	6.128	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)c(OC)c1	408951923	JHCYXVKHZQHZNX-PDQWDMBESA-N	821.419	5.060	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408953251	XFKGZNPIVIOZEF-MHZLTWQESA-N	716.998	5.475	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	408973347	YNVNLNKADQGPBQ-FAILIVOPSA-N	689.423	7.533	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408974107	XHGOKEZPJNVWAM-FFIGWLAPSA-N	558.462	5.046	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)c1	408992425	RVFYJCNKXYJQDN-LICLKQGHSA-N	531.575	6.426	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c(O)ccc2ccccc12	409015154	OABNMYRHILTABR-STXQRMBJSA-N	516.425	5.301	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(I)c1OCC(=O)Nc1ccccc1	409016946	UKNVJBKJDFOPHQ-VVEOGCPPSA-N	788.174	6.585	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409047228	NLZOCLQVRZITAP-FYJGNVAPSA-N	639.446	5.348	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409048786	XFPZHZTVPJISKC-NKHVPTTDSA-N	595.313	8.858	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1cccc(Cl)c1	409143863	NTRORAUTSDXMPH-NRFANRHFSA-N	515.791	5.505	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1	409174984	XCHGWJCVFNIKPU-KVSWJAHQSA-N	533.799	5.062	50	40	KKGB	
COc1cccc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c1OCc1ccc(C(=O)O)cc1	409186559	DTPHUKAMZNCGKY-IPBVOBEMSA-N	537.783	5.462	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCC)c(I)c3)cc2c1	409188223	XNXTXAYNYPYELY-KSEXSDGBSA-N	604.182	5.203	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409221404	PVWUYQHIEGRJKL-IMQIKVDYSA-N	522.630	6.938	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1	409223706	HYCFPOCYVNYAPL-MWLSYYOVSA-N	517.925	5.177	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)c2)cc(OC)c1OC	409226442	WFLRPJKRKJUYAV-UHFFFAOYSA-N	646.494	6.019	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC	409310073	PVQGFUCJWBYDIP-LPEPFOFCSA-N	687.263	7.658	50	40	KKGB	
CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1Br	409310589	VYAOYGKWBAVVBL-FMCGGJTJSA-N	514.214	5.172	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OCC	409316278	YHDPACSZYVDQGT-LQNQUEJISA-N	555.469	6.297	50	40	KKGB	
CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Cl	409323527	PSXUWNLCWYYEGZ-MWLSYYOVSA-N	501.410	6.524	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)ccc1OC	409325031	WRWVRDFLKDSQOD-NUJZUDFISA-N	574.859	5.600	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Br	409373526	QBZQIMDWAGXPFU-DHRITJCHSA-N	516.189	5.149	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(OC)c(OCc4ccc(Cl)cc4Cl)cc3Br)[nH]c2c1	409393655	YVDLVOOSTJOZRI-APSNUPSMSA-N	559.247	7.293	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409395013	IVDZWNNGDREAEM-UHFFFAOYSA-N	774.691	9.158	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397173	HBZXKYDOHSHVIT-UHFFFAOYSA-N	643.450	6.506	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)o2)cc1	409406061	VXSVYGIVFGQOSH-RODHXAHZSA-N	622.936	8.569	50	40	KKGB	
COc1ccccc1Cc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12	675083008	YYQXGGFUDQAZIK-UHFFFAOYSA-N	558.661	9.018	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2cccc(Cl)c2)c(OC)c1	1529548453	GSULZHZJZUZJLK-LNZKYNOCSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(Cc2ccc(F)cc2)c2ccccc12	1529548520	IDSSYZNFCDKEPB-KCSCOJLBSA-N	613.715	5.022	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1	1529549396	XRYIZEWGJJIFDI-OGEPBOSOSA-N	651.185	5.511	50	40	KKGB	
COc1ccc(Br)c(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)c1	2166002	SFUGYBPCRCKGBC-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C2\C(=O)Nc3c(Br)cc(Br)cc32)c1Br	4017832	WBWVIQDUOHCGQS-UHFFFAOYSA-N	666.990	6.020	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	8857443	JTGVKVKUYFBDQA-VWLOTQADSA-N	516.026	5.442	50	40	KKGB	
COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3cccc(Cl)c3C)CSC2=C1C#N	9693453	CPNJGXYYWJNFNR-OAHLLOKOSA-N	504.837	5.639	50	40	KKGB	
N#C/C(=C(/C=C(\CC(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1	12340818	LRFDSPRXRVHFMM-BQYHVMRESA-N	504.973	8.039	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1c2ccccc2cc2ccccc12	51075728	VXUHUKRCUZXVPW-OHUYPAJKSA-N	535.072	7.287	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccc(C)cc2)cc1Br	59856983	MOKTYJWBZPURMP-STBIYBPSSA-N	566.477	5.265	50	40	KKGB	
O=C1OC(=O)c2cc(Oc3ccccc3-n3c(=O)c4cc5c(=O)n(-c6ccccc6Oc6ccc7c(c6)C(=O)OC7=O)c(=O)c5c(C(=O)c5ccccc5)c4c3=O)ccc21	98001509	IFKAKPQFTZQQGG-UHFFFAOYSA-N	796.656	5.328	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	100123904	YFQLVMHNVUAPBM-OCSSWDANSA-N	555.487	5.747	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1	100351372	HYOPZUATOMALJM-OJYCWLPVSA-N	612.674	5.505	50	40	KKGB	
COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@]4(C)CC(C#N)=C(O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2	100454168	IVZDMJHGZKCMBW-BRCPUVQUSA-N	507.715	7.086	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	100871047	GVRLVBMAUNBCLC-LQKURTRISA-N	526.449	5.882	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccc(Cl)cc3)=C(C)N2)cc1	101572269	MGINRSBARYPNDG-MHZLTWQESA-N	564.494	6.953	50	40	KKGB	
N#CC1=C(S)N[C@@](O)(C23CC4CC(CC(C4)C2)C3)[C@H]([n+]2ccc3ccccc3c2)[C@H]1c1ccc(Cl)c(Cl)c1	102611193	UETOMYZMPXKZIT-HGXZNTSESA-O	563.574	6.932	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccc(OC)cc3OC)=C(C#N)[C@@H]2c2ccco2)cc1	102808265	AUJXPDXJTKMVQX-MUUNZHRXSA-N	574.659	5.402	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1	103868729	AFDDGRKANBVCHA-PLRJNAJWSA-N	578.738	7.540	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc2ccccc12	103884020	BLHAPJXWFHVNHX-DIBXZPPDSA-N	552.074	6.727	50	40	KKGB	
CNc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I	103889096	WFOBCWHVNLCSLK-YHYXMXQVSA-N	598.009	5.790	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(=O)c5ccccc5)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(O)C1	118914091	TZBBEXALLZOART-CFTKHGSMSA-N	533.503	5.675	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Br)c3)o2)cc1	150386675	JWJRDFFSQTWXHK-CNCDYAKUSA-N	678.392	6.137	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(=O)(=O)c1ccccc1	162481837	PLRIAKVQQXIVFA-KVAAJVFYSA-N	707.430	6.698	50	40	KKGB	
COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)CC2	254169243	WPTTVJLTNAWYAO-CBFOJVGPSA-N	505.699	6.379	50	40	KKGB	
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1C	408648717	KDAUBTVVXIMDAL-YIMZLLHESA-N	657.186	5.628	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)ccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408651970	CSYUGWUGINQCFP-XANBVDNWSA-N	666.366	5.389	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408676188	GSTVEODYHRLRCG-LQKURTRISA-N	553.413	5.309	50	40	KKGB	
CC(C)(C)N(C=C(Cl)Cl)C(=O)N/N=C(\COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1	408734141	LQGKWJZMOPVTHQ-DNGXXSEMSA-N	554.562	8.024	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1	408742774	CABYFJGHDFTDOE-UYRXBGFRSA-N	558.803	6.468	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408747098	ZLMZWOWMFINIOO-STZFKDTASA-N	564.810	7.222	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccccc1Br	408751537	VCERTJWIJWHJBQ-OKCVXOCRSA-N	552.925	7.566	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408754143	MDJHUYYFDNPVEP-RVDMUPIBSA-N	548.360	5.224	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1	408779476	XGARPEQBUAKCTI-BOPFTXTBSA-N	515.875	7.167	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(I)cc1	408792162	IXGWPPJYKAVCKO-RQZCQDPDSA-N	579.221	6.731	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408793733	GBZZHCHHFPIBIH-RQZCQDPDSA-N	572.209	5.740	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccc(Cl)cc1	408797202	QIIZPFURJIEGOM-PCLIKHOPSA-N	501.026	7.209	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c1	408797934	UKZBXHNGEHRUFZ-QGMBQPNBSA-N	609.145	8.260	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408802938	JJHSGQFADHEMIK-FYJGNVAPSA-N	653.314	7.649	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)c2cccc(Br)c2)c1Cl	408813965	GGBSCUFRPSUHOM-GXDHUFHOSA-N	506.183	7.333	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1)S(=O)(=O)c1ccccc1	408825914	BJIRRBTYRMTXEU-QXUDOOCXSA-N	666.594	6.089	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408828843	JRGMCADVFVPJON-JBFMKSPFSA-N	567.733	7.637	50	40	KKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408831551	PPVQVZDEULPOQP-XQNSMLJCSA-N	608.319	8.460	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(Cl)cc1	408831947	HWMSZQXWSMMWKR-OEAKJJBVSA-N	593.894	8.359	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	408839870	BBTHKOZSMLIFSX-KVSWJAHQSA-N	504.921	6.512	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl	408840364	FIUDZSKZIGBWGJ-CCVNUDIWSA-N	535.497	5.441	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br	408842717	ATTZZRNNHIZGFE-RMORIDSASA-N	512.585	5.940	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408854618	JIXCVICTBFYDJI-VYYCAZPPSA-N	538.354	5.845	50	40	KKGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)c1	408867462	KZWBMKSOEQSFTJ-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1Cc1ccccc1Cl	408878018	YVZIBLZZLMZRJB-VXLYETTFSA-N	591.276	7.442	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1Cc1cc(C)cc(C)c1	408883598	QJIWLRWQNRHEFE-SSDVNMTOSA-N	584.885	7.405	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1Cc1ccccc1Cl	408883678	RUNHZPPYXDBWDJ-RGVLZGJSSA-N	509.831	6.864	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12	408894431	IBQOJJUJGSHSGB-HPNXWYHWSA-N	609.520	6.966	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OCc1ccccc1Cl	408896610	OSTPQEHNTUGDFF-RQZCQDPDSA-N	536.242	7.824	50	40	KKGB	
Cc1cccc(NC(=O)Cn2cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)c3ccccc32)c1	408904765	OHXQJRGQEUHRQR-MUXKCCDJSA-N	518.415	5.815	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(C)cc2)cc1	408908113	TYEOZZZLUFJYTJ-BIZUNTBRSA-N	578.090	5.582	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	408923505	IZNJTLNNRUUHKH-LQKURTRISA-N	547.683	5.768	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)c(OC)c1	408954334	NKCRCYMXYVMBGR-QDJKUCHDSA-N	622.678	5.148	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)c(OC)c1	408956243	QARUTDYZGNHKIH-WLCOTJRJSA-N	736.019	6.563	50	40	KKGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408973269	YAGBHEMJQDRBAR-OFGWUUMASA-N	516.425	5.622	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1	408978275	HQLHBOZKSGDTJF-HIYJYGDOSA-N	586.486	6.048	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408982442	XXFNTIPRXIOYBR-RLBGMPNZSA-N	556.460	6.040	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccccc2)c1	409006868	RLAZYDXENSDUQL-ZOPYZSIGSA-N	504.542	5.597	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)CSc2nc(C)cc(COC)c2C#N)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008658	ZJKWKVAVRSWHCS-MDCVPAOJSA-N	681.859	6.535	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409034276	QDTZIVJSFRIAIU-KULFSUQXSA-N	743.454	9.207	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409042004	WVRFKJOQRFAEQY-OHUYPAJKSA-N	570.874	7.661	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	409047047	MHFJLSLNRMEDFN-LZYBPNLTSA-N	591.643	6.898	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OS(=O)(=O)c1ccccc1	409069299	IJOFCZHTOOONHB-XDHOZWIPSA-N	541.423	5.388	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409069350	KMYXCMVHYWBWCC-XSFVSMFZSA-N	557.455	6.434	50	40	KKGB	
Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1	409164441	INCWRDJTZLBKGR-PNQUVVCRSA-N	606.304	5.787	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	409176729	WBVWHZSSFDNVLZ-AIQSHKMISA-N	606.638	5.644	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409220285	WEUFYKHGOCLUPA-FYJGNVAPSA-N	547.995	5.397	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409226004	RDRQPALACZLCLC-LICLKQGHSA-N	578.374	6.974	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OC)c1OCc1ccc(Br)cc1	409246947	LNZWZHBQOQSING-MWLSYYOVSA-N	511.391	5.597	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccccc5Cl)cc4)cc3)cs2)cc1	409257191	OUJTYAWDRDDCBP-HQDYHJHZSA-N	596.112	7.297	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccccc1Cl	409263817	OKPNRYYRCQKJFE-MHWRWJLKSA-N	622.246	6.170	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)ccc1OCc1ccccc1	409309573	JEHVRXCTSLZJGB-HQDYHJHZSA-N	623.931	7.432	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409312500	LUOWHGFKCSTCKR-ULPWCQAASA-N	553.877	5.849	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3cccc(C(F)(F)F)c3)[C@@H](OC(=O)c3cccc(C(F)(F)F)c3)C(=O)O)cc2)c1	409370283	ODFLTXNRFNFLDD-RRPNLBNLSA-N	745.585	5.582	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384489	CNTJTBWEXAOOMM-RPPGKUMJSA-N	591.814	6.410	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386144	ONPWBTZJIRPXLI-LUOAPIJWSA-N	534.808	7.113	50	40	KKGB	
COc1ccc(Br)c2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409394917	HKYUEEWYYRKMGP-UHFFFAOYSA-N	613.424	6.497	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(I)cccc4c3-c3ccccc3Cl)cc2OC)c1	409396987	DRIGHAIFTKEMJL-UHFFFAOYSA-N	679.898	7.093	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409397706	NBMIIJHQAYBSED-UHFFFAOYSA-N	517.585	6.443	50	40	KKGB	
C#CCOc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409401214	GWAVJBJOFIEFAF-ZMGVVAQMSA-N	610.892	6.467	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4cccc5ccccc45)ccc4ccccc34)o2)cc1	409405101	SCKPWCCKDJQZFA-TZRCHIKKSA-N	619.721	8.915	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OCC)c1	1529548962	QZDIDPABKPSMEW-IZQZZFRNSA-N	807.505	5.916	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	1529549007	RVMVZUKIYWQKJO-IRWRTZFPSA-N	661.995	6.111	50	40	KKGB	
Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C1C[C@H](c1ccccc1)CC2=O	2090581	MHUFIIFMKGFAPL-XRHLQHRESA-N	545.426	6.909	50	40	KKGB	
CCCCOc1ccc(-c2cc(C(=O)N/N=C(/C=C/c3ccc4c(c3)OCO4)c3ccc(OC)cc3)c3ccccc3n2)cc1	2109239	MKLYJUKXGJVEGU-QHJDPQPYSA-N	599.687	7.666	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	9262727	UYVBADUFXWFGEJ-CJLVFECKSA-N	524.646	6.103	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	12250174	NVBXCJBTNMXLBE-MHZLTWQESA-N	526.662	6.220	50	40	KKGB	
CCOC(=O)NC(=O)/C(C#N)=C/Nc1cc(C(F)(F)F)ccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	12860009	HMALZPTWSXAQEG-WYMLVPIESA-N	590.912	5.191	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1	19828947	LRLMXIVZOPYVRE-RDRPBHBLSA-N	522.026	5.238	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)cc1C	19949420	MSGOLASPDGCBKX-UZWMFBFFSA-N	521.642	5.955	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccco1	20348567	JACGDESHDYVFIJ-OAQYLSRUSA-N	504.395	5.383	50	40	KKGB	
CCOC(=O)c1ccc(/N=C(O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1	97968946	ZGOSOKSXNUFIOM-MIXNUDJGSA-N	566.466	6.885	50	40	KKGB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21C(C#N)=C(N)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C1C(=O)CC(C)(C)C2	98007286	OXIKDZYATZXFPT-GDLZYMKVSA-N	657.143	6.858	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(Cl)cc3Cl)=C(C)N2)cc1	98048624	PJBHQQIKVVUMJC-AREMUKBSSA-N	611.507	6.470	50	40	KKGB	
Cc1ccc(C)c(NC(=O)CS/C(NC(=O)c2ccccc2)=C(\C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)c1	100101454	FZTNSNQBOTUCLA-BNRUPHNUSA-N	608.163	7.851	50	40	KKGB	
Cc1cc(CN2CCOCC2)c(C)c([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3Cl)C3=C2C(=O)CC(C)(C)C3)c1	100250951	CCSMSNZNMKRMTQ-NDEPHWFRSA-N	565.545	6.383	50	40	KKGB	
COc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C(=O)O)cc2)NC(C)=C1C(=O)Nc1ccccc1C	101087318	JRBCXURJNPMXPN-NDEPHWFRSA-N	568.655	5.408	50	40	KKGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	103149764	JTLLNUKUMBGLRS-NJZRLIGZSA-N	577.062	6.106	50	40	KKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2	103694225	XBDIGIHTWSOLNI-ZHZULCJRSA-N	527.631	5.884	50	40	KKGB	
CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4s3)c3cc(Br)ccc32)C1	103868070	DKWPGJMSMAYPOR-VLZXYUALSA-N	612.619	5.876	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1	103890777	NEUDRPPOPOZSDQ-MOSHPQCFSA-N	542.260	7.609	50	40	KKGB	
Cc1ccccc1NC(=O)CC(=O)NN[C@H](Sc1ccccc1)c1cc(/N=N\c2ccc(Br)cc2)ccc1O	104303882	QZOIWWKNCPHBQV-KLBADHAUSA-N	604.530	7.319	50	40	KKGB	
COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccccc1)=N/NC(=O)c1cc(Br)ccc1O	104316779	RVGGVEVUGOGKTO-UTMIZZEPSA-N	574.439	5.673	50	40	KKGB	
C[C@H](S[C@@H](C)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)N/N=C\c1ccc(Cl)c(Cl)c1	104379560	UHGXATLARCOQTN-AJVAHUTHSA-N	520.269	5.411	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	105627088	LUNPMAZPKCCNEH-OHUYPAJKSA-N	576.436	6.628	50	40	KKGB	
Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)NNC(=O)c3ccc(Cl)c(S(=O)(=O)NCc4ccco4)c3)c12	150452447	RJSOHYZUSCMRHV-UHFFFAOYSA-N	647.138	5.257	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccccc1Br	164576979	OXYGUBCPULEPEI-YPXUMCKCSA-N	729.965	7.308	50	40	KKGB	
CCO[Si](CCCCCCCCCCCOC(=O)c1ccccc1C(=O)c1ccccc1)(OCC)OCC	198065980	DEXOVTXANVYJMT-UHFFFAOYSA-N	542.789	7.634	50	40	KKGB	
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2CN[C@H]2CCCC[C@@H]2NCc2ccccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1	217812568	MSMDOMIGNDRBFG-WLTNIFSVSA-N	775.014	9.861	50	40	KKGB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\Nc1nc2ccc(SC#N)cc2s1	408527491	FWUBWYMKAHPVBS-IWIPYMOSSA-N	525.703	7.056	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1I	408588163	IDKOVMKOZUSESO-FSJBWODESA-N	522.184	5.225	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408654913	QZQIMOHQKVZFPR-BRORTUQTSA-N	661.944	7.262	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408664010	YNRWGJKDMPQHBK-UCEGJLSESA-N	531.823	5.038	50	40	KKGB	
O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1ccccc1	408686499	SQNWCKGFOFGLEI-BDYUSTAISA-N	573.399	6.392	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCc4ccc(Br)cc4)cc3)nn2-c2ccccc2C)cc1	408724000	BYPPGWPZQSOQTA-QXUDOOCXSA-N	579.498	7.262	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408724497	AOXYOBBAWJATHE-UNOMPAQXSA-N	588.829	6.477	50	40	KKGB	
CCCC/C(C)=N/NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1	408726234	ARIHKGTYRDHLGW-XHLNEMQHSA-N	512.075	6.340	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2C#N)c(I)c1	408742803	CBPYIZKSDZWDOH-JMIUGGIZSA-N	598.238	6.358	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1	408745237	QNCIUPRSEFHEEF-WQRHYEAKSA-N	621.244	6.716	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(I)cc1	408758570	MVIFBHTXFQXKKX-WJDWOHSUSA-N	563.178	6.363	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408763070	RCDCYPYSGIKAEE-HAHDFKILSA-N	560.879	7.635	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	408766472	RCXFJKFYQPPMFE-CPNJWEJPSA-N	588.423	5.312	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1cccc(F)c1	408791733	BQWKJWYZSOJYNL-GIJQJNRQSA-N	529.793	6.683	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)cc1	408794906	JOUUNDIKGJSJQI-CIAFOILYSA-N	598.291	6.821	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408795287	LXNCXJBZYBDUPF-LZYBPNLTSA-N	503.769	6.486	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408800688	ONDSJXMTJYNHER-HYARGMPZSA-N	512.993	7.031	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408803883	UJWUCPQVZSJFLZ-CPNJWEJPSA-N	518.356	7.179	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1	408804814	ZLVCSULYESKYBS-FYJGNVAPSA-N	570.281	6.065	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1c(C)ccc2ccccc12	408808364	FTVIKKKZFPFFRN-WSDLNYQXSA-N	622.890	7.848	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cccc(Br)c2)cc1	408826546	DTESCRYEMUEAHJ-FDAWAROLSA-N	637.512	5.590	50	40	KKGB	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408839385	RMLRFFMBNGTHNH-UHFFFAOYSA-N	574.898	7.403	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1Cl	408850154	HALINXXSMIKEDI-DBFSUHOCSA-N	606.698	7.353	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)cc1	408854070	WYXGXEFCGWGARN-FZSDHLTPSA-N	596.706	8.342	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	408867361	IJLXSFWVUQGWSJ-OQLLNIDSSA-N	542.295	5.819	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OCc1ccccc1Cl	408882629	RIYFFVVCOHBWHD-OCSSWDANSA-N	599.856	6.477	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408883530	QCVVRXJISRWEJA-CIAFOILYSA-N	597.409	6.285	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccc(Br)cc1	408888404	VDHSGBRFURIYAT-XDHOZWIPSA-N	507.340	5.281	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1Cl	408888773	AKXDMNCIOOWFAO-LICLKQGHSA-N	579.221	6.731	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	408900067	SOBMFJXJGMBFJM-BRJLIKDPSA-N	513.786	5.187	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408900236	UIMQTDDFRRKNNU-LICLKQGHSA-N	595.393	6.098	50	40	KKGB	
Cc1ccc(Sc2oc(/C=N\NC(=O)COc3cccc(Br)c3)cc2Br)cc1	408915525	XANOEKFLPWRUQV-KSEXSDGBSA-N	524.234	5.793	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(C)cc2)cc1	408923995	IXQQFXIZYWVMJE-UHFFFAOYSA-N	513.704	5.976	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(OCC)c1	408939462	AVEFBLULGAMBKZ-MGBGTMOVSA-N	731.669	6.465	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408939600	AZHSGFLPUODWJC-SSEXGKCCSA-N	671.603	5.856	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1	408942117	FTSGGXLNZUUERI-WJOKGBTCSA-N	722.061	6.720	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1	408943238	HHQXZMFFFJVFRF-NDEPHWFRSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccccc2Cl)cc1Br	408945577	LBHIGORIAIWBDM-GDLZYMKVSA-N	702.027	5.575	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(C)cc2)c(Br)c1	408954405	ZETRXESXSJDRBF-NDEPHWFRSA-N	686.028	5.875	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc2ccccc2c1	408956469	XDKRFYOCJRNJFH-YUMHPJSZSA-N	501.586	6.175	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409001718	QUYVGSQGZONNMX-ZDLGFXPLSA-N	625.144	7.329	50	40	KKGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1	409008357	WKGJMULGWJRTQB-CFRMEGHHSA-N	514.622	5.651	50	40	KKGB	
CCOc1cc(Cl)c(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OCC	409010452	FAIRITZLTOOVRN-YSURURNPSA-N	591.627	6.015	50	40	KKGB	
Cc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(F)cc1	409019811	XMNFGIRVMVAVQB-UJZOWJBXSA-N	597.090	6.047	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409032241	LZVHFCVWLSSJIP-CLHYIUPASA-N	620.934	8.814	50	40	KKGB	
N#Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409042969	LYVKFHAXVNLODF-SEBMTOOBSA-N	532.603	7.270	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OS(=O)(=O)c1ccccc1	409064765	FZLNGVXBHFKSHV-DEDYPNTBSA-N	602.450	5.620	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OCc1ccc2ccccc2c1	409089850	KNLNYBCWYYOWDL-JFLMPSFJSA-N	540.357	5.779	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccccc1Cl	409125492	FTPNPAVVOKSNBR-AREMUKBSSA-N	661.968	6.305	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	409174241	MGGNBWRZMWIHSY-FJEPWZHXSA-N	593.305	6.603	50	40	KKGB	
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	409176701	VNNJXIPIOPZGKM-HIILVWPSSA-N	670.310	5.802	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	409178422	HRDPOOKBRNFLOV-DPNNOFEESA-N	696.326	7.474	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409218271	DXIZXNBGTMVQNQ-NRPROXPXSA-N	654.632	5.264	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccco3)c2)c1	409219830	QUCBWSDFVRBHJW-UHFFFAOYSA-N	546.377	5.586	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)c1ccc(Br)cc1	409221904	BPOSCWMPFNOANO-UHFFFAOYSA-N	631.439	5.991	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409247719	NHTIZRFFSBBQAS-CVHFWEDTSA-N	548.437	5.568	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	409255717	MUPCEWXIAGBLNZ-QDYAICPJSA-N	500.357	5.215	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1	409256948	MYUWXQWMWNNGCG-UDWIEESQSA-N	538.431	6.572	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1	409258441	UZSZWTTXBJGYIX-ODLFYWEKSA-N	538.387	5.652	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409259960	IKAFPKPTBWCQRV-GZTJUZNOSA-N	544.822	6.609	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409260349	PDIWTCNOUTZPHE-QDTIIGTASA-N	636.830	5.341	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1	409266495	XFXQEJSWTJVUFE-MFOYZWKCSA-N	633.724	6.745	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	409303418	MTXIENVZRKJQIX-NKHVPTTDSA-N	707.246	8.839	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)cc2)cc1OC	409311080	YCBXYQMYPJAMLH-MNDYBZJGSA-N	631.321	5.875	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)ccc1OCc1ccccc1	409311921	HYFIEPDCIGFXGA-KYHGBAKBSA-N	518.972	6.410	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	409363633	LNGYVEPVSIOJLK-VYYCAZPPSA-N	575.257	5.954	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409371279	FLFXUHUCRVVIIY-UNOMPAQXSA-N	509.375	6.377	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372105	RXBDJSOFUNTPRL-NHDPSOOVSA-N	564.233	7.916	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	409384006	VAZANOXOSYSAJB-KVSWJAHQSA-N	523.800	6.016	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409391022	GYAYCBZOYJNEBB-ODLFYWEKSA-N	516.985	6.014	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cccc(F)c1	409391215	HZJGWRBGQUKPBB-IUXPMGMMSA-N	615.611	7.331	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409397332	ITZSBXGTWDAVGV-UHFFFAOYSA-N	503.514	5.547	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(C#N)cccc4c3-c3ccccc3)cc2OC)cc1OCC	409398292	SFPYBOLICCTEAB-UHFFFAOYSA-N	602.647	6.496	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)o2)cc1	409401001	FXNOWNYHJJVGIF-KMUKQRDJSA-N	597.071	6.701	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCc3ccccc3)o2)cc1	409405340	SXAYAWIPXZGFAO-AEUUOICLSA-N	632.942	8.025	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c(OC)c1OC	1795625	NGYSXKFUBYYJFK-LGJNPRDNSA-N	540.692	5.252	50	40	KKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)c1	2326383	YXSBPIHJPZXFGG-BXVZCJGGSA-N	520.427	5.327	50	40	KKGB	
NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	6445844	FEUWOSJCNTXMPH-RNBKDOAQSA-N	561.041	5.189	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NC(C)(C)C)N1	9428576	HHDAHMVAJHKGBI-NRFANRHFSA-N	518.561	5.281	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	12250717	PWYBQIRPDLIZOJ-SANMLTNESA-N	514.676	5.441	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccc(C)cc2)cc1	19956621	BIPQPLUJUCLNAB-JFLMPSFJSA-N	520.438	5.046	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(=O)C[C@@H](C)CC)CC[C@]4(C)[C@H]3CC[C@]12C	70692315	VKBCMZKYIQGGGT-HPJYUJJMSA-N	644.617	10.635	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)NCc3ccccc3)c2-c2ccccc2)cc1	97960794	UEQUJSWGFQIVIO-DFKUXCBWSA-N	551.646	7.211	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	97964067	GXUMEDCUYOGUSV-MKMNVTDBSA-N	532.161	5.656	50	40	KKGB	
O=C(CSCC(=O)N/N=C/c1ccccc1OCc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	97965527	HJUIPEWSWAWSRZ-ZXHXELASSA-N	566.683	5.178	50	40	KKGB	
COc1ccc2c(Cl)c(C(=O)N/N=C(\C)c3cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c3)sc2c1	97965769	GPZAXATYOQOURD-INRUPRTJSA-N	569.886	6.489	50	40	KKGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C(\C)c3ccc(NC(=O)c4csc5ccccc45)cc3)CC2)cc1	97965835	ARFGLVWHHOGXHB-UZWMFBFFSA-N	590.727	5.103	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)N1	97999514	SKBJEMLULWWIIA-HHHXNRCGSA-N	563.510	7.008	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc2C)cc1	100123294	SOOUTTZWVPRNPM-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)Cc2ccccc2)cc1	100139126	BYECEPNOFBGJBA-APTWKGOFSA-N	605.116	5.007	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1	100221137	FZRUKQUQXANNTP-NJZRLIGZSA-N	543.645	5.010	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4Cl)c3C)cc2)CC1	100290295	ISNSKEUFKUSSJT-KEIPNQJHSA-N	556.110	5.842	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl	100326441	IPQOTICPNPVAMZ-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	102808391	MVAGHNBEAUZXOM-SANMLTNESA-N	534.037	6.053	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	102810276	NQOIGBVKPBCUOT-HHHXNRCGSA-N	581.500	7.148	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1F	103884119	JBRGAFMWDCVOFI-KQWNVCNZSA-N	611.455	5.664	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(C)o2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	103894999	VQDLWYAJOZILGV-IPBVOBEMSA-N	592.821	5.677	50	40	KKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)[C@@H](Br)[C@@]2(C)[C@H]3CC[C@@H]2/C(C)=C\C=C(c2ccccc2)c2ccccc2)C1	118927979	UKFMVSQONDNDJQ-CNXNABJWSA-N	629.679	9.208	50	40	KKGB	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4s3)c2)C[C@@H](C)O1	136203461	GRCHLKQVNWMTCX-ABEUIXMBSA-N	581.723	6.011	50	40	KKGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	162491697	CRDIHKUGYRGEMV-KEIPNQJHSA-N	628.548	6.527	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795449	PVYVVFRAKOKZEL-IRXDYDNUSA-N	928.303	13.382	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795452	GUDGRLFCQFVPHN-IRXDYDNUSA-N	1028.320	14.652	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(I)cc2)c(C)c1	216048181	QTJQPRUKVODUDI-MZJWZYIUSA-N	532.809	5.833	50	40	KKGB	
CCOc1cc([C@@H]2[C@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(I)c1O	226385528	CRWMSCLITBKRTI-HZUJVAHNSA-N	542.421	5.261	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1OCc1ccc(I)cc1	408540857	CEFSUBKWNFHLCV-UCQKPKSFSA-N	608.432	6.241	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)Cc3ccccc3)cc2OCC)ccc1OCc1ccccc1	408541087	XQJLKOBGKYIZJW-IPHFVPNQSA-N	617.540	7.097	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c(C(=O)OCC)c1C	408547481	XNIUSQZYRKPTOA-DEDYPNTBSA-N	630.504	6.141	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551357	KJVAZRDYFPEFOE-CXUHLZMHSA-N	623.718	7.371	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1	408568724	WIQGQLMIZKWMIE-OKCVXOCRSA-N	537.841	6.536	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408642009	LWVBNDPDEHCHBW-MHORFTMASA-N	617.121	5.156	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2I)cc1	408676566	KMEIUOYIDQNHMS-MUFRIFMGSA-N	665.313	6.147	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1	408725051	IPRIOLWMNIVZOO-OCSSWDANSA-N	533.422	5.891	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2-c2ccc(-c3ccccc3)cc2)c1	408726677	SPVMNNSMBUBFLH-AJBULDERSA-N	501.546	6.187	50	40	KKGB	
COc1c(Br)cc(/C=N\NC(=O)c2cccc(-n3cnc4sc5c(c4c3=O)CCCC5)c2)cc1Br	408732650	TVPSOYSMQGRVGY-ULPWCQAASA-N	616.335	5.624	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)C(O)(c1ccccc1)c1ccccc1	408737761	GRRZEKVLMXFOMI-NDZAJKAJSA-N	515.407	5.414	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC#N)c(Br)c2)cc1	408743289	FNDNWNJXMWVRKF-ZROIWOOFSA-N	505.166	5.058	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)cc1	408744372	FEECSPBPZDQKKJ-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	408754461	NNLVCBVCSZAKKV-BOPFTXTBSA-N	517.390	5.624	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OCc1ccccc1	408763667	ONSRTUPJYKXMNY-VCHYOVAHSA-N	589.227	6.187	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1c(Cl)cccc1Cl	408773633	SGJAQJAYOISBGO-YVLHZVERSA-N	546.248	7.198	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408781693	CYKCXBKIQVGSQW-KQWNVCNZSA-N	544.424	7.120	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(I)cc1	408785667	ANJHVLXXPFQZGP-RHANQZHGSA-N	549.412	5.895	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408786915	XKWYLBCVSAOFMG-JCMHNJIXSA-N	577.435	5.201	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408790041	MOCXOSQRDSYWKN-VCHYOVAHSA-N	522.311	5.180	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	408790350	VTPCESZHHRPFFG-FYJGNVAPSA-N	583.866	6.803	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc2ccccc12	408791643	AEFRITXMZAYTFI-MFKUBSTISA-N	511.021	7.633	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408791672	AOMCIQGSRPQEBM-PCLIKHOPSA-N	662.378	8.314	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br	408794078	HJNKHJMABIGMQB-VGOFMYFVSA-N	510.613	6.284	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795375	LPSBZBFXQQNIAL-AFUMVMLFSA-N	554.433	7.569	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408796422	ODBFZGOAQUDGMP-DJKKODMXSA-N	560.275	7.506	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1	408805965	DDWHOOUCNRRBMS-YDZHTSKRSA-N	563.448	6.376	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408828274	JIPVKELCGPFPQC-FMFFXOCNSA-N	556.732	5.927	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12	408831851	HMTBUVUFOPZFOE-WPWMEQJKSA-N	609.509	8.859	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1cccc(C)c1	408836272	ZXPRBQHXMFLDCS-AFUMVMLFSA-N	621.948	9.058	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCC(=O)O)c(Cl)c4)cc3)cs2)cc1	408838959	KTLFGBMWFZYGQB-XODNFHPESA-N	520.998	5.743	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1	408841207	JVQJXDYPBWIUMY-HNSNBQBZSA-N	592.117	5.890	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccccc1	408860157	WLASKLSDZPHQJA-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1OC	408862771	LYWLMSXKJBFRPY-MUFRIFMGSA-N	622.925	5.030	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408864290	YHZDSPNGNVHEIC-QXUDOOCXSA-N	667.209	5.824	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408866897	JAVROGCLFZCPPH-LUOAPIJWSA-N	542.644	6.761	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cccnc1	408868517	MUOUMFLFDFJLFG-WMDMUMDLSA-N	652.057	5.941	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)ccc1OCc1ccccc1	408878488	BGIKZKMWIOFAIP-UZWMFBFFSA-N	589.739	5.650	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)ccc1OCc1cccc2ccccc12	408879959	IANCUAXTFJODIJ-HZHRSRAPSA-N	620.341	8.197	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(I)c1OCc1ccc(Cl)cc1	408887352	PXRRMFCFGSCHEH-KKMKTNMSSA-N	607.857	5.916	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc(OC)cc1	408889951	LPSHMWXVHOGARL-XSFVSMFZSA-N	501.495	5.075	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1cccc2ccccc12	408890816	ZQUIONYSTKPCFU-OCSSWDANSA-N	525.586	5.841	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1Br	408891942	WBTHAGQYGXVZDB-RIYZIHGNSA-N	506.150	5.020	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OCc1cccc2ccccc12	408896527	RQRRADYWSKZDAY-WCMJOSRZSA-N	546.048	6.855	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	408925308	OWSADZJGLZYROP-WKULSOCRSA-N	544.382	5.748	50	40	KKGB	
CCCCCCOc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)NC2CCCCC2)cc1	408969332	MAEVOOWFHLNYND-XHLNEMQHSA-N	526.634	5.978	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969967	XXEALFYHVNVZBA-OUQXRLOJSA-N	613.336	5.225	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCCOc1ccc(Br)cc1	408972056	PFEPUTHCXTWDGO-MZJWZYIUSA-N	538.225	5.986	50	40	KKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)n1	408990368	KWLAMIIFYJUIBQ-MWFMVVAPSA-N	612.693	6.096	50	40	KKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)c1	408991916	PFBGUQZSXVWHFZ-UNYAEPIKSA-N	637.743	7.198	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br	409023277	WLOBWQWWFNKIGP-AUEPDCJTSA-N	512.585	5.940	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025364	PXYOGRNZYXUBNM-RMHLZVGTSA-N	621.115	5.455	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1	409047629	OXIURNXNCPCMSD-QGOAFFKASA-N	506.356	5.021	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	409049680	XSDIDAHOOQOADZ-WOJGMQOQSA-N	590.293	6.142	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1cccc2ccccc12	409065646	KACJNZHHDSFMGL-YZSQISJMSA-N	556.584	8.110	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1ccc(Br)cc1	409066389	OMBIORIJKSRFED-KGENOOAVSA-N	519.395	6.016	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409078980	JWENUENYSCEZKI-QDTIIGTASA-N	599.252	6.348	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccco2)c1	409224275	KPJAKWFXFLEIAD-UHFFFAOYSA-N	601.207	5.633	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409224996	NBFXSLXTNVNTLA-GZTJUZNOSA-N	617.827	5.612	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)n1	409230784	GMKKDCUBYBABPP-OPEKNORGSA-N	611.303	5.282	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2)c1	409255557	HYKIQOJYGMQMHD-WOJGMQOQSA-N	569.253	6.083	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)c1	409262041	CEPYLEBNXACAAB-ODLFYWEKSA-N	538.829	6.283	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1	409268666	XIDSSEVWZNXETA-KMUKQRDJSA-N	630.539	6.825	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1OC	409313296	NXRYZUICAKSQTJ-MUXKCCDJSA-N	531.378	5.347	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC	409315874	XFDOETQDMVQNSW-RHANQZHGSA-N	537.410	5.211	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)ccc1OC	409316595	ZQCQJXZWKORCSI-WGARJPEWSA-N	567.845	5.041	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1OC	409318354	UZMHQWPIPIXHDA-MBTHVWNTSA-N	513.363	5.505	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1OC	409322052	IRQWYDKXVJTRFB-KYHGBAKBSA-N	537.443	7.287	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)ccc1OCc1ccccc1	409322918	YOXMDXAUVUZADG-BYDMSBDESA-N	634.394	8.064	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	409327691	WGCKWYGHRSQDMN-WKIKZPBSSA-N	580.806	5.313	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OCC	409328209	ZXTHAFTUJDTICF-MWLSYYOVSA-N	586.439	5.896	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1OCC	409334638	UQNUBVZZDGZDNW-BVMLUPFRSA-N	667.782	6.834	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccccc1Cl	409356321	GOIRWCFPQDRTGS-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1	409366628	XGTZVKLLDSYFST-ACXHZZMFSA-N	610.302	6.408	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])cc2I)c1	409372259	JRKPNZULHTZCFC-ZMFRSBBQSA-N	655.230	5.384	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)Sc1nc2ccccc2s1	409383852	LJDMLSUFWQRLOQ-RQZCQDPDSA-N	637.216	8.820	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409395220	LEASCANSUXEWNW-UHFFFAOYSA-N	616.855	6.963	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397055	FRHCGVIJSIJRMS-UHFFFAOYSA-N	648.499	7.159	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409399312	ZITWZVJRBSHHIT-UHFFFAOYSA-N	620.920	8.485	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	409404717	QTDPROMZMXUFTD-OJYCWLPVSA-N	576.653	6.356	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2F)c(OCC)c1	1529549376	XJGADLLWCPQXJP-IZQZZFRNSA-N	746.599	5.293	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	2706462	VEVWLVZUOLSJAE-UVHMKAGCSA-N	561.292	6.246	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1Br	3112482	LULUSENRAJBRFF-UXHLAJHPSA-N	528.406	6.044	50	40	KKGB	
Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c1Br	3162796	MEJGTDSFKAKPSD-HCBMXOAHSA-N	546.643	5.555	50	40	KKGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3c(-c4ccccc4)n(-c4ccccc4)c4ccccc34)c2)c(C)c1	6140053	DAWLMXQMZRGUCD-HWLOXFRGSA-N	598.728	7.479	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccco1	12250145	PBJMNNUUROERRP-HHHXNRCGSA-N	526.662	5.535	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3OCC)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	33354533	SDYVNNOLRDOOGI-SSEXGKCCSA-N	568.699	6.191	50	40	KKGB	
CCCCCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccc(C(C)(C)C)cc3)c3ccccc32)cc1	46085113	LRSRHFLBAWSWGV-BVNFUTIRSA-N	527.665	5.999	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccs2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	59197869	ASNPPGISDCLBCL-YSURURNPSA-N	514.228	6.169	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1	59528055	VDQRILDYMGBLQD-HVBJHMBASA-N	541.982	6.101	50	40	KKGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	59646353	RRAFRZPGRHGDOD-RDRPBHBLSA-N	549.008	5.408	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(Cl)cc2)cc1	59856016	GACUIBQNNZNFMV-XICOUIIWSA-N	598.124	6.726	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1	83314578	TXEBXFCVRHSAAM-ZMFRSBBQSA-N	503.780	5.463	50	40	KKGB	
C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C(\C)c1ccc(Br)cc1	97944469	CLDJBPFHIBQWLE-RDRPBHBLSA-N	549.498	5.624	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1	97972308	QVNNKADVGYCKTC-IDWIKUEFSA-N	589.493	7.430	50	40	KKGB	
O=C(N[C@@H](Sc1nccc(S[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)n1)C(Cl)Cl)c1ccccc1	97983164	RJKNACWHHQHLIQ-PMACEKPBSA-N	610.803	6.347	50	40	KKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Br)cc1)c1cc2cc(Br)ccc2o1	100056340	CHHOFRXLCNLWCS-ZMFRSBBQSA-N	528.200	6.301	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(OC)cc3)s2)ccc1OCCSc1ccc(Cl)cc1	100229411	FQORFIBOSLSRLD-FDAWAROLSA-N	626.160	5.715	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl	100258284	XHLRBOWICXELOS-OCSSWDANSA-N	555.487	5.990	50	40	KKGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccccc1	100289540	MGKVBHWKYAITSX-ZCTHSVRISA-N	544.677	5.065	50	40	KKGB	
CCCCCCCCCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	100557563	NIRMOMHGUKKFAF-AJSVUVGVSA-N	569.334	6.015	50	40	KKGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1Br	100851499	ZVZKUQOOSUWHIE-MZJWZYIUSA-N	562.921	6.117	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)OCc2ccccc2)=C(C)N1	101554700	BVJRGGMPVVSKAT-GDLZYMKVSA-N	558.103	6.714	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CCl)[C@H](O)c1ccc([N+](=O)[O-])cc1	102092788	ULNFLTSOFITTNS-RPLLCQBOSA-N	527.102	6.376	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2[nH]1	102476146	FZIZTHXDGZVHIR-JJIBRWJFSA-N	528.015	7.712	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2cc(C)cc(C)c2)N1	102810297	YYCXEMPVACPSFG-GDLZYMKVSA-N	557.119	6.972	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)Cn3nnc(-c4ccccc4Cl)n3)cc2Br)cc1	103781944	OWRYGJRONCKNOT-KVSWJAHQSA-N	618.717	5.556	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	103890231	QUHDWGMPARGYFR-JCMHNJIXSA-N	595.324	8.288	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)S(C)(=O)=O	103900418	HWDKPACKVUPCRB-OCSSWDANSA-N	536.053	5.297	50	40	KKGB	
O=C(CCCC(=O)NNC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)NNC(=O)Nc1ccc(/N=N\c2ccccc2)cc1	104081980	MDZWYGQIQIDIIM-QYQVJVQQSA-N	606.647	6.693	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCc1ccc(Cl)cc1	104401961	YIQPQRSSLQOXIN-RPPGKUMJSA-N	599.650	6.059	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(CN5CCOCC5)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709476	MZDBJADYUQTLOT-PSTUOMTHSA-N	566.702	5.517	50	40	KKGB	
CCCC(C)(C)OOC(C)(C)C#C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	118920932	MQGVLLQFFLTSOQ-GFCLXTRZSA-N	558.800	7.572	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@H](Br)c2ccccc2)c1)c1ccccc1	139125423	IWCUOHKKHNYQLC-XNMGPUDCSA-N	528.402	6.483	50	40	KKGB	
CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341608	FXGWKBORVHCBQD-ZDUSSCGKSA-N	778.316	11.746	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(-c2ccccc2)cc1	209658750	GWUNAASLORUVII-UQQQWYQISA-N	502.643	7.119	50	40	KKGB	
CN1[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[C@@H]2CCCC[C@H]21	211202764	GLAGDVXPTFPLAJ-KTKZDIBBSA-N	688.836	8.174	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)cc1	408538382	LZDRRMAWTPURQK-WGOQTCKBSA-N	643.534	7.569	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Cl)ccc1OCc1ccccc1	408540111	NFJOAQVTVNSJAZ-CVKSISIWSA-N	587.503	8.404	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Br)cc1	408639071	FAKITKHRRFJTQC-MHORFTMASA-N	696.017	5.918	50	40	KKGB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	408645151	HMJFIOMRCYBDHF-BMVRYGPPSA-N	673.185	5.409	50	40	KKGB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408649119	XNHQKPWAAOJIEA-LRSLUSHPSA-N	719.364	5.038	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(I)cc1)c1ccc(I)cc1	408711679	FLZWDBYPOYVQMW-ZMOGYAJESA-N	582.179	5.239	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1	408711871	OMBOKXCTFSIQNX-DHRITJCHSA-N	520.754	5.296	50	40	KKGB	
O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1	408724079	DSUMDUZBHFGQFY-AJBULDERSA-N	521.418	6.733	50	40	KKGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	408736541	CGYIDDGJTPDAML-HNNDCAHOSA-N	670.402	6.716	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)c1	408746828	WHVOZPZTWHSALN-UQQQWYQISA-N	509.581	6.757	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1cccc(C)c1	408757633	BAQAJCIXIHTDFT-JAIQZWGSSA-N	570.281	7.043	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1O	408759678	JLQMSOZFYZTHFF-IZZDOVSWSA-N	503.123	5.248	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br	408760194	UGAMFIMUTLXNJT-MLPAPPSSSA-N	542.611	5.353	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(Cl)cc2)cc1	408773112	SSYAQLAQUBHHJL-UHFFFAOYSA-N	518.123	6.621	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408777502	AUODWPRAPYFKAT-HMAPJEAMSA-N	552.299	8.807	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408793335	DQNYSPBAPFIICP-WGOQTCKBSA-N	555.472	7.688	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc2ccccc2c1	408794492	SKGSXVBQXAQBER-WSDLNYQXSA-N	513.937	6.535	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408797722	SRNRDPCQXDSUIW-XDHOZWIPSA-N	536.338	5.269	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)Nc4ccc(F)cc4)c3C)sc3c2CCCC3)cc1	408820332	VPWRPBITHMGIBJ-QJOMJCCJSA-N	552.675	7.280	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc(F)cc1	408824242	HNPDHOJQHFUQQB-OEAKJJBVSA-N	577.439	7.845	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408825614	DIZVUODTWJEYOW-XZYGTATASA-N	701.039	6.743	50	40	KKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl	408829290	FJGBLIOJEHLCAG-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc(OC)c1OC	408841973	HLTNQFPWNBKRSW-YLYVUXRMSA-N	757.446	8.232	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc(C)cc3)cc2)cc1	408845111	OMKANAOOJLUQHI-KCSSXMTESA-N	586.442	6.002	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408849025	XRWIQVBYTLHURT-IZYHBKOJSA-N	631.585	8.911	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408858367	RSIMEWPKWNYBDJ-MUXKCCDJSA-N	537.366	5.635	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc(C)c1	408858602	QTIKITWLXIYDPO-MBTHVWNTSA-N	507.384	6.245	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408861435	AJKWGTPPPFAPOH-KVSWJAHQSA-N	568.320	6.727	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	408868732	OHFYGIZCTBAQPO-OXUBWTJQSA-N	581.821	5.809	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccc([N+](=O)[O-])cc1	408878694	BKQOUJKMRPUIQH-VFLNYLIXSA-N	542.543	5.914	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1Cc1ccccc1Cl	408883059	SVQUCIQWWQSXQO-WOJGMQOQSA-N	530.249	7.291	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccccc1Br	408888325	ZDMBUDVGYMJHFZ-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Br)c2)c1C	408889243	BSXNYSGICFGMBY-UDWIEESQSA-N	540.255	6.953	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1	408893617	HESNMXRVKLKVDH-YBFXNURJSA-N	507.340	5.281	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c(Br)c1	408893699	GVBBBDZUIZLTHF-LZYBPNLTSA-N	812.465	8.507	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)c(OCC)c1	408945710	LEOZPCOKPMOZQN-PMERELPUSA-N	637.158	5.203	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(C(=O)O)c1	408953395	WDWIXOVOKSBYEB-MUXKCCDJSA-N	537.366	5.635	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)c(OC)c1	408954054	MTWCUHNULRCEFF-IUXXIWHHSA-N	666.518	5.173	50	40	KKGB	
O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)NN(c1ccccc1)c1ccccc1)OCc1ccccc1	408999336	RCCTVZXVRZDDTC-AREMUKBSSA-N	733.344	6.308	50	40	KKGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1Cl	409014559	QDJCCORQEGZFOP-VQGIZBIESA-N	504.606	5.512	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409039826	DTAKYLUTIYUZLH-VCHYOVAHSA-N	612.380	5.080	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409043867	AZTXERGWZLASNR-CPNJWEJPSA-N	597.409	5.262	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCc1ccc(Cl)cc1Cl	409065413	LMNSFIFKGCBWIC-LPYMAVHISA-N	507.417	7.164	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	409071611	HMMUIDBQYXOKJO-RIYZIHGNSA-N	631.129	6.832	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	409074499	MGFPUYDHIABMOJ-XQNSMLJCSA-N	502.592	5.354	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccc(F)cc2)C2=C1CC(C)(C)CC2=O	409128036	DNRLGPDURCVBSK-RUZDIDTESA-N	554.460	5.550	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C)cc1	409147476	WVILLDRIKRPIKH-MHZLTWQESA-N	594.550	6.118	50	40	KKGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409183730	FTIDIXKZZZCFOJ-RWPZCVJISA-N	573.414	5.507	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)cc2c1	409186799	HZMINCZWWYNEKA-NUJZUDFISA-N	567.392	5.644	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)NC1CCCC1	409191045	RONUSMVPPMVUJY-PXNMLYILSA-N	549.219	5.665	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409217786	BQFKNVQBBQOJLZ-XDHOZWIPSA-N	615.855	6.215	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OCC)c3)c2)cc1OCC	409218292	HRIOXGMNKIJDRX-UHFFFAOYSA-N	630.097	6.772	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1	409223279	GQIKEJAPBUJFNH-UHFFFAOYSA-N	590.861	6.646	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1	409226448	TVEKLFKXMZTVIY-OQLLNIDSSA-N	518.759	6.349	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409228672	CJTARHNRSTZVRB-KQWNVCNZSA-N	518.013	5.412	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	409241082	WZYWJBLIBCRJNA-IMRQLAEWSA-N	525.605	5.957	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	409254500	IRNGNQCMAQMMDP-WKULSOCRSA-N	518.828	6.485	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCc1ccc(C)cc1	409255170	YGCZIKGGUJCONN-MBTHVWNTSA-N	546.380	5.409	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409262646	ILXHLBWWPSWUMC-JAIQZWGSSA-N	640.434	5.778	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409264312	OTISPGCTAROXMP-FDVSRXAVSA-N	509.990	5.146	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OC	409312052	JCYNDXXUZVZPDR-ULPWCQAASA-N	550.826	5.754	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1OCC	409324459	UIIPIEPMLSDUNV-LQNQUEJISA-N	568.468	5.726	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409331424	DCVMUUCKLWVXMU-UXHICEINSA-N	568.866	5.155	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1Br	409334981	JJQFRVRUTIIPDH-PXGAOIJESA-N	611.331	5.337	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1OCc1ccccc1	409337214	XHCAGQXJHRRTLM-CAQPMQTCSA-N	686.524	5.727	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409361821	DKMCRMDTBHKKSQ-PDGQHHTCSA-N	615.399	5.401	50	40	KKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1	409364565	OAXBHUJIDXMXLA-LQNQUEJISA-N	501.424	6.491	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409366396	RALGWABUQIUBAV-LGJNPRDNSA-N	577.229	5.861	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(Br)cc1	409370715	ANCFPQXIGXORLN-BRJLIKDPSA-N	522.624	6.208	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1Cl	409374511	RMRLNZIWMKZQDF-NVMNQCDNSA-N	604.275	7.825	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1F	409379735	YUSAEJPXTNCBJG-GZTJUZNOSA-N	528.367	6.094	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409398477	TZGZRFKNLRIUPK-UHFFFAOYSA-N	572.448	7.442	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(ccc5ccccc54)c3-c3ccccc3)cc2OC)c1	409399332	ZPSTXLDSAWWHHD-UHFFFAOYSA-N	569.617	6.988	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409399928	AHVPYPONQDVAEI-GZOMZLSJSA-N	675.569	7.753	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)o2)cc1	409407832	IISVZILFGAKCKO-DLCNMLRHSA-N	575.496	7.744	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3OCC(=O)Nc3ccccc3F)o2)cc1	409409735	QRQJHHFOWONEJP-ADJDCTSUSA-N	693.957	7.603	50	40	KKGB	
COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Cl)cc1Cl	1531386402	CZYKITWJWPGYIV-VHFSBPNMSA-N	618.517	7.924	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1OC	1059052	DGGBHSZCCMROTD-AJBULDERSA-N	543.645	5.172	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1	1773491	HZNDFHNWUAYPPT-UXHLAJHPSA-N	513.667	5.791	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)sc(C(=O)OC(C)(C)C)c1C	2264468	NPCCQCXZYITEFK-AQTBWJFISA-N	523.680	6.905	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1CSc1ccccn1	2744732	QDEKKDOJWUKMJO-IPPBACCNSA-N	526.449	5.698	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl	3091977	YVNHJQFPSTYSDU-DSXRDXOXSA-N	598.011	5.218	50	40	KKGB	
CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	3112786	XBJUECKOFRSDDE-YZGZNNKOSA-N	527.624	6.703	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12	8812935	ZVOIIYJQXBWQAZ-WKULSOCRSA-N	507.359	6.093	50	40	KKGB	
N#C/C(=C\c1c(-c2ccc(Cl)cc2Cl)nc2sc3c(n12)CCCC3)c1cccc(C(F)(F)F)c1	12956596	UTQDBEYCUMTJPO-RVDMUPIBSA-N	518.391	8.331	50	40	KKGB	
CCOc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C3/CCCC[C@@H]3C)n2-c2ccccc2)cc1	33751678	ULZCYFSRIHRZKQ-TWZGQYPMSA-N	506.676	5.441	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1C	34766167	QNYMUPNNAWILFU-XODNFHPESA-N	520.254	6.645	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3ccc(C(C)C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC	35193657	VQJMPMJREAHXMF-MUUNZHRXSA-N	530.690	6.508	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccccc2)c(Br)c1	35494336	LPAPTBMHMNCICV-QFEZKATASA-N	502.206	5.483	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	59647028	HGIYZTFWMABPHT-QXUDOOCXSA-N	560.529	6.487	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C(=O)[C@@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C	68569411	RBYRHDBWVSOLNG-RYMWKBNASA-N	597.587	5.650	50	40	KKGB	
O=[N+]([O-])c1ccc([C@@H](Br)[C@@H](Br)c2ccc([C@H](Br)[C@H](Br)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	95100213	KYMFIPAQSHDSRX-FNAHDJPLSA-N	781.990	8.464	50	40	KKGB	
CCCCCCCCCCCCCCCCCC/N=C/C(C)(C)SSC(C)(C)/C=N/CCCCCCCCCCCCCCCCCC	95676849	LUZHNJMQSFYZFO-UWXPRHHASA-N	709.336	16.590	50	40	KKGB	
COc1cccc([C@@H]2C(C#N)=C(N)N(c3nnc(SCc4ccccc4Cl)s3)C3=C2C(=O)CCC3)c1OC	98006249	GNHWNYIQKWDOON-JOCHJYFZSA-N	566.108	5.806	50	40	KKGB	
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	98048536	PTMQMWZYHBPFDM-VWLOTQADSA-N	541.658	5.904	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)N2)cc1	98048664	DFGQKAGEGDVOHX-AREMUKBSSA-N	601.050	7.221	50	40	KKGB	
N#CC1=C(N)OC2=C([C@H]1c1ccc(Br)cc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12	100032430	PZCVUGGCPQIJSU-QFIPXVFZSA-N	538.398	5.115	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	100189710	FSLAGKSMWVRMPA-STBIYBPSSA-N	547.508	5.494	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1	100568974	YCGAXRHNBQFFJD-HHHXNRCGSA-N	589.515	6.164	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1c(F)cccc1Cl	100853840	FXDCRPMVWSOSLE-NVJOKUIPSA-N	534.831	6.276	50	40	KKGB	
N#C/C(=C/Nc1ccc(Br)cc1F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	100931289	FXJJXILXMCTDIE-XFXZXTDPSA-N	547.203	6.557	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	101059391	OXAZGRDDIDUAAD-DNKLCNGGSA-N	509.672	7.315	50	40	KKGB	
C/C(=N\NC(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2)c1)c1ccc(OCc2ccc(C(=O)O)o2)cc1	101158757	SJUJOTMHVBQLLO-RDRPBHBLSA-N	529.505	5.198	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2)cc1	101566463	XCKUKAAFTGIDCB-GDLZYMKVSA-N	556.087	6.720	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(Cl)cc2)cc1	103742320	NUUABPCWMGXSBV-HVBJHMBASA-N	542.875	7.020	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342224	KHFIOYFKKGZVQO-UWTATZPHSA-N	792.030	9.658	50	40	KKGB	
CC[C@H](c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1)[C@@H](CC)c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1	150385271	GTWGWCYJKHSRHO-LQDDJWCHSA-N	786.668	10.238	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(Cl)cc1	150440798	VMOGLMXZOPLECG-OPEKNORGSA-N	661.621	5.800	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795385	KOIUXUTVKCGPFE-CHWSQXEVSA-N	772.181	10.551	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1Cl	408534412	VMGINLAIADQVSO-XAZZYMPDSA-N	505.924	5.899	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3cccc4ccccc34)cc2Br)ccc1OCc1ccccc1	408538775	BPTLWJANLSVRIW-CLHYIUPASA-N	688.416	8.685	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C#N)c1C	408546025	COALPGAYGCYRAI-UDWIEESQSA-N	528.033	6.480	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550055	AYYHWKGQGAISQV-QDTIIGTASA-N	520.800	5.827	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2Cl)cc1	408552010	RFULAPGWUYLYJY-VXLYETTFSA-N	522.457	7.238	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2Br)cc1	408552685	URPURDNSMNMXAL-UDWIEESQSA-N	532.463	6.694	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1cccc(F)c1	408553065	WQTWSOFQQDTCDT-GIJQJNRQSA-N	522.001	6.424	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408568258	IRGVKAZSOZEKTI-MZJWZYIUSA-N	635.505	5.786	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408569559	OPYASBWLTCKNEC-IPPBACCNSA-N	617.543	5.743	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408578966	CBRLQPZMJLFOGX-AWNIVKPZSA-N	588.163	8.548	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408579179	DGFQFFAWTSYXFU-LDADJPATSA-N	518.816	6.333	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	408580289	NXTUKWJAEVSDKQ-CXUHLZMHSA-N	627.693	7.732	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408581487	XFTMAEHCTPVJKT-CAOOACKPSA-N	641.720	8.040	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1	408608087	GKOIPYOWFRVLKW-LQKURTRISA-N	508.416	5.242	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408612009	TWXDGGYBBBKHTA-FJEPWZHXSA-N	528.436	5.795	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408647221	WSMDNLCJFZGMEM-RBPQIDMKSA-N	673.185	5.687	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCC(=O)Nc1ccccc1	408676538	KHPJAWIZYPFIED-UXHLAJHPSA-N	612.468	5.072	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCc1ccccc1Cl	408676595	LFXZOMITJKHRAB-OCSSWDANSA-N	603.888	6.286	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)ccc1I	408747324	MCUJFTLJNJGDML-AMVVHIIESA-N	649.710	7.212	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2I)cc1	408747406	NKMBESHHVYYXCG-XKZIYDEJSA-N	508.359	5.402	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408782543	JYZQXPDYQTWFEL-UYRXBGFRSA-N	624.448	6.848	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408791140	UQWJCGZNFQYARL-MHWRWJLKSA-N	536.640	7.534	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)c(C)c1	408793610	FVULFTSMBQXXIA-VXLYETTFSA-N	621.700	7.449	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2I)c1	408794599	JTJMWFBZCOFOFB-VCHYOVAHSA-N	607.673	7.140	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408795880	MXCPEVVOXOJAHU-GIJQJNRQSA-N	556.800	6.452	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(F)cc1	408795909	MYVOEOIXJDBFII-UDWIEESQSA-N	509.375	6.420	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OCc1ccc(Cl)cc1	408822603	BJNPJGYKVNQYIC-LFVJCYFKSA-N	559.449	7.706	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1	408826983	LXUZYZKDSUKXIR-YDZHTSKRSA-N	625.911	8.888	50	40	KKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1Br	408835355	XHSPQSCOGKFMNH-XSFVSMFZSA-N	521.798	6.239	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408835992	OYSSITCYKWHTAF-OEAKJJBVSA-N	618.871	7.714	50	40	KKGB	
Cc1ccc2c(Cl)c(C(=O)Oc3ccccc3/C=N/NC(=O)c3ccc(NC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3)sc2c1	408839285	QCCCFHULLNRYCA-YLYVUXRMSA-N	693.033	9.620	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1ccccc1	408842390	JSFHVCRLCVXNGP-ALQBTCKLSA-N	598.080	7.189	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2I)cc1	408846024	QIFJCRWEKHGAKQ-AABVJFSESA-N	708.965	7.853	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2cc(C)cc(C)c2)cc1	408872082	KDUZYXDSEXWCRA-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	408875367	DXCQJBKUWUVPJD-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)cc2I)c1	408903968	BUYHCOILJPIUSI-PPDIBHTLSA-N	657.144	7.168	50	40	KKGB	
N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	408914887	ZLUOJPNZVZSUPR-FADJLKOXSA-N	511.581	5.677	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)c(OC)c1	408947092	AFJNOBVYUFNEOY-MWKDUONYSA-N	777.410	5.361	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCc1cccc2ccccc12	408966269	LACPBVGAGBQMSV-IBBHUPRXSA-N	579.369	5.807	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1Cl	408982857	FPWKELVGVSGNCK-IUXPMGMMSA-N	550.667	7.842	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br	408983036	JTULETQDVMCSSE-AUWJEWJLSA-N	556.638	5.661	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc2c(c1)OCO2	408988593	ILNYMYXTHMCYGI-FMCGGJTJSA-N	531.008	6.629	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409033444	LUUXXBSXKQEPLA-CLHYIUPASA-N	712.385	8.765	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(I)c1OCc1ccccc1Cl)c1cc(-c2ccccc2)nc2ccccc12	409037436	CKJYCBMWGFWKGZ-KVAAJVFYSA-N	696.770	8.265	50	40	KKGB	
Cc1cccc2c(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c(C)n(Cc3ccc(Cl)cc3Cl)c12	409039903	XKIKUDQEHLEMRW-KOKCXWAISA-N	577.515	8.592	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Cl)c1OCc1ccc(Cl)cc1	409048264	SDCWZPHOIWIEHV-RPPGKUMJSA-N	504.326	5.349	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)OCO3	409094626	FBKMYMSZXGJDRB-JOCHJYFZSA-N	695.207	5.330	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409152803	KABZNMOGMPQBQQ-IURWMYGYSA-N	636.330	5.878	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1C	409181291	ARTLSMQEKVPBPQ-UKIRIYBZSA-N	574.080	5.852	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409183621	DYDDSFWWXDCWDO-KVAAJVFYSA-N	691.431	6.998	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccc(C)cc4)cc3Br)cc2c1	409184748	MSUSCHRUQGRZJX-FDVSRXAVSA-N	537.410	6.254	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br	409200662	JJTBJHMCWQLKNG-ZVBGSRNCSA-N	506.647	5.506	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-]	409219297	PFMSIMMRLAGBMV-ROTLSHHCSA-N	532.734	5.002	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC	409219451	QRHKOCGEKKXXPN-VHFSBPNMSA-N	678.094	5.627	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409223204	FYAKQBRVFLWGEZ-LPYMAVHISA-N	562.464	6.336	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1cccc(C)c1C	409261969	FRCHGJZFELJZNE-SAEPALGJSA-N	654.192	8.004	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)cc1	409265876	WLUJLKHQDXIIHD-PDGQHHTCSA-N	524.802	5.974	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)cc1OCC	409304147	QFGSTSKTJBKSQS-ACXHZZMFSA-N	645.348	6.265	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	409373217	OUHRTIWTPSOEAT-WKULSOCRSA-N	611.392	5.713	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409374700	XABYMJHOJQZRTC-NVMNQCDNSA-N	566.355	6.036	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(OC)c1	409384020	WIORTZCYJBQNAS-LGJNPRDNSA-N	503.780	5.463	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1OC	409384128	BGTZBIPLRWXTBV-QJOVZPHJSA-N	635.746	7.051	50	40	KKGB	
COc1ccc(OC)c2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)[nH]c12	409395806	RYYLZRKLDUIJGY-UHFFFAOYSA-N	725.821	8.322	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cc(Cl)ccc3OC)c(-c3ccccc3Cl)c2c1	409396590	ZFHZCHHKJLGYFE-UHFFFAOYSA-N	760.266	9.057	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409396998	DVTPJQFKLAXJAX-UHFFFAOYSA-N	528.568	6.007	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409398519	UFMVGDCGSWIRRM-UHFFFAOYSA-N	527.964	6.381	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409399354	ZVGYCCFHDNWASE-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4)c(I)c3)o2)cc1	409401708	IBUQJVLKSAMHFX-AEUUOICLSA-N	724.393	7.976	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	1529548148	YDIVWEKJYWIJRX-AJXABOPQSA-N	716.998	5.475	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCc1cccc2ccccc12	1529548341	DASPKGPHGARRQW-YWVSXFKHSA-N	717.642	6.075	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1	1790461	OYAFBGSNTVUHOM-BDPHVXEFSA-N	542.875	6.389	50	40	KKGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1Cl	2358656	OTGCHKJUHHNDAK-HVBJHMBASA-N	508.430	6.367	50	40	KKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	2670874	XWGJPOLFGIZNGD-KGENOOAVSA-N	543.479	7.589	50	40	KKGB	
Cc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C/c3c(O)ccc4ccccc34)n2-c2ccccc2)cc1	2738866	KBPDMKSPYJTDJO-BSAWEUQCSA-N	536.661	5.678	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccc(SC)cc1	8443123	MORWXJLTCFEYQZ-HSZRJFAPSA-N	546.699	5.821	50	40	KKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1	9553755	DHBHOSSZLRJYBZ-MUFRIFMGSA-N	502.368	5.384	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1	13080675	YGAZADXETSUNOE-MUUNZHRXSA-N	524.646	5.710	50	40	KKGB	
CC(C)(C)c1ccc(/C(CCC(=O)O)=N/NC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)cc1	25422731	AEGIBBWSTMOYII-XPXRSFDGSA-N	508.618	6.715	50	40	KKGB	
COc1cccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)CCCOc4ccc(Cl)cc4Cl)c3)c3cc(C)ccc3n2)c1	97965856	HZKXRKGRNZEQIF-WSBIKYRQSA-N	655.582	8.477	50	40	KKGB	
CCCCCCCCCCCC(=O)NNC(=O)c1ccc(OCCOCCOc2ccc(C(=O)NNC(=O)CCCCCCCCCCC)cc2)cc1	98001454	MUELZPWZWOGUGE-UHFFFAOYSA-N	739.011	8.525	50	40	KKGB	
CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc(Br)c1O	98048416	BUEZNSSSYXVMSK-MRXNPFEDSA-N	534.863	5.735	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1	100104577	DSBSBTBHGVYTDE-FDAWAROLSA-N	552.483	6.461	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1Cl	100130872	AJNKNVVWUAZCCT-KBKYJPHKSA-N	525.299	6.547	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1	100227806	JTMXULVSFXQBBS-MTJSOVHGSA-N	586.857	7.085	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	100398570	GGTYPLKZSOKWJC-BBTUJRGHSA-N	556.273	6.060	50	40	KKGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl	100859691	KXDYLYRPIXRKML-KKMKTNMSSA-N	517.829	5.532	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccc(C(C)(C)C)cc3)nc12	100903244	VMHANCOMJPBBIJ-XQNSMLJCSA-N	534.037	6.085	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C(C#N)[C@@H]2c2ccco2)cc1	102760588	CMZAZJRVDAFHDY-MUUNZHRXSA-N	584.698	6.088	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N1	102808864	GVOUKAMRJMWUQE-HHHXNRCGSA-N	543.092	6.663	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(C(=O)O)c1	103865891	JDGRIYXSBNPXHF-MYBYBSHWSA-N	621.693	7.861	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	104697691	IPRRFFOURFNGKU-UHFFFAOYSA-N	572.093	7.331	50	40	KKGB	
CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341746	YOEAUKFZNNYMRM-MRXNPFEDSA-N	820.397	12.916	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	164322588	QRQMTAQJBIYWBH-JAIQZWGSSA-N	644.282	6.519	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	216063479	WAPAAVAOMPRPKF-LQKURTRISA-N	556.413	5.888	50	40	KKGB	
CCCCCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408536712	AMUDGJIYORXFJQ-FMFFXOCNSA-N	577.150	8.329	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408537867	HQICWTGULXLUOT-RYYXGZFZSA-N	753.708	10.190	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408550833	HNMSDMBRXLUHQK-ZMGVVAQMSA-N	668.359	7.121	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408568459	UVECBZWALQASJU-UWVJOHFNSA-N	514.206	7.279	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	408569131	YZLWUJDUCDJUJA-GATIEOLUSA-N	612.072	6.225	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408579233	DZBCKLHRZLNYJP-GZTJUZNOSA-N	533.300	7.631	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1OC	408582371	NFXIYZOGMYVEDM-GIJQJNRQSA-N	563.673	7.525	50	40	KKGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408604245	HVGQCHULYYNJTC-IPPBACCNSA-N	549.252	5.144	50	40	KKGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl)c1ccccc1	408607834	FCZARJGFPMTLBQ-JBCPZZPVSA-N	549.252	5.662	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl)C(=O)Nc1ccc(F)cc1	408609620	KPBJPUAXXPFMDP-LUOAPIJWSA-N	539.188	5.563	50	40	KKGB	
Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	408637520	ABXSVILKGJNACR-MBOWVQHQSA-N	610.730	5.199	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1	408643643	PXNMAVZJRPWDBN-NDBXHCKUSA-N	767.254	6.383	50	40	KKGB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21	408663192	YHDOCZKCWDWDLV-DRYCXKJXSA-N	568.284	6.082	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408680395	GEBXQPPXTZOMAM-NLXTZRDGSA-N	635.567	5.982	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1)Nc1ccc(Oc2ccccc2)cc1	408691272	ZDDMRXPWHPSQAH-XMWSTLINSA-N	579.436	5.245	50	40	KKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1OCc1ccccc1)Cn1cnc2ccccc21	408691753	OUEPHEPZENIDNH-ZDLGFXPLSA-N	523.228	6.747	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccccc2)cc(Br)c1OCc1ccccc1	408729477	FUIQOUMQKAKPKQ-PCLIKHOPSA-N	550.456	7.499	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1)CCCC3	408732012	OCGAAQKKWOGFFT-MZJWZYIUSA-N	521.440	5.161	50	40	KKGB	
COc1c(I)cc(/C=N\NC(=O)c2cccc(-n3c(C)nc4sc5c(c4c3=O)CCCC5)c2)cc1I	408732254	QBVASZRCEDVJHN-DBFSUHOCSA-N	724.362	5.616	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c1	408744809	NCNLMOCUNDDJGA-ZDLGFXPLSA-N	544.218	6.784	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(I)c1	408765709	XHJCVOGTHCSTHA-XNTDXEJSSA-N	654.236	5.275	50	40	KKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408771803	IFGBTQCUFDCXOH-HAHDFKILSA-N	595.481	6.579	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408782931	LGXOEWDQOWYWAE-JJKYIXSRSA-N	505.684	5.645	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408787221	VBWVGHZCAIUXBF-JWGURIENSA-N	628.308	5.888	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408787462	AKNDPUSWUKCOFI-KGENOOAVSA-N	517.810	7.380	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408793518	FGCCHPSFSPVNSX-RQZCQDPDSA-N	536.242	7.824	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCc1ccc(F)cc1	408794011	HNIHNPZMTMCGEE-UDWIEESQSA-N	553.384	5.898	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1C#N	408798714	WRLNMROXPJHUNU-QGMBQPNBSA-N	557.231	6.761	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccccc1Cl	408811901	MZKHVOGMMJFPJV-XYGWBWBKSA-N	517.025	6.278	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408822152	BLMUPMNZKBXYTK-HZHRSRAPSA-N	547.413	7.836	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OC(C)C	408822487	BZICDCLYSRSAGY-FYJGNVAPSA-N	525.432	7.304	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(C)ccc3C)o2)Cc2ccc(Cl)cc2Cl)cc1	408823219	NFRSPLSBAIWONR-BJUCDSOZSA-N	627.550	5.992	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1)Nc1ccccc1Cl	408825456	AOYBVQMVOZCSRJ-FADJLKOXSA-N	582.104	5.444	50	40	KKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	408838921	KGFRJUPAHCKDQV-KBVAKVRCSA-N	617.412	5.601	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408839212	OVMPZPSSYBHYRR-XJECJHNESA-N	662.009	8.630	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408841944	HJCQTFHIHLFPKV-XJECJHNESA-N	709.009	8.472	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)c(Br)cc1OCc1ccc(F)cc1	408850597	OYDLZDRFHAXBCS-MZJWZYIUSA-N	501.352	5.338	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408855259	BASDSSMHNHPFPM-ALQBTCKLSA-N	635.142	5.329	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	408862739	HWMAWCDIALNRNQ-BIZUNTBRSA-N	591.089	5.012	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Cc1ccccc1Cl	408867932	MTLNLOCHJLLUQP-YBFXNURJSA-N	542.804	6.398	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	408871989	ITDZNFJVELQLEG-APTWKGOFSA-N	597.568	6.093	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1Cc1ccccc1F	408873250	RKMFBXSKGOFIET-CIAFOILYSA-N	507.403	6.740	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1Cl	408886118	IDNQKCODFAWZGN-IPPBACCNSA-N	542.216	6.892	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1c(Cl)cccc1Cl	408891524	RXYHMMGWGYTHDX-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OC(=O)c1ccccc1	408899231	OFZGDVQGGKPXKT-LICLKQGHSA-N	570.783	6.174	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccccc1C	408900630	XAWIETLYLQZFPT-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12	408901058	ZRUUTMDLENDBGW-LPYMAVHISA-N	602.441	7.042	50	40	KKGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	408911200	ZDJOEQSSHKZSDR-MIHYEXDHSA-N	633.337	5.607	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2Br)cc1	408921615	BJPFFRIIQMVTJS-GZTJUZNOSA-N	712.214	6.554	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)c(OC)c1	408951475	IWJXWGYRWSMXBM-PDQWDMBESA-N	767.404	5.906	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)c(OC)c1	408952506	KOIFCIAONBVKJU-OLDUKCEXSA-N	744.437	5.828	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408956668	ZIRCHLBSWWBMSH-DBSPGSINSA-N	651.561	7.314	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408966832	QTTONUFYIKAVIO-IBBHUPRXSA-N	568.413	7.118	50	40	KKGB	
COc1cc(Br)c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408969598	QMRPTPCUUBWKTF-SYGNGKJYSA-N	623.331	5.418	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCCOCCOc3ccc(C)cc3)c(Cl)c2)cc1	408969810	VBFVAPHWXSKJHR-PXLXIMEGSA-N	525.432	6.630	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCCOc1ccc([C@@H](C)CC)cc1	408971045	GHXULJUYRZYLBP-MXEPNMHZSA-N	539.470	6.583	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OCC)c1)c1ccccc1	408978643	JOKPRNIGMPCSIQ-XDRVCWSLSA-N	524.017	5.645	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408989598	UEXAEPUKSFWECC-OVCLIPMQSA-N	634.770	6.416	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)c1	408997936	PHHYMLOFDNQEBF-ZQKNPJFDSA-N	582.454	6.393	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCc1ccccc1Cl	409010293	BVNZOTKKYJMFKL-PNQUVVCRSA-N	732.594	7.957	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	409019959	YJJIEYYZKJFKGB-PREZWVLCSA-N	589.314	5.222	50	40	KKGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccccc2)cc1	409028539	ORHVXENQHZKRGC-AJBULDERSA-N	572.643	5.082	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1cccc(Cl)c1	409034251	QAXSDYFQMNCJIM-QXUDOOCXSA-N	536.031	7.297	50	40	KKGB	
CCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(Cl)cc5Cl)(c5ccccc54)[C@@H]3C2=O)cc1	409042818	XWIAXIWXLXEYAN-CDCQZJTISA-N	624.524	6.749	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12	409044115	NVBZEFDMJNBZKF-DPNNOFEESA-N	526.423	7.552	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OS(=O)(=O)c1ccccc1	409065089	HHELROFBWAOQGU-GZTJUZNOSA-N	515.341	5.198	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1	409065240	IKRLYLTYZOQXQR-NBVRZTHBSA-N	527.396	5.161	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409079254	AKEUZPFHYYREAF-VPUKRXIYSA-N	618.686	6.401	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409079443	FYVXUNWJGKINJM-FYJGNVAPSA-N	528.521	6.195	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409117974	MKAXOHFMTCSZKK-HNSNBQBZSA-N	612.535	6.317	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409119711	QMTULOKJTPUBEQ-NJZRLIGZSA-N	548.064	5.516	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C2=C1CC(C)(C)CC2=O	409133711	MSFBYYJMBZYLKB-AREMUKBSSA-N	556.490	5.964	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(C)cc2)cc1Br	409185392	LCBKKEIZPXOUBM-DPNNOFEESA-N	656.986	6.344	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCc4cccc5ccccc45)c(OC)c3)cc2c1	409186420	BVCHEDZXGWQUQC-KYHGBAKBSA-N	620.443	6.941	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1	409217247	UACLTUSZXXIKHT-LUOAPIJWSA-N	523.825	6.166	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409221090	KSSIYYUDDUYOMW-BKUYFWCQSA-N	588.727	7.100	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)[C@@H](O)c1ccccc1	409267171	TUBBHECMXVUDDE-HTHFWCIQSA-N	552.650	5.628	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409270037	NWTOTODXIQBILM-WOJGMQOQSA-N	510.377	5.874	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Br)c2)cc1	409272752	SFNNYJMVNZSLQO-ATVHPVEESA-N	540.801	5.674	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1OC	409312041	JARVQGBOLRHDIN-DBFSUHOCSA-N	537.827	6.406	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1OC	409316474	XXUCHXPFOOVYRK-MBTHVWNTSA-N	541.398	5.288	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)ccc1OCc1ccccc1	409320290	PVDPIEVFYIRUNA-YKQZZPSBSA-N	551.020	5.459	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1OC	409324452	SQDRQUCTOOCKHW-UHBFCERESA-N	559.432	6.127	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1OCC	409331398	CUMFVGLSMYJJTD-KYHGBAKBSA-N	537.443	7.287	50	40	KKGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409373886	VYLRJLYAWSMYFT-OPEKNORGSA-N	570.200	5.612	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc(Br)cc1	409394576	CJVJRRCICXGQFU-UHFFFAOYSA-N	809.534	9.521	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(C)=O	409396802	BIZYCSIRQHKYGU-UHFFFAOYSA-N	610.066	7.022	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409402540	WIMVFIQUSNBGIF-AEVGBRMKSA-N	689.538	6.958	50	40	KKGB	
COC(=O)COc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)cc1OC	409403522	NHCWRYFWXHNTAR-UHFFFAOYSA-N	566.010	5.244	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	1529547083	IODWADDVBJXYAK-VUSQDURTSA-N	740.891	6.873	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCc1ccccc1Cl	1529548911	PTQCLOUMFPJRLY-LNZKYNOCSA-N	749.027	5.417	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(F)cc1	661052	DSBQDXXOMKYODK-QFIPXVFZSA-N	560.363	5.223	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196234	IDEOVTAAGOMEDJ-PUHLOBNQSA-N	661.449	8.455	50	40	KKGB	
Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccc(N(CCCl)CCCl)cc2F)cc1	4809345	SJJPNWUBZLORTL-OGLMXYFKSA-N	508.446	5.970	50	40	KKGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1	9009867	VHZKZDOWVPFZQZ-MEFGMAGPSA-N	528.722	7.333	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	9762837	MLIHSBNVBFCDBH-COEJQBHMSA-N	513.667	5.873	50	40	KKGB	
CCCCCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccccc3Cl)c3ccccc32)cc1	46085109	RXSRLJMNUHMZMZ-QVTSOHHYSA-N	506.002	5.355	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	59101850	JEOGYHHLNLZKJZ-XKJRVUDJSA-N	510.299	5.680	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OCc1c(Cl)cccc1Cl	59291945	ZHTHZBWXSUFJCL-XSFVSMFZSA-N	503.385	7.280	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc([N+](=O)[O-])c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	97939492	OPIBFXNGGGGVBE-RHANQZHGSA-N	528.638	5.691	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(C#N)\C(O)=N\c3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1	97968649	GLPFJGDXKDLNCE-NLTRVXJZSA-N	576.472	6.340	50	40	KKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ncc(Cc4ccc(C)c(Cl)c4)s3)o2)cc1	97982710	LUPCPGGLJOSEGH-XQNSMLJCSA-N	560.075	7.458	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H]1c1ccccc1Cl	97984534	XCGKABZEXCGNLA-GDLZYMKVSA-N	625.606	8.965	50	40	KKGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(Br)cc(Br)c1OCc1ccccc1	100062702	KBTRRCAWYHISHA-ZMFRSBBQSA-N	581.102	6.246	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl	100122148	GZAXNWMVEVJMOW-RPPGKUMJSA-N	572.312	5.080	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	100129778	QPCGYXIVAZQRHL-HWIUFGAZSA-N	556.732	5.403	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)o2)cc1	100211006	XNFLRGYEGMMNLO-BIZUNTBRSA-N	573.671	5.470	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1	100227831	JBCVBQIDGSVELZ-NDENLUEZSA-N	572.830	6.776	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cccs1	100302950	MADHOOGOMXLVOF-AUEPDCJTSA-N	531.202	6.002	50	40	KKGB	
CC(C)CCN1C(=O)/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C2/C(=O)N(CCC(C)C)c3ccccc32)c2ccccc21	102051301	YPMRHHVIJIPWBS-CFTRLRGZSA-N	628.818	5.934	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	102932879	WLVRLLXRXAGLOH-CHHVJCJISA-N	537.186	7.333	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC	103900647	OJMJHANUKOUVKJ-STBIYBPSSA-N	544.073	5.100	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC[C@@H](Br)[C@H](Br)[C@]4(C)[C@H]3CC[C@@]21C	123218887	ZUDMAHKBJVVHNY-DDLCNDOBSA-N	530.473	9.245	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cc(I)cc(I)c1O	150373237	XJLIKKCWWZWNDS-LUOAPIJWSA-N	716.726	5.196	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1I	150382304	CENGNPGCCBFVQK-QDEBKDIKSA-N	613.020	6.147	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)cc2OC)ccc1OCc1ccccc1	408541273	YSXUQLXJOMOSQI-RODHXAHZSA-N	599.005	7.298	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542637	MSPQLXNCRGBDAX-JLPGSUDCSA-N	530.024	6.099	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(C#N)c1C	408547166	SPIJMOUMMTZKBC-VXLYETTFSA-N	583.891	6.819	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1	408566638	AUFVWTLGNSJTOL-CVKSISIWSA-N	509.609	5.182	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1ccc(Cl)cc1Cl	408580666	QMCNDZJPPWUCTG-VIZOYTHASA-N	556.056	8.301	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)Sc1nc2ccccc2[nH]1	408599295	SCLKURHQUSBRCF-RQZCQDPDSA-N	531.262	7.868	50	40	KKGB	
CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1	408637953	OIVPRYGUDWKUHH-IDISGSTGSA-N	568.497	7.206	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638024	BMDBSYAYMWUPIR-VCTPWBKUSA-N	756.483	7.817	50	40	KKGB	
O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2Br)c1	408677961	WLBMCCXLJCJSDD-LQKURTRISA-N	522.399	5.090	50	40	KKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1-c1ccc2ccccc2c1	408725035	NRYBVITXXKLNEO-SEBMTOOBSA-N	615.531	8.106	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408725537	JVORFCXEPNDOLI-UNOMPAQXSA-N	586.280	6.744	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC	408727475	ZHYPWQPTODZXHH-GDNBJRDFSA-N	508.743	5.454	50	40	KKGB	
Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccccc2Br)c1)CCCC3	408730701	HEXNLBSVMGPRNE-VYYCAZPPSA-N	521.440	5.161	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCc1ccc2ccccc2c1	408745947	BGSFEZRVECGCNB-OCSSWDANSA-N	580.422	6.195	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408746406	SMTVGTCMVLQQRR-NVMNQCDNSA-N	665.656	6.546	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408746539	ZWWYHOOFQMZBRF-NVMNQCDNSA-N	501.797	7.089	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)ccc1I	408747591	PZCCJPDYTDCFAK-JFLMPSFJSA-N	529.422	5.769	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408758754	QJYWPXZPBJZGEI-LGJNPRDNSA-N	511.028	5.210	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1)c1ccccc1	408774958	ZBJWPHPGLCALCP-FLZZOZIASA-N	546.671	5.265	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	408777451	ZQCXGLQUQRIGSD-NHFJDJAPSA-N	528.472	5.110	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)c1cccc(Br)c1	408780284	WSGXVNNZPPDUQT-QCDXTXTGSA-N	609.983	5.186	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408789637	QNTIQCNNOIYKQL-NDZAJKAJSA-N	633.542	8.705	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c1	408789877	SEVVJTKMRZXZFU-DJKKODMXSA-N	585.252	6.861	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)c(C)c1	408794244	RPLMHECLEBSRBB-VXLYETTFSA-N	558.245	7.092	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408796248	OOSBQVCMILSJMZ-UDWIEESQSA-N	661.290	6.364	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(C)c(C)c1	408817627	WKSKXSIYOOEBJZ-YDZHTSKRSA-N	566.439	6.740	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)c(C)c3)c(OC)c2)c(OC)cc1Cl	408820965	AXOKWEWIDKYPHM-AWQFTUOYSA-N	541.431	6.761	50	40	KKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC	408825897	KBAYREONQRBPBQ-DEDYPNTBSA-N	551.824	6.248	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c2cccc(Cl)c2C)cc1	408828467	MVYCWDJVYKVWAC-HNSNBQBZSA-N	611.164	5.130	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1	408833805	VAXFKPWQMCQUPC-RUMWWMSVSA-N	541.673	5.482	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OCc2ccc(C)cc2)c1	408835210	NEYDCCMPQLWERX-MFKUBSTISA-N	573.476	8.014	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1	408837955	AXXULEYOSARMFV-KVAAJVFYSA-N	662.949	7.561	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1OC(=O)c1ccc(Br)cc1	408840138	XXUYCFXQUPHLFA-MWBNBJEGSA-N	676.976	7.951	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1cccc2ccccc12	408840270	ABLNIMVCVIASNL-OEPDXVHDSA-N	698.042	9.474	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12	408842219	NWUAXFWFXAJWAM-KULFSUQXSA-N	583.639	7.755	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408846056	QLTQYWOYIFHTOR-AABVJFSESA-N	591.495	8.343	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408847708	OELLZXSIYQHQGR-CNCDYAKUSA-N	602.312	7.972	50	40	KKGB	
COc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)ccc1OCc1cccc(C(=O)O)c1	408850225	ISLLGEIUKBRYHS-UHFFFAOYSA-N	531.996	5.797	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(F)cc1	408854505	GXRKUBPDHXNXCE-QJOVZPHJSA-N	612.499	7.706	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1	408854998	LNXBXKDDUCBQEI-WKIKZPBSSA-N	542.227	6.609	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(C)(=O)=O)cc1	408864508	WMCGSZDATFUARF-VFLNYLIXSA-N	645.359	5.268	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Br)C(=O)Nc1cccc(C(F)(F)F)c1	408872947	LQIZIMIAZPRQKP-WOJGMQOQSA-N	519.748	7.258	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)c([N+](=O)[O-])c1	408885667	DPSHOVUWCCAAIF-RQZCQDPDSA-N	528.348	6.043	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)cc1	408890886	HYQRJFFLKXPQFW-SFQUDFHCSA-N	531.815	5.724	50	40	KKGB	
N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1c(Cl)cccc1Cl	408924996	PXNAQSOZVCJUDB-GZTJUZNOSA-N	502.195	6.881	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2Br)c1	408965223	UTLOZHZSZLBJEW-XKJRVUDJSA-N	570.203	6.882	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Br)cc1	408972271	OSAHMHMSVSMTRP-SKLCVJKWSA-N	689.445	6.558	50	40	KKGB	
O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	409002309	NDEYXKNBHWNMQI-WCMJOSRZSA-N	577.380	6.137	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008666	ZNCDXTKXNUPVCV-LQNQUEJISA-N	603.763	7.733	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)c2C)ccc1Br	409019932	KXMDQDKPRLGDKH-LUOAPIJWSA-N	655.128	7.042	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1	409024703	UVYCSMXXDVKBKT-NUJZUDFISA-N	616.253	5.710	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409050653	YEGQMSKSVHNNFU-KCSSXMTESA-N	539.060	7.550	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCc1cccc(Cl)c1	409071510	PELHZXGCXKYFAM-BUVRLJJBSA-N	531.008	6.378	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1	409076103	XULCQUPIWHLXTA-VXLYETTFSA-N	509.312	5.707	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc(Cl)c1	409090181	MAGLYJABSGIHLM-AWNIVKPZSA-N	645.613	8.130	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)Nc1ccccc1	409091697	RNSVAFUKYLUAHX-MBTHVWNTSA-N	647.254	6.784	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409092203	TUCXTKRWFVAMMO-OVCLIPMQSA-N	602.195	6.674	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	409139062	LXLVCZQQGJCWJS-NRFANRHFSA-N	573.197	5.623	50	40	KKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	409140844	SUEBGJIBEGKKFU-JOCHJYFZSA-N	565.194	6.101	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1	409186910	JJTRNCMGXVLPEN-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1	409190300	RTABWZBXPOFJSP-RPPGKUMJSA-N	597.101	6.082	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409203915	ZWYCVWMSMHXSDD-KKMKTNMSSA-N	509.893	6.302	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1	409222524	DRLCMNLAMWIVAB-LICLKQGHSA-N	603.698	6.737	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)cc1	409223175	FJPSTUXHFNSULE-RGVLZGJSSA-N	583.280	5.761	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OC(=O)/C=C/c2ccc(Cl)cc2)c1	409225880	RZBNOTPSESAMHX-GDJPKAAESA-N	588.447	6.637	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c(C)c1	409257941	UZELORVUMDYSRS-RODHXAHZSA-N	733.486	8.477	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409260039	JRUORRFZNNOCAE-RQZCQDPDSA-N	572.818	6.122	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	409261654	CLRQNSNJGONSMT-XESQOAJGSA-N	561.263	5.838	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1	409262242	FYYOZHVQRXWRKI-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1	409265912	WUNJJHINFNIKJH-APTWKGOFSA-N	561.667	6.644	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1	409266718	QZPKBGUIIZFDPN-FZKWRIDDSA-N	591.693	6.652	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1OCC	409303146	LSPCSHUJMQDPHZ-CNCDYAKUSA-N	681.809	7.142	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1	409312359	LATDPLFXIPBFQF-DXJNIWACSA-N	565.047	5.849	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1Cl	409313903	JJCOBOBPVKGWNV-MUXKCCDJSA-N	503.382	5.752	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Cl)c2)ccc1OCc1ccccc1	409314343	FTFIBFWHMKNSJS-OJYCWLPVSA-N	551.042	7.424	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)ccc1OCc1ccccc1	409316342	PULBQOMQQDTNKW-FZKWRIDDSA-N	643.545	6.901	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1	409361246	BPJLRKHQIKKKIS-HQDYHJHZSA-N	620.475	6.347	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)c(C)c1	409368871	QMVJWWAGKRIBFK-NVMPUMLXSA-N	555.700	5.788	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1cccc2ccccc12	409371768	NSMWAYLNDJSOBU-HMAPJEAMSA-N	502.383	7.783	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1	409373507	PWZVKNJVBCEVCU-WKULSOCRSA-N	615.265	6.558	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)c(OC)c1	409383902	OBQXOLZFIQIGLL-KKMKTNMSSA-N	676.676	5.909	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccc(Br)cc1	409384609	DTOTUQSIXKOXJX-XODNFHPESA-N	588.867	6.967	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1cccc(C)c1	409396771	BANPAKRYCLKQSU-UHFFFAOYSA-N	533.584	6.144	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397378	JFQNDXPAJJCTGY-UHFFFAOYSA-N	562.582	6.433	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409398121	QUAZVFNIFWDXEH-UHFFFAOYSA-N	562.409	7.117	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)c(-c3ccccc3)c2c1	409398909	WIPWZTNLKFFCII-UHFFFAOYSA-N	612.480	6.988	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(CC(=O)OC(C)C)c4ccccc34)o2)cc1	409404309	PTSZZNHNHKDTAC-FZPRHHONSA-N	552.631	5.936	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1	1529549439	YZMBFJOXUJVBGN-UUTVKSQHSA-N	655.546	5.052	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc([N+](=O)[O-])cc1	1531386378	FTQSXOKENASXLI-FZKWRIDDSA-N	594.624	6.526	50	40	KKGB	
COc1cc(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccccc1F	1531386421	LPKYMSYCDZIJLO-AEVGBRMKSA-N	645.087	6.849	50	40	KKGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)c1OCc1ccc(F)cc1	985863	SZRXBRHVLICJMV-AREMUKBSSA-N	524.596	6.220	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1	2283593	SPTFZWKNSWRJOO-XSFVSMFZSA-N	517.006	7.359	50	40	KKGB	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)O[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1	3280609	SMBKGZUJDDXIFU-FADXNGITSA-N	528.870	5.918	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	3666243	UIWKCPAWALJFJA-UZWMFBFFSA-N	565.427	7.246	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	13661838	VXDHHKZAQOKADE-UHOJPZGPSA-N	508.430	5.736	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	33354385	MOCHQVVFAXBKEW-IMUCOVGGSA-N	500.642	5.529	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1	59245177	HREZAFPFKVHMIR-CPNJWEJPSA-N	511.803	6.626	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1ccc(Cl)cc1	97962816	LYQAUECEPCKWTA-CPDSRJINSA-N	554.828	5.767	50	40	KKGB	
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1	97979229	ITVPYDDKDGMVHX-MEGCXXLRSA-N	534.410	5.537	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(C)n1CCC(C)C	97980004	DVJKSLUWKPUEBA-YDZHTSKRSA-N	540.491	7.198	50	40	KKGB	
Cc1ccc(CN2c3ccccc3C3=C([C@@H](c4cccc(Br)c4)C(C#N)=C(N)O3)S2(=O)=O)cc1	100032512	CICZQSKMAPAMPT-QHCPKHFHSA-N	534.435	5.284	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccc(C)cc3)c2C)cc1	100122591	ULOVIPPRMBWXSO-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2cc(Cl)cc(Cl)c2)cc1	100138933	SXMSDRRWZKBPHX-DPNNOFEESA-N	576.505	6.954	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240553	JMQVUCXOVGPUMG-MZJWZYIUSA-N	540.856	5.391	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc2ccccc2c1	100843735	AMXRPRNIBGAZDB-PPFNPFNJSA-N	547.728	7.326	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C)cc1	103846307	OEBDNWUBNFMBDU-QQXSKIMKSA-N	554.488	6.812	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(C(=O)O)cc1	103884290	YSAOIBAILJWJII-JLPGSUDCSA-N	590.474	5.381	50	40	KKGB	
CN(C)CCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCC[N+](C)(C)Cc2ccc(CCl)cc2)cc1	104196027	UFPTUVMLCNTPLQ-UHFFFAOYSA-N	532.281	5.977	50	40	KKGB	
CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341375	BTNDMOOFEQPQAL-SECBINFHSA-N	722.208	10.185	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1	150368519	RBYUDOWLAVQTOG-QJOVZPHJSA-N	677.566	6.859	50	40	KKGB	
Cc1c(C)c(C)c(CS/C(=N\[C@@H]2C[C@@H]3C=C[C@@H]2C3)P(=O)(c2ccccc2)c2ccccc2)c(C)c1C	169809434	WIUABJLTNQUZQC-HKCRHFQYSA-N	513.687	7.797	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539273	VAFYKCOKVPWUTA-IMRQLAEWSA-N	564.638	6.806	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)ccc1OCc1ccccc1	408539773	YUVSYCXOEHENNC-ZVHZXABRSA-N	678.377	8.020	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408550635	IOBSDHGPYFLAEP-RQZCQDPDSA-N	553.427	6.838	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1	408607143	NASDGKMFQWOFIP-MRXNPFEDSA-N	500.382	5.077	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408641600	CSYQAGLXGHXRAO-RGBOINFLSA-N	533.839	5.262	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(N2CCCC2)cc1	408676873	NGZJLTBHZDBXQU-AMVVHIIESA-N	581.725	7.352	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1ccc(N2CCCC2)cc1	408677128	PNXRIUCUSMODPT-LQKURTRISA-N	559.835	5.888	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(I)cc1	408711965	SPSYMVLXQQPLKL-OPEKNORGSA-N	659.072	6.067	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)o1	408742825	QAACYERBOSTFOM-GOJREDGKSA-N	566.617	8.052	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I	408744005	DDBFXODCCLACCX-JYRVWZFOSA-N	590.586	5.660	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)ccc1I	408746712	GAAXINJMTQAGNR-BRJLIKDPSA-N	566.237	5.542	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Br)c1	408751674	BIYJRCAMSRNEKO-YVLHZVERSA-N	557.198	6.244	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(Br)cc1	408757684	BNOOOLDSKHNSKA-MFOYZWKCSA-N	576.672	6.998	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408769070	NFMZHLBONUYTGK-KPGMTVGESA-N	559.997	6.166	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccc(Cl)cc1	408772671	QGYATDHNMVREBN-MOSHPQCFSA-N	601.872	6.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408787535	BLXSCLCLEMVNIN-CAOOACKPSA-N	638.245	7.030	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)cc1	408792950	MQILGWCFWJVOPC-XDHOZWIPSA-N	572.786	5.856	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc2ccccc12	408814580	GAZQOOYDLWUIIY-FYJGNVAPSA-N	531.381	6.875	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408825248	AYLOKSJCLHDSAC-OEAKJJBVSA-N	574.420	7.605	50	40	KKGB	
Cc1ccn2c(C(=O)N/N=C\c3ccc(CN(Cc4ccccc4)S(=O)(=O)c4ccc(Cl)cc4)o3)c(C)nc2c1	408832571	USWBFQNRDFGWLT-LJUMEUDFSA-N	576.078	5.353	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839158	NYDMXZZNRPIVGY-PUHLOBNQSA-N	788.849	8.825	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC(=O)OCC	408848766	SMWIZPPVXKIYMJ-ZXSNDDASSA-N	551.643	5.896	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1cccc(F)c1	408849090	YQCVHLDJLIFQRM-HBHSWBPBSA-N	698.480	7.320	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408861385	RJDOFGGWCSWHNN-ALQBTCKLSA-N	610.107	6.111	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2cccc(C(F)(F)F)c2)cc1	408877795	UORFABSZGUSPET-FABQOPTDSA-N	582.648	6.075	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCc1ccc(Cl)cc1Cl	408891459	QWDUDMVLUJYNDB-MWBNBJEGSA-N	585.572	7.965	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	408899494	PUKIOYYYMMCRHZ-LGJNPRDNSA-N	532.778	5.752	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408921521	BBLDPWJIKTXWQZ-CXUHLZMHSA-N	649.863	5.291	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c(OC)c1	408923761	LQRHOCZMMGNLQR-YZNMIGQISA-N	728.762	6.448	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccc(F)cc3)cc2)c1C	408946287	MBGFOJWQPRZOKU-UUWRZZSWSA-N	669.779	5.697	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2cccc3ccccc23)ccc2ccccc12	408946412	MWDXHYQLDQRNBH-BHVANESWSA-N	658.780	6.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccccc2C#N)c(OC)c1	408948530	CTKYJCOPIQLZJH-DBXYLJAYSA-N	849.420	5.075	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1C#N)C(=O)NCCc1c[nH]c2ccccc12	408951145	LTYJMBDHHZCPDN-JJFYIABZSA-N	698.302	6.094	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1F	408951443	UBFRNRCZYHXQJN-MHZLTWQESA-N	645.540	5.597	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl	408968922	CVFVXTPDIAFHAT-AZEAHAFFSA-N	625.380	7.328	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc3[nH]c4ccccc4c3c2)c2ccccc2)cc1	408980713	SOZVNLJECGISPJ-BEMCQEHZSA-N	510.619	5.190	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1cccc2ccccc12	408982858	ZNHFERHUKYYBOM-XAHJCJBOSA-N	621.759	6.686	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc2ccccc2c1	408984629	SGCQBQOFRJDKJD-CFRMEGHHSA-N	622.890	7.930	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc(C)cc1	408989123	KAQYGBVPDKTUJK-PCLIKHOPSA-N	501.026	7.209	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1	408989135	HBGLWYBDXILBTI-OEBLSADRSA-N	613.677	5.852	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)OCc1ccccc1	408993143	UVJXYIPWYCXVFI-JUARGDRKSA-N	752.835	5.746	50	40	KKGB	
C[C@H](C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025171	NAVCJUWGCCHPQI-QZLBSSPJSA-N	578.090	6.016	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	409038957	PYEWJXMVFPBZKC-OHUYPAJKSA-N	554.419	7.146	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccccc1Cl	409070083	KMPUAEDAPPMXHD-FOWTUZBSSA-N	517.788	5.416	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409081085	GDUIDNKKPMJWCY-WOJGMQOQSA-N	511.456	6.577	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1)S(C)(=O)=O	409115210	KLBNWVNHEKAQDW-OKCVXOCRSA-N	556.471	6.292	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCc1cccc2ccccc12	409140912	GWBWPAXCKPSWOJ-AREMUKBSSA-N	576.390	5.956	50	40	KKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cc4cc(OCC)ccc4o3)c2-c2ccccc2)cc1	409188195	XJMGYMBXZQELRZ-RQXXSLPSSA-N	597.671	7.897	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409202944	VIORWTMAFBEPMZ-XODNFHPESA-N	576.900	5.679	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(=O)c1cccc(C)c1	409217489	CMCGLBSCJUFOTP-UHFFFAOYSA-N	572.017	5.901	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c1	409225998	SCLKZROZFCHLAD-VGOYYPMRSA-N	593.552	5.446	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409231908	FUDDBVNAKTYKFW-SYERDGIWSA-N	599.400	5.241	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccccc1C#N	409250649	XSIDWZPBMVRMEB-FDVSRXAVSA-N	510.363	5.130	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1	409256829	NQRQRJIWUUAHLH-BOPFTXTBSA-N	617.827	5.525	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)c(C)c1	409257986	SHONIVKVBGNIFS-VCHYOVAHSA-N	599.279	6.097	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409262588	IBJPTJNGNBVIHE-RGVLZGJSSA-N	583.382	5.907	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OCC	409304543	RWEWPPTXVZZQQJ-LQNQUEJISA-N	540.016	5.318	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409316361	MMQCQQCZOUTLLA-MUXKCCDJSA-N	571.866	5.976	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409318274	YAQSZDAJXDCQJV-UXHICEINSA-N	603.311	5.809	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	409337324	ZKLKCFQJNVTSCS-GTWSWNCMSA-N	531.528	6.392	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409366367	UPWYZIRTGBMCST-YKQZZPSBSA-N	510.550	5.133	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1F	409378962	SXPJUOWJTJVYRI-ODLFYWEKSA-N	507.949	5.668	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1cccc(C(=O)O)c1	409385379	KBEXYRRKPOPEGG-KKMKTNMSSA-N	631.404	5.464	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409387862	SLIYHIGXLAWRGJ-BOPFTXTBSA-N	572.818	6.203	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409397347	IXKODZPYOSTWPL-UHFFFAOYSA-N	596.039	6.714	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(CC)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	409397812	OHOWZEKSSDHMQS-UHFFFAOYSA-N	596.083	7.441	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(O[C@@H](C)C(=O)O)c(Br)c3)o2)cc1	409400253	CHMZQTYXMQNSDA-PIEWVDTRSA-N	614.880	6.298	50	40	KKGB	
COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(C(=O)O)cc1	409400435	DDOXQECTUBRJMF-UHFFFAOYSA-N	593.636	6.316	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccc(Cl)cc1	409405052	RWYZUTBPVZNJOO-KOKCXWAISA-N	723.995	8.266	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Cl)c(Cl)c1	1529548727	MVJKBSDJOXVGJR-LBEBILTRSA-N	667.615	6.186	50	40	KKGB	
C[C@@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)N(C)[S@](=O)C(C)(C)C	1857795235	XEDQKICLGCSFKO-NHAOOCMXSA-N	555.724	7.331	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1	1067140	YTWBXGAHWLSVRY-AREMUKBSSA-N	514.676	6.017	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc(Cl)cc1Cl	1778479	BGUKSIHAMBAONV-UVHMKAGCSA-N	522.889	6.653	50	40	KKGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1829002	ZSQUQKITEGEFQF-ROTWHSIKSA-N	525.678	6.148	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)ccc3O)nc3sc4c(c3c2=O)CCCC4)cc1	2595949	LLQMPBMKRWIDNQ-XODNFHPESA-N	583.533	5.345	50	40	KKGB	
O=C(COc1cccc(Br)c1)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12	3167654	DNIOWCYLJIGNEQ-WKULSOCRSA-N	568.265	6.473	50	40	KKGB	
CC(=O)[C@H]1[C@H]([N+](C)(C)CCI)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	4900116	OOYJKRZDSBCHSQ-DWKSCWABSA-N	514.512	5.005	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	8456072	CZBOXXQNDGBSDT-PIIWDFAUSA-N	541.007	6.345	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H](C)CC)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	10059562	ZMUIWIXFKQLUSO-HJHSVFMCSA-N	519.554	5.255	50	40	KKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1	13297917	BKVBTXKBTUFQEI-AREMUKBSSA-N	515.679	6.003	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3Cl)nc3sc4c(c3c2=O)CCCC4)cc1	19861344	RDMUYCIMQYKQNR-MUXKCCDJSA-N	523.083	5.530	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1	32114601	AMRAXQDZONUTNB-PHOLXNHUSA-N	510.997	5.142	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)c2C)c1	58915031	ZFWHWLFOVROCOA-ZCTHSVRISA-N	528.678	5.365	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)ccc1OC(=O)c1ccc(Br)cc1	59211912	TXZBQFVEEUJDLM-NUJZUDFISA-N	604.295	5.975	50	40	KKGB	
CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1	96306108	LLPAABWYMXLFAP-UYRXBGFRSA-N	500.451	7.155	50	40	KKGB	
Cc1ccc(S(=O)(=O)n2cc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c3ccccc32)cc1	97958827	ZEKMJTGHZPHXSQ-QXUDOOCXSA-N	573.759	6.570	50	40	KKGB	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	98048698	OLRWUTCDEZSKFV-MUUNZHRXSA-N	568.655	5.188	50	40	KKGB	
CCOC(=O)C1=C(C)NC(Sc2ncc(C(F)(F)F)cc2Cl)=C(C=O)[C@H]1c1ccc(Cl)cc1	100926777	VWHQXEWPGCMPMV-GOSISDBHSA-N	517.356	6.134	50	40	KKGB	
CC(C)(C)c1cc(Sc2c(F)c(F)nc(NNC(=O)NS(=O)(=O)Oc3ccccc3F)c2F)cc(C(C)(C)C)c1O	101392457	MYMRJAPUEGXOQT-UHFFFAOYSA-N	616.659	6.040	50	40	KKGB	
CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccc(OC)c(COc3ccccc3[N+](=O)[O-])c2)s1	102347932	KASMBQCEKKRXQL-LDADJPATSA-N	535.578	5.529	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1F	102719267	QPGDKIXJDWEOGX-HHHXNRCGSA-N	528.609	5.541	50	40	KKGB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	103042589	YWXPCOUIGFQXKY-UHFFFAOYSA-N	588.151	5.280	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	103897288	HWEYIWLZUWOHRD-JWHWKPFMSA-N	603.144	6.253	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341800	VXYQBPGOESBNQK-GOSISDBHSA-N	848.451	13.696	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1Cl	150353040	HXYZYBGERPXHNR-QNVXDBMFSA-N	653.360	7.352	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	162481577	WMOXBKMWVZHYGF-XKJRVUDJSA-N	694.229	6.022	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164697308	PWHWBBDLURBQFZ-NDENLUEZSA-N	697.198	7.195	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795437	OWLFPIMBQCEKFC-HOTGVXAUSA-N	1014.290	14.262	50	40	KKGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	195772993	YZHKRXBIMOGRMG-RHQSAMMMSA-N	610.037	7.109	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(Br)cc1	408527984	GZFIDGMOVZSRJI-KLPHOBTLSA-N	662.244	6.222	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408536807	BFIDTKWJHMZPJQ-BKPOFFDFSA-N	739.681	9.800	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OCc1cccc2ccccc12	408568391	SZMQANGGSHKDIM-QFEZKATASA-N	556.403	7.358	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1	408570647	XITVFWMJRPGVLE-VFLNYLIXSA-N	734.394	6.622	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl	408606722	AKJJJXGKGGLSMH-VFLNYLIXSA-N	520.800	5.001	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408659606	WBNNJQSJLFTESK-QAHMESRPSA-N	702.183	5.264	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	408672230	MMPGTMJBZLIAII-UQOPEDAQSA-N	574.313	5.346	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408675820	BLGCUXVGQRLBOA-KBVAKVRCSA-N	630.458	5.211	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1	408710542	CYKVTFNXHLLRFM-CCVNUDIWSA-N	547.833	5.861	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Cl)cc1	408724703	GVCBXYCTJZVYMS-OVHUDYNESA-N	505.840	5.967	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2I)cc1	408744964	IUQGRPLKFSTZQH-UNOMPAQXSA-N	528.777	6.378	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(C(=O)O)cc1	408745257	QPYYMKDWMQQFDF-JAIQZWGSSA-N	568.367	5.431	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccccc1Br	408751339	FCUVTBNCOSLYNP-KCSSXMTESA-N	541.493	6.179	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(Br)cc1Br	408768194	UTIXZUKIZRLEGY-YVLHZVERSA-N	621.123	7.107	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1)c1ccccc1	408770919	CIRRNJCCFJHSGE-VVNQULFPSA-N	558.103	6.652	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	408772637	DTZQAVMORWFWKU-RDRPBHBLSA-N	527.090	5.149	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(I)c1	408777913	LUMXCKSFFZAMBF-CVKSISIWSA-N	602.281	5.334	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408790357	VUVOJWWRBQNSLE-VXLYETTFSA-N	566.364	5.579	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)c1	408793718	GBBGLSLWZFKZIV-AFUMVMLFSA-N	511.419	7.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1cccc(F)c1	408795697	MTEVPRZXUALJSN-RGVLZGJSSA-N	556.375	6.262	50	40	KKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I	408796341	OSUFDQJNOUJMKS-AWNIVKPZSA-N	545.602	5.960	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1cccc(Cl)c1	408802465	FITHNQGBWYKYRY-CAOOACKPSA-N	579.221	6.731	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1	408810317	JLBVHPAEJUFLBA-NDENLUEZSA-N	650.254	5.707	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	408825786	JKQYPFUQRVTGAV-BJUCDSOZSA-N	619.021	5.432	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccccc1	408827402	GYXIBTXGMYFFTD-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccc(C)cc1	408830978	UGJWRFJBGUTEQT-AJBULDERSA-N	544.677	5.147	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(Br)cc1OCc1ccccc1F	408840080	XLAUNNSSMHVAFU-IZYHBKOJSA-N	659.581	8.505	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(C)cc2C)cc1	408842091	NYRVWLKLCWVSQX-ATZGPIRCSA-N	597.568	6.672	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)Cc2ccc(Cl)cc2Cl)cc1	408851162	VRSASNBLAYQMPP-NDENLUEZSA-N	649.383	8.138	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1)c1cc2cc(Br)ccc2o1	408858394	RZJWMYGYUWEJAB-PPDIBHTLSA-N	701.096	6.747	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccccc1Cl	408858477	ZGLJLGVNJLXSSN-CIAFOILYSA-N	525.830	6.304	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(F)cc2)cc1	408863569	STGQGXVSMIDXFU-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)cc1	408864240	URPSECZRPOIMDY-UXHLAJHPSA-N	551.068	5.102	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1Cc1cc(C)cc(C)c1	408866926	HMGHJGXXUNGWAE-CIAFOILYSA-N	554.403	6.582	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408878303	ZYROEDHGQPTTIZ-ZHSUKTGHSA-N	672.388	7.693	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)c2ccc(C)cc2)cc1Br	408882423	NAEKSIFXZUTJIP-MWBNBJEGSA-N	745.490	6.770	50	40	KKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)c(Br)c1	408886749	IVVHZRWFBGRCOC-XDHOZWIPSA-N	526.228	6.645	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(F)cc1	408888253	XYJKXPIBGDSNHI-WKULSOCRSA-N	507.359	6.093	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1c(Cl)cccc1Cl	408891259	NQSMKFSEASBOEQ-DHZHZOJOSA-N	507.127	6.470	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408897666	ZHRWTGWWIOTDDY-MHWRWJLKSA-N	643.286	6.228	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)cc2I)cc1	408904708	NKEGQWOSPSCIAU-ZMFRSBBQSA-N	578.248	6.405	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408933638	BRBPOFBHPPEBCJ-CPDSRJINSA-N	584.854	6.337	50	40	KKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	408947255	BMFJUEDDKZYEKN-ULJHMMPZSA-N	506.005	6.819	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCc2ccccc2C#N)c(OC)c1	408948533	CTKYJCOPIQLZJH-DLVDTJDKSA-N	849.420	5.075	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c(OC)c1	408948616	CZACUVHOHAHVAT-DMFIQNIRSA-N	641.508	5.301	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccccc2)c(OCC)c1	408951507	UJXVHBCCNDLWLO-GDLZYMKVSA-N	637.158	5.203	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(F)cc1	408964889	SZPCBNILTVPVJE-VVEOGCPPSA-N	539.323	6.349	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408967953	YGIPRUDMPVRLQC-IPBVOBEMSA-N	548.766	6.653	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccccc2)cc1	408982506	YEHYOASZFNLYSC-RYBVODPGSA-N	549.096	5.616	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409004287	BSJKSYJMTSSXFU-KCSSXMTESA-N	582.509	5.914	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCC(=O)Nc1ccccc1	409048538	RROGMNYJSZQNSM-LDADJPATSA-N	564.383	5.648	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)NCc1ccccc1	409068915	UOZUYUGYHMCPBB-WOJGMQOQSA-N	576.266	5.203	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409073323	GWWABQPXCPWUQF-LFIBNONCSA-N	535.380	5.845	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1	409183811	DPBMTPQIXLTENJ-HNSNBQBZSA-N	588.730	5.382	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	409202885	TUMHBGMZHLAIKG-KKMKTNMSSA-N	610.857	5.473	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1	409224657	LDBOQVGBSDCRKP-UHFFFAOYSA-N	576.436	6.628	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409225421	QPKYJYVFNGAFCY-CIAFOILYSA-N	503.986	5.837	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)n1	409232484	INJVTDVQWYYDRC-OPEKNORGSA-N	658.303	5.124	50	40	KKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	409242109	MAMSLAZZKMLBNA-UYRXBGFRSA-N	504.468	6.471	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1	409248142	CFERJGBQPPWCKL-FYJGNVAPSA-N	625.463	5.879	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409258847	VQYNWNDUPMNQEB-JAIQZWGSSA-N	538.431	6.572	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1cccc(C)c1	409261377	BARSUWVGEVCBLK-IPHFVPNQSA-N	581.669	6.153	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409265445	UYMWIEXOONOZNB-NUJZUDFISA-N	558.860	5.899	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409271472	LIGKVNZSUAYMFF-WKIKZPBSSA-N	531.352	5.082	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)ccc1OCc1ccccc1	409309345	FUMPNTMTKWELHG-OHUYPAJKSA-N	558.034	6.017	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1OC	409310754	WJOZAKZFHMTCRP-MBTHVWNTSA-N	513.363	5.505	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1ccccc1	409319656	JTZCWDODQNEDHV-MNBJERMJSA-N	545.433	6.380	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1OC	409324463	UITNNRHHKIVJAA-FDVSRXAVSA-N	561.860	6.251	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	409372190	TZEUZWUWOMHGHC-IUXPMGMMSA-N	504.167	7.307	50	40	KKGB	
Cc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Br)cc3)c(-c3ccccc3Cl)c2c1	409395003	IRFZROBPPIMXSA-UHFFFAOYSA-N	744.665	9.067	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)cc1	409395606	PRNQIYHNPUHGDZ-UHFFFAOYSA-N	539.591	6.980	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(OC(C)=O)c(OC)c3)c(-c3ccccc3Cl)c2c1	409396283	XMEUCEXZEMKRIJ-UHFFFAOYSA-N	704.961	7.567	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2Cl)cc(OC)c1OC	409396599	ZGMWQWFZZOGBRS-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409396902	CRULKXZMIGEFHT-UHFFFAOYSA-N	555.949	6.339	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(OC)c4c3-c3ccccc3)cc2OC)cc1OCC	409397869	OXEIGYPHTMALRU-UHFFFAOYSA-N	637.689	6.641	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409401076	GIHWKRSATDYXPT-AEUUOICLSA-N	673.520	7.288	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCc1cccc(F)c1	409405714	UVQSOZCTODOICP-WBIBEUCMSA-N	626.641	7.055	50	40	KKGB	
CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409407353	ZLTZUMIHRDTRRG-FDVSRXAVSA-N	536.972	5.990	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccc(F)cc4Br)o3)o2)cc1	409410511	XRWHAQCKRQBONV-ZMGVVAQMSA-N	576.422	7.192	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Br)cc1	1529548967	QZGDAXHUGPIGLE-LGKFVODTSA-N	677.621	5.642	50	40	KKGB	
C(#CP(c1ccccc1)c1ccccc1)P(C#CP(c1ccccc1)c1ccccc1)c1ccccc1	1650567	VMFVZCXWMPAYDX-UHFFFAOYSA-N	526.496	6.896	50	40	KKGB	
CC(C)(C)OC(=O)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)/C(=C\c2ccc(Cl)cc2)C1	2056347	YFWOQBJKRYYPKI-KELOHDTKSA-N	510.421	6.389	50	40	KKGB	
O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cc(-c2cccs2)nc2ccccc12	3202425	NEKSLYXRURYNRF-PPFNPFNJSA-N	524.649	8.197	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)ccc1OC(=O)c1cccnc1	3230097	FJTUULOPMQWYHY-MWBNBJEGSA-N	556.578	5.387	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccccc1Cl	4196298	ONOBNZMSTMAPRQ-RQZCQDPDSA-N	532.221	6.889	50	40	KKGB	
Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6194066	JIMUSIJZSKRZJA-PMJZGZFMSA-N	574.884	7.613	50	40	KKGB	
CN1c2ccc(CCI)cc2Sc2ccc(CCI)cc21	8448139	DGGNESHDGZFURU-UHFFFAOYSA-N	521.205	5.874	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c1	9311011	MOCMVEDKBHFPHW-NDENLUEZSA-N	511.405	6.915	50	40	KKGB	
N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NCCc1ccccc1	9345359	VKHQYJOCBCCYSC-NBVRZTHBSA-N	505.361	5.059	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	20195159	XJHYTAMOTINONY-VFLNYLIXSA-N	505.829	6.544	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1	32520854	GWVIDLFVIWHCNX-KKMKTNMSSA-N	516.406	5.965	50	40	KKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	59336640	XUYBTIWOPKUKSO-VBKFSLOCSA-N	507.352	6.272	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(O)(c1ccccc1)c1ccccc1	59435299	BOGPTFNPJKNBAV-FDAWAROLSA-N	505.401	5.959	50	40	KKGB	
C[C@@]12CC[C@H](OC(=O)COc3ccc(N(CCCl)CCCl)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12	95670471	YMLNFFIBJFJMPJ-WYGFZWSPSA-N	579.609	6.173	50	40	KKGB	
C=CCN1C(=O)/C(=N\NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)c2ccccc21	97944467	JSBFQWKEBCONHZ-GRRPDDODSA-N	556.066	5.010	50	40	KKGB	
CSc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	97959157	DXQWDELMFPZCJJ-VYYCAZPPSA-N	528.490	6.205	50	40	KKGB	
Cc1ccc([C@]2(C(F)(F)F)N/C(=C(/C#N)c3ccccn3)O[C@H]2C(=O)c2ccc(Br)cc2)cc1	97981170	AEPPTCQQDBSTRG-DHMXGSSLSA-N	528.328	5.674	50	40	KKGB	
O=C(N/C(S)=C(\C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	97984554	DZJVCONTCQDFSK-UHFFFAOYSA-O	544.636	6.392	50	40	KKGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1I	98001662	RORQVBWFWNBQHK-ORBVJSQLSA-N	771.425	6.980	50	40	KKGB	
O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)[nH]c1SSc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1	98048292	NBSNAKOFMFUFSP-UHFFFAOYSA-N	630.798	6.932	50	40	KKGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)c(C)c1	100100251	FVKXEJBYSSAIOJ-VTNSRFBWSA-N	560.561	7.671	50	40	KKGB	
N#C/C(C(=O)Nc1cccc2ccccc12)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1	100859506	RNMNZEQSKHODIH-LVVXZCGBSA-N	544.463	7.212	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(I)cc2)cc1	101710701	ICDKEYRAUOWOGK-HMMYKYKNSA-N	524.358	5.815	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C3=C(O)CCCC3=N2)sc2c1CCCC2	102891044	RPSCLYLEFQIPLP-QHCPKHFHSA-N	551.690	6.346	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1	103861029	JTERHXXPHPZZDO-VXLYETTFSA-N	585.252	6.861	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	103901640	ZORAXBCTALLKHL-JEPNHJGPSA-N	618.542	7.071	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	105627055	KRWJIBPJZDJQQO-CAQPMQTCSA-N	577.634	5.079	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12	112254583	LVEYSMVDVRUQRO-GAQMAEIGSA-N	562.629	5.389	50	40	KKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)CCCC)CC[C@]4(C)[C@H]3CC[C@]12C	118918065	FZJXXSXLNFVUGM-JZUQMKTFSA-N	563.705	10.182	50	40	KKGB	
CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341359	ARTIJIILMATBNO-VIFPVBQESA-N	622.194	8.915	50	40	KKGB	
CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341757	IFJUTKWHUKOPCG-MRXNPFEDSA-N	920.411	14.187	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341794	AGPPLHDXJQVLSS-SFHVURJKSA-N	748.437	12.426	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408553110	XKYNINPVYQXJCR-OYKKKHCWSA-N	527.418	7.001	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1	408568344	STNFOWPTKDZDIT-ROTLSHHCSA-N	565.751	5.204	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc(Cl)cc2)c1	408581308	WCBPBUQVFKHVDY-VCHYOVAHSA-N	560.673	7.255	50	40	KKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408598567	DQIOTSXBBHXROT-VCHYOVAHSA-N	584.395	6.320	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1C	408606375	LSHFYQMEYLYFLQ-GOSISDBHSA-N	541.435	5.124	50	40	KKGB	
O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1CC(=O)N(c1ccccc1)c1ccc2ccccc2c1	408672545	NSMBIJIWEOCWFB-BIKTWNJESA-N	582.292	5.282	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408688986	XJAIRMHULBEGGC-BDXSIMOUSA-N	623.556	6.126	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)c1	408745996	PZIXISFEVUVQGU-NVMNQCDNSA-N	621.244	6.716	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408753940	OUBWCGMYYRXVHO-OQLLNIDSSA-N	562.785	5.324	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408761275	DPKIJHRZAAKRQE-MHDJOFBISA-N	573.436	5.629	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(C)c(C)c2)cc1	408776089	LQPPWAAHMDKBES-FMFFXOCNSA-N	535.669	6.264	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(I)cc1	408820125	UBNJAXYEQQWOGR-PDGQHHTCSA-N	528.321	5.564	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)S(=O)(=O)c1ccc(C)cc1	408827466	JWYOIWNQUYSWIQ-KCSSXMTESA-N	579.122	5.719	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1	408831493	PNQNJCPGJACFAC-IBBHUPRXSA-N	606.915	6.160	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2Br)cc1	408834559	UPBOTZAUKMFFRM-ZVHZXABRSA-N	622.346	8.768	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccccc2F)c2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839508	UAOWWEFPDRITDI-XJECJHNESA-N	580.088	8.113	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839620	USXVSHRNONRDKY-AABVJFSESA-N	607.950	8.857	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1	408846010	QGSCSRAHXCTTBZ-VTNSRFBWSA-N	635.312	6.755	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCC(=O)Nc1ccccc1	408847418	VKORPOAUACPKAV-BKUYFWCQSA-N	573.447	5.222	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	408864380	ZNIFZGZIRBKQBI-VTNSRFBWSA-N	687.956	5.944	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408865632	DJQQBVJZHBKENN-FABQOPTDSA-N	655.560	5.674	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408874903	FBUSBFVISBQWRZ-CAOOACKPSA-N	569.794	8.189	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1Cc1ccccc1F	408877278	UDDJMUUHEDFFPV-UDWIEESQSA-N	584.385	5.752	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(I)c1OCc1cccc2ccccc12	408882744	QOBKOQMILCHJPC-WCMJOSRZSA-N	637.499	6.806	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Br)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1	408883698	WCXILVYANNXRAL-XSFVSMFZSA-N	517.810	7.380	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1ccccc1Cl	408887224	MUHKWMKEBBDYEO-WOJGMQOQSA-N	511.361	6.215	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(I)c1	408891297	OEODBFHOZAEUHI-LICLKQGHSA-N	593.646	6.832	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccc(C)cc1	408892828	DDTQACVWPBHLSP-OEAKJJBVSA-N	527.418	7.044	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408896798	SXCBUJSOWIGFFT-NTEUORMPSA-N	509.818	5.403	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1	408909418	HATGLELBTAGLOX-KEIPNQJHSA-N	521.016	6.458	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1	408913913	VENJUIVZBXOSKZ-XHLNEMQHSA-N	507.656	5.119	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(Br)c1OCc1ccc(Cl)cc1	408922029	DLIWUECXCIGVFD-UIGQDENISA-N	715.985	5.419	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCc1ccc(Br)cc1	408922558	FFAPIKQYFSBGKH-LICLKQGHSA-N	586.236	6.043	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408934706	CUZIDRASPQPKNV-JRZNSJKLSA-N	613.117	8.334	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408941650	FASFAWBRQOHUDN-NDEPHWFRSA-N	657.576	5.466	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12	408942025	FDXCOOKZZCMJLC-YTTGMZPUSA-N	643.165	5.957	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408945012	JZSRWFZXYOXQRX-GDLZYMKVSA-N	706.048	6.510	50	40	KKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)c2C)c1	408967326	PXTZBGYCELZUNY-RPPGKUMJSA-N	563.246	5.265	50	40	KKGB	
O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2Br)c1	408968411	WJXXNOUUKOUGCR-KVSWJAHQSA-N	521.289	5.509	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408970365	GTQCIXRGFBYRLH-POPVJJPVSA-N	662.352	5.620	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1	408985895	YRHCZOKSXCZHNE-IUXPMGMMSA-N	672.663	7.121	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1	409013028	JVTUGPDJPLLMPC-JQRSWJALSA-N	591.448	5.619	50	40	KKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)o1	409014853	QKCFPNJVZQAESK-YSURURNPSA-N	610.158	5.741	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)Oc1ccccc1/C=N\NC(=O)c1ccco1	409016047	UFKZOKBNJSHSNK-LIPTWAHBSA-N	514.921	5.535	50	40	KKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	409029567	ATWDUFXICXYSKF-FADJLKOXSA-N	507.593	7.398	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	409036229	AWYQIZOSPBQZHK-OCSSWDANSA-N	577.504	7.044	50	40	KKGB	
O=C(O)COc1c(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1I	409038763	FOGAQTLREVCOIU-QDTIIGTASA-N	630.236	5.496	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OCc1ccc(Cl)cc1Cl	409039463	GQXAGBGBIJMUAR-CLHYIUPASA-N	596.514	8.289	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(Cl)cc5Cl)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1	409039734	RYEDMRCQCOKBMW-QXKSOOLNSA-N	625.468	6.177	50	40	KKGB	
O=C(N/N=C\c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	409119860	QSHKKZHCEGXZJI-AAPHRLRXSA-N	592.386	7.293	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)cc1	409151968	IJHGPLYLWBRGJS-KPGMTVGESA-N	692.938	5.547	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1	409156825	USUDRDNNVAVPRL-XAZZYMPDSA-N	660.363	5.642	50	40	KKGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	409185453	ZCQSQDSFJYZDSD-XICOUIIWSA-N	598.124	6.802	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)cc2c1	409188805	GJJJJQQHPRLEBV-VYYCAZPPSA-N	538.354	5.845	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409191683	KQVPPCCATCTTQM-UVHMKAGCSA-N	530.806	5.201	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	409218973	LZNTYCQDEZFEFC-DLCNMLRHSA-N	622.461	6.255	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)c1cccc(C)c1	409226622	VOYLCHTUNCDJPG-UHFFFAOYSA-N	511.534	5.222	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1	409233081	JTUBRRBRLJEBRB-WCEBZYJUSA-N	509.375	5.960	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1	409244510	DUVAYHPNKWVPRR-VEILYXNESA-N	569.499	7.236	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1	409258848	VRTWFECOHPJCGC-GZTJUZNOSA-N	544.822	6.609	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)ccc1OCc1ccccc1	409266327	QSJFFVOQYYPOAH-QMRORBIVSA-N	626.924	7.406	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)cc1Cl	409270347	DLLGTUPGRZOYNL-OCKHKDLRSA-N	542.850	7.135	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1OCC	409300697	ABWZMGYOZCZXTL-LQNQUEJISA-N	522.001	5.393	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409305726	WYAQOPWPWZTVIH-VQTJNVASSA-N	603.311	5.809	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1OC	409310209	SCGAQOXLBCHRBM-NUJZUDFISA-N	618.278	5.826	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)ccc1OCc1ccccc1	409315420	VIOVPZNYOFKAKN-KYHGBAKBSA-N	535.427	6.924	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409336360	RSWDZXDFVHFEOO-HMAPJEAMSA-N	576.390	7.394	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1	409362931	KMFSDDKKUZOMNK-OCKHKDLRSA-N	512.787	6.873	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(Cl)c3)[nH]c2c1	409374559	SYZFGIOOZJOLHH-APSNUPSMSA-N	503.216	8.128	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl	409378074	NEIJZYZDKZJDSW-OCKHKDLRSA-N	610.279	6.671	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)cc1	409394463	ATQKIRUFCYJZGB-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397807	OGRYVGAKSKPNFY-UHFFFAOYSA-N	642.033	8.652	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccc(C(=O)O)cc1	1531386386	VCBFXEXNYKOVMI-KMUKQRDJSA-N	593.636	6.316	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1884694	SQFUSWYJOWQKSN-QXUDOOCXSA-N	577.758	6.585	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1	1888958	QWDLRHHCGAMRSQ-MZOFLMDJSA-N	540.447	5.918	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F	2311235	ALAJJKAABXPETN-JOCHJYFZSA-N	517.960	6.160	50	40	KKGB	
COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1	2342168	VUVZBWSZJVMJKM-YMGIJWJESA-N	534.435	5.523	50	40	KKGB	
Cc1cc(SCC(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C)cc1Br	3231989	HLUCKMJDPUYJID-ZCTHSVRISA-N	544.518	7.778	50	40	KKGB	
COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(OC)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667568	GTODKDGDKROYGW-XMMPIXPASA-N	531.678	5.753	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3C)=C(C#N)[C@@H]2c2ccco2)cc1	12250181	GRVHKGAFNUQXND-HHHXNRCGSA-N	512.635	5.857	50	40	KKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCCOC)=C(C)N1	20170925	BYGKDKGEIRFSNJ-RUZDIDTESA-N	526.058	5.160	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(CC)cc3)=C(C)N2)cc1	20347596	UXZRCNLJEUJYKI-MUUNZHRXSA-N	526.662	6.111	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1cccc(Cl)c1	55301004	CUBLPPDMQMKMQD-QNKGDIEWSA-N	526.084	5.834	50	40	KKGB	
Cc1cc(OCC(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)ccc1Cl	59192745	DVZCLXIISWNILL-AERZKKPOSA-N	555.448	5.171	50	40	KKGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	83301751	UIWYWLOVWKCDLS-LDCYPDTQSA-N	501.410	5.935	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)c2ccc(F)cc2)N1	97951243	GPRCRKQUEOKZKW-HHHXNRCGSA-N	533.024	6.535	50	40	KKGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)cc1	97961079	TXOSJKFQNZKNMJ-UBMNCRINSA-N	573.123	6.231	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc(OC)c1OC	97962166	MIVMQIWAWXLALJ-MZFJOGFUSA-N	540.572	5.128	50	40	KKGB	
C[C@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	98045838	DCGJBWJHTJMBHU-PYWPZVNCSA-N	627.468	5.023	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)c(C)c1	100122308	CXOMJJCXYYTSKV-FDAWAROLSA-N	532.641	5.196	50	40	KKGB	
Cc1cc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c(C)cc1Br	100395017	NMRCQAZVYBNJKU-JIYBTHTKSA-N	619.192	5.343	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)cc1	100508771	QSCZBSSRDZKQBD-WVNMZDRLSA-N	571.081	5.307	50	40	KKGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cccc(OCc2ccccc2)c1	100853123	PEAJTJYRFAEVSW-VYYCAZPPSA-N	541.123	6.305	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1	102807606	XOFQSWAUCYEUFA-XMMPIXPASA-N	522.989	5.779	50	40	KKGB	
CCCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)F	103528732	LJCSEPLJTSOTPS-QFIPXVFZSA-N	504.503	10.174	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	103883107	PXRYWPWHKAZRNP-STZFKDTASA-N	526.851	6.482	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	103890377	AFHCFQDZSMXGDB-YVLHZVERSA-N	536.242	7.824	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	105171181	HFTYWIKUEGEMCV-LICLKQGHSA-N	535.747	7.246	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1	112264756	TZIMPULGFOLWPX-VULFUBBASA-N	534.781	5.686	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](Br)C(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C	118914443	QPEUNNHJRQSZCH-DWGOVDNPSA-N	544.456	8.424	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Cl	150350205	RCUBQJOZSCOKMQ-GXGXPYJXSA-N	692.866	6.059	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1	150352437	MMSFSPUAPILMLS-KPGMTVGESA-N	701.165	7.176	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	150371173	GFYWMVLYHSJLHQ-PMNVOCJDSA-N	653.466	6.085	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccccc1C#N	408542057	JRXOJPTVARWCEY-FBHDLOMBSA-N	546.377	5.542	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(C#N)c1C	408547168	SSWGIDAGDRJYPR-RGVLZGJSSA-N	515.547	5.311	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2Br)cc1	408551068	ARVFQHKOERWRGU-XDHOZWIPSA-N	575.488	6.133	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC	408551717	FOQNUZBTUPXUSC-MHWRWJLKSA-N	559.429	5.612	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553330	NXGWDCUKTATRAQ-NVMNQCDNSA-N	558.849	6.835	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1	408568190	IHDZFGQXTRVBHE-VFLNYLIXSA-N	842.300	7.087	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1	408581163	GYNKWCBRLCROSQ-VCHYOVAHSA-N	533.647	7.517	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408644738	RPIFZMKQLDSKIT-RVDAZCDBSA-N	679.620	6.153	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	408650155	ZOVOWJHASHKWCN-SSSFQFABSA-N	610.730	5.281	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc(I)cc1	408712010	VNSQNWVTBGIGNA-KBKYJPHKSA-N	648.520	6.813	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1	408746670	VFYVXPBUECWYIZ-ZDLGFXPLSA-N	511.347	5.730	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408771482	GTAPPNDDJXTEKM-ZDLGFXPLSA-N	575.290	6.955	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc(I)cc1	408777205	WRMHXCPWKRSXNZ-ZXVVBBHZSA-N	575.472	5.150	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	408785125	XXCYPTQULQRSDL-ZTKZIYFRSA-N	556.526	5.791	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408791562	YSNYONIAKKURAS-VCHYOVAHSA-N	516.222	7.189	50	40	KKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)c(Br)c1	408794444	JBSKWQQYKPDXAH-LTGZKZEYSA-N	513.391	7.142	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc2ccccc12	408795638	LUNIAVHXDMHLKQ-CIAFOILYSA-N	558.388	6.644	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(Cl)c1	408805927	CMRHUBWPRNCEJK-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1c(C)ccc2ccccc12	408810205	PDKDAINZVBQDGH-HYARGMPZSA-N	667.341	8.039	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OCc1c(C)ccc2ccccc12	408821242	FEHJYZFQCXTMMD-WSDLNYQXSA-N	635.942	8.105	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408834008	UEZZHUHJDVSZBM-WSBIKYRQSA-N	813.782	6.687	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(Br)cc1OCc1ccc(Br)cc1	408853104	LNNCTWFEFWUPEL-WOJGMQOQSA-N	574.244	6.874	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	408865283	CTGGWQLFMKQXFM-KCSSXMTESA-N	687.410	6.145	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408867112	JJKAKFWQIDPIPH-QNVXDBMFSA-N	725.876	7.651	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	408870330	UKLNLRPQIUWTOJ-ALQBTCKLSA-N	635.142	5.329	50	40	KKGB	
O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1cc(Br)ccc1O	408875922	HXHVJSNYTAEHPZ-BQENTMBCSA-N	671.345	5.884	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1Cc1ccccc1Br	408881110	JLDZXOKNHOWNQT-RQZCQDPDSA-N	564.694	7.944	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1Cc1ccccc1F	408882104	PTRUHEYFQIUKMD-VCHYOVAHSA-N	524.346	6.032	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2Cl)cc1	408892232	ABBFQWSCTVMMRB-LFIBNONCSA-N	501.753	6.420	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)c(OC)c1	408947611	BDTROJRGKHQZTF-GGMOOUJYSA-N	767.404	5.906	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccc(Br)cc1	408956940	RVLLCGFKGXBYGH-WTIDAYISSA-N	735.632	5.884	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)c(OC)c1	408957873	WOAUVWLYPLKUMU-PDQWDMBESA-N	720.404	6.064	50	40	KKGB	
CCCOc1c(I)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC	408969390	NBBSOKXTLPZRDS-MYDHEWDHSA-N	678.395	6.234	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408971751	KQZPLSNZKBAGQY-RWRYAUHPSA-N	624.952	6.871	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1	408995158	AFPVSFISTGDJTQ-KBVAKVRCSA-N	576.834	6.338	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)cc2Cl)cc1	409013821	WBBSKLBTCOIBBT-VPUKRXIYSA-N	658.117	7.758	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409021607	PPBCZQFGFPOYES-DANHRZQXSA-N	587.084	8.152	50	40	KKGB	
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409035528	PYEZPPINYPGGHY-NTEUORMPSA-N	540.403	5.282	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)C(=O)Nc1ccc(O)cc1	409043930	FXFCZIJBVQHBSJ-CXUHLZMHSA-N	546.190	6.181	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12	409049638	ZJSJRVBFBHZZKP-KHMIOVBJSA-N	591.023	5.144	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1Cl	409051783	MZXGBQOJNIOKJA-KBKYJPHKSA-N	581.648	6.425	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2o1	409058111	RHJCQGKHDSBMKD-CXUHLZMHSA-N	555.182	6.904	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409081342	NRLFCKBMBXDGMJ-NTEUORMPSA-N	566.717	7.367	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409091607	QHTSZBJVHAGPTO-OVCLIPMQSA-N	513.293	6.456	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)OCO3	409095334	HNZMBTVZOUFDGO-JOCHJYFZSA-N	593.204	6.124	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccccc1Br	409109565	HGTCWMHMZUCXMX-JFLMPSFJSA-N	569.308	5.140	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409120083	VABPWVZMQKMZRG-MUFRIFMGSA-N	528.074	5.337	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccccc1F	409130733	UNIFWZJBSUICBY-AREMUKBSSA-N	645.513	5.791	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409165068	RYPQMAAONBZLKO-WCMJOSRZSA-N	595.494	5.133	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)cc1	409223648	GTCDCODDYYPQEV-FYJGNVAPSA-N	518.411	5.938	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(C)cc2)c1	409226764	WRHOQKYTKQHBOS-UHFFFAOYSA-N	620.887	6.655	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409235761	QJOHJMUYDWTSSP-VYYCAZPPSA-N	530.350	5.167	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1cccc(F)c1	409245441	SXXUHDZOQVTKFB-MUXKCCDJSA-N	503.343	5.398	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5cccc(C)c5)c(Br)c4)cc3)cs2)cc1	409262463	FBMHYSUCHXZHOD-AEUUOICLSA-N	654.590	7.714	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409270161	CQUNWZDQBXLNPJ-UUYOSTAYSA-N	562.464	6.255	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	409272432	QGGWWELYHIHIIG-WOJGMQOQSA-N	558.354	6.340	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OCC	409309338	FRBKEQNWQVNWMQ-NUJZUDFISA-N	521.828	6.787	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1	409365282	ZJYSAJJAFDWMND-MBTHVWNTSA-N	562.835	5.924	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(I)cc1	409367762	FMESTQQDTXRNED-MFOYZWKCSA-N	640.069	7.368	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409372791	KMAYVTKYUZNHQI-VTNSRFBWSA-N	590.474	6.099	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1	409373397	RJLRLXTTWVUKGZ-VYYCAZPPSA-N	530.350	5.167	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccc(C#N)cc1	409373817	UZMGEEAIPXQDLX-OCKHKDLRSA-N	633.183	6.319	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409386237	PAKJWMQVDKAIPQ-DPNNOFEESA-N	552.700	7.449	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc(Cl)cc1Cl	409395002	IQKAFLMQNJOPAE-UHFFFAOYSA-N	733.187	8.492	50	40	KKGB	
Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3Cl)[nH]c12	409396289	XNCSGKOMQWWJGN-UHFFFAOYSA-N	700.214	8.958	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(Cl)cccc4c3-c3ccccc3Cl)cc2OC)ccc1OC(C)=O	409396913	CWYUXWYKJBAZSV-UHFFFAOYSA-N	646.483	7.067	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OC	409400445	DEFGKMQWDZUOAS-BVMLUPFRSA-N	645.348	6.962	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1O[C@@H](C)CC	409403144	LYEHAAZQEACRJW-KSQHNDHQSA-N	555.675	6.944	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409406657	XLLWKHHNOKBRBV-WBIBEUCMSA-N	687.547	7.678	50	40	KKGB	
CC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(COc4ccc(-n5c(C)ccc5C)cc4)o3)o2)cc1	409408237	JNNIRJBAJXIOOS-CAQPMQTCSA-N	521.573	6.493	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1COc1cc(C)c(Cl)cc1C(C)C	1785274	WUIDQJQGMWBOSO-VNTWQREPSA-N	570.304	7.061	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1OCc1ccc(Cl)cc1Cl	1876928	MBZRJXUOSJMKQC-IPPBACCNSA-N	570.458	5.378	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Cl)nc3sc4c(c3c2=O)CCCC4)cc1	2220291	RDMUYCIMQYKQNR-CCVNUDIWSA-N	523.083	5.530	50	40	KKGB	
Cc1c(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C	2605468	KAYHUFSEOKUVJC-ZBJSNUHESA-N	574.641	5.128	50	40	KKGB	
Cc1ccc(NC(=O)[C@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)c(C)c1	2667727	PSSXLCREZXGFSL-VHSSKADRSA-N	508.092	5.928	50	40	KKGB	
COc1cc(Br)c(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(Br)c1	3116026	MOUMEDQSODUSMT-UVHMKAGCSA-N	542.227	6.056	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(Br)cc1	9008682	URNJJNNKLJUHTI-HYARGMPZSA-N	507.504	5.534	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccccc1	12250176	CCMOYAJPQSEJEY-MUUNZHRXSA-N	524.646	5.079	50	40	KKGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1	19951675	YRTFZKKSSASTEK-UHFFFAOYSA-N	504.096	6.312	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1	32114603	AMRAXQDZONUTNB-YCRPJSQGSA-N	510.997	5.142	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(F)cc1	59333328	MAHJJQXEIDUMGE-OOAXWGSJSA-N	525.624	5.788	50	40	KKGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	59887452	GHIVQTNTENWUHN-ZCTHSVRISA-N	548.064	5.649	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccccc1	97960504	QMMHEQOUPSRZAH-ZCTHSVRISA-N	592.515	5.369	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)c2C)cc1C	100122726	BXVXMRAACNYRQF-KCSSXMTESA-N	563.123	6.018	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccccc1O	100840631	LPIGISVSNBPQJH-DICXZTSXSA-N	512.422	5.579	50	40	KKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	100858860	QAUGJQRTWAZGJN-BIZUNTBRSA-N	574.772	6.446	50	40	KKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ncc(Cc4cc(Cl)ccc4Cl)s3)o2)cc1	100878833	ADEDCKPCBRZVMZ-KGENOOAVSA-N	580.493	7.803	50	40	KKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1sc2cccc(Cl)c2c1Cl	102619580	BSBJLTUHBUURHO-VFLNYLIXSA-N	525.848	7.478	50	40	KKGB	
Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)c1	102656058	CLJSKGHGSRSCIZ-YRYYUTHUSA-N	505.206	5.070	50	40	KKGB	
CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	102808522	SFXGRYXUGDGFRH-NDEPHWFRSA-N	557.075	6.249	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	102808651	HQIVUARAXMEJNC-MUUNZHRXSA-N	572.090	6.005	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccccc1[N+](=O)[O-]	103754202	WWVXNIKJDVYJGB-CCVNUDIWSA-N	569.580	5.513	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12	103888265	ARVRNCCTCFWWAG-IWIPYMOSSA-N	541.445	7.434	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	103896473	CCNULELKAPWJDE-UVHMKAGCSA-N	522.226	6.036	50	40	KKGB	
N#C[C@H](C(=O)/C(=N\NC(=O)c1ccccc1O)[C@H](C#N)c1ccc(Br)cc1)c1ccc(Br)cc1	104285967	JRHDLKYYKPTMNO-IBAMJDMASA-N	580.236	5.187	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1	164697691	MUXVSVKHUMCHMJ-STZFKDTASA-N	646.298	6.028	50	40	KKGB	
C[C@]12[C@@H](c3ccccc3)C[C@@](C#N)(O[Si](C)(C)C)[C@]1(C)[C@@H](c1ccccc1)C[C@]2(C#N)O[Si](C)(C)C	169809298	LRHBAWMZMYGFDN-OZAHYKMTSA-N	516.834	7.602	50	40	KKGB	
O=C(COc1ccccc1)N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408528204	UGRSQURYNOEMOQ-WKULSOCRSA-N	662.265	6.157	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC	408540173	OCDUGDSCKZTYHV-ZHZULCJRSA-N	533.894	7.786	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCc1ccccc1C#N	408542455	JNTVGTAMKGJJHF-FBHDLOMBSA-N	546.377	5.542	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408552069	NROPCSXOKMXFGA-CPNJWEJPSA-N	554.430	6.354	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1nc2ccccc2s1	408554000	XYVICMQJJLMNEN-VGOFMYFVSA-N	549.266	7.992	50	40	KKGB	
N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br	408570343	UFIDNNRUTQTXAV-AMVVHIIESA-N	647.414	6.670	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408640770	ISBWQIZEETUMNE-LWSSLDFYSA-N	781.679	6.484	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)ccc1I	408747556	PMLMFUXZBXPJGR-UVHMKAGCSA-N	609.258	5.722	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1OC	408756395	RAGNOMYQHADUMT-MDWZMJQESA-N	527.156	5.007	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(F)cc1	408759204	ZSOBUSVHYJJIGM-ZDLGFXPLSA-N	574.244	6.874	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1	408766664	WKPQSDUIRWNNEY-NBVRZTHBSA-N	506.356	5.021	50	40	KKGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1	408784088	SKIUYOISORHDOP-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccccc1C#N	408792931	MNPVTXCTXPSROK-VXLYETTFSA-N	522.786	6.107	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1	408793707	GESJECDAZLUXQG-YBFXNURJSA-N	600.263	6.131	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408794238	RODXGOHDVMKWLD-ZVHZXABRSA-N	699.372	8.700	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)cc1	408794251	RRKHOUZOJNRECS-UDWIEESQSA-N	616.839	6.255	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1	408795884	NLCUXLGRJIPCDH-YBFXNURJSA-N	574.258	7.057	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c(C)c1	408796146	XEDYGYRCYZOSLA-QGMBQPNBSA-N	703.145	7.944	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408799389	YXCVOJXNNKYDPY-HZHRSRAPSA-N	608.319	8.460	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br	408807469	COMNCRLOBHTWRG-KGENOOAVSA-N	513.391	6.741	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408811218	MLNBBCJCANKFCE-MFOYZWKCSA-N	564.238	7.418	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)c(OC)cc1Cl	408823460	DJLAFKXMCRADQZ-RQZCQDPDSA-N	562.247	6.898	50	40	KKGB	
Cc1ccn2c(C(=O)N/N=C\c3ccc(CN(Cc4ccc(Cl)c(Cl)c4)S(=O)(=O)c4ccc(Cl)cc4)o3)c(C)nc2c1	408824547	QWYPRUOBGVSFCS-UHIZKJEFSA-N	644.968	6.659	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Cl)cn34)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408829977	MRFHDSSVMMLCJC-ZMGVVAQMSA-N	590.105	5.661	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)c(OC)cc1Cl	408836569	SNWKYSAGFGYWSE-VXLYETTFSA-N	541.829	6.553	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408841595	LTGCSAYZUAKQBT-UZWMFBFFSA-N	578.090	5.663	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408842955	KTWDBUADAICPGF-JOXMEQDKSA-N	712.069	9.864	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)Cc2ccc(Cl)cc2Cl)cc1	408845357	GEOSRVUURUQDHO-BKUYFWCQSA-N	659.389	7.594	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408846570	TWFKJNAWGRWXTH-JJKQSNDFSA-N	623.882	7.593	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1ccc(Br)cc1	408847248	ULRLLWCLBXBLPD-FMFFXOCNSA-N	600.469	6.012	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cc2ccccc2o1	408851223	WNEPIKBRFYCUDL-PPDIBHTLSA-N	562.645	6.954	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1Cl	408857403	UWQIMDWFCZOAEY-DBFSUHOCSA-N	606.698	7.353	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1	408858586	UFHYCTCNPLNOPO-KBVAKVRCSA-N	551.868	6.926	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1	408860836	GGTPPEWMWJYBHN-JEPNHJGPSA-N	668.168	5.689	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1Cc1cccc(F)c1	408865155	BJLUMSSURTWZLW-RQZCQDPDSA-N	528.321	5.281	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	408869243	QAYHNKQYPOCHKI-GISVKQOSSA-N	732.822	5.598	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1Cc1ccccc1Br	408871354	ZGKOFCKDRGRECZ-RGVLZGJSSA-N	601.282	6.816	50	40	KKGB	
Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408877639	WRQRCGQIEMNIAX-MTDXEUNCSA-N	551.484	7.781	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408882830	SJMNTHHWQNFIIU-YRNVUSSQSA-N	517.679	5.725	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC)c1OCc1cccc2ccccc12	408885943	HCTXXJWWLRXBKK-MUFRIFMGSA-N	519.395	5.962	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F	408893136	FUVGVOOYENHTDS-VCHYOVAHSA-N	540.345	5.938	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(Br)c1OCc1ccc(Cl)cc1	408922026	DLIWUECXCIGVFD-OLDUKCEXSA-N	715.985	5.419	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408943393	SJKPFGIRIMCVSX-BIZUNTBRSA-N	578.090	5.269	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OCc2ccc(Br)cc2)c(OC)c1	408948582	CXFOWQYBPNMXLA-VOSMKULASA-N	856.306	6.124	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1	408948924	QAMTZNDMVQDMHW-MHZLTWQESA-N	797.897	6.171	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)c(OC)c1	408950195	GODGRQAORWGPLZ-OQMZEJBMSA-N	730.012	5.809	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408957579	VCQOCOBTWOCKFX-JVWAILMASA-N	573.387	5.260	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cccc(C(F)(F)F)c1	408962361	HTQKMGLEXLIBCJ-VPUKRXIYSA-N	546.170	7.118	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C)c1	408971993	NFUXTZGSVPVNOP-JLYQEJHHSA-N	634.560	6.535	50	40	KKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1C	408982748	YWQKCJHZHOHNCS-BKZXGXTDSA-N	513.041	6.067	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1Cl	408982765	FFJQAWPOUCGWJU-IUXPMGMMSA-N	578.663	7.437	50	40	KKGB	
N#C/C(=C\c1ccc(SCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	408988139	CVVKGSWMVPYBTH-FYJGNVAPSA-N	543.004	6.678	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCC(=O)Nc1ccccc1OC	409012088	ITVCGWMQGNRPQH-BIZUNTBRSA-N	540.620	5.283	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1cccc(F)c1	409016822	JQAGLRQKMVGEQX-CPDSRJINSA-N	538.373	5.253	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409019254	IMORYIFUOIQGCE-ZNLRHDTNSA-N	728.957	6.031	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccccc1Cl	409034858	OREWTYXKVQAWLO-GXBUFBABSA-N	536.031	7.297	50	40	KKGB	
COc1cc(I)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(Cl)cc1	409038015	UKCWPFJQRIFBNF-FABQOPTDSA-N	647.900	7.511	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-]	409040365	YLYCQJMZAJYELO-WKULSOCRSA-N	577.391	5.278	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409065978	OEWRIEQUIOWYQF-ZVHZXABRSA-N	535.471	7.862	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	409067161	BSCOKJOEFLGEMK-GIJQJNRQSA-N	622.337	6.141	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409086128	YPAIPGJUYFVHOY-LFIBNONCSA-N	553.325	6.002	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1Cl	409125898	AITQPICUAUTLID-QHCPKHFHSA-N	542.861	5.810	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(Cl)cc1	409139793	CAFAQDKNOBQSFC-HSZRJFAPSA-N	528.834	5.420	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409175376	RBOJZLWYVKPAJY-FJEPWZHXSA-N	648.885	5.012	50	40	KKGB	
O=C(Cc1cccc2ccccc12)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12	409179572	QJKPZVLRMHKGCV-AIQSHKMISA-N	606.638	5.644	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Br)cc1	409191108	SIPKKVUDWPPYON-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1ccc(Cl)cc1	409194095	NUCYIWKDDUSYRW-BRJLIKDPSA-N	569.624	6.050	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409219659	OVLWUWDNDKSUED-UHFFFAOYSA-N	651.594	5.975	50	40	KKGB	
O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	409223125	HBCVCRYSQPTZRL-RAWMCFOBSA-N	526.601	6.392	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409225363	PJJBHDAZBJITAI-OVCLIPMQSA-N	568.766	7.229	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)n1	409235118	AYBCSXDAVPNUQS-CCVNUDIWSA-N	535.467	5.831	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cccc(OCC(=O)Nc5ccc(C)c(C)c5)c4)cc3)cs2)cc1	409255690	IKIORJTXNYEMQT-KMUKQRDJSA-N	589.721	7.260	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)ccc1OC	409313523	CFPZNBPUEVSMAU-ULPWCQAASA-N	631.148	7.269	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409316807	MLXKXZPUWIKYDB-FGZHOGPDSA-N	562.475	5.119	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409319093	ADBLSRDALWYFEQ-UXHICEINSA-N	568.866	5.155	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1OC	409319755	LHSASQZXYVRJOE-QDTIIGTASA-N	580.248	6.101	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1OC	409320288	CONDMUPMVKDQOE-QDTIIGTASA-N	580.248	6.101	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	409326223	IMCOOJQNGWGEAG-CAQPMQTCSA-N	560.006	6.569	50	40	KKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	409364493	PWOULDFFVPJPHN-NUJZUDFISA-N	597.280	6.441	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1I	409374759	YOKUVYNHXFWIGP-AUWJEWJLSA-N	613.193	5.087	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccc(Cl)cc1	409386136	ONCWEUFHBYYJEK-XODNFHPESA-N	588.867	6.967	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409395145	KJJNRKFGFXMJGX-UHFFFAOYSA-N	602.872	7.243	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409395545	OXKSROUEAUAEOT-UHFFFAOYSA-N	671.762	8.549	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(OC(C)=O)c(OC)c1	409396122	BUESCVPKTACRCA-UHFFFAOYSA-N	640.092	7.112	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)cc1OCC	409397014	DZWOQGRAMHKZFQ-UHFFFAOYSA-N	596.083	7.577	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397690	MVSBPPSWOPABQM-UHFFFAOYSA-N	626.069	6.844	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCc1ccccc1C#N	409402338	JUKSZWVNHYLMKX-DBSPGSINSA-N	588.664	6.879	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCc1ccc(C)cc1	409405372	TUHFDRWPRNEPHI-KDHRXPGNSA-N	617.746	8.045	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)o2)cc1	409406312	BNGZCGNLVKVIGP-GXBUFBABSA-N	549.675	6.504	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(I)cc3)o2)cc1	409410664	ZLKLXYCFEMWKCW-DICXZTSXSA-N	539.373	5.635	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3C[C@H](Br)[C@@]4(Br)C[C@@H](OC(=O)C[C@H](C)CC)CC[C@]4(C)[C@@H]3CC[C@@]12C	504649561	VKBCMZKYIQGGGT-RFSBBIOBSA-N	644.617	10.635	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c([N+](=O)[O-])c1	1529548130	AILNMHFNXFNKGC-QLGGRFKNSA-N	716.998	5.475	50	40	KKGB	
C[C@@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc2ccccc2c1	2097306	USBHZXBMRDYYOM-RQQFFKHGSA-N	506.635	5.664	50	40	KKGB	
C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12	2766083	AYDNSUMACJQNKJ-AASYHSMQSA-N	537.841	6.752	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](c2ccc(Br)cc2)P(=O)(c2ccccc2)c2ccccc2)cc1	3177640	MUWZDNWLKHKOKZ-SANMLTNESA-N	540.419	5.749	50	40	KKGB	
O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1sc2ccccc2c1Cl	3250747	OOANHBXARIXDAX-BIZUNTBRSA-N	506.030	7.930	50	40	KKGB	
CC(C)(C)c1cc(/C=N/NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc(C(C)(C)C)c1O	8431934	RAVDEKGTUFAXOC-XICOUIIWSA-N	522.693	7.058	50	40	KKGB	
CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C/c1cc(Br)c(Br)o1)=C\c1ccccc1	8448760	SCCMNLODXFIADO-WTWLOMDPSA-N	557.242	5.672	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)n2C2CCCCC2)cc1	9076327	SQDQEOVEJPQEDZ-VULFUBBASA-N	513.023	5.563	50	40	KKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1	9335082	HDGJPLJAYZGFHQ-OQKWZONESA-N	518.635	6.715	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@H]3C)N=C3CC(C)(C)CC(O)=C32)cc1	13175292	RDCYZPXRHDAUKC-CLYVBNDRSA-N	513.663	6.312	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc(F)cc1	16311311	CAEFYXLLKJKFFD-OCSSWDANSA-N	520.655	5.406	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=C2CCCCCC2)cc1	20233075	GSBJRZFIJLZVHG-UHFFFAOYSA-N	524.086	6.484	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(C#N)c3)c(OCC)c2)cc1	20764926	UISQFOHSMWHQGE-MUFRIFMGSA-N	522.399	5.461	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	28217979	KMZFSWIWCDDCEP-MZJWZYIUSA-N	513.457	5.896	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl	59255564	ULIQZIYWEFNYII-FYJGNVAPSA-N	503.385	7.280	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(OCc2ccc(Cl)cc2)cc1	59410675	SYZZEIMJWRIGAM-KBVAKVRCSA-N	505.401	6.915	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	59882936	WUGBTTYFQGPBQJ-FMFFXOCNSA-N	592.117	6.048	50	40	KKGB	
O=C(N/N=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(O)(c1ccccc1)c1ccccc1	96477245	XSZJXOZLSXZOTC-NTFVMDSBSA-N	509.787	5.749	50	40	KKGB	
N#CC(/C(O)=N/c1ccc(F)cc1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1	97970168	ICMFAUOZDZCEPW-FNBPXTNNSA-N	556.844	6.956	50	40	KKGB	
O=S(=O)(/N=C1\C(Br)=C(Br)/C(=N\S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Br)[C@H]1Br)c1ccc(Cl)cc1	97983312	UVNNXZBWWIJGNO-YFTBUISBSA-N	772.944	6.495	50	40	KKGB	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c(C)n1-c1cccc(C(F)(F)F)c1	97984846	MAGWNWAZWGDTMH-CPNJWEJPSA-N	539.351	7.925	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OCc1ccccc1	100060082	XIXSMCJVHMKJIF-UDWIEESQSA-N	526.394	5.740	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)Cc2ccccc2)cc1	100070315	LUJRXNOIKALYRQ-APTWKGOFSA-N	585.730	5.011	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)c2C)c(C)c1	100122823	GWOMSMFXNCIIFU-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Br)cc1	103755359	NKGCLNZPETYDSX-JAIQZWGSSA-N	617.281	6.804	50	40	KKGB	
O=[N+]([O-])c1cccc(N[C@@H](c2ccc(N(CCCl)CCCl)cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c1	104198166	ISRWDFHEPRJBBM-GDLZYMKVSA-N	600.439	8.341	50	40	KKGB	
C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341148	OKNUBXRKTJDFKF-GSVOUGTGSA-N	738.060	9.115	50	40	KKGB	
CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341738	IGCVTPSDLNOIHO-INIZCTEOSA-N	770.390	12.281	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342060	UEPSGWDDNYBNRE-REOHCLBHSA-N	942.051	11.564	50	40	KKGB	
C[Si-]12(OC(C(F)(F)F)(C(F)(F)F)c3ccccc31)OC(C(F)(F)F)(C(F)(F)F)c1ccccc12	195793559	FGYNIRVMKGXYLG-UHFFFAOYSA-N	527.357	5.527	50	40	KKGB	
COCOc1ccccc1[P+](Cc1ccccc1C[P+](c1ccccc1OCOC)(c1ccccc1OCOC)c1ccccc1OCOC)(c1ccccc1OCOC)c1ccccc1OCOC	219795412	QXZVBMRLRUYQKS-UHFFFAOYSA-N	989.048	8.571	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	253617031	JBHLEOSHZKKTQZ-OZMVWAATSA-N	693.521	6.391	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCc1cccc(C)c1	408540831	BZIHRJAZXJGWLM-JMIUGGIZSA-N	521.367	5.589	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408543117	PBZMDKRQFGENGB-ODLFYWEKSA-N	539.357	5.767	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	408581933	JRWOBDRQQMJTGQ-XDHOZWIPSA-N	514.397	5.607	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1OC	408583666	WENAOQFDSJHVTA-OEAKJJBVSA-N	500.392	7.263	50	40	KKGB	
CCc1ccc(NC(=O)COc2ccc(Cl)cc2NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1	408602556	DSCMLUPOTOJKIL-GOSISDBHSA-N	541.435	5.070	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408611203	QEVGJQLSQPWZBZ-KVSWJAHQSA-N	549.252	6.041	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408676090	FEQNUSSIMXYTKP-LQKURTRISA-N	508.962	5.200	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccccc1Cl	408676142	GATHDRXURUHWIS-OCSSWDANSA-N	512.437	6.335	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	408742975	DCGGUFWUEJSUKI-UYRXBGFRSA-N	522.355	5.881	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)c1	408746672	VGKGXPVINQVQPV-ODLFYWEKSA-N	525.374	6.120	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)ccc1I	408748190	ZTXQWRTXQWPNCN-KKMKTNMSSA-N	676.676	5.909	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1	408758189	HHQYQLPPRIDGPU-SFQUDFHCSA-N	517.390	5.624	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408773402	QXYLIYLCQRBWLZ-VTNSRFBWSA-N	581.060	5.859	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)c1	408789729	KNIJPPIHAUKQDK-CIAFOILYSA-N	552.368	5.731	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1ccc(C)cc1	408790043	MPYRSYKWBVNGCJ-WGOQTCKBSA-N	630.482	7.312	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(F)cc1	408792234	JWDQJRMTNNVBPH-RQZCQDPDSA-N	573.318	5.472	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1F	408797630	SSYMDXZJNITEQT-XDHOZWIPSA-N	525.374	6.120	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OCc1c(C)ccc2ccccc12	408806300	AZVNDQXZNGSKIP-YDZHTSKRSA-N	636.917	8.238	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Br)cc4)cc3)cc2Cl)cc1C	408823268	DPEQNELGIUEZME-WGOQTCKBSA-N	601.928	8.423	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2cc(C)cc(C)c2)cc1OC	408827595	FEVPXWJPKXARFO-SEBMTOOBSA-N	637.758	6.398	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC	408827657	FQBDSEHVNPWLRY-MYBYBSHWSA-N	758.919	5.688	50	40	KKGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408836249	ZZRACKQXKLVKCH-XDHOZWIPSA-N	556.243	6.893	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(C)cc1	408837956	AYBFAJJVJGCNQP-ODNPBWNPSA-N	702.618	8.517	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCC#N)c(I)c4)cc3)cs2)cc1	408840343	ATAGZBJXDUVDOL-WKULSOCRSA-N	593.450	6.133	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1	408840466	BJYHGEGJWQJVSZ-MUFRIFMGSA-N	546.377	5.586	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	408841436	JBAYJORBNGEDPA-WHQPAHRZSA-N	737.223	9.009	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(NC(=O)c2ccco2)cc1	408845159	PDVIMWKLRIFRNF-HIWRWHBISA-N	701.780	7.908	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408849148	YAIRXBZVEPHGTG-INRUPRTJSA-N	676.793	7.746	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408849498	WETRQOJKVPNURI-BIKKEBSBSA-N	683.444	9.049	50	40	KKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C	408854407	FFVZMBODXDZHRO-GXBUFBABSA-N	508.710	7.588	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1Cc1ccccc1F	408871479	GVAKSKNWMXPMDY-VCHYOVAHSA-N	571.346	5.874	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccnc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408872267	CDUKWQSIKSOPMZ-KALUYTGESA-N	556.187	5.345	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1Cc1ccccc1Cl	408885273	YMGNHRXMRXSHKL-YBFXNURJSA-N	542.804	6.398	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Br	408885522	BIMZJDWROKMXAZ-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	408894660	KCKNAEYZXSCTHQ-WKULSOCRSA-N	560.429	6.205	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1C	408900278	UPKGNWXFZOEEPC-MUFRIFMGSA-N	503.396	6.262	50	40	KKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1	408905378	YBPUMPXTNKJDNO-MWLSYYOVSA-N	502.412	6.954	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCc1ccccc1F	408957779	VWTYYQSXRWDINE-WTIDAYISSA-N	674.726	5.261	50	40	KKGB	
O=C(O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2Br)cc1	408962838	KASJRLRGPCYZOD-VPUKRXIYSA-N	600.185	6.272	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2I)cc1	408965339	KIVYTQHQXPSBAD-KKMKTNMSSA-N	681.224	6.202	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(OCC)c1)c1ccccc1	408981639	WASHIQXZHUVGFX-VNXYKSSOSA-N	539.632	6.145	50	40	KKGB	
Cn1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c2ccccc21	409014780	YMLIJENAIQNQPO-LSFURLLWSA-N	522.140	5.056	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409020931	VXONZMGBVMPFLI-PNQUVVCRSA-N	697.707	6.893	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1	409072654	KEDKSMIMVJKIHN-MHWRWJLKSA-N	521.809	6.269	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccccc1F	409100489	OBBTUUNZLCDTDM-XMMPIXPASA-N	539.357	5.513	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccc(Cl)cc1	409123821	IEZKJXLNWJGPJH-ATZGPIRCSA-N	633.985	6.799	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCc1ccc(Cl)cc1	409138429	BPMXEDYBLYKYTR-FMFFXOCNSA-N	592.117	6.215	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409185507	ZJMDQZYDZAZXCX-CHSHITCJSA-N	677.532	7.309	50	40	KKGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cc(Br)c(O)c(Br)c1	409223336	FHMBIUCZSIBVOZ-PPDIBHTLSA-N	545.206	5.823	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1	409223997	ICEHGEQSLHMINU-YKQZZPSBSA-N	522.517	5.139	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409226240	QCAZQBARHILGKH-CIAFOILYSA-N	548.437	5.946	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCc1ccc(C)cc1	409243424	YNCJDWCADSLCIC-GRSHGNNSSA-N	545.355	6.910	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	409245835	ZRUIYKHAHBKGKS-IPBVOBEMSA-N	553.899	6.274	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1	409258509	UJMRHCDEDUMGGO-WBIBEUCMSA-N	731.616	7.647	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C	409259219	XHJGLPCJZDCJDG-YBFXNURJSA-N	527.930	6.539	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409266305	QKQHPGTZKRJEMT-MUXKCCDJSA-N	569.412	5.154	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409272516	QUQCDABJACLPRV-XDHOZWIPSA-N	520.383	5.329	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)ccc1OCc1ccccc1	409311649	GUVLIIUCLUUVID-DLCNMLRHSA-N	592.479	6.671	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	409324339	SIAZWVZNQRRWMA-WGARJPEWSA-N	571.340	5.395	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1OCc1ccccc1	409371484	KEIQLDKYIZJTMF-FZPRHHONSA-N	661.405	6.676	50	40	KKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409378236	NVUXWMJMDKGYLD-KKMKTNMSSA-N	551.666	6.006	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)cc1	409394672	DKZPTFABQCIBPT-UHFFFAOYSA-N	631.324	7.651	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1ccc(Cl)cc1	409395561	PAWPTDUGYCJUAN-UHFFFAOYSA-N	698.742	7.839	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(F)cccc4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409397138	GSSLPKYNSPKCSN-UHFFFAOYSA-N	595.583	5.900	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)cc1OCC	409398308	SLOVCSOGHQGTDK-UHFFFAOYSA-N	673.507	7.220	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(I)c1OCc1ccccc1	409401118	GKYXIFSOTPJTDG-KMUKQRDJSA-N	675.523	7.222	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCc4ccccc4Cl)ccc4ccccc34)o2)cc1	409407307	ZJBBXHQWQYGIFA-GLJXUZQSSA-N	604.106	8.416	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCc1ccccc1C#N	1529549368	XGJHQRFWAQOQHR-LVOLJPLZSA-N	835.462	5.231	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1	1529549458	ZOEFGNPWCPOIQN-QLGGRFKNSA-N	716.998	5.475	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1808513	UAXKXLHTGRXKPP-FMFFXOCNSA-N	533.701	6.936	50	40	KKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1OC	1821550	KHSSLPWRWRWVNR-XDJHFCHBSA-N	501.995	6.688	50	40	KKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC)Oc1ccc2ccccc2c1Br	2187835	OAGHOLCRUDVHPL-IYAOEYEUSA-N	546.259	6.237	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Oc3ccc(Cl)cc3)NC3=C2C(=O)CCC3)cc(OC)c1OC	2204337	BWJLWEAEASOXPM-DEOSSOPVSA-N	541.025	5.134	50	40	KKGB	
Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCCC(C)C	2208589	XTJJEZBQEQYOFK-MTDXEUNCSA-N	546.092	7.264	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1	2289251	FDIWKLYIRRMGNI-QGOAFFKASA-N	524.440	5.966	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccs3)cs2)sc(C(=O)OCc2ccccc2)c1C	2386876	DJKVPGNKVCERBA-AQTBWJFISA-N	535.672	6.752	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1	2705873	ZCFQRMXFENXGSO-LGJNPRDNSA-N	527.831	5.044	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCCOc1ccccc1OC	4207654	WSMHRMZYYAEFTJ-WPWMEQJKSA-N	528.403	5.470	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(Br)c1OCc1ccccc1	6166408	JHMNSFDVIJHOGU-MRYBEPRJSA-N	609.546	5.644	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1	8400269	ZAVZDTJOXWGDAR-UHFFFAOYSA-N	774.963	7.739	50	40	KKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1nn(Cc2ccc(Cl)cc2)cc1Br	8780804	ABAGRUZBMHKHFE-MZJWZYIUSA-N	509.791	5.904	50	40	KKGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1	12251096	XJTPOEQSAYEGTI-RUZDIDTESA-N	518.038	6.147	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(F)cc1	13943673	OHEJDFKHJACACO-BIZUNTBRSA-N	512.537	5.640	50	40	KKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCN(c5ccccc5)CC4)cc3)c2C)c1	28217188	JAPARMYQKUOTCB-STKMKYKTSA-N	505.666	5.489	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1	97965036	MTJPFLGKNTXTLR-KVSWJAHQSA-N	536.640	7.515	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240034	PLUXVFNVPGPKOT-KCSSXMTESA-N	599.540	6.145	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl	100336420	YAGSHNCOQFMWFY-ODLFYWEKSA-N	558.803	6.386	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)Cc2ccccc2)cc1	100350176	NXPYYEGPJBQFEN-MZFJOGFUSA-N	558.704	5.061	50	40	KKGB	
CCc1cc(Br)ccc1NC(=O)CCCCCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	100395010	YSUAFJDLKNMOOC-VZSWFVLHSA-N	619.192	5.288	50	40	KKGB	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(/C=C(\C#N)c4nc5ccccc5s4)cc3)cc2)C[C@@H](C)O1	100816524	UYHHGHATHSRWIJ-RHVVXLNXSA-N	559.669	5.378	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	100935727	JRNRETGCHYHUEI-RUMWWMSVSA-N	603.722	5.372	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OC	101392515	GFCQBGHRYVWUKB-DEOSSOPVSA-N	533.005	6.318	50	40	KKGB	
C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)COc1ccc(Br)cc1Br	101535016	QXCZARWIZHPAFY-MUFRIFMGSA-N	574.273	5.855	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12)c1cccnc1	112255347	SKECFSGQPRQYNE-QLBXLEAKSA-N	548.602	5.201	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2O)cc(I)c1OCc1ccc(Cl)cc1Cl	112264195	YUNIRWSKGOHFMT-KKMKTNMSSA-N	585.225	6.045	50	40	KKGB	
O=C(CI)Nc1ccc2c(c1)C(=O)OC21c2cc(Br)c(O)c(Br)c2Oc2c1cc(Br)c(O)c2Br	150338835	BJEVMXQIEZQIHC-UHFFFAOYSA-N	830.843	7.089	50	40	KKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cc(Br)c(O)c(Br)c1	150383239	RQBXRWZLSOAALS-HQDYHJHZSA-N	694.221	8.568	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1I	150424993	DNYYZVHLMMIGQW-NTUHNPAUSA-N	629.261	5.652	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795487	SSKMSEHABVYQOF-BGYRXZFFSA-N	870.370	13.281	50	40	KKGB	
S=C(Nc1nnc(S[C@H]2C[C@@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)s1)Nc1ccc(Cl)cc1Cl	169810959	KBDJPLYFZFRYTB-MAAHGYRXSA-N	601.448	6.782	50	40	KKGB	
CCCCCCCCCCCCCCCCCCNC(=O)NCCC[Si](OCC)(OCC)OCC	196525539	IOSZSVPLVNULBK-UHFFFAOYSA-N	516.884	7.986	50	40	KKGB	
COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408541355	CJHBRFHBMBJDKU-GMEAVFFOSA-N	577.681	6.096	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)c(C(=O)OCC)c1C	408547446	WYFNJWCVPIASRR-JJIBRWJFSA-N	567.663	6.861	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552969	MEYIEBQBHKGECD-LICLKQGHSA-N	587.326	7.693	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408638946	DRXAXBJTHKRTAM-VQHPVUNQSA-N	662.118	5.064	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408681327	HSRRTOAEKYHXDV-MSPXFKQSSA-N	601.122	5.329	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408710613	QZQPJLDTIYBTAV-VFLNYLIXSA-N	537.827	6.406	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(I)cc2)ccc2ccccc12)c1ccc(F)cc1	408710841	OMVGDZAVTBHLMI-RWPZCVJISA-N	524.333	5.926	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	408725690	IQCJTGKTEPKXHE-DHRITJCHSA-N	518.205	5.563	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1OC	408728982	WUPFJVAHRGJUIQ-BIZUNTBRSA-N	578.090	5.825	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(I)c2)cc1	408746030	WQKBCHCJKAGCNJ-ODLFYWEKSA-N	568.367	5.543	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408760114	RTBPJJSFEAETOW-OGLMXYFKSA-N	613.446	5.078	50	40	KKGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408773110	SSMYOVPBDZDILP-SULCQMAASA-N	588.584	5.911	50	40	KKGB	
CCOc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(SC)cc2)cc1	408775779	JRWJMNPKEJFNOH-UHFFFAOYSA-N	559.798	6.779	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc(C)cc1	408791256	XTDGRFKJVRWIEP-CPDSRJINSA-N	535.360	6.518	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408793946	HKPJFVXTBZHDAH-UDWIEESQSA-N	569.839	6.412	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(O)cc1	408797506	SEHFDRGQCOXGSG-LICLKQGHSA-N	575.200	5.884	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3c(C)ccc4ccccc34)ccc3ccccc23)cc1	408800265	LHBWQIVPIJNROV-LHLOQNFPSA-N	512.609	7.825	50	40	KKGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408809768	IZKVRBXYEGHFAB-PUINXUHPSA-N	560.673	6.252	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(I)c1OCc1cccc(Cl)c1	408811795	OGZPGLYNWJIVEJ-MFKUBSTISA-N	664.927	8.047	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1	408820744	ZNQPMUVBKCFRHT-CFRMEGHHSA-N	606.314	7.176	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	408832370	SWHOVVDVPNBREU-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	408833349	UJJZTHDBNVPEPM-HPNXWYHWSA-N	636.730	5.731	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OCc1cccc(Cl)c1	408836168	ZPEVMAVCRZISOV-YDZHTSKRSA-N	729.796	8.419	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	408839220	OXWWMGURBMZNAF-AIMOZCANSA-N	768.056	9.619	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1	408839294	QGJFXANHXACXKO-VTNSRFBWSA-N	590.861	6.646	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc(OC)c1OC	408841855	IBKACCXUJASMFZ-MWBNBJEGSA-N	644.105	6.816	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1	408846147	OZSBHQMSCVAKRC-DBSPGSINSA-N	689.981	8.452	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1C#N	408849058	XXUAQLWMJXGOIV-UHBFCERESA-N	514.379	6.138	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)cc2Br)cc1	408849076	YPKJOKBYNCJIAN-XJECJHNESA-N	690.461	9.038	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(Br)cc1OCc1ccccc1Cl	408855033	CQCLSZIKADAVOI-VTNSRFBWSA-N	580.910	7.252	50	40	KKGB	
C=CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I	408857164	MZURSPTUWSTTLM-JJFYIABZSA-N	525.140	5.129	50	40	KKGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	408863075	OWVFDJARBAKOGA-FDAWAROLSA-N	568.482	5.918	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1Cc1cc(C)cc(C)c1	408866447	GTIKIUGIOXDWTQ-ZVHZXABRSA-N	564.467	7.006	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408880184	GKWRBCFNDCETDA-UDWIEESQSA-N	510.999	5.587	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408882165	QEYPKTQJLOMCDN-LICLKQGHSA-N	512.747	6.135	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408883000	SJXAHRPTFROPBR-CAOOACKPSA-N	576.325	6.509	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408884219	XDARIQZNMGJGEE-CIAFOILYSA-N	550.409	6.443	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc(C(F)(F)F)c1	408884432	UKFIEYDERCCTIA-LUOAPIJWSA-N	534.343	5.189	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OS(=O)(=O)c1ccccc1	408886259	JEIIFYWJJVCBOV-FOWTUZBSSA-N	503.363	5.315	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Br)C(=O)Nc1ccc(O)cc1	408889930	LELFVAQVGXTLNR-GZTJUZNOSA-N	528.200	6.042	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	408892649	DGNUDHSEVHNQIS-RQZCQDPDSA-N	506.216	7.733	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1Cl	408894401	HVIJNPZAHJXYFR-VCHYOVAHSA-N	541.785	5.934	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OCC	408904751	ODGMOHJYZHXBMA-FMCGGJTJSA-N	511.214	5.639	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	408925957	VGPOKDQOCYMEQR-KCSSXMTESA-N	533.678	7.424	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	408947732	OCHDWFJWSQGISA-PSXMRANNSA-N	704.252	7.350	50	40	KKGB	
COc1cccc(OCCOc2c(Br)cc(/C=N/NC(=O)c3cccc(Cl)c3)cc2OC)c1	408971893	LOIQCGNEFMQQAN-JFLMPSFJSA-N	533.806	5.341	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408998086	JZUIOBQLEUREDB-IHMSYIQPSA-N	546.454	6.584	50	40	KKGB	
O=C(N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)OCc1ccccc1	409003691	UFUKOVAOTKFCCY-LXEDVXRHSA-N	695.172	5.243	50	40	KKGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	409004588	XQXJDZUXZDTMIX-XJESCPFFSA-N	553.446	5.861	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OC)c1OCc1ccc(Cl)cc1Cl	409019190	ZETFLLAUTRJQQL-BJUCDSOZSA-N	550.442	6.387	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCC#N	409035508	PVPLERASVKTZHW-LQNQUEJISA-N	529.394	5.729	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409055448	YRFGMYOQNZGALP-RPPGKUMJSA-N	532.778	5.671	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409080512	FCCGBBZJEBWNPZ-DEDYPNTBSA-N	581.503	6.475	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1ccc(Br)cc1	409137472	WRNLIQKDUMVRHO-CCVNUDIWSA-N	501.384	5.120	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409139903	CIYHTBBVFODVND-XMMPIXPASA-N	660.363	6.081	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1	409163381	QQWBZTZTSVNQGW-FABQOPTDSA-N	579.097	5.209	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	409199471	CYVJTUANCHZIGN-XODNFHPESA-N	568.320	6.976	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409212343	PBNNCMFZJALCEP-IUXPMGMMSA-N	534.193	7.316	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccc(OC)cc1	409219817	QPZYMVOMPOYVED-UHFFFAOYSA-N	551.599	5.638	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)c2)c1	409222077	AIZGZRXEBATBDD-UHFFFAOYSA-N	679.321	6.484	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(Cl)cc3)cc2)c1	409227192	UBNVEFFJOJBUOW-LJUMEUDFSA-N	556.962	5.792	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409235967	DNYCMTCOASICOJ-GRSHGNNSSA-N	573.312	6.306	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409249729	OFOWETDYWOQRAS-AMVVHIIESA-N	559.519	6.349	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OC	409327308	SBUFRNFJGQJDQO-AQLQTECXSA-N	578.880	6.534	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCc1cccc2ccccc12	409342552	GVSSKIWMXFHYJI-XKZIYDEJSA-N	551.811	7.750	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	409365244	YTULHHCGSIXXNY-FJEPWZHXSA-N	567.281	6.506	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1OCc1ccc(I)cc1	409371208	CXEKJQYQTSFYRK-JCMHNJIXSA-N	539.388	7.201	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCc1ccc(F)cc1	409372006	DEGCDESIWKNTCK-FJEPWZHXSA-N	537.385	6.102	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386042	NMFKSWADMJPXSX-BRJLIKDPSA-N	555.366	5.823	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409387228	VAWYZPMWNNHIRC-ATVHPVEESA-N	524.440	6.041	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCc1ccc(Br)cc1	409387350	VVQOKXHJSASYKA-KKMKTNMSSA-N	619.291	6.686	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397215	HMAOPDMCFYMVJK-UHFFFAOYSA-N	583.600	6.709	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4cccc(F)c4)c(Cl)c3)o2)cc1	409403016	LQNMOVQRGRSGRY-VHFSBPNMSA-N	615.061	6.840	50	40	KKGB	
COc1cc(Br)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Br)cc1Br	409407370	ZNGICSCDZAITEL-UHFFFAOYSA-N	786.315	8.905	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	1529547945	SCMDTGGQAKWOFB-MKEMXLLOSA-N	689.991	5.706	50	40	KKGB	
ClCCN(CCCl)c1ccc(/C=N/c2ccc(-c3csc(-c4ccccc4)n3)c(Cl)c2)cc1	1699705	NXMKKVRDOIAUDK-OCSSWDANSA-N	514.909	8.165	50	40	KKGB	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)c(OCC)c1)C(C#N)=C(N)O2	1819674	MPEMNENBOFJBQI-MUUNZHRXSA-N	541.051	6.674	50	40	KKGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc(Br)s1	1822235	NAMYZFQCODTHKL-WYMPLXKRSA-N	538.924	6.170	50	40	KKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	1895213	LLXYTVQFALKQJK-LFIBNONCSA-N	571.869	8.358	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc(Cl)c(Cl)c1)=C(C#N)[C@@H]2c1ccc(Cl)cc1	2312460	MOMMGVHYUZYVRN-QHCPKHFHSA-N	546.907	7.084	50	40	KKGB	
Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)c1	2356770	MGMBGBIFXWSVSY-RKZIHRPTSA-N	508.430	6.367	50	40	KKGB	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccccc2)cc1	3299189	HZEHHAPMRJBJOC-JXAWBTAJSA-N	526.412	5.194	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3cccs3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2	3664911	ZUXHTSCTXMCWRV-OAQYLSRUSA-N	507.681	5.806	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	8439522	QAGYHZFLLYIEBR-VWLOTQADSA-N	519.026	5.948	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc([N+](=O)[O-])cc1	8817524	SXAJWTZGBQAESM-WGOQTCKBSA-N	513.023	5.644	50	40	KKGB	
CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc(Br)c1O	9693503	HCSISWXPHKRAQR-KRWDZBQOSA-N	500.418	5.081	50	40	KKGB	
CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)NCc3ccccc3)=C(C#N)[C@H]2c2ccco2)cc1	12250170	OAQAESOCQSJDCP-MHZLTWQESA-N	512.635	5.226	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1F	14159609	ZQVNSDTYNNMMMG-DFKUXCBWSA-N	515.610	5.371	50	40	KKGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccccc1	20047790	FVMVJGGOYALMAN-QUPMIFSKSA-N	507.656	5.059	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccc(C)cc4)c3C)cc2)CC1	28217232	GBBSAEPRACYZIA-PPOKSSTKSA-N	535.692	5.497	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c1	59198846	HBAIOHXDFBPKIB-XQNSMLJCSA-N	511.419	7.344	50	40	KKGB	
COC(C)(C)c1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(P(c2ccccc2)c2ccccc2)cccc1C(C)(C)OC	96171880	JDDFLUOBDZWHDU-UHFFFAOYSA-N	666.782	8.633	50	40	KKGB	
COc1cc(/C=N\NC(=O)C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccccc1	97944537	OOYDZRXDPZZURX-YNXSKVROSA-N	724.406	5.987	50	40	KKGB	
COc1ccc(/C=N\NC(=O)c2ccc(Br)o2)cc1CSc1nc(C(F)F)cc(C)c1C#N	97965683	NXAXCYSXFWMPNV-NCAUGAEKSA-N	535.370	5.620	50	40	KKGB	
CC1(C)[C@]2(C(=O)Nc3cccc(Cl)c3)CC[C@@]1(C(Br)Br)[C@H]2Br	98046306	VSGWWOPDSKISBH-XFBWCDHKSA-N	514.483	5.964	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)c1	100129073	JVMZRKQUBTZYJD-CAQPMQTCSA-N	607.574	5.815	50	40	KKGB	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4[nH]3)c2)C[C@H](C)O1	100900632	CJNBMBXOVCPPPN-LMIOKVNWSA-N	564.671	5.278	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc2c1CC[C@H](C(C)(C)C)C2	101087390	AUJHMJDFNSLZOC-KJCUYJGMSA-N	535.691	6.905	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(OC)c(Cl)cc3OC)NC(C)=C2C(=O)Nc2ccccc2)cc1	102463210	GJGHHQBAUJUQOG-PMERELPUSA-N	619.143	6.462	50	40	KKGB	
COc1ccc(Nc2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	102618105	SVMFNSZWFAVBNI-UHFFFAOYSA-N	527.584	6.713	50	40	KKGB	
COc1ccc2cc(/C(C)=N/NC(=O)c3cccc(N/N=C(\C)c4ccc5cc(OC)ccc5c4)c3)ccc2c1	102978636	RKQAVWBRPUQXTM-TWOPAUOSSA-N	530.628	7.000	50	40	KKGB	
N#C[C@H](/C(=N/NC(=O)c1ccccc1O)C(=O)[C@@H](C#N)c1ccc(Br)cc1)c1ccc(Br)cc1	104285961	JRHDLKYYKPTMNO-BRBOLSPYSA-N	580.236	5.187	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccc(Br)cc1	104953576	WPFWMCCIMRLJQI-LICLKQGHSA-N	532.221	6.889	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C(=O)OCC)c1C	109427177	PGKVXSGAINCMEE-XDHOZWIPSA-N	539.694	6.429	50	40	KKGB	
CC[C@H](C(C)C)[C@H](Br)[C@H](Br)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	118933440	WPYNWAGYMPPHHC-UROUBKOOSA-N	614.547	9.342	50	40	KKGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1cc(I)cc(I)c1O	150405523	GJRVAXVWOJOJQS-KKMKTNMSSA-N	760.193	5.854	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCc1ccc(Br)cc1	164577759	IRODYSMUWZJYGY-RPPGKUMJSA-N	644.101	6.168	50	40	KKGB	
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC	299872153	KASDHRXLYQOAKZ-WIFULJMVSA-N	810.466	5.719	50	40	KKGB	in-vitro
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)ccc1OCc1ccccc1	408537755	HGJGIEKDIRKGLY-FSJBWODESA-N	627.446	8.724	50	40	KKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c(OCc2ccc(Cl)cc2Cl)c1	408542670	KUGPBGWUMVNOGC-LPYMAVHISA-N	519.476	7.976	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408543614	PIILSZUTOMWINM-XYGWBWBKSA-N	544.051	6.408	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1ccc2ccccc2c1	408548322	GHZWXUWAQBJWSW-FMCGGJTJSA-N	505.330	7.227	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1	408567376	DIGGHNMZSLFFCS-CVKSISIWSA-N	509.609	5.182	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCc1ccc2ccccc2c1	408570005	RKOGGHLUCXLCRP-DPNNOFEESA-N	637.621	7.588	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	408601602	BNJXBKHTKZSQJI-FQEVSTJZSA-N	542.463	6.030	50	40	KKGB	
O=C(NNc1cc(Br)ccc1OCc1ccccc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408606436	LZWIIJOQYMFHNF-INIZCTEOSA-N	549.252	5.831	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408642235	MEWDMWAPLSZDLG-HXUWFJFHSA-N	578.767	5.575	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O	408642353	MWXGGOKURXBSOR-LJNUKXPWSA-N	575.851	5.423	50	40	KKGB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408644829	TVMGZTLZBCWRKZ-ATUYUNQRSA-N	683.191	5.142	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1ccc(N2CCCC2)cc1	408678512	ZUFTWPWMIHAIPQ-WKULSOCRSA-N	594.280	6.541	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408726066	OLQTZMQRSJPISA-XKZIYDEJSA-N	505.412	6.453	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	408739754	FJQUCWICYLZHGJ-GOJREDGKSA-N	522.608	6.889	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2-c2ccccc2)cc1	408744048	WBKXGWFZTFNNDP-JFXHSDHMSA-N	591.711	7.596	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)ccc1I	408746926	HVYIDYZMOOAERU-KKMKTNMSSA-N	721.127	6.018	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408750319	ZYYZVTGVAJFPFR-RDRPBHBLSA-N	582.476	5.479	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc2ccccc12	408759021	WOZQXGCGIYBBES-MHDJOFBISA-N	618.393	6.744	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1cccc(C)c1	408759477	FTAQFQGOTJKYQO-JAIQZWGSSA-N	617.281	6.886	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)cc1	408790757	YIMBBEXQHIQKLB-HYARGMPZSA-N	519.395	6.059	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1ccccc1Cl	408791722	BMIVPOXCGPZRLH-GZTJUZNOSA-N	593.646	6.832	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(Cl)cc1Cl	408793916	GQABSDPGDHCFQM-KEBDBYFISA-N	574.302	7.896	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408796399	NYZFYAPKWUWRMY-CXUHLZMHSA-N	628.091	7.485	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCc1ccc(Cl)cc1	408797564	RXNNAUZYQLEUIW-VXLYETTFSA-N	560.275	7.588	50	40	KKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1	408805967	DENMSTSTGZRPJQ-RKRFWIBRSA-N	676.336	7.230	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408837794	NSJRTOBQGUWPLP-ZXTCRCEHSA-N	767.757	6.978	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl	408841620	FSPQTYMIBFPCAF-XJECJHNESA-N	721.973	7.860	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(I)cc1)c1cc2cc(Br)ccc2o1	408847424	MNLBKAIFSUCUSX-PPDIBHTLSA-N	654.096	6.905	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408849353	ZTQRKNYFBMMKFX-KPGMTVGESA-N	700.181	7.210	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408853678	WNTMZQOGTDCYPP-KWQVAVEISA-N	677.426	9.264	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2ccc(Cl)cc2Cl)c1	408878140	WWCSUDNSRVNVAE-RQZCQDPDSA-N	521.322	7.145	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(I)c1OCc1ccccc1Cl	408887633	PZCMBJVTXIJZEE-RQZCQDPDSA-N	670.672	6.682	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc(Cl)cc1Cl	408900093	SQIZFWMGYSSUTA-VCHYOVAHSA-N	542.375	6.434	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccccc1C#N	408904257	HDCVMBBJRYKPMZ-NUJZUDFISA-N	633.284	6.367	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OCC)c1OCc1ccccc1C#N	408914828	ZDQPATHFQVCBDX-GOJREDGKSA-N	545.639	5.651	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1C	408924735	NZWZVQQLGYVJPF-YBFXNURJSA-N	515.824	7.479	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c1OCc1ccc(Br)cc1	408927183	ZVXMUWIOUCLFJR-LDADJPATSA-N	589.227	6.187	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2cccc(Cl)c2)c2ccccc12	408939819	BNUNRKAWUSABKS-WJOKGBTCSA-N	630.170	5.536	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3cccc(Cl)c3)c(OC)c2)c(OC)c1	408947555	BBVYXQBBQAGOAW-OEISHWKDSA-N	762.985	5.261	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408947556	NXHXFTBBFRDLJI-WJOKGBTCSA-N	664.615	6.190	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCc1cccc(Cl)c1	408947831	OHHWIRHKWUWVSF-MUUNZHRXSA-N	749.027	5.417	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1	408952078	VHKPYZSRFCOYJH-GDLZYMKVSA-N	706.048	6.510	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C#N	408964561	VHABDRMKMCSZKR-FCMSKLJNSA-N	645.543	6.098	50	40	KKGB	
COc1cc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OCc4ccccc4)c(OC)c2)C=3C#N)ccc1OCc1ccccc1	408974543	BFZVMPFOJIHVJL-VWQVDNQHSA-N	654.748	5.036	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3c(C)cc(C)cc3C)cc2)c2ccccc2)cc1	408977871	GASANCKBWZEBQW-QVCSVUSBSA-N	569.727	6.059	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl	408981920	DSWICYFTAYGJMS-MTJSOVHGSA-N	511.836	7.808	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1cccc2ccccc12	408982855	ZNHFERHUKYYBOM-OFWBMQHPSA-N	621.759	6.686	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccccc3Cl)cc2)c1C	408984509	ROVPYEBGLVFRAS-JLPGSUDCSA-N	530.455	7.834	50	40	KKGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1	408992624	AQFBPAKCJSRTGP-ZMOGYAJESA-N	547.374	5.021	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409047892	PXWZGXNLETUVGV-FYJGNVAPSA-N	503.986	5.919	50	40	KKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409066429	ARAUHTBFAXVNPQ-LFIBNONCSA-N	551.340	5.781	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409073543	VUNUOSOAELSXFY-HYARGMPZSA-N	517.969	6.500	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1OC	409185707	OWYBHTRMTXPHFK-FDAWAROLSA-N	581.094	5.110	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409258994	WJXBAVGTDCWDHD-WKIKZPBSSA-N	575.803	5.191	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1	409261375	AYUFFDYHAFKTRY-OQLLNIDSSA-N	605.670	6.134	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409266550	ZWAVSCVVDNBVKR-WOJGMQOQSA-N	603.800	6.333	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1	409272951	UPTOPDPYZDJVGX-JAIQZWGSSA-N	552.414	5.960	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)ccc1OCc1ccccc1	409317087	OONLRERCTQNZGI-YKQZZPSBSA-N	511.534	5.525	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)ccc1OC	409317223	SSCDUWPJFRYETO-MUXKCCDJSA-N	594.833	5.703	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409322004	VOPBLNNHGVSLQA-OALUTQOASA-N	603.311	5.809	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1OC	409325027	WROFLZSSRMARNK-NTFVMDSBSA-N	525.399	5.374	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1	409359269	AZXXJPDCJWFGLW-VFLNYLIXSA-N	598.268	6.138	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccccc1F	409372381	XABYZZVQTXEWJG-SXGWCWSVSA-N	615.611	7.331	50	40	KKGB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Cl)cc1	409373499	WSXDKBKVIUTGHT-ZMFRSBBQSA-N	555.281	5.097	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl	409378892	TVOOBSVSLFRTCC-DHDCSXOGSA-N	518.759	6.349	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3F)c(OCC)c2)ccc1OCc1ccccc1	409380374	LVDMWIIGHGSFQQ-WBIBEUCMSA-N	620.077	6.637	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)cc(OC)c1OC	409395448	NRCDGYDZJDYNRY-UHFFFAOYSA-N	707.375	7.369	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397141	GTTAMKGWCLQUQV-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409398907	WICLMCNPPRAYEC-UHFFFAOYSA-N	658.505	6.615	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409399299	ZDTQZKNCKKJNJA-UHFFFAOYSA-N	583.431	7.005	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OC(C)(C)C)o2)cc1	409403465	NBHKSGIHUALESM-LQNQUEJISA-N	530.581	6.116	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	12957469	REKSNJVIGNWDHS-VVEOGCPPSA-N	534.226	7.903	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1	16712484	MUASHSNWVDPHAB-MUFRIFMGSA-N	505.047	5.523	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1cccc(C#N)c1	20760961	OCNHQIMLJUPEEI-CCVNUDIWSA-N	512.791	5.716	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4C)c3C)cc2)CC1	28217226	SAVGNRIYRUMNFH-PPOKSSTKSA-N	535.692	5.497	50	40	KKGB	
N#CC1=C(N)OC2=C([C@H]1c1cc(Br)ccc1F)S(=O)(=O)N(Cc1ccccc1)c1ccccc12	33355741	LBGMWNPMFFIIHX-QFIPXVFZSA-N	538.398	5.115	50	40	KKGB	
C/C(=N\NC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(NC(=O)c2ccc(Cl)s2)c1	97965765	ZSDQMKABUCVAFN-LUOAPIJWSA-N	522.866	7.329	50	40	KKGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3C)NC(C)=C2C(=O)Nc2ccccc2)cc1	98000316	KWKRCHBERKSLDZ-PMERELPUSA-N	552.700	6.409	50	40	KKGB	
O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br	98001731	IYSKOUKENJLLQG-VPUKRXIYSA-N	717.006	5.836	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCc1ccccc1Cl	100062255	KGIKIJAMNOTSJT-LGJNPRDNSA-N	534.781	5.605	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1Br	100118895	QLROKTWSKZQILP-AMEZEBJKSA-N	587.543	6.395	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cc(Cl)ccc1Cl	100128219	VUZLXBHVDMYDQS-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Oc1ccc([N+](=O)[O-])cc1)[C@@H]2c1ccc(F)cc1	100141887	SJFUZROURXWTMG-MUUNZHRXSA-N	515.541	5.956	50	40	KKGB	
COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2cc3ccccc3cc2O)c1	100326369	WEJYRHCXLUXBKZ-AMVVHIIESA-N	525.439	6.037	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1ccc(Br)cc1	100372158	ZNLARMFGBGHLMD-LGJNPRDNSA-N	542.480	5.889	50	40	KKGB	
CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Br)/C(=C/c2ccccc2Br)C1	101646404	QNVVTVBFHJPOJL-UPMCQBDUSA-N	527.260	5.692	50	40	KKGB	
COC(=O)c1nc(-c2ccc(C)cc2)oc1NNC(=O)c1nc(-c2ccccc2)oc1Sc1ccc(C)cc1	102436060	QHPUFCDRDVAGNR-UHFFFAOYSA-N	540.601	6.308	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1	106184985	DPXJVIVMSVNIBN-GATIEOLUSA-N	567.621	6.116	50	40	KKGB	
Nc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	150405658	VUWAQMHLXMEOQZ-KBKYJPHKSA-N	631.639	5.474	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	164633843	SKLGUKPMAWDREY-KBKYJPHKSA-N	681.193	6.181	50	40	KKGB	
FC(F)(F)C[C@@H](I)CCCC[C@H](I)CC(F)(F)F	169795302	UEFLQIKAHGLYOH-YUMQZZPRSA-N	502.018	6.059	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC	408539697	YBQPZYKFDBMLCQ-JCMHNJIXSA-N	513.476	7.360	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408570400	UMPJSXMLXVYZMO-WKULSOCRSA-N	522.095	6.351	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1Cl	408611841	WYQLEKVAGRAVKX-KKMKTNMSSA-N	535.225	5.732	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408638964	DTUFYPVEADVNRU-VPBXCIAMSA-N	702.783	5.721	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c1	408745021	JDFLMNNRKDLBKL-ZDLGFXPLSA-N	590.699	7.388	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I	408745165	KPMAXJDDXNKHNG-JYRVWZFOSA-N	543.586	5.818	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)ccc1I	408748174	ZMHGHCFPPKRTMU-LUOAPIJWSA-N	772.546	6.505	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1cccc2ccccc12	408749376	NUSYJKRYCNBBED-KCSSXMTESA-N	539.429	7.107	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408750287	ZGYPEYKLIJPRHE-LGJNPRDNSA-N	657.293	5.059	50	40	KKGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408758776	RAKOYOAWFKEILN-ALQBTCKLSA-N	706.643	6.759	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408763469	FPBHRFNBLNNQHM-LICLKQGHSA-N	602.419	5.078	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(C(C)(C)C)c1O	408767524	YDPYGSKZFZLBPQ-ZCTHSVRISA-N	581.691	5.746	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408790371	PMEVENXTANAVKG-XDHOZWIPSA-N	522.355	5.881	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408793002	CPJJEBNOYUTWBT-LHHJGKSTSA-N	561.079	8.732	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(F)cc1	408795390	VGKQJLSLCRMLAD-RGVLZGJSSA-N	509.375	6.338	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl	408795676	VVTGFUNNSBQKRN-PCLIKHOPSA-N	617.927	8.205	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc(Br)c1OCc1ccc(C)cc1	408828097	ITDZATBVNYNRED-FNTLCPBMSA-N	640.622	7.564	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408846386	KEEAFKSXIAAIAI-KLPHOBTLSA-N	584.460	6.340	50	40	KKGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1I	408847728	UGIKQTQTGRZHGK-MUFRIFMGSA-N	592.462	6.243	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(C)c1OCc1ccc(Cl)cc1Cl	408848047	XVDQKJBVVSSTGS-ZMOGYAJESA-N	501.413	7.888	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1F	408851526	CJHRJTGEZIGDDE-QJOVZPHJSA-N	612.499	7.706	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1)S(=O)(=O)c1ccc(C)cc1	408864154	WYBRBBXCNAGRPP-PPOKSSTKSA-N	605.116	5.645	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCc1cccc2ccccc12	408866529	GRULBAYVCPSLSW-VHAPIWCVSA-N	582.482	6.699	50	40	KKGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)cc1	408866997	JKQIDAQLRFCMDL-RGXNXFOYSA-N	623.573	5.249	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	408877604	WBBDLSZDFRWILB-VNNSTJBXSA-N	556.087	6.457	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1-n1cccc1	408882769	SDNGUCVIXUZYJH-WKULSOCRSA-N	587.699	6.999	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1cccc2ccccc12	408886002	CNLFXRAHSWMCCJ-RCCKNPSSSA-N	507.502	5.830	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408887052	LOYWGIDWQCFCHL-WYMPLXKRSA-N	574.300	5.129	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cccc(Cl)c1	408891602	TWUDETXYWNVKSA-KBKYJPHKSA-N	651.069	6.546	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408896614	SKEZNSZRIXZQST-RVDMUPIBSA-N	548.360	5.224	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1	408899205	OAQYBKZTLAKNOZ-XDHOZWIPSA-N	552.381	5.889	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)ccc1Br	408903842	ADJVNHGBBMFJHY-RAWMCFOBSA-N	735.114	6.610	50	40	KKGB	
O=C(O)c1ccc(COc2ccc3ccccc3c2/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1	408946055	ORZYBOPEDKZBPG-MNDYBZJGSA-N	543.373	6.390	50	40	KKGB	
O=C(O)c1cccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)c1	408946083	OUWVWRKAWSPZIO-PPDIBHTLSA-N	572.209	5.999	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl	408973130	ZAZNXULONJJZRX-LYALLXROSA-N	709.498	8.455	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1	408998680	RVAXASQSOIBFQQ-VTNSRFBWSA-N	635.312	6.755	50	40	KKGB	
Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1sc2c(c1C#N)CCCC2	409036414	LEHLLPKUIIGSQU-FZKWRIDDSA-N	529.669	6.885	50	40	KKGB	
CCOC(=O)c1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409040211	SPBLXFFXCNOBDU-FNTLCPBMSA-N	579.656	7.575	50	40	KKGB	
N#Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Br)cc1	409040893	YZBLPSABSUFXRG-MWBNBJEGSA-N	640.335	7.641	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079764	LHVQEJCXGPTJDH-LDADJPATSA-N	541.457	6.828	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1)S(C)(=O)=O	409120127	RUGZRURGHXRYGS-AJBULDERSA-N	527.646	5.304	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	409160840	JNHBUNHUSRBGEO-KKMKTNMSSA-N	571.096	6.790	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F	409172629	DUFCKNCGWRBIFS-DPWJMMOYSA-N	625.829	5.844	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12)c1cccc2ccccc12	409178177	KXDLFYUVYMDFRC-JIOLUUPVSA-N	565.604	5.946	50	40	KKGB	
Cc1cccc(NC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c1C	409188096	AEWFXJAKDPPRMY-ZMFRSBBQSA-N	531.248	6.563	50	40	KKGB	
C=CCOc1c(I)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1I	409209601	CTFPTGQBCQTRTH-LSHDLFTRSA-N	612.658	5.356	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)/C=C/c1ccccc1	409222144	BQBLYAWNLNNPNB-IKLZXXTGSA-N	602.474	7.027	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1	409248608	HJQSFYYLUQWENV-IWEBCOIVSA-N	530.249	7.119	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C	409257670	RSPQQZJDXRFTOS-AEUUOICLSA-N	626.138	7.306	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1	409258227	XBOGUVKSCCEABG-NDENLUEZSA-N	564.436	5.646	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409263044	KANYXMUOKLNFCF-ZKIGUAJRSA-N	540.447	5.783	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409263492	LIGSOJDGKIFLOS-CIAFOILYSA-N	550.409	6.455	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	409270157	CPKYQNRFBYYCTL-AEUUOICLSA-N	670.589	7.415	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc3ccccc23)cc1OCC	409312851	NXBZVCYEIYOPCS-MZFJOGFUSA-N	561.476	7.133	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1OCC	409313543	CHSBIDDPQROEOW-RHANQZHGSA-N	541.442	5.988	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1OCC	409315128	NKCMKGPCOGTONK-RHANQZHGSA-N	554.441	5.418	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC	409325030	WBEPQLPTMJQUQM-RHANQZHGSA-N	539.426	5.764	50	40	KKGB	
C=C(Nc1ccccc1N)/C(C#N)=C/c1cc(I)cc(I)c1OCc1ccccc1	409336053	RGQPKQXYXDJHTN-YBFXNURJSA-N	619.244	6.590	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	409371791	OLDHLMAMMGRDKD-IUXPMGMMSA-N	551.167	7.149	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccccc2F)c(Br)c1	409373135	MNDYHTSULHHDAL-WKULSOCRSA-N	507.359	6.093	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccc(Cl)cc1	409374063	JVCDMLDOFWWVDO-ZDLGFXPLSA-N	508.803	6.939	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc(C(=O)O)cc4)c(Br)c3)[nH]c2c1	409374636	VMZQKZDVLJNRBX-NVMNQCDNSA-N	567.237	6.738	50	40	KKGB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2OC)cc1	409381298	FWNDGTSIRJVFTI-GZTJUZNOSA-N	526.376	5.574	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409389400	YODIMDQIMFMJHI-VFLNYLIXSA-N	598.268	6.138	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccc(Cl)cc1Cl	409395262	LRZJSMXGRXCNDW-UHFFFAOYSA-N	736.247	9.803	50	40	KKGB	
Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)cc1	409395285	LXWSQXHSVCPWEE-UHFFFAOYSA-N	681.384	8.805	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)cc(OC)c1OC	409396232	XFFHXTOSYTWMND-UHFFFAOYSA-N	776.265	8.676	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl	409396548	WHSMADHVBRGUKQ-UHFFFAOYSA-N	563.013	6.742	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397780	NZINPYYLWPFSAR-UHFFFAOYSA-N	742.795	8.237	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409398185	RQBKMNFEXMXDAR-UHFFFAOYSA-N	596.039	6.907	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1F	409401673	IAHYNTPEWLQULK-VHFSBPNMSA-N	655.639	6.103	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OCC(=O)OC(C)C)cc4)c3C)o2)cc1	409402797	LARHZBDXCIDHCR-CLHYIUPASA-N	622.722	6.768	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1	1529546741	HBZKDWQQSVVBOO-XINRNAFCSA-N	689.991	5.706	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(OC)c1	1529547244	JWNWMLZNAVUJHW-NJLXJUSUSA-N	764.642	5.917	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(C#N)cc1	1529548698	MAEPCWVXFKOERH-LVOLJPLZSA-N	741.462	5.547	50	40	KKGB	
Cc1oc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1Br	853156	LLOOZPMLMIAJOA-OPEKNORGSA-N	559.269	5.387	50	40	KKGB	
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cc(Br)c(O)c(Br)c2)C(C#N)=C(N)O3)c(C)c1	985890	RZMPJPCNKYZYGC-INIZCTEOSA-N	516.193	5.142	50	40	KKGB	
N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1	1889046	XFAUZDZIFRJDTQ-GHIWRQRASA-N	516.381	5.468	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)nnc2-c2ccc(Cl)cc2)cc1	2594012	XZFACTYKMHYZOW-KBVAKVRCSA-N	558.063	6.088	50	40	KKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	2670842	GAXJICASCQRUAI-RIYZIHGNSA-N	559.818	7.408	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	6089272	MTKAAAUEKRVCOB-HSZRJFAPSA-N	521.042	5.293	50	40	KKGB	
O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)[C@@H](Br)Cc1ccc(Br)cc1	12273691	LXLACBGPGQFELG-KRWDZBQOSA-N	514.670	6.095	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1OCc1ccccc1	17185938	BUYIZIAWOFCTLV-MTDXEUNCSA-N	506.671	8.510	50	40	KKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)cc3C)c2C)c1	20243647	UIIIUYWXVPDAFY-XODNFHPESA-N	512.517	6.474	50	40	KKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1Cl)c1ccccc1Cl	59199481	RSPMVOQZGLLYGF-UHFFFAOYSA-N	525.482	8.297	50	40	KKGB	
CSSC(C)(C)CCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1	95576184	WKBZTEPNMBNGJH-HSZRJFAPSA-N	726.324	9.252	50	40	KKGB	
COc1ccc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N	97944462	AJAQKWMFKZGIDZ-GUURFMGBSA-N	562.686	7.052	50	40	KKGB	
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)N1	98048642	XBVCRNWKSCEDDL-RUZDIDTESA-N	632.020	6.875	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(C)cc2)cc1OC	100304008	FAFRRLKKUWESIY-ATZGPIRCSA-N	629.566	6.072	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1	100852827	NDKZBPHKAABEOI-IPPBACCNSA-N	531.852	5.978	50	40	KKGB	
N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	100988444	CQBJGBBFDILHSD-VYUMYAIBSA-N	563.293	7.365	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1	101720455	SFOFCYALSLXKQK-OOAXWGSJSA-N	554.606	7.664	50	40	KKGB	
COc1ccc(C(=O)[C@@H](CC[C@@H](CN(CCCl)CCCl)C(=O)c2ccc(OC)cc2)CN(CCCl)CCCl)cc1	102604658	ZEJMIHLNRJQZJS-UIOOFZCWSA-N	634.472	6.341	50	40	KKGB	
CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527819	JQCNFFGMQPDXOZ-BYPYZUCNSA-N	502.052	6.329	50	40	KKGB	
CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527922	ARAOPWJLFXAZTH-LURJTMIESA-N	580.113	7.744	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)COc4ccc(C(C)(C)C)cc4)cc3[N+](=O)[O-])sc2c1	103745989	JCYOUSDMGPHLIJ-MUFRIFMGSA-N	564.689	6.581	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	103889890	ABCQCMBDFYCVJD-SXGWCWSVSA-N	577.218	6.797	50	40	KKGB	
ClCCN(CCCl)c1ccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3Cl)CCCN2Cc2ccc(N(CCCl)CCCl)cc2Cl)cc1	150373352	UWOGYIYNVZYANK-UHFFFAOYSA-N	831.415	10.252	50	40	KKGB	
Cc1cc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc(C)c1Br	150477753	RCDGOKSQBYLTEC-PAANBGOBSA-N	653.209	5.394	50	40	KKGB	
C/C(=N/NC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccc(Br)cc1	150500024	CUWUBFYRXSXJQZ-HCRVAORSSA-N	662.372	6.566	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(Br)cc2)cc1	162393805	AMXDQMVVKSENFG-DPNNOFEESA-N	669.985	5.774	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)ccc1I	208252605	QKVGRKAYMGDSKP-UWLYNBDASA-N	525.818	5.439	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1	209488119	XEGDKOBRJGEUOI-CIAFOILYSA-N	527.256	7.562	50	40	KKGB	
CCOc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2)ccc1OCc1ccccc1	408539955	KWNYZSKMMAKURE-TURZUDJPSA-N	518.613	7.097	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1	408543232	NYVRRMWDHNUNFZ-IUXPMGMMSA-N	695.207	5.627	50	40	KKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1	408554106	ZFWROTRHKYNNDL-FXMZOFOKSA-N	614.121	6.608	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	408599321	SOZOKGVIRVDNKX-GRSHGNNSSA-N	547.674	7.907	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1OCc1ccc(Cl)c(Cl)c1	408606382	LSJZXVIJZNCGPS-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1OCc1ccc(Cl)c(Cl)c1	408610884	OVNIWJYHLVQGJV-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1	408637695	NBUPFXFZIAHOOC-DFHRPNOPSA-N	545.994	6.548	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1	408642841	OAPQXSWYTQIRGZ-YRXWBPOGSA-N	617.121	5.156	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408726109	PVMSFGOBKLDNFX-MFOYZWKCSA-N	609.247	6.740	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408726584	MXSQFKIICVBCKY-JFLMPSFJSA-N	552.505	5.460	50	40	KKGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	408741170	OGCWZFDQBBBKLK-RUMWWMSVSA-N	532.625	6.962	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)ccc1I	408747574	PTDBQZFNXSCUCN-YPXUMCKCSA-N	782.110	5.581	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCc1ccccc1	408750302	ZRAKFDWOFDFASK-MZJWZYIUSA-N	562.258	5.962	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)c1	408752599	FEECUCGCXYNQRT-CPNJWEJPSA-N	541.423	5.470	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	408761255	CXCFGAQPSAIRES-LDADJPATSA-N	557.422	5.088	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408763133	RIWSUCGOOJQXMS-RIYZIHGNSA-N	627.256	5.986	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Br)cc3)c2C)ccc1I	408782088	HDDQQFWNPGDTBY-BRJLIKDPSA-N	566.237	5.299	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(I)cc1	408798271	VOBGWMBFUJINDI-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c1	408811098	NLAYBTQXYAJINN-HYARGMPZSA-N	501.413	7.888	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(C(=O)O)cc1	408817136	MUFVWPDBNUYNFA-ODLFYWEKSA-N	539.357	5.810	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccccc1Cl	408817402	TXCGALBAILHEOI-CPNJWEJPSA-N	507.804	7.925	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408818354	NWTNGLGLGLQWCQ-YVLHZVERSA-N	564.238	7.418	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408823938	FXWTUGWZDVNVDI-JVWAILMASA-N	553.058	7.669	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1[N+](=O)[O-]	408846011	ICQNNMMTLKZZPN-UCMJSZAQSA-N	531.616	6.841	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408848913	XETWYAFFMCHWTL-ZSNJKBEMSA-N	626.134	7.426	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408851517	CIQZDEPNBVZVSU-GIJQJNRQSA-N	537.668	8.451	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408866083	FOQCPFQFSVCHKC-QXUDOOCXSA-N	622.143	5.980	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408879963	GHQCDHDEHKJHDZ-CXUHLZMHSA-N	577.218	6.797	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(Cl)cc2)cc1	408882099	PREDQAXKLLFJFM-FDAWAROLSA-N	593.061	5.481	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2c(C)ccc3ccccc23)c(OC)c1	408884479	YDDLIRLTSAPIJS-BUVRLJJBSA-N	555.472	7.606	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)c1C	408907777	RLFPNCAJXKQHOQ-UZWMFBFFSA-N	521.642	5.955	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1	408921603	BHGXMUMLBFIPQF-RQZCQDPDSA-N	617.250	6.262	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12	408970567	BNXUCIIAKCEDCP-WKULSOCRSA-N	542.444	5.193	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408971738	KNAZLGDGXGPEED-IAJWJZDXSA-N	635.386	6.580	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCc3cccc(F)c3)cc2)c2ccccc2)cc1	408978037	GTPFKRXYVGPLSN-FUGGPRTCSA-N	545.636	5.273	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(I)c2)cc1Cl	408981669	CGVXVNMWPVRYSM-ZDLGFXPLSA-N	546.767	6.517	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc2ccccc2c1	408982084	FNSQZVKRZRDTFP-YDZHTSKRSA-N	608.863	7.540	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(F)cc3)cc2I)cc1	408994092	FQJJSQBDCNGCPJ-KBKYJPHKSA-N	644.178	5.076	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1	409005674	JJLYHVUNKXFMPT-FLRBEDLWSA-N	658.538	7.580	50	40	KKGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc21	409018217	TUFIYBDVDUYRNG-RGNZGAGFSA-N	637.564	5.856	50	40	KKGB	
Cc1cccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1C	409020757	SVYIPJWMWLCTMD-BRJLIKDPSA-N	562.205	5.971	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cccc(C)c2C)cc1	409024190	BBRBHCQAYGUAMV-HNSNBQBZSA-N	556.732	5.982	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409024273	IZZCHBHZYYIWJM-FMFFXOCNSA-N	595.508	5.981	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)c1cc2cc(Cl)ccc2o1	409024853	YAROYNMFASPWAG-PPDIBHTLSA-N	501.739	6.331	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccccc1F	409034332	QGXKIKNKYQAQLK-KMUKQRDJSA-N	598.472	7.545	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409036950	CBDHSUUBYYPNEN-MWBNBJEGSA-N	551.433	7.423	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12	409037689	YHTNWEILUHDITQ-DPNNOFEESA-N	570.874	7.661	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1	409085504	ZOXVGIHQGRAHPW-OVCLIPMQSA-N	646.204	6.153	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1C=NNC(=O)c1ccc2c(c1)COC2	409145711	JBSNLFDGDPCONP-RSSXBKQQSA-N	615.234	5.533	50	40	KKGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1	409185079	RPHFRRRVNNTFKR-MXAYSNPKSA-N	517.221	6.255	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1	409225962	RSBWAMDDUJRORM-UHFFFAOYSA-N	556.416	5.993	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1ccccc1	409240050	JGFXILSAENCGRV-OJSPLJLUSA-N	506.356	5.721	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	409243057	VAIYBSFOVQBZJP-HAHDFKILSA-N	509.433	6.627	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409256241	KKNMZZBNHIQUCR-XDHOZWIPSA-N	550.409	5.425	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409264839	GGECRCMJKZEFST-WKIKZPBSSA-N	575.803	5.191	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409266979	ZNDLGGQMEDVWCQ-YSYOEVFLSA-N	766.061	8.219	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409270321	PGTRRSLWHVSGIL-ODLFYWEKSA-N	615.855	6.133	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1OCC	409314716	HCAJXPOSDBSDOP-FZPRHHONSA-N	691.950	6.397	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1OC	409327618	VERPSDPLKGWWJP-AAPHRLRXSA-N	675.252	7.492	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1OC	409327890	XRBRBHXNMSWWNY-FDVSRXAVSA-N	500.954	5.628	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1Cl	409366290	TWKMADRJLTXMTH-FDVSRXAVSA-N	515.393	5.435	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(c1ccccc1)c1ccccc1	409393551	YJUOHOJCNPFMIY-KYHGBAKBSA-N	657.200	7.835	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl	409394676	DMMOTHBOZAFFTQ-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccccc1	409394781	FUEPVVVNBWFGQP-UHFFFAOYSA-N	696.193	8.106	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)cc1	409395270	LUGROESPDJMBKR-UHFFFAOYSA-N	661.350	7.660	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(OCC)c(OCC)c4)c(OC)c3)c(-c3ccccc3)c2c1	409397160	GYUXUJSDGFDIMU-UHFFFAOYSA-N	621.690	7.023	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397200	HISQJIOUFVOCQI-UHFFFAOYSA-N	572.415	6.572	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)c(OCC)c3)c(-c3ccccc3Cl)c2c1	409398159	RGYZJIJGDOIBAJ-UHFFFAOYSA-N	582.056	7.269	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3O[C@@H](C)C(=O)O)o2)cc1	409400849	FSJKWVYTCLIDMY-UEGXWDRTSA-N	580.435	5.644	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(O[C@H](C)C(=O)O)c(Br)c3)o2)cc1	409406466	WVFBYHABNWJFBE-TXLLAZTHSA-N	659.331	6.407	50	40	KKGB	
COc1cc(Cl)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC	409410595	YDTUSIJEOTXETL-FDVSRXAVSA-N	507.974	5.701	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1	1529548309	CEGRXJNNEAHHCB-QNDPHOHFSA-N	672.001	5.567	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(C#N)cc2)c(OCC)c1	1529548562	JBSGBNKNQCHCLL-PNPVWECISA-N	753.619	5.026	50	40	KKGB	
CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1	2220151	NWZXNPDZHWZTRK-VWLOTQADSA-N	535.069	5.735	50	40	KKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2	2384742	JYPHNDARIAPZRE-ZAQQZEBGSA-N	505.709	7.484	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1	8386002	MTAWFSJUJMHTLJ-FDAWAROLSA-N	542.433	6.353	50	40	KKGB	
CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)C1	8440293	HXHZSCWMALNHDO-ASTIPKKCSA-N	540.178	6.099	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1	8717764	QHUNQVGQLVNWQO-YMGIJWJESA-N	518.436	5.192	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1	8816837	VLZRIRIONRDNOG-MTDXEUNCSA-N	506.031	5.619	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1	9019610	KRAMIFLLQKGKPL-TWKHWXDSSA-N	513.667	5.878	50	40	KKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1cccc(NC(=O)C(C)(C)C)c1	20158746	ZCSVURHHYDYDIB-QLQYKETESA-N	520.677	7.338	50	40	KKGB	
C/C(=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc2c(c1)Cc1ccccc1-2	33422056	NWNKNODMWITNQR-IBTHDSTKSA-N	508.621	7.658	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N1	53307604	LHZRQTSXAKDCGR-QHCPKHFHSA-N	530.477	6.405	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	59856377	ZXLXYPHDYBNUIE-FMFFXOCNSA-N	560.119	6.931	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3C[C@H](Br)[C@]2(Br)C1	85907022	ZKUCDSCKSARUCE-SYHCFYQPSA-N	826.968	15.850	50	40	KKGB	biogenic
C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccccc1Cl	97960746	IUJMSFQYUQUVKU-YZSQISJMSA-N	540.063	6.793	50	40	KKGB	
CCN(CC)c1ccc([C@H]2N(/C(CCl)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1	97961131	PKRIWWFLUPLBBU-JEGMNNDESA-N	603.210	5.181	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccccc1Cl	97965814	KIELWFRVENCPLX-RCCKNPSSSA-N	534.996	5.241	50	40	KKGB	
CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(N)=C(C#N)[C@@H]2c1ccsc1	98006094	BYKVGQRYNFTOCK-FQEVSTJZSA-N	540.139	6.486	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCc1ccccc1	100062900	QKRTWKKRYJURTJ-DICXZTSXSA-N	593.259	5.724	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)N1CCCCC1	100398223	UTNHIZVPTVQHNI-MNDYBZJGSA-N	611.935	5.094	50	40	KKGB	
COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1	100858318	ATRJIQCADDMRSY-HQDYHJHZSA-N	618.546	7.071	50	40	KKGB	
CCOC(=O)/C(C#N)=C(\Nc1ccc(Cl)cc1)SS/C(Nc1ccc(Cl)cc1)=C(\C#N)C(=O)OCC	100947096	BAHQJQYJGZNYHJ-FLFKKZLDSA-N	563.488	6.495	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2	101042330	GTBJEPORFXLNJY-HSZRJFAPSA-N	527.524	5.235	50	40	KKGB	
C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C(=O)OCC)c1C	101078464	KCDTXJZXBZQNCY-QNGOZBTKSA-N	535.691	6.875	50	40	KKGB	
CN1/C(=C(\C#N)C(=O)CN(CC(=O)/C(C#N)=C2\Sc3ccccc3N2C)Cc2ccccc2)Sc2ccccc21	102851741	SEKCGRLILJXVKN-USBDYYCYSA-N	563.708	5.581	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(Br)c1O	102924210	WUBCJSAFHUSELX-PQMHYQBVSA-N	560.223	6.220	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2	103888254	RVGHZRCQKMQEDO-JMIUGGIZSA-N	535.394	6.010	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	105410468	HEUFKNSGHCLWNI-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(I)c1OCc1ccc(Cl)cc1	112246968	AIEKNSWOWIBMHL-UVHMKAGCSA-N	549.796	5.268	50	40	KKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](I)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C	123224318	RYGBTBAZCTXERG-ZEQHCUNVSA-N	514.576	7.882	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342106	CAPWDHFTBLZJTH-UWTATZPHSA-N	642.009	7.752	50	40	KKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(S(=O)(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1	245266137	IRQFNQUIHXDXON-MYQIXGSESA-N	554.116	5.187	50	40	KKGB	
CCCCC[C@H](/C=C\[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](N(C)C)[C@]1(C/C=C\CCCC#N)S(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C	263594124	CAXWFSZJMZNJRT-SXOOCUBRSA-N	731.249	10.707	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	408539269	GLBGPWZSDOMYCY-SGFZWYBVSA-N	616.714	7.595	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)c(C#N)c1C	408546248	FMGYKXRZPSPASV-MTJSOVHGSA-N	529.618	5.326	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408570773	YIUVBLCWIBDUFI-XAZZYMPDSA-N	703.451	7.583	50	40	KKGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	408609479	JWWGEQDRLXXPJX-KVSWJAHQSA-N	504.801	5.931	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	408609941	MELVDPSQIGAPHL-IBBHUPRXSA-N	528.436	5.471	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1	408641027	JFDCUHGMABZNEJ-NVPYSNMXSA-N	767.254	6.383	50	40	KKGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408676191	AIYPNGMAMCVDLO-IXFQNSDBSA-N	646.119	5.237	50	40	KKGB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408685685	PYACCIDSDGYTFI-SYMSYNOKSA-N	634.108	5.381	50	40	KKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(OC)c3)c2-c2ccccc2)cc1	408743007	RIZNTZJHMCVIRL-PPFNPFNJSA-N	515.613	6.983	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2I)c1	408745212	QHCCQJCTPIGGOE-JAIQZWGSSA-N	587.255	6.795	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	408746794	HDPXIRCRMDFARC-HNSNBQBZSA-N	549.454	6.357	50	40	KKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1	408751976	AXAVVAANGPPENF-NBVRZTHBSA-N	506.356	5.021	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1	408794191	IHGINQMJJOIGKH-VCHYOVAHSA-N	635.227	6.104	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1cccc(C)c1	408794772	SWMYYATYSLKVSR-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(C)cc1	408795418	VIGBEJOXYVENCT-WGOQTCKBSA-N	539.031	7.361	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2cccc(C)c2)c1	408817769	WSPULZRPPKHLPM-OVVQPSECSA-N	504.586	6.707	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)cc2Br)cc1	408824349	GVVYYYWFOQHZSX-PCLIKHOPSA-N	587.901	8.115	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)/C=C/c1ccccc1	408839037	LXAYPJWMWDMCGP-WHOOKFRRSA-N	547.611	5.649	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408839573	APZKYNUGZAYWNK-AJBULDERSA-N	551.709	5.652	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(Cl)cc1Cl	408842941	KOBWIISCDJQZQQ-QNVXDBMFSA-N	637.976	8.865	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N\NC(=O)Nc4ccc(Br)c(C)c4)c3C)sc3c2CCCC3)cc1	408843435	FNXSPHYVJGVDRZ-FZPRHHONSA-N	618.601	7.822	50	40	KKGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408846890	RRGKYUZJOOTXNY-KVSWJAHQSA-N	620.754	7.505	50	40	KKGB	
CCc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C	408859392	WTUFHPFYHJIADQ-APTWKGOFSA-N	553.732	7.313	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408864057	RZORXHSNOCGLFM-XKJRVUDJSA-N	589.379	5.574	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3)cc2Br)c(OC)c1	408866778	GPRJOBZQQKEMKG-SRZZPIQSSA-N	537.410	5.277	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408872749	PUMVSDUSPHFGID-UDWIEESQSA-N	506.356	6.044	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408875702	KCDFKVGJGVKTEH-BYDMSBDESA-N	667.493	6.394	50	40	KKGB	
N#C/C(=C\c1c(Cc2ccccc2Br)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1	408876874	OMZQFYPQYXOJLO-RCCKNPSSSA-N	501.811	7.392	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408879203	DADRWCZWANKPGK-AWNIVKPZSA-N	719.253	5.736	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	408892277	YJBZBGBMZKVVPM-CAOOACKPSA-N	516.768	6.988	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1	408941992	FCSSSEGGBAPTJQ-GDLZYMKVSA-N	773.606	5.062	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1	408945041	KAJGZWLQRXTIAW-GDLZYMKVSA-N	726.606	5.220	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(F)c1	408968306	VEZILRBLQNYSHD-LUOAPIJWSA-N	576.176	5.473	50	40	KKGB	
CCCCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OCC	408972536	UZMKVTNAWKVHCP-AJCQQECZSA-N	576.532	5.395	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc(OC)c1OC	408995365	BTVGAXDTJODJMX-DPNNOFEESA-N	632.467	5.710	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1	409006843	QWOCHVCROFQTMR-RRVKPBQCSA-N	603.856	6.704	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(C)cc1	409014297	IKHYVOPXZZIJRH-VVEOGCPPSA-N	564.853	5.901	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	409026195	INUOCOQTUNELIM-AJJFKZFHSA-N	622.143	6.415	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1	409026940	IRZLTDLJFFDOJN-ZTCXCAHESA-N	565.095	5.845	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(I)c1OCc1ccc(C)cc1	409036857	WMOPTOAFWDTUFX-FZKWRIDDSA-N	627.482	7.166	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(Cl)cc5Cl)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1	409039731	RYEDMRCQCOKBMW-HWCOVLPWSA-N	625.468	6.177	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1	409066693	PHFMUNDKPPFEKP-VXLYETTFSA-N	570.237	6.343	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OS(=O)(=O)c1ccccc1	409072931	UHKBKCGATHWTRB-GZTJUZNOSA-N	595.393	6.180	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409074035	JQBWTMCNPCBSJU-LDADJPATSA-N	531.417	6.014	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1	409081252	NGCUDMYWIRKZJD-OQLLNIDSSA-N	543.319	6.546	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1	409084415	XEJTZZOTPOUPQA-NTUHNPAUSA-N	556.711	7.912	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(F)cc2)cc1OC	409110939	AHLFIWXPQLKJLE-MHDJOFBISA-N	633.529	5.903	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1Cl)Nc1cccc(C(F)(F)F)c1	409163284	OVELOIXFNOMCJP-PNQUVVCRSA-N	553.324	5.119	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409164314	GPLTVBITAYYEEH-KVAAJVFYSA-N	579.097	5.263	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1F	409220483	ALTJYFYKAPSKAW-QLTNSANVSA-N	523.402	6.350	50	40	KKGB	
COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1I	409223066	YRMYHRIGJNHQCE-WZUFQYTHSA-N	598.100	5.469	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(C)=O	409224062	KCMHJCGBDALZAS-HQDYHJHZSA-N	600.027	5.818	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)c1ccccc1	409243368	YBGGISGZZMBHEH-FIJRTHIRSA-N	565.265	6.447	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409243614	ZCUSPDAXSKORES-WCEBZYJUSA-N	536.382	5.729	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1	409261846	DNWOCFAFPLDSRJ-NVMNQCDNSA-N	661.734	6.523	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)ccc1OCc1ccccc1	409262506	FMTNBXZDMDYYDA-HQDYHJHZSA-N	681.381	6.971	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409262839	KDBHTJAGNBVPKJ-BKUYFWCQSA-N	562.420	5.416	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)cc1Cl	409263124	ACTOFNCXLBGTNZ-OCKHKDLRSA-N	631.752	7.353	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1	409268582	WDFHHGOLYJGWDK-RPPGKUMJSA-N	640.228	5.322	50	40	KKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C2C#N)cc1	409301262	DLZZBGBKEHLZHV-HNNXBMFYSA-N	511.978	5.791	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OCC	409315326	IWNOSZJCDBZOMZ-MWLSYYOVSA-N	631.423	5.514	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1OC	409319428	GAUMZQVMKZSKAM-MUXKCCDJSA-N	660.768	6.194	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc2ccccc12	409367462	AKEYRIWBBPXRAF-MNDYBZJGSA-N	605.341	6.250	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1	409374508	RKDGXVQNDOHSKE-WOJGMQOQSA-N	508.803	7.021	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409394823	GKDPCCNMHPMZSZ-UHFFFAOYSA-N	523.976	6.480	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409395364	MRYQKHGJYDTTJT-UHFFFAOYSA-N	732.294	8.204	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)cc1	409396059	VVPSISOSFNZCNG-UHFFFAOYSA-N	593.437	6.461	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	409397832	OMWSEGNZWYIUDU-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409398803	VXVJZADZTMURTB-UHFFFAOYSA-N	707.908	7.010	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl	1529546802	HRGVXIFWUNFWCF-QNDPHOHFSA-N	627.550	5.457	50	40	KKGB	
CC(C)(C)OC(=O)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)/C(=C\c2ccc(Cl)cc2)C1	2056345	YFWOQBJKRYYPKI-QRKROWPFSA-N	510.421	6.389	50	40	KKGB	
Cc1ccc(C(O)(C(=O)NN(C(=O)c2ccc(Br)o2)c2ccccc2)c2ccc(C)cc2)cc1	3672609	XETWAGBUYBQJFE-UHFFFAOYSA-N	519.395	5.273	50	40	KKGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1	8766479	CIKGZUDFGSJXDF-IDJUBOEBSA-N	511.603	5.237	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Br)c2)c1C	8812723	WOJZEATUGVCBJS-BRJLIKDPSA-N	519.237	5.700	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc(OC)c1OC	13661756	XQDJUFGTDWDTRE-LQKURTRISA-N	523.659	5.027	50	40	KKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(N3CCOCC3)s2)c(C(C)(C)CC)c1	14357106	XYGZZQPYAYCAPZ-MWAVMZGNSA-N	513.748	6.269	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1	20197307	RSOFEYAAZPTYGK-UXHLAJHPSA-N	517.423	6.734	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12	30738568	ACDRDZDWSKVKSC-OBVXOFSNSA-N	520.629	6.619	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccccc1	35227220	NMDMVDBABVSJQP-STBIYBPSSA-N	503.396	6.344	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1	36235449	WVNKNUMDXBSTKZ-MBNOABRHSA-N	518.617	5.253	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1	59484012	NRRFPQSNVARCNN-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
CC1(C)O[C@@H](C[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)[C@H](C[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)O1	95100331	YHICXBALOVINFF-CXNSMIOJSA-N	680.809	9.244	50	40	KKGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2nc3ccccc3s2)N1	96933953	DTGKUPMAXYJFGW-VWLOTQADSA-N	555.685	6.213	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1COc1c(Br)cc(Br)cc1Br	97959844	QOVOATBREWSFNY-MUUNZHRXSA-N	776.751	9.156	50	40	KKGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1CSc1nc(C)cc(C(F)F)n1	97965692	IMJYSBYTGBCFJV-VTNSRFBWSA-N	548.615	5.410	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	97980838	VYUJRHKOQNWKEC-FABQOPTDSA-N	572.061	6.326	50	40	KKGB	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccccc2)cc1	97982942	HZEHHAPMRJBJOC-NBVRZTHBSA-N	526.412	5.194	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999719	PLGYYQBQNRKNSR-MGBGTMOVSA-N	609.748	6.688	50	40	KKGB	
COc1ccc(C(C(=O)NN(C(=O)c2ccccc2OC)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	98003625	GZNFLIGGAWGNTL-UHFFFAOYSA-N	542.635	6.416	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	100127459	KKJIPVBIIGSCAK-WCMJOSRZSA-N	573.477	5.886	50	40	KKGB	
O=C(CCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)NNC(=O)COc1ccc(Cl)cc1Cl	100538024	NOGQRNKZOCCKPD-LSCVHKIXSA-N	593.341	5.508	50	40	KKGB	
C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc(Cl)cc1	100852537	VVZJNFKQTJRNKY-LQNQUEJISA-N	537.110	5.920	50	40	KKGB	
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc1	100928453	QXQGODTUZFGHCV-CJLVFECKSA-N	564.461	5.885	50	40	KKGB	
CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1c(C[C@@H](Br)CBr)cc2c(C)cc(=O)oc2c1C	101509871	PINXDZNNUYASCS-IRLDBZIGSA-N	623.338	6.111	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	103882947	ABDNPNPIQMJYNF-STZFKDTASA-N	615.753	6.700	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)o2)cc1	103902758	YENWSEFTHDDELH-QCFMCPCVSA-N	549.671	6.342	50	40	KKGB	
CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C\c1ccc(F)cc1	103994873	OGTIBPYTYVFTQL-OQVGDTCNSA-N	629.520	6.723	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cc(C)cc(C)c2)cc1OC	150474299	PMCMFLSKYDNKNW-KVAAJVFYSA-N	643.593	6.381	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(-c2c(Br)cc(Br)cc2Br)o1	150503951	KFCHQVXMTNDAJF-LFVRLGFBSA-N	645.145	7.443	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2cc(Cl)ccc2OC)cc1OC	164806245	ZURITXSAUFBADD-FDALDRLYSA-N	674.175	6.444	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169795279	YTTJEDNFUNDSGW-OLQVQODUSA-N	974.034	11.632	50	40	KKGB	
CCOc1cc(COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	408538930	ROUJMFASWOXWJI-XYGWBWBKSA-N	584.028	7.351	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(C(=O)OCC)c1C	408546506	KJORAZHYBGTWJF-LDADJPATSA-N	521.547	5.087	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1I	408551235	MQKXVUFCIZPOSH-XNTDXEJSSA-N	515.376	5.214	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(I)c1OCc1cccc(F)c1	408553317	NUYUGHGDQVTKFJ-GIJQJNRQSA-N	613.452	6.376	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Cl	408569328	NFPQKGLGICCYRB-AMVVHIIESA-N	558.512	6.452	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccc(Br)cc1	408592078	XKXSHWZIOJUFNT-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1c(Cl)cccc1Cl	408610798	UMXJZKDLOUBYFS-IBGZPJMESA-N	542.463	6.084	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408646192	TXAUGTIZSGGHNU-CGXNFDGLSA-N	743.257	6.436	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408653910	QCFNACDEFYSRIN-HLFFMGMJSA-N	661.944	7.262	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1ccccc1	408731399	MCIWTJZUCSYCOP-SEPVPZSASA-N	576.450	5.416	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1cccc(I)c1	408764269	SQLJCNKQRFOFSF-RWPZCVJISA-N	585.239	6.550	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(Br)c2)S(=O)(=O)c2ccc(SC)cc2)cc1	408791481	ZFGCVOYCJOFXPP-OVVQPSECSA-N	576.538	5.305	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(I)cc1	408792875	BSTMABFGIYDMMZ-CPNJWEJPSA-N	540.357	5.520	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408793532	FQIDUTYEYYEBIL-VXLYETTFSA-N	526.376	6.733	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1Cl	408794372	IXSYFFBGNKZGIG-CXUHLZMHSA-N	536.640	7.534	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408795388	KZTUGTMSKACCFL-YBFXNURJSA-N	647.263	6.275	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(I)c1OCc1ccc(Br)cc1	408800008	MRIBPCVUOCELIL-MXYMETFWSA-N	623.329	6.633	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	408807773	KYOJDUUUXZFSGP-CPNJWEJPSA-N	507.804	7.925	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1F	408813197	QBTKKBSJPCJDHP-YVLHZVERSA-N	530.191	6.475	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccccc1F	408818270	XHZFYTJJZAHMLS-PXNMLYILSA-N	548.181	6.614	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408819335	RHXHWXPEPWCGKT-MOSHPQCFSA-N	536.357	6.350	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(I)c1OC(C)C	408821191	DJLIAWKBVNFIKP-UDWIEESQSA-N	602.856	6.865	50	40	KKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408826750	KRAKETUCGMRTAR-DEDYPNTBSA-N	509.389	6.691	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3C)o2)cc1	408829292	FJTXQOXGGJGGKM-LJUMEUDFSA-N	579.078	5.030	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408830988	ZDQNOUCRCZNUOD-WSDLNYQXSA-N	672.790	9.122	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)O	408838866	JMCGJEAEIQOALW-VVEOGCPPSA-N	676.920	6.438	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408839110	NDIDDKBFYANUPC-WKULSOCRSA-N	522.344	5.822	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(OCc5ccc(Cl)cc5)c(Cl)c4)cc3)cs2)cc1	408839362	RCHLXBMJPXZHOG-QNVXDBMFSA-N	621.977	9.165	50	40	KKGB	
C#CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC	408844390	OFZPUGQUCRPRMK-FJEPWZHXSA-N	595.906	6.754	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2Cl)cc1	408845771	RPQFDSJLRRKQFD-KVAAJVFYSA-N	587.532	8.512	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC#N	408846436	NJOOREGHWXXBCN-MNBJERMJSA-N	590.421	5.732	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1	408846454	NMDGPEJNZUEQJT-NVJOKUIPSA-N	592.671	6.963	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccccc1F	408848079	WVZCPRIFDRZBJW-IIHBXENTSA-N	684.453	6.930	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408849095	VBNZDOWEFDIALH-NVJOKUIPSA-N	503.769	6.745	50	40	KKGB	
COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4cc(Br)ccc4c3Cl)cc2)cc1	408849633	ZQGUJELZFGFHGN-UHFFFAOYSA-N	558.841	5.653	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1	408853758	RGVPYACJLKEHDX-PPDIBHTLSA-N	654.096	6.905	50	40	KKGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408856566	KHLYDVYGETTZMY-LSHDLFTRSA-N	526.821	5.997	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCc1cccc2ccccc12	408862995	JYQCJXLPSTUOQZ-ROPCREHHSA-N	623.518	6.939	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408864854	AOPKIUDSAYVBIN-MTDXEUNCSA-N	514.047	5.173	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408879011	CFUIFLKGVCEWOC-BRJLIKDPSA-N	610.202	5.313	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1c(Cl)cccc1Cl	408881415	LAHSCDVJWRQQRS-LFIBNONCSA-N	516.178	6.521	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Br)cc1	408888178	XOCPFCBAHGAPHQ-DEDYPNTBSA-N	525.424	5.688	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OS(=O)(=O)c1ccccc1	408894962	LFUNFCGOEUROSC-RCCKNPSSSA-N	577.456	6.314	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)c2)cc1	408921780	BYDFYNWOHQXTJB-LDADJPATSA-N	633.318	5.792	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2I)c1	408922857	GXJLDRPQYKRVNY-CAOOACKPSA-N	699.670	6.891	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1	408944746	JPUKZQBEHQEWHS-NDEPHWFRSA-N	671.559	5.186	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(I)cc1	408945162	KHSZKRXXIAZNLI-NDEPHWFRSA-N	763.452	5.518	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OS(=O)(=O)c1ccccc1	408949429	FKIJIXDZVSOYKQ-ZCTHSVRISA-N	565.047	5.849	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(C(=O)O)c1	408952830	VYQYRDMPAKRRDO-NVJOKUIPSA-N	649.235	5.850	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)c1OCc1ccc(Cl)cc1Cl	408973993	SZCVGFKSLMXCTL-KBYBVTDASA-N	526.420	5.047	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	408995780	DRPFTZBRSLUJLV-WCMJOSRZSA-N	666.282	6.355	50	40	KKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1	408998798	SGDWQCIQIJRODD-MUFRIFMGSA-N	546.377	5.586	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(C)cc1	409002248	MQJDZCUMSFKGOV-JEPNHJGPSA-N	611.651	5.655	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2ccc(Br)cc2Br)cc1	409008803	IMSHVYWLJDPJED-WKIKZPBSSA-N	575.257	5.067	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(-c2ccccc2)cc1	409031805	BJSNRNPAMJMVCZ-GOJREDGKSA-N	520.636	7.740	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	409146336	SIFUARBBYOCRTN-CCVNUDIWSA-N	627.704	6.378	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F	409154700	POYNTOTZTQJCAE-ZHSUKTGHSA-N	635.437	5.590	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OCC)c2)cc1	409171010	YHJOOEPQAQCDMY-VTNSRFBWSA-N	672.520	5.202	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(I)cc1	409189477	PKHDPXSXVZIXGC-RPPGKUMJSA-N	555.199	5.950	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)c1ccc([N+](=O)[O-])cc1	409208175	BPQCGRSLNLCZDQ-OCKHKDLRSA-N	633.183	6.319	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1cccc(C)c1	409218529	FPWLTWYVQIGNQR-UHFFFAOYSA-N	535.600	5.938	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)n1	409245152	OCUGPNMFFUWCJU-NSKAYECMSA-N	601.297	5.826	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1	409259233	XMCZBNSSZGCSIE-UNOMPAQXSA-N	550.409	5.338	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2Br)cc1Cl	409264706	PLQYYZGSPCLHHC-PPDIBHTLSA-N	579.676	5.955	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccccc2C)c1	409266152	PNLCNMPPJIBOJW-WKIKZPBSSA-N	575.257	5.310	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1OCC	409322388	WLSHANNUXKUBHO-LJUMEUDFSA-N	598.494	5.735	50	40	KKGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409325102	WYVIGJBEMFPKBD-UXHICEINSA-N	525.841	5.717	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(Br)c1OCc1ccccc1Cl	409369598	QNJSDSCVOHANCA-UVHMKAGCSA-N	530.806	5.412	50	40	KKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409373700	SWXLVRZDHQYFIK-AMVVHIIESA-N	696.710	7.054	50	40	KKGB	
O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccccc1F	409380063	GQBSOKHJEKUNGE-DLCNMLRHSA-N	644.526	7.237	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(OC)ccc(OC)c2c1-c1ccccc1	409394984	IKVPKTLAXSRJMK-UHFFFAOYSA-N	662.924	7.260	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409395647	QFTWYJHWSXEQGS-UHFFFAOYSA-N	658.833	8.392	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1	409410506	XQRSZEZWCSWKIY-FABQOPTDSA-N	657.477	6.920	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	1529544440	GFXHZQSNYBZRIZ-CNJQKGFMSA-N	614.555	5.286	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	1529546536	FZIXIUNVTQBFMU-HBPAGYSFSA-N	808.449	5.426	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Br)cc1	1529548966	QZGDAXHUGPIGLE-GHUOZWDFSA-N	677.621	5.642	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCc1ccc(Cl)c(Cl)c1	1531386422	MJEJAROZLZVDPG-IZYHBKOJSA-N	618.517	7.924	50	40	KKGB	
COc1cc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)c(OC)cc1Cl	1067719	LPMJBBKPPUESOB-NDEPHWFRSA-N	575.090	6.064	50	40	KKGB	
O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C/c1ccc(Cl)cc1Cl	3091090	OLTILGDKWFKEFI-GEVRCRHISA-N	514.432	5.734	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cc(C)nn2-c2ccccc2)cc1	3239270	CWBSCQQUBWNWBB-PTGBLXJZSA-N	500.562	5.588	50	40	KKGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	3659999	OVWFHYZDMQNNDB-MUFRIFMGSA-N	503.546	5.174	50	40	KKGB	
CC(C)C[C@H](CSSC[C@@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	3850965	AEWOICLODRFYKF-CLJLJLNGSA-N	532.772	7.050	50	40	KKGB	biogenic
N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1)c1nnc(NC(=O)c2ccccc2)s1	16955621	SZZCOGHPAZUSCB-HMMYKYKNSA-N	513.535	5.221	50	40	KKGB	
N#CC(C(=O)CSC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1)=C1Nc2ccccc2N1	18181424	BUCRHDGRRHBVPI-UHFFFAOYSA-N	525.703	5.254	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	20059443	ITZNLQVMWFUTNZ-VUTHCHCSSA-N	504.011	5.499	50	40	KKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	20240625	XUYCGQUSWMZQQO-JWHWKPFMSA-N	531.656	6.124	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl	33958326	IXBOPROCYNOPHL-XODNFHPESA-N	504.345	5.199	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	59646921	RTECWAZKSWXOEO-KCSSXMTESA-N	537.641	5.666	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	59647362	SOHMIYFALIXNLX-FDAWAROLSA-N	568.482	6.161	50	40	KKGB	
O=C(N[C@@H](Sc1nccc(S[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)n1)C(Cl)Cl)c1ccccc1	97983167	RJKNACWHHQHLIQ-VQTJNVASSA-N	610.803	6.347	50	40	KKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21	98001586	PNWALYKEBCBDJW-UHFFFAOYSA-N	566.047	5.142	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1	100062222	BBYNOVHEFJXMEE-DHRITJCHSA-N	596.206	5.547	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1OC	100955567	KPOTZNAPAXDRGU-UZWMFBFFSA-N	593.522	5.117	50	40	KKGB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c2C)c1	102941430	KPXDVQWTGFBQCK-MXAYSNPKSA-N	607.575	5.585	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12	103610625	FUJGXJUETUYJAS-FJEPWZHXSA-N	544.435	5.627	50	40	KKGB	
CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341790	FGVKMAOLVWSRSP-GOSISDBHSA-N	648.423	11.155	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341863	QHBGTVZLJJACEY-REOHCLBHSA-N	992.058	12.199	50	40	KKGB	
CCOC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C(=O)[C@H](Br)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C	253617315	RBYRHDBWVSOLNG-FTDUOYCISA-N	597.587	5.650	50	40	KKGB	
CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	408539168	ULYZWQCAYFWPBM-DXJNIWACSA-N	577.548	8.039	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1	408539900	KJVDKMNWECMWNC-FZPRHHONSA-N	609.904	7.042	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(C(=O)OCC)c1C	408546997	QCNMVWLOMLWQJU-XNTDXEJSSA-N	601.431	6.059	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc1OC	408547482	XOKMPBJQMYZYEY-LZYBPNLTSA-N	529.412	5.160	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1OCC(=O)Nc1ccc(C)cc1	408554285	RIYXBWWOFLFMCN-XSFVSMFZSA-N	526.618	5.379	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1nc2ccc(F)cc2[nH]1	408566518	AHSRJIJFBJHZMO-SXGWCWSVSA-N	574.191	6.712	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1Cl	408598877	KQXWDWALESSGIT-GRSHGNNSSA-N	503.223	7.798	50	40	KKGB	
CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1c(Cl)cccc1Cl	408609269	QTWFSSBCQLSQQR-SFHVURJKSA-N	528.436	5.776	50	40	KKGB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	408642772	NVDQBUDEYWGOKY-YNDNJQNWSA-N	631.148	5.544	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408643037	OLWZHNGPTRZONS-CNNODRBYSA-N	568.284	6.226	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408675864	BXCKGOXYZUUGOK-OCSSWDANSA-N	565.468	5.148	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCc1cccc2ccccc12	408711854	NQPAVGKYOXVDQN-OKCVXOCRSA-N	676.292	6.791	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408726590	UBCGJHNHNFQTPF-UNOMPAQXSA-N	569.355	5.723	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)c1	408745060	JJMIEUNUWRVHQQ-GRSHGNNSSA-N	600.263	6.433	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2I)c1	408746519	ZRQCLIOIOQQJJR-JAIQZWGSSA-N	634.255	6.637	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408758198	HJJBFBKDNFGRNU-DHRITJCHSA-N	627.267	5.050	50	40	KKGB	
N#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I	408758866	STDHMILMPFNLHQ-SDQBBNPISA-N	587.009	5.264	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2I)c1	408762464	KMTDGJIPMKJKRA-ODLFYWEKSA-N	573.228	6.487	50	40	KKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc(C(C)(C)C)c1O	408764245	LTVPMPIYVQPOGN-CHSHITCJSA-N	694.508	9.327	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1	408764488	XDEZYKLXGISTEE-KGENOOAVSA-N	613.486	5.646	50	40	KKGB	
Cc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1ccc(Cl)cc1	408786245	MYEZCZWPAANCEK-ULPWCQAASA-N	590.703	6.350	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c2ccc(C)cc2)cc1	408789828	MEMNEWDZSCOXIH-XHLNEMQHSA-N	523.724	5.750	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408793954	HLBAWRYQFJWAEQ-GIJQJNRQSA-N	637.257	6.518	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408799187	YGTAKUNNZXXEMO-YDZHTSKRSA-N	593.894	8.359	50	40	KKGB	
CCOC(=O)COc1c(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408811573	LPDMOQYPRRVHQT-CAQPMQTCSA-N	637.474	5.772	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3c(C)ccc4ccccc34)c(OCC)c2)cc1	408816940	ZJGDQWBEWRCRQF-LFVJCYFKSA-N	541.047	7.724	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408820836	ZINXBFCSQAJMIV-JMIUGGIZSA-N	590.301	6.966	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(Br)cc4)cc3)cc2Br)c1	408821039	BTEVHHLJSOHOAN-PCLIKHOPSA-N	632.352	8.224	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c(OC)cc1Cl	408828289	DJFVKSLPWZKYBZ-RQZCQDPDSA-N	545.792	6.383	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408828713	LXZJRKLZBAMOQQ-FDALDRLYSA-N	646.596	7.568	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccc(Cl)cc2)cc1	408830170	RKYZRGWIKZDULD-LQKURTRISA-N	552.996	5.162	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	408830711	OEBVVARNRLGNLG-FDAWAROLSA-N	566.079	5.387	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C(C)C)cc3)o2)cc1	408831971	IDQZPTTYOJTVQA-DLCNMLRHSA-N	641.577	6.498	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408834277	VOQZBHVXOBUHOU-PCLIKHOPSA-N	628.479	7.460	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5cccc(C)c5)c(Br)c4)cc3)cs2)cc1	408839459	SPHVWQXBSWSTPL-XJECJHNESA-N	690.461	9.038	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	408840289	DEILEAKZUMPDDA-IPBVOBEMSA-N	594.369	6.529	50	40	KKGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408844319	NINAFFCRAVDQNN-KVSWJAHQSA-N	620.754	7.505	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)c(Br)cc1OCc1ccc(Cl)cc1	408847478	MWMDCVATSGBCDQ-UVHMKAGCSA-N	566.677	6.607	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1	408864102	STZDWLBRWOAQHF-IZYHBKOJSA-N	659.086	6.030	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408876184	JTLOOELARSXGFX-VTNSRFBWSA-N	595.946	7.746	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(Cl)c1OCc1ccccc1	408893864	GLJLVSAACIWMOD-YBFXNURJSA-N	604.726	7.697	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1	408896771	ZXHQPWTZNUNSCY-JEPNHJGPSA-N	632.573	6.955	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c(OC)c1	408922616	GCWKLQGYVFJZSY-YGHCGPHYSA-N	762.661	7.303	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Br)cc1	408924711	NRDKAGOFOGVUKE-XNTDXEJSSA-N	582.259	6.078	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408944224	ITKIBRUVRQUXCU-MUUNZHRXSA-N	692.021	6.119	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408948159	CFRQDWLRUYTTKF-JEYOMWNISA-N	675.953	5.955	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1Cl	408968998	FMGPJOINKQSASR-RLDVSCBWSA-N	553.273	5.945	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc2c(c1)OCO2	408971327	IMPXDBPDARSICD-DCUVDUBSSA-N	644.552	6.148	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c2ccccc2)cc1	408977449	DLLXCKJKFJIEEA-VKMIRQPFSA-N	566.477	5.578	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408980022	PNTQVVLLDKWZCV-KWAQJPELSA-N	512.009	5.931	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1cc(Cl)ccc1Cl	408997514	MTZOLMOYXJWCFB-VYVUJPJFSA-N	531.749	6.162	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409009789	ICZSAGCKLXUJJS-LGJNPRDNSA-N	573.184	5.729	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1cc2cc(Br)cc(I)c2o1	409011195	MTIMONLWYCEHLC-JJKQSNDFSA-N	694.150	8.603	50	40	KKGB	
O=C(O)c1ccc(COc2c(I)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)cc2I)cc1	409021438	HOUSECOCGOZZJM-FXMZOFOKSA-N	700.654	6.337	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1	409028788	SNWXXBSPGVWLGF-OCSSWDANSA-N	599.938	5.856	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409041312	UVUHFWYUGFKEQI-IZYHBKOJSA-N	649.372	8.713	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409053839	CZOVZFXXHWPAOI-DEDYPNTBSA-N	534.410	5.719	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	409113442	GATRPMREAIZPFJ-NVYWJLDASA-N	649.169	5.341	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409154076	NRRJWCUKVWKBDW-KPGMTVGESA-N	601.487	5.596	50	40	KKGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	409158934	UKUHCOUNJALQOA-LQKURTRISA-N	573.285	6.050	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Br)cc1	409191599	IWRBVFZUXPSKCH-MUFRIFMGSA-N	527.846	6.573	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409192827	CCZVUTJGUGPMAZ-BIAHDLMSSA-N	509.591	5.911	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1	409223117	GYTAFAMPQOCIRT-RQZCQDPDSA-N	514.796	6.518	50	40	KKGB	
Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2I)c1	409235440	PZOJANOYUZKMPG-UCQKPKSFSA-N	662.309	6.439	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409239224	CMVXRQPVAVMCNP-UUASQNMZSA-N	560.186	8.444	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409252702	USPJGOPTXMAKBC-MUXKCCDJSA-N	569.412	5.154	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1	409258588	VMVVIIRKNXCGSJ-GZTJUZNOSA-N	555.226	5.775	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)c(C)c1	409273622	ZOCRQFFRYJDXIP-UNOMPAQXSA-N	538.829	6.283	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC	409319912	NOXHIURVHYEGEO-MUXKCCDJSA-N	664.263	6.548	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409324216	SPNLJIMDSLAKGB-PMACEKPBSA-N	586.856	5.294	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3C)NC(=O)[C@H]2C(=O)OC)cc1Cl	409333145	IXBNLCWZJQWOTA-SFTDATJTSA-N	582.893	5.464	50	40	KKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	409349905	VFWSNQVDADGWLY-IPBVOBEMSA-N	630.562	6.769	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409394557	CEBOKKWQRZWWON-UHFFFAOYSA-N	810.710	9.329	50	40	KKGB	
Cc1cc(C)c2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2c1	409395490	OFWAONQPZOHEHG-UHFFFAOYSA-N	747.793	9.632	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(Cl)ccc1OC	409396298	KLQWCDRIPXUIAV-UHFFFAOYSA-N	681.370	8.295	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1	409396669	ZYAMLJMKZWOHCX-UHFFFAOYSA-N	799.528	10.066	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397388	JGVKFBOWTNADNM-UHFFFAOYSA-N	667.343	7.905	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409398557	UMCPNXOOXYNYFC-UHFFFAOYSA-N	527.964	6.463	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)Nc1ccccc1	409404970	RNUVXMHMKUBUHC-CLHYIUPASA-N	685.575	7.209	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc(C(=O)O)c4)c([N+](=O)[O-])c3)o2)cc1	409406933	YDGMRYDUVVWINR-HQDYHJHZSA-N	608.607	6.215	50	40	KKGB	
CO[C@@H]1[C@H](C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CC=O)[C@@H]1CS(=O)(=O)c1ccc(C)cc1	504772246	KOLNCCOWEPGLNP-RSGSHXSCSA-N	614.994	6.559	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1C(F)(F)F	2230598	GZBCQIJHAPKWOS-VFLNYLIXSA-N	516.932	5.300	50	40	KKGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1	13174453	ATWZAHIWDPNTJG-HSZRJFAPSA-N	511.569	6.123	50	40	KKGB	
Cc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926173	CYFUTOXYQCNYPV-UHFFFAOYSA-N	518.123	6.621	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1	97950429	FGJUTBTXVAYQKV-WJOKGBTCSA-N	544.680	6.855	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1OCc1cccc(C(=O)O)c1	97960852	KEAKJYMAWWEHPG-IBBHUPRXSA-N	578.419	5.202	50	40	KKGB	
CC/C(=N\NC(=O)COc1c(Br)cc(Br)cc1OC)c1ccc(-c2ccccc2)cc1	100046403	PNIOKLPIZNBHPV-SZXQPVLSSA-N	546.259	6.197	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1	100063678	CDKRUAPIAFDMRB-CVKSISIWSA-N	535.409	5.022	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1	100220764	AZFPITBNNZSAMB-ZCTHSVRISA-N	565.095	5.492	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	100227692	XNGVHASWYGAQOO-ODLFYWEKSA-N	571.327	6.149	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)c(OC)c3)nnc2-c2ccc(Cl)cc2)cc1	100242246	QNTQGJLKAKIWQL-JEPNHJGPSA-N	628.154	6.816	50	40	KKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1	100987641	QNEWRICRRQTPNJ-LZYBPNLTSA-N	538.378	7.170	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)N(c2ccccc2)[C@@H](c2ccccc2Cl)NC1=O	101177767	XPIRNBWEOLSBRH-SANMLTNESA-N	606.560	6.783	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)cc1	102097100	WVFPBCISKAFBSS-DRZCSJLFSA-N	564.465	6.451	50	40	KKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)o1	102278499	OYZNDKQLIFIBPC-KUEPBFPISA-N	537.576	5.150	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(Br)cc1	103882680	MESKAXVLLJEUIX-OOAXWGSJSA-N	586.530	6.411	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1Cl	103889785	NQMDFARHIOILAZ-SXGWCWSVSA-N	522.215	7.433	50	40	KKGB	
Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104479075	FICRYFXUIRKMMG-UHFFFAOYSA-N	542.664	7.729	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NNC(=O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1	150452422	UZFGVQLCPZREMS-UMSFTDKQSA-N	695.241	5.238	50	40	KKGB	
O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	163622499	IHBBPZWIBDCNBW-KVSWJAHQSA-N	630.426	5.185	50	40	KKGB	
COC(=O)[C@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	196685026	NOATULMQVVEPQO-BJWFOKEOSA-N	904.120	8.120	50	40	KKGB	in-vitro
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)Cc3ccccc3)cc2Cl)ccc1OCc1ccccc1	408540264	PJNDENQHTDEYLV-OHUYPAJKSA-N	549.454	6.853	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc(C(=O)O)cc1	408543586	OZASBHXPJHWZRY-JAIQZWGSSA-N	525.298	5.331	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCc1cccc(F)c1	408548511	HZQCANIRVYOMES-KSEXSDGBSA-N	535.356	7.235	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551620	LMZZMFYPKIEQAX-ULPWCQAASA-N	646.696	6.432	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408552562	JVDSXUUXCNOHQF-YVLHZVERSA-N	559.247	6.628	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408552895	LMHUJBVKXIDKOC-MNDYBZJGSA-N	532.855	6.771	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Br)cc1	408579337	FWCMKPRVHHZPPK-GZTJUZNOSA-N	502.195	6.838	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Br)cc1	408646845	IXUUSPQTYLHDBP-YUEHCAIXSA-N	673.583	5.121	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408677147	PQIOVNOOVHWYKN-AJBULDERSA-N	539.661	6.518	50	40	KKGB	
Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2I)c1	408740682	DEMVDCHVXGFIMW-ODLFYWEKSA-N	573.228	6.487	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1	408743925	CMXLJONEILCBHX-IUXPMGMMSA-N	633.236	5.916	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1Cl	408744513	LSDWFWNZBIVACO-LICLKQGHSA-N	576.672	6.998	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)c1	408745680	UYHGJJHDUUKRHN-LSCVHKIXSA-N	664.237	6.058	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	408748154	ZFRPFKRQTABJJY-KQWNVCNZSA-N	544.424	7.120	50	40	KKGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408748466	AOQBDZXTOSXDIR-GXBUFBABSA-N	561.598	5.576	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OCc1ccccc1	408758736	QBGOVRXDVMIQDL-FYFIDXDESA-N	602.551	5.188	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1	408765459	WDYTVIYXPVFLMR-GZTJUZNOSA-N	623.266	5.676	50	40	KKGB	
Cc1cc(-n2c(C)cc(C=NNC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)c2C)ccc1I	408778457	GCRREBCDMCOFSI-UHFFFAOYSA-N	584.889	6.832	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2I)cc1	408795367	KYNGCRVTQZMKLP-SRZZPIQSSA-N	648.282	6.946	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408796023	OAHGJXJBWZZNKJ-CIAFOILYSA-N	582.394	5.821	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc4ccccc4c3)cc2Br)cc1	408797439	RMWVQERLPHVALE-PCLIKHOPSA-N	571.471	7.524	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1cccc(F)c1	408798152	UVWJKJALWUQMIW-CAOOACKPSA-N	564.238	7.418	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408831165	QCMSZFMLMBAFNO-OKCVXOCRSA-N	556.471	6.050	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccccc1	408833912	WWIHEMOEURZBKQ-KCSSXMTESA-N	583.541	6.309	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(C)cn34)o2)cc1	408837425	FEBMOUYHEZUSNM-ZMGVVAQMSA-N	590.105	5.661	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839144	NTSAJGMJDYNDAD-QQMJPZKZSA-N	859.742	10.066	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(Br)cc1OCc1ccc(I)cc1	408841423	GYCBFVOFCGCCIQ-HBHSWBPBSA-N	759.386	7.943	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCc1ccc(Br)cc1	408841839	HXKIVRUMLAJAIU-IZYHBKOJSA-N	720.487	9.129	50	40	KKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1I	408843576	MFLKAIRBNYXOAW-XJECJHNESA-N	689.966	8.026	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Br)cc1	408844158	CITQZAMJQYVKRS-NVJOKUIPSA-N	684.122	6.914	50	40	KKGB	
Cc1cc(Br)ccc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(Cl)cc2)c(C)c1	408848693	RYGHGYSNHXBOND-FYJGNVAPSA-N	509.831	7.152	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccc(I)cc1	408849021	YJRXWEJLULNAPF-VVEOGCPPSA-N	623.442	6.610	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC	408849692	XYSFRXVCYPHBMP-XHPQRKPJSA-N	634.154	5.916	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc2ccccc2o1	408857675	PHSSISALALHMOR-BCHBDCPOSA-N	666.209	5.714	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC	408859316	SKAFJKZROBBJDF-DPNNOFEESA-N	656.986	6.588	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	408860301	XZMOIWZZIQHGHP-ALQBTCKLSA-N	635.142	5.329	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2cccc(C)c2)cc1	408864594	YDYWVXZDJXBFJI-BIZUNTBRSA-N	562.091	5.881	50	40	KKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cc(C)cc(C)c2)c(OC)c1	408879356	FURHCBZPYRWOCP-YDZHTSKRSA-N	519.439	6.762	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1	408880635	HNKDQMLEWLWRBR-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	408882113	PYJJXIVEFTYGPW-MHWRWJLKSA-N	551.835	6.359	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCc1c(Cl)cccc1Cl	408885521	BILXBHBQGHIUDI-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccccc1Cl	408885676	DRPZVZZOOUPTSU-LZYBPNLTSA-N	566.666	7.543	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCc1ccccc1Cl	408904033	CQFQVPYYWWMNOI-PPDIBHTLSA-N	605.772	5.951	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OCc1ccc(F)cc1	408923743	LLDJJEIMNDRQDF-RPPGKUMJSA-N	583.195	5.544	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c(OC)c1	408948619	CZACUVHOHAHVAT-MWKDUONYSA-N	641.508	5.301	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2C#N)c(OC)c1	408952909	KYTQSPVIKVLSFT-DBXYLJAYSA-N	755.420	5.391	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)c(OC)c1	408953780	MPYCDKWFPYVMIM-SXWOMVPGSA-N	671.534	5.310	50	40	KKGB	
COc1ccccc1C(=O)N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]12	408957206	SSXVUQFKNBRYGL-PZYXNHBDSA-N	576.052	5.624	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)OCC)cc3)c(I)c2)c(OC)c1	408958380	YGOPXNGSRCBPOH-KUSRIXJQSA-N	896.473	5.380	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)c(F)c1	408965437	HLLWSWAHWMPZPI-IPBVOBEMSA-N	565.624	6.219	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl	408972382	SKXVNEZVTJSIPL-WTXCFUDVSA-N	669.005	7.270	50	40	KKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408976404	ASWNVCUTLAEKTN-ZCGOLBPFSA-N	516.941	5.520	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)c1ccccc1	408994290	YZZDFZPYUPUVRX-RUDKWAFVSA-N	539.595	5.276	50	40	KKGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)OCc1ccccc1	408994409	ZMPGPAUPSQBEOX-FASBHPNXSA-N	655.347	5.502	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(C)cc1	408995862	FIVGYNHJORZXEC-FMFFXOCNSA-N	535.600	5.938	50	40	KKGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(OCc2ccccc2Cl)cc1	409012172	JIQSZZNILRVRAP-OCSSWDANSA-N	538.984	5.590	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409017133	VCSVDYPMBHQVNE-OOWNWPBNSA-N	657.811	6.957	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1	409026398	OBWFDYGOUHKNHC-YBFXNURJSA-N	526.228	6.645	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	409027070	WNJRWRARYGDPGR-ATZGPIRCSA-N	629.497	5.496	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1Cl	409050793	ZTVUGWJMEIIGEW-BJMVGYQFSA-N	524.187	5.994	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccccc1	409057490	PFOXBCFANGGPKQ-XDHOZWIPSA-N	520.383	5.329	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)Cc2ccc(Cl)cc2Cl)cc1	409061521	DXOOGYDDABHGKL-KVSWJAHQSA-N	559.302	5.950	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409127944	RCCVZGWHUBWJSV-FABQOPTDSA-N	639.561	5.973	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1	409157823	WLNZWPZOLQZKMY-IURWMYGYSA-N	636.330	5.878	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4ccc(C(=O)O)cc4)c(OCC)c3)cc2c1	409188000	WFVZZXMKDNKSAO-MNDYBZJGSA-N	581.419	6.034	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409220749	FGBWZXXBPLHMJM-ZMGVVAQMSA-N	524.423	6.812	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12	409224790	MUAGJWXROVVBFT-HPCPBZBLSA-N	721.382	6.363	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1	409232335	NXNSPRIMZFHRHL-IWEBCOIVSA-N	530.249	7.119	50	40	KKGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccccc1Cl	409252784	TUSTXWBMDBDOAZ-OHUYPAJKSA-N	582.085	6.989	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5cccc(C)c5C)cc4)cc3)cs2)cc1	409256463	LKZQAHMSYKDBFF-KMUKQRDJSA-N	589.721	7.260	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409259671	CFTFPJPTXQZZTM-GIJQJNRQSA-N	636.852	7.392	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCCC)c(Br)c2)cc1OCC	409301365	FDTGUPPLLBACAZ-QFEZKATASA-N	542.268	5.952	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)ccc1OC	409317540	VEGOVDVJYCZVOJ-MUXKCCDJSA-N	531.378	5.347	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1OCC	409323198	ZHCIGJDBNAWTIC-QRQIAZFYSA-N	638.480	5.019	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1OC	409324769	VKXFIUVTOPTPAJ-PPDIBHTLSA-N	592.240	5.270	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)cc2c1	409336610	QJKXFMMLLHIVLL-BVMLUPFRSA-N	553.974	5.804	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(I)cc1	409368415	UPXKNTAJTAOMSG-WQRHYEAKSA-N	550.621	7.350	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1	409383901	OAYNDLBMXGBXKP-DEDYPNTBSA-N	523.477	7.693	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(N(C)C)cc3c2-c2ccccc2Cl)cc(OC)c1OC	409395760	RJSAYGFEIDBAMX-UHFFFAOYSA-N	627.097	6.563	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(C)=O	409396384	YBMXTPVAWNIWJL-UHFFFAOYSA-N	848.726	8.701	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	409397236	HSPSNVDRHYHSNZ-UHFFFAOYSA-N	612.007	8.643	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(OC)c4c3-c3ccccc3)cc2OC)ccc1OC(C)=O	409397662	MLHGJWFGFFPLIL-UHFFFAOYSA-N	637.645	5.778	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(OC)cc4c3-c3ccccc3Cl)cc2OC)c1	409398300	SHZOICLOKALTMS-UHFFFAOYSA-N	584.028	6.497	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc([N+](=O)[O-])cc3)o2)cc1	409400256	CHUHNCMCKNAXNP-DLCNMLRHSA-N	688.491	7.188	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(C(=O)O)cc4)c([N+](=O)[O-])c3)o2)cc1	409402986	LPGJATBMXQTLAB-HQDYHJHZSA-N	608.607	6.215	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(-c4cccnc4)c3C)o2)cc1	409410687	ZUSPHWZYMHLGLF-KYHGBAKBSA-N	507.594	5.833	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1	935022	OLDABUQTMXZXCX-UTDQILSNSA-N	512.418	5.638	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1	1770718	CMBDLEPYZFITQL-STBIYBPSSA-N	548.510	6.237	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccccc3Cl)cc2)sc2c1CCCC2	1785172	NEMWIVQLTJBGKW-NZEOBHLKSA-N	554.068	5.627	50	40	KKGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(CNc3ccc(Cl)cc3C)n2-c2ccccc2)c1O	2096817	IIYJMGCHGHXGHG-WCMJOSRZSA-N	547.084	5.518	50	40	KKGB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)c(OCc3ccccc3)c(Br)c1)C(C#N)=C(N)O2	2159885	WMUVSAHFKGHRHE-DEOSSOPVSA-N	592.291	6.503	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F	2330515	NUQLZWVXHGGWQI-QHCPKHFHSA-N	547.986	6.156	50	40	KKGB	
O=C(Nc1ccccc1)NN(C(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1	3457094	PEYVJTVBUBQIHA-UHFFFAOYSA-N	551.002	6.482	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3c(Cl)cc(Cl)cc3[C@@H]2[C@@H]1Cl	8435380	CSMRJTCQLDHWLF-VZQSUIEHSA-N	523.844	8.079	50	40	KKGB	
CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cccc(NC(=O)c3ccc(Br)o3)c2)c2ccccc2n1	8456198	FJUGIAJLGLOBQT-XZYGTATASA-N	597.469	7.062	50	40	KKGB	
CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(Br)ccc4OC)CC(=O)N3C2)cc1	9693551	GFNVWUGMLWITBD-GOSISDBHSA-N	500.418	5.076	50	40	KKGB	
CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C1\C(=O)N(Cc3cccc4ccccc34)c3ccccc31)CO2	18322827	KTYKDMJNNSFRCX-IZZGCQQOSA-N	519.601	5.344	50	40	KKGB	
COc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1	30735385	AFZDVEPPDFPLGA-YKQZZPSBSA-N	513.667	5.791	50	40	KKGB	
COC(=S)SSC(=S)NCCN(CCNC(=S)SSC(=S)OC)C(=S)SSC(=S)OC	49877588	ZPKMHMURAGCOSH-UHFFFAOYSA-N	650.117	5.260	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	59652275	YJGSUILEHLDDJT-XKJRVUDJSA-N	561.413	5.336	50	40	KKGB	
N#Cc1ccc([C@@H](Cl)[C@@H](Cl)c2cccc([C@@H](Cl)[C@H](Cl)c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	68563542	TYWNYRTWAKWVCN-UEQSERJNSA-N	564.212	7.766	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	100062303	HEMOKLHYUFQHSD-XODNFHPESA-N	536.253	6.806	50	40	KKGB	
COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2ccc(Br)cc2)c1	100326392	IRKHCESRANBEBX-KKMKTNMSSA-N	538.276	5.941	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1cccc2ccccc12	100935232	SXQDCZACFLYARO-FJEPWZHXSA-N	547.405	6.073	50	40	KKGB	
CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)CCl)[C@H](O)c1ccc([N+](=O)[O-])cc1	102092791	ULNFLTSOFITTNS-SHQCIBLASA-N	527.102	6.376	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	102808919	FEBIRYXZMDWHRF-SANMLTNESA-N	549.483	6.700	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1	103792457	SIHZBDNBZHUKRU-XFXZXTDPSA-N	538.648	7.155	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	105586091	RDKDPFAKGFLCAU-AWSUPERCSA-N	557.672	5.562	50	40	KKGB	
CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341698	XXDBLQYJAZZLTI-HNNXBMFYSA-N	706.356	11.255	50	40	KKGB	
Cc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C/c3ccccc3OCc3cccc(Br)c3)n2-c2ccccc2)cc1	150391568	SSHDVIWRDSHGJW-ACOLWUEWSA-N	655.622	7.160	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	150477521	AKIFSSUFGDMBAP-DPNNOFEESA-N	653.113	5.498	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(-c3cc(Br)ccc3Br)o2)c(C(=O)OCC)c1C	150603539	HBLWQRGNQOMTIB-GDNBJRDFSA-N	635.330	6.914	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	162500517	JLTRTSNEQIYSPC-ZSNJKBEMSA-N	629.060	6.347	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4cc(Br)c(O)c(Br)c4)c3C)sc3c2CCCC3)cc1	164600280	KKDDJENERHPWHI-ROPCREHHSA-N	684.454	7.590	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408527977	GYTIVHNMRHHDPT-RVDKCFQWSA-N	619.265	7.315	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Br	408540513	SRMBMUJONLWAOX-MNBJERMJSA-N	618.366	7.522	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408569951	RFKDTAULLFYWLV-FJEPWZHXSA-N	678.570	5.975	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc(Br)cc1	408580851	SCDMVDQWHSCMIN-HYARGMPZSA-N	519.236	8.008	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC	408581238	HUJRYFHJYYINIY-RGVLZGJSSA-N	537.410	5.865	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c(C)n1-c1cc(Cl)ccc1Cl	408589139	KSSHALLOCUDGSJ-KBKYJPHKSA-N	541.220	5.568	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1Cl	408599612	XKOSWYCQSZWVPO-GIJQJNRQSA-N	622.315	8.109	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)c(Cl)c1	408608227	GVJNLCPZGSCUGX-XODNFHPESA-N	500.382	5.287	50	40	KKGB	
O=C(NNc1cccc(OCc2ccc(Cl)cc2)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408611839	WXWSDDQJKACMBR-QGZVFWFLSA-N	514.807	5.178	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)c1	408642654	NQSJQPKJTFGDOX-POTDNYQPSA-N	732.809	5.730	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408649850	LPSNJPOGDIKRND-LGJOHJSGSA-N	828.135	6.993	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408663040	YCHXPHJCPHJKQY-AXAFYDDRSA-N	828.135	6.993	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1	408686971	NYQHPVCOVASMMW-RGCFKVTRSA-N	602.696	5.321	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCc1ccc(Cl)cc1	408710661	DBHKDKUCAZRTQC-UVHMKAGCSA-N	552.771	5.825	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl	408728559	OQIAYAJTYBRFHY-XKJRVUDJSA-N	580.262	6.155	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1F	408745093	JSQHXVHWIXQERC-YVLHZVERSA-N	515.766	6.375	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCc1ccccc1Cl	408757787	CBCVAMDDIRAQPF-NDENLUEZSA-N	586.711	7.718	50	40	KKGB	
CN(C)c1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1	408785031	XDXGZTFPAWFGIT-QNGOZBTKSA-N	516.428	7.337	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(I)c2)cc1	408789545	JZMUDQRLWNDXAN-HYARGMPZSA-N	522.386	6.287	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1	408792040	GXBPEORYCRPLGE-YBFXNURJSA-N	529.807	6.948	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc12	408796528	PFBJGDLJFNJZDP-LPYMAVHISA-N	572.415	7.034	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(F)c1	408797491	SCDYRFXLIAVUEE-CAOOACKPSA-N	573.318	5.472	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I	408798615	WGWJBVASQQBHHQ-WUXMJOGZSA-N	578.031	6.471	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1	408798800	WZMGTRFPWVGEHB-CAOOACKPSA-N	506.216	7.733	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2ccc(Cl)cc2Cl)c1	408810545	IZRJMCGWTAMCBJ-LZYBPNLTSA-N	522.215	7.433	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1	408813579	QSVCLMAAMALWNQ-LPYMAVHISA-N	535.438	6.598	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408830043	LEQQVDNTJZBTGV-FADJLKOXSA-N	623.562	6.598	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)c(OC)cc1Cl	408833528	RTFTUPMORIQCTI-CAOOACKPSA-N	575.818	6.392	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408845458	FMXXKRDNBNCGBC-XBQJKBNESA-N	585.505	8.128	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408852603	LUCGMFGQHSHPHJ-QJOMJCCJSA-N	552.096	5.988	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408855718	CSIITUOMRBGCTQ-MTDXEUNCSA-N	558.498	5.282	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408863428	OGQSCFBGVCAGOZ-FMFFXOCNSA-N	595.508	5.981	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1)S(C)(=O)=O	408873939	XOEMKIQGMZXTRI-WKULSOCRSA-N	624.941	5.005	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1cccc(F)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408877053	OYCSENJNGPWUKX-KOEQRZSOSA-N	541.420	7.304	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	408887320	NPFHMBUJDOGXAH-LFIBNONCSA-N	566.260	6.378	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc(I)c1	408889627	IAANMCNCHVFEHW-CPNJWEJPSA-N	623.244	6.972	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408892436	BIZUJXXCVGQBPJ-LDADJPATSA-N	512.971	5.066	50	40	KKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2Cl)cc1	408892467	ZTZPPQZDIIPTJT-RPPGKUMJSA-N	550.445	5.453	50	40	KKGB	
COc1c(I)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1I	408904226	GSPUMMLQFVQBIL-ZBKNUEDVSA-N	614.019	5.131	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408905044	SKOAVLYOJLGBMB-QDTIIGTASA-N	651.299	5.852	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)c(OC)c1	408921623	BBUMFVDWGIACRT-VIIJZLMMSA-N	745.627	6.309	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(I)cc1	408923794	KEHUWVSXCUBANL-QGOAFFKASA-N	559.201	6.178	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12	408955480	UOFNZAJTADHKQL-BKUYFWCQSA-N	545.393	5.683	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc(C)cc1	408967323	PXOTYIOJKTXJEX-IPPBACCNSA-N	510.363	5.510	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007277	NLJHELMKMFAGIY-PMHDSTOGSA-N	668.794	6.799	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl	409024596	FRGUKVIIQNCXEV-ZTCXCAHESA-N	565.095	5.845	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12	409024914	JFTWTFLWVIFXQB-RWPZCVJISA-N	528.417	5.198	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccc(F)cc1	409036096	KMYBAIMLKBOVLH-MWBNBJEGSA-N	601.103	8.088	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1ccc(Br)cc1	409040544	SPVUHUMUBUFBFK-HQDYHJHZSA-N	645.351	7.778	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409050788	ZSTFJFFVUNCFIZ-OHUYPAJKSA-N	611.452	6.924	50	40	KKGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccccc2)c(OCc2ccc(I)cc2)c1	409064572	PZATYWWOBKKYFQ-MTDXEUNCSA-N	541.433	5.409	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079122	JYUGXPKELKNETO-RIYZIHGNSA-N	643.743	7.218	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409079662	LPWPIJHKPVDFPP-CPNJWEJPSA-N	535.478	7.738	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409140945	FUYXJGAATOAMPQ-VWLOTQADSA-N	581.467	5.319	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409142322	KSWIQPDVGXFSIM-XZYGTATASA-N	684.167	5.308	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br	409148778	RPRREWVWIPARSE-OCSSWDANSA-N	691.389	5.807	50	40	KKGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	409153262	MJWQEKJGPYFSNI-WKULSOCRSA-N	563.279	6.594	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(F)cc2)cc1	409184965	IUIAELAGADXBAF-KBVAKVRCSA-N	597.510	5.650	50	40	KKGB	
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)o1	409189736	HYHNRIYPSKJEBE-MNDYBZJGSA-N	500.938	6.829	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCc1cccc(F)c1	409210566	LBAPHCGIZLJUSI-KKMKTNMSSA-N	537.838	6.072	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)c2)c1	409218281	FAHMDZILGKCYEM-UHFFFAOYSA-N	557.990	5.593	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc(F)c1	409218336	UFRLPSARWMPDHL-NVMNQCDNSA-N	530.293	5.990	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409218450	IXCWQORSPCGZIJ-LPYMAVHISA-N	503.986	5.288	50	40	KKGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1	409222537	DRNKNMWDPHVIGR-MXWXAVPPSA-N	528.746	5.393	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409226494	TWLNAGAAXNVZOK-CEBLLWLNSA-N	608.607	5.637	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c2)cc(OC)c1OC	409227927	XMZJTDZNDDKJGL-UHFFFAOYSA-N	780.253	7.780	50	40	KKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	409245836	ZSBQZFAJRHLSNY-FXMZOFOKSA-N	500.184	6.711	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl	409249397	HUPFDVZWEZQULZ-ZRGSRPPYSA-N	545.777	5.101	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(C)c1	409255622	MLGHADMZKIJDDV-SRZZPIQSSA-N	611.334	7.008	50	40	KKGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1	409259789	FJLXHDFCZJGRHD-UEAGUAMBSA-N	512.393	5.084	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409271188	KHJVZLUQXHDUPO-GZOMZLSJSA-N	759.670	8.264	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OC	409310742	BPPJQAHVDDCNAB-MUXKCCDJSA-N	532.380	6.042	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)ccc1OCc1ccccc1	409316549	ZGLVWZYNESPPQE-OHUYPAJKSA-N	549.454	7.314	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1OC	409319889	NGPSUXJWHCHJIQ-NUJZUDFISA-N	655.181	7.114	50	40	KKGB	
O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccc(Cl)cc1Cl	409368444	VYSVXVXCOINDHW-KKMKTNMSSA-N	548.211	6.365	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(F)cc1	409371664	JMHSYMQGDZCHJD-NVMNQCDNSA-N	530.293	5.990	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1)c1ccccc1	409394958	ICEONATXGJTEJH-UHFFFAOYSA-N	585.401	6.423	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1	409396959	DJJKTDIGTCEGKE-UHFFFAOYSA-N	592.833	6.836	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1	409397566	LIHISTRSYHSDCW-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccc2c(c1)OCO2	409398497	UAWPAUAHVBVQSU-UHFFFAOYSA-N	571.511	6.566	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OCC)c1OCC(=O)O	409399874	AAOHXGIPYDGPEJ-OHUYPAJKSA-N	571.630	5.621	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCc1ccccc1C#N	409400351	PABDLGQNTYGGDT-KOKCXWAISA-N	609.082	7.143	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)ccc1OC(C)=O	1870874	LXKQNPWFMXMVFJ-KCSSXMTESA-N	571.703	5.717	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)c2cncc(Br)c2)c1	3115362	NPQWSUXINSUQAQ-NSKAYECMSA-N	596.073	5.661	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(=O)c1cccc2ccccc12	3232304	DTONBCPRDAMADL-UDWIEESQSA-N	531.395	7.310	50	40	KKGB	
O=C(NN[C@@H]1CC(=O)N(c2cc(Cl)c(Cl)cc2Cl)C1=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	3330627	ZLPFASVHEMIUTN-JOCHJYFZSA-N	557.796	5.568	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)cc1	6600882	ANDMBGCVAGMUFX-UZWMFBFFSA-N	622.541	5.772	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C	9311851	HQKJSCWBDSQEEX-JFLMPSFJSA-N	524.108	8.069	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1	20347793	JPCZEUMBUQNXOG-AREMUKBSSA-N	514.676	6.072	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(Cl)c(Cl)c1	28217182	JDEZDSMCBNAFQR-IBBHUPRXSA-N	520.485	7.354	50	40	KKGB	
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	58917691	UCRQYGBKGICBQH-VYULFIFKSA-N	508.021	7.179	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	59197960	HTAJTXGJQXRNHT-FSJBWODESA-N	504.362	5.160	50	40	KKGB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2cccc(Br)c2)cc1	59856478	BUIOKSBYCRHQRO-NDZAJKAJSA-N	578.488	5.617	50	40	KKGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	97939470	NJDMJXGLTPFSOY-NTFVMDSBSA-N	526.449	5.882	50	40	KKGB	
O=C(NCCSSCCNC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1	97949817	TWNVQMCYZATZPB-UHFFFAOYSA-N	526.528	6.049	50	40	KKGB	
CC(C)CCN1C(=O)/C(=N\NC(=O)CCCCCCCC(=O)N/N=C2/C(=O)N(CCC(C)C)c3ccccc32)c2ccccc21	97959602	NUOHYOLZZNWGKY-UXVSRCLQSA-N	614.791	5.544	50	40	KKGB	
O=[N+]([O-])c1ccc(OC(F)F)c([C@H](NS(=O)(=O)c2ccc3ccccc3c2)P(=O)(c2ccccc2)c2ccccc2)c1	97983438	VKUXWPMVGIQMNM-GDLZYMKVSA-N	608.559	6.341	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	98000010	KUPJAJOVFNUACF-HHHXNRCGSA-N	573.516	6.464	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	98048527	NGKNWLNCJBFIDT-VWLOTQADSA-N	553.471	5.971	50	40	KKGB	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl	100049331	MBEHCKMOBZLHRB-PJTITMSOSA-N	597.071	5.555	50	40	KKGB	
COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@]4(C)CC(C#N)=C(O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2	100454164	IVZDMJHGZKCMBW-QZVWZJCESA-N	507.715	7.086	50	40	KKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1cccc(Br)c1	100852830	CYHOWGVDNZEPHB-RWPZCVJISA-N	541.858	5.434	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2Cl)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	103527249	YLCQKMNRGKMTDW-TZBSWOFLSA-N	612.482	6.599	50	40	KKGB	
N#CC1=C(SCC(=O)NCc2ccccc2)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	103527253	GLMGARYNSYHAJX-MVERNJQCSA-N	592.064	5.623	50	40	KKGB	
CCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528720	GOJUQGOVFNDGMG-OAQYLSRUSA-N	640.497	11.690	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	103796976	ROCDQGBSICAVAS-ALQBTCKLSA-N	541.482	7.931	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	105508890	JYJBSLLOBUWDSO-KVSWJAHQSA-N	601.122	7.260	50	40	KKGB	
CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341338	KXNZHYYOSMZKIM-QMMMGPOBSA-N	858.202	11.701	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342143	QRDAKDZKPPFHKO-REOHCLBHSA-N	692.016	8.387	50	40	KKGB	
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CN(CCCl)CCCl	150344556	VFBRDXSMQKKJLN-UEQKWVTMSA-N	662.699	5.962	50	40	KKGB	
Cc1ccccc1NC(=O)[C@H]1[C@@H](c2ccccc2I)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N[C@@]1(C)O	150407192	VGFWJBMPRZJZRL-HFASVGIHSA-N	717.427	6.119	50	40	KKGB	
CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CC/C(=N\OC(=O)/C=C6\SC(=O)NC6=O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1	245229003	LAPUCWPKWZCJAA-YRUXGUOESA-N	703.740	7.687	50	40	KKGB	
c1ccc([PH](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc([PH](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1	263612292	YACVWJYGHSWHQE-UHFFFAOYSA-N	678.796	8.057	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)ccc1OCc1ccccc1	408538944	RWNUNNOXQABJCX-MFKUBSTISA-N	555.030	7.061	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1Br	408540517	STFHFICAQPBBJD-FDVSRXAVSA-N	578.267	7.734	50	40	KKGB	
CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1	408540739	VQACXZKGIBTFKT-QXPFVDMISA-N	567.524	7.540	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)c1nc2ccc(F)cc2[nH]1	408567984	HJFSFBFAUYEVFM-SXGWCWSVSA-N	513.285	6.089	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCC	408570461	VJWUNAPHOOCAAM-ZMOGYAJESA-N	525.490	5.254	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	408583084	RLDDZRVKGIFCBS-XDHOZWIPSA-N	588.829	6.434	50	40	KKGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1	408606795	QCNIURFMSPGDGZ-FQEVSTJZSA-N	501.534	5.219	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)cc1	408609877	LVTRAUGAAJPXJC-WKULSOCRSA-N	530.408	5.459	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1ccc(N2CCCC2)cc1	408678516	ZVHZAOLWKPWDIV-ZCTHSVRISA-N	528.450	6.545	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)cc1	408745421	RZKNZEUJUFQPMD-WQRHYEAKSA-N	529.793	6.765	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(I)c2)c1	408745609	UDRYZYDFHMXMSQ-UNOMPAQXSA-N	573.228	6.487	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)cc1	408747521	PCLGLTSTECCJNT-MOSHPQCFSA-N	521.367	5.671	50	40	KKGB	
N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)Nc1ccc(Br)cc1	408747649	QZLGKVBCROSFLX-AQTBWJFISA-N	501.340	5.906	50	40	KKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4cc(C)cc(C)c4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751414	OFVSSPGHDDXARE-XSUWXQHISA-N	525.718	6.912	50	40	KKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1cccc(C(F)(F)F)c1	408767633	NECMZZUIVYXMOZ-NVNXTCNLSA-N	512.793	8.142	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1c(Cl)cccc1Cl	408768563	HCONLVUGJVSLHK-YBEGLDIGSA-N	580.693	7.933	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1	408775934	XBGPYUNBFXGHKF-ZDLGFXPLSA-N	558.759	5.767	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1ccc(I)cc1	408792094	HSUPKTJSRPZPMP-FYJGNVAPSA-N	678.308	6.982	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408796660	YSODFEKFPOATHU-VIZOYTHASA-N	571.085	8.187	50	40	KKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408800549	POACQOWKHGCBSA-XDHOZWIPSA-N	556.254	6.653	50	40	KKGB	
C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1)c1ccccc1	408801693	WYBWKVSDRRXNSE-SXZORUHJSA-N	504.384	5.251	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1	408816284	JFYJYKJXCCEHRG-QHDYCIAZSA-N	514.673	7.748	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Br)c1OC(C)C	408824179	QAICZFWEXHCMRR-OEAKJJBVSA-N	549.465	7.068	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408834596	USEPCRPNVPQQNH-LPYMAVHISA-N	626.309	8.599	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Br)c1OCc1ccc(C)c(C)c1	408834740	LSBUUOSWXZSXLJ-VULFUBBASA-N	680.426	9.475	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2cccc(Br)c2)cc1	408844971	XIXZJBSTDWHDSV-KBVAKVRCSA-N	658.416	6.273	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5cccc6ccccc56)c4C)cc3)cs2)cc1	408848866	WQCRREDAISCWBM-JEPNHJGPSA-N	555.707	8.187	50	40	KKGB	
COc1cc(I)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1OC	408852170	JAIQNIMPYHTXCF-RHANQZHGSA-N	565.411	5.838	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2	408853313	RAXKINBHYJYMMR-CLHYIUPASA-N	608.094	7.576	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cc2cc(Br)ccc2o1	408856513	KMNXGADDMKUUOA-BCHBDCPOSA-N	563.191	6.753	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408857392	UVPGRCSNZFXBNA-MUXKCCDJSA-N	537.366	5.635	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408857619	VKZMHGXJRMSNQX-NVJOKUIPSA-N	548.220	6.854	50	40	KKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1	408867278	KDRVCANHXBTYFW-NTORBMEISA-N	648.710	6.405	50	40	KKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408870925	XXINYXKLLZYCED-RQZCQDPDSA-N	504.186	7.031	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(I)cc1	408878543	AJGVNQQIJVMJFM-GZTJUZNOSA-N	593.646	6.832	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1	408878919	DBERUGAVCABCEL-XODNFHPESA-N	574.884	6.464	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(I)c1OC(=O)c1ccccc1	408880528	IDHZYUJYLUIZEN-GZTJUZNOSA-N	650.210	5.669	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OC(=O)c1ccccc1	408881791	MDQYGIYJWCSYRL-CXUHLZMHSA-N	556.756	5.784	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408883739	UPHDPOQUYKZWJW-MZJWZYIUSA-N	560.053	5.198	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OC(=O)c1cccc2ccccc12	408886822	MLLCBZOHDWVYPR-HNSNBQBZSA-N	567.439	7.137	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(I)c1OCc1ccccc1Cl	408896010	OUHMMKXMTCCVMD-XODNFHPESA-N	621.884	6.306	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(Br)c1OCc1cccc2ccccc12	408926855	ZNOVZOVHVHENNB-XESRJCMYSA-N	731.600	5.919	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)c(OC)c1	408950173	GNMGJKBIONRHOS-SXWOMVPGSA-N	671.534	5.310	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCc2ccccc2)c(OCC)c1	408951523	ULXWXFKUZLBSSX-GDLZYMKVSA-N	728.609	5.154	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccc(F)cc3)ccc3ccccc23)c(OC)c1	408954061	MWOOYTCLFBGIIS-LUZLDADYSA-N	640.668	5.287	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408962373	HVPQCULMYKAESJ-KNBZMSCYSA-N	531.745	7.017	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccc(I)cc1	408963221	AYPXTMPBAFIEDO-XODNFHPESA-N	664.250	6.450	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1cccc(C(F)(F)F)c1	408964746	RVXHKUHTFPNAJQ-IBBHUPRXSA-N	574.340	6.806	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCCOCCOc1ccc(C)cc1	408973171	ZMJLCVDFPKNESL-JJIBRWJFSA-N	535.040	6.376	50	40	KKGB	
COc1cc(OC)c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	408974104	XEUYWWIOEKKWFB-WVMIMECUSA-N	623.331	5.418	50	40	KKGB	
N#CC1=C(N)n2c(s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2=O)=C(C#N)[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408976209	PRZIWEXAKSISQX-WAHPELNISA-N	732.476	7.633	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1	408977790	FQLMSRYCEHKDKO-VURDCNJBSA-N	568.070	5.488	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Br)cc1	409002753	PTBYEFNZHUUPKI-KCTSWOMUSA-N	841.360	6.834	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	409003161	RIYAXUIINSWZEL-OCSSWDANSA-N	587.386	5.593	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1	409012529	IPWRSCSMTFCUSM-KSVFZKRBSA-N	588.488	5.879	50	40	KKGB	
O=C(O)COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1Br	409014824	PXZNCHYYXYOCML-TXNBCWFRSA-N	700.903	5.552	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	409020152	ZOTFNVDWZXGNPA-MOFCHLBVSA-N	595.321	6.464	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1	409028405	NKSPMUDLIWGHSQ-QXUDOOCXSA-N	606.144	6.356	50	40	KKGB	
O=C(N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409029738	AUVIHPYPARAKQH-DLCNMLRHSA-N	788.221	8.216	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccc(F)cc1	409032396	IWYNSOWZXSABCM-ALQBTCKLSA-N	566.658	7.434	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)c(C)c1	409056670	NEXLWNYBESUSKG-YDZHTSKRSA-N	501.413	7.888	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1	409060250	YRNUCJTYUCQDMO-GIJQJNRQSA-N	560.673	7.298	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409062403	TYYFCZGCPKUEIA-OCSSWDANSA-N	578.518	5.522	50	40	KKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O	409081258	NGJJZDSIXDXZGE-OHUYPAJKSA-N	505.618	5.478	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409082822	TYXBIGIFUKZRCH-OQLLNIDSSA-N	526.864	6.032	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409089891	KXGHLRCSYCAGRZ-AWNIVKPZSA-N	679.165	8.495	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	409128331	DOIYKGQBAKIUBW-HSZRJFAPSA-N	562.247	6.657	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c2ccccc2)cc1OC	409133732	RCEPBRWPOWOYBG-FADJLKOXSA-N	609.704	5.782	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409141049	TXOQQCFZRGEQLU-NDZAJKAJSA-N	574.099	5.272	50	40	KKGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)cc1	409159370	ZMHWHPFJYPDRIY-XAZZYMPDSA-N	652.329	5.660	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccccc1Cl	409159801	UYVZVNJXTYJOQE-PNQUVVCRSA-N	689.721	5.756	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2cccc(C(F)(F)F)c2)cc1	409184920	INKMNROAPDQEII-BBUXEPKYSA-N	631.676	7.092	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2I)cc1	409222696	DBKNBRPCJUFIRL-CSMVZQPBSA-N	522.386	5.963	50	40	KKGB	
COc1cc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c2)cc(OC)c1OC	409224502	LYTMEUFPWFNMMZ-UHFFFAOYSA-N	622.461	6.255	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccco2)c1	409224887	NQMGQPSNQUASHL-UHFFFAOYSA-N	680.136	7.347	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1	409233769	WZVDYHXTDWQVLC-HAHDFKILSA-N	553.884	6.736	50	40	KKGB	
CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	409250042	MDKNHIFSURGWHY-ZYTDBRAZSA-N	504.368	5.261	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409255528	HSFAQEGZJVPWAM-YDZHTSKRSA-N	609.464	5.548	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409259861	GSUMDZSCVQPKNN-CDLBOOTPSA-N	733.088	8.767	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1	409263687	MDSOXINWOXOPEM-ZDLGFXPLSA-N	584.854	5.991	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409264343	OYBFAGGEMJIMRT-ADJDCTSUSA-N	766.061	8.219	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)ccc1OC	409304450	QTNJGLFDBWXEBN-MBTHVWNTSA-N	527.415	5.516	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	409311659	GXSZXJYJOQMXRP-ACXHZZMFSA-N	556.446	6.047	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)ccc1OCc1ccccc1	409318738	XRXGSFSQAYPSJL-GTWSWNCMSA-N	544.629	5.504	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OCC	409326290	JKEJCOOCUMZCGI-MWLSYYOVSA-N	509.990	5.227	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	409363205	KFMWSLDSKONUFW-IZYHBKOJSA-N	644.128	7.526	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OC(C)C	409374138	YXDIVNUNDJLQDU-VULFUBBASA-N	532.378	5.403	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(O)cc1	409377553	IHNWRMYLPRVSTC-NVMNQCDNSA-N	508.759	5.804	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	409397065	FTZGYVNBDDLVDR-UHFFFAOYSA-N	576.411	7.273	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397912	PKKOMMBFWSXOKR-UHFFFAOYSA-N	619.415	6.414	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409398139	RCZIZZCKIRPQAA-UHFFFAOYSA-N	555.993	7.009	50	40	KKGB	
C#CCOc1c(OCC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-]	409400701	FDUOGSUFJWRQPZ-MNBJERMJSA-N	556.575	5.349	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)o2)cc1	409403936	OQZZUZXMFIYQGU-KMUKQRDJSA-N	587.636	6.941	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCc4ccc(C(=O)O)cc4)c3)o2)cc1	409404149	OXUQBIFLUVOMMA-FZKWRIDDSA-N	563.610	6.307	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(C)cc1	409407461	ZVMLCZYGELRISU-AEVGBRMKSA-N	676.995	8.342	50	40	KKGB	
CCCCCCCCCCCCC/C=C/C[C@@H](CO)NC(=O)[C@]1(N)C=C2C=c3ccccc3=C2C=C1O[Si](C)(C)C(C)(C)C	1570003493	QQEAGYFPUNCDGK-BZIJCFETSA-N	620.995	7.299	50	40	KKGB	
CC(C)N1c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c1cccc2P(c1ccccc1)c1ccccc1	1857794337	HLJAGGBNLUHSFY-UHFFFAOYSA-N	593.647	7.855	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(F)cc1	661054	DSBQDXXOMKYODK-JOCHJYFZSA-N	560.363	5.223	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1873117	NXJQWCPJIXKRHB-WCMJOSRZSA-N	552.531	7.089	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)nc3sc4c(c3c2=O)CCCC4)cc1	1874455	YEHCQMOWJORTNM-VFLNYLIXSA-N	557.528	6.184	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)n2-c2ccc(Cl)cc2)cc1	1884525	ZNHKPDXBFACLPK-HNSNBQBZSA-N	568.102	6.718	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Sc1nnc(CNc2ccccc2C)n1-c1ccccc1	2098093	MIVMNLALIYSONE-ZOJKJTATSA-N	579.524	5.590	50	40	KKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2ccccc2Br)cc1	2166599	UNMZSLZNAKEGSB-FDAWAROLSA-N	522.402	6.772	50	40	KKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	2238185	PCGMZCLUVBLMAA-CPUZRTFYSA-N	522.457	6.675	50	40	KKGB	
N#C/C(C(=O)N1CCCCCC1)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	2366951	RRFHAMTYWUFDND-ARCUFYBBSA-N	500.451	5.822	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccc(Br)s1	2706061	CCDQGBSDUZDGAK-BHGWPJFGSA-N	578.311	5.215	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1OC	3281901	GTBBKKJQVZJSOV-BIZUNTBRSA-N	519.605	5.728	50	40	KKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)c1C	4062766	WSIZIHHYVHQOBT-FDAWAROLSA-N	505.647	7.034	50	40	KKGB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1	4214173	HFVNWDWLWUCIHC-GUPDPFMOSA-N	646.652	5.415	50	40	KKGB	biogenic,investigational
CCCc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)C(C)(C)C)c3)c3ccccc3n2)cc1	8454708	MHCWCUMXUDOHLA-XICOUIIWSA-N	506.650	6.993	50	40	KKGB	
Cc1ccc(C(C)C)c(OCC(=O)NN=C2CCC(=NNC(=O)COc3cc(C)ccc3C(C)C)CC2)c1	13533965	WXKKPSNVLYZLQT-UHFFFAOYSA-N	520.674	5.526	50	40	KKGB	
COc1cc(/C=N\NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)ccc1OCc1c(Cl)cccc1Cl	32703891	KGRSOMYWAXKENA-CQNMTIKWSA-N	521.828	6.460	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@H]1c1cccc(OCc2ccccc2)c1	53290818	KRPBGDCDQSREIV-MUUNZHRXSA-N	566.683	5.820	50	40	KKGB	
c1ccc([P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)s2)(c2ccccc2)c2ccccc2)cc1	73387776	KAJIDQWTAWLOQG-UHFFFAOYSA-N	634.765	8.736	50	40	KKGB	
COc1ccc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N	97944465	AJAQKWMFKZGIDZ-OQFKDHDLSA-N	562.686	7.052	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1	97958919	OROUXOANKLLEMD-IBBHUPRXSA-N	595.494	5.188	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc2ccccc12	97960689	JYDQJKQCTHWKQW-FYJGNVAPSA-N	643.308	8.275	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	100062195	LWKXOUFHEUPGGE-RPPGKUMJSA-N	581.102	6.625	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3cccc(Br)c3)c2C)c1	100100629	KIQVMBSKJHKAFW-KKMKTNMSSA-N	563.359	6.619	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100124156	USFZQFHWKKIKCR-ATZGPIRCSA-N	589.039	6.112	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	100343800	ZQEKHKDBFXOMQW-FDAWAROLSA-N	565.095	5.410	50	40	KKGB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C\c3cn(-c4ccccc4)nc3-c3cccnc3)c2C)c1	102941629	RIFBEJISOOHYCV-YSMPRRRNSA-N	585.620	5.705	50	40	KKGB	
CCCCCCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	102970646	LEFMLFWPQYJPFK-HIXSDJFHSA-N	500.605	8.551	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N)cc(I)c1OCc1ccc(Cl)cc1Cl	112246784	OHOWNFKIAKNINU-LUOAPIJWSA-N	570.214	5.532	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1	150363954	QNGNBGFYYCTIFK-BVMLUPFRSA-N	644.493	5.283	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1	150422844	HTXAETAYAHORCC-WQRHYEAKSA-N	637.699	7.230	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc(I)c1OCc1ccccc1Cl	163906403	BMBDIIOYHCKDER-IURWMYGYSA-N	648.885	5.173	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1	197822464	JXWUTYDQPLUAJI-ALQBTCKLSA-N	642.561	6.325	50	40	KKGB	
C[C@H](CCC(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	245241566	JBHLEOSHZKKTQZ-UAPHWNQSSA-N	693.521	6.391	50	40	KKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C	253499360	FOKBFEZNNMIQGR-FOMZMZOFSA-N	505.227	9.491	50	40	KKGB	biogenic
COc1cc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2OC)ccc1OCc1ccccc1	408538473	NLJPMCMMVQJBCE-BKPOFFDFSA-N	784.132	9.909	50	40	KKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC	408538969	SERIJRMGHXXVFX-XSVYLIDLSA-N	570.759	8.456	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1Cl	408601277	ARDFRWDEAYPMEL-IPBVOBEMSA-N	525.219	6.276	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5[C@H]6C[C@@H]([C@H](Br)[C@@H]6Br)[C@@H]5C4=O)c(C)c3)CC2=O)cc1Cl	408641197	LBLXNTAUJMTNLK-JNZMPGDCSA-N	664.778	5.198	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1	408681531	FMXFFTOJHRGUJV-RGCFKVTRSA-N	602.696	5.321	50	40	KKGB	
O=C(Nc1ccc(Oc2ccccc2-c2ccccc2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408687741	UULRMYGQQSSBDG-NGEJOHNYSA-N	504.380	5.655	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1cccc(Br)c1	408691567	FJIDDKVMGBHVGY-BRJLIKDPSA-N	504.226	5.181	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)c(Br)c1O	408751662	BFZPLUCPRNFFSE-YHYXMXQVSA-N	530.998	5.234	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCC(=O)OCC	408762625	FIEKPSGBEKVDTJ-YVLHZVERSA-N	548.231	5.428	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(I)cc1	408763646	GGUONYCVXQWEBO-MFOYZWKCSA-N	623.672	6.840	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408764145	RZYXDPUMCPXDLO-LDADJPATSA-N	667.319	6.074	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccccc1	408764212	SKEWKSJTUBZGGS-UVHMKAGCSA-N	569.226	6.340	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2cc(C)cc(C)c2)cc1	408777747	HQSNCHZLFVBMAB-MZJWZYIUSA-N	504.439	5.264	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c(C)c1	408789121	OCFDIKUWXOJRLN-VXLYETTFSA-N	574.700	7.607	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1	408789999	TWDOLSXPOIBBCH-VCHYOVAHSA-N	508.328	5.491	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408791777	CGYQYKNNCLYTPV-RQZCQDPDSA-N	580.693	7.933	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)c(C)c1	408793803	GHESTNNGKQIDHI-KEBDBYFISA-N	584.264	6.651	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(Cl)cc1	408794092	RHZQYLMZCIUTML-UDWIEESQSA-N	525.830	6.934	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC	408796284	OPDQBQWEGDADHE-XNTDXEJSSA-N	508.743	5.454	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cccc(Cl)c1	408808276	FICPPKODQIZTJM-VCHYOVAHSA-N	527.802	6.331	50	40	KKGB	
O=C(O)c1ccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1	408814819	HUMAQGJOAMIQJV-PPDIBHTLSA-N	619.209	5.841	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408822266	LJZKWZQSYUPLLY-HZHRSRAPSA-N	547.413	7.836	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1)S(=O)(=O)c1ccccc1	408830013	MTZNTCFNKLEQSL-KBVAKVRCSA-N	597.480	6.369	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1	408832376	RYZAADOHWFAOJH-JOXMEQDKSA-N	790.147	6.981	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(I)c1OCC	408832703	IIXOHASDQUUFSR-YBFXNURJSA-N	637.301	7.520	50	40	KKGB	
O=C(Cc1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408838027	BKLMRSFCXVWDCR-DPNNOFEESA-N	613.051	6.627	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408839167	ODKLGLLDUHTZCH-YLYVUXRMSA-N	686.448	9.909	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	408840117	BFJVVXCSUKCKJD-JJKQSNDFSA-N	668.333	7.702	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1cc2ccccc2o1	408857176	LHVBFAMSELXOCT-PPDIBHTLSA-N	609.645	6.796	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c2ccc(C)cc2)cc1	408863877	ROLLBYSXQOKDAG-IZYHBKOJSA-N	735.484	7.396	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1	408865109	BAVKFJJFOCUDTF-LPYMAVHISA-N	519.439	6.610	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1	408868559	OXFOZOOODKENQO-UFWORHAWSA-N	653.300	6.426	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc(Br)c1OCc1ccc(C)cc1	408870323	UJIMKJXRDADNFL-HPNXWYHWSA-N	627.583	6.431	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cccc(I)c1	408878307	ABRRBKXZJJJUAS-KBKYJPHKSA-N	559.618	6.594	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cc(C)cc(C)c1	408879062	FCJAGSSWDICWKV-DJKKODMXSA-N	515.824	7.397	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2F)c(OC)c1	408879113	FNIXAWXTISNXAK-RQZCQDPDSA-N	556.344	5.638	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1	408890715	YAXSTWDRXBJGKD-LFIBNONCSA-N	517.788	5.416	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408890720	YDHFRFAZKKRRQQ-JEPNHJGPSA-N	629.219	7.198	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCc1ccccc1F	408899489	PTKFNTZHALISLA-VCHYOVAHSA-N	529.793	6.683	50	40	KKGB	
CC[C@@H](C)Oc1cc(Br)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	408913603	VQRGPDRIMOLQMQ-OQIQZUQJSA-N	511.416	5.021	50	40	KKGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2OC)cc1	408922749	GISWCOIXNBVMCZ-LFIBNONCSA-N	533.389	5.324	50	40	KKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cccc(I)c1	408924161	LQORLPMJZHPTOQ-JJIBRWJFSA-N	580.425	7.722	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cccc(C(F)(F)F)c1	408961667	DECMSSPZTXKBSI-KKMKTNMSSA-N	569.277	5.561	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408961775	DYAMPZNQSGLENR-VVEOGCPPSA-N	511.327	6.754	50	40	KKGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(Cl)cc2)c1	408969836	VINUJTFARCMKMX-IPPBACCNSA-N	523.964	5.008	50	40	KKGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408982834	ZIYKVUQVNMNLJZ-ZYVHIHPKSA-N	544.627	5.389	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1Cl	408985705	XVVARWQCIHXDJS-IDUWFGFVSA-N	699.670	6.891	50	40	KKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1	409000376	SVBPYCCOWNUJGW-VVEOGCPPSA-N	707.262	5.250	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2	409002357	NJDVJOVUCNBBPD-VIMSVTEUSA-N	551.599	5.014	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1	409010570	CDJSQDDPHHZZHW-LUFOQCCLSA-N	618.315	5.303	50	40	KKGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OCC	409016056	UGGMBKTUGMJFQO-NSKAYECMSA-N	649.663	5.558	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409029210	ZTSMXQFJMFGBBR-FABQOPTDSA-N	659.592	6.162	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	409072139	IQWGUQYJQDJSOF-RVDMUPIBSA-N	507.782	5.960	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409136739	VASCVQQKGMJHLY-FQEVSTJZSA-N	669.213	5.198	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cc(Br)ccc1O	409143769	HMNPFPWXXHIMTE-WYMPLXKRSA-N	504.178	5.260	50	40	KKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)c1	409185313	WTCGHFWFVYESSA-OKCVXOCRSA-N	581.308	6.962	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Br)cc1	409195869	WQFDGMUMTKXUGB-RPPGKUMJSA-N	508.199	6.107	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	409217719	AKCSIHCMUSBUDX-UHFFFAOYSA-N	619.552	6.068	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409227343	XUMZMNKDLGKWPH-FYJGNVAPSA-N	592.446	5.506	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1	409247459	CILSINUVLIDXTB-KMUKQRDJSA-N	630.539	6.825	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3C)c(OCC)c2)cc1	409258987	WJVBOQXUJIGPSQ-HYARGMPZSA-N	639.490	6.269	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)cc1Cl	409267384	UIDXEPZBXILUNJ-NVMNQCDNSA-N	617.725	7.045	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409268452	ZXGQPJAEBNDZND-PPDIBHTLSA-N	531.352	5.000	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br	409269019	CWTQFCGVGPIOKH-ZRGSRPPYSA-N	590.228	5.210	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1OC	409323586	OOSKXCHQDAOIBO-MBTHVWNTSA-N	576.285	6.352	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C)cc2)ccc1OCc1ccccc1	409326996	PSOHNQJCANHLQW-APTWKGOFSA-N	529.036	6.969	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl	409345587	JPZGSOBHJAVKNO-PNQUVVCRSA-N	677.164	6.900	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OCc1ccc(Cl)cc1	409361376	HBJVXNZOSPLSCD-DHRITJCHSA-N	590.936	5.959	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409372952	OGLORVAQAMTLIK-MZFJOGFUSA-N	510.638	6.163	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409373212	OQFJDQOKYMQKEB-VTNSRFBWSA-N	637.474	5.942	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1nc2ccccc2[nH]1	409383829	JWGNWXCUHHNADC-SXGWCWSVSA-N	648.198	6.323	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1F)c1cc2cc([N+](=O)[O-])ccc2s1	409385287	JADPWQWFDULHOB-RPPGKUMJSA-N	528.359	6.054	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCc1ccccc1	409390920	GGHNRDYZAGRPKV-ODLFYWEKSA-N	551.384	6.218	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1Cl)c1ccco1	409394854	GTHGKMOIZVZJIE-UHFFFAOYSA-N	630.804	7.846	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1	409395234	LINZYWIXOSCHKX-UHFFFAOYSA-N	665.313	7.491	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)cc1	409395597	POXZOAUGGYJWHN-UHFFFAOYSA-N	665.313	7.491	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(C)cc4c3-c3ccccc3Cl)cc2OCC)cc1OCC	409396612	YWHJWDVHBDGDOX-UHFFFAOYSA-N	640.136	7.976	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397066	FULZYRYUFPHSTF-UHFFFAOYSA-N	693.881	6.813	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409397341	IVZIOCZDOJIGNG-UHFFFAOYSA-N	588.414	6.191	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1O[C@H](C)CC	409403151	LYEHAAZQEACRJW-UDDRSKGWSA-N	555.675	6.944	50	40	KKGB	
COc1ccccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2ccc(Cl)cc2Cl)n1-c1ccccc1	2098125	NBWUGBQAOIBIDW-ZTCTXGLISA-N	555.491	5.826	50	40	KKGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)OCc3ccccc3)=C(C)N2)cc1	2202338	MBSJJDOENMOSGD-SANMLTNESA-N	515.591	5.099	50	40	KKGB	
CC1CCN(C(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)CC1	2280295	WUVWXBHZCXYDQG-XKCZREFCSA-N	500.451	5.678	50	40	KKGB	
COc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Br)cc1Cl	2801633	CUSLXIGCUBZMSO-CJFMBICVSA-N	549.856	6.284	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	3143623	MPUTUVPZRUTPKH-QRGYCXFASA-N	505.530	5.270	50	40	KKGB	
COc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Br)cc1	4196312	IFQGDSIDUAUXLQ-GIJQJNRQSA-N	533.647	7.517	50	40	KKGB	
COc1cc(C(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)ccc1I	4209713	RBMZDGLMUOQRRR-UVHMKAGCSA-N	558.445	5.283	50	40	KKGB	
CCO/C=N/C1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	5846527	VOXLHSVVVNMELG-MVAKIDQKSA-N	506.562	5.881	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)[C@H](C)Sc2nnc(CNc3ccc(C)cc3)n2-c2ccccc2)c(OC)c1	8396777	PJALDTLYUXNAJS-HBEUGLDDSA-N	544.681	5.226	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3ccccc3Br)Nc3ccc(Cl)cc3[C@H]2[C@H]1Cl	8440879	RBCMVAUBLNSVGY-HQFBCKHPSA-N	550.305	8.049	50	40	KKGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21	9948626	OAKDRKPOYCJSLP-GKPLWNPISA-N	504.373	5.593	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1cccc(Cl)c1Cl	19825998	PKCCUDHMCPKHNI-PPDIBHTLSA-N	503.842	6.287	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1	20347906	QIEYIGWDHXCYTI-NDEPHWFRSA-N	524.646	5.710	50	40	KKGB	
O=C(NN/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)c1sc2ccccc2c1Cl	33014795	LZHFEVZAHJJWRQ-GHRIWEEISA-N	508.386	5.671	50	40	KKGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1	50860308	UUWHQHGTGJDAPQ-OKCVXOCRSA-N	529.069	5.783	50	40	KKGB	
O=c1c2c3c(sc2[n+]2c(n1-c1ccccc1)SC[C@H](Br)[C@H]2c1ccccc1)CCCC3	54362772	JPUSDFVRBWLVJH-SIKLNZKXSA-N	510.502	5.677	50	40	KKGB	
c1ccc([P+](CCSCCSCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	82185762	URKFRBDRVKAJMV-UHFFFAOYSA-N	672.880	8.441	50	40	KKGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1ccc(Br)cc1	97944471	INZBLDRXMNTSMB-CICSQNLLSA-N	527.492	5.168	50	40	KKGB	
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(C)c1	97946730	AKCHCINAHVHOGY-FXBPSFAMSA-N	563.683	5.997	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)cc(Br)c1O	97960466	XAOHDKLOSHLMHI-OFASFRANSA-N	613.940	5.974	50	40	KKGB	
CN1/C(=C\P(=Nc2ccc(Br)cc2)(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21	97983608	NOHJXMQBBNTFIE-IADYIPOJSA-N	527.446	8.202	50	40	KKGB	
N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccccc1)c1ccccc12	98008181	ZBGYAVLLNLINSV-UUWRZZSWSA-N	540.598	6.331	50	40	KKGB	
CCn1c2ccccc2c2cc(NC(=O)C[C@H](C)CC(=O)NNC(=O)c3ccc(Br)cc3)ccc21	98045478	FIKUWJUJJGDNQM-KRWDZBQOSA-N	535.442	5.393	50	40	KKGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccco1	98048590	XZLQGPALVRRTLL-AREMUKBSSA-N	530.625	5.996	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	100240364	KDPAIKJVKUXPNR-MZJWZYIUSA-N	540.856	5.391	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl	100336307	FUEFMTCTNXHINN-NVMNQCDNSA-N	546.248	7.198	50	40	KKGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	100380926	IUNHKXRJJXOJIY-CCVNUDIWSA-N	542.004	5.426	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1	100925387	RKEREHWXUBQHMR-GOHCDNDPSA-N	522.457	6.045	50	40	KKGB	
N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1	100990869	PFUDHNQDTVVLHR-YDYXIROLSA-N	536.426	5.331	50	40	KKGB	
CCc1ccc(/C(C)=N/NC(=O)COc2c(Br)cc(C(C)(C)CC(C)(C)C)cc2Br)cc1	101000973	PMUFREJZVNWKKG-STBIYBPSSA-N	566.378	7.407	50	40	KKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C(F)(F)F	102262575	ZPINXXZFTYQOCR-LGMDPLHJSA-N	515.285	6.233	50	40	KKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1	102666578	JONJLTJNRGECMC-YVTZQMTFSA-N	550.511	7.401	50	40	KKGB	
Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)nc2ccccc21	102686995	GAFYTNCPGCMSRK-XIEYBQDHSA-N	525.587	7.208	50	40	KKGB	
O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	103873569	FFHGMGCHVSXYAG-XBQJKBNESA-N	541.054	8.019	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)c(C(=O)OCC)c1C	105311286	FREUTAWOIFXYHG-PXLXIMEGSA-N	540.641	6.132	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC	408539730	YIVHKTFZOHJKFR-ZHZULCJRSA-N	544.446	7.041	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OCC	408541267	YRNVLUCFXUXJPV-MYYYXRDXSA-N	526.269	6.333	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1I	408566073	DFDHZFRKRZAZNU-SDQBBNPISA-N	571.131	5.540	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCc1ccc(I)cc1	408566633	ATKYNUYVBYRUCY-IPPBACCNSA-N	746.430	6.491	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	408567048	KPLFHBXESQRQAE-MSXFZWOLSA-N	533.176	5.463	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1	408583910	YQOIGKACLQWSKR-VCHYOVAHSA-N	517.192	7.002	50	40	KKGB	
CCOc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCc3c(Cl)cccc3Cl)CC2=O)cc1	408602541	DQDNLYNFYVJWBO-QGZVFWFLSA-N	544.435	5.476	50	40	KKGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1)c1ccccc1	408610625	OPSIOCDDZKZTNW-JBCPZZPVSA-N	532.797	5.148	50	40	KKGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Br)c3)CC2=O)cc1	408611327	VWCHTXKDNIBFNM-SFHVURJKSA-N	528.834	5.486	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1	408637482	KYSLERNGEBWSSW-SKCUWOTOSA-N	562.449	7.062	50	40	KKGB	
O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccc(Br)cc1	408646308	ATYVECQSBQBFQL-FZFHUJAASA-N	655.376	5.364	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCc1ccc(C)cc1	408676068	DLVSFOTUUWYDSO-UXHLAJHPSA-N	536.470	6.099	50	40	KKGB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	408686288	RIBVMNBKJLRZIE-YRYYUTHUSA-N	645.573	5.438	50	40	KKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1	408741666	RLCWWZLCILIIOS-AUGOTPMTSA-N	534.663	7.983	50	40	KKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741690	KPAIITVBHVRISQ-HPNXWYHWSA-N	587.035	8.397	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	408746847	WQDJBBXVRKZXRH-QPEQYQDCSA-N	542.611	5.353	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1	408747039	YFQFXSUIWSETQK-YVLHZVERSA-N	560.217	6.484	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1	408747128	ZWEPNEAKDQFEAZ-PXNMLYILSA-N	658.117	7.494	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408748739	BYYHEGHYZSPSQQ-ATZGPIRCSA-N	569.872	6.621	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408760895	APSTXIUXSZCELF-RGEXLXHISA-N	541.423	5.470	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408784412	BPIOJEUSAQTWKM-UNOMPAQXSA-N	592.395	7.555	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408794098	HWASUJCFDPPHJI-SRZZPIQSSA-N	505.958	6.388	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794110	HNWWQSVUCWBHGM-LFVJCYFKSA-N	539.975	6.952	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccccc1C#N	408794935	KNJMUZYKXJPRRC-RGVLZGJSSA-N	628.264	6.449	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1	408796649	OQTIMVWRGPZTHY-UDWIEESQSA-N	535.350	5.059	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2cccc([N+](=O)[O-])c2)c1	408808891	GJMBNZZHAQETNZ-KOEQRZSOSA-N	535.556	6.307	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408815102	IGKPMEUTWOFQDD-LKXKSQAXSA-N	507.845	6.836	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1	408816709	VDORDAPZGCXYFD-NHFJDJAPSA-N	526.592	7.294	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408819376	QLAVLEBDEQQMPT-NVJOKUIPSA-N	602.235	6.008	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OCc2cccc3ccccc23)c1	408822866	MORGZBWKYBSCHU-TWKHWXDSSA-N	554.646	7.861	50	40	KKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OCc3ccccc3)cc2)cc1	408832010	QTZJUFGUTUHOIV-YZSQISJMSA-N	509.005	7.352	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2cccc(C)c2)cc1	408838112	RLLSGAPASQDKHB-AJBULDERSA-N	527.646	5.228	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCc1ccc(C(=O)O)cc1	408838812	ITMOBBWFJCLEDV-KVAAJVFYSA-N	613.095	7.257	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC#N	408839432	SDPJHQQRIQYRMJ-IBBHUPRXSA-N	566.470	6.925	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1	408843944	HODYOUBDJZWYGV-GISVKQOSSA-N	685.822	5.756	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(I)c1OCc1ccc2ccccc2c1	408844099	ONCBQCUVZPJSJR-YSYOEVFLSA-N	730.550	8.334	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC	408845588	YIEBOGLJNRWOHO-WEMUVCOSSA-N	555.656	5.419	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1	408857537	KLKDDLBIFIWDFT-STKMKYKTSA-N	571.699	5.572	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1	408860510	XGYQDXKYUWJVRI-FABQOPTDSA-N	671.013	6.653	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408861489	RZGXFRDCJQJFLL-DPNNOFEESA-N	613.567	6.454	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408862168	DARWGCCUSPBDNK-FNTLCPBMSA-N	654.188	7.395	50	40	KKGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	408878224	YLDGGWUXNPMXDN-NSKAYECMSA-N	547.376	5.156	50	40	KKGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1ccc(I)cc1	408878746	CZIHWPIFJATDRI-GZTJUZNOSA-N	512.278	5.195	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1Cc1cc(C)cc(C)c1	408884060	SKMYZKJMYPBUJI-ZMOGYAJESA-N	517.467	7.218	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1	408896862	UIDRPUHSZFTVKG-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408904681	NAJDCVDRAURPFH-QDTIIGTASA-N	582.363	5.543	50	40	KKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(I)c2)ccc1Br	408905165	UNQDDWUUZUTNKW-ZRGSRPPYSA-N	598.666	6.750	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)n1-c1ccc(Cl)cc1	408923901	LBDMASCFZYQGGP-KCSSXMTESA-N	508.106	7.131	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1	408953470	WKZVADUKFOZCLM-GKVNEZTPSA-N	651.561	7.395	50	40	KKGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCCOc2ccc(Br)cc2)c(OCC)c1	408969443	NOQYKXJPGCUQQI-LFIBNONCSA-N	539.220	5.538	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(C)C	408971522	HPIUOFLSLJCQDM-MAJCRSLFSA-N	586.516	5.682	50	40	KKGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408972673	QMOGXBAMCCZIDI-XJUVKUJYSA-N	587.342	5.993	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc(I)c1OCc1cccc2ccccc12	408973681	OKNAMXHBEJPINJ-DPWJMMOYSA-N	623.476	5.691	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)cc1Cl	408984162	PWXFCGVQDPVLSZ-IUXPMGMMSA-N	534.212	7.328	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1	408990264	WOIKBFKQCQBBCW-GRSHGNNSSA-N	558.803	6.386	50	40	KKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409001161	UZEGITOPHAXUNC-WKULSOCRSA-N	563.954	5.885	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Cl)c1OC(C)C	409017871	WALXDQIRUWKXKF-PGGKNCGUSA-N	591.627	6.013	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(OCC)c1OCc1ccccc1Cl	409019662	WMULHSJWVASSJS-WNBYLZFVSA-N	606.163	6.415	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)cc2)cc1	409020018	LNAHOXCESGKVLP-UVHMKAGCSA-N	589.227	6.451	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(Br)cc1	409040173	SLBOSIQLHFRINK-IPHFVPNQSA-N	576.494	7.736	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409041505	JUQODATVRDCNDN-XDHOZWIPSA-N	552.400	5.859	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1	409064206	CNTJKVWMVDFGDI-OQLLNIDSSA-N	541.334	6.326	50	40	KKGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	409112388	GEHPQDUFDNVVLA-FDAWAROLSA-N	659.933	5.869	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)n1-c1cccc(Br)c1	409119397	SFUXOWGXIPAOAS-KBKYJPHKSA-N	525.299	6.547	50	40	KKGB	
COc1cccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1	409146718	VRNOZVDJVZDJFO-BRJLIKDPSA-N	657.202	5.156	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(Cl)c2)cc1	409163524	SRUTYMIIMLQOQD-OKCVXOCRSA-N	601.885	5.388	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409185607	NGVITIVPOCISGZ-KEIPNQJHSA-N	585.726	6.052	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(F)c4)c(Br)c3)cc2c1	409187824	URMOBYZXRSBYAZ-DBFSUHOCSA-N	545.792	6.729	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc(C)c4)c(OC)c3)cc2c1	409188484	ZSCVOTHQPWDALS-FDVSRXAVSA-N	537.410	6.254	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409189918	NNWJKGNQNLKCKO-LQNQUEJISA-N	529.549	5.820	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(O[C@@H](C)CC)c(OC)c3)cc2c1	409190981	XPOZHFYEJJZPFZ-IDFPFIHXSA-N	536.366	5.386	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1C#N	409212259	PCOBPWXXVHVFBS-XODNFHPESA-N	591.858	5.646	50	40	KKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)n1	409225159	JMPYEQZSBCJAIC-NSKAYECMSA-N	582.293	5.579	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1cccc(C(=O)O)c1	409240562	GXSSXDWUULEWEX-VLZFXTDASA-N	549.421	5.909	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409242065	UHQSYYFBOFILTH-PKIWBCANSA-N	566.427	5.789	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(C)cc1C	409250136	LJRHHCVLCROTCB-FYJGNVAPSA-N	537.538	6.284	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(OCC)c2)ccc1OCc1ccccc1	409259517	AAWMOVXQUUAWTO-QJOVZPHJSA-N	660.565	6.915	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1	409264913	LTOCAQNHBJQHFI-NDENLUEZSA-N	564.436	5.646	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1cccc(C)c1C	409271169	KFNWRQVNZZLRQJ-QJOVZPHJSA-N	619.747	7.351	50	40	KKGB	
CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl	409304050	PJEIKJUMJGCSJC-MOPGFXCFSA-N	560.286	6.370	50	40	KKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409364683	OPFALAPLCDXYBY-IPBVOBEMSA-N	541.660	6.551	50	40	KKGB	
Cc1c(Br)cc(/C=C(/C#N)c2ccc(I)cc2)cc1Br	409371549	HIDBKWFDHVAFCZ-MLPAPPSSSA-N	502.975	6.189	50	40	KKGB	
O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409387891	XYHHRAGVVFOBKS-RPPGKUMJSA-N	683.265	6.362	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(OC)cc3)c(-c3ccccc3)c2c1	409394512	BKBRCXIWWDPWSV-UHFFFAOYSA-N	533.584	6.225	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2Cl)cc1	409394585	CLWPXDNTWJKHMS-UHFFFAOYSA-N	576.867	8.087	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409394612	CTWYWXHTXAJIGQ-UHFFFAOYSA-N	646.881	6.971	50	40	KKGB	
COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)c1	409395008	ISRCONMEFPXKJS-UHFFFAOYSA-N	726.219	8.114	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(I)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1	409396830	BRMQWPUGSFFJNJ-UHFFFAOYSA-N	615.427	6.431	50	40	KKGB	
COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4c(OC)ccc(OC)c4c3-c3ccccc3Cl)cc2OC)c1	409399022	XLBLCTNIVFEMJF-UHFFFAOYSA-N	614.054	6.506	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409406855	XRRZGTNJDITTAW-WBIBEUCMSA-N	687.547	7.678	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OCC	1531387249	XXFAHWSVJHXKGJ-FMFFXOCNSA-N	578.581	5.871	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)c(O)c(OC)c3)nnc2-c2ccccc2)cc1	1790428	YUCWOQBENTXTBG-RWPZCVJISA-N	582.480	5.052	50	40	KKGB	
Cc1cccc(C)c1OS(=O)(=O)c1ccc2c(c1)C(=C(C#N)C#N)c1cc(S(=O)(=O)Oc3c(C)cccc3C)ccc1-2	1840261	WILJHGZMGKJECT-UHFFFAOYSA-N	596.686	6.285	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/C(Cl)=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1	2222367	YJASPBDVFBPQJW-BMLQAHPBSA-N	549.121	6.108	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccccc1Cl	8837166	VPTVRYSUSXPFCP-QRQIAZFYSA-N	510.450	6.182	50	40	KKGB	
CCOc1ccccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccccc1	8843175	IAYLHIZBZPSMHE-UHFFFAOYSA-N	513.704	6.058	50	40	KKGB	
CCc1c/c(=N\NC(=O)CCCCCNC(=O)OC(C)(C)C)oc2cc3c(cc12)CCC1(CCCCC1)O3	13570934	XZBMPAIGGGHHSU-MUGXBBEHSA-N	525.690	6.040	50	40	KKGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	19950457	FCIUVGGPOYQHJY-ZCTHSVRISA-N	511.578	5.478	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)sc2c1CCCC2	97946724	DCQFUGKDUUTYIZ-KNTRCKAVSA-N	554.628	5.458	50	40	KKGB	
N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	97960884	IEVNVXDARZYOBF-DPNNOFEESA-N	574.862	5.939	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc1	97961073	GEFQEVUNJRPGNM-IASPTZJGSA-N	568.580	5.171	50	40	KKGB	
CCCCOc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3C)=C(C)N2)c1	97985298	DXBWVAWVSRBUMW-LJAQVGFWSA-N	572.756	6.942	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccoc1	97985343	VXOFAERSFYSYQL-LJAQVGFWSA-N	550.640	6.148	50	40	KKGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccccc1	100122720	CPWHXPCCTCVLDC-KBVAKVRCSA-N	613.965	6.164	50	40	KKGB	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C\c1ccccc1OCc1ccccc1	100401721	PXCQPKJUUISSJI-LQNQUEJISA-N	548.068	5.518	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(O)CCCC3=N2)cc1	102495921	YLHQVSQACHCGJH-UUWRZZSWSA-N	590.789	9.229	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1Cl	102718237	PVTKMCXVXGVNEA-MHZLTWQESA-N	579.509	6.709	50	40	KKGB	
CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341350	DRWRSLLCOIBHAK-MRVPVSSYSA-N	1008.220	13.607	50	40	KKGB	
FC(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342002	BUAAVDXDOPAHDG-UWTATZPHSA-N	992.058	12.199	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342182	IZCGTPMEKPNCLR-REOHCLBHSA-N	892.044	10.928	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(Br)cc2)cc1	162446693	GGCXEYWHTOREHX-KPGMTVGESA-N	648.410	6.817	50	40	KKGB	
C[C@@]12CO[C@@]3(P(=O)(c4ccccc4)c4ccccc4)C[C@H]1CC[C@@]23CP(=O)(c1ccccc1)c1ccccc1	263592074	UIBHSDQMFKDEOB-NGFCIIBRSA-N	552.591	6.548	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	408538749	QEBAXEPOJZWQPM-HKWRFOASSA-N	515.448	6.751	50	40	KKGB	
COc1cc(COc2c(Cl)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)ccc1OCc1ccccc1	408540471	SFKWBIHUNVOQHP-ZMGVVAQMSA-N	580.424	6.832	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1C#N)C(=O)Nc1cccc(C(=O)O)c1	408542080	GVFMXYFGVHKJNC-UWVJOHFNSA-N	675.220	5.590	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCC	408554617	SHAGXEUGJKAUHD-OQLLNIDSSA-N	500.418	5.604	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	408606219	PFUOUZTVZWWNHD-YQZDYSOMSA-N	593.753	7.354	50	40	KKGB	
CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408638683	DDENTWOWGKCOJZ-RCZSKKKRSA-N	568.284	6.226	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1	408646186	TWKRBLQRYULBJE-ZYGGUILKSA-N	635.111	5.295	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2cccs2)cc1	408654839	QVQDGJLNBPMKRB-KJTYYUABSA-N	720.823	5.639	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408676653	LWGRVUQLNIMRIG-STBIYBPSSA-N	522.989	5.590	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)ccc1OCc1ccc(Br)cc1	408719821	MLBVRDKRBWUJRN-UVHMKAGCSA-N	578.326	6.183	50	40	KKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1	408727690	XATUMFKANIWESH-BIZUNTBRSA-N	511.412	7.277	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408761890	IELPBNHNFURQQS-FMFFXOCNSA-N	625.744	6.145	50	40	KKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(OCC)c2)c1	408762696	QEDUMJXVLHYFFE-FYJGNVAPSA-N	568.411	6.213	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1ccccc1	408764686	JUCHTEIRVVAHBV-ZDLGFXPLSA-N	589.227	6.187	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I	408767366	ZZYDVTRKWFJFQS-QPEQYQDCSA-N	635.037	5.769	50	40	KKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408768508	GPAXSKROMFXRGV-UUASQNMZSA-N	523.181	5.130	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCc1ccc(C)cc1	408772208	CPGVQFJTYXLTLQ-QRVIBDJDSA-N	566.439	6.740	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408787286	WNTLDKQFYJUWPY-NDENLUEZSA-N	650.198	7.353	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1cccc2ccccc12	408787569	BXOSFYAXZCSZIS-MFKUBSTISA-N	555.472	7.743	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)c1C	408793578	FUGCCLLJFPZBGW-VXLYETTFSA-N	713.151	7.400	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408796809	ZFAZCKIOYLPASM-RQZCQDPDSA-N	591.245	7.187	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1C#N	408813986	GJIPUUJIHQGEGC-ICUTVXMZSA-N	540.623	6.676	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(C)cc1	408819339	RIWBVECBLLISPG-MYYYXRDXSA-N	531.450	6.297	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408823837	GLTLKEAOUDEUBK-HZHRSRAPSA-N	636.315	8.054	50	40	KKGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408824962	CJYWKIKXDFOBTN-XZYGTATASA-N	715.637	5.912	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408831341	VFRYKKUAHULLTJ-ALQBTCKLSA-N	629.953	6.635	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl	408838030	BLUHZXWCVRAABQ-ODNPBWNPSA-N	626.134	7.806	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408839428	SBKBLPDDWFPLRF-RWPZCVJISA-N	577.347	5.186	50	40	KKGB	
CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1I	408840785	FVRUJZDFVPBVTK-KBKYJPHKSA-N	574.366	5.602	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2ccccc2o1	408854303	BZTHRWVCMOOEQQ-ZRGSRPPYSA-N	620.197	6.051	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc(Br)c1O	408855816	FCAVJGATJSGJFN-KTZMUZOWSA-N	576.256	5.065	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cc(Cl)ccc2C)cc1	408875067	CITRFUWHPLTOTL-KCSSXMTESA-N	607.088	5.790	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	408875370	DXQPZXZAAOFWLK-FYJGNVAPSA-N	506.911	7.637	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1	408876845	RFYDRUQACCNEDV-ZRGSRPPYSA-N	508.199	6.107	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc(I)c2)cc1	408879881	HPWXKDFNGVGDGD-DHRITJCHSA-N	579.188	5.045	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408881354	MUHXPCSLFOZZIE-LDADJPATSA-N	559.413	5.609	50	40	KKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408891626	UDNPQNQIBZCQRF-IPBVOBEMSA-N	549.918	6.420	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Br)ccc3ccccc23)cc1	408893198	GANABMPEARUTCA-LTGZKZEYSA-N	513.391	6.736	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905069	SQHWAISNQDBUIZ-LGUSAWBASA-N	553.185	7.298	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1C	408922213	FAZDDXSTCVESEV-GIJQJNRQSA-N	501.797	7.089	50	40	KKGB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)c(OC)c1	408924108	NYLFAHVOUMYXQX-YPLUWGEXSA-N	671.932	5.020	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1	408942462	FZSLLAUETKCRSS-HKBQPEDESA-N	813.512	6.671	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(OCC)c1	408954209	YTVBLGHJWKJLFF-GDLZYMKVSA-N	763.054	5.807	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)OCC)cc3)c(OCC)c2)c(OC)c1	408957783	VXLDRFAOFRRPLD-PZLKCPHYSA-N	767.630	5.332	50	40	KKGB	
CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	408971387	NPWUKPQLPIKKST-YNHNUBNKSA-N	602.471	5.182	50	40	KKGB	
CC[C@H](C)c1ccc(OCCOc2c(Br)cc(/C=N/NC(=O)c3ccccc3)cc2OC)cc1	408972122	SJHYJONNVYZEHX-VFKGCLKRSA-N	525.443	6.193	50	40	KKGB	
COc1cc(C)c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C(C)C	408973575	ZABBSTBPCGMNSX-HISWNZLWSA-N	570.517	6.079	50	40	KKGB	
CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4ccc(C)c(C)c4)cc3[N+](=O)[O-])sc2c1	408988658	FJQSCIFKELMYKU-XDHOZWIPSA-N	530.631	6.917	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408995569	BBXYEKZMWHIDFQ-QRQIAZFYSA-N	513.510	5.396	50	40	KKGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OC(=O)/C=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC	409015029	QZHOAUXIWQTRCT-DBUCTOGUSA-N	768.606	7.873	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)CSc3nc4ccccc4s3)c2)cc1C	409016184	SRZDFYVZTNCZQY-VYYCAZPPSA-N	504.637	5.173	50	40	KKGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	409019710	WTWZIDBUJIHZMD-KIOZVKNFSA-N	574.480	6.160	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409041663	AZJXEEIEIBIQPK-KCSSXMTESA-N	539.060	7.550	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1	409073240	GIBLSELYJYIRQW-QGOAFFKASA-N	605.894	6.213	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	409075956	ZIXBOYAZBMPXNS-GZTJUZNOSA-N	525.380	5.739	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)OCO3	409095339	HNZMBTVZOUFDGO-QFIPXVFZSA-N	593.204	6.124	50	40	KKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OCc1ccc(C)cc1	409096411	KAKAQMIEZBSFGT-VWLOTQADSA-N	521.367	5.292	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)OCO3	409106922	PDUSHULPYIBIGV-JOCHJYFZSA-N	501.753	6.173	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc(Br)c1OCc1ccccc1	409136311	YLAQTPBOZGQQBI-BIZUNTBRSA-N	622.541	5.934	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)c(Br)cc1OCc1ccc(C)cc1	409140300	DLCXCXVYNLBPNW-NDEPHWFRSA-N	594.550	6.118	50	40	KKGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccccc1C	409164260	FSOPLQVSUSGEBK-XKJRVUDJSA-N	655.276	5.021	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(I)cc1	409208987	DXEOFKXDOYUWMS-XODNFHPESA-N	615.320	6.818	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409210914	MDCRWDNOFUFKIO-NVMNQCDNSA-N	510.300	5.917	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(F)cc1	409212442	MHUXRARQAMRCIT-OKCVXOCRSA-N	513.034	6.428	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	409224807	MCOBQRHDYKWZRM-KYHGBAKBSA-N	546.410	6.537	50	40	KKGB	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1	409225587	RGOWXOLRFKZZFH-MNBJERMJSA-N	552.543	5.147	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCc1cccc(C(=O)O)c1	409233669	HCURSGWUGLJGNT-IWIPYMOSSA-N	563.448	5.781	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C	409255791	IVUGOOVSYQKRJH-WBIBEUCMSA-N	684.616	7.805	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Br)cc1Cl	409264329	OVRQZCUFJVEHJR-ZRGSRPPYSA-N	545.777	5.101	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409264906	MTUFQGKPDDLJPB-FYJGNVAPSA-N	595.437	5.870	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409266087	JNXLSBUNFRWOFT-QDTIIGTASA-N	591.833	5.351	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409269009	CTKBZMXAXODBCO-WBIBEUCMSA-N	684.616	7.805	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1cccc(Cl)c1	409313136	HPFRDBHDLDKDHV-HQDYHJHZSA-N	623.931	7.432	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1OC	409314636	GKVZDKLOSYJRBY-UHBFCERESA-N	620.338	6.751	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1OC	409321436	GJJFBWWQWITCQR-YNFMAFFXSA-N	567.904	6.239	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409322751	KTZCJYWNVAJROJ-WKIKZPBSSA-N	563.350	6.163	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1	409380211	KLMLOASFNPKZTJ-MHWRWJLKSA-N	562.317	6.170	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F	409380642	OVXORYRMDSYZBC-ODQASSKESA-N	708.997	7.899	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409386688	RGJRZBKTZURLTB-VFLNYLIXSA-N	615.437	5.891	50	40	KKGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(ccc4ccccc43)c2-c2ccccc2)cc(OC)c1OC	409395141	KHWPMLGUJJASIM-UHFFFAOYSA-N	599.643	6.997	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2Cl)c1	409397744	NNEMQABAYZRDQB-UHFFFAOYSA-N	586.873	7.542	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	409398103	QNQPDXBGSFQUNQ-UHFFFAOYSA-N	582.454	6.898	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1OCC(=O)Nc1ccccc1	409401071	GGYFDFYWEGWUHA-CLHYIUPASA-N	641.124	7.100	50	40	KKGB	
FC(F)=C(F)OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)SSC(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F)C(F)(F)F	1565683404	TVPGQWQQYNGYCP-PHDIDXHHSA-N	790.232	10.517	50	40	KKGB	
N#C/C(=C\c1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(F)(F)F)oc2c1	1777223	DSTFJYWTZUMIPX-XNTDXEJSSA-N	530.285	7.298	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)nnc2-c2ccc(Cl)cc2)cc1	1897929	BOVZVBOGVOJJGL-KCSSXMTESA-N	586.121	6.031	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1	3067292	YOXROPCCEYQHSP-UVHMKAGCSA-N	522.226	6.498	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(C)cc1	4196423	HLNMLTAWZXXVGE-YBFXNURJSA-N	556.254	6.653	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	8384158	PBCLXCIGMWAKTJ-WKULSOCRSA-N	588.833	5.857	50	40	KKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3cc(C)cc(C)c3)c2C)c1	20243651	OJNPMKAWFPEEPI-XODNFHPESA-N	512.517	6.474	50	40	KKGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1C	20243682	CBTMIMBHZFVMQW-BRJLIKDPSA-N	515.433	5.457	50	40	KKGB	
Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)s1	41108641	YKYROKKLBGFOOV-RWPZCVJISA-N	520.014	5.024	50	40	KKGB	
CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C(/CNC(=O)c2ccccc2Cl)c2ccccc2)C1	59211881	RMNVMDONURVCTJ-TXBHVNISSA-N	539.120	5.580	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	59856418	CKPLLUGPSLQSOQ-FNTLCPBMSA-N	618.158	8.114	50	40	KKGB	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1)S(=O)(=O)c1ccccc1	97970873	DEXWBWVHYXUOCG-FDALDRLYSA-N	645.612	7.869	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	97999367	YDUKJOJDFUPORC-NDEPHWFRSA-N	558.660	5.702	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	100336370	WERPMAISUTYKDY-APSNUPSMSA-N	566.666	7.543	50	40	KKGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccccc1OCc1ccccc1	101366991	UYPWDSVTMJIPKH-BSAWEUQCSA-N	561.111	5.940	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccccc1	101621078	SYBOBFJIXQERBT-LICLKQGHSA-N	574.353	6.040	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OCc1cccc2ccccc12	102932849	CYOUSOIOXVEKGX-CIAFOILYSA-N	562.409	7.578	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Br)cc1	102933063	ALMQYZDVHTWROU-LICLKQGHSA-N	542.773	6.144	50	40	KKGB	
CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4o3)c3cc(Br)ccc32)C1	102950473	KDBOCECLKIZFHX-BSKCXYNGSA-N	596.551	5.408	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	103896702	HSSMFCFIUOIVQN-FMFFXOCNSA-N	571.699	5.545	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	103901537	XUPJDGLQINGIJK-BAXYXGPBSA-N	582.347	7.116	50	40	KKGB	
COc1cc(/C=N\c2cc(Br)c(OC)c(Br)c2)ccc1N(CCCl)CCCl	104091884	VQNHZOCEXXKOMZ-MSXFZWOLSA-N	539.095	6.263	50	40	KKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)[C@@H](Br)[C@@]4(C)[C@@H](CC[C@@H]4/C(C)=C\C=C(c4ccccc4)c4ccccc4)[C@@H]3CC[C@@H]2C1	123338484	UKFMVSQONDNDJQ-JGHMUKEXSA-N	629.679	9.208	50	40	KKGB	
CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccc(OC(=O)C(C)(C)C)cc2)cc1	138238030	QKWCTPTUWXTFRE-ZQHSETAFSA-N	506.086	7.167	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1	150385189	AXNAMNKNSQPFSC-NNLKUIAGSA-N	639.221	7.832	50	40	KKGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	150417102	DYBUGQXYTJCNGQ-UHFFFAOYSA-N	640.161	6.238	50	40	KKGB	
N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12	170621500	KQIHYMLPAWUVKD-DWNQJFHRSA-N	503.605	7.054	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(I)c1OCc1cccc2ccccc12	408529877	KKKJKSPLAPJVRT-OCSSWDANSA-N	580.422	5.951	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c3ccccc32)c1	408545552	ZTLAIBQWHXXKPT-MOSHPQCFSA-N	514.379	5.784	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408552855	KZWGQBGNDMSTBM-LICLKQGHSA-N	619.299	6.726	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408568145	ICZYDQKZSPXLHZ-IUXPMGMMSA-N	537.345	6.415	50	40	KKGB	
C=CCOc1cc(Br)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCC	408569970	RHERLVLBRFZBMD-AFUMVMLFSA-N	537.501	5.420	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1OC	408580614	DECJZCDICOFVQI-VXLYETTFSA-N	545.348	6.099	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc(Cl)cc2Cl)c1	408581293	WBGCMIYVOMUWAG-LZYBPNLTSA-N	595.118	7.909	50	40	KKGB	
CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1	408638000	PIYDTGLURPBZJN-UKJJDJLKSA-N	630.568	8.235	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3Cl)[C@H](CCCl)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1	408645576	SLWSZHWWVAUOJJ-XBTSVGFCSA-N	570.300	6.306	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408676237	ANRNHRMCBKTPIR-IXFQNSDBSA-N	601.122	5.329	50	40	KKGB	
O=C(CSn1nnnc1-c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl	408731781	MZUYPKFHSWWWOL-IPBVOBEMSA-N	671.202	6.398	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408743975	CWZBHOICFMDCQW-YVLHZVERSA-N	542.773	6.144	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408745924	AWKNWQMDPGBBBB-ZDLGFXPLSA-N	633.236	5.885	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCc1ccc(Br)cc1	408747444	NZEIIVRRQHMHOE-MZJWZYIUSA-N	609.258	5.804	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1	408752736	JUMOFGHACDZSJM-HEBRPIARSA-N	618.716	5.341	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408757392	ZKELBVDEKRTKLE-DHDCSXOGSA-N	592.811	5.333	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1	408758326	IWBVMCKQSYEYCB-FJEPWZHXSA-N	535.360	6.138	50	40	KKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccccc1I	408762711	QJZXNEJRBOHSAV-RPPGKUMJSA-N	568.198	5.379	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OCc1ccccc1Cl	408778036	OYICUTSEBXEBNX-YNFMAFFXSA-N	602.778	6.705	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)cc1Cl	408786498	RHWBHCOZYGCOHU-HMAPJEAMSA-N	662.355	6.831	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCC(=O)O)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408788479	KIEIESWNHXUZQZ-VCHYOVAHSA-N	680.236	5.484	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408790064	MYLPEDMFJRSWJA-VCHYOVAHSA-N	560.673	7.298	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1	408805211	JPUSFKYCLHZIRH-CIAFOILYSA-N	521.411	6.208	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3C#N)cc2Br)cc1	408811820	AQHFYGVPEURVKS-JJFYIABZSA-N	532.394	5.140	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C)c(C)c1	408819552	XRJMHDAZZHIIIZ-UFFVCSGVSA-N	539.857	7.161	50	40	KKGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC	408823557	DYRBAEFMSQZDSM-XDHOZWIPSA-N	588.829	6.477	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408826300	LEOJOEHLVVGYQK-OKCVXOCRSA-N	556.471	6.050	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)ccc1OCc1ccccc1	408826730	CQTCJKWBOWDMFH-XBQJKBNESA-N	562.714	5.746	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408839183	OKAUJNGMWNBQPJ-KPGMTVGESA-N	655.730	7.100	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc(C(=O)O)cc5)c(I)c4)cc3)cs2)cc1	408839469	STIWUICUIHNJBK-QNVXDBMFSA-N	767.443	8.270	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408840875	CQQISKFLKOBFKZ-LUOAPIJWSA-N	607.711	6.802	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408841341	FLCVJBFLZVGSTR-UVHMKAGCSA-N	541.858	6.742	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)OC	408844404	OKGDVVBYCVMLLY-XAZZYMPDSA-N	599.496	6.575	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845998	QEXLFWJMXXOXKM-CDLBOOTPSA-N	658.010	10.010	50	40	KKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)c1cc2cc(Br)ccc2o1	408850565	CBHBPPQPEQWTJP-PPDIBHTLSA-N	607.096	7.063	50	40	KKGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccccc1	408855287	BTXJXFBPZSOUAJ-KBVAKVRCSA-N	553.059	5.541	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(Br)cc1OCc1ccccc1	408856805	LNRIEMFFKRBALH-KKMKTNMSSA-N	627.127	6.421	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccccc1	408863035	OLSXYQCIIMCUTF-ZTKZIYFRSA-N	528.074	5.404	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408863907	RAEQWRANHFMNTL-MWBNBJEGSA-N	661.007	7.279	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Cc1ccccc1Br	408871441	YGJYMVGYACZZRW-UDWIEESQSA-N	601.282	6.897	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	408872119	KUIGSYNQNRQXFA-AWSUPERCSA-N	541.673	6.025	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OCc1ccc(C)cc1	408883226	UHFPENFQGDGXCS-YBFXNURJSA-N	568.367	5.431	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1OCc1c(Cl)cccc1Cl	408887051	LOXLEJOILUGWMX-LFIBNONCSA-N	579.221	6.731	50	40	KKGB	
CCOc1c(I)cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1I	408889237	BBRAFWJXXFTBSA-WKULSOCRSA-N	676.377	6.678	50	40	KKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1	408906164	CRULIAAOVYQIHN-ZTKZIYFRSA-N	512.075	5.780	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2C)c(OC)c1	408926665	XICAKBLZILOVNL-VXLYETTFSA-N	599.381	5.650	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408956207	PWSGUWFWUNUNEL-SSUFFIQFSA-N	563.392	5.063	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(I)cc1	408956492	XLQXOJOJSMMBMZ-MTJSOVHGSA-N	656.318	6.388	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	408957501	USYPLVJPPBTOTN-KWRNATMASA-N	590.477	5.345	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c(OC)c1	408957640	VIBUTRJZOQXKGC-FAQSDZBQSA-N	641.508	5.301	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCc1cccc2ccccc12	408962636	IRXREWRZZBCCFS-MHDJOFBISA-N	571.393	7.363	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Br)cc1	408962660	JAHFSWGSWZNRJB-VVEOGCPPSA-N	555.778	6.863	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12	408968961	DRMMNNJCFUHGOY-WCCNTRHOSA-N	670.593	7.379	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1C#N	408970904	AJIHHQSNDWUMEU-HMHOXEJXSA-N	738.466	7.250	50	40	KKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408972531	UVMNLRCHCCPGOP-IABBFWQJSA-N	682.435	7.948	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(C(=O)O)cc1	408983314	LINHUTUVPNXIFG-JMIUGGIZSA-N	616.839	6.475	50	40	KKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c1	408998546	BHTOIQIIYDCCFC-UXHLAJHPSA-N	522.517	5.139	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1cccc2ccccc12	409030359	CVRUGWANBDTINM-SEBMTOOBSA-N	598.728	8.449	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409047161	NEKFCWFIBUEILK-LZYBPNLTSA-N	570.192	7.899	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2cccc(Cl)c2)cc1	409115857	LFHBDRQUXLEWDQ-FJEPWZHXSA-N	592.888	6.261	50	40	KKGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	409116286	MDKFRYMJSUYQKJ-NDZAJKAJSA-N	578.488	5.583	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccc(C(=O)O)cc1	409123195	ABKQUCYEICLDPL-XMMPIXPASA-N	537.366	5.049	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(I)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409132199	ZAPQIVVPEGZMRV-VWLOTQADSA-N	617.915	5.906	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCc4cccc(C)c4)c(OCC)c3)cc2c1	409186900	JGLVAJNVELGPEI-UHBFCERESA-N	551.437	6.644	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3c(OCc4ccc(C(=O)O)cc4)ccc4ccccc34)cc2c1	409187626	SPJAQWJIAHKFSI-LJUMEUDFSA-N	508.530	6.026	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1	409213744	SXIZKYGZHCIVKR-LGJNPRDNSA-N	566.848	5.775	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	409215850	BQSSGVQYXAIHME-VTNSRFBWSA-N	577.175	7.183	50	40	KKGB	
COc1cccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)c1	409217963	GIMAPQOFKVDWJT-VUXZUVEHSA-N	562.025	5.315	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1cccc2ccccc12	409220793	FXAKTKRIPBZXKV-IMRQLAEWSA-N	525.048	7.127	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)c1	409221969	CAFSQYYCCUHXAC-VKXZICQFSA-N	564.554	5.238	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OC(=O)c2ccc(C)cc2)c1	409222994	DYYBHKZMXIMIDO-UHFFFAOYSA-N	541.991	5.892	50	40	KKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	409223807	IEIVVJIGNVXENQ-ZMGVVAQMSA-N	611.279	6.991	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)c1cccc(C)c1	409227276	YUWVSTZPQJWHKQ-UHFFFAOYSA-N	597.624	5.265	50	40	KKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3cccc(C)c3)c2)cc1	409227689	ZTQXXQKEGNNCSC-UHFFFAOYSA-N	586.442	6.002	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NC(N)=O	409242117	MEHSABRGWQTZMM-JYOAFUTRSA-N	503.567	5.090	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409249866	IWSLTFXFYHDOHN-WKIKZPBSSA-N	622.803	5.033	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409253738	BXTNGVOQQFRJPE-RQZCQDPDSA-N	589.273	6.636	50	40	KKGB	
COc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	409262320	HSDJWQXTBJTZST-LUOAPIJWSA-N	587.095	6.870	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=N\NC(=O)c3ccccc3)cc2Br)c(C)c1	409263663	NMSGFSCHPQLQME-WKIKZPBSSA-N	559.258	5.610	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)ccc1OC	409309307	FIICKZSXPULRTD-QDTIIGTASA-N	517.365	5.442	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1OC	409324870	WALBZACXSSRYBJ-MBTHVWNTSA-N	515.379	5.729	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OCc1ccc(Cl)cc1Cl	409373091	QTFACKUXVWJECW-FDVSRXAVSA-N	528.392	5.911	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(OC)c1	409383839	KFXDNVUDYGXOFX-KKMKTNMSSA-N	538.225	6.116	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)Sc1nc2ccccc2s1	409383933	PURHLYMNZBLTFJ-CXUHLZMHSA-N	592.765	8.710	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3OC)c(Br)c2)cc1	409387724	PTCFSGKVHFTOQU-XMHGGMMESA-N	550.409	5.420	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409394654	DGPDGOGLNVCMKW-UHFFFAOYSA-N	685.745	8.269	50	40	KKGB	
O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1)c1cccc(C(F)(F)F)c1	409396009	VENFXNOYPKXFNM-UHFFFAOYSA-N	754.184	9.669	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1-c1ccccc1Cl)c1ccccc1Cl	409397302	ILLFGFYYHJYXQY-UHFFFAOYSA-N	597.285	8.432	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)c(-c3ccccc3)c2c1	409399370	ZZODMBWGBNUKNN-UHFFFAOYSA-N	564.554	5.743	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)o2)cc1	409400758	FIFFFBTVWMXSKS-FZKWRIDDSA-N	563.610	6.307	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccccc1Cl	409401842	IJCVOZDKYMJCSZ-FRKGHFGRSA-N	711.440	9.077	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(OCC(=O)Nc4ccccc4F)ccc4ccccc34)o2)cc1	409402773	KYMVYGIMHXJBRE-XFDYYPNTSA-N	630.676	7.340	50	40	KKGB	
COC(=O)[C@H](C)Oc1c(OC)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1Cl	409403774	NWQIQFHOHUNBBI-VOEGGJIGSA-N	658.933	6.395	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	409404269	PQCAIAXHZXUFBV-OFSKBFHASA-N	608.489	6.123	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccccc1O	2057810	CRKJHOJCLMWEMB-UZWMFBFFSA-N	536.429	7.043	50	40	KKGB	
CCOc1c(Br)cc(Br)cc1[C@H]1C(C#N)=C(N)OC(c2ccccc2)=C1C(=O)c1ccccc1	2178044	RIGZOVMEKUESTJ-QFIPXVFZSA-N	580.276	6.712	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1Cl	2312019	AOXRHYALMXUZMK-XMMPIXPASA-N	526.489	6.739	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	3036983	BMIAIPHLIHAWGJ-FJEPWZHXSA-N	501.454	7.496	50	40	KKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	3036988	QIMSBJDJYVEGSW-MUFRIFMGSA-N	511.460	6.952	50	40	KKGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1	3113532	ZAIRIUWNYLNHRP-HNSNBQBZSA-N	570.443	5.067	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1ccc(SC(F)F)cc1	3248949	GXYRJPJTFPFDHK-XMHGGMMESA-N	512.541	7.146	50	40	KKGB	
Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccccc3OCc3ccc(Br)cc3)c2)n1	8781351	VNVXQMQYSRJNEU-MUFRIFMGSA-N	517.427	5.654	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/C=C/c2ccc(Br)cc2)cc1	9720533	WEIZIVHHXIMECA-AWOYJQMJSA-N	517.427	5.101	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	12250868	YXKQHPVLWWIQQI-MUUNZHRXSA-N	526.637	5.518	50	40	KKGB	
COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1ccc(N(CCCl)CCCl)cc1F	19325335	OLHYSICFEIZLNT-UHFFFAOYSA-N	560.541	6.534	50	40	KKGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	20028893	HDWRJSJJDBZROA-VWLOTQADSA-N	524.086	6.368	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1cccc(Cl)c1	59646237	OSVCXEKBUYMAQN-BIZUNTBRSA-N	623.087	5.572	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	97961228	ACTDVGHHEWOOOC-RUZDIDTESA-N	579.545	6.526	50	40	KKGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	97966026	UQDBUYQEJPEVGN-ORBVJSQLSA-N	640.126	5.844	50	40	KKGB	
Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc(Br)cc1)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2	97984044	BZDJOOAXNTTXEI-YBYMJJFMSA-N	632.546	8.782	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)c3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	98048877	OQEUSRXPUWSITL-SANMLTNESA-N	532.662	5.702	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl	100123812	HBVVDTPBFGPOJE-WCMJOSRZSA-N	589.932	6.400	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl	100232870	QAZLOQUIZOJFKF-WQRHYEAKSA-N	546.248	7.279	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc(Br)c1O	100852562	WJGZRQAAQZTGGE-VFLNYLIXSA-N	613.559	5.354	50	40	KKGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1OC	100854772	ANCYBMZNVWBZLH-WGOQTCKBSA-N	524.693	5.633	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1C	100982501	MBIATHQYLLVVMT-RDKICWGTSA-N	522.457	6.675	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccc(Br)cc3)C2=O)cc1	100990638	YRTZIVDAMADWIA-CKVBZJJFSA-N	522.424	5.093	50	40	KKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	100991306	GAAPAZQOAGJJRC-GFPZRUSRSA-N	552.881	6.476	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1Cl	101304939	XYDVRQLVUSDHRZ-RUZDIDTESA-N	548.039	6.247	50	40	KKGB	
CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528480	YDTUEYHHSNEWRE-OAHLLOKOSA-N	506.328	8.714	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccccc1	103754179	UWOKVQXSVDZGQH-RWPZCVJISA-N	524.583	5.605	50	40	KKGB	
COc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1	103843730	RGVHGJRGLBIETD-YRRMYEEHSA-N	536.635	7.375	50	40	KKGB	
O=C(CCCC(=O)N/N=C/c1c2ccccc2cc2ccccc12)N/N=C\c1c2ccccc2cc2ccccc12	104081259	JKFQBDDVDXOSDR-ZGWRMIOHSA-N	536.635	7.070	50	40	KKGB	
C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	104699146	WWRYQLRFPJFKGX-VHENUOIUSA-N	564.524	7.188	50	40	KKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](C)Sc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC	104709447	UDFAVXJSPRKKGQ-OGKARVHXSA-N	562.135	7.205	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	150486012	UXPCWWBARNITQL-FJEPWZHXSA-N	633.466	5.524	50	40	KKGB	
CCOC(=O)CCC(=O)[C@H](Br)[C@H](Br)[C@@H](Br)[C@H](Br)c1ccccc1	245239772	MEGLECGKMOXAKM-UGUYLWEFSA-N	577.933	5.326	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408541770	DQBYCZCPLOKOIG-OCKHKDLRSA-N	571.302	8.291	50	40	KKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)cc1OC	408579899	LFSCPOIGINLFAT-KEBDBYFISA-N	543.255	7.180	50	40	KKGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(Cl)c1OCc1ccccc1	408605440	KEVFUZICMSPZOP-KRWDZBQOSA-N	500.382	5.077	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408637741	AXVFJRNNKQGMEY-TVFCKZIOSA-N	651.566	5.809	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638108	BWSYEHRHXSRKON-DUUJBTRBSA-N	738.493	7.678	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccco2)cc1	408648764	KEZOZEVOFPPFQR-LDPLSIHXSA-N	704.755	5.170	50	40	KKGB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1	408686970	NYQHPVCOVASMMW-QXGSTGNESA-N	602.696	5.321	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1	408726124	PRKQKGKJGJUUCN-UNOMPAQXSA-N	541.829	6.634	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Br)cc1	408727187	YULDWYHWWNZIPH-MFOYZWKCSA-N	634.224	6.095	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc2c(c1)OCO2	408745648	USEZHFYZAYKUSB-OCKHKDLRSA-N	521.367	5.620	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)NCc1ccccc1	408747533	PHTLUCJEWIMGIR-GRSHGNNSSA-N	591.218	5.995	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408757816	CONGYNCZLJRMSB-VTNSRFBWSA-N	679.505	5.142	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCc1ccccc1F	408765846	QSYUOYGYUHBYQI-BKUYFWCQSA-N	521.386	6.450	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccccc2Cl)cc1	408773559	RXOIZJGZVGEJNK-LGJNPRDNSA-N	510.830	5.301	50	40	KKGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1ccc(Cl)c(C(F)(F)F)c1	408776258	VXWIPNZBEMAQAH-UHFFFAOYSA-N	510.022	5.902	50	40	KKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2I)cc1	408788163	BODCWBQELAYNJA-YZSQISJMSA-N	600.456	7.303	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408795987	NWIDZXTXJUHGCH-RQZCQDPDSA-N	672.144	7.884	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1F	408796290	XRUDTDSPZXOHEM-XDHOZWIPSA-N	542.348	5.954	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1	408802431	DYMQTWHSMZUYQY-YBFXNURJSA-N	529.807	6.948	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1	408812884	XLTZYTBMJQOKHV-XDHOZWIPSA-N	529.807	6.948	50	40	KKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408818113	NBXZTBDUNNKWSX-QJOMJCCJSA-N	545.630	8.370	50	40	KKGB	
Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408821206	DQXSKNOPPSNLIF-CNCDYAKUSA-N	633.941	6.028	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	408830073	LIUGENXKTIBWRF-IZYHBKOJSA-N	646.087	6.600	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccccn34)o2)cc1	408830953	ULWORYNTEGFQAV-LJUMEUDFSA-N	576.078	5.353	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408831733	RVEBMNFDDIMDEY-KPGMTVGESA-N	596.027	5.586	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408841655	GGQNWRGCZVETPM-LUOAPIJWSA-N	607.711	6.802	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408842429	KBQJSAKCDDMTDW-AABVJFSESA-N	652.401	8.966	50	40	KKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)c1	408843260	FEEOBNBUSYBVJM-ULJHMMPZSA-N	541.629	5.533	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCC(=O)O	408846571	TWQJWDXDNBGYEA-AMVVHIIESA-N	656.502	6.093	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl	408847958	XHIUOIMEMCSBBV-KKMKTNMSSA-N	567.223	6.406	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2ccccc2o1	408856667	LAONGQGYWSKEGM-PPDIBHTLSA-N	565.194	6.687	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2cccc(Br)c2)cc1	408861271	BFKRRBJZBUMJDC-LGJNPRDNSA-N	555.281	5.410	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cccc(C)c2)cc1	408865901	DOOYLVHALGPVEZ-VTNSRFBWSA-N	583.541	6.363	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(I)c1OCc1cccc2ccccc12	408870773	WWNUVPUQJZLIEK-LQNQUEJISA-N	580.422	6.195	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(OC)c1	408872518	FQPTXUHXRUVMNY-UDWIEESQSA-N	520.416	6.237	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1Cc1ccccc1Br	408875110	DCMMJXQQPULFAU-CIAFOILYSA-N	523.858	7.255	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1Br	408878331	AKKHHQOCLNBNFW-RGVLZGJSSA-N	525.830	6.853	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccc(C)cc1	408881243	KINNNYMTPSZXIT-GIJQJNRQSA-N	546.248	7.198	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C(\C#N)C(=O)Nc3c(Br)cc(C)cc3Br)cc2OC)cc1	408885580	CGJNHUQRRDRQIO-LICLKQGHSA-N	679.159	7.065	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408891544	SHEQVBAJRQKILT-RGVLZGJSSA-N	507.384	5.905	50	40	KKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12	408895852	OHQPMHIPOYQMAX-XSFVSMFZSA-N	545.820	7.329	50	40	KKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2Br)c1	408899241	OJGSOEWKZMBZKO-WPWMEQJKSA-N	567.483	7.770	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(I)c1OCc1ccc(C)cc1	408904684	NBBLPJPRMCRADB-WKIKZPBSSA-N	608.274	6.414	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OCc1cccc(C)c1	408905431	YMJZDYITKRPUDY-WKIKZPBSSA-N	561.274	6.572	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OCc1ccccc1C	408924090	NRGHPNFWDFAPCB-LGJNPRDNSA-N	579.232	5.714	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(C)cc2)c(I)c1	408948020	OOQYENNVHJBPQH-NDEPHWFRSA-N	777.479	5.826	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c(OC)c1	408958631	ZNSSWYRYCADGBY-HVJLQFNCSA-N	659.498	5.440	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1	408972012	NSJCWKQCVCLIOW-KTOPISSASA-N	699.429	6.989	50	40	KKGB	
C=CCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br	408976336	AMIZDAOXLCUJAU-ZAVGGQCXSA-N	506.400	5.025	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1C#N	408985147	VVSFZKISPZAUGF-SRZZPIQSSA-N	550.840	6.806	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)cc1	408988358	DGIGIHKYFZRCRE-MHWRWJLKSA-N	517.548	6.118	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008684	ZXGFRQVEJKKLGQ-IDWIKUEFSA-N	565.714	6.643	50	40	KKGB	
CCCOc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	409011464	FLSSKLAFNIRSFI-TWPZUGSMSA-N	538.472	5.239	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2cccc(C)c2C)cc1	409024825	HWQXIMLHKLPPFY-KCSSXMTESA-N	607.574	6.128	50	40	KKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1C	409026529	RMCJWFOGIPKQFV-IOQCEILHSA-N	558.704	5.808	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCc1ccc(C)cc1	409044656	HFPFUZYNAQQCDL-XZYGTATASA-N	688.591	8.208	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409068425	SPDVLVNTRZWWFY-JJIBRWJFSA-N	516.619	5.744	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OCc1ccc(Br)cc1	409099350	QJOCNKOQBOYXCL-DEOSSOPVSA-N	647.263	5.978	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c2ccc(F)cc2)cc1OC	409110974	ZVEUILLKXKREJQ-HNSNBQBZSA-N	571.630	5.495	50	40	KKGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409122128	ZNWZBOPFQBPZAF-KVAAJVFYSA-N	675.591	5.781	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4cccc(C)c4)cc3Br)cc2c1	409186978	KKQTTYLPYIBEHF-FDVSRXAVSA-N	537.410	6.254	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1ccc(Cl)cc1	409189171	DUTRQRWYBCVCCF-BRJLIKDPSA-N	569.624	6.050	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCC(=O)Nc1ccccc1	409214051	XHXXEFAAAMSEFU-WQRHYEAKSA-N	508.328	5.448	50	40	KKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1	409214781	YEGIXAWYRUEQAD-LUOAPIJWSA-N	586.708	6.826	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc1OCC	409218309	HXELGZJPVISMQE-NQXMWTGWSA-N	780.426	7.552	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)Nc1cccc(C)c1C	409257859	QXQIZBJKYUWOCT-IDWIKUEFSA-N	595.696	6.461	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1Cl	409258630	UZRYOUSIXYGRQS-HQDYHJHZSA-N	612.111	6.997	50	40	KKGB	
Cc1c(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc2n1Cc1ccccc1Cl	409259684	CMUAYPMEYUOOEE-IPPBACCNSA-N	556.835	5.818	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1	409260310	OJDSTQFRSKTHSW-APTWKGOFSA-N	558.034	6.099	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409263433	KVLXYGFHFQKGFB-YDZHTSKRSA-N	576.491	6.645	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2C)ccc1OCc1ccccc1	409273157	VZMNOHBNCYUXOK-FZKWRIDDSA-N	616.512	6.517	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OCC	409303841	OQJIOBOGHUJHPO-MBTHVWNTSA-N	567.447	5.331	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1OCC	409311670	HBGSDXYMVTUSAJ-FDVSRXAVSA-N	633.293	6.426	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1OC	409314698	GYTDOSWHXOSSMF-MUXKCCDJSA-N	578.378	5.189	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)ccc1OC	409323570	OJRCLXLGMXMUKH-MUXKCCDJSA-N	503.382	5.752	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1	409361855	QWPFKDKXPRJVBI-VFLNYLIXSA-N	595.719	6.405	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409371960	CLUXVGLDIVHRGA-KPGMTVGESA-N	594.437	5.930	50	40	KKGB	
CC[C@@H](C)Oc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC	409374127	YREYCXQSFYBUDP-NXYZXBHKSA-N	532.378	5.403	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1	409380407	MLSXYYQWAWNZFV-IZLXSDGUSA-N	745.585	5.202	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409395346	MMMATGXVMONXLG-UHFFFAOYSA-N	676.181	9.194	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4cc(Cl)ccc4OC)c(OCC)c3)c(-c3ccccc3)c2c1	409396595	YNWNSUFVMABHLD-UHFFFAOYSA-N	612.082	7.277	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409396953	DHUOLOUWPJNTFP-UHFFFAOYSA-N	627.311	8.440	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409397037	FJQYXJKXLGYYOJ-UHFFFAOYSA-N	597.027	7.087	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409398184	RPMXYTYPXOWGTQ-UHFFFAOYSA-N	621.999	7.507	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(-n3c(C)cc(/C=N\NC(=O)c4ccc(COc5ccc(-n6c(C)ccc6C)cc5)o4)c3C)cc2)cc1	409401965	IUAPMULNQRBKOY-PTZDRTPLSA-N	669.782	7.764	50	40	KKGB	
CCOC(=O)[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1I	409404753	QWSMEKBEIZNWOU-OFSKBFHASA-N	655.489	5.965	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)ccc3O)o2)cc1	409404974	RORRRUQBKJLNSH-VYYCAZPPSA-N	508.372	5.498	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCc1ccc(C)cc1	409406457	WUYPGIBEHUZIDP-CLHYIUPASA-N	656.577	8.079	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)c(OCc2ccc(C(=O)OCC)cc2)c(OCC)c1	1529548374	DYDHBARYSCQDED-BPDSJRNWSA-N	709.221	5.379	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	2233564	CJMLYNCYQCJGTB-KKMKTNMSSA-N	517.825	5.588	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(SC)cc1	8809595	BZNQZNVSGFGUKX-JOCHJYFZSA-N	506.653	5.018	50	40	KKGB	
CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=CC(C#N)=CN21	13138589	BAHWTZLXOWHIGV-YTFSRNRJSA-N	515.407	5.244	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1	28217151	QJRIMWMAAPCUCW-FQAMYZABSA-N	526.637	5.771	50	40	KKGB	
CCCCOc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCOC)cc2)cc1	97946471	ULRMJWLYXAKPKX-SZXQPVLSSA-N	550.659	5.967	50	40	KKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1COc1c(Br)cc(Br)cc1Br	97959845	QOVOATBREWSFNY-NDEPHWFRSA-N	776.751	9.156	50	40	KKGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cc(OC)c(OC)c(OC)c1	97961065	ZJLSSGYZCXTPAY-AMVVHIIESA-N	666.319	5.384	50	40	KKGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	98048473	XRFSQZFGGVGFPL-DEOSSOPVSA-N	566.908	6.901	50	40	KKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@@H](C(=O)c3cccs3)[C@](O)(C(F)(F)F)N2)cc1	100097915	JCJCYCKLFLYCLI-DPZBCOQUSA-N	606.091	6.508	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1	100240251	XWNLMEFWOISXTJ-AJBULDERSA-N	576.744	5.560	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1	100989439	SZCOGIGWMJQYCB-WTALZMIHSA-N	573.299	6.821	50	40	KKGB	
Cc1cc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)n(-c2ccccc2)n1	101179053	HRXXKPBJXSESIJ-QVYNVJOCSA-N	574.493	6.553	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	101328895	UYCRRORWSVHUQO-WOJGMQOQSA-N	545.464	5.486	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1	103879508	CXXBVVOWQLHTPF-FMFFXOCNSA-N	598.488	7.229	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1	104402924	XUYRNMTUIAGYRZ-OKCVXOCRSA-N	582.292	7.106	50	40	KKGB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1	150339211	HFVNWDWLWUCIHC-UULURKBYSA-N	646.652	5.415	50	40	KKGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)c1cc(-c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)cc2)nc2ccc(Br)cc12	150397629	SBHKIKZONLPRAK-STGYAGFOSA-N	689.965	7.376	50	40	KKGB	
NCCCC[C@H](C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	150400185	BCEKQYFMCZRDDW-OIDHKYIRSA-N	754.793	5.982	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1OC	150474818	TZBIPHLFVWDEQZ-FZKWRIDDSA-N	643.593	5.802	50	40	KKGB	
C[C@@H](CCC(=O)N/N=C/c1ccc(F)cc1)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253617034	LYGIRJHOSGMNLO-JXPZBZAESA-N	512.710	5.683	50	40	KKGB	
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]21CCN[P@](=O)(N(CCCl)CCCl)O1	301054507	XHETZCWARGANIQ-IDXZVUJKSA-N	515.462	6.188	50	40	KKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1	408527993	GZLRMPFDGDNARD-UVHMKAGCSA-N	531.248	5.661	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OCc1ccccc1	408533533	SXBIRIRAZRRXMD-RWPZCVJISA-N	543.405	5.140	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408540910	WXCQOSOFLHTDMO-MWLSYYOVSA-N	529.397	6.980	50	40	KKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408542211	JXYBQMLUUNHHCX-VYYCAZPPSA-N	519.645	6.806	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCc1ccc(C)cc1	408545218	ZZQZKCOXNNZXCC-UUYOSTAYSA-N	539.369	6.340	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCc1ccc(F)cc1	408567603	FUOXUDQMBXXLLU-PXNMLYILSA-N	543.311	6.097	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408639591	GASQHPRJVKGXRB-HNNXBMFYSA-N	688.005	8.794	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1	408648272	JWMJYJXGMSGANU-SDJAXVEPSA-N	763.266	6.539	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408658549	VBHXJAVUNDKEFP-WJNKUABFSA-N	766.226	6.712	50	40	KKGB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	408658995	VKAIMWMFJDYZKO-DMAQGEDHSA-N	659.158	5.020	50	40	KKGB	
O=C(c1ccccc1Cl)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	408689484	YGYJMLYORZAUCW-MSPXFKQSSA-N	645.573	5.438	50	40	KKGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1	408719892	OEOLCSPTUHKJET-HZUVFDMRSA-N	648.446	5.979	50	40	KKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(Br)cc3)cc2-c2ccc(-c3ccccc3)cc2)c1	408728003	ZAGXNLZQUBJDMZ-UZWMFBFFSA-N	535.445	7.041	50	40	KKGB	
COc1cccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1OCc1ccc(Cl)cc1Cl	408734775	DPNLBLGNYVRWBK-MHDJOFBISA-N	560.437	6.199	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408744197	JOAWMUKXERKHQR-ZDLGFXPLSA-N	546.248	7.198	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(I)c2)c1	408745629	UMCRGXCOXOZEHE-UNOMPAQXSA-N	512.322	5.863	50	40	KKGB	
N#C/C(=C\c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc2ccccc2c1	408760456	YWWYMPWXDIEKSL-SZXQPVLSSA-N	518.572	7.911	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(I)c1	408763594	TWUMWWPOMKRUBD-FYJGNVAPSA-N	609.261	7.332	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408791780	CJFRPUJZATZURC-FRKPEAEDSA-N	615.138	8.586	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccc(Br)cc1	408792056	HDVAYRMAAKHBIA-GZTJUZNOSA-N	530.191	6.475	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1ccc2ccccc2c1	408793906	GZVJTSNNUSUFBE-WGOQTCKBSA-N	555.472	7.688	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408809434	RNYCMHNOZSVISH-HYARGMPZSA-N	620.341	8.197	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(Br)cc1	408815750	UWGUISLEVQTEFF-XYGWBWBKSA-N	561.476	6.387	50	40	KKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)c4nc5ccccc5[nH]4)c3C)sc3c2CCCC3)cc1	408815963	IHXBETFHSUAXMG-QJOMJCCJSA-N	531.685	7.536	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408824856	AQJBUZCZDZQXIP-XJECJHNESA-N	705.458	7.306	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	408829583	KDTHTQPYAHXVQM-YLYVUXRMSA-N	745.401	7.708	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)Cc3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408831095	PMHRUQLRJTURQW-KBVAKVRCSA-N	570.498	5.979	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)cc1	408834752	VEUWIHXIDFVCSZ-ITYLOYPMSA-N	525.630	5.203	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408835062	XWTGIYRJGXBLBG-OVVQPSECSA-N	579.483	8.850	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1	408844314	CCFHSYYBWWEHOI-NVJOKUIPSA-N	668.123	7.214	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1	408853999	VIGJLFLCMPAEAC-MOHJPFBDSA-N	564.711	7.149	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Br)cc1	408878638	CLHDGSNPVDYFBR-DEDYPNTBSA-N	540.255	6.899	50	40	KKGB	
COc1ccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1	408878661	AFSCDLFJUUEFAV-OOIMYDLUSA-N	606.476	5.424	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Br)c(OCC)c2)cc1	408887654	QCWDFRXNYFSLLZ-DEDYPNTBSA-N	600.307	7.134	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408889626	IAAMDGWVQKRDSZ-XDHOZWIPSA-N	585.432	5.168	50	40	KKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1	408891624	UCNFFXQOPGIFTG-LDADJPATSA-N	512.349	6.343	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1cccc(Cl)c1	408894688	IRSSENUXKCNFQR-WOJGMQOQSA-N	501.797	7.170	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1C	408922212	FAYJVKTXBMJVHK-RGVLZGJSSA-N	572.830	6.776	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	408938110	KSGDFDWRSQTDPS-DPNNOFEESA-N	596.080	5.408	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1	408942070	FLDZMMNFBOKXMQ-MUUNZHRXSA-N	807.461	5.246	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1	408942736	RGZSVFUWKAVHHM-UVHMKAGCSA-N	585.307	5.106	50	40	KKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1	408956103	WCJGLJXFKYKKSW-UCQKPKSFSA-N	514.423	6.084	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccccc1Cl	408964203	BWCFNJLJZGTLAM-NVJOKUIPSA-N	516.754	5.465	50	40	KKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408978823	KLZOMCDFWCFNDQ-RLBGMPNZSA-N	556.460	6.040	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1	408986052	ZFECSTFOGYDHAY-MFOYZWKCSA-N	780.569	7.587	50	40	KKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	408995672	DDSZQTONFITDNO-FABQOPTDSA-N	662.493	5.719	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409001674	QFAXQDGELSNFAL-AUWJEWJLSA-N	636.982	9.477	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409016108	UORNSCBXKVLGEO-IURWMYGYSA-N	755.201	7.051	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409030040	BVCRYOFLWSSVFC-OHUYPAJKSA-N	601.419	6.988	50	40	KKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	409039747	DGQVUEHNMLIKCM-WOJGMQOQSA-N	558.354	6.340	50	40	KKGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC	409040520	YQIDPLDBBBLKRK-MUFRIFMGSA-N	561.461	6.101	50	40	KKGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1	409059280	VUSCQVOCHICTNL-KKMKTNMSSA-N	528.820	5.127	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409066339	ADGBGDMFBPYZDQ-HZHRSRAPSA-N	527.533	5.243	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1	409069496	LBIROJNCIAYUCY-QGOAFFKASA-N	512.971	5.061	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccccc1Cl	409087906	UYDGUMGKOSMVCQ-NTEUORMPSA-N	566.717	7.367	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(Br)cc1	409112488	DJBXITLQCYNMNV-DEOSSOPVSA-N	600.263	6.136	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc(F)c3)c(Br)c2)C2=C1CC(C)(C)CC2=O	409125557	AXRKRMBENUAUIC-VWLOTQADSA-N	554.460	5.550	50	40	KKGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409146204	KCGFVGMBXZVFRI-KPGMTVGESA-N	628.082	5.457	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1Cl	409153315	HQVHWRCOCWIRAH-QFDQHJFZSA-N	724.166	6.410	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OCC)c2)cc1	409162086	CNXXWHZKBWELBY-WCMJOSRZSA-N	585.444	5.063	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1	409165059	RUWDMRSVJUFZBQ-XAZZYMPDSA-N	707.363	5.484	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1cccc2ccccc12	409179342	RKXRYTQWYDGBTR-IFKIFHFHSA-N	597.674	6.960	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1cccc2ccccc12	409180413	RGLVCWDYWPXRER-YJJOPYADSA-N	592.611	5.715	50	40	KKGB	
C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409185363	KVTDOPSVMKQWQN-IWBJQXMWSA-N	548.668	5.867	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1	409186503	CXNUZMMEEJGCOW-AFUMVMLFSA-N	502.206	5.483	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc(I)cc4)o3)cc2c1	409187496	REEHNYILOPGVTC-CFRMEGHHSA-N	500.292	5.460	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc(Cl)cc1	409187801	UKXYKFCDWHEJJI-WQRHYEAKSA-N	503.621	7.508	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409195457	UTEJCCXJLAPWRU-YVLHZVERSA-N	538.269	6.699	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2Br)cc1	409215082	ZUKHCZMFTZYHBE-LGJNPRDNSA-N	503.849	6.232	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409217772	BNLLUYXYSYVSIA-UHFFFAOYSA-N	607.406	6.146	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc1OCC	409218035	CGTRTFBDABSNHU-ZVBVHJDKSA-N	622.634	6.027	50	40	KKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12	409220239	ZVBJFEHIWGQJND-QASNDGBQSA-N	596.086	6.389	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	409247084	GFANZMSUKGHPNE-MTJSOVHGSA-N	621.302	6.842	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OCc1ccc(Br)cc1	409255742	IPEMRUHHNRQKCO-DHRITJCHSA-N	588.387	6.226	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409256997	OORQRURFRVQTBE-CIAFOILYSA-N	550.409	6.455	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409270183	CWZXXWIIAWVIGV-NUJZUDFISA-N	605.860	5.742	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1OCC	409319460	GQBASRDDDPQEKN-MNDYBZJGSA-N	606.286	6.657	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)NC(=O)C[C@H]1c1cccc(Br)c1	409322674	LHXJGJXRLONTFX-AWEZNQCLSA-N	544.780	5.832	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2)ccc1OCc1ccccc1	409323458	PCKSDPGAMRIDTM-CAQPMQTCSA-N	588.458	5.818	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)[nH]c2c1	409374766	YUFNHHFEAMCOMA-MFOYZWKCSA-N	602.124	7.802	50	40	KKGB	
CCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(OC(=O)c4ccc(C)cc4)c(OCC)c3)c(-c3ccccc3)c2c1	409397001	DWOOEXQJPJABGI-UHFFFAOYSA-N	561.638	6.924	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl	409397047	FNZAYTHHHFBJAB-UHFFFAOYSA-N	576.411	7.273	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Br)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397731	NIAFSWJHMVQTJP-UHFFFAOYSA-N	651.344	8.286	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2	409397900	PHEZTMPXCFZIBL-UHFFFAOYSA-N	656.489	6.717	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C)c1	409399183	YFEMANLMSQNVJT-UHFFFAOYSA-N	665.371	8.594	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccccc1F	409402036	IXUZPDXSHRGXAI-WBIBEUCMSA-N	597.643	6.765	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccccc1	1529546104	CYEBPUBLFIXZFF-JWKLIRLWSA-N	642.778	5.278	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCc1ccc(Cl)cc1	1529548058	WKFWMDNEYVJJFJ-BTEHTESLSA-N	663.196	5.541	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(OCc2ccc(C(=O)OCC)cc2)c(Br)c1	1529549420	YMMBNERKDQVWRF-HCWKVSNUSA-N	709.619	5.090	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cccc(Br)c1	2057324	NMEBKPHKGFZTOL-FMFFXOCNSA-N	599.326	8.100	50	40	KKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1	2706077	MFKXGRJKDOUFDK-OKCVXOCRSA-N	573.472	5.552	50	40	KKGB	
COc1cccc([C@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CC(C)(C)C3)c1OC	3669589	KPWWRSHOXPVWIR-QHCPKHFHSA-N	528.678	5.735	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C\c1cccc2ccccc12)N/N=C\c1cccc2ccccc12	4706437	QOXULTXUMQBZSL-DQWRGTGXSA-N	506.650	6.714	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)cc2)cc1	13615215	HOCAVDDQQKNPFN-AJBULDERSA-N	527.646	5.304	50	40	KKGB	
N#CC(C#N)=C/C=C(\Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(Br)cc1	16400063	PJXLKUXNGSKXMQ-SDQBBNPISA-N	506.039	7.564	50	40	KKGB	
Cc1ccccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccccc1	20060572	CCDSXEYXTLPQSH-AJBULDERSA-N	507.615	5.647	50	40	KKGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1C#N	27519392	XZZOODYRRMMZTA-VFLNYLIXSA-N	517.383	5.006	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(N2CCOCC2)o1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	59249201	GGHNNMXOQFXSCG-NTFVMDSBSA-N	527.463	5.502	50	40	KKGB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1	59336333	JTINKGXTUQUHHS-YVLHZVERSA-N	502.785	6.387	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1	59887628	WBKSZESZJFBOOD-ALQBTCKLSA-N	626.562	6.701	50	40	KKGB	
FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI	95681752	HDJVNLHEEQBBJS-UHFFFAOYSA-N	724.033	8.727	50	40	KKGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1	97960473	VPHUIUSYIJSCBI-LJZVORNLSA-N	588.708	6.191	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1	97960787	RBXQMPNCPRUKKV-LHLOQNFPSA-N	574.478	8.128	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccccc2O)cc1	97970878	DHGWMLCHEBYPSG-UXHLAJHPSA-N	534.037	5.513	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	100123612	WSNOLABXWWZICK-OKCVXOCRSA-N	600.484	5.655	50	40	KKGB	
CC1(C)CC(NC(=O)[C@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)CC(C)(C)N1	100848511	ROTRKAINVNDRQV-NXXSPTCGSA-N	543.182	5.098	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C(=O)OCC)cc2)=C(C#N)[C@@H]1c1ccccc1Cl	101305141	VYWLTLRMBLLTDN-MHZLTWQESA-N	602.112	6.285	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)[C@H]1c1ccccc1	102783877	KPJALCWUDYJWRD-MGBGTMOVSA-N	571.702	7.313	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl	102933834	SZXWMUFBXDRFRH-LICLKQGHSA-N	589.773	5.986	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C(=O)O)cc1	103884515	RMWFWRVUHWYIOA-ITYLOYPMSA-N	586.486	5.711	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12	112264203	QKKVEVLVZGMGRB-OKCVXOCRSA-N	537.841	6.997	50	40	KKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(Br)C(=O)CBr)[C@@H]3C[C@H](Br)[C@]2(Br)C1	150362838	KPZJILDRZNNZHU-SHGPBYODSA-N	676.122	6.949	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F	150385334	FBGBZVILWNCVHQ-QNVXDBMFSA-N	637.511	7.150	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1	162430567	LSHWLCQRBISWOX-DPNNOFEESA-N	641.533	5.365	50	40	KKGB	
C[Si](C)(C)O[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C	169806617	KEJVZDCMLYTKNV-UHFFFAOYSA-N	568.595	7.890	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ccccc3)o2)c(C(=O)OCC)c1C	408546283	FWQKYHFLAGWMBV-LFIBNONCSA-N	588.501	6.635	50	40	KKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408567321	CXBZRIGAGCQVMN-JFLMPSFJSA-N	543.508	6.036	50	40	KKGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408616346	XVLVVIWWWARVLI-MZJWZYIUSA-N	530.806	5.169	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408640338	ASXSTAVFWDIDPX-OWLNSBLESA-N	622.741	5.137	50	40	KKGB	
Cc1c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)ccc(Br)c1Cl	408682347	GCRCXIXBKVMECH-QQGGCJSYSA-N	614.707	5.177	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCc1cccc2ccccc12	408710666	UPVQDJGWBBBAOW-KBVAKVRCSA-N	563.448	6.361	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1	408719877	NRQYEPZYADMLAB-MZJWZYIUSA-N	514.003	5.609	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1	408744161	DHEAJPFFWHMPIY-UNOMPAQXSA-N	554.340	5.123	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408745241	KTWXAEJBXGATCD-SXGWCWSVSA-N	658.636	6.813	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1	408745449	SIIAGYPLCHIQFJ-WQRHYEAKSA-N	546.248	7.279	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408761250	CWCZXWZOIROXIK-FYJGNVAPSA-N	555.450	5.147	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1C#N	408791431	XMYCABYEOBRDEO-YZSQISJMSA-N	507.590	6.209	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Cl)c2)c1C	408793272	DMHBEHMIMZCOPA-UDWIEESQSA-N	542.804	6.686	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)cc1	408796967	QMEAGAQZVBWWDW-RGVLZGJSSA-N	540.255	6.953	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408797529	SKINBJWTCWMWRR-LICLKQGHSA-N	559.747	5.977	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1	408798783	WXJQUGQIWLWGNG-RGVLZGJSSA-N	665.311	7.298	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1	408818177	PDUPBHKGBFFLMN-OCKHKDLRSA-N	648.251	5.773	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408823098	DPFLNJZSIYPUQO-QJOMJCCJSA-N	576.074	6.187	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	408838861	JJMWOKNVTTVGIP-ZISVIYDVSA-N	658.961	7.952	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2cccc(C(F)(F)F)c2)cc1	408839765	CFNRPTYIJIZVAI-OKCVXOCRSA-N	533.572	5.147	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408846291	IFYPMCWGEITYQQ-VYYCAZPPSA-N	538.354	5.845	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(F)c2)c(Br)cc1OCc1ccc(Cl)cc1	408851450	ZNNABBCIACJWHU-UVHMKAGCSA-N	505.771	5.983	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cc(C)cc(C)c2)cc1	408867156	JRBXVCONGPZEQH-OEAKJJBVSA-N	503.396	5.989	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Cc1ccccc1F	408877751	YHELWFLRRDPKAB-YBFXNURJSA-N	526.349	5.884	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1	408878983	CDDOKJJWKPZYST-CCVNUDIWSA-N	517.365	5.149	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCc1ccccc1F	408885765	AKJBNJOJVSRFEY-FYJGNVAPSA-N	531.381	6.875	50	40	KKGB	
COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OCc1ccc(Br)cc1	408891552	SHYLHFGQIGYMGQ-OGLMXYFKSA-N	504.384	5.591	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC(=O)c1ccccc1	408891746	URADSUMSDWSLSZ-MHWRWJLKSA-N	546.204	6.529	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2C#N)c(OCC)c1	408947459	NSFAIGWTSVEELB-PMERELPUSA-N	706.619	5.183	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCc3ccccc3C#N)ccc3ccccc23)c(OC)c1	408953759	MOMFOAUVZUNJOM-OPQHIAOESA-N	647.688	5.019	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)c(OC)c1	408954049	MSLXZVMLGKDYAZ-IUXXIWHHSA-N	849.420	5.075	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(OC)c1	408956988	SCDUIEKJNQAPAU-RZNGARSMSA-N	685.959	5.410	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1cccc(C(F)(F)F)c1	408962307	HAJGQBWNLGYLLQ-VPUKRXIYSA-N	574.166	6.712	50	40	KKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(F)c1	408965852	JDXQBXYTKRXGRP-IPBVOBEMSA-N	521.173	6.110	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1	409000763	FVCLQEAXUSFLPV-CTXJTIKKSA-N	540.668	5.103	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c3ccccc32)c1	409001204	VJBPZJMXWTXHEV-MMFILIDRSA-N	584.723	8.887	50	40	KKGB	
COc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409001337	PFNJLGRBKDEQIQ-OWNKRRAQSA-N	720.456	8.595	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	409001892	XKTYEQMEPHUOEO-RYYXGZFZSA-N	804.366	10.995	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	409005712	KEVNUUAPFSVDDV-DPNNOFEESA-N	596.080	5.408	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)c2ccc(C)cc2)cc1	409007486	WSUUWGDBCUMVRL-UNGVOMFMSA-N	534.568	5.606	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409015561	RMSLIRSOCKSFGL-FFKGLWRNSA-N	633.711	7.282	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	409043661	SWEHHHNSRPJPFP-RGVLZGJSSA-N	541.356	8.290	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1cccc2ccccc12	409047792	UVZLAFKMNZRGFX-BBUXEPKYSA-N	677.624	9.211	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)Cc2c(Cl)cccc2Cl)cc1	409052181	CAIVFLKMIPXHOK-UVHMKAGCSA-N	524.857	5.296	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1)S(C)(=O)=O	409136451	TVSJUNJXLPMRQQ-FDAWAROLSA-N	593.547	5.895	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	409182511	LWXOHWHWNNSBRD-LGJNPRDNSA-N	519.770	5.086	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)cc2c1	409187281	OIYWAIONOWBXDS-MUXKCCDJSA-N	568.380	5.854	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)c2)c1	409217748	AZYONMUYUASEFP-UHFFFAOYSA-N	590.861	6.646	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409227642	ZTIFQYQDHCCHOJ-XDHOZWIPSA-N	599.400	5.701	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1	409237909	XWCOCNROBDIOKE-VBNMEBLOSA-N	585.252	6.483	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1Cl	409259153	XUCYVAFVHYMTMA-VHFSBPNMSA-N	705.034	8.150	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C	409261312	CURUBWMKOWXYAZ-ODLFYWEKSA-N	504.930	5.428	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)ccc1OCc1ccccc1	409313866	JGZMMMZOBPAEGU-BJUCDSOZSA-N	614.323	7.686	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC	409319629	JKOCERGSFVPUAY-ZMFRSBBQSA-N	636.355	5.080	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OCc1cccc2ccccc12	409354492	GLSVRJLCHRJARO-KPGMTVGESA-N	550.428	6.281	50	40	KKGB	
CN(C)c1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccco3)c(-c3ccccc3)c2c1	409394410	ACXCJOFAYHAVDB-UHFFFAOYSA-N	650.327	7.002	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2-c2ccccc2Cl)cc1	409395749	RGJITVIRVKOUGM-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(I)cccc2c1-c1ccccc1Cl)c1ccco1	409397365	JCEXSIDVAZTJEF-UHFFFAOYSA-N	609.807	6.669	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398903	WHXUYOFXAYPEKR-UHFFFAOYSA-N	629.025	6.405	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	1529544718	MKWJDMUGIQAADR-JYALLGCPSA-N	627.550	5.457	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12	1529547329	KOCINOUPSBLDPJ-OUIUOFGZSA-N	630.170	5.536	50	40	KKGB	
FC(F)=C(F)OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)SSC(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F)C(F)(F)F	1565683403	TVPGQWQQYNGYCP-OLQVQODUSA-N	790.232	10.517	50	40	KKGB	
C[C@H](CCC(=O)NN=C1C(=O)Nc2ccc(Cl)cc21)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	1889246754	UKBJVLJEAXCAFE-ODFOSAQGSA-N	570.174	5.519	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)ccc1OCc1ccccc1	1882057	SYDXQNDKRJMEEZ-HNSNBQBZSA-N	564.667	5.524	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccccc1Cl	1950333	PPFGRHDLRIRUBN-RPPGKUMJSA-N	552.650	6.217	50	40	KKGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1c2ccccc2cc2ccccc12	2232803	CXABZPGVXWYLMT-DPNNOFEESA-N	549.055	6.588	50	40	KKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)C3=C(CCCC3=O)N2)c(C)c1	2310975	ZBGKIQNLBVVBSV-WJOKGBTCSA-N	549.696	6.683	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccccc1Br	3116469	HQPWHHNITQHNSH-STBIYBPSSA-N	517.379	5.523	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccccc3F)cc2)sc2c1CC[C@H](C)C2	6167153	BVPUAGOTBAZPCA-ZALOIUACSA-N	551.640	5.359	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	6924858	BVZMXPYUNNBVOE-FDAWAROLSA-N	514.965	5.911	50	40	KKGB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccccc1F)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	8426417	XQHJBDJTSLYBOM-UPQLPLKHSA-N	593.507	8.657	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OC(C)C	8812932	BXRIDHWRBRNPBF-FOKLQQMPSA-N	514.214	5.170	50	40	KKGB	
N#CC(C#N)=C(C1CC1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12	9380742	VJZCKEQNVPBUPV-JIBNBMRDSA-N	502.017	6.961	50	40	KKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	15911596	RKMMDBGGEZWHMW-XDJHFCHBSA-N	502.546	6.408	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccc(Cl)cc2Cl)cc1	33355081	NRASHLRQNVXTEM-WCMJOSRZSA-N	606.528	5.368	50	40	KKGB	
COc1ccc(CC(=O)N/N=C2/C(=O)N(CN(Cc3ccccc3)Cc3ccccc3)c3ccc(Br)cc32)cc1OC	33358635	DHGCIWZTSZPNOT-WIKZRCHHSA-N	627.539	5.536	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc(C(=O)O)c1	97960847	OCOSRGXSCMROMI-XKJRVUDJSA-N	598.315	5.360	50	40	KKGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c1O	97961082	VJRVVJJYNOQHPV-IBSSICKUSA-N	524.253	5.477	50	40	KKGB	
CCCCc1ccc(/N=C(O)/C(C#N)=C2\S[C@H](Cc3ccc(C(=O)OCC)cc3)C(=O)N2c2ccccc2)cc1	97968694	OFVAYDRHGRBURF-GHRJURJJSA-N	553.684	6.920	50	40	KKGB	
COc1cc(-c2cc(C(=O)N/N=C(/C)c3ccc(C4CCCCC4)cc3)c3ccccc3n2)cc(OC)c1OC	97980766	YZOWKJOPQYBNMS-IPHFVPNQSA-N	537.660	7.129	50	40	KKGB	
Cc1cc(C)c(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5Cl)cc4)CC(=O)N3C2)c(C)c1	98048449	UWMTWVLGEFPCQA-RUZDIDTESA-N	530.093	7.064	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	98048751	OJCDDXQUKVEDJU-NDEPHWFRSA-N	575.090	6.069	50	40	KKGB	
CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(C)=O)=C(C)N2)sc2c1CCCC2	98048883	OMVUYXUQCHVOEN-DEOSSOPVSA-N	570.136	6.114	50	40	KKGB	
CC(/C=C/c1ccccc1)=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100037882	OLBLEKPEMHQGKI-AMEDAILKSA-N	506.262	5.931	50	40	KKGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)cc2)S(C)(=O)=O)cc1C	100119760	KUVQYZJDZIXVKC-ATZGPIRCSA-N	597.568	6.748	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1	100958708	IMRVDJLEFOHREH-FDAWAROLSA-N	566.079	5.387	50	40	KKGB	
CCOc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(\C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1	101049376	JPYXLBMEXJCDOS-FWNOPPMYSA-N	624.162	7.632	50	40	KKGB	
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)CSc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1	102436676	PNTLLWRUWWMFSB-JDPSAECDSA-N	573.166	7.262	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)[C@@H](c3cccc(Cl)c3Cl)C3=C(O)CCCC3=N2)cc1	102888653	BTVSMEJWMYRQRN-AREMUKBSSA-N	553.555	8.957	50	40	KKGB	
CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(Cl)cc1)N2	102975348	KNUBFFHFWORXOG-MZGZKICPSA-N	543.472	7.464	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	104953715	RCNUDLYOLIRMIF-RQZCQDPDSA-N	536.242	7.824	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCc1ccc(Br)cc1	107988074	QVIAOJPOIUMTBD-KBVAKVRCSA-N	596.319	7.035	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OCc1ccccc1	109018327	SLMROGKFKDNWAT-YBFXNURJSA-N	548.462	6.394	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1	112254670	KIXFSFJMGJNEMG-QJYRWMSASA-N	620.503	5.353	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)cc1	150376967	UMFHGLLTJKXOSZ-UCMJSZAQSA-N	650.599	5.199	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795306	KJNWQEVLFAXIJX-OCAPTIKFSA-N	702.046	8.600	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795307	KJNWQEVLFAXIJX-HTQZYQBOSA-N	702.046	8.600	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c2ccc(C)cc2)cc1Br	198306302	JOHPLTREYFBDFA-BIZUNTBRSA-N	636.524	5.331	50	40	KKGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1)N2	229977992	VXGPQPGYHSWFFF-FRTMRTDSSA-N	513.446	7.489	50	40	KKGB	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O[Si](C)(C)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C	263596207	FKAPETDRFJWMCD-BJJHYIHHSA-N	633.002	9.522	50	40	KKGB	
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]21CCN[P@@](=O)(N(CCCl)CCCl)O1	301054508	XHETZCWARGANIQ-RBLFSVHZSA-N	515.462	6.188	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408538481	NONXOVYRLNCPPZ-QFEZKATASA-N	658.505	7.468	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1cccc2ccccc12	408549252	RKQXIGIXNFZEOB-YUMHPJSZSA-N	520.426	8.407	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550399	DJEQKKSLGUNWTI-RQZCQDPDSA-N	636.273	6.478	50	40	KKGB	
Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Br)c3)CC2=O)cc1	408611323	VWCHTXKDNIBFNM-GOSISDBHSA-N	528.834	5.486	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408612789	YSNAZLVIYBGNSK-CCVNUDIWSA-N	516.381	5.069	50	40	KKGB	
O=C(CSCc1ccc2ccccc2c1)N/N=C/c1ccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)cc1	408728120	VUKZVQVGBWKJPK-CQFWSYKGSA-N	590.774	6.760	50	40	KKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408743619	HGHMQCNLAJVMMY-NVMNQCDNSA-N	618.225	6.395	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408754859	OPVWCIVXCSLLLF-MOSHPQCFSA-N	523.397	6.460	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(I)c1	408776866	RKEUAPGYJOESSC-STBIYBPSSA-N	615.415	5.354	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)c2cc(Cl)ccc2C)cc1	408783233	LJRKEGUGYQFBPQ-VULFUBBASA-N	534.863	5.065	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408790442	WFPLFIFCFGXGHE-LZYBPNLTSA-N	622.188	6.226	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1	408791038	SPOCSTOCEFRHOI-ZVHZXABRSA-N	544.392	6.878	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(I)cc1	408791074	STHLXXOCSNSOBX-WOJGMQOQSA-N	637.699	7.230	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1C	408793770	GEUABDIKYQRLEL-VXLYETTFSA-N	530.249	7.497	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1	408816638	JWZZYPZFXWKMMM-JMIUGGIZSA-N	555.812	5.612	50	40	KKGB	
CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408822048	AFOYPAWDBGQIET-RCCKNPSSSA-N	521.411	6.371	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12	408825275	RUJFESYBFGYJQE-JVWAILMASA-N	657.981	9.902	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	408825651	DMZGVTJGYPTWGT-STKMKYKTSA-N	619.541	5.746	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccc(C(C)C)cc2)cc1	408827744	GQPRLBVYSKWQTR-RWPZCVJISA-N	518.466	5.771	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408838961	KVPWPUKFTBEWNW-MHDJOFBISA-N	677.920	7.461	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408840454	BYCJPZSKHGXEQN-OKCVXOCRSA-N	543.988	6.383	50	40	KKGB	
O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408845809	RUHRLZLATJKJDH-LUOAPIJWSA-N	511.390	6.353	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1Cl	408846716	RPEGUFPYSKCCSO-QJOVZPHJSA-N	584.503	8.111	50	40	KKGB	
CCOc1cc(Br)c(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC	408846911	ZOZWEQKZDAUGJM-LUOAPIJWSA-N	557.392	5.768	50	40	KKGB	
O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408848289	VPOWPFMWAKTJKV-TVHRLVRESA-N	504.955	6.144	50	40	KKGB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1	408850121	GHHQVMIHNYLXIN-OJYCWLPVSA-N	565.073	7.064	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cc2cc(Br)ccc2o1	408852033	QECAROCQFFCRCC-JEPNHJGPSA-N	639.347	8.846	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408861440	AKPSHQGYWBJWGL-MZJWZYIUSA-N	564.889	5.074	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccccc1	408867522	KGLUZDHIWBHJMO-DPNNOFEESA-N	656.986	6.420	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OCc1ccc(C)cc1	408879039	DYDQKWSGLDDDNL-LGJNPRDNSA-N	579.232	5.714	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1	408950171	RQKRPQFSVAOHRI-NDEPHWFRSA-N	757.576	5.342	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1C	408953130	WVTRRLZTODGWDG-UMSFTDKQSA-N	720.679	6.865	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c([N+](=O)[O-])c2)c(OC)c1	408956510	QRFUWRXKVFEONL-IRWRTZFPSA-N	775.407	5.428	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408970667	JWVWZBLNJUZFTM-XKJRVUDJSA-N	578.246	6.862	50	40	KKGB	
COc1ccc(Cl)cc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408974433	ZAXWPOABLDVSNM-TYXQBPODSA-N	548.854	5.301	50	40	KKGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCc1ccccc1C#N	408979635	NNQTZBDLTBERLQ-OGJVGATRSA-N	582.682	5.014	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408981352	ANGCUGXXMQJHRC-JMIUGGIZSA-N	569.839	6.633	50	40	KKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408981436	BGLIIXCFQFVYRQ-ZDLGFXPLSA-N	573.774	6.286	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c2ccccc2OC)cc1	409027592	MHNIVSHEZMHJNK-FDAWAROLSA-N	625.545	5.219	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409041265	UJFAQEZYVQDGBI-ATZGPIRCSA-N	573.505	8.203	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1Cl	409127137	GRYJNZUQVCTPCD-NRFANRHFSA-N	515.791	5.505	50	40	KKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	409145665	PGHYCQJHVJHPOD-UVHMKAGCSA-N	611.128	6.255	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc(Br)cc1	409183536	CSWIWEQGESBGIY-WQRHYEAKSA-N	548.072	7.617	50	40	KKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3Cl)c2)cc1	409219387	MIXZFFSWEWGNOS-UHFFFAOYSA-N	704.202	8.062	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	409222469	DETZFALEUZSDSC-RFXCUOOMSA-N	670.482	5.195	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	409247423	CDBGFGXNLLNJQE-HQDYHJHZSA-N	636.930	6.862	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccccc1	409247926	IQFBLVKYCLHMNX-IWEBCOIVSA-N	668.700	6.913	50	40	KKGB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)c1	409255527	LSHULGVKLQOAFD-JAIQZWGSSA-N	597.307	6.700	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)cc1Cl	409267612	OOSIKCKPJBTANE-APSNUPSMSA-N	638.143	7.390	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)ccc1OC	409305623	WGMDSULYJNEZBO-FDVSRXAVSA-N	517.409	6.142	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)ccc1OCc1ccccc1	409310158	RIWDKAYQGCTRBF-HQDYHJHZSA-N	670.931	7.274	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1OC	409310477	BJJSBFYFAMCUIP-VYYCAZPPSA-N	562.258	5.962	50	40	KKGB	
CCN(CC)c1ccc(/C=C(/C#N)c2cccc3ccccc23)c(OCc2ccc(Cl)cc2Cl)c1	409311412	FYWHEKZIMHMVQT-JLPGSUDCSA-N	501.457	8.636	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc2c(c1)OCO2	409363874	VOCNJEJEXYHDHX-KIBLKLHPSA-N	577.185	5.191	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409364975	RVXJQDCXUGQXER-GZTJUZNOSA-N	571.346	5.002	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(I)cc4)c(Br)c3)[nH]c2c1	409372257	DCDPMWVUQHBCHR-WQRHYEAKSA-N	570.228	6.882	50	40	KKGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)oc12	409378663	RGASRUMZTWKMEC-XKJRVUDJSA-N	574.790	5.778	50	40	KKGB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC	409381232	SLDLPTTYRSWLKV-NDENLUEZSA-N	519.985	5.537	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409381616	HWUGDXRZLNCRAD-WQRHYEAKSA-N	540.403	5.964	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1cccc(C)c1	409384338	BKEVZZYAYCMEHC-UVHMKAGCSA-N	509.971	6.123	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)cc(OC)c1OC	409394634	DBBJLEPLKPKOGZ-UHFFFAOYSA-N	696.476	7.625	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3Cl)c2c1	409397749	NOLPCHJRYYGUGM-UHFFFAOYSA-N	592.866	7.787	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)cc3)o2)cc1	409400412	CVVLZXBHCASKMY-FZKWRIDDSA-N	554.046	7.262	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(=O)Nc1ccc(F)cc1	409404251	PNURHQHSHMCCNS-XFDYYPNTSA-N	650.707	6.924	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)N4CCOCC4)c(Cl)c3)o2)cc1	409405688	UNVAVIMXTZRHSU-DLCNMLRHSA-N	625.509	5.574	50	40	KKGB	
N#CC1=C(N)Oc2cc(OC(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)ccc2[C@H]1c1ccc(F)cc1F	606422483	VFBJYCNPFKOFRX-MUUNZHRXSA-N	544.941	6.635	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1	1529548992	RQKRPQFSVAOHRI-LAXCASJBSA-N	757.576	5.342	50	40	KKGB	
COc1ccc([C@@H](N[S@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)cc1	1857795065	JSJZIHJKTOOMLL-BVGRYSDNSA-N	501.632	5.595	50	40	KKGB	
CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccccc3F)cc2)sc2c1CC[C@@H](C)C2	1785255	BVPUAGOTBAZPCA-RZQDWPBMSA-N	551.640	5.359	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1	6444305	LBPCXOXADNPBHK-MUUNZHRXSA-N	544.076	6.608	50	40	KKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(COc4ccc(Br)cc4)o3)o2)cc1	8454798	TWTLDZQFSGZOJJ-MBTHVWNTSA-N	537.366	5.822	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1cccc(N/N=C/c2ccc(Br)cc2)c1	12563953	HANAATNZUMALEE-GUJRAXHGSA-N	500.194	5.422	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C	13525102	UXELRRXXQXXZJV-XOCGWFMHSA-N	534.632	5.174	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc(Br)c1OCc1ccccc1Cl	28217815	NLFPWKVOCKONHL-VATWTLTGSA-N	517.807	5.528	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	58915038	NADSUVPSMLIKFH-RDRPBHBLSA-N	521.042	5.093	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1	59233155	XVROWPRLWHWQLZ-ZHZULCJRSA-N	507.384	5.981	50	40	KKGB	
Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1cc(Cl)ccc1C(=O)c1ccccc1	82182132	SCQMCFDGEKDVMK-SFBZPLGSSA-N	647.095	7.297	50	40	KKGB	
CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2cc(OCC)c(OC(C)C)cc2Br)s1	97965806	MHQAROBZMOBMQH-CXUHLZMHSA-N	535.460	5.981	50	40	KKGB	
Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1	97971097	CKXYYYMREBHASG-RWPZCVJISA-N	528.834	5.859	50	40	KKGB	
CCc1c/c(=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3	97971103	CDMIRRJXRZLJEW-NLQZMYRNSA-N	545.680	6.221	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCc1cccc2ccccc12	100231033	UJZMKWVGOSSGKV-UAWZKIJCSA-N	568.455	6.308	50	40	KKGB	
N#CC1=C(SCC(=O)Nc2ccccc2)N[C@@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl	100843617	RIVOCWVLNAQVDC-RQTOMXEWSA-N	578.037	5.945	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OC(=O)c1ccccc1	102932784	HYTNMEPENJDZHM-LICLKQGHSA-N	552.337	5.226	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccccc1	102933513	HXJYYEKISMBZDI-RQZCQDPDSA-N	524.327	5.196	50	40	KKGB	
N#C/C(=C(/O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1	102942125	PKNHAUJQHSSNRQ-IZHYLOQSSA-N	517.511	5.740	50	40	KKGB	
CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)COc3ccc(Cl)cc3)c3cc(Br)ccc32)C1	103861929	HFLOZBHUTHHYSO-NXDNSPLXSA-N	573.919	5.207	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1cccc2ccccc12	105511520	FDTKTNBFPAKJMP-QLQYKETESA-N	555.634	6.436	50	40	KKGB	
CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341764	LTXUJLIAJJNKBD-MRXNPFEDSA-N	1020.420	15.457	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1	150407083	BMFYVIKBNNXXIC-AREMUKBSSA-N	628.379	7.462	50	40	KKGB	
CCOc1cc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2OCC)ccc1OCc1ccccc1	408537198	CRNVUSUCMSKUFO-YSMPRRRNSA-N	628.081	7.749	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC	408538916	RGJISDZWFNDWDO-OQKWZONESA-N	543.502	7.531	50	40	KKGB	
CCOc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccccc1	408540199	ONXZLCHJBYATML-TZRCHIKKSA-N	709.637	8.747	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccccc1Cl	408543125	PFRSUGLGQLWZBU-NVMNQCDNSA-N	588.785	5.776	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(Br)cc1	408553347	VGSBDVNOVWQLJD-VIZOYTHASA-N	659.987	8.363	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408592451	YHFHWVZWKCLVLC-BRJLIKDPSA-N	518.751	5.362	50	40	KKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	408598994	NFGKMXWEYJMXTE-VVEOGCPPSA-N	613.177	8.159	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	408638469	COWOVWOOFIDAKB-VCTPWBKUSA-N	756.483	7.817	50	40	KKGB	
CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	408652571	PCGUMWUDKWYFAX-CBDMQDTOSA-N	622.741	5.137	50	40	KKGB	
Cc1ccccc1C(=O)Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1	408682192	KFDFPLBITDELQK-IAPPQJPRSA-N	542.429	6.792	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1)Nc1cc(C(F)(F)F)ccc1Cl	408683220	HRKRJYONHNHSSU-AHCXZYCDSA-N	577.770	5.269	50	40	KKGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(Br)cc1Cl	408687440	OUQWLHSKBKQWQR-VQHPVUNQSA-N	588.669	5.012	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	408725257	IZEJAWXJNBHROW-MFOYZWKCSA-N	542.773	6.144	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1OCc1cccc2ccccc12	408756941	YKCBBPJOWPSZQL-IWIPYMOSSA-N	569.455	7.328	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408768469	WXFLVTLWDUVRDA-UNOMPAQXSA-N	502.483	5.857	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408789308	ITVFYQWZBZDIAR-VXLYETTFSA-N	515.824	7.479	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	408790750	YFZLYBTZNICQGI-DEDYPNTBSA-N	521.957	6.170	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408791410	XGZLNLYJYOOQSH-DJKKODMXSA-N	515.824	7.397	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408796805	ZFAAKHFKCGDCOZ-KEBDBYFISA-N	536.382	6.107	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	408804027	CDZXSCZFNCZSAS-KGENOOAVSA-N	531.837	7.689	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408839175	OHSGJKLOLLMCSZ-HBHSWBPBSA-N	680.169	8.298	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)c1	408841667	GMHJPAJWMCSNBF-AABVJFSESA-N	691.947	7.769	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)c(Br)cc1OCc1ccc(F)cc1	408842649	AGRPNTSGBVRYNE-MZJWZYIUSA-N	501.352	5.338	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(C)c(C)c5)c4C)cc3)cs2)cc1	408847555	STXLPLWIHQLOIU-DPNNOFEESA-N	533.701	7.650	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1O	408849007	YIUBNPFFXBSGKH-KKMKTNMSSA-N	557.857	6.448	50	40	KKGB	
CCOc1ccc(NC(=O)N/N=C\c2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)cc1	408856062	HYLJMUQKELJQMW-MXAYSNPKSA-N	534.252	6.173	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cc(C)cc(C)c2)cc1OC	408877460	RREIPSDTSXQLPE-HNSNBQBZSA-N	632.695	5.153	50	40	KKGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1	408880570	JTWMBKFSAZZLAQ-ZCTHSVRISA-N	548.064	5.573	50	40	KKGB	
N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408887076	NRNRFUCAPCERAR-XNTDXEJSSA-N	502.741	6.680	50	40	KKGB	
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2OC)cc1	408892195	XTDZUFPJNHOMPL-KGENOOAVSA-N	512.949	6.275	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(I)c1OCc1ccc(F)cc1	408924952	PRVQENBKHBUHJS-LZYBPNLTSA-N	607.763	6.125	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12	408946539	AMRMBOWYIHCBDT-HMAPJEAMSA-N	500.396	5.775	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2cccc(C)c2)c(OCC)c1	408954162	YQORNZABBJQTBO-PMERELPUSA-N	651.185	5.511	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	408963692	OMTZAUOPSLCBQP-FJEPWZHXSA-N	513.472	5.694	50	40	KKGB	
CCOc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	408964557	VDFQWMNADVMDQC-UREUMPLTSA-N	558.462	5.046	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCc1ccc(Br)cc1	408970684	BXXZQSPBPVNEDU-MWVBGNBESA-N	610.549	5.795	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccccc1Cl	408973061	YDUIXUPIQVEWOJ-DSIIPFKSSA-N	675.053	7.802	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408994841	JVNZWPOWKCLBAG-SXGWCWSVSA-N	659.589	8.614	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408998079	HXZXBMYVVVSZJO-SXGWCWSVSA-N	636.089	9.189	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2ccccc2OC)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409010500	KTEFZNLGBDNZMM-DBSPGSINSA-N	611.739	6.108	50	40	KKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1OC	409010900	DOIXRDFEKILKIH-NUGSKGIGSA-N	577.600	5.625	50	40	KKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCOc1ccc(Cl)cc1Cl	409012452	IEBCJWANXSSQCZ-CUSSKCLJSA-N	602.518	6.195	50	40	KKGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccc(Br)cc1	409016486	UHBGOHGCWICZOO-JFLMPSFJSA-N	569.308	5.140	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1	409021726	VJEWAOOBTIITEL-NVJOKUIPSA-N	548.220	6.854	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1cccc(Cl)c1	409034092	GOZVCBFZDAZWBP-XZYGTATASA-N	570.476	7.950	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1	409044194	UDLDSCVYYMYQTM-VCHYOVAHSA-N	542.227	6.350	50	40	KKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1	409079637	LLOOADGMQZAFPQ-LZYBPNLTSA-N	536.293	6.936	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1	409084998	YCBCZONHYXKRCK-LFIBNONCSA-N	513.428	5.969	50	40	KKGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409117945	MEBBOOFSGPOYNM-CCVNUDIWSA-N	522.429	5.036	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1Cl	409125054	BTPBVAUXLLOFNP-KCSSXMTESA-N	689.959	5.878	50	40	KKGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OCC)c2)cc1	409159034	MJKIUOLWHRKNBX-VWJSQJICSA-N	711.340	5.668	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1	409183308	ASBHVBPQQRRKDY-AABVJFSESA-N	711.849	7.343	50	40	KKGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl	409184752	MTVSRASVCJXKTB-XKJRVUDJSA-N	582.347	7.035	50	40	KKGB	
N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1C#N)c1ccc([N+](=O)[O-])cc1	409203682	XEGZFIGAAKZZEE-OCKHKDLRSA-N	633.183	6.319	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2C)cc(C)c1Br	409205880	QEIGZAMXJCGSCX-SRZZPIQSSA-N	506.400	5.426	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409211969	OXWOYAMVVIJZQC-UVHMKAGCSA-N	578.872	6.231	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1	409226199	PQMXARNWLXXBAN-UHFFFAOYSA-N	669.757	7.409	50	40	KKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)c1	409227401	YGWKRUQOSZDRIX-WNYFKVBNSA-N	627.451	6.301	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NCCCc1ccccc1	409232737	PEHUSNMWTIXCBM-BKUYFWCQSA-N	554.828	6.246	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	409242387	RPLBLIUCAFNDHU-MLPAPPSSSA-N	576.163	5.718	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCc1ccccc1	409242833	PGTDPTPISFKGDW-JVMBGAFUSA-N	552.412	6.053	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409243533	SDMRIVHYOXIFJB-MFOYZWKCSA-N	566.292	6.574	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409313744	QUSPSGZBEMPXCF-APTWKGOFSA-N	553.615	5.373	50	40	KKGB	
CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C)ccc3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409314819	HPGYHNPGESXDJM-FCHUYYIVSA-N	562.475	5.119	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1OCC	409323846	RGQQUOLCERXFFV-LQNQUEJISA-N	639.952	6.220	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)cc1OC	409335349	VZHGDEMWCBGVBF-UHBFCERESA-N	557.416	5.903	50	40	KKGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccc(Cl)c1Cl	409369284	JUJSFNHINWVQEZ-FXMZOFOKSA-N	624.171	6.404	50	40	KKGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2)cc1	409395089	JSUDOIQWTSATDF-UHFFFAOYSA-N	598.453	6.598	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)cc1OCC	409396180	WWVKAPPIIWWZFO-UHFFFAOYSA-N	685.962	7.903	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(Cl)cc(Br)cc3c2-c2ccccc2Cl)c1	409399208	YJMOGJRXNJMXQU-UHFFFAOYSA-N	637.317	7.896	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4C#N)c(Br)c3)o2)cc1	409407193	YZSUSBCMHIIIRJ-AEVGBRMKSA-N	657.952	7.897	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	1529548329	CRVLXHYSLXTDTJ-DLVDTJDKSA-N	797.499	6.461	50	40	KKGB	
COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)NNC(=O)c3ccc(C)cc3)c2C#N)cc1	2064013	RCUQLYZHIIUTQF-UHFFFAOYSA-N	508.603	5.158	50	40	KKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	2312320	FXCFWGJXPOZGHN-PMERELPUSA-N	535.669	6.375	50	40	KKGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1	4018590	AJBRDUIHLJKFNW-ZCNPPDOCSA-N	645.941	6.309	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	8451626	OZVYGQIUERSUOE-OCSSWDANSA-N	578.518	5.522	50	40	KKGB	
CCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCCc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1	12273786	SMTDFPJMAXQKNO-DBJYNHDPSA-N	511.647	5.043	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(Br)cc1	20240645	KIZKBNDIGAIJST-MWAVMZGNSA-N	504.472	6.058	50	40	KKGB	
Cc1cccc(C(=O)Nc2nnc(SSc3nnc(NC(=O)c4cccc(C)c4)s3)s2)c1	59387003	CETKVRTXCSYODK-UHFFFAOYSA-N	500.656	5.310	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)c1C	59858241	DHPVGLURICCUHI-HNSNBQBZSA-N	605.116	5.320	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl	97960933	OZDIWPRMGUZVMG-JBZNKQRISA-N	646.574	9.470	50	40	KKGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cc(Br)ccc3F)nc3sc4c(c3c2=O)CCCC4)cc1	97968908	TWMPRQKKNCNNNF-DBFSUHOCSA-N	585.524	5.778	50	40	KKGB	
Cc1nn(-c2ccccc2)c2c1P(c1ccccc1)c1c(c(C)n(-c3ccc(I)cc3)c1C)C=N2	97983460	KJRRKIMUBNQMTQ-UHFFFAOYSA-N	586.417	6.015	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	98043579	ATSYGMWCLWXJMJ-NDEPHWFRSA-N	544.076	6.460	50	40	KKGB	
N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	98048465	HKIGZWYPOFJHCZ-XMMPIXPASA-N	522.457	6.792	50	40	KKGB	
Cc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(F)(F)F	100130003	FEKVTALJQVFOJZ-KMUKQRDJSA-N	617.093	6.150	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(Cl)cc1Cl	100253227	UHVAZRCZNPTVNV-XODNFHPESA-N	528.348	6.389	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(C)n(-c4cccc(Br)c4)c3C)cc2)CC1	100290308	YHOJTHUXOGIHKP-KEIPNQJHSA-N	600.561	5.951	50	40	KKGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c2ccc(C)cc2)cc1	100380203	MKYKOYHOZJXSIK-ZCTHSVRISA-N	560.745	5.778	50	40	KKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(O)(c1ccccc1)c1ccccc1	100451118	FZBTVVGEHMWLJB-JBFMKSPFSA-N	626.554	7.960	50	40	KKGB	
COc1ccc(NC(=O)[C@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1	100848676	DHJDHNVEPNKHMY-DQYPLSBCSA-N	510.064	5.320	50	40	KKGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)cc2)cc1	100872936	IIGKMHQKEXVYPT-KOEQRZSOSA-N	534.641	5.775	50	40	KKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	100993326	PCGMZCLUVBLMAA-DOMIBPRUSA-N	522.457	6.675	50	40	KKGB	
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	102808717	FLQJFEPUAJGMPI-AREMUKBSSA-N	580.632	6.930	50	40	KKGB	
CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341361	ARTIJIILMATBNO-SECBINFHSA-N	622.194	8.915	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1OC	150474829	MPEGKWLMBNMHTK-FZKWRIDDSA-N	643.593	5.802	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Br	408538593	OZUJQRVEWHBRQH-XZYGTATASA-N	718.943	10.235	50	40	KKGB	
CCOc1cc(COc2c(Br)cc(/C=N\NC(=O)c3ccc(C)cc3)cc2Br)ccc1OCc1ccccc1	408540811	WBLLXUAYHQRGMC-HQDYHJHZSA-N	652.383	7.841	50	40	KKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1C	408567047	KPCDHEZJTOINQN-XODNFHPESA-N	564.705	6.754	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408579185	DILSYMXTYLEJRH-XDHOZWIPSA-N	579.843	6.484	50	40	KKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408579752	JXZYWBSKWBUHCP-OVCLIPMQSA-N	622.169	6.735	50	40	KKGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	408637533	AFYJBXHJIBJTGI-AGRFSFNASA-N	714.065	6.806	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408654376	QKCYELUDJLHINN-PTGATOOUSA-N	793.690	6.340	50	40	KKGB	
CCCCCCCN(CCCCCCC)C(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)N(CCCCCCC)CCCCCCC)cc2)cc1	408720780	ZIBIFHNOXMGCAU-UHFFFAOYSA-N	765.329	11.994	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1OC	408728706	RQFWAKONEQMWSF-BIZUNTBRSA-N	578.090	5.825	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1	408744304	KHMFKZKCOSJMDN-WQRHYEAKSA-N	682.150	7.340	50	40	KKGB	
COc1cc(C(=O)N/N=C/C2=C(C)[C@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)ccc1I	408748171	ZMDBSJJNPFLDOW-NVNXYZKKSA-N	578.450	6.655	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)ccc1OCc1cccc2ccccc12	408758868	SVRSJPATPOZKQS-PXLXIMEGSA-N	513.391	6.736	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)c(C)c1	408788109	IKHUMXHXYCUGQB-VXLYETTFSA-N	577.249	7.340	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(I)c2)cc1C	408788165	BOEXOFWBSMYFJM-UDWIEESQSA-N	526.349	6.172	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1	408788850	MODMVGMDUGANJA-YBFXNURJSA-N	621.700	7.394	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc(C(=O)O)cc1	408789800	LQZHKKKLNKYHNL-CAOOACKPSA-N	576.230	6.587	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408791590	ZEIXENLMWADJTK-VIZOYTHASA-N	526.634	8.078	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408797903	UGVSEQMJAZGQPU-CAOOACKPSA-N	591.245	7.187	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1OCc1cccc2ccccc12	408799197	YJRNFIKKFCSCRE-VUTHCHCSSA-N	633.542	8.705	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1	408813409	PLNOXNHSENYOKJ-LSCVHKIXSA-N	672.144	7.171	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1C#N	408818194	PEQCVIFJXJPGQZ-BIKKEBSBSA-N	633.546	7.829	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1ccccc1F	408820412	XNEBUEOFSQFBFN-NVMNQCDNSA-N	602.201	6.189	50	40	KKGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)c2ccc(C)cc2)cc1	408828857	JRHKJQPVCJBOGG-PPOKSSTKSA-N	601.725	5.717	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(C)cn34)o2)Cc2ccc(Cl)cc2Cl)cc1	408833507	SSYSEFNWDROYJW-UHIZKJEFSA-N	624.550	6.314	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1	408837262	BCZPTBRWGYJYFH-ULJHMMPZSA-N	560.075	6.487	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	408837325	CLBDQLOLAXDNQI-RDRPBHBLSA-N	544.073	5.182	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408837453	FPGBWDNMSMMHAV-RUMWWMSVSA-N	557.672	5.318	50	40	KKGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408837709	LVHTWCORWSKORP-HNSNBQBZSA-N	665.566	5.129	50	40	KKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408840866	COLOFZNQDVAJJZ-OCSSWDANSA-N	587.386	5.593	50	40	KKGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408842230	JGQWYOKVESQXJR-KIBLKLHPSA-N	537.222	6.580	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	408849536	XAUAUNLFWFZDHY-FZKWRIDDSA-N	541.482	7.931	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl	408854900	KNXMDIOYPRATER-NVJOKUIPSA-N	595.220	6.696	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCc1cccc(F)c1	408867670	LSLIKCNAOIRBJV-UFFVCSGVSA-N	616.427	5.649	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccccc2)c1	408871237	XHRVMQNGXWCSRD-BIZUNTBRSA-N	638.540	5.391	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1cccc(Cl)c1	408875809	LBMIBBBMZPBSOM-RQZCQDPDSA-N	562.766	6.217	50	40	KKGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc3ccccc23)cc1	408891237	NHYZZFSBSTZZJK-LQKURTRISA-N	503.352	5.594	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408893287	LVHHDYWATTZMNZ-LQKURTRISA-N	549.381	5.500	50	40	KKGB	
COc1cccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1OCc1ccc(Cl)c(Cl)c1	408893811	FWKJYAJFRGGMCT-MWBNBJEGSA-N	585.572	7.965	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc(I)c1OCc1ccccc1C	408923477	IRVRMMMCYZMXML-VXLYETTFSA-N	696.177	7.566	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)c(OC)c1	408952346	KCGVEFDZIIXIPN-RZNGARSMSA-N	777.410	5.361	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)ccc1OCc1ccc(Cl)cc1Cl	408973984	SQDFDLIPDBRSED-GESPGMLMSA-N	516.410	5.240	50	40	KKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1	408979621	NJUOJMSPLTYWCH-MSHUQIKOSA-N	542.405	5.495	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1cccc(F)c1	408982312	GLSLOZKZODOTBL-MTJSOVHGSA-N	539.832	7.403	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC#N)c(Br)c2)cc1Cl	408982918	IVZSLRXILZDZMJ-MLPAPPSSSA-N	509.585	5.621	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccccc1C#N	408992969	VHRIBGDHULFRBT-MFKUBSTISA-N	512.009	6.772	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	409006856	RDUXVSHDYMZRFD-HNSNBQBZSA-N	575.662	5.063	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)COc2cc(C)cc(CC)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409009112	BMQCOYGGOXJQRV-PQKVGRGHSA-N	623.794	6.971	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)cc2I)cc1	409013828	WDEMIDWCZULTHF-VPUKRXIYSA-N	841.019	7.660	50	40	KKGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)Oc1ccccc1/C=N\NC(=O)c1ccco1	409018162	XWKWINBDAJWKDH-KVSMVZNBSA-N	549.366	6.188	50	40	KKGB	
CCOC(=O)c1ccc(Cn2c(C)c(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c3ccccc32)cc1	409029844	BRTNYTYFEMORSM-SEBMTOOBSA-N	566.661	7.154	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409029917	DBKISOSQMUXBQM-DLCNMLRHSA-N	680.315	7.751	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409034366	NKNDPLYCBUSFEE-ZCTHSVRISA-N	504.615	6.897	50	40	KKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2F)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12	409040512	YOMKFGKOYSLSLW-OHUYPAJKSA-N	601.419	6.988	50	40	KKGB	
Cc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1Cc1ccccc1C#N	409042585	YLSFTWLWLOJTKP-QLQYKETESA-N	519.608	6.849	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1	409045008	XHEYJCQBVUMKDH-VXLYETTFSA-N	528.200	7.071	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409082065	RMOILLMSAXRXSL-RIYZIHGNSA-N	514.847	7.008	50	40	KKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)OCO3	409104633	GGFFODBUGZEVPH-JOCHJYFZSA-N	601.207	5.646	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c2ccccc2)cc1OC	409124046	JWNHNDBDCJAQLW-FADJLKOXSA-N	609.704	5.782	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c2cccc(Cl)c2)cc1	409129661	VQYMHLCLTZNIMK-KBVAKVRCSA-N	629.964	5.864	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1	409133710	MRERZQOHTUNPKU-XICOUIIWSA-N	663.749	5.044	50	40	KKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	409143543	MRCQMUZWMFSVAE-FQEVSTJZSA-N	658.661	5.943	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccccc3F)cc2c1	409187980	WCTVHKMEXBCWDQ-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccccc1C#N	409248417	KEVAYSMTCLNBIG-HTAGGTJDSA-N	577.422	5.925	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409250227	LVVMPPBLRURUDM-CIAFOILYSA-N	597.409	6.297	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409254010	CNDKDELUOIFCDD-PCAKBJJQSA-N	540.447	5.701	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(I)c1OCC(=O)Nc1ccccc1	409254782	ISYADHYUBYBCNO-KMUKQRDJSA-N	717.589	7.338	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Cl)cc1C	409255780	IVQBYUNARTUQBM-JAIQZWGSSA-N	508.405	6.482	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1cc(C)ccc1C	409256333	NSZKQNYVCJOADR-KGENOOAVSA-N	503.986	5.919	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409261392	BJBXDMVIKFYLLL-NVMNQCDNSA-N	617.725	7.045	50	40	KKGB	
CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC	409303232	MMPSVNKBODAIST-YKQZZPSBSA-N	555.469	6.378	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OCC	409317917	SQXAVDUXAKJOMX-LQNQUEJISA-N	540.016	5.318	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	409320721	QXJOJSFJPFVIDA-OHUYPAJKSA-N	618.484	5.827	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)ccc1OCc1ccccc1	409323888	RLSZBECWCKVVTN-HTVDVWKISA-N	737.323	8.673	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12	409371962	CMTWUIXEKMQTAI-MWLSYYOVSA-N	595.393	5.633	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409378748	RCSKCYVAHUSXTG-BKUYFWCQSA-N	534.012	5.927	50	40	KKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1	409381689	VMYIJTQTMAQZDE-KKMKTNMSSA-N	534.769	5.032	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCc1ccccc1C#N	409386486	QHOBIKSTGARAGL-XODNFHPESA-N	565.405	5.795	50	40	KKGB	
Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2)c1	409394663	DINAAXOGEFQVBX-UHFFFAOYSA-N	699.321	8.670	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2ccc(I)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409395932	UCJOQTQYTVRORO-UHFFFAOYSA-N	742.751	7.567	50	40	KKGB	
COc1ccc(Cl)cc1C(=O)Oc1ccccc1C=NNC(=O)c1[nH]c2c(C(F)(F)F)cccc2c1-c1ccccc1	409398484	TZMXGDONJUGRLG-UHFFFAOYSA-N	591.973	7.499	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(Br)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409398912	WJYCMYABBJIPDJ-UHFFFAOYSA-N	691.922	7.549	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCc1ccc(Cl)c(Cl)c1	409404315	PTUXNSXCGAIPSL-OAZBTLTBSA-N	745.885	9.730	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)o2)cc1	409405658	UHXXJWOLYHKISE-RODHXAHZSA-N	622.936	8.569	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Cl)c1OCC(=O)N1CCOCC1	409405707	UTMKJXMACPCSCS-VHFSBPNMSA-N	714.013	6.082	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCc2ccccc2F)cc1Br	1529548170	YKFYQHXVBYDEFQ-RZNGARSMSA-N	685.572	5.061	50	40	KKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCC2	2338314	ZKTKBEQWICTHCK-DTQAZKPQSA-N	543.472	7.696	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C1\C(=O)N(CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2ccc(Br)cc21	2406679	QOFRCDRFTLFTNL-UEJFZKOJSA-N	523.475	5.096	50	40	KKGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)COc3ccc(Cl)cc3Cl)cc2)c(Br)c1	3081116	APLKKDIZYQHLHC-KVSWJAHQSA-N	582.234	5.278	50	40	KKGB	
C=CCN1C(c2ccc(Cl)cc2)=CS/C1=C(/C#N)c1nnc(N2CCOCC2)n1-c1ccccc1	3190797	FBXRCXMYUKRYPH-LVWGJNHUSA-N	503.031	5.183	50	40	KKGB	
CC(/C=N/NC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br)=C\c1ccccc1	3192583	MMYOLYNQVIXWJM-ZKLRTVMUSA-N	508.254	6.228	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccc(Br)cc1	6166474	XUTDCQIFZZYJDF-MRYBEPRJSA-N	609.546	5.644	50	40	KKGB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	6445761	JVOXJBSAUYYKES-IGCYBFCNSA-N	549.863	7.638	50	40	KKGB	
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@@H](c3c(ccc4ccccc34)N[C@H]2c2ccccc2F)[C@H]1Cl	8426382	FCEVFWRDUFKIQW-FXTCCQQZSA-N	505.014	7.926	50	40	KKGB	
CCCCn1c2ccccc2n2c(C(=O)N/N=C3\C(=O)N(CC)c4ccc(C)cc43)c(-c3ccccc3)nc12	9459821	LOQWCXWZDDLXKO-KGGMANCPSA-N	518.621	5.565	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(I)cc1	10118501	WAESFOBBFUUFHI-JVWAILMASA-N	506.343	5.787	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccc(C)cc1	10118651	SGYUVOKSNDRQME-CVKSISIWSA-N	514.363	5.341	50	40	KKGB	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3	13134532	NTCYHIZWLXMYTE-MRXNPFEDSA-N	508.047	5.813	50	40	KKGB	
COc1ccc2ccccc2c1/C=N\NC(=O)COc1c(Br)cc(C)cc1Br	16267135	YGXZUTRFYLDJIT-MYKKPKGFSA-N	506.194	5.211	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccco1	20348568	JACGDESHDYVFIJ-NRFANRHFSA-N	504.395	5.383	50	40	KKGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	28213790	APZWSWMSFSSODP-UVHMKAGCSA-N	502.423	5.394	50	40	KKGB	
CCn1c(SCC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)nnc1-c1ccc(OC)c(OC)c1	31885720	KSJJNFSHECSFDT-QRQIAZFYSA-N	517.611	5.017	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)ccc1OCCOc1ccc(F)cc1	97980728	FHBAGDNBLKLOJL-FMFFXOCNSA-N	612.079	5.900	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)c1	100100256	JZGVDKALYVOWLQ-VTNSRFBWSA-N	560.561	7.671	50	40	KKGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1	100125092	WNHJHKBVDFLUCE-KBVAKVRCSA-N	569.514	6.055	50	40	KKGB	
N#C/C(C(=O)Nc1ccccc1Cl)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	100878414	AESPXFCPZQPPLF-BRZNVLFUSA-N	528.848	6.712	50	40	KKGB	
CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Br)/C(=C/c2ccccc2Br)C1	102224899	FZPJJSASSSNFHI-HZUJZGFBSA-N	541.287	6.081	50	40	KKGB	
C/C(=N/NC(=O)c1cc(-c2cccc(OC(C)C)c2)nc2ccccc12)c1cc(Cl)cc(Cl)c1O	102333766	AVCCZKVJYHTCIB-ACXHZZMFSA-N	508.405	6.855	50	40	KKGB	
COc1cccc(C(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)c1	104367198	AVTXWZWABDATOQ-BXAFPDBCSA-N	606.476	5.424	50	40	KKGB	
CCCCCCCCCCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1	139072365	AMNCJQDYLQYYLT-PTROGCMSSA-N	520.464	5.494	50	40	KKGB	
C=CCc1cccc(C2N(Cc3ccc(N(CCCl)CCCl)cc3Cl)CCCN2Cc2ccc(N(CCCl)CCCl)cc2Cl)c1O	150373359	SEUZJFRXQQSLSG-UHFFFAOYSA-N	747.466	9.402	50	40	KKGB	
Cc1ccc(C(=O)NC(C)(C)C(=O)N/N=C/c2c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(/C=N/NC(=O)C(C)(C)NC(=O)c6ccc(C)cc6)c5c4O)c(O)c23)cc1	150669715	JVWIZAUQLRXNFR-SJAGRYNDSA-N	953.106	8.691	50	40	KKGB	biogenic,in-vitro
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(Cl)c2)cc1	408538423	MQZIMKAXZHPPDL-QFEZKATASA-N	617.485	7.492	50	40	KKGB	
COc1cc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)ccc1OCc1ccccc1	408538924	RLUJTCDXIMXPLX-WGARJPEWSA-N	676.405	8.541	50	40	KKGB	
CCCCc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(OCc4ccccc4)c(OC)c3)c(OC)c2)cc1	408540248	PCKQHJUZEXZNPS-IDWIKUEFSA-N	587.116	7.622	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	408542957	MHGDDVIWZTUISS-IUXPMGMMSA-N	635.106	6.797	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408544867	VSFRGHKFFTXJIY-LSCVHKIXSA-N	599.337	5.031	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550582	FKVPZHZRIVYVEQ-GZTJUZNOSA-N	544.822	6.609	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1	408551375	KNBCBFAKPQZDMQ-PXNMLYILSA-N	593.250	6.650	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1)Nc1ccc(Cl)c(Cl)c1	408552078	HBXXMCMPLOWLGI-ULPWCQAASA-N	510.299	5.794	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553237	NAEXMJVRIQGPTD-OVCLIPMQSA-N	572.246	6.722	50	40	KKGB	
COc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408555320	XAFDJSRBFYVFBZ-CNCDYAKUSA-N	615.311	6.628	50	40	KKGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408659493	VWKKSTJWGXREBS-CYJHHTLLSA-N	627.499	6.609	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1	408726121	PYRJTVADPSLFNK-JFLMPSFJSA-N	501.808	5.773	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	408753947	LGNDCYNNPNFKFF-DEDYPNTBSA-N	599.459	5.256	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408778310	DEJWOQHEBYECJK-JCMHNJIXSA-N	520.402	5.423	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408788176	BQHMZRALPPPXBM-RGVLZGJSSA-N	574.302	7.896	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408800784	QYLIDHVVBCWMKY-UDWIEESQSA-N	566.282	8.342	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1c(C)ccc2ccccc12	408806011	DRYFCAVEWNPPRV-BUVRLJJBSA-N	511.021	7.633	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1C#N	408808301	FOEMAFAUUQJCIK-FMCGGJTJSA-N	501.970	5.421	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408824304	GRGZJNUTPVRQED-LPYMAVHISA-N	581.858	8.490	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=N/NC(=O)COc3ccccc3)o2)cc1	408826845	LKYGZGNGFOLQAP-WCMJOSRZSA-N	586.497	5.815	50	40	KKGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1	408837381	DMWSOPRSKWHOAD-WKULSOCRSA-N	557.459	5.204	50	40	KKGB	
CCOc1cc(Br)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408848863	WOXZPEDQIJUYIP-YKQZZPSBSA-N	532.438	6.386	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c2cc(C)ccc2C)cc1	408863096	PDXXLRLDCFCZKE-KCSSXMTESA-N	546.668	5.504	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	408863356	MAXKVHBAPMHNSO-QXUDOOCXSA-N	638.142	5.681	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Br)c2)cc1	408865185	BPQLYDIKJLTNSN-XDHOZWIPSA-N	526.228	6.357	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408870964	WHSMXWJGAKSGMD-QXUDOOCXSA-N	622.143	5.980	50	40	KKGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1OC	408876385	LEGCOJCIGZGMFO-LRKVLWAOSA-N	525.399	5.217	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N\NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)cc1	408881235	IMTBKXRWVMUESZ-YNQHOAAXSA-N	580.471	6.268	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCc1ccccc1C#N	408905111	TVFJEKUPIQCXLP-NUJZUDFISA-N	563.364	5.717	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(I)c1OCc1ccc(Br)cc1	408909667	IAZGRYNUBBWEBP-XODNFHPESA-N	643.703	6.214	50	40	KKGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2Br)cc1	408921297	AHJAFRBYWXFLJJ-CPNJWEJPSA-N	554.422	5.029	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCc2ccc(I)cc2)cc1Br	408954378	ZCQSMNPPPGXXPC-LJAQVGFWSA-N	793.478	5.526	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1cccc(C(F)(F)F)c1	408961388	BWTCFOONBWEGTI-KVSWJAHQSA-N	558.725	6.306	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl	408968663	AUBGSYIQQNBCOH-OANZDNFGSA-N	781.302	7.941	50	40	KKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408971694	JMQPOMAYSBELFX-WMOVZUESSA-N	659.397	7.524	50	40	KKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc3ccccc3C)cc2Br)cc1	408972172	TWVKOPJKDCLIFI-FFWFIYGGSA-N	580.523	5.705	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C	408974396	YQGSNRZZKJJREB-KBVAKVRCSA-N	529.464	7.046	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408981433	BENNKTVSXDGWOV-ZDLGFXPLSA-N	603.800	6.295	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1Cl	408983045	JVONTFGEYPVDMY-IUXPMGMMSA-N	699.670	6.891	50	40	KKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)/C=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1	409005394	IHTYDQMEFDMDOL-XTESRPLFSA-N	615.686	6.673	50	40	KKGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Cl)cc1Cl	409011165	DYUCTASQBKPSTR-PEJLIQTOSA-N	519.256	5.749	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409015851	BZRAQHRNINIHGF-FNTLCPBMSA-N	602.735	6.735	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCCCCCCC1	409026947	KBOUXHZSBSKJKB-UHFFFAOYSA-N	538.541	6.966	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)cc1	409028299	LKPOGSVRHDZDQA-LRGHTXIMSA-N	544.677	5.500	50	40	KKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409039338	GHSULMLBLPDDRW-MWLSYYOVSA-N	520.814	6.646	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409040530	YSRPRKDTYYMDJM-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
N#C/C(=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1	409079327	KXFRWIRZXTZATH-RIYZIHGNSA-N	522.266	7.258	50	40	KKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)Nc1ccc(O)cc1	409092781	WQUDUHMPGSAAEZ-NTEUORMPSA-N	548.271	6.420	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OCc1ccccc1Cl	409159855	AQDNKUSQZLKFNK-KKMKTNMSSA-N	629.676	6.154	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12	409175487	ZLQDTWISWGVIGS-FOWNAGJJSA-N	652.492	5.056	50	40	KKGB	
O=C(N/N=C/c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1	409189418	GIYAWYPZGBMFHP-KBKYJPHKSA-N	547.811	6.255	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1ccc([N+](=O)[O-])cc1	409200024	FLTUOVPQHFCOOZ-MFOYZWKCSA-N	734.069	7.052	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCc1cccc(C)c1	409209790	HBCMPJVWNKNHJV-CCVNUDIWSA-N	594.902	6.473	50	40	KKGB	
COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409222459	CWMJGMVZNLMQCS-UHFFFAOYSA-N	576.436	6.546	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1	409223004	FACJYSVTBYWJSC-XDHOZWIPSA-N	505.958	5.229	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	409223772	HNCDOJUYDPYBNF-SCPBZUFKSA-N	598.055	6.382	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1	409224685	NDGDZBSOWBADCG-MHWRWJLKSA-N	589.671	6.428	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(I)cc1	409240865	QHQPDKWHVIUWQD-FPJJECCMSA-N	586.857	6.707	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(=O)Nc1ccccc1Cl	409252390	SJJXTTSKHVLJEJ-PPDIBHTLSA-N	642.675	5.497	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1	409259983	IQNXODYSWUTTLP-AEVGBRMKSA-N	719.061	8.458	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1	409309440	HFTMQZOWXMGORO-MZFJOGFUSA-N	515.009	6.661	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1OCC	409309470	HWEJHXDAIKIRCG-RHANQZHGSA-N	561.056	5.376	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)ccc1OCc1ccccc1	409310210	SDBPBTUWEWSOPU-OHUYPAJKSA-N	638.356	7.532	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)ccc1OCc1ccccc1	409317127	PASYTJNAFJAHNG-COEJQBHMSA-N	530.602	5.196	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1OC	409317803	VWLUBNKEOAEJNL-WGARJPEWSA-N	526.889	5.286	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)ccc1OCc1ccccc1	409326575	MAFNHGALAYIZHJ-OHUYPAJKSA-N	613.519	6.811	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409384498	CVORUZWIGDPNDJ-LUOAPIJWSA-N	562.804	6.707	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)[nH]c12	409395460	NWFPZMWKJJJLTD-UHFFFAOYSA-N	665.769	8.305	50	40	KKGB	
COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409396149	WSMJMPWOBDLXQQ-UHFFFAOYSA-N	678.898	7.307	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409396358	XYHUJGFOCWSUDE-UHFFFAOYSA-N	607.420	6.181	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C(F)(F)F)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409397658	MKMJJJSYISDPCG-UHFFFAOYSA-N	606.000	7.889	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3cc(Cl)cc(Cl)c3c2-c2ccccc2)ccc1OC(=O)c1ccco1	409398149	RESNGGWQZXEUQC-UHFFFAOYSA-N	562.409	7.117	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3OCc3ccc4c(c3)OCO4)o2)cc1	409401719	ICMQMJZWIUUFLH-QMRORBIVSA-N	598.055	6.991	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCc1ccc(C(=O)O)cc1	409406194	WERQHJDKWNFYOT-WBIBEUCMSA-N	623.662	6.324	50	40	KKGB	
CC[C@H]1C=C(C)C[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC	1083819343	KASDHRXLYQOAKZ-PGFRDBKZSA-N	810.466	5.719	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	1529544902	SRIPJVGCFLYXKK-MOEPSENCSA-N	657.576	5.466	50	40	KKGB	
Cc1cc(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Br)cc1	647901	IYFHUPYDJWDOHX-JYFHCDHNSA-N	513.439	6.239	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(Br)c1OCc1ccccc1	1783421	VGEJXNJDQLVGFU-WUIOEYHCSA-N	595.519	5.083	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1	1888936	MADWGEWHSLLJNX-OGCOBRASSA-N	506.002	5.264	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1	2056265	RJBGYHGTIGYYNO-FMFFXOCNSA-N	576.118	6.595	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1c(C)c(C)c(Br)c(C)c1C	3090755	BHCOTSLZUQHDHG-XODNFHPESA-N	511.416	5.740	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1ccccc1I	3103013	NZNZNIYZSNXFME-GIQGSQORSA-N	586.429	5.967	50	40	KKGB	
N#CC1=C(SCC(=O)NC(c2ccccc2)c2ccccc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1	3277160	LAIVUPILMFPMJP-MUUNZHRXSA-N	523.633	5.894	50	40	KKGB	
COc1cccc(/N=N\C(=N/NC(=O)c2cc(Br)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2OC)c1	5580799	GGCOMEPMRIUEQP-MCJNZCSVSA-N	604.465	5.681	50	40	KKGB	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21	6194059	JIMUSIJZSKRZJA-BOLWVKMUSA-N	574.884	7.613	50	40	KKGB	
O=C(O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21	6445651	OTHQNINSJWIIPA-MJZWAZDZSA-N	525.970	6.240	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)c2ccc(Br)cc2)N1	8399176	FAQZLXHWHLUXIY-SANMLTNESA-N	578.919	7.053	50	40	KKGB	
COc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)c(Cl)c3)NC3=C2C(=O)CC(C)(C)C3)cc1OC	8433433	BDTXEXHXPJTWMR-XMMPIXPASA-N	529.489	7.009	50	40	KKGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1	12250049	PSCYGRNYHPGLOU-NDEPHWFRSA-N	525.630	5.655	50	40	KKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1cccc(Cl)c1	58985837	LFFMTFQOIKWRBG-FQEVSTJZSA-N	515.795	5.330	50	40	KKGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1cccs1	97950974	ASRUPDCBSOSUFN-AREMUKBSSA-N	530.675	5.772	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCC)cc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	97999547	UKDKAHOWOUQQGB-PMERELPUSA-N	568.699	6.191	50	40	KKGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)c(Br)c1	98001656	JCRFPAVCSGCGEQ-KCSSXMTESA-N	603.425	5.425	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1C#N	100063427	QOTLYTINEVHPIZ-WKULSOCRSA-N	526.818	5.645	50	40	KKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1	100179067	LBEMIAORPJEWRH-PPOKSSTKSA-N	590.145	6.987	50	40	KKGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)nnc2-c2ccc(Cl)cc2)cc1	100242314	QSBOLKNEZSLORC-GXBUFBABSA-N	598.128	6.808	50	40	KKGB	
CCCCCCCCCCCCCCCCCCOOCCCCCCCCCCCCCCCCCC	100309577	YZQCRYHZKMFKDE-UHFFFAOYSA-N	538.986	13.458	50	40	KKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1	100990880	NXALHQQFISUCRH-NLTRVXJZSA-N	550.453	5.373	50	40	KKGB	
C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(/c1ccccc1)c1ccc(Cl)cc1	102310771	KVGYLDXZIDJRSR-KPYIJLJTSA-N	532.047	7.547	50	40	KKGB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	102808481	QCOCXUZNWCVYQH-HHHXNRCGSA-N	575.046	6.059	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	102810266	VXPBQXZEEXQFFE-HHHXNRCGSA-N	547.055	6.494	50	40	KKGB	
CC(C)(C)c1ccc(OCc2ccc(C(=O)NNC(=O)c3cccc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)c3)cc2)cc1	102995177	HPKFEEPIYLAWRN-UHFFFAOYSA-N	626.562	6.746	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	103883113	HNOIARVXOJSFJR-NDENLUEZSA-N	561.296	7.135	50	40	KKGB	
CCOC(=O)[C@@H](NNc1ccccc1)[C@@H](c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104106188	OTIHHGPAHAOXBD-SZAHLOSFSA-N	546.651	6.003	50	40	KKGB	
C[C@H](CCC(=O)N/N=C/c1ccc(F)cc1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	118917118	LYGIRJHOSGMNLO-ATOHZOEASA-N	512.710	5.683	50	40	KKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)N(CCCl)CCCl)CC[C@]34C)[C@@H]1CC[C@@H]2OP(=O)(O)O	118928894	AZSRKOWMDNSWGA-NPHYJUJJSA-N	540.465	5.792	50	40	KKGB	
O=C(Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@@H](Br)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1	138832666	DZSQSWJRXRUNRM-AHKZPQOWSA-N	573.399	6.392	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342124	VUEODILNMCFPKO-UWTATZPHSA-N	842.037	10.293	50	40	KKGB	
C[C@@H](Nc1ccc2ccccc2c1)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1	254606696	IQGOVVNWRMCMOQ-LJQANCHMSA-N	502.412	6.132	50	40	KKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)O)cc1	408542379	IRMUFTUCECIHGE-ZDLGFXPLSA-N	503.179	7.097	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c(C(=O)OCC)c1C	408545940	AAVVQCWTVTYNLL-PXLXIMEGSA-N	633.564	7.203	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c(C#N)c1C	408547495	YEQWZYNZJHFODF-WSDLNYQXSA-N	518.598	5.698	50	40	KKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(C)cc1	408578652	AFFJTWPKNQUOHK-CIAFOILYSA-N	574.256	7.404	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(Br)cc2)o1	408606097	NXOYWTPRLGCGQG-QHCPKHFHSA-N	547.434	5.794	50	40	KKGB	
C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc(Cl)cc3)[C@@H](CCCl)C(=O)c3ccc(F)cc3)C(=O)[C@@H]2C1	408646740	UIBLXMDVSOCWDE-OUWXYEHJSA-N	519.400	5.138	50	40	KKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccc(N2CCCC2)cc1	408677513	REQQVWIKZNMBPQ-AMVVHIIESA-N	581.725	7.352	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)cc(I)c1OCc1ccc(Cl)cc1Cl	408723132	QOBREJMWNXMFNH-LUOAPIJWSA-N	570.214	5.735	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1Cl	408725689	MRZVCAZYZAKHTM-APSNUPSMSA-N	624.218	6.639	50	40	KKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1I	408744165	JJZKGJNAZVHVRT-DHDCSXOGSA-N	523.168	5.473	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1	408744296	DVGGONZEHQUPKA-IUXPMGMMSA-N	541.785	5.964	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1I	408748085	YDQDWCRUDOHACH-RMORIDSASA-N	515.134	5.631	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc(OC)c1OCc1ccc(Cl)cc1	408748191	ZTZPAAIYOPZSMJ-WKULSOCRSA-N	590.845	6.033	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408753771	HZDULRIHPRCFCW-SXGWCWSVSA-N	643.286	6.228	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408757270	XTSMGRZPZRGRGN-CCVNUDIWSA-N	534.370	5.716	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(I)cc1	408762847	LKTIGEJLOGBGEM-ATVHPVEESA-N	557.775	5.508	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408768047	BKFYCYXTBZQBRP-JCMHNJIXSA-N	640.478	6.569	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)cc1	408794447	IKEORUQRVGRBBU-WSDLNYQXSA-N	560.404	5.631	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br	408799774	KZKAPCWSIBFTAD-FYJGNVAPSA-N	531.837	7.689	50	40	KKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Br)c2)c(OC)cc1Cl	408834198	UPKUNPUMDXMZOW-CIAFOILYSA-N	591.889	7.706	50	40	KKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)c1	408834834	VVCSVBFNVWGGJM-FDAWAROLSA-N	561.660	5.069	50	40	KKGB	
O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1	408836071	YTBVNULZVISHET-UHBFCERESA-N	585.469	5.066	50	40	KKGB	
CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1	408836691	UKCAJUPFUGFKMX-XSFVSMFZSA-N	507.384	5.981	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccc(Cl)cc5Cl)c(Br)c4)cc3)cs2)cc1	408838810	ISRCZZJPKNHKSJ-IRWBXMRWSA-N	745.324	10.037	50	40	KKGB	
C#CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408841254	DXEYTERXCAZKCK-WCMJOSRZSA-N	609.933	7.144	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408847897	VSTLZTORTDHKQB-HASSKWOGSA-N	687.702	5.372	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc2ccccc2c1	408850717	CYNYBTBSXKLQST-MIXAMLLLSA-N	590.521	7.657	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(I)cc1	408853698	QSPJSWBWKBENEC-DBFSUHOCSA-N	745.149	7.146	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccc(C(C)C)cc2)cc1	408855710	CPXKQPCYPFTJPF-QNKGDIEWSA-N	555.700	6.043	50	40	KKGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(C)cc1	408862545	GASUFNXMFPCXLG-BIZUNTBRSA-N	563.123	5.964	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1Cc1ccccc1Cl	408869886	SKSZZEFHFGTKNK-FYJGNVAPSA-N	523.858	7.200	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408871845	YDJITZYAYVYPOL-VMJBBSNPSA-N	568.320	6.974	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408885445	ABJKEERCAAJAIC-VULFUBBASA-N	551.846	5.341	50	40	KKGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OCc1ccc2ccccc2c1	408905015	RYKNQFHHRHJAEJ-MNDYBZJGSA-N	597.307	7.416	50	40	KKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c1C	408912518	HZFDNDMKUWNQHJ-YPXUMCKCSA-N	508.789	5.590	50	40	KKGB	
C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OCc1ccc(I)cc1	408943485	HPKSZCQWTUGDBA-JGCGQSQUSA-N	768.674	5.882	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1	408944216	ITGMATCDSWQEOF-MHZLTWQESA-N	734.442	5.815	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(CC)CC)cc1OCc1ccc(Cl)cc1Cl	408946989	NGCMKPXTDLPPIH-YTTGMZPUSA-N	698.673	6.304	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1	408949027	QGBDRCDDVPSNDG-HHHXNRCGSA-N	661.995	6.111	50	40	KKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C)c1ccccc1	408977957	GHPKQUZTZYWORP-AOYMVWLXSA-N	508.622	6.089	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c2ccccc2)cc1	408980673	SCTKYBDJTDTSOO-QRGARVHWSA-N	567.023	5.377	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N	408994441	GBJRGTTUVUMCRV-DDQSQAIPSA-N	545.384	5.078	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Br)c1OCc1ccc(Br)cc1	409002752	PTBYEFNZHUUPKI-FVNKYMLISA-N	841.360	6.834	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1	409011747	HLGANECFDSJMAX-QXUDOOCXSA-N	626.562	5.965	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl	409024301	JLSVLBQYDWXZMG-ZPOUEADKSA-N	599.540	6.498	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2ccccc2)c1	409026212	JDJBBTUJEMHEMS-GZZLJNBRSA-N	554.672	5.368	50	40	KKGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Br)cc1	409027339	APLWFLYGRYIYKD-DHRITJCHSA-N	541.254	5.102	50	40	KKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccc(Cl)cc1Cl	409036861	BUSWWDHWLGFBRG-FABQOPTDSA-N	556.449	7.560	50	40	KKGB	
CC(C)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	409044854	DSJGARSBOYBYJZ-MKMNVTDBSA-N	546.181	6.811	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409071270	QGKZUYMTIIMXFG-XDHOZWIPSA-N	531.417	5.383	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409081792	QGQSUPHVDBRDTP-VCHYOVAHSA-N	628.379	6.461	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409084417	XWJQFGVZMQVYCR-YSURURNPSA-N	514.150	5.420	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)c(Br)cc1OCc1ccc(C)cc1	409140299	DLCXCXVYNLBPNW-MUUNZHRXSA-N	594.550	6.118	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O	409148520	ZEWYFEXDYNHIDU-RUZDIDTESA-N	540.035	5.449	50	40	KKGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)C2=C1CC(C)(C)CC2=O	409148521	QGFZMAWTZUDCDL-SANMLTNESA-N	645.392	6.182	50	40	KKGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	409185121	JLWRZEDYCSEAJX-DPNNOFEESA-N	625.534	5.665	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409209796	HESYSDRHNCWUMR-NDENLUEZSA-N	583.382	5.988	50	40	KKGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)c1	409225045	ODJKCUVCSKREGD-KVRIYIHLSA-N	722.346	6.763	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409225582	NAWXZMYHKGGBBZ-XDHOZWIPSA-N	524.404	6.264	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OC)c3)c2)cc1OCC	409226823	VZLWXMWZEXAIOG-XOUHANQBSA-N	652.660	6.036	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	409226977	WTGJURSTQGKJMV-UHFFFAOYSA-N	606.462	6.636	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)cc1Cl	409256396	KWBJPWCHLKWGRF-LZYBPNLTSA-N	549.241	7.172	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1C	409256666	QATZQBVKRMHFPZ-VXLYETTFSA-N	585.252	6.818	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409257757	USBLAHLQIFSSGE-XKZIYDEJSA-N	518.013	6.227	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409258112	TXHSGBGOMQFUKV-CDLBOOTPSA-N	780.088	8.609	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409269081	DSQKPZFZHVZNEA-QMRORBIVSA-N	646.556	7.651	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1OC	409326512	LJQPJGCOSWENOU-MBTHVWNTSA-N	539.382	5.064	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCc1ccccc1F	409332629	HNSPMCCRBJBZBE-HQDYHJHZSA-N	563.025	6.808	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC	409334443	LOCAGNSKGIDWTF-MWLSYYOVSA-N	501.410	6.524	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OCC)c2)ccc1OCc1ccccc1	409366167	YLNYDNWZFJOIJV-WBIBEUCMSA-N	711.528	6.588	50	40	KKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	409373777	VFUOPRHULKZSEQ-LQNQUEJISA-N	500.530	5.413	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccccc1Cl	409374237	ZIAAZCKKVHCAKE-VYYCAZPPSA-N	546.805	5.681	50	40	KKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)[nH]c2c1	409374771	YXVZTVBQDYBPMY-WQRHYEAKSA-N	523.228	7.040	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1nc2ccccc2[nH]1	409384012	VOZWJGHDRZYKHY-BOPFTXTBSA-N	509.201	6.731	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCc1cccc2ccccc12	409385605	LYZIXLYIYFCFCD-FJEPWZHXSA-N	637.455	6.919	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2)cc(OC)c1OC	409395146	KJJXDHQDUCMEAK-UHFFFAOYSA-N	741.820	8.022	50	40	KKGB	
Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)c1	409395387	NBAPUSHSEBYHKK-UHFFFAOYSA-N	566.455	7.197	50	40	KKGB	
COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2Cl)c1	409396842	BVJIJYWGGLGQDS-UHFFFAOYSA-N	541.966	6.619	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409397394	JIRSUHRELONOCV-UHFFFAOYSA-N	662.526	7.549	50	40	KKGB	
COC(=O)[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl	409400380	CPKHRMLAIXMWEY-IZKGUHRSSA-N	550.011	5.624	50	40	KKGB	
C#CCOc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)cc1OC	409401139	GOBQNUJMLPJJAS-UHFFFAOYSA-N	576.447	5.813	50	40	KKGB	
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)N/N=C/c1cccc2ccccc12	3664244	QTELMZFMPQDARN-AJBULDERSA-N	575.712	5.377	50	40	KKGB	
CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCCC2	3667558	HCTDGWAQECLJNX-DEOSSOPVSA-N	560.676	6.043	50	40	KKGB	
CC(=O)[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](C)[C@@H](C(C)=O)/C(=N\NC(N)=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	4266913	OWHOMSYXRWWYIM-LLFKLMGJSA-N	563.780	5.496	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1c(Cl)cccc1Cl	6166465	NJKMJYLMUKMFER-AESTZPKKSA-N	599.540	6.189	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccco1	20136760	ZFJWFVBONXUEME-QHCPKHFHSA-N	520.010	5.701	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccc(C)c(Cl)c2)cc1	20207117	NZXBKWOFMCCDBS-MUFRIFMGSA-N	528.074	5.337	50	40	KKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc2c1CCN(Cc1ccccc1)C2	21540060	CMKBORJSQWUQFA-XSFVSMFZSA-N	506.027	5.682	50	40	KKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1cccc(OCc2ccccc2)c1	51075724	MLOYPMZBZMPILU-CAQPMQTCSA-N	541.076	6.559	50	40	KKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	59336188	KVLDRICUYHSGRF-NVNXTCNLSA-N	510.179	7.564	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccccc1Cl	97958687	SCTAUBABWQRBMP-VFLNYLIXSA-N	530.781	5.855	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCC(=O)Nc1ccccc1	97961103	ZVEVVNQYBTTYMP-WOJGMQOQSA-N	564.383	5.566	50	40	KKGB	
CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(OC)c(COc2cccc3cccnc23)c1	97965826	BJNDOVFVBBGCKF-HYARGMPZSA-N	555.656	6.730	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccccc2)cc(Br)c1OCc1cccc2ccccc12	97966679	RSJHANHEEBNULF-XJECJHNESA-N	683.523	5.469	50	40	KKGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1	100233217	CQYNFRORHAOIFH-GZZLJNBRSA-N	576.118	6.597	50	40	KKGB	
N#C/C(=C\Nc1cccc(Br)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	100720813	LUIOXZVSGKTAQI-JLHYYAGUSA-N	529.213	6.418	50	40	KKGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1	100858846	NVVUGVRQWICFAR-YKQZZPSBSA-N	532.691	5.276	50	40	KKGB	
C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	102454220	MGRAAYPCKABNEB-GTQLFPTQSA-N	607.132	7.556	50	40	KKGB	
CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)Nc3ccccc3)=C(C)N2)cc1	102808521	SFXGRYXUGDGFRH-MUUNZHRXSA-N	557.075	6.249	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	103857927	HPGXNDFZKWLPHB-OPEKNORGSA-N	575.255	6.401	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	150385194	KYTFASLQPXGNKN-CHSHITCJSA-N	680.057	8.522	50	40	KKGB	
FC(F)(F)C(F)(F)C[C@@H](I)CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	169795383	ZNJUGVWXYIKSJT-STQMWFEESA-N	672.167	9.280	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)c2ccc(Cl)cc2)cc1	211063381	OWOCWASPBFQLTL-ZTKZIYFRSA-N	528.074	5.404	50	40	KKGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc2ccccc12	408527197	FJRAQJWJTTURHQ-PUHLOBNQSA-N	586.408	6.771	50	40	KKGB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NNC(=O)c1ccc(Cl)cc1Cl	408530147	LHQKBJDGESLUFA-IWIPYMOSSA-N	523.464	6.002	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	408538330	LDRDBOGXBJJHDA-YUMHPJSZSA-N	671.544	7.347	50	40	KKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	408541951	GANONPQINFSUAR-LICLKQGHSA-N	508.456	6.972	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)c(C#N)c1C	408547048	QYPAHEQXHQRALM-SSDVNMTOSA-N	525.586	5.283	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1cccc(F)c1	408552004	RBTQVGIVHVZBSV-MSXFZWOLSA-N	502.383	7.783	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553985	XWFAGCHIASVVLO-NVJOKUIPSA-N	610.248	5.844	50	40	KKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408599483	VNOXFXOFCAUXCT-YBFXNURJSA-N	551.422	6.868	50	40	KKGB	
O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	408681444	JLNQAXFQBPQLAM-WITHRNOMSA-N	586.202	5.240	50	40	KKGB	
O=C(Cc1ccccc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	408723481	WCKOVYJTPGENSH-WLQDDEQESA-N	546.026	5.236	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1Cl	408724312	AUFYSNQVSNDALQ-RWPZCVJISA-N	531.834	5.782	50	40	KKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)nn2-c2ccc(C)cc2)cc1	408725043	NTAVFKFMFQZLNJ-QXUDOOCXSA-N	535.047	7.152	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1	408746695	VOSRTGJPBKJFKN-GRSHGNNSSA-N	567.237	6.217	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1	408760421	YLPPAMRXAAETFU-XNTDXEJSSA-N	562.785	5.324	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2cccc(Cl)c2)cc1	408771763	CNPVXNBONNMUOB-UHFFFAOYSA-N	518.123	6.621	50	40	KKGB	
Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1ccc(Br)cc1	408787052	QASNMIFZQVWQTQ-FSJBWODESA-N	522.184	5.225	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccc(C)cc1	408790669	QPASZUNMZWPEDZ-YDZHTSKRSA-N	519.439	6.898	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1	408792881	BTRQPIMODKMSML-KEBDBYFISA-N	506.345	5.776	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1	408793361	FCTSWARHCLOPRF-CAOOACKPSA-N	576.230	6.587	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCc3ccc(I)cc3)cc2Br)cc1	408795563	LZUFOVIZTPVACW-DEDYPNTBSA-N	647.307	6.976	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)c1C	408795824	NFVYGMPAMBESIE-ZMOGYAJESA-N	637.315	7.948	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)c(C)c1	408805389	ARSXCOHAMHCPKO-SSDVNMTOSA-N	509.433	7.442	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1	408805645	BJPHEOAPKIZIFS-DJKKODMXSA-N	515.824	7.479	50	40	KKGB	
Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	408807803	HRVWIRCUAOTISA-JJIBRWJFSA-N	503.001	8.080	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1	408825352	CPBAVYWBJPTZHB-HNSNBQBZSA-N	640.003	6.636	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(I)c1OC(C)C	408827188	CLTFEOMLNLPJHE-UDWIEESQSA-N	647.307	6.974	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1	408847269	UPPGWHMHADMBPH-HNSNBQBZSA-N	572.017	5.983	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(I)c1OCc1ccc(Br)cc1	408847624	TWABOAXMCSBUHZ-XJECJHNESA-N	753.460	8.581	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408854284	BNXBBBMFANPYOU-YBFXNURJSA-N	530.249	7.497	50	40	KKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(I)cc1	408854857	AMFSHAPSVYHZQI-CPDSRJINSA-N	694.161	7.634	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2cc(Cl)ccc2OC)cc1OC	408856486	CDUUGHIWGSWNFR-UHFFFAOYSA-N	566.120	5.270	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)c(Br)cc1OCc1ccc(Br)cc1	408858944	ULXZGIOEKFNKLU-LGJNPRDNSA-N	533.220	5.348	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc2)cc1	408859291	OCIHZFDQVYFVRT-ZCTHSVRISA-N	564.063	5.273	50	40	KKGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408861672	FJCPKKAEFBFCLX-KEIPNQJHSA-N	646.791	5.479	50	40	KKGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1)c1ccccc1	408866106	FQSANWPLQFJCNA-WRTFHLJESA-N	589.740	5.025	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1Cc1ccccc1Br	408875588	KKEITITZZXKPHT-WOJGMQOQSA-N	574.700	7.400	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408889286	CBCZTVVMRZGJPP-WOJGMQOQSA-N	541.969	5.269	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCc1cc(C)cc(C)c1	408889708	FZNYCKUAZBYDNX-LPYMAVHISA-N	535.438	6.598	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OS(=O)(=O)c1ccccc1	408898525	MBXYFDMUYZVZJS-VULFUBBASA-N	612.296	5.151	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12	408945359	KOCINOUPSBLDPJ-WJOKGBTCSA-N	630.170	5.536	50	40	KKGB	
O=C(COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br)Nc1ccc(F)cc1	408950631	UAJOYPYKORYRQF-WKIKZPBSSA-N	510.319	5.116	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	408953177	WXCXTMZFDNKGPB-MHZLTWQESA-N	740.891	6.873	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1	408958607	ZLLDOFKYGCTDBH-VYYCAZPPSA-N	501.808	6.153	50	40	KKGB	
Cc1cccc(Cn2c(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c3ccccc32)c1	408964126	OUJMGXRDLJTMLF-HNVIPBPISA-N	607.582	7.062	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1C#N	408981859	DDSZQMJXSXDBBJ-JMIUGGIZSA-N	536.813	6.416	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1Cl	408986073	ZIQQVHNRTIOLMH-IUXPMGMMSA-N	597.667	7.685	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc2ccccc2c1	408990924	PADCCOWESHODIS-MTDXEUNCSA-N	537.059	8.054	50	40	KKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)c3ccccc32)c1	408995060	IIYIIOBEGWXUTG-KKMKTNMSSA-N	541.243	5.993	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408999658	RVQNDCVHYUXCQV-LUOAPIJWSA-N	587.095	6.870	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br	409010143	AGCITTOUSLSKGX-KUYOTNAYSA-N	664.222	6.532	50	40	KKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	409025073	LFZZYCNVVDGEHM-VGSHQSRASA-N	565.095	5.845	50	40	KKGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c2ccccc2cc2ccccc12	409028649	PDCRQERZAFADKD-ZCTHSVRISA-N	528.033	5.992	50	40	KKGB	
Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2Br)cc1	409038852	VYRQVDJNYSBTRS-HQDYHJHZSA-N	629.352	8.078	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCC(=O)O	409039366	GKCGZJJRUMOEHR-FDVSRXAVSA-N	503.942	5.181	50	40	KKGB	
O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409041053	JABNNLSCKWNJNZ-ATZGPIRCSA-N	557.050	7.689	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCc1ccc(Cl)cc1Cl	409069791	WQXAQODAZATWER-LPYMAVHISA-N	507.417	7.164	50	40	KKGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	409071173	IIYLNPSLRFPVTG-XQNSMLJCSA-N	537.037	5.458	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCc1ccc(F)cc1	409103300	GKXHCSSBLDRKLY-HSZRJFAPSA-N	525.330	5.123	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1ccc(Cl)cc1Cl	409110801	GUQVRHQKKDNAGX-MHDJOFBISA-N	631.513	5.657	50	40	KKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)c(Br)cc1OCc1ccccc1	409148418	PRZACMBYUJSYBN-HHHXNRCGSA-N	580.523	5.809	50	40	KKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Br)c(C)c1	409155502	QEGSWEOSXGJANP-IPPBACCNSA-N	616.310	5.189	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C(F)(F)F	409157458	VOAQCODMPJBGAL-JJKQSNDFSA-N	625.373	5.112	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)cc2c1	409186853	IQJQWFJYWSXPJH-NUJZUDFISA-N	513.377	6.490	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCc1cccc(F)c1	409193642	KRJQUNSHFLNUMC-UVHMKAGCSA-N	552.771	5.825	50	40	KKGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccccc2)cc1	409225621	QDGVODDXXJEIFH-QJCZOIEMSA-N	538.003	5.904	50	40	KKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)c1ccccc1	409233158	REKCADDPDKMPIR-HBAFHOPNSA-N	558.419	6.808	50	40	KKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)cc1)c1ccccc1	409242238	WAEXKFAWCQYWJA-OSVNEOKWSA-N	508.359	5.655	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	409253831	GZDGEPUKHJETSM-LICLKQGHSA-N	587.243	6.222	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C	409256480	OTIVFGCVDBPQJU-XDHOZWIPSA-N	538.829	6.283	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)c(Cl)c1	409261385	BDSYZKVNXCTUEL-CAFFOWHZSA-N	544.410	5.613	50	40	KKGB	
O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	409262274	GKSNISQCWWWWLW-QORIIEMTSA-N	544.808	5.324	50	40	KKGB	
COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c1	409264319	OVEKMVLIQXIVCN-NVJOKUIPSA-N	520.800	5.745	50	40	KKGB	
COc1cccc(C(=O)Nc2ccccc2SSc2ccccc2NC(=O)c2cccc(OC)c2)c1	409269948	MMDUFYACDRQFEW-UHFFFAOYSA-N	516.644	7.008	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409272742	RZLPQDQKMJIKSV-YBFXNURJSA-N	505.958	5.234	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1OCC	409304452	QUQANTKWZZZLIT-GXBUFBABSA-N	650.513	7.150	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1OC	409318296	VKVFDINZMZQKGA-UHBFCERESA-N	575.887	6.642	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1OCC	409319900	NJGPYKIJUBGWSP-MBTHVWNTSA-N	541.398	5.288	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1OCC	409321694	GZWDWFZJFKIZCF-RGXNXFOYSA-N	512.606	6.379	50	40	KKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1OCC	409322554	LWDRDPIXCUWZDR-MWLSYYOVSA-N	509.990	5.227	50	40	KKGB	
COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1	409325122	WZXZLNBFJDMJNL-DLCNMLRHSA-N	636.930	6.780	50	40	KKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2Cl)cc1OCC	409328199	ZWQXGSXOJFVXPJ-MWLSYYOVSA-N	501.410	6.524	50	40	KKGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1OC	409334052	REBLLSJSXBGHIB-ZRGSRPPYSA-N	632.714	5.414	50	40	KKGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cc(Br)ccc2O)Cc2ccc(Cl)cc2)c(C)c1	409368689	HYKJWFOEBDIEEU-QDTIIGTASA-N	578.916	5.075	50	40	KKGB	
N#C/C(=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccc(I)cc1	409369850	ZYRIMRVEIHWTKG-MFOYZWKCSA-N	723.517	7.797	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1OCc1cccc(F)c1	409373188	OGFGKUJHNCUABL-WCMJOSRZSA-N	598.412	6.334	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1I	409383718	CHAFGMLYZMIOGY-RDRPBHBLSA-N	549.412	5.085	50	40	KKGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br	409384635	DXNZGZHVVCGGIT-ZVBGSRNCSA-N	527.194	5.497	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1	409386759	RUBOIYWWBDCRDR-AMVVHIIESA-N	639.325	7.831	50	40	KKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)[nH]c2c1	409393183	VGRJBSILEVNJLE-IUXPMGMMSA-N	535.354	5.894	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1cccc2ccccc12	409394326	YVYRNXSEYZYFFF-QRVIBDJDSA-N	502.383	7.783	50	40	KKGB	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(C)=O	409395640	QDWPESYFPXLCQW-UHFFFAOYSA-N	774.249	8.584	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(Cl)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409396104	AHXBCVYMXAEIIS-UHFFFAOYSA-N	640.445	8.542	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(Cl)ccc1OC	409396535	VZYCVMZRJOJBJO-UHFFFAOYSA-N	586.019	7.018	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409396679	ABFIQWYKCDZAJM-UHFFFAOYSA-N	552.030	7.097	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2	409397493	KLHSXIDGFQTBDM-UHFFFAOYSA-N	596.039	6.907	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1)c1ccccc1Cl	409397657	MKFNMUGBHJLZMU-UHFFFAOYSA-N	572.846	7.234	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c(Br)c1OCc1ccc(C(=O)O)cc1	409406101	WAFLMEMMGJJRPH-ADJDCTSUSA-N	751.428	7.841	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OC(=O)/C=C/c3ccc(Cl)cc3)o2)cc1	409408801	LPWUVCVEGXSUOS-PDZWXKKZSA-N	672.963	8.065	50	40	KKGB	
CC(C)Cc1ccc(-c2n[nH]c3c2[C@H](c2cc(Br)c(O)c(Br)c2)C(C#N)=C(N)O3)cc1	985877	WLLJBHWFNUUMDY-GOSISDBHSA-N	544.247	5.724	50	40	KKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccccc1Cl	9235316	YBDPWRSTRDYATE-YUMHPJSZSA-N	502.471	6.390	50	40	KKGB	
COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)c1	20220910	GZIPGWGTQBNCJO-DEDYPNTBSA-N	503.480	6.041	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1	20348686	LWTLGQPRHVZMFE-NDEPHWFRSA-N	526.637	6.149	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3cccc(C)c32)ccc1O	28464469	DVQDGUZAZFIVAF-PPOKSSTKSA-N	517.629	6.928	50	40	KKGB	
O=C(Nc1ccn([C@@H]2C[C@H](I)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1	82186415	OLTSJGCPXISYSI-GCRSFRQPSA-N	683.546	6.595	50	40	KKGB	
CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@H]1c1cccc(OCc2ccccc2)c1	97940085	QDMWISHTUMXZCA-MUUNZHRXSA-N	566.683	5.875	50	40	KKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)cc2c1	97960976	LXTQILZFLKHFLC-XAZZYMPDSA-N	561.849	7.533	50	40	KKGB	
CCOc1cc(/C=C/C(=O)NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C(C)(C)C)cc1	97980621	TXQDKBMPFGSDHM-HYARGMPZSA-N	690.262	6.667	50	40	KKGB	
C/C(=N\NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1	97981205	KNQWZVIECZSPPJ-UZWMFBFFSA-N	551.043	5.419	50	40	KKGB	
Cc1nc2ccccn2c1[P@](=Nc1ccccc1C(F)(F)F)(Oc1ccc(Br)cc1)c1ccccc1	97984562	QMISTFKUOUANCB-PSXMRANNSA-N	570.349	7.902	50	40	KKGB	
CCSc1oc(-c2ccccc2Cl)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97990134	KCPLXJDDBIPGIS-UHFFFAOYSA-N	501.011	6.726	50	40	KKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	97999784	JFHBFILFDVXYTL-WJOKGBTCSA-N	616.139	6.725	50	40	KKGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	98001646	SRISPRAVOYUJGA-KKMKTNMSSA-N	641.110	5.731	50	40	KKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)OCC)=C(c3ccccc3)N2)=C(C#N)[C@H]1c1ccccc1Cl	98045720	KFTZEBZDTAILEQ-HJWAMQHWSA-N	805.809	9.910	50	40	KKGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3Br)c2C)c1	100100523	GDAASMZQDRORSP-KKMKTNMSSA-N	563.359	6.619	50	40	KKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)c2C)c1	100124679	BZFLIIJNNVMRTI-BIZUNTBRSA-N	542.705	5.673	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1	100128383	BLBUWFRKLJOCCF-STBIYBPSSA-N	566.039	5.001	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccc(F)cc1	100855282	AZSYILXOULJEKT-JVWAILMASA-N	524.419	5.468	50	40	KKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1OC	100877249	TYYMXIBVOUJIDF-RCCKNPSSSA-N	534.634	6.334	50	40	KKGB	
Cc1ccc(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1	100935140	WPBUBAQYARVCRT-JPMMUQAJSA-N	546.026	5.615	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1	100989509	OCCIUYDZUSTTNG-CKVBZJJFSA-N	583.851	6.076	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1	100991386	VXGIMLPQTSFVBX-UTDQILSNSA-N	530.383	6.337	50	40	KKGB	
CCOc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3cc(C)ccc3C)=C(C#N)[C@H]2c2ccco2)cc1	102808314	YYAAAUCBKXEBEW-NDEPHWFRSA-N	542.661	6.002	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1	102809874	JQYZXCVWRWYBGQ-MHZLTWQESA-N	529.065	6.355	50	40	KKGB	
Cc1ccccc1NC(=O)CC(=O)NN[C@@H](Sc1ccccc1)c1cc(/N=N\c2ccc(Br)cc2)ccc1O	104303888	QZOIWWKNCPHBQV-FLPWOSLYSA-N	604.530	7.319	50	40	KKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	104698869	FOSCFZOBQZSBMV-XJGNFJNRSA-N	525.674	6.073	50	40	KKGB	
OP1(=S)Oc2c(-c3cc(Cl)cc(Cl)c3)cc3ccccc3c2-c2c(c(-c3cc(Cl)cc(Cl)c3)cc3ccccc23)O1	169807268	WIBYKZHXRJDMBB-UHFFFAOYSA-N	654.338	11.596	50	40	KKGB	
CCCCCCCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC	408538207	KEBMLQJQWZKIPY-QLQYKETESA-N	684.100	9.872	50	40	KKGB	
COc1cc(COc2ccc(Br)cc2/C=N\NC(=O)c2ccccc2)ccc1OCc1ccccc1	408540175	OCGLEJGOMUYWPR-MNBJERMJSA-N	545.433	6.380	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c(C(=O)OCC)c1C	408546102	DCXACKJNBGWYDN-JAIQZWGSSA-N	548.617	5.265	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCc1cccc2ccccc12	408598448	AQUDMRGQSWIGCR-KCSSXMTESA-N	592.477	7.093	50	40	KKGB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408646227	ILFSFPHFLIZIML-LGJOHJSGSA-N	783.684	6.884	50	40	KKGB	
CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	408673783	VHOSCBMLZVRMSP-NCYKPQTJSA-N	562.302	5.490	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccccc1Cl	408743221	FFQIQMNENGOVAQ-ODLFYWEKSA-N	511.803	6.544	50	40	KKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2Br)c1	408747479	OOFHWWPFYDAEJK-ZDLGFXPLSA-N	560.673	7.298	50	40	KKGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1	408753318	GIEYXIQGMSBRLE-QUCVJYLXSA-N	715.486	5.439	50	40	KKGB	
N#C/C(=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408755192	QCECZGIFUNYSFS-GDNBJRDFSA-N	562.785	5.324	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408758564	MSSGLYPZEPGUTO-FJEPWZHXSA-N	599.425	5.636	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12	408758841	SGNCKXGRZROVPV-PDCOQUBPSA-N	652.611	6.342	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(I)c1	408759267	AVQTXRLLNGMKDG-OQLLNIDSSA-N	654.236	5.275	50	40	KKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)C(=O)Nc1ccc(Br)cc1	408764830	NJFFASLSCZRQSX-LGMDPLHJSA-N	602.226	5.617	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(C)cc2)c1	408768897	LHTFONREHQEAIG-UZWMFBFFSA-N	537.641	5.656	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(I)c1OC	408776835	RDCIZOXLEZWEDL-ATVHPVEESA-N	519.383	5.090	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccc(C)cc2)cc1OC	408784581	VELBLKPJAPUWLB-UHFFFAOYSA-N	543.730	5.984	50	40	KKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)cc1	408791700	BCMPFRWITZWMOU-LFVJCYFKSA-N	558.419	7.131	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408793144	NNYWKWQBMFBRCH-VXLYETTFSA-N	569.355	5.641	50	40	KKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(I)c1	408793452	OWVCAYRFYGYLOS-KEBDBYFISA-N	553.787	6.249	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408793459	OYPCQSJUJFMDFL-DJKKODMXSA-N	607.275	7.348	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc2ccccc2c1	408794476	IPDPAQKEIGYPCI-CVKSISIWSA-N	555.472	7.743	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	408797693	SNCOJVKTJAZMDS-GIJQJNRQSA-N	545.806	6.567	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1	408799432	ZGYMCMMYHKTUCF-DEDYPNTBSA-N	539.813	6.404	50	40	KKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1Cl	408816743	WOLYVGLBPGIMPK-JLHYYAGUSA-N	549.208	6.815	50	40	KKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)c(C)c2)cc1	408817108	SXMHPXXXPBCBQJ-OEAKJJBVSA-N	533.422	6.367	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccccc1F	408817756	MBNZFTZMNFWBCK-SXGWCWSVSA-N	548.181	6.614	50	40	KKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(Br)c2)cc1	408819826	UDTQOQALOAPKIB-JAIQZWGSSA-N	511.803	5.913	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N\NC(=O)c3c(C)nc4cc(C)ccn34)o2)Cc2ccc(Cl)cc2Cl)cc1	408828083	NGWNGCLYHJMORU-BJUCDSOZSA-N	624.550	6.314	50	40	KKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OCc2ccc(C)c(C)c2)c1	408837168	ZNKXUIAJVJVGDT-WPWMEQJKSA-N	597.509	7.778	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)c(OCc5ccccc5)c(Br)c4)cc3)cs2)cc1	408839748	WENFYFCWMQDVNL-KVAAJVFYSA-N	676.434	8.730	50	40	KKGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408843569	MDPHFRSLLYRVQH-ATZGPIRCSA-N	632.923	7.553	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Br)ccc4OCc4ccccc4Cl)cc3)cs2)cc1	408848827	WGJFVOJYHSXQQQ-KVAAJVFYSA-N	631.983	8.621	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1F	408854122	YEDCVBQOXTXADS-DBSPGSINSA-N	626.526	8.096	50	40	KKGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)N[C@H](C)c4ccccc4)cc3)cc2)CC1	408860770	DSYUWDRPBCQGPH-QCYJSCSSSA-N	605.739	5.038	50	40	KKGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)c(C(F)(F)F)c1	408861589	SZMSMYLWWRFOAI-ORBVJSQLSA-N	568.788	5.842	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	408869970	RKSCEXZZIHRCLY-QMBVZLLKSA-N	596.920	5.538	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OC(=O)c1ccc(OC)cc1	408878619	ACXRBFKIPNNRAI-LDADJPATSA-N	647.263	6.226	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OC(=O)c1ccccc1	408885223	YKRIIRYRYDZQEI-LDADJPATSA-N	535.350	5.311	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408889577	FMHPAXOJGOJKFO-LICLKQGHSA-N	591.245	7.187	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408922656	QCTNDMXRKCPTEZ-ZSNJKBEMSA-N	629.060	6.347	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1c(Cl)cccc1Cl	408923521	JGARPIDSTIHHPS-XMHGGMMESA-N	507.804	7.925	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408939660	BCMRYLWWQHMVLL-NDEPHWFRSA-N	692.021	6.119	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OCc3cccc(F)c3)cc2)c1C	408942647	GKVRNQIFGCGCQE-UMSFTDKQSA-N	669.779	5.697	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)c(OC)c1	408949221	FCEMXVQVEQQQIK-UIGQDENISA-N	838.437	5.512	50	40	KKGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1	408969222	JLXNEBUPIOKQNL-BQSNHMCDSA-N	654.978	6.880	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(F)cc2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408997940	PCQRQOYOMKAIMO-SXGWCWSVSA-N	586.082	8.309	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC	409005324	HSOXSWLMLMGRGI-WCMJOSRZSA-N	612.963	6.176	50	40	KKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1	409012049	HJKQBCUVPGFZBY-BIDUXAHPSA-N	575.449	5.919	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCc1cccc(C)c1	409019231	ZNQXLZVMZJELLB-QDTIIGTASA-N	527.802	6.509	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OCc1ccccc1F	409035339	PLXAXVJSNRLTAQ-MWBNBJEGSA-N	601.103	8.088	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCc1ccccc1	409039547	GYNSLHLBUGJGKW-APTWKGOFSA-N	522.004	6.907	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OCc1cccc2ccccc12	409039637	CUNJJAAZTLOOOW-KPGMTVGESA-N	658.334	6.747	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Br)c1OCc1ccccc1F	409039730	XJYXDAZTOOYKTF-MWBNBJEGSA-N	645.554	8.197	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1	409041016	HYEIBFYSCMMRNL-CPNJWEJPSA-N	520.383	5.329	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(OC)c(Br)c1)S(=O)(=O)c1ccc(Cl)cc1	409109406	DEFSWDLWGNXXQM-OGLMXYFKSA-N	594.915	5.246	50	40	KKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1	409112900	CPMDLHXUMMPTEW-NUJZUDFISA-N	568.493	5.894	50	40	KKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)Nc1ccccc1Cl	409186612	FNLRXRRQMVOREX-BOPFTXTBSA-N	546.646	6.990	50	40	KKGB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)c1	409256380	ONIVJLGEIGQONA-UDWIEESQSA-N	506.356	6.056	50	40	KKGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	409260044	JUEQTQWFGDVGGL-KKMKTNMSSA-N	643.117	5.957	50	40	KKGB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	409260443	QIQJAQDWTOLBEW-MFOYZWKCSA-N	614.250	5.991	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409264904	LROLFVMYDSLIPC-NVMNQCDNSA-N	613.852	6.281	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1C	409266125	JTZHWUZDSTWDQD-GIJQJNRQSA-N	562.375	7.192	50	40	KKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Br	409267658	WTABIIUELMOJCY-BKUYFWCQSA-N	518.411	5.938	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(=O)Nc5ccccc5C)c(Cl)c4)cc3)cs2)cc1	409273627	ZOUMNOWMXFJFEI-AEUUOICLSA-N	610.139	7.605	50	40	KKGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1	409311238	DYNPIAXSJBNRHQ-VQTJNVASSA-N	677.293	5.349	50	40	KKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)ccc1OCc1ccccc1	409324715	VCINVAJBLQOSDS-VHFSBPNMSA-N	672.403	8.475	50	40	KKGB	
N#C/C(=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)cc1	409351538	UCDMTGKSHWTVDB-MFOYZWKCSA-N	538.066	8.162	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12	409362732	JYNHAKFCSDDGAD-MUFRIFMGSA-N	550.396	6.104	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(F)c1	409371324	GYBXFSHDCMXAJT-LSCVHKIXSA-N	530.293	5.990	50	40	KKGB	
O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	409380227	KXRRRHJYXLWTPK-UXHICEINSA-N	681.325	5.328	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1OCc1ccc(Cl)cc1Cl	409385956	MTGNILADLBSDGJ-IBBHUPRXSA-N	584.481	7.586	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(C)cc3)[nH]c12	409394611	CTPIHYTWSOAFJV-UHFFFAOYSA-N	695.795	8.313	50	40	KKGB	
O=C(Oc1ccc(Br)cc1C=NNC(=O)c1[nH]c2c(Cl)cc(Br)cc2c1-c1ccccc1)c1ccccc1Cl	409394752	FJZQTAJGRANEOM-UHFFFAOYSA-N	686.187	8.650	50	40	KKGB	
Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	409395879	STCFOJDEGZVSEZ-UHFFFAOYSA-N	597.425	6.797	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3ccc(I)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(OC)c1	409396168	DJIMCCOJWPSSKI-UHFFFAOYSA-N	693.925	7.483	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409398176	RNOLWURWPQHJEF-UHFFFAOYSA-N	538.003	6.788	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1	409398561	UNLPTLJXCZXXNW-UHFFFAOYSA-N	548.986	6.352	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1Cl)c1ccc2c(c1)OCO2	409399297	ZDICCKQBTALGEQ-UHFFFAOYSA-N	606.849	7.507	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)cc1OCC(=O)Nc1ccccc1	409400025	BBCCQRACMHLNTK-CLHYIUPASA-N	685.575	7.209	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)o2)cc1	409403154	LYMOZZDPSJBNRM-YNFMAFFXSA-N	556.402	5.800	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1	1529548193	YUNABGRWHUBUSD-IMBFNDCQSA-N	879.342	6.667	50	40	KKGB	
COc1ccc(-c2csc(-c3ccccc3)n2)cc1/N=C/c1ccc(N(CCCl)CCCl)c(OC)c1	1699706	XRFDMUNUAVTVLX-FDAWAROLSA-N	540.516	7.529	50	40	KKGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1	1897199	YTHHDPSDEGFEKG-BRJLIKDPSA-N	559.536	5.997	50	40	KKGB	
CC(C)(C)c1ccc(-c2cc(C(=O)NNC(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1	2105589	FWFQFAJYOCZQIE-UHFFFAOYSA-N	507.421	6.973	50	40	KKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc(C(=O)OC)c1C	2438868	OTTPVZLEBVSKIQ-XFXZXTDPSA-N	522.435	6.427	50	40	KKGB	
O=C(N/N=C/c1cn(-c2cccc3ccccc23)nc1-c1ccccc1)c1ccc(COc2ccc(Cl)cc2)cc1	2750753	HWJLZKXCEJSONC-QLQYKETESA-N	557.053	7.689	50	40	KKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl	3329126	NIBHZDHLPULSSI-XSFVSMFZSA-N	528.962	6.149	50	40	KKGB	
O=C(CCCCCCCCC(=O)N/N=C/c1cccc2ccccc12)N/N=C\c1cccc2ccccc12	8616926	QOXULTXUMQBZSL-HUMGCQOQSA-N	506.650	6.714	50	40	KKGB	
CCc1ccc([C@@H]2C(C#N)=C(N)OC(CSc3nc(C)c(C)c(C)c3C#N)=C2C(=O)OC(C)C)cc1	8934633	BMTBQDNFOLFSQP-XMMPIXPASA-N	502.640	5.247	50	40	KKGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1	9272128	BMIDIKMAHHDTFR-IEQIIXMPSA-N	511.603	5.237	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N1	9311055	FEFFQHLRYVUWHX-DEOSSOPVSA-N	521.067	6.108	50	40	KKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(Oc3ccc(Cl)cc3Cl)nc12	9501739	QALJNONYERRNOZ-RVDMUPIBSA-N	505.386	6.776	50	40	KKGB	
CCOc1ccc2nc(N3CN(CCCl)CN(c4nc5ccc(OCC)cc5s4)C3)sc2c1	21267012	ZWBXRFLQIVYMSI-UHFFFAOYSA-N	504.081	5.443	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccccc1	59336046	NXCKKAIVOVUKFL-JCMHNJIXSA-N	507.417	7.245	50	40	KKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)COc3cccc4ccccc34)c2C)ccc1I	97960979	CLOWJJUHBFUONC-RWPZCVJISA-N	537.401	5.689	50	40	KKGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)cc1	97962820	GREDUHFRYUFHKZ-RPERFGLASA-N	594.693	5.251	50	40	KKGB	
O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1cccc(Br)c1	97964145	QIENIMMAPWZUJV-NDZAJKAJSA-N	529.390	5.055	50	40	KKGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1	97968699	SREWUJWEBUFOSB-UZEPBSNMSA-N	562.489	5.243	50	40	KKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1	98001597	GYDUYCLTZHERRG-WPWMEQJKSA-N	554.323	7.201	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccccc1F	98087097	XBIMAXJZGDBHIL-DPNNOFEESA-N	523.564	5.422	50	40	KKGB	
Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1)S(=O)(=O)c1ccccc1	100104560	JDLNIVABKWZCOJ-FDAWAROLSA-N	562.047	5.506	50	40	KKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)c2C)sc2c1CCCC2	100209838	PGZDUXFOYQDNCR-LDADJPATSA-N	542.488	7.064	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1	100227828	DABQAVDRFYVPOT-ZDLGFXPLSA-N	593.248	7.121	50	40	KKGB	
N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1	100836921	ROEDQMWMNRAZCM-UTDQILSNSA-N	528.848	6.712	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1	100955576	AVVHVGUABIMRTB-FABQOPTDSA-N	586.035	6.827	50	40	KKGB	
O=[N+]([O-])c1ccccc1SC[C@H](Br)[C@@H](Br)CSc1ccccc1[N+](=O)[O-]	101051484	AFOPXBFBUHKWMU-RYUDHWBXSA-N	522.240	5.914	50	40	KKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(OCC)cc3)=C(C)N2)cc1	102808121	HHNWOYSKLQNJFC-MUUNZHRXSA-N	558.660	5.784	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1	102808761	ALAQBSLFNRZCFG-NDEPHWFRSA-N	557.119	6.972	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Cl)c1OCc1ccc(F)cc1	102932960	UWUFDSJWTABDQC-LZYBPNLTSA-N	539.312	7.285	50	40	KKGB	
CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528257	AVPMSFGFFKZPPF-NSHDSACASA-N	550.234	8.424	50	40	KKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)cc1	103889475	BZCSMQWOWLYOGK-MFOYZWKCSA-N	550.667	7.842	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	103897180	UESAMRKHSPACAP-HNSNBQBZSA-N	608.116	5.590	50	40	KKGB	
c1ccc(P2(c3ccccc3)=NP(c3ccccc3)(c3ccccc3)=NP(c3ccccc3)(c3ccccc3)=N2)cc1	104129958	FUGJJMVGGAWCAU-UHFFFAOYSA-N	597.579	8.302	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1c(Cl)cccc1Cl	104898966	ACZVUWQGOFTDQR-XODNFHPESA-N	520.800	5.713	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	105437548	OXSDTIZFXUWRHZ-STKMKYKTSA-N	575.090	5.636	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342314	NYJNXKGZEHMBBC-REOHCLBHSA-N	942.051	11.564	50	40	KKGB	
Cc1noc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N/c4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3OC(=O)C(Cl)Cl)cc2)c1C	150393435	OPNGCYBHSAUFRE-OLEBYEQSSA-N	937.628	9.933	50	40	KKGB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccc(Br)cc1)N2	150434681	ITEUNMLJIJCQRD-LAMIVESZSA-N	694.003	8.402	50	40	KKGB	
FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	169795325	SVRSPLNTOMLROL-RKDXNWHRSA-N	716.073	8.990	50	40	KKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(I)cc1	216048307	BVMBNOLKJSVDQO-JFLMPSFJSA-N	528.390	5.188	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	216048788	MOABFYRGKHHCSF-AMVVHIIESA-N	564.307	7.043	50	40	KKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2I)c1	408570354	UGJILMORFCTDHF-ZDLGFXPLSA-N	509.322	6.258	50	40	KKGB	
O=C(NNc1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408604330	ICZRMHACCHIPFU-MRXNPFEDSA-N	504.801	5.722	50	40	KKGB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408646888	JBDMFFHYXPQUIC-LGJOHJSGSA-N	759.791	5.485	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccc(Cl)cc1	408719988	UPMCIGAOIIEHNQ-UYKHCAHWSA-N	531.999	5.307	50	40	KKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408736879	BGSRDDJYRHCTDN-DHRITJCHSA-N	526.437	5.520	50	40	KKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1Br	408740141	ITBPZHCWQLGITD-UVHMKAGCSA-N	565.693	6.601	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1	408743575	BEZLTYJHJXJCFU-YVLHZVERSA-N	576.672	6.998	50	40	KKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	408754413	QOZWZGSAOFXRDV-PXNMLYILSA-N	611.117	7.652	50	40	KKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl	408754446	KIURFYKTUDSBHQ-FOWTUZBSSA-N	545.220	6.319	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Br)c1O	408766203	PQDMVINQGCRSIP-RWPZCVJISA-N	519.480	5.937	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OCc1ccc(F)cc1	408775083	YSIIKCWZSRYUMN-MOSHPQCFSA-N	585.417	6.020	50	40	KKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1	408788516	KOYIAYUVGYBWPK-VCHYOVAHSA-N	604.682	6.776	50	40	KKGB	
N#C/C(=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Cl)c1	408792781	CFMDLPOGRUHEIQ-LZYBPNLTSA-N	658.636	6.813	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1cccc2ccccc12	408794062	HHTKXEZPEFHLNF-YDZHTSKRSA-N	575.890	8.088	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OCc1ccccc1	408821930	AMZXZMFHEULAOS-BUVRLJJBSA-N	603.900	7.815	50	40	KKGB	
N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1	408823995	GLPGUGCMIPYDDP-KOEQRZSOSA-N	658.379	9.613	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408833780	YGCSXBPSAPPXIX-MHDJOFBISA-N	722.401	6.597	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408835964	ZYYBEHJLKBUOKV-WSDLNYQXSA-N	628.339	9.012	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1	408838793	IMIKIGUXFZZIRS-KULFSUQXSA-N	753.018	8.252	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Br)c1OCC(=O)OC	408839077	MQDSDCYSFFJSGP-XAZZYMPDSA-N	643.947	6.684	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2ccccc2c1	408845527	KGYQZLQCIFSAFB-CKJBABAKSA-N	565.673	7.957	50	40	KKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)cc3)cs2)cc1	408845916	PWGBIEGCYUENKG-MHDJOFBISA-N	574.537	8.340	50	40	KKGB	
O=C(N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408859709	PRGUPJNIJFTXOM-ICLYNSGKSA-N	626.960	6.138	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1Cc1ccccc1Cl	408867580	IZMAOVHZMIDBGS-VCHYOVAHSA-N	540.801	6.546	50	40	KKGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408876117	NCCDPIOPOSBXLR-CNCDYAKUSA-N	633.941	6.028	50	40	KKGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	408878239	YREPQJCNXRDHIN-BIZUNTBRSA-N	574.703	5.074	50	40	KKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408878967	CAAYYCSNPYWYIM-LHHJGKSTSA-N	616.082	8.096	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1Br	408882285	OIBBDCNHDWXLRV-CIAFOILYSA-N	631.308	7.194	50	40	KKGB	
N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc2ccccc12	408886825	JDJSTPFOQQIWGX-UDWIEESQSA-N	596.706	8.143	50	40	KKGB	
Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3cccc4ccccc34)cc2I)cc1	408887607	PICNVCRCXWHJQZ-WKULSOCRSA-N	646.266	6.700	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc3ccccc23)c(OC)c1	408891199	MXJNKYQKOUHLFH-XSFVSMFZSA-N	523.501	5.530	50	40	KKGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OC	408891317	OMBDZMXKGVKSSM-RIYZIHGNSA-N	632.090	6.244	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OC(=O)c1cccc2ccccc12	408899222	OFBHCBWWYNASAN-FYJGNVAPSA-N	600.425	6.983	50	40	KKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1	408923492	IXJTUYWIAZGMQZ-VFCFBJKWSA-N	647.647	7.645	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OCc1ccc(F)cc1	408924725	NWWWZVWUBRWWHD-LICLKQGHSA-N	562.766	6.217	50	40	KKGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408947552	NXHXFTBBFRDLJI-HKBQPEDESA-N	664.615	6.190	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCc1cccc(C)c1	408983360	LOTBXGLGHILQTC-CIAFOILYSA-N	539.857	7.243	50	40	KKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1	408987099	AHPJJIFPOFUJLH-XDHOZWIPSA-N	616.080	7.078	50	40	KKGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1	408993451	DBAWVLYRZHHJQC-MFOYZWKCSA-N	636.171	8.663	50	40	KKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1	409004578	DPPJWGJBAFBICZ-FJEPWZHXSA-N	566.938	6.286	50	40	KKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	409018420	HHRWYVUQNFQAFU-XOKHWMEBSA-N	563.701	8.907	50	40	KKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCc1ccccc1	409089194	HXHOPFDWERDYBG-LZYBPNLTSA-N	602.195	6.044	50	40	KKGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1	409110863	HIBZYOBZINRPBA-RDRPBHBLSA-N	528.074	5.382	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(F)cc2)cc1OC	409115945	JXSXFBHXRISQRJ-DPNNOFEESA-N	592.693	5.213	50	40	KKGB	
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1cc([N+](=O)[O-])ccc1O	409140659	LCKMDPMWGAZWNS-VJJHSDPTSA-N	637.446	5.030	50	40	KKGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Br)c(C)c2)cc1	409168326	MPJSHVJXJBCVJF-WCMJOSRZSA-N	660.363	5.805	50	40	KKGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1OCC	409221954	BVTFZMNNMAJMMB-DICXZTSXSA-N	556.369	5.138	50	40	KKGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409225007	LMYBIOIVEICZNW-VWKXKJJJSA-N	557.528	6.340	50	40	KKGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)c2)cc1OCC	409226210	PUAKBHGYCPAETM-UHFFFAOYSA-N	565.626	6.028	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCc1ccc2ccccc2c1	409233905	ILFYMRJPFQLKQV-LBRHQESJSA-N	602.472	7.206	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409250012	KXZKPWHOZVUUPG-KEBDBYFISA-N	615.855	5.503	50	40	KKGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2)cc1	409255771	ITGVLJYNEJISNL-FABQOPTDSA-N	596.112	7.297	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409267423	UQYLLZZKBJZAEW-CDLBOOTPSA-N	688.637	8.657	50	40	KKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1OCC	409315425	IUPCWSAKRXMYCQ-MWLSYYOVSA-N	588.296	6.518	50	40	KKGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC	409366565	WGGSDTOEDPCRTP-MUXKCCDJSA-N	503.382	5.291	50	40	KKGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	409371530	KTIPBQDZEAMRRV-UNOMPAQXSA-N	512.303	5.851	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1ccccc1Cl	409375695	OASOVMPOEYBQJE-LFIBNONCSA-N	528.765	5.805	50	40	KKGB	
COc1ccc2[nH]c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c2c1	409395133	KGTFESIJJYFHRU-UHFFFAOYSA-N	681.768	8.005	50	40	KKGB	
COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc(C)cc3)[nH]c12	409396015	VGNGSYXJIMEOCO-UHFFFAOYSA-N	616.899	7.551	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	409397062	FTCFTLDTRTYDPO-UHFFFAOYSA-N	652.025	7.516	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	409397203	HJDIVPJMMIMEAH-UHFFFAOYSA-N	566.057	7.487	50	40	KKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)o2)cc1	409403622	NPXAUYSMZVXURY-ADJDCTSUSA-N	754.863	8.226	50	40	KKGB	
C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCc1ccc(Cl)cc1Cl	1529548489	HKRLIHQZABWNGM-LBEBILTRSA-N	667.615	6.186	50	40	KKGB	
COc1cc(Cl)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(=O)Nc1ccc(F)cc1	1531386412	JSBGTSCQGRGKIV-AEVGBRMKSA-N	645.087	6.849	50	40	KKGB	
Cc1nc(SCC2=C(C(=O)OC(C)C)[C@@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)c(C#N)c(C)c1C	1052113	BRSILQOHQUHUJB-QFIPXVFZSA-N	509.031	5.338	50	40	KKGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)cc1	1790151	RORBHVQZGPPQFT-YMGIJWJESA-N	536.426	5.962	50	40	KKGB	
Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C1C[C@H](c1ccccc1)CC2=O	2090578	MHUFIIFMKGFAPL-MYUZEXMDSA-N	545.426	6.909	50	40	KKGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1	2360248	MUKZOJSVLQOFDV-CKVBZJJFSA-N	504.409	5.514	50	40	KKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NCCCn1ccnc1	2396984	GEMXUXXEQCLENO-ZXVVBBHZSA-N	528.616	5.428	50	40	KKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCc2ccc(Cl)cc2)N1	9369832	YNOKWZMQLRYYKL-RUZDIDTESA-N	506.458	7.261	50	40	KKGB	
C/C(=N\NC(=O)CSc1nnc(CNc2ccc(C)cc2)n1-c1ccccc1)c1ccc2ccccc2c1	13882002	FDCVOPXXMXLFQU-WEMUVCOSSA-N	520.662	5.974	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1c(Cl)cccc1Cl	59224832	YJYJSSOEDUXKBY-RCCKNPSSSA-N	517.412	7.670	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1	59483966	XFXOABMTIOXJDH-XKZIYDEJSA-N	505.412	6.589	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cccc(Cl)c2C)cc1	59647384	XBPLIHVAWMSPBA-VTNSRFBWSA-N	567.086	5.849	50	40	KKGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21	98008284	SGFRDTOPNAIMOI-SSEXGKCCSA-N	522.967	5.418	50	40	KKGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	100123661	PVFCFCVYVMVYQD-STBIYBPSSA-N	566.039	5.001	50	40	KKGB	
COc1cc(OC)c(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c(OC)c1	100852210	VHSJNEOUTLRKMT-CAQPMQTCSA-N	573.719	5.808	50	40	KKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\C(Br)=C\c3ccccc3)n2-c2ccccc2)cc1	100854829	JOAOVYPNIFOUOA-ZDZWWMTKSA-N	532.467	5.873	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1	100925392	IFYLIBDUDXMBIS-FYAMCCBRSA-N	532.463	5.500	50	40	KKGB	
COC(=O)c1nc(-c2ccccc2)oc1NNC(=O)c1nc(-c2ccc(C)cc2)oc1Sc1ccc(Cl)cc1	102436084	RXSSFSPJUKBETK-UHFFFAOYSA-N	561.019	6.653	50	40	KKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1	102807422	PMNBWAYWEGUZSX-MHZLTWQESA-N	563.510	7.008	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2c(c1)OCO2	103890499	YAGSNXDQRXGHFT-IUXPMGMMSA-N	590.257	7.008	50	40	KKGB	
Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)Cc5ccc([N+](=O)[O-])cc5)(c5ccccc54)[C@H]3C2=O)cc1Cl	112255087	NOJPCJSJQHLRLX-SYKHQLQBSA-N	605.050	5.452	50	40	KKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](P(=O)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	118922909	CIDIPMDBMBDYOH-STTLZCLQSA-N	570.842	10.411	50	40	KKGB	
CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150341690	GQYXLOGNQMIOFM-HNNXBMFYSA-N	656.349	10.620	50	40	KKGB	
FC(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150342329	QRWLWVROVFUQBN-UWTATZPHSA-N	892.044	10.928	50	40	KKGB	
CC[C@@H](Br)[C@@H](Br)C[C@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)CCCCCCCC(=O)O	150344734	XIVWIZLTAYDHDS-IFTGGNMHSA-N	757.860	8.573	50	40	KKGB	
CC/C(=C(\CC)c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1)c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1	150381084	PHZLATABAGJPMW-MRNGAQBPSA-N	784.652	10.282	50	40	KKGB	
O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1cc2cc(Br)cc(Br)c2o1	209527300	QOUSJADVTYGOGY-ZMOGYAJESA-N	505.210	5.712	50	40	KKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC	408540038	MCTVNOSXBPGUQH-RGXNXFOYSA-N	583.523	7.158	50	40	KKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)cc(I)c2OCc2ccccc2)c(C(=O)OCC)c1C	408547199	UTPAXAPTBJPIGX-RGVLZGJSSA-N	769.395	6.917	50	40	KKGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br	408565789	AMBZKCUIWIJKRC-XGICHPGQSA-N	523.156	5.233	50	40	KKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(Br)cc1	408599659	YEWNUSQIBSZIRG-NVMNQCDNSA-N	533.647	7.517	50	40	KKGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(Br)c(Cl)c1	408689323	RXHNGDWDLNSUHT-DJDHSFSDSA-N	588.669	5.012	50	40	KKGB	
Cc1ccccc1C(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	408732655	TWLUUHVEPWGZLN-HWIUFGAZSA-N	534.457	7.646	50	40	KKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1	408743933	CPMUTHXFWLRRFM-NCELDCMTSA-N	578.897	8.773	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408752875	CXUDAQIIFKLWQF-LDADJPATSA-N	586.420	5.378	50	40	KKGB	
O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1Br	408754254	FVJDHCVVOLNZPQ-IPPBACCNSA-N	617.135	7.470	50	40	KKGB	
COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)sc2c1CCCC2	408768046	SITYQOJOBMJYOP-UNOMPAQXSA-N	508.043	6.329	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408771879	JUYMOHQQEHUCIA-MFOYZWKCSA-N	627.693	7.775	50	40	KKGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408785745	BLJKCQUQPDCEEW-XHLNEMQHSA-N	507.656	5.037	50	40	KKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1C	408791954	FRLBKHWRVFGBSQ-UDWIEESQSA-N	506.356	6.099	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc2ccccc12	408793865	GIYGVMZMPKGNMI-CIAFOILYSA-N	513.937	6.535	50	40	KKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)c1	408795443	LEYIOBCVQMLQRV-MFKUBSTISA-N	511.419	7.344	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCc1cccc(Cl)c1	408807488	CRZPFXXTIKNHBB-DJKKODMXSA-N	560.275	7.588	50	40	KKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1c(C)ccc2ccccc12	408811739	KRFXIZDINXXOQL-OEAKJJBVSA-N	541.445	7.352	50	40	KKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccccc1C#N	408819835	UFJJYYPHFVZVMH-JAIQZWGSSA-N	520.358	5.983	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1F	408820122	UBCZUIPPTOZQDD-MUXKCCDJSA-N	511.347	6.076	50	40	KKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc(Cl)c1OC(C)C	408823718	OOMIEJYOWCIGIX-FYJGNVAPSA-N	569.883	7.413	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1	408826126	KULXWCBOKAGHKL-IBBHUPRXSA-N	590.916	6.703	50	40	KKGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OCC	408830971	UEIIQOAFYOKGQR-UXHLAJHPSA-N	574.099	5.190	50	40	KKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Br	408833662	UJLHNAOZLSFJIG-WOJGMQOQSA-N	546.248	7.279	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc(I)c1O	408837998	BGOWMEZKLWYWBI-XODNFHPESA-N	618.884	6.680	50	40	KKGB	
COc1cc(/C=N/NC(=O)CN2CCCCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl	408841158	HZHKSWZVVUYSEL-RPPGKUMJSA-N	529.262	5.280	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1cccc([N+](=O)[O-])c1	408841774	LFKCDLPZODBXNZ-VWJSQJICSA-N	599.591	6.484	50	40	KKGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1	408843768	NOGNGGMGRGYWTQ-YPXUMCKCSA-N	652.708	6.710	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCc1ccc(C)cc1	408846085	XKBBSZQMVBAGJS-MHDJOFBISA-N	568.621	6.884	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408848499	WZRHBIUTVXFHDE-XJECJHNESA-N	707.006	8.619	50	40	KKGB	
Cc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)cc(C)c1OCc1ccc(Br)cc1	408850112	GEKHGAIEJPEHOO-LGJNPRDNSA-N	531.248	6.563	50	40	KKGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c2cc(Cl)cc(Cl)c2)cc1	408860565	YNZTXIHFAXLYNQ-KPGMTVGESA-N	603.959	6.708	50	40	KKGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408863781	QANMMDUKSCDXIN-STKMKYKTSA-N	619.541	5.746	50	40	KKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)c1	408865301	ABDMEOLIWLDVEI-SRZZPIQSSA-N	513.357	7.221	50	40	KKGB	
O=C(N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccnc1	408880586	JYWHSPUMLWRDOJ-WMDMUMDLSA-N	558.057	6.256	50	40	KKGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(C)cc2)cc1Br	408883951	WDTHVQPEQOARJF-IBBHUPRXSA-N	651.366	6.679	50	40	KKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c([N+](=O)[O-])c1	408885848	FVYAJIIZJIBDHO-FYJGNVAPSA-N	558.388	6.644	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1	408904796	OUEDOPYKQQFRTP-PPDIBHTLSA-N	558.772	6.108	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCc1cccc(C)c1	408922671	GJZSLSSAHPRFQI-MZJWZYIUSA-N	546.259	6.262	50	40	KKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1	408939290	IHYXDDPRGLZPMI-ZXSNDDASSA-N	503.577	6.935	50	40	KKGB	
Cc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408977415	DFYACEXJXKBFEM-RCEDPCOKSA-N	617.731	7.165	50	40	KKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc2c(c1)OCO2	408987570	FTTONCHHCMVFES-FBHDLOMBSA-N	565.851	6.993	50	40	KKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	408997011	KZBJHUKYKQXHCU-VWJSQJICSA-N	656.276	6.900	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008996	QHKTUQNOCMCQNS-RQRWGXNHSA-N	725.478	7.565	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c(Br)cc1OCC(=O)OC	409010721	DFNNMLJXJOYBEO-YCPBAFNGSA-N	680.087	5.277	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCc1ccc(Cl)cc1	409012247	KCXUSKAQRZWSLN-VFLNYLIXSA-N	653.698	7.195	50	40	KKGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCc1ccccc1Cl	409039181	QRRNPKZSXQKJMN-DPNNOFEESA-N	569.086	7.559	50	40	KKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1	409050188	SHRJCAGGBDVAMH-VCHYOVAHSA-N	590.699	7.388	50	40	KKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)cc1I	409050285	UAUVCHVYXQVYCB-KCSSXMTESA-N	584.461	6.986	50	40	KKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)cc(I)c1OCc1ccc2ccccc2c1	409089512	JJRHHFWTQPHMCL-UHBFCERESA-N	584.841	6.839	50	40	KKGB	
N#C/C(=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1	409091286	PEOLVFKJJOOFTK-XNTDXEJSSA-N	509.272	5.603	50	40	KKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1	409093134	YAHJTTIFCXJEPJ-MHWRWJLKSA-N	546.299	7.023	50	40	KKGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1)S(C)(=O)=O	409117400	NHQYFDNXMUKEGA-DPNNOFEESA-N	596.536	6.611	50	40	KKGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(I)c1	409124740	CJAXIJGAFLLBIE-OVVQPSECSA-N	595.890	5.297	50	40	KKGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(Cl)cc1	409129506	GIRGWFLSZKOHFC-QFIPXVFZSA-N	515.791	5.505	50	40	KKGB	
O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409222340	CHOMDMDOOJGKOT-UHFFFAOYSA-N	656.243	5.948	50	40	KKGB	
CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409225717	OGROJOMVRSODDL-STPVQZFWSA-N	668.659	5.654	50	40	KKGB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1C	409253913	YLZOCVSMEMFGHD-VCHYOVAHSA-N	599.279	6.097	50	40	KKGB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1C	409262959	KVQNUDRUHFGQEX-YLYVUXRMSA-N	767.931	9.130	50	40	KKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1OCC(=O)Nc1ccccc1C	409268349	ZEBGFUXQZUOVFM-ODNPBWNPSA-N	640.165	7.696	50	40	KKGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC	409312778	MLLCZZPDRQZDMQ-RHANQZHGSA-N	584.410	5.053	50	40	KKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1	409371841	ISZOLMBZIOAIIN-ZRGSRPPYSA-N	767.099	5.680	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OCc1ccc(Cl)cc1	409371974	KOCJMYIUAKBCLJ-MOSHPQCFSA-N	515.778	6.986	50	40	KKGB	
COC(=O)c1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409372313	MMNXWVBIWXYJAO-CPDSRJINSA-N	576.502	5.046	50	40	KKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409394150	WNTAGMPEIPWXGH-OCKHKDLRSA-N	544.320	6.380	50	40	KKGB	
N#Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)[nH]c12	409395611	PSZOQGGDWLNEAZ-UHFFFAOYSA-N	641.865	6.834	50	40	KKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1Cl)c1ccc(Cl)cc1Cl	409397207	HKAZUWVQOBUYTR-UHFFFAOYSA-N	641.736	8.541	50	40	KKGB	
COc1cc(C=NNC(=O)c2[nH]c3c(C)cc(C)cc3c2-c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	409397979	PWVIWSJDWJXQOM-UHFFFAOYSA-N	620.920	8.404	50	40	KKGB	
COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Br)c1OCC(=O)N1CCOCC1	409400267	NLVYHHVBMWNIBM-HQDYHJHZSA-N	665.541	5.039	50	40	KKGB